NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
469742 | 2aih | 7078 | cing | 4-filtered-FRED | STAR | entry | full | 453 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2aih # This FRED archive file contains, for PDB entry <2aih>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396. save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.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_2aih _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2aih _Assembly.Number_of_components 12 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 7847.33 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 $Bowman_Birk_type_protease_inhibitor__LCTI A . 1 1 2 . 2 $CHLORIDE_ION B . 1 1 3 . 2 $CHLORIDE_ION C . 1 1 4 . 2 $CHLORIDE_ION D . 1 1 5 . 2 $CHLORIDE_ION E . 1 1 6 . 2 $CHLORIDE_ION F . 1 1 7 . 2 $CHLORIDE_ION G . 1 1 8 . 2 $CHLORIDE_ION H . 1 1 9 . 2 $CHLORIDE_ION I . 1 1 10 . 2 $CHLORIDE_ION J . 1 1 11 . 2 $CHLORIDE_ION K . 1 1 12 . 2 $CHLORIDE_ION L . 1 1 stop_ loop_ _PDBX_nonpoly_scheme.Entity_assembly_ID _PDBX_nonpoly_scheme.Entity_ID _PDBX_nonpoly_scheme.Mon_ID _PDBX_nonpoly_scheme.Comp_index_ID _PDBX_nonpoly_scheme.Comp_ID _PDBX_nonpoly_scheme.Entry_ID _PDBX_nonpoly_scheme.Assembly_ID 2 2 CL 1 CL 1 1 3 2 CL 1 CL 1 1 4 2 CL 1 CL 1 1 5 2 CL 1 CL 1 1 6 2 CL 1 CL 1 1 7 2 CL 1 CL 1 1 8 2 CL 1 CL 1 1 9 2 CL 1 CL 1 1 10 2 CL 1 CL 1 1 11 2 CL 1 CL 1 1 12 2 CL 1 CL 1 1 stop_ save_ save_Bowman_Birk_type_protease_inhibitor__LCTI _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Bowman Birk type protease inhibitor LCTI" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code GDDVKSACCDTCLCTRSQPPTCRCVDVRESCHSACDKCVCAYSNPPQCQCYDTHKFCYKACHNSEIE _Entity.Number_of_monomers 67 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 GLY . 1 1 2 ASP . 1 1 3 ASP . 1 1 4 VAL . 1 1 5 LYS . 1 1 6 SER . 1 1 7 ALA . 1 1 8 CYS . 1 1 9 CYS . 1 1 10 ASP . 1 1 11 THR . 1 1 12 CYS . 1 1 13 LEU . 1 1 14 CYS . 1 1 15 THR . 1 1 16 ARG . 1 1 17 SER . 1 1 18 GLN . 1 1 19 PRO . 1 1 20 PRO . 1 1 21 THR . 1 1 22 CYS . 1 1 23 ARG . 1 1 24 CYS . 1 1 25 VAL . 1 1 26 ASP . 1 1 27 VAL . 1 1 28 ARG . 1 1 29 GLU . 1 1 30 SER . 1 1 31 CYS . 1 1 32 HIS . 1 1 33 SER . 1 1 34 ALA . 1 1 35 CYS . 1 1 36 ASP . 1 1 37 LYS . 1 1 38 CYS . 1 1 39 VAL . 1 1 40 CYS . 1 1 41 ALA . 1 1 42 TYR . 1 1 43 SER . 1 1 44 ASN . 1 1 45 PRO . 1 1 46 PRO . 1 1 47 GLN . 1 1 48 CYS . 1 1 49 GLN . 1 1 50 CYS . 1 1 51 TYR . 1 1 52 ASP . 1 1 53 THR . 1 1 54 HIS . 1 1 55 LYS . 1 1 56 PHE . 1 1 57 CYS . 1 1 58 TYR . 1 1 59 LYS . 1 1 60 ALA . 1 1 61 CYS . 1 1 62 HIS . 1 1 63 ASN . 1 1 64 SER . 1 1 65 GLU . 1 1 66 ILE . 1 1 67 GLU . 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 ASP 2 2 1 1 ASP 3 3 1 1 VAL 4 4 1 1 LYS 5 5 1 1 SER 6 6 1 1 ALA 7 7 1 1 CYS 8 8 1 1 CYS 9 9 1 1 ASP 10 10 1 1 THR 11 11 1 1 CYS 12 12 1 1 LEU 13 13 1 1 CYS 14 14 1 1 THR 15 15 1 1 ARG 16 16 1 1 SER 17 17 1 1 GLN 18 18 1 1 PRO 19 19 1 1 PRO 20 20 1 1 THR 21 21 1 1 CYS 22 22 1 1 ARG 23 23 1 1 CYS 24 24 1 1 VAL 25 25 1 1 ASP 26 26 1 1 VAL 27 27 1 1 ARG 28 28 1 1 GLU 29 29 1 1 SER 30 30 1 1 CYS 31 31 1 1 HIS 32 32 1 1 SER 33 33 1 1 ALA 34 34 1 1 CYS 35 35 1 1 ASP 36 36 1 1 LYS 37 37 1 1 CYS 38 38 1 1 VAL 39 39 1 1 CYS 40 40 1 1 ALA 41 41 1 1 TYR 42 42 1 1 SER 43 43 1 1 ASN 44 44 1 1 PRO 45 45 1 1 PRO 46 46 1 1 GLN 47 47 1 1 CYS 48 48 1 1 GLN 49 49 1 1 CYS 50 50 1 1 TYR 51 51 1 1 ASP 52 52 1 1 THR 53 53 1 1 HIS 54 54 1 1 LYS 55 55 1 1 PHE 56 56 1 1 CYS 57 57 1 1 TYR 58 58 1 1 LYS 59 59 1 1 ALA 60 60 1 1 CYS 61 61 1 1 HIS 62 62 1 1 ASN 63 63 1 1 SER 64 64 1 1 GLU 65 65 1 1 ILE 66 66 1 1 GLU 67 67 1 1 stop_ save_ save_CHLORIDE_ION _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 2 _Entity.Name "CHLORIDE ION" _Entity.Type non-polymer loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 CL $CL 1 2 stop_ save_ save_CL _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID CL _Chem_comp.Type non-polymer save_ save_CNS/XPLOR_distance_constraints_5_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 1 . . . 1 1 196 1 . . . 1 1 197 1 . . . 1 1 198 1 . . . 1 1 199 1 . . . 1 1 200 1 . . . 1 1 201 1 . . . 1 1 202 1 . . . 1 1 203 1 . . . 1 1 204 1 . . . 1 1 205 1 . . . 1 1 206 1 . . . 1 1 207 1 . . . 1 1 208 1 . . . 1 1 209 1 . . . 1 1 210 1 . . . 1 1 211 1 . . . 1 1 212 1 . . . 1 1 213 1 . . . 1 1 214 1 . . . 1 1 215 1 . . . 1 1 216 1 . . . 1 1 217 1 . . . 1 1 218 1 . . . 1 1 219 1 . . . 1 1 220 1 . . . 1 1 221 1 . . . 1 1 222 1 . . . 1 1 223 1 . . . 1 1 224 1 . . . 1 1 225 1 . . . 1 1 226 1 . . . 1 1 227 1 . . . 1 1 228 1 . . . 1 1 229 1 . . . 1 1 230 1 . . . 1 1 231 1 . . . 1 1 232 1 . . . 1 1 233 1 . . . 1 1 234 1 . . . 1 1 235 1 . . . 1 1 236 1 . . . 1 1 237 1 . . . 1 1 238 1 . . . 1 1 239 1 . . . 1 1 240 1 . . . 1 1 241 1 . . . 1 1 242 1 . . . 1 1 243 1 . . . 1 1 244 1 . . . 1 1 245 1 . . . 1 1 246 1 . . . 1 1 247 1 . . . 1 1 248 1 . . . 1 1 249 1 . . . 1 1 250 1 . . . 1 1 251 1 . . . 1 1 252 1 . . . 1 1 253 1 . . . 1 1 254 1 . . . 1 1 255 1 . . . 1 1 256 1 . . . 1 1 257 1 . . . 1 1 258 1 . . . 1 1 259 1 . . . 1 1 260 1 . . . 1 1 261 1 . . . 1 1 262 1 . . . 1 1 263 1 . . . 1 1 264 1 . . . 1 1 265 1 . . . 1 1 266 1 . . . 1 1 267 1 . . . 1 1 268 1 . . . 1 1 269 1 . . . 1 1 270 1 . . . 1 1 271 1 . . . 1 1 272 1 . . . 1 1 273 1 . . . 1 1 274 1 . . . 1 1 275 1 . . . 1 1 276 1 . . . 1 1 277 1 . . . 1 1 278 1 . . . 1 1 279 1 . . . 1 1 280 1 . . . 1 1 281 1 . . . 1 1 282 1 . . . 1 1 283 1 . . . 1 1 284 1 . . . 1 1 285 1 . . . 1 1 286 1 . . . 1 1 287 1 . . . 1 1 288 1 . . . 1 1 289 1 . . . 1 1 290 1 . . . 1 1 291 1 . . . 1 1 292 1 . . . 1 1 293 1 . . . 1 1 294 1 . . . 1 1 295 1 . . . 1 1 296 1 . . . 1 1 297 1 . . . 1 1 298 1 . . . 1 1 299 1 . . . 1 1 300 1 . . . 1 1 301 1 . . . 1 1 302 1 . . . 1 1 303 1 . . . 1 1 304 1 . . . 1 1 305 1 . . . 1 1 306 1 . . . 1 1 307 1 . . . 1 1 308 1 . . . 1 1 309 1 . . . 1 1 310 1 . . . 1 1 311 1 . . . 1 1 312 1 . . . 1 1 313 1 . . . 1 1 314 1 . . . 1 1 315 1 . . . 1 1 316 1 . . . 1 1 317 1 . . . 1 1 318 1 . . . 1 1 319 1 . . . 1 1 320 1 . . . 1 1 321 1 . . . 1 1 322 1 . . . 1 1 323 1 . . . 1 1 324 1 . . . 1 1 325 1 . . . 1 1 326 1 . . . 1 1 327 1 . . . 1 1 328 1 . . . 1 1 329 1 . . . 1 1 330 1 . . . 1 1 331 1 . . . 1 1 332 1 . . . 1 1 333 1 . . . 1 1 334 1 . . . 1 1 335 1 . . . 1 1 336 1 . . . 1 1 337 1 . . . 1 1 338 1 . . . 1 1 339 1 . . . 1 1 340 1 . . . 1 1 341 1 . . . 1 1 342 1 . . . 1 1 343 1 . . . 1 1 344 1 . . . 1 1 345 1 . . . 1 1 346 1 . . . 1 1 347 1 . . . 1 1 348 1 . . . 1 1 349 1 . . . 1 1 350 1 . . . 1 1 351 1 . . . 1 1 352 1 . . . 1 1 353 1 . . . 1 1 354 1 . . . 1 1 355 1 . . . 1 1 356 1 . . . 1 1 357 1 . . . 1 1 358 1 . . . 1 1 359 1 . . . 1 1 360 1 . . . 1 1 361 1 . . . 1 1 362 1 . . . 1 1 363 1 . . . 1 1 364 1 . . . 1 1 365 1 . . . 1 1 366 1 . . . 1 1 367 1 . . . 1 1 368 1 . . . 1 1 369 1 . . . 1 1 370 1 . . . 1 1 371 1 . . . 1 1 372 1 . . . 1 1 373 1 . . . 1 1 374 1 . . . 1 1 375 1 . . . 1 1 376 1 . . . 1 1 377 1 . . . 1 1 378 1 . . . 1 1 379 1 . . . 1 1 380 1 . . . 1 1 381 1 . . . 1 1 382 1 . . . 1 1 383 1 . . . 1 1 384 1 . . . 1 1 385 1 . . . 1 1 386 1 . . . 1 1 387 1 . . . 1 1 388 1 . . . 1 1 389 1 . . . 1 1 390 1 . . . 1 1 391 1 . . . 1 1 392 1 . . . 1 1 393 1 . . . 1 1 394 1 . . . 1 1 395 1 . . . 1 1 396 1 . . . 1 1 397 1 . . . 1 1 398 1 . . . 1 1 399 1 . . . 1 1 400 1 . . . 1 1 401 1 . . . 1 1 402 1 . . . 1 1 403 1 . . . 1 1 404 1 . . . 1 1 405 1 . . . 1 1 406 1 . . . 1 1 407 1 . . . 1 1 408 1 . . . 1 1 409 1 . . . 1 1 410 1 . . . 1 1 411 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 10 ASP HA . 10 . HA 1 1 1 1 2 1 1 10 ASP HB3 . 10 . HB1 1 1 2 1 1 1 1 10 ASP HA . 10 . HA 1 1 2 1 2 1 1 10 ASP HB2 . 10 . HB2 1 1 3 1 1 1 1 10 ASP HA . 10 . HA 1 1 3 1 2 1 1 11 THR H . 11 . HN 1 1 4 1 1 1 1 10 ASP HA . 10 . HA 1 1 4 1 2 1 1 61 CYS H . 61 . HN 1 1 5 1 1 1 1 10 ASP H . 10 . HN 1 1 5 1 2 1 1 10 ASP HB3 . 10 . HB1 1 1 6 1 1 1 1 10 ASP HB3 . 10 . HB1 1 1 6 1 2 1 1 11 THR H . 11 . HN 1 1 7 1 1 1 1 10 ASP HB2 . 10 . HB2 1 1 7 1 2 1 1 11 THR H . 11 . HN 1 1 8 1 1 1 1 10 ASP H . 10 . HN 1 1 8 1 2 1 1 11 THR H . 11 . HN 1 1 9 1 1 1 1 11 THR H . 11 . HN 1 1 9 1 2 1 1 11 THR HA . 11 . HA 1 1 10 1 1 1 1 11 THR HA . 11 . HA 1 1 10 1 2 1 1 12 CYS H . 12 . HN 1 1 11 1 1 1 1 11 THR H . 11 . HN 1 1 11 1 2 1 1 11 THR HB . 11 . HB 1 1 12 1 1 1 1 11 THR HB . 11 . HB 1 1 12 1 2 1 1 25 VAL H . 25 . HN 1 1 13 1 1 1 1 11 THR H . 11 . HN 1 1 13 1 2 1 1 11 THR MG . 11 . HG2# 1 1 14 1 1 1 1 11 THR MG . 11 . HG2# 1 1 14 1 2 1 1 12 CYS H . 12 . HN 1 1 15 1 1 1 1 11 THR MG . 11 . HG2# 1 1 15 1 2 1 1 25 VAL QG . 25 . HG2# 1 1 16 1 1 1 1 11 THR MG . 11 . HG2# 1 1 16 1 2 1 1 25 VAL H . 25 . HN 1 1 17 1 1 1 1 12 CYS HA . 12 . HA 1 1 17 1 2 1 1 12 CYS HB2 . 12 . HB1 1 1 18 1 1 1 1 12 CYS HA . 12 . HA 1 1 18 1 2 1 1 12 CYS HB3 . 12 . HB2 1 1 19 1 1 1 1 12 CYS H . 12 . HN 1 1 19 1 2 1 1 12 CYS HA . 12 . HA 1 1 20 1 1 1 1 12 CYS HA . 12 . HA 1 1 20 1 2 1 1 13 LEU H . 13 . HN 1 1 21 1 1 1 1 12 CYS HA . 12 . HA 1 1 21 1 2 1 1 25 VAL H . 25 . HN 1 1 22 1 1 1 1 12 CYS H . 12 . HN 1 1 22 1 2 1 1 12 CYS HB2 . 12 . HB1 1 1 23 1 1 1 1 12 CYS H . 12 . HN 1 1 23 1 2 1 1 12 CYS HB3 . 12 . HB2 1 1 24 1 1 1 1 13 LEU HA . 13 . HA 1 1 24 1 2 1 1 14 CYS H . 14 . HN 1 1 25 1 1 1 1 13 LEU QB . 13 . HB1 1 1 25 1 2 1 1 13 LEU MD1 . 13 . HD1# 1 1 26 1 1 1 1 13 LEU H . 13 . HN 1 1 26 1 2 1 1 13 LEU QB . 13 . HB1 1 1 27 1 1 1 1 13 LEU QB . 13 . HB1 1 1 27 1 2 1 1 25 VAL QG . 25 . HG1# 1 1 28 1 1 1 1 13 LEU QB . 13 . HB1 1 1 28 1 2 1 1 25 VAL H . 25 . HN 1 1 29 1 1 1 1 13 LEU QB . 13 . HB2 1 1 29 1 2 1 1 13 LEU MD2 . 13 . HD2# 1 1 30 1 1 1 1 13 LEU QB . 13 . HB2 1 1 30 1 2 1 1 14 CYS H . 14 . HN 1 1 31 1 1 1 1 13 LEU MD1 . 13 . HD1# 1 1 31 1 2 1 1 14 CYS H . 14 . HN 1 1 32 1 1 1 1 13 LEU H . 13 . HN 1 1 32 1 2 1 1 25 VAL QG . 25 . HG1# 1 1 33 1 1 1 1 14 CYS H . 14 . HN 1 1 33 1 2 1 1 14 CYS HA . 14 . HA 1 1 34 1 1 1 1 14 CYS HA . 14 . HA 1 1 34 1 2 1 1 15 THR H . 15 . HN 1 1 35 1 1 1 1 14 CYS HA . 14 . HA 1 1 35 1 2 1 1 22 CYS HA . 22 . HA 1 1 36 1 1 1 1 14 CYS QB . 14 . HB1 1 1 36 1 2 1 1 15 THR H . 15 . HN 1 1 37 1 1 1 1 14 CYS H . 14 . HN 1 1 37 1 2 1 1 14 CYS QB . 14 . HB2 1 1 38 1 1 1 1 15 THR HA . 15 . HA 1 1 38 1 2 1 1 15 THR MG . 15 . HG2# 1 1 39 1 1 1 1 15 THR HB . 15 . HB 1 1 39 1 2 1 1 15 THR MG . 15 . HG2# 1 1 40 1 1 1 1 15 THR H . 15 . HN 1 1 40 1 2 1 1 15 THR HB . 15 . HB 1 1 41 1 1 1 1 15 THR HB . 15 . HB 1 1 41 1 2 1 1 16 ARG H . 16 . HN 1 1 42 1 1 1 1 15 THR H . 15 . HN 1 1 42 1 2 1 1 15 THR MG . 15 . HG2# 1 1 43 1 1 1 1 15 THR MG . 15 . HG2# 1 1 43 1 2 1 1 16 ARG H . 16 . HN 1 1 44 1 1 1 1 15 THR H . 15 . HN 1 1 44 1 2 1 1 21 THR H . 21 . HN 1 1 45 1 1 1 1 16 ARG H . 16 . HN 1 1 45 1 2 1 1 16 ARG HA . 16 . HA 1 1 46 1 1 1 1 16 ARG HA . 16 . HA 1 1 46 1 2 1 1 17 SER H . 17 . HN 1 1 47 1 1 1 1 16 ARG HB3 . 16 . HB1 1 1 47 1 2 1 1 16 ARG HG2 . 16 . HG2 1 1 48 1 1 1 1 16 ARG H . 16 . HN 1 1 48 1 2 1 1 16 ARG HB3 . 16 . HB1 1 1 49 1 1 1 1 16 ARG H . 16 . HN 1 1 49 1 2 1 1 16 ARG HG2 . 16 . HG2 1 1 50 1 1 1 1 16 ARG H . 16 . HN 1 1 50 1 2 1 1 17 SER H . 17 . HN 1 1 51 1 1 1 1 17 SER HA . 17 . HA 1 1 51 1 2 1 1 17 SER HB3 . 17 . HB1 1 1 52 1 1 1 1 17 SER H . 17 . HN 1 1 52 1 2 1 1 17 SER HA . 17 . HA 1 1 53 1 1 1 1 17 SER HA . 17 . HA 1 1 53 1 2 1 1 18 GLN H . 18 . HN 1 1 54 1 1 1 1 17 SER HB3 . 17 . HB1 1 1 54 1 2 1 1 18 GLN H . 18 . HN 1 1 55 1 1 1 1 17 SER H . 17 . HN 1 1 55 1 2 1 1 17 SER HB2 . 17 . HB2 1 1 56 1 1 1 1 17 SER HB2 . 17 . HB2 1 1 56 1 2 1 1 18 GLN H . 18 . HN 1 1 57 1 1 1 1 18 GLN H . 18 . HN 1 1 57 1 2 1 1 18 GLN HA . 18 . HA 1 1 58 1 1 1 1 18 GLN H . 18 . HN 1 1 58 1 2 1 1 18 GLN HB3 . 18 . HB1 1 1 59 1 1 1 1 18 GLN H . 18 . HN 1 1 59 1 2 1 1 18 GLN HB2 . 18 . HB2 1 1 60 1 1 1 1 18 GLN H . 18 . HN 1 1 60 1 2 1 1 18 GLN QG . 18 . HG# 1 1 61 1 1 1 1 2 ASP HA . 2 . HA 1 1 61 1 2 1 1 3 ASP H . 3 . HN 1 1 62 1 1 1 1 2 ASP H . 2 . HN 1 1 62 1 2 1 1 2 ASP HB3 . 2 . HB1 1 1 63 1 1 1 1 17 SER H . 17 . HN 1 1 63 1 2 1 1 20 PRO HA . 20 . HA 1 1 64 1 1 1 1 20 PRO HA . 20 . HA 1 1 64 1 2 1 1 20 PRO HB3 . 20 . HB1 1 1 65 1 1 1 1 20 PRO HA . 20 . HA 1 1 65 1 2 1 1 21 THR H . 21 . HN 1 1 66 1 1 1 1 20 PRO HB3 . 20 . HB1 1 1 66 1 2 1 1 21 THR H . 21 . HN 1 1 67 1 1 1 1 21 THR HA . 21 . HA 1 1 67 1 2 1 1 22 CYS H . 22 . HN 1 1 68 1 1 1 1 21 THR H . 21 . HN 1 1 68 1 2 1 1 21 THR HB . 21 . HB 1 1 69 1 1 1 1 21 THR HB . 21 . HB 1 1 69 1 2 1 1 22 CYS H . 22 . HN 1 1 70 1 1 1 1 15 THR H . 15 . HN 1 1 70 1 2 1 1 21 THR MG . 21 . HG2# 1 1 71 1 1 1 1 21 THR H . 21 . HN 1 1 71 1 2 1 1 21 THR MG . 21 . HG2# 1 1 72 1 1 1 1 21 THR MG . 21 . HG2# 1 1 72 1 2 1 1 22 CYS H . 22 . HN 1 1 73 1 1 1 1 21 THR MG . 21 . HG2# 1 1 73 1 2 1 1 54 HIS H . 54 . HN 1 1 74 1 1 1 1 15 THR MG . 15 . HG2# 1 1 74 1 2 1 1 21 THR H . 21 . HN 1 1 75 1 1 1 1 20 PRO QG . 20 . HG# 1 1 75 1 2 1 1 21 THR H . 21 . HN 1 1 76 1 1 1 1 15 THR H . 15 . HN 1 1 76 1 2 1 1 22 CYS HA . 22 . HA 1 1 77 1 1 1 1 22 CYS HA . 22 . HA 1 1 77 1 2 1 1 23 ARG H . 23 . HN 1 1 78 1 1 1 1 22 CYS H . 22 . HN 1 1 78 1 2 1 1 22 CYS QB . 22 . HB1 1 1 79 1 1 1 1 22 CYS QB . 22 . HB2 1 1 79 1 2 1 1 23 ARG H . 23 . HN 1 1 80 1 1 1 1 22 CYS H . 22 . HN 1 1 80 1 2 1 1 54 HIS H . 54 . HN 1 1 81 1 1 1 1 23 ARG HA . 23 . HA 1 1 81 1 2 1 1 23 ARG HB3 . 23 . HB1 1 1 82 1 1 1 1 23 ARG H . 23 . HN 1 1 82 1 2 1 1 23 ARG HA . 23 . HA 1 1 83 1 1 1 1 23 ARG HA . 23 . HA 1 1 83 1 2 1 1 24 CYS H . 24 . HN 1 1 84 1 1 1 1 23 ARG H . 23 . HN 1 1 84 1 2 1 1 23 ARG HB3 . 23 . HB1 1 1 85 1 1 1 1 23 ARG HB3 . 23 . HB1 1 1 85 1 2 1 1 24 CYS H . 24 . HN 1 1 86 1 1 1 1 23 ARG QD . 23 . HD# 1 1 86 1 2 1 1 23 ARG QH1 . 23 . HH1# 1 1 87 1 1 1 1 23 ARG QD . 23 . HD# 1 1 87 1 2 1 1 23 ARG QH2 . 23 . HH2# 1 1 88 1 1 1 1 23 ARG QG . 23 . HG2 1 1 88 1 2 1 1 23 ARG QH1 . 23 . HH1# 1 1 89 1 1 1 1 23 ARG H . 23 . HN 1 1 89 1 2 1 1 23 ARG QG . 23 . HG2 1 1 90 1 1 1 1 23 ARG QG . 23 . HG2 1 1 90 1 2 1 1 24 CYS H . 24 . HN 1 1 91 1 1 1 1 23 ARG HB3 . 23 . HB1 1 1 91 1 2 1 1 23 ARG QH1 . 23 . HH1# 1 1 92 1 1 1 1 23 ARG QH2 . 23 . HH2# 1 1 92 1 2 1 1 25 VAL QG . 25 . HG1# 1 1 93 1 1 1 1 13 LEU H . 13 . HN 1 1 93 1 2 1 1 23 ARG H . 23 . HN 1 1 94 1 1 1 1 13 LEU H . 13 . HN 1 1 94 1 2 1 1 24 CYS HA . 24 . HA 1 1 95 1 1 1 1 24 CYS H . 24 . HN 1 1 95 1 2 1 1 24 CYS HA . 24 . HA 1 1 96 1 1 1 1 24 CYS HA . 24 . HA 1 1 96 1 2 1 1 25 VAL H . 25 . HN 1 1 97 1 1 1 1 24 CYS HA . 24 . HA 1 1 97 1 2 1 1 26 ASP H . 26 . HN 1 1 98 1 1 1 1 24 CYS H . 24 . HN 1 1 98 1 2 1 1 24 CYS QB . 24 . HB# 1 1 99 1 1 1 1 25 VAL H . 25 . HN 1 1 99 1 2 1 1 25 VAL HA . 25 . HA 1 1 100 1 1 1 1 25 VAL HA . 25 . HA 1 1 100 1 2 1 1 26 ASP H . 26 . HN 1 1 101 1 1 1 1 25 VAL H . 25 . HN 1 1 101 1 2 1 1 25 VAL HB . 25 . HB 1 1 102 1 1 1 1 25 VAL H . 25 . HN 1 1 102 1 2 1 1 25 VAL QG . 25 . HG1# 1 1 103 1 1 1 1 25 VAL QG . 25 . HG2# 1 1 103 1 2 1 1 26 ASP H . 26 . HN 1 1 104 1 1 1 1 25 VAL H . 25 . HN 1 1 104 1 2 1 1 26 ASP H . 26 . HN 1 1 105 1 1 1 1 26 ASP H . 26 . HN 1 1 105 1 2 1 1 26 ASP HA . 26 . HA 1 1 106 1 1 1 1 26 ASP HA . 26 . HA 1 1 106 1 2 1 1 27 VAL H . 27 . HN 1 1 107 1 1 1 1 26 ASP QB . 26 . HB# 1 1 107 1 2 1 1 27 VAL H . 27 . HN 1 1 108 1 1 1 1 26 ASP H . 26 . HN 1 1 108 1 2 1 1 26 ASP QB . 26 . HB# 1 1 109 1 1 1 1 27 VAL HA . 27 . HA 1 1 109 1 2 1 1 28 ARG H . 28 . HN 1 1 110 1 1 1 1 27 VAL HA . 27 . HA 1 1 110 1 2 1 1 48 CYS H . 48 . HN 1 1 111 1 1 1 1 27 VAL H . 27 . HN 1 1 111 1 2 1 1 27 VAL QG . 27 . HG1# 1 1 112 1 1 1 1 27 VAL QG . 27 . HG1# 1 1 112 1 2 1 1 28 ARG H . 28 . HN 1 1 113 1 1 1 1 27 VAL QG . 27 . HG1# 1 1 113 1 2 1 1 48 CYS H . 48 . HN 1 1 114 1 1 1 1 28 ARG H . 28 . HN 1 1 114 1 2 1 1 28 ARG HA . 28 . HA 1 1 115 1 1 1 1 28 ARG HA . 28 . HA 1 1 115 1 2 1 1 29 GLU H . 29 . HN 1 1 116 1 1 1 1 28 ARG QB . 28 . HB1 1 1 116 1 2 1 1 28 ARG QH1 . 28 . HH1# 1 1 117 1 1 1 1 28 ARG H . 28 . HN 1 1 117 1 2 1 1 28 ARG QB . 28 . HB1 1 1 118 1 1 1 1 28 ARG QD . 28 . HD2 1 1 118 1 2 1 1 28 ARG QH1 . 28 . HH1# 1 1 119 1 1 1 1 28 ARG QG . 28 . HG# 1 1 119 1 2 1 1 28 ARG QH1 . 28 . HH1# 1 1 120 1 1 1 1 28 ARG H . 28 . HN 1 1 120 1 2 1 1 28 ARG QG . 28 . HG# 1 1 121 1 1 1 1 28 ARG QG . 28 . HG# 1 1 121 1 2 1 1 29 GLU H . 29 . HN 1 1 122 1 1 1 1 28 ARG QG . 28 . HG# 1 1 122 1 2 1 1 30 SER H . 30 . HN 1 1 123 1 1 1 1 28 ARG H . 28 . HN 1 1 123 1 2 1 1 28 ARG QD . 28 . HD1 1 1 124 1 1 1 1 28 ARG H . 28 . HN 1 1 124 1 2 1 1 48 CYS H . 48 . HN 1 1 125 1 1 1 1 29 GLU H . 29 . HN 1 1 125 1 2 1 1 29 GLU HA . 29 . HA 1 1 126 1 1 1 1 29 GLU HA . 29 . HA 1 1 126 1 2 1 1 30 SER H . 30 . HN 1 1 127 1 1 1 1 29 GLU H . 29 . HN 1 1 127 1 2 1 1 29 GLU HB3 . 29 . HB1 1 1 128 1 1 1 1 29 GLU HB3 . 29 . HB1 1 1 128 1 2 1 1 30 SER H . 30 . HN 1 1 129 1 1 1 1 29 GLU H . 29 . HN 1 1 129 1 2 1 1 29 GLU HB2 . 29 . HB2 1 1 130 1 1 1 1 29 GLU HB2 . 29 . HB2 1 1 130 1 2 1 1 30 SER H . 30 . HN 1 1 131 1 1 1 1 29 GLU H . 29 . HN 1 1 131 1 2 1 1 29 GLU QG . 29 . HG# 1 1 132 1 1 1 1 28 ARG QB . 28 . HB1 1 1 132 1 2 1 1 29 GLU H . 29 . HN 1 1 133 1 1 1 1 29 GLU H . 29 . HN 1 1 133 1 2 1 1 30 SER H . 30 . HN 1 1 134 1 1 1 1 3 ASP HA . 3 . HA 1 1 134 1 2 1 1 4 VAL H . 4 . HN 1 1 135 1 1 1 1 3 ASP H . 3 . HN 1 1 135 1 2 1 1 3 ASP HB3 . 3 . HB1 1 1 136 1 1 1 1 3 ASP H . 3 . HN 1 1 136 1 2 1 1 3 ASP HB2 . 3 . HB2 1 1 137 1 1 1 1 3 ASP HB2 . 3 . HB2 1 1 137 1 2 1 1 4 VAL H . 4 . HN 1 1 138 1 1 1 1 2 ASP HB3 . 2 . HB1 1 1 138 1 2 1 1 3 ASP H . 3 . HN 1 1 139 1 1 1 1 3 ASP H . 3 . HN 1 1 139 1 2 1 1 4 VAL H . 4 . HN 1 1 140 1 1 1 1 30 SER HA . 30 . HA 1 1 140 1 2 1 1 30 SER QB . 30 . HB# 1 1 141 1 1 1 1 30 SER H . 30 . HN 1 1 141 1 2 1 1 30 SER HA . 30 . HA 1 1 142 1 1 1 1 30 SER H . 30 . HN 1 1 142 1 2 1 1 30 SER QB . 30 . HB# 1 1 143 1 1 1 1 30 SER QB . 30 . HB# 1 1 143 1 2 1 1 31 CYS H . 31 . HN 1 1 144 1 1 1 1 28 ARG QB . 28 . HB1 1 1 144 1 2 1 1 30 SER H . 30 . HN 1 1 145 1 1 1 1 30 SER H . 30 . HN 1 1 145 1 2 1 1 31 CYS H . 31 . HN 1 1 146 1 1 1 1 31 CYS HA . 31 . HA 1 1 146 1 2 1 1 31 CYS HB3 . 31 . HB1 1 1 147 1 1 1 1 31 CYS H . 31 . HN 1 1 147 1 2 1 1 31 CYS HB3 . 31 . HB1 1 1 148 1 1 1 1 32 HIS HA . 32 . HA 1 1 148 1 2 1 1 32 HIS QB . 32 . HB1 1 1 149 1 1 1 1 32 HIS HA . 32 . HA 1 1 149 1 2 1 1 33 SER H . 33 . HN 1 1 150 1 1 1 1 32 HIS QB . 32 . HB1 1 1 150 1 2 1 1 32 HIS HE1 . 32 . HE1 1 1 151 1 1 1 1 32 HIS H . 32 . HN 1 1 151 1 2 1 1 32 HIS QB . 32 . HB1 1 1 152 1 1 1 1 32 HIS QB . 32 . HB1 1 1 152 1 2 1 1 33 SER H . 33 . HN 1 1 153 1 1 1 1 32 HIS QB . 32 . HB2 1 1 153 1 2 1 1 32 HIS HD2 . 32 . HD2 1 1 154 1 1 1 1 7 ALA MB . 7 . HB# 1 1 154 1 2 1 1 32 HIS QB . 32 . HB2 1 1 155 1 1 1 1 33 SER H . 33 . HN 1 1 155 1 2 1 1 33 SER HA . 33 . HA 1 1 156 1 1 1 1 33 SER H . 33 . HN 1 1 156 1 2 1 1 33 SER QB . 33 . HB# 1 1 157 1 1 1 1 33 SER QB . 33 . HB# 1 1 157 1 2 1 1 35 CYS H . 35 . HN 1 1 158 1 1 1 1 34 ALA H . 34 . HN 1 1 158 1 2 1 1 34 ALA HA . 34 . HA 1 1 159 1 1 1 1 34 ALA HA . 34 . HA 1 1 159 1 2 1 1 35 CYS H . 35 . HN 1 1 160 1 1 1 1 34 ALA H . 34 . HN 1 1 160 1 2 1 1 34 ALA MB . 34 . HB# 1 1 161 1 1 1 1 34 ALA MB . 34 . HB# 1 1 161 1 2 1 1 35 CYS H . 35 . HN 1 1 162 1 1 1 1 7 ALA MB . 7 . HB# 1 1 162 1 2 1 1 34 ALA MB . 34 . HB# 1 1 163 1 1 1 1 34 ALA H . 34 . HN 1 1 163 1 2 1 1 35 CYS H . 35 . HN 1 1 164 1 1 1 1 35 CYS H . 35 . HN 1 1 164 1 2 1 1 35 CYS HA . 35 . HA 1 1 165 1 1 1 1 35 CYS HA . 35 . HA 1 1 165 1 2 1 1 36 ASP H . 36 . HN 1 1 166 1 1 1 1 35 CYS H . 35 . HN 1 1 166 1 2 1 1 35 CYS HB3 . 35 . HB1 1 1 167 1 1 1 1 35 CYS H . 35 . HN 1 1 167 1 2 1 1 35 CYS HB2 . 35 . HB2 1 1 168 1 1 1 1 36 ASP H . 36 . HN 1 1 168 1 2 1 1 36 ASP HA . 36 . HA 1 1 169 1 1 1 1 36 ASP H . 36 . HN 1 1 169 1 2 1 1 36 ASP HB2 . 36 . HB2 1 1 170 1 1 1 1 36 ASP H . 36 . HN 1 1 170 1 2 1 1 37 LYS H . 37 . HN 1 1 171 1 1 1 1 37 LYS H . 37 . HN 1 1 171 1 2 1 1 37 LYS HA . 37 . HA 1 1 172 1 1 1 1 37 LYS H . 37 . HN 1 1 172 1 2 1 1 37 LYS QB . 37 . HB1 1 1 173 1 1 1 1 37 LYS QB . 37 . HB1 1 1 173 1 2 1 1 51 TYR H . 51 . HN 1 1 174 1 1 1 1 37 LYS H . 37 . HN 1 1 174 1 2 1 1 37 LYS QG . 37 . HG1 1 1 175 1 1 1 1 37 LYS QG . 37 . HG1 1 1 175 1 2 1 1 38 CYS H . 38 . HN 1 1 176 1 1 1 1 37 LYS QG . 37 . HG1 1 1 176 1 2 1 1 51 TYR QD . 51 . HD# 1 1 177 1 1 1 1 36 ASP HB3 . 36 . HB1 1 1 177 1 2 1 1 37 LYS H . 37 . HN 1 1 178 1 1 1 1 38 CYS H . 38 . HN 1 1 178 1 2 1 1 38 CYS HA . 38 . HA 1 1 179 1 1 1 1 38 CYS HA . 38 . HA 1 1 179 1 2 1 1 39 VAL MG2 . 39 . HG2# 1 1 180 1 1 1 1 38 CYS HA . 38 . HA 1 1 180 1 2 1 1 39 VAL H . 39 . HN 1 1 181 1 1 1 1 38 CYS HA . 38 . HA 1 1 181 1 2 1 1 49 GLN H . 49 . HN 1 1 182 1 1 1 1 38 CYS H . 38 . HN 1 1 182 1 2 1 1 38 CYS HB3 . 38 . HB1 1 1 183 1 1 1 1 38 CYS H . 38 . HN 1 1 183 1 2 1 1 38 CYS HB2 . 38 . HB2 1 1 184 1 1 1 1 39 VAL HA . 39 . HA 1 1 184 1 2 1 1 39 VAL MG1 . 39 . HG1# 1 1 185 1 1 1 1 39 VAL HA . 39 . HA 1 1 185 1 2 1 1 39 VAL MG2 . 39 . HG2# 1 1 186 1 1 1 1 39 VAL HA . 39 . HA 1 1 186 1 2 1 1 40 CYS H . 40 . HN 1 1 187 1 1 1 1 39 VAL H . 39 . HN 1 1 187 1 2 1 1 39 VAL HB . 39 . HB 1 1 188 1 1 1 1 39 VAL HB . 39 . HB 1 1 188 1 2 1 1 51 TYR QD . 51 . HD# 1 1 189 1 1 1 1 39 VAL MG1 . 39 . HG1# 1 1 189 1 2 1 1 51 TYR QD . 51 . HD# 1 1 190 1 1 1 1 39 VAL MG1 . 39 . HG1# 1 1 190 1 2 1 1 51 TYR QE . 51 . HE# 1 1 191 1 1 1 1 39 VAL MG1 . 39 . HG1# 1 1 191 1 2 1 1 39 VAL MG2 . 39 . HG2# 1 1 192 1 1 1 1 39 VAL MG2 . 39 . HG2# 1 1 192 1 2 1 1 51 TYR QD . 51 . HD# 1 1 193 1 1 1 1 39 VAL MG2 . 39 . HG2# 1 1 193 1 2 1 1 51 TYR QE . 51 . HE# 1 1 194 1 1 1 1 39 VAL H . 39 . HN 1 1 194 1 2 1 1 39 VAL MG1 . 39 . HG1# 1 1 195 1 1 1 1 39 VAL H . 39 . HN 1 1 195 1 2 1 1 49 GLN H . 49 . HN 1 1 196 1 1 1 1 39 VAL H . 39 . HN 1 1 196 1 2 1 1 51 TYR QD . 51 . HD# 1 1 197 1 1 1 1 39 VAL H . 39 . HN 1 1 197 1 2 1 1 51 TYR H . 51 . HN 1 1 198 1 1 1 1 4 VAL H . 4 . HN 1 1 198 1 2 1 1 4 VAL HA . 4 . HA 1 1 199 1 1 1 1 4 VAL HA . 4 . HA 1 1 199 1 2 1 1 5 LYS H . 5 . HN 1 1 200 1 1 1 1 4 VAL HA . 4 . HA 1 1 200 1 2 1 1 6 SER H . 6 . HN 1 1 201 1 1 1 1 4 VAL H . 4 . HN 1 1 201 1 2 1 1 4 VAL HB . 4 . HB 1 1 202 1 1 1 1 4 VAL HB . 4 . HB 1 1 202 1 2 1 1 5 LYS H . 5 . HN 1 1 203 1 1 1 1 4 VAL QG . 4 . HG# 1 1 203 1 2 1 1 5 LYS H . 5 . HN 1 1 204 1 1 1 1 4 VAL H . 4 . HN 1 1 204 1 2 1 1 4 VAL QG . 4 . HG# 1 1 205 1 1 1 1 40 CYS HA . 40 . HA 1 1 205 1 2 1 1 40 CYS HB3 . 40 . HB2 1 1 206 1 1 1 1 40 CYS HA . 40 . HA 1 1 206 1 2 1 1 41 ALA H . 41 . HN 1 1 207 1 1 1 1 40 CYS HA . 40 . HA 1 1 207 1 2 1 1 49 GLN H . 49 . HN 1 1 208 1 1 1 1 40 CYS H . 40 . HN 1 1 208 1 2 1 1 40 CYS HB2 . 40 . HB1 1 1 209 1 1 1 1 40 CYS HB2 . 40 . HB1 1 1 209 1 2 1 1 41 ALA H . 41 . HN 1 1 210 1 1 1 1 40 CYS H . 40 . HN 1 1 210 1 2 1 1 40 CYS HB3 . 40 . HB2 1 1 211 1 1 1 1 40 CYS HB3 . 40 . HB2 1 1 211 1 2 1 1 41 ALA H . 41 . HN 1 1 212 1 1 1 1 41 ALA H . 41 . HN 1 1 212 1 2 1 1 41 ALA HA . 41 . HA 1 1 213 1 1 1 1 41 ALA HA . 41 . HA 1 1 213 1 2 1 1 42 TYR H . 42 . HN 1 1 214 1 1 1 1 41 ALA H . 41 . HN 1 1 214 1 2 1 1 41 ALA MB . 41 . HB# 1 1 215 1 1 1 1 41 ALA MB . 41 . HB# 1 1 215 1 2 1 1 42 TYR QD . 42 . HD# 1 1 216 1 1 1 1 41 ALA MB . 41 . HB# 1 1 216 1 2 1 1 42 TYR QE . 42 . HE# 1 1 217 1 1 1 1 41 ALA MB . 41 . HB# 1 1 217 1 2 1 1 42 TYR H . 42 . HN 1 1 218 1 1 1 1 41 ALA MB . 41 . HB# 1 1 218 1 2 1 1 47 GLN H . 47 . HN 1 1 219 1 1 1 1 41 ALA H . 41 . HN 1 1 219 1 2 1 1 47 GLN H . 47 . HN 1 1 220 1 1 1 1 42 TYR HA . 42 . HA 1 1 220 1 2 1 1 42 TYR QB . 42 . HB1 1 1 221 1 1 1 1 42 TYR HA . 42 . HA 1 1 221 1 2 1 1 42 TYR QD . 42 . HD# 1 1 222 1 1 1 1 42 TYR H . 42 . HN 1 1 222 1 2 1 1 42 TYR HA . 42 . HA 1 1 223 1 1 1 1 42 TYR HA . 42 . HA 1 1 223 1 2 1 1 43 SER H . 43 . HN 1 1 224 1 1 1 1 42 TYR H . 42 . HN 1 1 224 1 2 1 1 42 TYR QB . 42 . HB1 1 1 225 1 1 1 1 42 TYR QB . 42 . HB1 1 1 225 1 2 1 1 43 SER H . 43 . HN 1 1 226 1 1 1 1 42 TYR QD . 42 . HD# 1 1 226 1 2 1 1 43 SER H . 43 . HN 1 1 227 1 1 1 1 42 TYR H . 42 . HN 1 1 227 1 2 1 1 42 TYR QD . 42 . HD# 1 1 228 1 1 1 1 43 SER HA . 43 . HA 1 1 228 1 2 1 1 43 SER HB2 . 43 . HB2 1 1 229 1 1 1 1 43 SER H . 43 . HN 1 1 229 1 2 1 1 43 SER HA . 43 . HA 1 1 230 1 1 1 1 43 SER HA . 43 . HA 1 1 230 1 2 1 1 44 ASN H . 44 . HN 1 1 231 1 1 1 1 43 SER H . 43 . HN 1 1 231 1 2 1 1 43 SER HB3 . 43 . HB1 1 1 232 1 1 1 1 43 SER HB3 . 43 . HB1 1 1 232 1 2 1 1 44 ASN H . 44 . HN 1 1 233 1 1 1 1 43 SER H . 43 . HN 1 1 233 1 2 1 1 43 SER HB2 . 43 . HB2 1 1 234 1 1 1 1 43 SER HB2 . 43 . HB2 1 1 234 1 2 1 1 44 ASN H . 44 . HN 1 1 235 1 1 1 1 41 ALA MB . 41 . HB# 1 1 235 1 2 1 1 43 SER H . 43 . HN 1 1 236 1 1 1 1 42 TYR H . 42 . HN 1 1 236 1 2 1 1 43 SER H . 43 . HN 1 1 237 1 1 1 1 44 ASN HA . 44 . HA 1 1 237 1 2 1 1 44 ASN HB2 . 44 . HB2 1 1 238 1 1 1 1 44 ASN H . 44 . HN 1 1 238 1 2 1 1 44 ASN HA . 44 . HA 1 1 239 1 1 1 1 44 ASN HB3 . 44 . HB1 1 1 239 1 2 1 1 44 ASN HD21 . 44 . HD21 1 1 240 1 1 1 1 44 ASN HB3 . 44 . HB1 1 1 240 1 2 1 1 44 ASN HD22 . 44 . HD22 1 1 241 1 1 1 1 44 ASN H . 44 . HN 1 1 241 1 2 1 1 44 ASN HB3 . 44 . HB1 1 1 242 1 1 1 1 44 ASN HB2 . 44 . HB2 1 1 242 1 2 1 1 44 ASN HD21 . 44 . HD21 1 1 243 1 1 1 1 44 ASN H . 44 . HN 1 1 243 1 2 1 1 44 ASN HB2 . 44 . HB2 1 1 244 1 1 1 1 45 PRO HA . 45 . HA 1 1 244 1 2 1 1 45 PRO HG2 . 45 . HG2 1 1 245 1 1 1 1 46 PRO HB2 . 46 . HB2 1 1 245 1 2 1 1 47 GLN H . 47 . HN 1 1 246 1 1 1 1 46 PRO HA . 46 . HA 1 1 246 1 2 1 1 46 PRO HG3 . 46 . HG1 1 1 247 1 1 1 1 47 GLN HA . 47 . HA 1 1 247 1 2 1 1 47 GLN HE21 . 47 . HE21 1 1 248 1 1 1 1 47 GLN H . 47 . HN 1 1 248 1 2 1 1 47 GLN HA . 47 . HA 1 1 249 1 1 1 1 47 GLN HA . 47 . HA 1 1 249 1 2 1 1 48 CYS H . 48 . HN 1 1 250 1 1 1 1 41 ALA MB . 41 . HB# 1 1 250 1 2 1 1 47 GLN HB3 . 47 . HB1 1 1 251 1 1 1 1 47 GLN HB3 . 47 . HB1 1 1 251 1 2 1 1 47 GLN HE21 . 47 . HE21 1 1 252 1 1 1 1 47 GLN HB3 . 47 . HB1 1 1 252 1 2 1 1 47 GLN HE22 . 47 . HE22 1 1 253 1 1 1 1 47 GLN HB2 . 47 . HB2 1 1 253 1 2 1 1 47 GLN HE21 . 47 . HE21 1 1 254 1 1 1 1 47 GLN H . 47 . HN 1 1 254 1 2 1 1 47 GLN HB2 . 47 . HB2 1 1 255 1 1 1 1 47 GLN HB2 . 47 . HB2 1 1 255 1 2 1 1 48 CYS H . 48 . HN 1 1 256 1 1 1 1 47 GLN H . 47 . HN 1 1 256 1 2 1 1 47 GLN QG . 47 . HG# 1 1 257 1 1 1 1 39 VAL H . 39 . HN 1 1 257 1 2 1 1 48 CYS HA . 48 . HA 1 1 258 1 1 1 1 48 CYS HA . 48 . HA 1 1 258 1 2 1 1 48 CYS HB3 . 48 . HB1 1 1 259 1 1 1 1 48 CYS H . 48 . HN 1 1 259 1 2 1 1 48 CYS HA . 48 . HA 1 1 260 1 1 1 1 48 CYS HA . 48 . HA 1 1 260 1 2 1 1 49 GLN H . 49 . HN 1 1 261 1 1 1 1 48 CYS H . 48 . HN 1 1 261 1 2 1 1 48 CYS HB3 . 48 . HB1 1 1 262 1 1 1 1 48 CYS HB3 . 48 . HB1 1 1 262 1 2 1 1 49 GLN H . 49 . HN 1 1 263 1 1 1 1 48 CYS H . 48 . HN 1 1 263 1 2 1 1 48 CYS HB2 . 48 . HB2 1 1 264 1 1 1 1 49 GLN H . 49 . HN 1 1 264 1 2 1 1 49 GLN HA . 49 . HA 1 1 265 1 1 1 1 49 GLN HA . 49 . HA 1 1 265 1 2 1 1 50 CYS H . 50 . HN 1 1 266 1 1 1 1 49 GLN QB . 49 . HB1 1 1 266 1 2 1 1 49 GLN QE . 49 . HE21 1 1 267 1 1 1 1 49 GLN QB . 49 . HB1 1 1 267 1 2 1 1 50 CYS H . 50 . HN 1 1 268 1 1 1 1 48 CYS H . 48 . HN 1 1 268 1 2 1 1 49 GLN QG . 49 . HG# 1 1 269 1 1 1 1 49 GLN H . 49 . HN 1 1 269 1 2 1 1 49 GLN QG . 49 . HG# 1 1 270 1 1 1 1 49 GLN QG . 49 . HG# 1 1 270 1 2 1 1 50 CYS H . 50 . HN 1 1 271 1 1 1 1 5 LYS H . 5 . HN 1 1 271 1 2 1 1 5 LYS HA . 5 . HA 1 1 272 1 1 1 1 5 LYS HA . 5 . HA 1 1 272 1 2 1 1 6 SER H . 6 . HN 1 1 273 1 1 1 1 5 LYS H . 5 . HN 1 1 273 1 2 1 1 5 LYS QB . 5 . HB1 1 1 274 1 1 1 1 5 LYS QB . 5 . HB1 1 1 274 1 2 1 1 6 SER H . 6 . HN 1 1 275 1 1 1 1 5 LYS H . 5 . HN 1 1 275 1 2 1 1 5 LYS HG3 . 5 . HG1 1 1 276 1 1 1 1 5 LYS H . 5 . HN 1 1 276 1 2 1 1 5 LYS HG2 . 5 . HG2 1 1 277 1 1 1 1 5 LYS HG2 . 5 . HG2 1 1 277 1 2 1 1 6 SER H . 6 . HN 1 1 278 1 1 1 1 4 VAL H . 4 . HN 1 1 278 1 2 1 1 5 LYS H . 5 . HN 1 1 279 1 1 1 1 5 LYS H . 5 . HN 1 1 279 1 2 1 1 6 SER H . 6 . HN 1 1 280 1 1 1 1 50 CYS H . 50 . HN 1 1 280 1 2 1 1 50 CYS HA . 50 . HA 1 1 281 1 1 1 1 50 CYS HA . 50 . HA 1 1 281 1 2 1 1 51 TYR H . 51 . HN 1 1 282 1 1 1 1 50 CYS HA . 50 . HA 1 1 282 1 2 1 1 52 ASP H . 52 . HN 1 1 283 1 1 1 1 50 CYS H . 50 . HN 1 1 283 1 2 1 1 50 CYS HB3 . 50 . HB1 1 1 284 1 1 1 1 50 CYS HB3 . 50 . HB1 1 1 284 1 2 1 1 51 TYR H . 51 . HN 1 1 285 1 1 1 1 50 CYS H . 50 . HN 1 1 285 1 2 1 1 50 CYS HB2 . 50 . HB2 1 1 286 1 1 1 1 51 TYR HA . 51 . HA 1 1 286 1 2 1 1 51 TYR HB3 . 51 . HB1 1 1 287 1 1 1 1 51 TYR HA . 51 . HA 1 1 287 1 2 1 1 51 TYR QD . 51 . HD# 1 1 288 1 1 1 1 51 TYR HA . 51 . HA 1 1 288 1 2 1 1 51 TYR QE . 51 . HE# 1 1 289 1 1 1 1 51 TYR H . 51 . HN 1 1 289 1 2 1 1 51 TYR HA . 51 . HA 1 1 290 1 1 1 1 51 TYR HA . 51 . HA 1 1 290 1 2 1 1 52 ASP H . 52 . HN 1 1 291 1 1 1 1 51 TYR HB3 . 51 . HB1 1 1 291 1 2 1 1 51 TYR QD . 51 . HD# 1 1 292 1 1 1 1 51 TYR H . 51 . HN 1 1 292 1 2 1 1 51 TYR HB3 . 51 . HB1 1 1 293 1 1 1 1 51 TYR HB3 . 51 . HB1 1 1 293 1 2 1 1 52 ASP H . 52 . HN 1 1 294 1 1 1 1 51 TYR HB2 . 51 . HB2 1 1 294 1 2 1 1 51 TYR QD . 51 . HD# 1 1 295 1 1 1 1 51 TYR H . 51 . HN 1 1 295 1 2 1 1 51 TYR HB2 . 51 . HB2 1 1 296 1 1 1 1 51 TYR H . 51 . HN 1 1 296 1 2 1 1 51 TYR QD . 51 . HD# 1 1 297 1 1 1 1 51 TYR H . 51 . HN 1 1 297 1 2 1 1 52 ASP H . 52 . HN 1 1 298 1 1 1 1 52 ASP H . 52 . HN 1 1 298 1 2 1 1 52 ASP HA . 52 . HA 1 1 299 1 1 1 1 52 ASP HA . 52 . HA 1 1 299 1 2 1 1 53 THR H . 53 . HN 1 1 300 1 1 1 1 52 ASP H . 52 . HN 1 1 300 1 2 1 1 52 ASP HB3 . 52 . HB1 1 1 301 1 1 1 1 52 ASP H . 52 . HN 1 1 301 1 2 1 1 52 ASP HB2 . 52 . HB2 1 1 302 1 1 1 1 37 LYS QB . 37 . HB1 1 1 302 1 2 1 1 52 ASP H . 52 . HN 1 1 303 1 1 1 1 53 THR H . 53 . HN 1 1 303 1 2 1 1 53 THR HA . 53 . HA 1 1 304 1 1 1 1 53 THR H . 53 . HN 1 1 304 1 2 1 1 53 THR HB . 53 . HB 1 1 305 1 1 1 1 22 CYS H . 22 . HN 1 1 305 1 2 1 1 53 THR MG . 53 . HG2# 1 1 306 1 1 1 1 53 THR H . 53 . HN 1 1 306 1 2 1 1 53 THR MG . 53 . HG2# 1 1 307 1 1 1 1 53 THR MG . 53 . HG2# 1 1 307 1 2 1 1 54 HIS H . 54 . HN 1 1 308 1 1 1 1 54 HIS H . 54 . HN 1 1 308 1 2 1 1 54 HIS HA . 54 . HA 1 1 309 1 1 1 1 54 HIS H . 54 . HN 1 1 309 1 2 1 1 54 HIS QB . 54 . HB# 1 1 310 1 1 1 1 54 HIS QB . 54 . HB# 1 1 310 1 2 1 1 55 LYS H . 55 . HN 1 1 311 1 1 1 1 54 HIS H . 54 . HN 1 1 311 1 2 1 1 55 LYS H . 55 . HN 1 1 312 1 1 1 1 22 CYS H . 22 . HN 1 1 312 1 2 1 1 55 LYS HA . 55 . HA 1 1 313 1 1 1 1 55 LYS HA . 55 . HA 1 1 313 1 2 1 1 55 LYS HB3 . 55 . HB2 1 1 314 1 1 1 1 55 LYS H . 55 . HN 1 1 314 1 2 1 1 55 LYS HA . 55 . HA 1 1 315 1 1 1 1 55 LYS HA . 55 . HA 1 1 315 1 2 1 1 56 PHE H . 56 . HN 1 1 316 1 1 1 1 55 LYS H . 55 . HN 1 1 316 1 2 1 1 55 LYS HB2 . 55 . HB1 1 1 317 1 1 1 1 55 LYS H . 55 . HN 1 1 317 1 2 1 1 55 LYS HB3 . 55 . HB2 1 1 318 1 1 1 1 55 LYS HB3 . 55 . HB2 1 1 318 1 2 1 1 56 PHE H . 56 . HN 1 1 319 1 1 1 1 55 LYS QE . 55 . HE# 1 1 319 1 2 1 1 55 LYS QZ . 55 . HZ# 1 1 320 1 1 1 1 55 LYS H . 55 . HN 1 1 320 1 2 1 1 55 LYS QG . 55 . HG# 1 1 321 1 1 1 1 56 PHE QB . 56 . HB# 1 1 321 1 2 1 1 56 PHE QD . 56 . HD# 1 1 322 1 1 1 1 56 PHE QB . 56 . HB# 1 1 322 1 2 1 1 56 PHE QE . 56 . HE# 1 1 323 1 1 1 1 56 PHE H . 56 . HN 1 1 323 1 2 1 1 56 PHE QB . 56 . HB# 1 1 324 1 1 1 1 55 LYS QG . 55 . HG# 1 1 324 1 2 1 1 56 PHE QD . 56 . HD# 1 1 325 1 1 1 1 56 PHE QD . 56 . HD# 1 1 325 1 2 1 1 57 CYS H . 57 . HN 1 1 326 1 1 1 1 55 LYS H . 55 . HN 1 1 326 1 2 1 1 56 PHE H . 56 . HN 1 1 327 1 1 1 1 57 CYS HA . 57 . HA 1 1 327 1 2 1 1 58 TYR H . 58 . HN 1 1 328 1 1 1 1 57 CYS H . 57 . HN 1 1 328 1 2 1 1 57 CYS HB3 . 57 . HB1 1 1 329 1 1 1 1 57 CYS H . 57 . HN 1 1 329 1 2 1 1 57 CYS HB2 . 57 . HB2 1 1 330 1 1 1 1 56 PHE QB . 56 . HB# 1 1 330 1 2 1 1 57 CYS H . 57 . HN 1 1 331 1 1 1 1 58 TYR HA . 58 . HA 1 1 331 1 2 1 1 58 TYR QD . 58 . HD# 1 1 332 1 1 1 1 58 TYR HA . 58 . HA 1 1 332 1 2 1 1 59 LYS H . 59 . HN 1 1 333 1 1 1 1 58 TYR QB . 58 . HB1 1 1 333 1 2 1 1 58 TYR QD . 58 . HD# 1 1 334 1 1 1 1 58 TYR H . 58 . HN 1 1 334 1 2 1 1 58 TYR QB . 58 . HB1 1 1 335 1 1 1 1 58 TYR QB . 58 . HB1 1 1 335 1 2 1 1 59 LYS H . 59 . HN 1 1 336 1 1 1 1 9 CYS H . 9 . HN 1 1 336 1 2 1 1 58 TYR QB . 58 . HB2 1 1 337 1 1 1 1 58 TYR QD . 58 . HD# 1 1 337 1 2 1 1 59 LYS H . 59 . HN 1 1 338 1 1 1 1 7 ALA MB . 7 . HB# 1 1 338 1 2 1 1 58 TYR QD . 58 . HD# 1 1 339 1 1 1 1 7 ALA MB . 7 . HB# 1 1 339 1 2 1 1 58 TYR QE . 58 . HE# 1 1 340 1 1 1 1 57 CYS HB3 . 57 . HB1 1 1 340 1 2 1 1 58 TYR H . 58 . HN 1 1 341 1 1 1 1 57 CYS HB2 . 57 . HB2 1 1 341 1 2 1 1 58 TYR H . 58 . HN 1 1 342 1 1 1 1 57 CYS H . 57 . HN 1 1 342 1 2 1 1 58 TYR H . 58 . HN 1 1 343 1 1 1 1 59 LYS H . 59 . HN 1 1 343 1 2 1 1 59 LYS HA . 59 . HA 1 1 344 1 1 1 1 59 LYS HA . 59 . HA 1 1 344 1 2 1 1 60 ALA H . 60 . HN 1 1 345 1 1 1 1 59 LYS H . 59 . HN 1 1 345 1 2 1 1 59 LYS HB3 . 59 . HB1 1 1 346 1 1 1 1 59 LYS HB3 . 59 . HB1 1 1 346 1 2 1 1 60 ALA H . 60 . HN 1 1 347 1 1 1 1 59 LYS H . 59 . HN 1 1 347 1 2 1 1 59 LYS HB2 . 59 . HB2 1 1 348 1 1 1 1 59 LYS H . 59 . HN 1 1 348 1 2 1 1 59 LYS QE . 59 . HE# 1 1 349 1 1 1 1 59 LYS H . 59 . HN 1 1 349 1 2 1 1 59 LYS HG3 . 59 . HG1 1 1 350 1 1 1 1 59 LYS H . 59 . HN 1 1 350 1 2 1 1 59 LYS HG2 . 59 . HG2 1 1 351 1 1 1 1 6 SER HA . 6 . HA 1 1 351 1 2 1 1 7 ALA H . 7 . HN 1 1 352 1 1 1 1 6 SER H . 6 . HN 1 1 352 1 2 1 1 6 SER QB . 6 . HB# 1 1 353 1 1 1 1 6 SER QB . 6 . HB# 1 1 353 1 2 1 1 7 ALA H . 7 . HN 1 1 354 1 1 1 1 60 ALA H . 60 . HN 1 1 354 1 2 1 1 60 ALA HA . 60 . HA 1 1 355 1 1 1 1 60 ALA HA . 60 . HA 1 1 355 1 2 1 1 61 CYS H . 61 . HN 1 1 356 1 1 1 1 9 CYS H . 9 . HN 1 1 356 1 2 1 1 60 ALA HA . 60 . HA 1 1 357 1 1 1 1 60 ALA H . 60 . HN 1 1 357 1 2 1 1 60 ALA MB . 60 . HB# 1 1 358 1 1 1 1 60 ALA MB . 60 . HB# 1 1 358 1 2 1 1 61 CYS H . 61 . HN 1 1 359 1 1 1 1 59 LYS HB2 . 59 . HB2 1 1 359 1 2 1 1 60 ALA H . 60 . HN 1 1 360 1 1 1 1 60 ALA H . 60 . HN 1 1 360 1 2 1 1 61 CYS H . 61 . HN 1 1 361 1 1 1 1 61 CYS H . 61 . HN 1 1 361 1 2 1 1 61 CYS HA . 61 . HA 1 1 362 1 1 1 1 61 CYS HA . 61 . HA 1 1 362 1 2 1 1 62 HIS H . 62 . HN 1 1 363 1 1 1 1 61 CYS H . 61 . HN 1 1 363 1 2 1 1 61 CYS QB . 61 . HB# 1 1 364 1 1 1 1 61 CYS H . 61 . HN 1 1 364 1 2 1 1 62 HIS H . 62 . HN 1 1 365 1 1 1 1 9 CYS H . 9 . HN 1 1 365 1 2 1 1 61 CYS H . 61 . HN 1 1 366 1 1 1 1 61 CYS H . 61 . HN 1 1 366 1 2 1 1 62 HIS HA . 62 . HA 1 1 367 1 1 1 1 62 HIS HA . 62 . HA 1 1 367 1 2 1 1 62 HIS HE1 . 62 . HE1 1 1 368 1 1 1 1 62 HIS H . 62 . HN 1 1 368 1 2 1 1 62 HIS HA . 62 . HA 1 1 369 1 1 1 1 62 HIS HB2 . 62 . HB1 1 1 369 1 2 1 1 63 ASN H . 63 . HN 1 1 370 1 1 1 1 62 HIS HB3 . 62 . HB2 1 1 370 1 2 1 1 62 HIS HE1 . 62 . HE1 1 1 371 1 1 1 1 62 HIS H . 62 . HN 1 1 371 1 2 1 1 62 HIS HB3 . 62 . HB2 1 1 372 1 1 1 1 62 HIS HB3 . 62 . HB2 1 1 372 1 2 1 1 63 ASN H . 63 . HN 1 1 373 1 1 1 1 62 HIS H . 62 . HN 1 1 373 1 2 1 1 62 HIS HB2 . 62 . HB1 1 1 374 1 1 1 1 63 ASN H . 63 . HN 1 1 374 1 2 1 1 63 ASN HA . 63 . HA 1 1 375 1 1 1 1 63 ASN HA . 63 . HA 1 1 375 1 2 1 1 64 SER H . 64 . HN 1 1 376 1 1 1 1 63 ASN H . 63 . HN 1 1 376 1 2 1 1 63 ASN HB3 . 63 . HB1 1 1 377 1 1 1 1 63 ASN HB3 . 63 . HB1 1 1 377 1 2 1 1 64 SER H . 64 . HN 1 1 378 1 1 1 1 63 ASN H . 63 . HN 1 1 378 1 2 1 1 63 ASN HB2 . 63 . HB2 1 1 379 1 1 1 1 63 ASN HB2 . 63 . HB2 1 1 379 1 2 1 1 63 ASN HD21 . 63 . HD21 1 1 380 1 1 1 1 63 ASN H . 63 . HN 1 1 380 1 2 1 1 64 SER H . 64 . HN 1 1 381 1 1 1 1 64 SER H . 64 . HN 1 1 381 1 2 1 1 64 SER HA . 64 . HA 1 1 382 1 1 1 1 64 SER HA . 64 . HA 1 1 382 1 2 1 1 65 GLU H . 65 . HN 1 1 383 1 1 1 1 64 SER H . 64 . HN 1 1 383 1 2 1 1 64 SER QB . 64 . HB# 1 1 384 1 1 1 1 65 GLU HA . 65 . HA 1 1 384 1 2 1 1 66 ILE H . 66 . HN 1 1 385 1 1 1 1 65 GLU QB . 65 . HB1 1 1 385 1 2 1 1 66 ILE H . 66 . HN 1 1 386 1 1 1 1 65 GLU H . 65 . HN 1 1 386 1 2 1 1 65 GLU QB . 65 . HB2 1 1 387 1 1 1 1 65 GLU H . 65 . HN 1 1 387 1 2 1 1 65 GLU QG . 65 . HG# 1 1 388 1 1 1 1 65 GLU H . 65 . HN 1 1 388 1 2 1 1 66 ILE H . 66 . HN 1 1 389 1 1 1 1 66 ILE HA . 66 . HA 1 1 389 1 2 1 1 67 GLU H . 67 . HN 1 1 390 1 1 1 1 66 ILE H . 66 . HN 1 1 390 1 2 1 1 66 ILE HB . 66 . HB 1 1 391 1 1 1 1 66 ILE H . 66 . HN 1 1 391 1 2 1 1 66 ILE HG13 . 66 . HG11 1 1 392 1 1 1 1 66 ILE H . 66 . HN 1 1 392 1 2 1 1 66 ILE HG12 . 66 . HG12 1 1 393 1 1 1 1 66 ILE MG . 66 . HG2# 1 1 393 1 2 1 1 67 GLU H . 67 . HN 1 1 394 1 1 1 1 67 GLU H . 67 . HN 1 1 394 1 2 1 1 67 GLU QB . 67 . HB1 1 1 395 1 1 1 1 67 GLU H . 67 . HN 1 1 395 1 2 1 1 67 GLU QG . 67 . HG# 1 1 396 1 1 1 1 66 ILE HB . 66 . HB 1 1 396 1 2 1 1 67 GLU H . 67 . HN 1 1 397 1 1 1 1 7 ALA H . 7 . HN 1 1 397 1 2 1 1 7 ALA HA . 7 . HA 1 1 398 1 1 1 1 7 ALA HA . 7 . HA 1 1 398 1 2 1 1 8 CYS H . 8 . HN 1 1 399 1 1 1 1 7 ALA H . 7 . HN 1 1 399 1 2 1 1 7 ALA MB . 7 . HB# 1 1 400 1 1 1 1 7 ALA MB . 7 . HB# 1 1 400 1 2 1 1 8 CYS H . 8 . HN 1 1 401 1 1 1 1 8 CYS HA . 8 . HA 1 1 401 1 2 1 1 58 TYR QD . 58 . HD# 1 1 402 1 1 1 1 8 CYS HA . 8 . HA 1 1 402 1 2 1 1 8 CYS HB3 . 8 . HB1 1 1 403 1 1 1 1 8 CYS HA . 8 . HA 1 1 403 1 2 1 1 8 CYS HB2 . 8 . HB2 1 1 404 1 1 1 1 8 CYS HA . 8 . HA 1 1 404 1 2 1 1 9 CYS H . 9 . HN 1 1 405 1 1 1 1 8 CYS HB2 . 8 . HB2 1 1 405 1 2 1 1 61 CYS H . 61 . HN 1 1 406 1 1 1 1 7 ALA H . 7 . HN 1 1 406 1 2 1 1 8 CYS H . 8 . HN 1 1 407 1 1 1 1 9 CYS HA . 9 . HA 1 1 407 1 2 1 1 10 ASP H . 10 . HN 1 1 408 1 1 1 1 9 CYS H . 9 . HN 1 1 408 1 2 1 1 9 CYS HA . 9 . HA 1 1 409 1 1 1 1 9 CYS QB . 9 . HB# 1 1 409 1 2 1 1 58 TYR QD . 58 . HD# 1 1 410 1 1 1 1 9 CYS QB . 9 . HB# 1 1 410 1 2 1 1 58 TYR H . 58 . HN 1 1 411 1 1 1 1 9 CYS H . 9 . HN 1 1 411 1 2 1 1 9 CYS QB . 9 . HB# 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.94 2.44 3.44 1 1 2 1 . . . . . 2.92 2.42 3.42 1 1 3 1 . . . . . 3.56 3.06 4.56 1 1 4 1 . . . . . 3.57 3.07 4.57 1 1 5 1 . . . . . 2.9 2.4 3.4 1 1 6 1 . . . . . 3.06 2.97 4.06 1 1 7 1 . . . . . 3.48 2.98 4.32 1 1 8 1 . . . . . . 3.12 4.06 1 1 9 1 . . . . . 3.19 2.69 4.19 1 1 10 1 . . . . . 2.29 1.79 2.79 1 1 11 1 . . . . . 3.0 2.5 4.0 1 1 12 1 . . . . . 3.38 2.88 4.38 1 1 13 1 . . . . . 3.77 3.27 4.55 1 1 14 1 . . . . . 3.04 2.67 4.04 1 1 15 1 . . . . . 2.37 1.87 2.87 1 1 16 1 . . . . . 3.19 2.69 4.19 1 1 17 1 . . . . . 3.15 2.65 4.15 1 1 18 1 . . . . . 3.31 2.81 4.31 1 1 19 1 . . . . . 3.14 2.64 4.14 1 1 20 1 . . . . . 2.56 2.06 3.06 1 1 21 1 . . . . . 3.2 2.7 4.2 1 1 22 1 . . . . . 2.95 2.87 3.95 1 1 23 1 . . . . . . 2.67 3.02 1 1 24 1 . . . . . 2.46 1.96 2.96 1 1 25 1 . . . . . . 2.51 2.9 1 1 26 1 . . . . . 2.82 2.6 3.32 1 1 27 1 . . . . . 2.89 2.44 3.39 1 1 28 1 . . . . . 3.62 3.12 4.62 1 1 29 1 . . . . . 3.17 2.67 4.17 1 1 30 1 . . . . . 3.09 2.64 4.09 1 1 31 1 . . . . . 3.93 3.43 4.93 1 1 32 1 . . . . . 3.32 2.82 3.98 1 1 33 1 . . . . . 3.01 2.51 4.01 1 1 34 1 . . . . . 2.72 2.22 3.22 1 1 35 1 . . . . . 3.34 2.89 4.34 1 1 36 1 . . . . . . 3.39 4.17 1 1 37 1 . . . . . 3.82 3.35 4.06 1 1 38 1 . . . . . 2.69 2.19 3.19 1 1 39 1 . . . . . 2.89 2.39 3.39 1 1 40 1 . . . . . 3.22 2.72 4.22 1 1 41 1 . . . . . 2.72 2.22 3.22 1 1 42 1 . . . . . 3.09 2.71 4.09 1 1 43 1 . . . . . 3.81 3.31 4.14 1 1 44 1 . . . . . 3.73 3.29 4.73 1 1 45 1 . . . . . 3.1 2.6 4.1 1 1 46 1 . . . . . 3.17 2.67 4.17 1 1 47 1 . . . . . 2.53 2.03 3.03 1 1 48 1 . . . . . 3.33 3.15 4.33 1 1 49 1 . . . . . 3.78 3.28 4.4 1 1 50 1 . . . . . 3.35 2.85 4.2 1 1 51 1 . . . . . 3.08 2.58 4.08 1 1 52 1 . . . . . 3.23 2.73 4.23 1 1 53 1 . . . . . 2.67 2.17 3.17 1 1 54 1 . . . . . 3.3 2.8 4.3 1 1 55 1 . . . . . 3.62 3.12 4.62 1 1 56 1 . . . . . 3.32 2.82 4.32 1 1 57 1 . . . . . 3.21 2.71 4.21 1 1 58 1 . . . . . 3.52 3.02 4.52 1 1 59 1 . . . . . 3.09 2.59 3.99 1 1 60 1 . . . . . 3.88 3.38 4.88 1 1 61 1 . . . . . 2.72 2.22 3.22 1 1 62 1 . . . . . 3.73 3.23 4.73 1 1 63 1 . . . . . 3.94 3.44 4.94 1 1 64 1 . . . . . 3.02 2.52 4.02 1 1 65 1 . . . . . 2.76 2.26 3.26 1 1 66 1 . . . . . 3.62 3.12 4.62 1 1 67 1 . . . . . 2.63 2.13 3.13 1 1 68 1 . . . . . 3.32 2.82 4.32 1 1 69 1 . . . . . 3.89 3.39 4.89 1 1 70 1 . . . . . 3.47 2.97 4.47 1 1 71 1 . . . . . 3.52 3.4 4.52 1 1 72 1 . . . . . 3.4 3.08 4.4 1 1 73 1 . . . . . 3.67 3.17 4.67 1 1 74 1 . . . . . 3.81 3.31 4.81 1 1 75 1 . . . . . 3.71 3.21 4.71 1 1 76 1 . . . . . 3.1 2.6 4.1 1 1 77 1 . . . . . 2.57 2.07 3.07 1 1 78 1 . . . . . . 3.25 4.09 1 1 79 1 . . . . . 2.87 2.55 3.37 1 1 80 1 . . . . . 3.55 3.05 4.25 1 1 81 1 . . . . . 2.87 2.37 3.37 1 1 82 1 . . . . . 2.95 2.45 3.95 1 1 83 1 . . . . . 2.49 1.99 2.99 1 1 84 1 . . . . . 3.55 3.05 4.55 1 1 85 1 . . . . . 3.39 3.13 4.39 1 1 86 1 . . . . . 2.66 2.43 3.16 1 1 87 1 . . . . . 2.95 2.45 3.26 1 1 88 1 . . . . . 3.53 3.03 4.53 1 1 89 1 . . . . . 3.26 2.76 4.26 1 1 90 1 . . . . . 3.59 3.34 4.59 1 1 91 1 . . . . . 3.52 3.02 4.52 1 1 92 1 . . . . . 3.09 3.0 4.09 1 1 93 1 . . . . . 2.45 1.95 2.95 1 1 94 1 . . . . . 3.14 2.64 4.14 1 1 95 1 . . . . . 3.18 2.68 4.18 1 1 96 1 . . . . . 2.53 2.03 3.03 1 1 97 1 . . . . . 3.66 3.16 4.66 1 1 98 1 . . . . . 2.74 2.66 3.24 1 1 99 1 . . . . . 2.82 2.32 3.32 1 1 100 1 . . . . . 3.3 2.8 4.3 1 1 101 1 . . . . . 3.81 3.31 4.44 1 1 102 1 . . . . . 2.61 2.22 3.11 1 1 103 1 . . . . . 3.54 3.04 4.32 1 1 104 1 . . . . . 2.83 2.33 3.3 1 1 105 1 . . . . . 3.07 2.57 4.07 1 1 106 1 . . . . . 2.73 2.23 3.23 1 1 107 1 . . . . . 2.89 2.7 3.39 1 1 108 1 . . . . . 3.0 2.5 4.0 1 1 109 1 . . . . . 2.32 1.82 2.82 1 1 110 1 . . . . . 3.33 2.83 4.33 1 1 111 1 . . . . . 2.74 2.28 3.24 1 1 112 1 . . . . . 2.98 2.85 3.42 1 1 113 1 . . . . . 3.47 2.97 4.09 1 1 114 1 . . . . . 3.18 2.68 4.18 1 1 115 1 . . . . . 2.7 2.2 3.2 1 1 116 1 . . . . . 3.47 3.4 4.47 1 1 117 1 . . . . . 3.17 2.67 3.43 1 1 118 1 . . . . . 2.77 2.6 3.27 1 1 119 1 . . . . . 3.09 2.59 3.27 1 1 120 1 . . . . . 3.03 2.74 4.03 1 1 121 1 . . . . . 3.69 3.19 4.69 1 1 122 1 . . . . . 3.74 3.24 4.64 1 1 123 1 . . . . . 3.55 3.05 4.55 1 1 124 1 . . . . . 3.08 2.58 4.0 1 1 125 1 . . . . . 3.19 2.69 4.19 1 1 126 1 . . . . . 3.49 2.99 4.49 1 1 127 1 . . . . . 2.69 2.19 3.19 1 1 128 1 . . . . . 3.59 3.19 4.59 1 1 129 1 . . . . . 2.49 1.99 2.99 1 1 130 1 . . . . . 3.0 2.86 4.0 1 1 131 1 . . . . . 2.66 2.49 3.16 1 1 132 1 . . . . . 2.46 1.96 2.96 1 1 133 1 . . . . . 2.89 2.39 3.36 1 1 134 1 . . . . . 2.74 2.24 3.24 1 1 135 1 . . . . . 3.15 2.65 4.15 1 1 136 1 . . . . . 3.46 3.15 4.46 1 1 137 1 . . . . . 3.91 3.41 4.65 1 1 138 1 . . . . . 3.65 3.15 4.65 1 1 139 1 . . . . . 2.92 2.47 3.42 1 1 140 1 . . . . . 3.14 2.64 4.14 1 1 141 1 . . . . . 3.1 2.6 4.1 1 1 142 1 . . . . . 3.42 2.92 4.42 1 1 143 1 . . . . . 2.56 2.06 3.06 1 1 144 1 . . . . . 2.96 2.92 3.96 1 1 145 1 . . . . . 3.89 3.39 4.89 1 1 146 1 . . . . . 3.15 2.65 4.15 1 1 147 1 . . . . . . 2.95 3.35 1 1 148 1 . . . . . 2.89 2.39 3.39 1 1 149 1 . . . . . 2.99 2.49 3.99 1 1 150 1 . . . . . 3.38 3.06 4.19 1 1 151 1 . . . . . . 3.21 4.05 1 1 152 1 . . . . . 3.14 3.05 4.14 1 1 153 1 . . . . . 3.72 3.3 4.72 1 1 154 1 . . . . . 3.71 3.21 4.71 1 1 155 1 . . . . . 2.91 2.41 3.41 1 1 156 1 . . . . . 2.78 2.28 3.28 1 1 157 1 . . . . . 3.73 3.23 4.73 1 1 158 1 . . . . . 2.6 2.1 3.1 1 1 159 1 . . . . . 2.83 2.33 3.33 1 1 160 1 . . . . . 2.65 2.24 3.15 1 1 161 1 . . . . . 3.35 3.19 4.35 1 1 162 1 . . . . . 2.8 2.3 3.3 1 1 163 1 . . . . . 3.06 2.56 4.0 1 1 164 1 . . . . . 3.12 2.62 4.12 1 1 165 1 . . . . . 2.74 2.24 3.24 1 1 166 1 . . . . . 2.82 2.72 3.32 1 1 167 1 . . . . . 2.91 2.67 3.41 1 1 168 1 . . . . . 3.49 2.99 4.49 1 1 169 1 . . . . . 3.45 2.95 4.45 1 1 170 1 . . . . . 2.9 2.4 3.38 1 1 171 1 . . . . . 3.07 2.57 4.07 1 1 172 1 . . . . . 3.01 2.55 4.01 1 1 173 1 . . . . . 3.48 3.19 4.48 1 1 174 1 . . . . . 3.75 3.25 4.56 1 1 175 1 . . . . . 3.66 3.16 4.63 1 1 176 1 . . . . . 3.7 3.2 4.7 1 1 177 1 . . . . . 3.42 2.92 4.42 1 1 178 1 . . . . . 3.14 2.64 4.14 1 1 179 1 . . . . . 3.63 3.13 4.63 1 1 180 1 . . . . . 2.25 1.75 2.75 1 1 181 1 . . . . . 3.56 3.06 4.56 1 1 182 1 . . . . . 2.37 2.17 2.87 1 1 183 1 . . . . . 2.4 2.14 2.9 1 1 184 1 . . . . . 2.63 2.13 3.13 1 1 185 1 . . . . . 2.61 2.11 3.11 1 1 186 1 . . . . . 2.86 2.36 3.36 1 1 187 1 . . . . . 2.63 2.4 3.13 1 1 188 1 . . . . . 3.01 2.51 3.94 1 1 189 1 . . . . . 3.39 3.04 4.39 1 1 190 1 . . . . . 3.64 3.14 4.48 1 1 191 1 . . . . . 2.36 1.86 2.86 1 1 192 1 . . . . . 3.2 2.7 4.18 1 1 193 1 . . . . . 3.59 3.09 4.56 1 1 194 1 . . . . . 2.84 2.34 3.34 1 1 195 1 . . . . . 2.54 2.04 3.04 1 1 196 1 . . . . . 3.73 3.23 4.61 1 1 197 1 . . . . . 3.66 3.16 4.66 1 1 198 1 . . . . . 3.33 2.83 4.33 1 1 199 1 . . . . . 3.22 2.72 4.22 1 1 200 1 . . . . . 3.48 2.98 4.48 1 1 201 1 . . . . . 3.07 2.7 4.07 1 1 202 1 . . . . . 3.08 2.74 4.08 1 1 203 1 . . . . . 3.36 2.86 4.04 1 1 204 1 . . . . . 2.95 2.45 3.95 1 1 205 1 . . . . . 2.46 1.96 2.96 1 1 206 1 . . . . . 2.38 1.88 2.88 1 1 207 1 . . . . . 3.12 2.62 4.12 1 1 208 1 . . . . . 2.65 2.37 3.15 1 1 209 1 . . . . . 3.29 2.79 4.29 1 1 210 1 . . . . . 3.09 2.75 4.09 1 1 211 1 . . . . . 3.12 2.62 4.12 1 1 212 1 . . . . . 2.97 2.47 3.97 1 1 213 1 . . . . . 2.44 1.94 2.94 1 1 214 1 . . . . . 2.6 2.18 3.1 1 1 215 1 . . . . . 3.62 3.12 4.5 1 1 216 1 . . . . . 3.84 3.34 4.84 1 1 217 1 . . . . . 2.85 2.35 3.35 1 1 218 1 . . . . . 3.59 3.09 4.4 1 1 219 1 . . . . . 3.18 2.68 3.2 1 1 220 1 . . . . . 3.07 2.57 4.07 1 1 221 1 . . . . . 3.1 2.6 4.1 1 1 222 1 . . . . . 2.75 2.25 3.25 1 1 223 1 . . . . . 2.86 2.36 3.36 1 1 224 1 . . . . . 3.29 2.79 3.95 1 1 225 1 . . . . . 3.0 2.75 4.0 1 1 226 1 . . . . . 2.96 2.46 3.96 1 1 227 1 . . . . . 3.0 2.5 4.0 1 1 228 1 . . . . . 3.46 2.96 4.46 1 1 229 1 . . . . . 3.27 2.77 4.27 1 1 230 1 . . . . . 2.55 2.05 3.05 1 1 231 1 . . . . . 3.91 3.41 4.91 1 1 232 1 . . . . . 2.71 2.21 3.21 1 1 233 1 . . . . . 3.39 2.89 4.39 1 1 234 1 . . . . . 3.14 2.64 4.14 1 1 235 1 . . . . . 3.79 3.29 4.79 1 1 236 1 . . . . . 3.67 3.17 4.67 1 1 237 1 . . . . . 2.84 2.34 3.34 1 1 238 1 . . . . . 2.8 2.3 3.3 1 1 239 1 . . . . . 3.47 2.97 4.47 1 1 240 1 . . . . . 3.62 3.19 4.62 1 1 241 1 . . . . . 3.03 2.76 4.03 1 1 242 1 . . . . . 3.45 3.04 4.45 1 1 243 1 . . . . . 2.89 2.39 3.37 1 1 244 1 . . . . . 3.06 2.56 4.06 1 1 245 1 . . . . . 3.61 3.11 4.17 1 1 246 1 . . . . . 3.89 3.39 4.89 1 1 247 1 . . . . . 3.41 2.91 4.41 1 1 248 1 . . . . . 2.45 1.95 2.95 1 1 249 1 . . . . . 2.36 1.86 2.86 1 1 250 1 . . . . . 3.4 2.9 4.4 1 1 251 1 . . . . . 3.19 2.78 4.19 1 1 252 1 . . . . . 3.71 3.21 4.67 1 1 253 1 . . . . . 3.61 3.38 4.61 1 1 254 1 . . . . . 3.33 2.83 4.33 1 1 255 1 . . . . . 3.77 3.27 4.77 1 1 256 1 . . . . . 2.98 2.55 3.98 1 1 257 1 . . . . . 3.44 2.94 4.44 1 1 258 1 . . . . . 2.96 2.46 3.96 1 1 259 1 . . . . . 3.3 2.8 4.3 1 1 260 1 . . . . . 2.38 1.88 2.88 1 1 261 1 . . . . . 3.45 3.03 4.45 1 1 262 1 . . . . . 3.03 2.94 4.03 1 1 263 1 . . . . . 2.85 2.85 3.35 1 1 264 1 . . . . . 2.45 1.95 2.95 1 1 265 1 . . . . . 2.49 1.99 2.99 1 1 266 1 . . . . . 3.47 3.27 4.06 1 1 267 1 . . . . . 3.64 3.14 4.64 1 1 268 1 . . . . . 3.56 3.06 4.56 1 1 269 1 . . . . . 3.03 2.53 4.03 1 1 270 1 . . . . . 3.12 2.62 3.98 1 1 271 1 . . . . . 2.95 2.45 3.45 1 1 272 1 . . . . . 2.61 2.11 3.11 1 1 273 1 . . . . . 3.02 2.89 3.22 1 1 274 1 . . . . . 3.79 3.29 4.79 1 1 275 1 . . . . . 3.43 2.93 4.43 1 1 276 1 . . . . . 3.22 2.94 4.22 1 1 277 1 . . . . . 3.77 3.27 4.77 1 1 278 1 . . . . . 3.27 2.77 4.27 1 1 279 1 . . . . . 3.16 2.66 3.43 1 1 280 1 . . . . . 3.2 2.7 4.2 1 1 281 1 . . . . . 2.46 1.96 2.96 1 1 282 1 . . . . . 3.49 2.99 4.49 1 1 283 1 . . . . . 3.14 2.64 4.14 1 1 284 1 . . . . . 3.91 3.41 4.91 1 1 285 1 . . . . . 3.2 2.71 4.2 1 1 286 1 . . . . . 3.21 2.71 4.21 1 1 287 1 . . . . . 3.18 2.68 4.18 1 1 288 1 . . . . . 3.87 3.37 4.87 1 1 289 1 . . . . . 3.19 2.69 4.19 1 1 290 1 . . . . . 3.13 2.63 4.13 1 1 291 1 . . . . . 3.13 2.86 4.13 1 1 292 1 . . . . . . 3.22 4.13 1 1 293 1 . . . . . 3.68 3.18 4.68 1 1 294 1 . . . . . 3.2 2.89 4.2 1 1 295 1 . . . . . 2.75 2.47 3.25 1 1 296 1 . . . . . 3.27 2.77 4.26 1 1 297 1 . . . . . 3.01 2.51 3.45 1 1 298 1 . . . . . 3.35 2.85 4.35 1 1 299 1 . . . . . 2.3 1.8 2.8 1 1 300 1 . . . . . 3.04 2.64 4.04 1 1 301 1 . . . . . 3.3 2.81 4.3 1 1 302 1 . . . . . 3.86 3.36 4.86 1 1 303 1 . . . . . 3.21 2.71 4.21 1 1 304 1 . . . . . 3.44 2.94 4.44 1 1 305 1 . . . . . 3.84 3.34 4.84 1 1 306 1 . . . . . 3.12 2.69 4.12 1 1 307 1 . . . . . 3.7 3.2 4.7 1 1 308 1 . . . . . 2.51 2.01 3.01 1 1 309 1 . . . . . 3.47 3.15 4.47 1 1 310 1 . . . . . 2.8 2.33 3.3 1 1 311 1 . . . . . 2.95 2.45 3.45 1 1 312 1 . . . . . 3.49 2.99 4.49 1 1 313 1 . . . . . 3.2 2.7 4.2 1 1 314 1 . . . . . 2.82 2.32 3.32 1 1 315 1 . . . . . 3.35 2.85 4.35 1 1 316 1 . . . . . 3.3 2.8 4.3 1 1 317 1 . . . . . 2.76 2.37 3.26 1 1 318 1 . . . . . 3.34 2.84 4.34 1 1 319 1 . . . . . 2.67 2.17 3.67 1 1 320 1 . . . . . 2.95 2.5 3.95 1 1 321 1 . . . . . 2.58 2.27 3.58 1 1 322 1 . . . . . 3.43 2.93 4.43 1 1 323 1 . . . . . 3.66 3.37 4.66 1 1 324 1 . . . . . 3.38 2.88 4.38 1 1 325 1 . . . . . 3.14 2.83 4.14 1 1 326 1 . . . . . 3.92 3.42 4.92 1 1 327 1 . . . . . 2.51 2.01 3.01 1 1 328 1 . . . . . 3.09 2.94 4.09 1 1 329 1 . . . . . 2.83 2.63 3.33 1 1 330 1 . . . . . 2.77 2.27 3.27 1 1 331 1 . . . . . 2.84 2.34 3.84 1 1 332 1 . . . . . 2.52 2.02 3.02 1 1 333 1 . . . . . 3.01 2.51 3.98 1 1 334 1 . . . . . 3.09 2.97 3.4 1 1 335 1 . . . . . 2.86 2.81 3.36 1 1 336 1 . . . . . 3.68 3.18 4.63 1 1 337 1 . . . . . 3.61 3.27 4.61 1 1 338 1 . . . . . 3.21 2.71 4.02 1 1 339 1 . . . . . 3.19 2.99 4.19 1 1 340 1 . . . . . 3.49 2.99 4.49 1 1 341 1 . . . . . 3.76 3.26 4.76 1 1 342 1 . . . . . 3.1 2.6 4.1 1 1 343 1 . . . . . 2.47 1.97 2.97 1 1 344 1 . . . . . 2.45 1.95 2.95 1 1 345 1 . . . . . 2.84 2.34 3.34 1 1 346 1 . . . . . 2.72 2.51 3.22 1 1 347 1 . . . . . 2.98 2.48 3.26 1 1 348 1 . . . . . 3.47 2.97 4.47 1 1 349 1 . . . . . 3.07 2.57 4.07 1 1 350 1 . . . . . 3.31 2.81 4.31 1 1 351 1 . . . . . 2.6 2.1 3.1 1 1 352 1 . . . . . 2.95 2.45 3.45 1 1 353 1 . . . . . 3.1 2.6 4.1 1 1 354 1 . . . . . 3.05 2.55 4.05 1 1 355 1 . . . . . 2.46 1.96 2.96 1 1 356 1 . . . . . 3.22 2.72 4.22 1 1 357 1 . . . . . 2.44 1.96 2.94 1 1 358 1 . . . . . 2.86 2.42 3.36 1 1 359 1 . . . . . 3.12 2.62 4.12 1 1 360 1 . . . . . 3.71 3.21 4.71 1 1 361 1 . . . . . 2.76 2.26 3.26 1 1 362 1 . . . . . 2.84 2.34 3.34 1 1 363 1 . . . . . 2.61 2.5 3.11 1 1 364 1 . . . . . 2.91 2.58 3.41 1 1 365 1 . . . . . 3.49 3.18 4.49 1 1 366 1 . . . . . 3.85 3.35 4.85 1 1 367 1 . . . . . 3.89 3.39 4.89 1 1 368 1 . . . . . 3.09 2.59 4.09 1 1 369 1 . . . . . 3.27 2.77 4.27 1 1 370 1 . . . . . 3.87 3.37 4.87 1 1 371 1 . . . . . 3.67 3.17 4.67 1 1 372 1 . . . . . 3.47 2.97 4.47 1 1 373 1 . . . . . 3.19 2.69 4.19 1 1 374 1 . . . . . 2.31 1.81 2.81 1 1 375 1 . . . . . 2.78 2.28 3.28 1 1 376 1 . . . . . 3.48 3.27 4.48 1 1 377 1 . . . . . 3.3 3.27 4.3 1 1 378 1 . . . . . 3.25 3.2 4.25 1 1 379 1 . . . . . 3.93 3.43 4.93 1 1 380 1 . . . . . 2.53 2.03 3.03 1 1 381 1 . . . . . 3.41 2.91 4.41 1 1 382 1 . . . . . 2.85 2.35 3.35 1 1 383 1 . . . . . 2.49 1.99 2.99 1 1 384 1 . . . . . 2.85 2.35 3.35 1 1 385 1 . . . . . 3.86 3.36 4.25 1 1 386 1 . . . . . 3.11 2.62 4.11 1 1 387 1 . . . . . 3.35 2.85 4.35 1 1 388 1 . . . . . 3.11 2.61 4.02 1 1 389 1 . . . . . 2.99 2.49 3.99 1 1 390 1 . . . . . 3.28 2.78 4.23 1 1 391 1 . . . . . 3.61 3.11 4.33 1 1 392 1 . . . . . 3.8 3.3 4.53 1 1 393 1 . . . . . 3.49 2.99 4.49 1 1 394 1 . . . . . 3.91 3.41 4.35 1 1 395 1 . . . . . 3.59 3.09 4.59 1 1 396 1 . . . . . 2.69 2.19 3.19 1 1 397 1 . . . . . 3.12 2.62 4.12 1 1 398 1 . . . . . 2.51 2.01 3.01 1 1 399 1 . . . . . 2.74 2.25 3.24 1 1 400 1 . . . . . 3.16 2.68 4.16 1 1 401 1 . . . . . 3.88 3.38 4.88 1 1 402 1 . . . . . 2.7 2.2 3.2 1 1 403 1 . . . . . 2.87 2.37 3.37 1 1 404 1 . . . . . 2.67 2.17 3.17 1 1 405 1 . . . . . 3.54 3.04 4.54 1 1 406 1 . . . . . 3.27 2.77 4.27 1 1 407 1 . . . . . 3.01 2.51 4.01 1 1 408 1 . . . . . 3.31 2.81 4.31 1 1 409 1 . . . . . 3.72 3.22 4.72 1 1 410 1 . . . . . 3.31 2.81 4.31 1 1 411 1 . . . . . 2.53 2.37 3.03 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _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 2 2 1 . . . 1 2 3 1 . . . 1 2 4 1 . . . 1 2 5 1 . . . 1 2 6 1 . . . 1 2 7 1 . . . 1 2 8 1 . . . 1 2 9 1 . . . 1 2 10 1 . . . 1 2 11 1 . . . 1 2 12 1 . . . 1 2 13 1 . . . 1 2 14 1 . . . 1 2 15 1 . . . 1 2 16 1 . . . 1 2 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 37 LYS O . 37 . O 1 2 1 1 2 1 1 51 TYR H . 51 . HN 1 2 2 1 1 1 1 37 LYS O . 37 . O 1 2 2 1 2 1 1 51 TYR N . 51 . N 1 2 3 1 1 1 1 39 VAL H . 39 . HN 1 2 3 1 2 1 1 49 GLN O . 49 . O 1 2 4 1 1 1 1 39 VAL N . 39 . N 1 2 4 1 2 1 1 49 GLN O . 49 . O 1 2 5 1 1 1 1 39 VAL O . 39 . O 1 2 5 1 2 1 1 49 GLN H . 49 . HN 1 2 6 1 1 1 1 39 VAL O . 39 . O 1 2 6 1 2 1 1 49 GLN N . 49 . N 1 2 7 1 1 1 1 41 ALA O . 41 . O 1 2 7 1 2 1 1 47 GLN H . 47 . HN 1 2 8 1 1 1 1 41 ALA O . 41 . O 1 2 8 1 2 1 1 47 GLN N . 47 . N 1 2 9 1 1 1 1 13 LEU H . 13 . HN 1 2 9 1 2 1 1 23 ARG O . 23 . O 1 2 10 1 1 1 1 13 LEU N . 13 . N 1 2 10 1 2 1 1 23 ARG O . 23 . O 1 2 11 1 1 1 1 13 LEU O . 13 . O 1 2 11 1 2 1 1 23 ARG H . 23 . HN 1 2 12 1 1 1 1 13 LEU O . 13 . O 1 2 12 1 2 1 1 23 ARG N . 23 . N 1 2 13 1 1 1 1 11 THR O . 11 . O 1 2 13 1 2 1 1 25 VAL H . 25 . HN 1 2 14 1 1 1 1 11 THR O . 11 . O 1 2 14 1 2 1 1 25 VAL N . 25 . N 1 2 15 1 1 1 1 28 ARG H . 28 . HN 1 2 15 1 2 1 1 48 CYS O . 48 . O 1 2 16 1 1 1 1 28 ARG N . 28 . N 1 2 16 1 2 1 1 48 CYS O . 48 . O 1 2 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 . . . . . 2.0 1.8 2.2 1 2 2 1 . . . . . 3.0 2.8 3.2 1 2 3 1 . . . . . 2.0 1.8 2.2 1 2 4 1 . . . . . 3.0 2.8 3.2 1 2 5 1 . . . . . 2.0 1.8 2.2 1 2 6 1 . . . . . 3.0 2.8 3.2 1 2 7 1 . . . . . 2.0 1.8 2.2 1 2 8 1 . . . . . 3.0 2.8 3.2 1 2 9 1 . . . . . 2.0 1.8 2.2 1 2 10 1 . . . . . 3.0 2.8 3.2 1 2 11 1 . . . . . 2.0 1.8 2.2 1 2 12 1 . . . . . 3.0 2.8 3.2 1 2 13 1 . . . . . 2.0 1.8 2.2 1 2 14 1 . . . . . 3.0 2.8 3.2 1 2 15 1 . . . . . 2.0 1.8 2.2 1 2 16 1 . . . . . 3.0 2.8 3.2 1 2 stop_ save_ save_CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 3 ASP C 1 1 4 VAL N 1 1 4 VAL CA 1 1 4 VAL C -179.99998 0.0 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1 2 . 1 1 4 VAL C 1 1 5 LYS N 1 1 5 LYS CA 1 1 5 LYS C -179.99998 0.0 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1 3 . 1 1 6 SER C 1 1 7 ALA N 1 1 7 ALA CA 1 1 7 ALA C -179.99998 0.0 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1 4 . 1 1 7 ALA C 1 1 8 CYS N 1 1 8 CYS CA 1 1 8 CYS C -179.99998 0.0 . 7 . C . 8 . N . 8 . CA . 8 . C 1 1 5 . 1 1 8 CYS C 1 1 9 CYS N 1 1 9 CYS CA 1 1 9 CYS C -179.99998 0.0 . 8 . C . 9 . N . 9 . CA . 9 . C 1 1 6 . 1 1 14 CYS C 1 1 15 THR N 1 1 15 THR CA 1 1 15 THR C -179.99998 0.0 . 14 . C . 15 . N . 15 . CA . 15 . C 1 1 7 . 1 1 16 ARG C 1 1 17 SER N 1 1 17 SER CA 1 1 17 SER C -179.99998 0.0 . 16 . C . 17 . N . 17 . CA . 17 . C 1 1 8 . 1 1 23 ARG C 1 1 24 CYS N 1 1 24 CYS CA 1 1 24 CYS C -179.99998 0.0 . 23 . C . 24 . N . 24 . CA . 24 . C 1 1 9 . 1 1 26 ASP C 1 1 27 VAL N 1 1 27 VAL CA 1 1 27 VAL C -179.99998 0.0 . 26 . C . 27 . N . 27 . CA . 27 . C 1 1 10 . 1 1 27 VAL C 1 1 28 ARG N 1 1 28 ARG CA 1 1 28 ARG C -179.99998 0.0 . 27 . C . 28 . N . 28 . CA . 28 . C 1 1 11 . 1 1 30 SER C 1 1 31 CYS N 1 1 31 CYS CA 1 1 31 CYS C -179.99998 0.0 . 30 . C . 31 . N . 31 . CA . 31 . C 1 1 12 . 1 1 31 CYS C 1 1 32 HIS N 1 1 32 HIS CA 1 1 32 HIS C -179.99998 0.0 . 31 . C . 32 . N . 32 . CA . 32 . C 1 1 13 . 1 1 32 HIS C 1 1 33 SER N 1 1 33 SER CA 1 1 33 SER C -179.99998 0.0 . 32 . C . 33 . N . 33 . CA . 33 . C 1 1 14 . 1 1 33 SER C 1 1 34 ALA N 1 1 34 ALA CA 1 1 34 ALA C -179.99998 0.0 . 33 . C . 34 . N . 34 . CA . 34 . C 1 1 15 . 1 1 34 ALA C 1 1 35 CYS N 1 1 35 CYS CA 1 1 35 CYS C -179.99998 0.0 . 34 . C . 35 . N . 35 . CA . 35 . C 1 1 16 . 1 1 36 ASP C 1 1 37 LYS N 1 1 37 LYS CA 1 1 37 LYS C -179.99998 0.0 . 36 . C . 37 . N . 37 . CA . 37 . C 1 1 17 . 1 1 42 TYR C 1 1 43 SER N 1 1 43 SER CA 1 1 43 SER C -179.99998 0.0 . 42 . C . 43 . N . 43 . CA . 43 . C 1 1 18 . 1 1 52 ASP C 1 1 53 THR N 1 1 53 THR CA 1 1 53 THR C -179.99998 0.0 . 52 . C . 53 . N . 53 . CA . 53 . C 1 1 19 . 1 1 54 HIS C 1 1 55 LYS N 1 1 55 LYS CA 1 1 55 LYS C -179.99998 0.0 . 54 . C . 55 . N . 55 . CA . 55 . C 1 1 20 . 1 1 55 LYS C 1 1 56 PHE N 1 1 56 PHE CA 1 1 56 PHE C -179.99998 0.0 . 55 . C . 56 . N . 56 . CA . 56 . C 1 1 21 . 1 1 56 PHE C 1 1 57 CYS N 1 1 57 CYS CA 1 1 57 CYS C -179.99998 0.0 . 56 . C . 57 . N . 57 . CA . 57 . C 1 1 22 . 1 1 57 CYS C 1 1 58 TYR N 1 1 58 TYR CA 1 1 58 TYR C -179.99998 0.0 . 57 . C . 58 . N . 58 . CA . 58 . C 1 1 23 . 1 1 59 LYS C 1 1 60 ALA N 1 1 60 ALA CA 1 1 60 ALA C -179.99998 0.0 . 59 . C . 60 . N . 60 . CA . 60 . C 1 1 24 . 1 1 60 ALA C 1 1 61 CYS N 1 1 61 CYS CA 1 1 61 CYS C -179.99998 0.0 . 60 . C . 61 . N . 61 . CA . 61 . C 1 1 25 . 1 1 61 CYS C 1 1 62 HIS N 1 1 62 HIS CA 1 1 62 HIS C -179.99998 0.0 . 61 . C . 62 . N . 62 . CA . 62 . C 1 1 26 . 1 1 63 ASN C 1 1 64 SER N 1 1 64 SER CA 1 1 64 SER C -179.99998 0.0 . 63 . C . 64 . N . 64 . CA . 64 . C 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 5.507 -15.572 7.138 1.00 . A A . 1 GLY C 1 1 1 2 1 1 1 GLY CA C 5.573 -16.495 8.313 1.00 . A A . 1 GLY CA 1 1 1 3 1 1 1 GLY H1 H 6.970 -15.234 9.194 1.00 . A A . 1 GLY H1 1 1 1 4 1 1 1 GLY H2 H 6.526 -16.561 10.157 1.00 . A A . 1 GLY H2 1 1 1 5 1 1 1 GLY H3 H 5.458 -15.253 9.967 1.00 . A A . 1 GLY H3 1 1 1 6 1 1 1 GLY HA2 H 6.215 -17.322 8.052 1.00 . A A . 1 GLY HA2 1 1 1 7 1 1 1 GLY HA3 H 4.575 -16.785 8.601 1.00 . A A . 1 GLY HA3 1 1 1 8 1 1 1 GLY N N 6.179 -15.838 9.495 1.00 . A A . 1 GLY N 1 1 1 9 1 1 1 GLY O O 6.325 -14.672 6.969 1.00 . A A . 1 GLY O 1 1 1 10 1 1 2 ASP C C 2.992 -15.184 4.427 1.00 . A A . 2 ASP C 1 1 1 11 1 1 2 ASP CA C 4.424 -15.141 4.963 1.00 . A A . 2 ASP CA 1 1 1 12 1 1 2 ASP CB C 5.280 -15.834 3.859 1.00 . A A . 2 ASP CB 1 1 1 13 1 1 2 ASP CG C 6.675 -16.243 4.298 1.00 . A A . 2 ASP CG 1 1 1 14 1 1 2 ASP H H 3.943 -16.598 6.412 1.00 . A A . 2 ASP H 1 1 1 15 1 1 2 ASP HA H 4.690 -14.101 5.069 1.00 . A A . 2 ASP HA 1 1 1 16 1 1 2 ASP HB2 H 4.760 -16.745 3.497 1.00 . A A . 2 ASP HB2 1 1 1 17 1 1 2 ASP HB3 H 5.391 -15.145 2.997 1.00 . A A . 2 ASP HB3 1 1 1 18 1 1 2 ASP HD2 H 7.646 -17.825 4.827 1.00 . A A . 2 ASP HD2 1 1 1 19 1 1 2 ASP N N 4.528 -15.797 6.250 1.00 . A A . 2 ASP N 1 1 1 20 1 1 2 ASP O O 2.679 -14.551 3.426 1.00 . A A . 2 ASP O 1 1 1 21 1 1 2 ASP OD1 O 7.680 -15.560 4.317 1.00 . A A . 2 ASP OD1 1 1 1 22 1 1 2 ASP OD2 O 6.724 -17.569 4.673 1.00 . A A . 2 ASP OD2 1 1 1 23 1 1 3 ASP C C -0.219 -14.943 5.335 1.00 . A A . 3 ASP C 1 1 1 24 1 1 3 ASP CA C 0.661 -15.982 4.649 1.00 . A A . 3 ASP CA 1 1 1 25 1 1 3 ASP CB C 0.110 -17.428 4.806 1.00 . A A . 3 ASP CB 1 1 1 26 1 1 3 ASP CG C 0.077 -17.949 6.241 1.00 . A A . 3 ASP CG 1 1 1 27 1 1 3 ASP H H 2.275 -16.365 5.932 1.00 . A A . 3 ASP H 1 1 1 28 1 1 3 ASP HA H 0.606 -15.730 3.603 1.00 . A A . 3 ASP HA 1 1 1 29 1 1 3 ASP HB2 H -0.919 -17.471 4.401 1.00 . A A . 3 ASP HB2 1 1 1 30 1 1 3 ASP HB3 H 0.748 -18.088 4.190 1.00 . A A . 3 ASP HB3 1 1 1 31 1 1 3 ASP HD2 H 1.083 -19.483 5.549 1.00 . A A . 3 ASP HD2 1 1 1 32 1 1 3 ASP N N 2.052 -15.901 5.078 1.00 . A A . 3 ASP N 1 1 1 33 1 1 3 ASP O O -1.442 -15.053 5.411 1.00 . A A . 3 ASP O 1 1 1 34 1 1 3 ASP OD1 O -0.401 -17.373 7.200 1.00 . A A . 3 ASP OD1 1 1 1 35 1 1 3 ASP OD2 O 0.638 -19.202 6.373 1.00 . A A . 3 ASP OD2 1 1 1 36 1 1 4 VAL C C -0.968 -11.857 6.044 1.00 . A A . 4 VAL C 1 1 1 37 1 1 4 VAL CA C -0.125 -12.913 6.746 1.00 . A A . 4 VAL CA 1 1 1 38 1 1 4 VAL CB C 0.955 -12.306 7.646 1.00 . A A . 4 VAL CB 1 1 1 39 1 1 4 VAL CG1 C 1.829 -11.257 6.926 1.00 . A A . 4 VAL CG1 1 1 1 40 1 1 4 VAL CG2 C 0.354 -11.754 8.951 1.00 . A A . 4 VAL CG2 1 1 1 41 1 1 4 VAL H H 1.403 -13.889 5.654 1.00 . A A . 4 VAL H 1 1 1 42 1 1 4 VAL HA H -0.787 -13.446 7.408 1.00 . A A . 4 VAL HA 1 1 1 43 1 1 4 VAL HB H 1.616 -13.144 7.970 1.00 . A A . 4 VAL HB 1 1 1 44 1 1 4 VAL HG11 H 2.622 -10.895 7.616 1.00 . A A . 4 VAL HG11 1 1 1 45 1 1 4 VAL HG12 H 1.233 -10.378 6.611 1.00 . A A . 4 VAL HG12 1 1 1 46 1 1 4 VAL HG13 H 2.322 -11.684 6.029 1.00 . A A . 4 VAL HG13 1 1 1 47 1 1 4 VAL HG21 H -0.323 -10.898 8.768 1.00 . A A . 4 VAL HG21 1 1 1 48 1 1 4 VAL HG22 H 1.170 -11.400 9.618 1.00 . A A . 4 VAL HG22 1 1 1 49 1 1 4 VAL HG23 H -0.204 -12.549 9.487 1.00 . A A . 4 VAL HG23 1 1 1 50 1 1 4 VAL N N 0.431 -13.900 5.844 1.00 . A A . 4 VAL N 1 1 1 51 1 1 4 VAL O O -0.651 -11.361 4.966 1.00 . A A . 4 VAL O 1 1 1 52 1 1 5 LYS C C -2.650 -9.107 6.868 1.00 . A A . 5 LYS C 1 1 1 53 1 1 5 LYS CA C -2.992 -10.431 6.210 1.00 . A A . 5 LYS CA 1 1 1 54 1 1 5 LYS CB C -4.456 -10.775 6.571 1.00 . A A . 5 LYS CB 1 1 1 55 1 1 5 LYS CD C -5.405 -11.641 4.347 1.00 . A A . 5 LYS CD 1 1 1 56 1 1 5 LYS CE C -6.241 -12.752 3.700 1.00 . A A . 5 LYS CE 1 1 1 57 1 1 5 LYS CG C -5.046 -11.965 5.804 1.00 . A A . 5 LYS CG 1 1 1 58 1 1 5 LYS H H -2.340 -11.892 7.540 1.00 . A A . 5 LYS H 1 1 1 59 1 1 5 LYS HA H -2.873 -10.294 5.149 1.00 . A A . 5 LYS HA 1 1 1 60 1 1 5 LYS HB2 H -4.496 -10.999 7.659 1.00 . A A . 5 LYS HB2 1 1 1 61 1 1 5 LYS HB3 H -5.119 -9.901 6.396 1.00 . A A . 5 LYS HB3 1 1 1 62 1 1 5 LYS HD2 H -5.996 -10.697 4.327 1.00 . A A . 5 LYS HD2 1 1 1 63 1 1 5 LYS HD3 H -4.476 -11.478 3.757 1.00 . A A . 5 LYS HD3 1 1 1 64 1 1 5 LYS HE2 H -5.668 -13.702 3.671 1.00 . A A . 5 LYS HE2 1 1 1 65 1 1 5 LYS HE3 H -7.182 -12.910 4.269 1.00 . A A . 5 LYS HE3 1 1 1 66 1 1 5 LYS HG2 H -4.344 -12.827 5.853 1.00 . A A . 5 LYS HG2 1 1 1 67 1 1 5 LYS HG3 H -5.982 -12.268 6.329 1.00 . A A . 5 LYS HG3 1 1 1 68 1 1 5 LYS HZ1 H -7.217 -13.153 1.922 1.00 . A A . 5 LYS HZ1 1 1 1 69 1 1 5 LYS HZ2 H -5.754 -12.312 1.731 1.00 . A A . 5 LYS HZ2 1 1 1 70 1 1 5 LYS HZ3 H -7.135 -11.503 2.307 1.00 . A A . 5 LYS HZ3 1 1 1 71 1 1 5 LYS N N -2.093 -11.467 6.670 1.00 . A A . 5 LYS N 1 1 1 72 1 1 5 LYS NZ N -6.612 -12.402 2.311 1.00 . A A . 5 LYS NZ 1 1 1 73 1 1 5 LYS O O -3.505 -8.251 7.091 1.00 . A A . 5 LYS O 1 1 1 74 1 1 6 SER C C -1.070 -6.492 6.783 1.00 . A A . 6 SER C 1 1 1 75 1 1 6 SER CA C -0.830 -7.644 7.729 1.00 . A A . 6 SER CA 1 1 1 76 1 1 6 SER CB C 0.687 -7.655 8.064 1.00 . A A . 6 SER CB 1 1 1 77 1 1 6 SER H H -0.756 -9.680 7.088 1.00 . A A . 6 SER H 1 1 1 78 1 1 6 SER HA H -1.373 -7.411 8.627 1.00 . A A . 6 SER HA 1 1 1 79 1 1 6 SER HB2 H 1.278 -7.947 7.168 1.00 . A A . 6 SER HB2 1 1 1 80 1 1 6 SER HB3 H 1.012 -6.640 8.390 1.00 . A A . 6 SER HB3 1 1 1 81 1 1 6 SER HG H 1.821 -8.332 9.515 1.00 . A A . 6 SER HG 1 1 1 82 1 1 6 SER N N -1.366 -8.903 7.206 1.00 . A A . 6 SER N 1 1 1 83 1 1 6 SER O O -1.503 -5.410 7.171 1.00 . A A . 6 SER O 1 1 1 84 1 1 6 SER OG O 0.956 -8.567 9.126 1.00 . A A . 6 SER OG 1 1 1 85 1 1 7 ALA C C -1.376 -6.645 3.171 1.00 . A A . 7 ALA C 1 1 1 86 1 1 7 ALA CA C -1.167 -5.833 4.437 1.00 . A A . 7 ALA CA 1 1 1 87 1 1 7 ALA CB C -0.036 -4.808 4.251 1.00 . A A . 7 ALA CB 1 1 1 88 1 1 7 ALA H H -0.439 -7.593 5.191 1.00 . A A . 7 ALA H 1 1 1 89 1 1 7 ALA HA H -2.106 -5.353 4.657 1.00 . A A . 7 ALA HA 1 1 1 90 1 1 7 ALA HB1 H 0.087 -4.200 5.173 1.00 . A A . 7 ALA HB1 1 1 1 91 1 1 7 ALA HB2 H -0.221 -4.127 3.397 1.00 . A A . 7 ALA HB2 1 1 1 92 1 1 7 ALA HB3 H 0.919 -5.348 4.083 1.00 . A A . 7 ALA HB3 1 1 1 93 1 1 7 ALA N N -0.821 -6.730 5.493 1.00 . A A . 7 ALA N 1 1 1 94 1 1 7 ALA O O -0.773 -7.696 2.972 1.00 . A A . 7 ALA O 1 1 1 95 1 1 8 CYS C C -2.177 -5.398 0.019 1.00 . A A . 8 CYS C 1 1 1 96 1 1 8 CYS CA C -2.351 -6.608 0.911 1.00 . A A . 8 CYS CA 1 1 1 97 1 1 8 CYS CB C -3.711 -7.234 0.537 1.00 . A A . 8 CYS CB 1 1 1 98 1 1 8 CYS H H -2.793 -5.355 2.512 1.00 . A A . 8 CYS H 1 1 1 99 1 1 8 CYS HA H -1.568 -7.315 0.672 1.00 . A A . 8 CYS HA 1 1 1 100 1 1 8 CYS HB2 H -4.521 -6.493 0.703 1.00 . A A . 8 CYS HB2 1 1 1 101 1 1 8 CYS HB3 H -3.692 -7.462 -0.550 1.00 . A A . 8 CYS HB3 1 1 1 102 1 1 8 CYS N N -2.253 -6.160 2.283 1.00 . A A . 8 CYS N 1 1 1 103 1 1 8 CYS O O -2.432 -4.265 0.420 1.00 . A A . 8 CYS O 1 1 1 104 1 1 8 CYS SG S -4.149 -8.761 1.423 1.00 . A A . 8 CYS SG 1 1 1 105 1 1 9 CYS C C -1.398 -4.999 -3.553 1.00 . A A . 9 CYS C 1 1 1 106 1 1 9 CYS CA C -1.418 -4.521 -2.110 1.00 . A A . 9 CYS CA 1 1 1 107 1 1 9 CYS CB C -0.026 -3.970 -1.709 1.00 . A A . 9 CYS CB 1 1 1 108 1 1 9 CYS H H -1.464 -6.538 -1.544 1.00 . A A . 9 CYS H 1 1 1 109 1 1 9 CYS HA H -2.174 -3.752 -2.012 1.00 . A A . 9 CYS HA 1 1 1 110 1 1 9 CYS HB2 H -0.115 -3.560 -0.678 1.00 . A A . 9 CYS HB2 1 1 1 111 1 1 9 CYS HB3 H 0.674 -4.835 -1.649 1.00 . A A . 9 CYS HB3 1 1 1 112 1 1 9 CYS N N -1.721 -5.617 -1.226 1.00 . A A . 9 CYS N 1 1 1 113 1 1 9 CYS O O -0.694 -5.933 -3.917 1.00 . A A . 9 CYS O 1 1 1 114 1 1 9 CYS SG S 0.690 -2.700 -2.790 1.00 . A A . 9 CYS SG 1 1 1 115 1 1 10 ASP C C -1.224 -3.962 -6.708 1.00 . A A . 10 ASP C 1 1 1 116 1 1 10 ASP CA C -2.199 -4.752 -5.852 1.00 . A A . 10 ASP CA 1 1 1 117 1 1 10 ASP CB C -3.614 -4.561 -6.442 1.00 . A A . 10 ASP CB 1 1 1 118 1 1 10 ASP CG C -4.468 -5.803 -6.250 1.00 . A A . 10 ASP CG 1 1 1 119 1 1 10 ASP H H -2.809 -3.640 -4.188 1.00 . A A . 10 ASP H 1 1 1 120 1 1 10 ASP HA H -1.904 -5.788 -5.958 1.00 . A A . 10 ASP HA 1 1 1 121 1 1 10 ASP HB2 H -4.088 -3.707 -5.946 1.00 . A A . 10 ASP HB2 1 1 1 122 1 1 10 ASP HB3 H -3.585 -4.293 -7.508 1.00 . A A . 10 ASP HB3 1 1 1 123 1 1 10 ASP HD2 H -4.058 -6.341 -8.099 1.00 . A A . 10 ASP HD2 1 1 1 124 1 1 10 ASP N N -2.177 -4.363 -4.454 1.00 . A A . 10 ASP N 1 1 1 125 1 1 10 ASP O O -1.068 -4.254 -7.887 1.00 . A A . 10 ASP O 1 1 1 126 1 1 10 ASP OD1 O -4.915 -6.186 -5.187 1.00 . A A . 10 ASP OD1 1 1 1 127 1 1 10 ASP OD2 O -4.741 -6.479 -7.417 1.00 . A A . 10 ASP OD2 1 1 1 128 1 1 11 THR C C 1.354 -1.437 -6.057 1.00 . A A . 11 THR C 1 1 1 129 1 1 11 THR CA C 0.350 -2.116 -6.950 1.00 . A A . 11 THR CA 1 1 1 130 1 1 11 THR CB C -0.296 -1.007 -7.789 1.00 . A A . 11 THR CB 1 1 1 131 1 1 11 THR CG2 C 0.655 -0.574 -8.906 1.00 . A A . 11 THR CG2 1 1 1 132 1 1 11 THR H H -0.668 -2.752 -5.192 1.00 . A A . 11 THR H 1 1 1 133 1 1 11 THR HA H 0.917 -2.761 -7.607 1.00 . A A . 11 THR HA 1 1 1 134 1 1 11 THR HB H -0.533 -0.120 -7.159 1.00 . A A . 11 THR HB 1 1 1 135 1 1 11 THR HG1 H -1.313 -2.134 -8.998 1.00 . A A . 11 THR HG1 1 1 1 136 1 1 11 THR HG21 H 0.191 0.233 -9.512 1.00 . A A . 11 THR HG21 1 1 1 137 1 1 11 THR HG22 H 0.888 -1.437 -9.564 1.00 . A A . 11 THR HG22 1 1 1 138 1 1 11 THR HG23 H 1.607 -0.188 -8.483 1.00 . A A . 11 THR HG23 1 1 1 139 1 1 11 THR N N -0.538 -2.956 -6.151 1.00 . A A . 11 THR N 1 1 1 140 1 1 11 THR O O 1.148 -0.368 -5.468 1.00 . A A . 11 THR O 1 1 1 141 1 1 11 THR OG1 O -1.522 -1.400 -8.389 1.00 . A A . 11 THR OG1 1 1 1 142 1 1 12 CYS C C 4.447 -0.736 -6.408 1.00 . A A . 12 CYS C 1 1 1 143 1 1 12 CYS CA C 3.729 -1.589 -5.388 1.00 . A A . 12 CYS CA 1 1 1 144 1 1 12 CYS CB C 4.659 -2.753 -4.962 1.00 . A A . 12 CYS CB 1 1 1 145 1 1 12 CYS H H 2.594 -2.996 -6.400 1.00 . A A . 12 CYS H 1 1 1 146 1 1 12 CYS HA H 3.512 -0.970 -4.536 1.00 . A A . 12 CYS HA 1 1 1 147 1 1 12 CYS HB2 H 4.879 -3.356 -5.874 1.00 . A A . 12 CYS HB2 1 1 1 148 1 1 12 CYS HB3 H 5.611 -2.356 -4.538 1.00 . A A . 12 CYS HB3 1 1 1 149 1 1 12 CYS N N 2.512 -2.094 -5.963 1.00 . A A . 12 CYS N 1 1 1 150 1 1 12 CYS O O 4.216 -0.827 -7.613 1.00 . A A . 12 CYS O 1 1 1 151 1 1 12 CYS SG S 3.870 -3.845 -3.740 1.00 . A A . 12 CYS SG 1 1 1 152 1 1 13 LEU C C 7.422 1.172 -5.984 1.00 . A A . 13 LEU C 1 1 1 153 1 1 13 LEU CA C 6.179 0.930 -6.785 1.00 . A A . 13 LEU CA 1 1 1 154 1 1 13 LEU CB C 5.459 2.254 -7.106 1.00 . A A . 13 LEU CB 1 1 1 155 1 1 13 LEU CD1 C 5.097 4.200 -8.651 1.00 . A A . 13 LEU CD1 1 1 1 156 1 1 13 LEU CD2 C 7.365 3.931 -7.647 1.00 . A A . 13 LEU CD2 1 1 1 157 1 1 13 LEU CG C 6.125 3.178 -8.153 1.00 . A A . 13 LEU CG 1 1 1 158 1 1 13 LEU H H 5.386 0.344 -4.967 1.00 . A A . 13 LEU H 1 1 1 159 1 1 13 LEU HA H 6.445 0.416 -7.696 1.00 . A A . 13 LEU HA 1 1 1 160 1 1 13 LEU HB2 H 4.478 1.953 -7.528 1.00 . A A . 13 LEU HB2 1 1 1 161 1 1 13 LEU HB3 H 5.255 2.800 -6.160 1.00 . A A . 13 LEU HB3 1 1 1 162 1 1 13 LEU HD11 H 4.807 4.881 -7.825 1.00 . A A . 13 LEU HD11 1 1 1 163 1 1 13 LEU HD12 H 4.189 3.681 -9.025 1.00 . A A . 13 LEU HD12 1 1 1 164 1 1 13 LEU HD13 H 5.523 4.809 -9.476 1.00 . A A . 13 LEU HD13 1 1 1 165 1 1 13 LEU HD21 H 7.132 4.462 -6.700 1.00 . A A . 13 LEU HD21 1 1 1 166 1 1 13 LEU HD22 H 7.697 4.673 -8.405 1.00 . A A . 13 LEU HD22 1 1 1 167 1 1 13 LEU HD23 H 8.209 3.235 -7.469 1.00 . A A . 13 LEU HD23 1 1 1 168 1 1 13 LEU HG H 6.427 2.552 -9.028 1.00 . A A . 13 LEU HG 1 1 1 169 1 1 13 LEU N N 5.378 0.092 -5.940 1.00 . A A . 13 LEU N 1 1 1 170 1 1 13 LEU O O 7.446 1.830 -4.937 1.00 . A A . 13 LEU O 1 1 1 171 1 1 14 CYS C C 10.572 1.690 -6.791 1.00 . A A . 14 CYS C 1 1 1 172 1 1 14 CYS CA C 9.825 0.681 -5.953 1.00 . A A . 14 CYS CA 1 1 1 173 1 1 14 CYS CB C 10.594 -0.643 -5.792 1.00 . A A . 14 CYS CB 1 1 1 174 1 1 14 CYS H H 8.401 -0.069 -7.255 1.00 . A A . 14 CYS H 1 1 1 175 1 1 14 CYS HA H 9.773 1.128 -4.982 1.00 . A A . 14 CYS HA 1 1 1 176 1 1 14 CYS HB2 H 10.687 -1.121 -6.788 1.00 . A A . 14 CYS HB2 1 1 1 177 1 1 14 CYS HB3 H 11.625 -0.415 -5.457 1.00 . A A . 14 CYS HB3 1 1 1 178 1 1 14 CYS N N 8.490 0.504 -6.440 1.00 . A A . 14 CYS N 1 1 1 179 1 1 14 CYS O O 10.499 1.722 -8.018 1.00 . A A . 14 CYS O 1 1 1 180 1 1 14 CYS SG S 9.841 -1.837 -4.617 1.00 . A A . 14 CYS SG 1 1 1 181 1 1 15 THR C C 13.226 3.421 -7.473 1.00 . A A . 15 THR C 1 1 1 182 1 1 15 THR CA C 11.932 3.724 -6.756 1.00 . A A . 15 THR CA 1 1 1 183 1 1 15 THR CB C 12.218 4.880 -5.807 1.00 . A A . 15 THR CB 1 1 1 184 1 1 15 THR CG2 C 10.883 5.480 -5.343 1.00 . A A . 15 THR CG2 1 1 1 185 1 1 15 THR H H 11.333 2.540 -5.117 1.00 . A A . 15 THR H 1 1 1 186 1 1 15 THR HA H 11.256 4.111 -7.503 1.00 . A A . 15 THR HA 1 1 1 187 1 1 15 THR HB H 12.808 5.674 -6.328 1.00 . A A . 15 THR HB 1 1 1 188 1 1 15 THR HG1 H 12.206 4.154 -4.060 1.00 . A A . 15 THR HG1 1 1 1 189 1 1 15 THR HG21 H 11.057 6.365 -4.695 1.00 . A A . 15 THR HG21 1 1 1 190 1 1 15 THR HG22 H 10.268 4.750 -4.779 1.00 . A A . 15 THR HG22 1 1 1 191 1 1 15 THR HG23 H 10.291 5.810 -6.224 1.00 . A A . 15 THR HG23 1 1 1 192 1 1 15 THR N N 11.293 2.585 -6.117 1.00 . A A . 15 THR N 1 1 1 193 1 1 15 THR O O 14.004 2.532 -7.127 1.00 . A A . 15 THR O 1 1 1 194 1 1 15 THR OG1 O 12.919 4.450 -4.647 1.00 . A A . 15 THR OG1 1 1 1 195 1 1 16 ARG C C 15.677 5.216 -8.406 1.00 . A A . 16 ARG C 1 1 1 196 1 1 16 ARG CA C 14.742 4.332 -9.206 1.00 . A A . 16 ARG CA 1 1 1 197 1 1 16 ARG CB C 14.518 4.938 -10.604 1.00 . A A . 16 ARG CB 1 1 1 198 1 1 16 ARG CD C 12.941 4.722 -12.602 1.00 . A A . 16 ARG CD 1 1 1 199 1 1 16 ARG CG C 13.778 3.985 -11.550 1.00 . A A . 16 ARG CG 1 1 1 200 1 1 16 ARG CZ C 11.527 2.825 -13.518 1.00 . A A . 16 ARG CZ 1 1 1 201 1 1 16 ARG H H 12.819 4.928 -8.764 1.00 . A A . 16 ARG H 1 1 1 202 1 1 16 ARG HA H 15.157 3.344 -9.304 1.00 . A A . 16 ARG HA 1 1 1 203 1 1 16 ARG HB2 H 13.934 5.878 -10.504 1.00 . A A . 16 ARG HB2 1 1 1 204 1 1 16 ARG HB3 H 15.491 5.181 -11.083 1.00 . A A . 16 ARG HB3 1 1 1 205 1 1 16 ARG HD2 H 12.043 5.198 -12.156 1.00 . A A . 16 ARG HD2 1 1 1 206 1 1 16 ARG HD3 H 13.557 5.499 -13.104 1.00 . A A . 16 ARG HD3 1 1 1 207 1 1 16 ARG HE H 13.050 3.737 -14.507 1.00 . A A . 16 ARG HE 1 1 1 208 1 1 16 ARG HG2 H 14.545 3.351 -12.046 1.00 . A A . 16 ARG HG2 1 1 1 209 1 1 16 ARG HG3 H 13.109 3.313 -10.970 1.00 . A A . 16 ARG HG3 1 1 1 210 1 1 16 ARG HH11 H 10.937 3.381 -11.635 1.00 . A A . 16 ARG HH11 1 1 1 211 1 1 16 ARG HH12 H 10.059 2.049 -12.314 1.00 . A A . 16 ARG HH12 1 1 1 212 1 1 16 ARG HH21 H 11.858 2.014 -15.373 1.00 . A A . 16 ARG HH21 1 1 1 213 1 1 16 ARG HH22 H 10.575 1.269 -14.471 1.00 . A A . 16 ARG HH22 1 1 1 214 1 1 16 ARG N N 13.493 4.239 -8.501 1.00 . A A . 16 ARG N 1 1 1 215 1 1 16 ARG NE N 12.524 3.748 -13.656 1.00 . A A . 16 ARG NE 1 1 1 216 1 1 16 ARG NH1 N 10.765 2.752 -12.391 1.00 . A A . 16 ARG NH1 1 1 1 217 1 1 16 ARG NH2 N 11.297 1.956 -14.546 1.00 . A A . 16 ARG NH2 1 1 1 218 1 1 16 ARG O O 15.515 6.437 -8.333 1.00 . A A . 16 ARG O 1 1 1 219 1 1 17 SER C C 18.490 4.352 -6.213 1.00 . A A . 17 SER C 1 1 1 220 1 1 17 SER CA C 17.412 5.282 -6.703 1.00 . A A . 17 SER CA 1 1 1 221 1 1 17 SER CB C 16.540 5.670 -5.473 1.00 . A A . 17 SER CB 1 1 1 222 1 1 17 SER H H 16.826 3.633 -7.852 1.00 . A A . 17 SER H 1 1 1 223 1 1 17 SER HA H 17.886 6.152 -7.124 1.00 . A A . 17 SER HA 1 1 1 224 1 1 17 SER HB2 H 15.571 6.077 -5.830 1.00 . A A . 17 SER HB2 1 1 1 225 1 1 17 SER HB3 H 16.310 4.770 -4.866 1.00 . A A . 17 SER HB3 1 1 1 226 1 1 17 SER HG H 16.536 6.774 -3.897 1.00 . A A . 17 SER HG 1 1 1 227 1 1 17 SER N N 16.662 4.612 -7.739 1.00 . A A . 17 SER N 1 1 1 228 1 1 17 SER O O 18.652 3.226 -6.672 1.00 . A A . 17 SER O 1 1 1 229 1 1 17 SER OG O 17.157 6.660 -4.652 1.00 . A A . 17 SER OG 1 1 1 230 1 1 18 GLN C C 20.567 4.713 -3.259 1.00 . A A . 18 GLN C 1 1 1 231 1 1 18 GLN CA C 20.369 4.124 -4.656 1.00 . A A . 18 GLN CA 1 1 1 232 1 1 18 GLN CB C 21.640 4.324 -5.512 1.00 . A A . 18 GLN CB 1 1 1 233 1 1 18 GLN CD C 23.152 2.937 -3.954 1.00 . A A . 18 GLN CD 1 1 1 234 1 1 18 GLN CG C 22.685 3.189 -5.383 1.00 . A A . 18 GLN CG 1 1 1 235 1 1 18 GLN H H 19.042 5.723 -4.895 1.00 . A A . 18 GLN H 1 1 1 236 1 1 18 GLN HA H 20.130 3.075 -4.604 1.00 . A A . 18 GLN HA 1 1 1 237 1 1 18 GLN HB2 H 21.305 4.341 -6.574 1.00 . A A . 18 GLN HB2 1 1 1 238 1 1 18 GLN HB3 H 22.088 5.323 -5.320 1.00 . A A . 18 GLN HB3 1 1 1 239 1 1 18 GLN HE21 H 24.085 4.750 -3.885 1.00 . A A . 18 GLN HE21 1 1 1 240 1 1 18 GLN HE22 H 24.147 3.803 -2.414 1.00 . A A . 18 GLN HE22 1 1 1 241 1 1 18 GLN HG2 H 22.244 2.239 -5.760 1.00 . A A . 18 GLN HG2 1 1 1 242 1 1 18 GLN HG3 H 23.569 3.425 -6.008 1.00 . A A . 18 GLN HG3 1 1 1 243 1 1 18 GLN N N 19.263 4.818 -5.242 1.00 . A A . 18 GLN N 1 1 1 244 1 1 18 GLN NE2 N 23.880 3.913 -3.374 1.00 . A A . 18 GLN NE2 1 1 1 245 1 1 18 GLN O O 20.966 5.879 -3.154 1.00 . A A . 18 GLN O 1 1 1 246 1 1 18 GLN OE1 O 22.870 1.896 -3.354 1.00 . A A . 18 GLN OE1 1 1 1 247 1 1 19 PRO C C 18.082 2.954 -2.499 1.00 . A A . 19 PRO C 1 1 1 248 1 1 19 PRO CA C 19.547 2.752 -2.110 1.00 . A A . 19 PRO CA 1 1 1 249 1 1 19 PRO CB C 19.696 2.355 -0.631 1.00 . A A . 19 PRO CB 1 1 1 250 1 1 19 PRO CD C 20.505 4.592 -0.840 1.00 . A A . 19 PRO CD 1 1 1 251 1 1 19 PRO CG C 19.720 3.691 0.111 1.00 . A A . 19 PRO CG 1 1 1 252 1 1 19 PRO HA H 19.983 2.028 -2.781 1.00 . A A . 19 PRO HA 1 1 1 253 1 1 19 PRO HB2 H 18.878 1.689 -0.272 1.00 . A A . 19 PRO HB2 1 1 1 254 1 1 19 PRO HB3 H 20.686 1.856 -0.496 1.00 . A A . 19 PRO HB3 1 1 1 255 1 1 19 PRO HD2 H 20.128 5.639 -0.791 1.00 . A A . 19 PRO HD2 1 1 1 256 1 1 19 PRO HD3 H 21.591 4.567 -0.597 1.00 . A A . 19 PRO HD3 1 1 1 257 1 1 19 PRO HG2 H 18.682 4.081 0.213 1.00 . A A . 19 PRO HG2 1 1 1 258 1 1 19 PRO HG3 H 20.187 3.617 1.113 1.00 . A A . 19 PRO HG3 1 1 1 259 1 1 19 PRO N N 20.299 4.008 -2.167 1.00 . A A . 19 PRO N 1 1 1 260 1 1 19 PRO O O 17.637 4.102 -2.527 1.00 . A A . 19 PRO O 1 1 1 261 1 1 20 PRO C C 15.027 2.394 -2.046 1.00 . A A . 20 PRO C 1 1 1 262 1 1 20 PRO CA C 15.920 2.113 -3.234 1.00 . A A . 20 PRO CA 1 1 1 263 1 1 20 PRO CB C 15.573 0.758 -3.865 1.00 . A A . 20 PRO CB 1 1 1 264 1 1 20 PRO CD C 17.719 0.528 -2.854 1.00 . A A . 20 PRO CD 1 1 1 265 1 1 20 PRO CG C 16.410 -0.232 -3.059 1.00 . A A . 20 PRO CG 1 1 1 266 1 1 20 PRO HA H 15.801 2.932 -3.926 1.00 . A A . 20 PRO HA 1 1 1 267 1 1 20 PRO HB2 H 14.491 0.515 -3.852 1.00 . A A . 20 PRO HB2 1 1 1 268 1 1 20 PRO HB3 H 15.930 0.750 -4.920 1.00 . A A . 20 PRO HB3 1 1 1 269 1 1 20 PRO HD2 H 18.194 0.238 -1.890 1.00 . A A . 20 PRO HD2 1 1 1 270 1 1 20 PRO HD3 H 18.408 0.343 -3.710 1.00 . A A . 20 PRO HD3 1 1 1 271 1 1 20 PRO HG2 H 15.927 -0.415 -2.074 1.00 . A A . 20 PRO HG2 1 1 1 272 1 1 20 PRO HG3 H 16.556 -1.196 -3.584 1.00 . A A . 20 PRO HG3 1 1 1 273 1 1 20 PRO N N 17.313 1.938 -2.854 1.00 . A A . 20 PRO N 1 1 1 274 1 1 20 PRO O O 15.446 2.364 -0.887 1.00 . A A . 20 PRO O 1 1 1 275 1 1 21 THR C C 11.442 2.665 -2.064 1.00 . A A . 21 THR C 1 1 1 276 1 1 21 THR CA C 12.734 3.061 -1.400 1.00 . A A . 21 THR CA 1 1 1 277 1 1 21 THR CB C 12.691 4.585 -1.235 1.00 . A A . 21 THR CB 1 1 1 278 1 1 21 THR CG2 C 11.632 4.989 -0.209 1.00 . A A . 21 THR CG2 1 1 1 279 1 1 21 THR H H 13.523 2.702 -3.316 1.00 . A A . 21 THR H 1 1 1 280 1 1 21 THR HA H 12.828 2.539 -0.458 1.00 . A A . 21 THR HA 1 1 1 281 1 1 21 THR HB H 12.452 5.072 -2.212 1.00 . A A . 21 THR HB 1 1 1 282 1 1 21 THR HG1 H 14.473 5.299 -1.543 1.00 . A A . 21 THR HG1 1 1 1 283 1 1 21 THR HG21 H 11.808 4.483 0.762 1.00 . A A . 21 THR HG21 1 1 1 284 1 1 21 THR HG22 H 10.611 4.764 -0.577 1.00 . A A . 21 THR HG22 1 1 1 285 1 1 21 THR HG23 H 11.669 6.084 -0.036 1.00 . A A . 21 THR HG23 1 1 1 286 1 1 21 THR N N 13.748 2.621 -2.344 1.00 . A A . 21 THR N 1 1 1 287 1 1 21 THR O O 11.314 2.780 -3.281 1.00 . A A . 21 THR O 1 1 1 288 1 1 21 THR OG1 O 13.926 5.107 -0.758 1.00 . A A . 21 THR OG1 1 1 1 289 1 1 22 CYS C C 8.070 1.772 -1.189 1.00 . A A . 22 CYS C 1 1 1 290 1 1 22 CYS CA C 9.316 1.525 -1.989 1.00 . A A . 22 CYS CA 1 1 1 291 1 1 22 CYS CB C 9.576 -0.003 -2.169 1.00 . A A . 22 CYS CB 1 1 1 292 1 1 22 CYS H H 10.519 1.992 -0.338 1.00 . A A . 22 CYS H 1 1 1 293 1 1 22 CYS HA H 9.121 1.998 -2.941 1.00 . A A . 22 CYS HA 1 1 1 294 1 1 22 CYS HB2 H 10.630 -0.111 -2.500 1.00 . A A . 22 CYS HB2 1 1 1 295 1 1 22 CYS HB3 H 9.492 -0.522 -1.190 1.00 . A A . 22 CYS HB3 1 1 1 296 1 1 22 CYS N N 10.450 2.141 -1.330 1.00 . A A . 22 CYS N 1 1 1 297 1 1 22 CYS O O 8.123 2.161 -0.023 1.00 . A A . 22 CYS O 1 1 1 298 1 1 22 CYS SG S 8.534 -0.833 -3.412 1.00 . A A . 22 CYS SG 1 1 1 299 1 1 23 ARG C C 4.553 1.486 -2.237 1.00 . A A . 23 ARG C 1 1 1 300 1 1 23 ARG CA C 5.636 2.041 -1.336 1.00 . A A . 23 ARG CA 1 1 1 301 1 1 23 ARG CB C 5.487 3.594 -1.444 1.00 . A A . 23 ARG CB 1 1 1 302 1 1 23 ARG CD C 5.811 5.933 -0.340 1.00 . A A . 23 ARG CD 1 1 1 303 1 1 23 ARG CG C 5.992 4.408 -0.238 1.00 . A A . 23 ARG CG 1 1 1 304 1 1 23 ARG CZ C 3.718 6.549 -1.663 1.00 . A A . 23 ARG CZ 1 1 1 305 1 1 23 ARG H H 6.946 1.292 -2.790 1.00 . A A . 23 ARG H 1 1 1 306 1 1 23 ARG HA H 5.449 1.686 -0.335 1.00 . A A . 23 ARG HA 1 1 1 307 1 1 23 ARG HB2 H 5.996 3.938 -2.370 1.00 . A A . 23 ARG HB2 1 1 1 308 1 1 23 ARG HB3 H 4.412 3.860 -1.549 1.00 . A A . 23 ARG HB3 1 1 1 309 1 1 23 ARG HD2 H 6.135 6.402 0.611 1.00 . A A . 23 ARG HD2 1 1 1 310 1 1 23 ARG HD3 H 6.412 6.357 -1.165 1.00 . A A . 23 ARG HD3 1 1 1 311 1 1 23 ARG HE H 3.783 6.132 0.322 1.00 . A A . 23 ARG HE 1 1 1 312 1 1 23 ARG HG2 H 5.472 4.045 0.675 1.00 . A A . 23 ARG HG2 1 1 1 313 1 1 23 ARG HG3 H 7.080 4.237 -0.106 1.00 . A A . 23 ARG HG3 1 1 1 314 1 1 23 ARG HH11 H 5.386 6.720 -2.867 1.00 . A A . 23 ARG HH11 1 1 1 315 1 1 23 ARG HH12 H 3.893 6.966 -3.672 1.00 . A A . 23 ARG HH12 1 1 1 316 1 1 23 ARG HH21 H 1.883 6.418 -0.778 1.00 . A A . 23 ARG HH21 1 1 1 317 1 1 23 ARG HH22 H 1.831 6.768 -2.478 1.00 . A A . 23 ARG HH22 1 1 1 318 1 1 23 ARG N N 6.910 1.555 -1.819 1.00 . A A . 23 ARG N 1 1 1 319 1 1 23 ARG NE N 4.357 6.255 -0.489 1.00 . A A . 23 ARG NE 1 1 1 320 1 1 23 ARG NH1 N 4.390 6.756 -2.831 1.00 . A A . 23 ARG NH1 1 1 1 321 1 1 23 ARG NH2 N 2.353 6.603 -1.640 1.00 . A A . 23 ARG NH2 1 1 1 322 1 1 23 ARG O O 4.756 1.193 -3.414 1.00 . A A . 23 ARG O 1 1 1 323 1 1 24 CYS C C 1.351 2.003 -2.862 1.00 . A A . 24 CYS C 1 1 1 324 1 1 24 CYS CA C 2.173 0.841 -2.364 1.00 . A A . 24 CYS CA 1 1 1 325 1 1 24 CYS CB C 1.284 -0.084 -1.499 1.00 . A A . 24 CYS CB 1 1 1 326 1 1 24 CYS H H 3.260 1.489 -0.685 1.00 . A A . 24 CYS H 1 1 1 327 1 1 24 CYS HA H 2.471 0.290 -3.242 1.00 . A A . 24 CYS HA 1 1 1 328 1 1 24 CYS HB2 H 1.219 0.296 -0.458 1.00 . A A . 24 CYS HB2 1 1 1 329 1 1 24 CYS HB3 H 0.245 -0.114 -1.897 1.00 . A A . 24 CYS HB3 1 1 1 330 1 1 24 CYS N N 3.356 1.299 -1.658 1.00 . A A . 24 CYS N 1 1 1 331 1 1 24 CYS O O 0.661 2.678 -2.103 1.00 . A A . 24 CYS O 1 1 1 332 1 1 24 CYS SG S 1.967 -1.760 -1.533 1.00 . A A . 24 CYS SG 1 1 1 333 1 1 25 VAL C C -0.905 2.905 -4.818 1.00 . A A . 25 VAL C 1 1 1 334 1 1 25 VAL CA C 0.575 3.236 -4.855 1.00 . A A . 25 VAL CA 1 1 1 335 1 1 25 VAL CB C 1.075 3.628 -6.236 1.00 . A A . 25 VAL CB 1 1 1 336 1 1 25 VAL CG1 C 2.469 4.254 -6.046 1.00 . A A . 25 VAL CG1 1 1 1 337 1 1 25 VAL CG2 C 1.121 2.446 -7.219 1.00 . A A . 25 VAL CG2 1 1 1 338 1 1 25 VAL H H 1.920 1.668 -4.799 1.00 . A A . 25 VAL H 1 1 1 339 1 1 25 VAL HA H 0.645 4.135 -4.265 1.00 . A A . 25 VAL HA 1 1 1 340 1 1 25 VAL HB H 0.401 4.408 -6.661 1.00 . A A . 25 VAL HB 1 1 1 341 1 1 25 VAL HG11 H 2.831 4.666 -7.010 1.00 . A A . 25 VAL HG11 1 1 1 342 1 1 25 VAL HG12 H 3.195 3.493 -5.684 1.00 . A A . 25 VAL HG12 1 1 1 343 1 1 25 VAL HG13 H 2.431 5.085 -5.305 1.00 . A A . 25 VAL HG13 1 1 1 344 1 1 25 VAL HG21 H 0.109 2.017 -7.376 1.00 . A A . 25 VAL HG21 1 1 1 345 1 1 25 VAL HG22 H 1.807 1.649 -6.866 1.00 . A A . 25 VAL HG22 1 1 1 346 1 1 25 VAL HG23 H 1.495 2.795 -8.207 1.00 . A A . 25 VAL HG23 1 1 1 347 1 1 25 VAL N N 1.428 2.279 -4.180 1.00 . A A . 25 VAL N 1 1 1 348 1 1 25 VAL O O -1.756 3.793 -4.854 1.00 . A A . 25 VAL O 1 1 1 349 1 1 26 ASP C C -3.248 1.355 -3.324 1.00 . A A . 26 ASP C 1 1 1 350 1 1 26 ASP CA C -2.603 1.096 -4.677 1.00 . A A . 26 ASP CA 1 1 1 351 1 1 26 ASP CB C -2.655 -0.411 -5.042 1.00 . A A . 26 ASP CB 1 1 1 352 1 1 26 ASP CG C -4.041 -0.983 -5.329 1.00 . A A . 26 ASP CG 1 1 1 353 1 1 26 ASP H H -0.484 0.948 -4.688 1.00 . A A . 26 ASP H 1 1 1 354 1 1 26 ASP HA H -3.167 1.646 -5.414 1.00 . A A . 26 ASP HA 1 1 1 355 1 1 26 ASP HB2 H -2.056 -0.569 -5.949 1.00 . A A . 26 ASP HB2 1 1 1 356 1 1 26 ASP HB3 H -2.211 -1.005 -4.216 1.00 . A A . 26 ASP HB3 1 1 1 357 1 1 26 ASP HD2 H -3.989 -0.103 -7.121 1.00 . A A . 26 ASP HD2 1 1 1 358 1 1 26 ASP N N -1.240 1.599 -4.733 1.00 . A A . 26 ASP N 1 1 1 359 1 1 26 ASP O O -2.974 0.676 -2.339 1.00 . A A . 26 ASP O 1 1 1 360 1 1 26 ASP OD1 O -4.637 -1.740 -4.587 1.00 . A A . 26 ASP OD1 1 1 1 361 1 1 26 ASP OD2 O -4.544 -0.699 -6.587 1.00 . A A . 26 ASP OD2 1 1 1 362 1 1 27 VAL C C -5.995 2.043 -1.697 1.00 . A A . 27 VAL C 1 1 1 363 1 1 27 VAL CA C -4.766 2.840 -2.069 1.00 . A A . 27 VAL CA 1 1 1 364 1 1 27 VAL CB C -5.137 4.315 -2.147 1.00 . A A . 27 VAL CB 1 1 1 365 1 1 27 VAL CG1 C -3.868 5.119 -2.434 1.00 . A A . 27 VAL CG1 1 1 1 366 1 1 27 VAL CG2 C -6.226 4.610 -3.190 1.00 . A A . 27 VAL CG2 1 1 1 367 1 1 27 VAL H H -4.314 2.882 -4.104 1.00 . A A . 27 VAL H 1 1 1 368 1 1 27 VAL HA H -4.077 2.733 -1.244 1.00 . A A . 27 VAL HA 1 1 1 369 1 1 27 VAL HB H -5.527 4.640 -1.160 1.00 . A A . 27 VAL HB 1 1 1 370 1 1 27 VAL HG11 H -3.097 4.888 -1.668 1.00 . A A . 27 VAL HG11 1 1 1 371 1 1 27 VAL HG12 H -4.096 6.205 -2.403 1.00 . A A . 27 VAL HG12 1 1 1 372 1 1 27 VAL HG13 H -3.459 4.875 -3.433 1.00 . A A . 27 VAL HG13 1 1 1 373 1 1 27 VAL HG21 H -7.168 4.078 -2.940 1.00 . A A . 27 VAL HG21 1 1 1 374 1 1 27 VAL HG22 H -5.904 4.323 -4.210 1.00 . A A . 27 VAL HG22 1 1 1 375 1 1 27 VAL HG23 H -6.444 5.699 -3.191 1.00 . A A . 27 VAL HG23 1 1 1 376 1 1 27 VAL N N -4.126 2.364 -3.278 1.00 . A A . 27 VAL N 1 1 1 377 1 1 27 VAL O O -6.695 1.471 -2.539 1.00 . A A . 27 VAL O 1 1 1 378 1 1 28 ARG C C -8.264 1.836 1.056 1.00 . A A . 28 ARG C 1 1 1 379 1 1 28 ARG CA C -7.297 1.127 0.153 1.00 . A A . 28 ARG CA 1 1 1 380 1 1 28 ARG CB C -6.666 -0.041 0.944 1.00 . A A . 28 ARG CB 1 1 1 381 1 1 28 ARG CD C -6.846 -1.695 -0.982 1.00 . A A . 28 ARG CD 1 1 1 382 1 1 28 ARG CG C -5.924 -1.045 0.052 1.00 . A A . 28 ARG CG 1 1 1 383 1 1 28 ARG CZ C -5.748 -3.781 -1.902 1.00 . A A . 28 ARG CZ 1 1 1 384 1 1 28 ARG H H -5.701 2.475 0.278 1.00 . A A . 28 ARG H 1 1 1 385 1 1 28 ARG HA H -7.906 0.754 -0.649 1.00 . A A . 28 ARG HA 1 1 1 386 1 1 28 ARG HB2 H -5.944 0.389 1.671 1.00 . A A . 28 ARG HB2 1 1 1 387 1 1 28 ARG HB3 H -7.434 -0.606 1.520 1.00 . A A . 28 ARG HB3 1 1 1 388 1 1 28 ARG HD2 H -7.611 -2.346 -0.512 1.00 . A A . 28 ARG HD2 1 1 1 389 1 1 28 ARG HD3 H -7.376 -0.920 -1.572 1.00 . A A . 28 ARG HD3 1 1 1 390 1 1 28 ARG HE H -5.684 -1.941 -2.767 1.00 . A A . 28 ARG HE 1 1 1 391 1 1 28 ARG HG2 H -5.096 -0.506 -0.461 1.00 . A A . 28 ARG HG2 1 1 1 392 1 1 28 ARG HG3 H -5.480 -1.835 0.699 1.00 . A A . 28 ARG HG3 1 1 1 393 1 1 28 ARG HH11 H -6.545 -4.156 -0.037 1.00 . A A . 28 ARG HH11 1 1 1 394 1 1 28 ARG HH12 H -5.919 -5.536 -0.867 1.00 . A A . 28 ARG HH12 1 1 1 395 1 1 28 ARG HH21 H -4.874 -3.786 -3.752 1.00 . A A . 28 ARG HH21 1 1 1 396 1 1 28 ARG HH22 H -4.995 -5.344 -3.002 1.00 . A A . 28 ARG HH22 1 1 1 397 1 1 28 ARG N N -6.270 1.985 -0.383 1.00 . A A . 28 ARG N 1 1 1 398 1 1 28 ARG NE N -6.010 -2.443 -1.964 1.00 . A A . 28 ARG NE 1 1 1 399 1 1 28 ARG NH1 N -6.103 -4.554 -0.841 1.00 . A A . 28 ARG NH1 1 1 1 400 1 1 28 ARG NH2 N -5.121 -4.353 -2.968 1.00 . A A . 28 ARG NH2 1 1 1 401 1 1 28 ARG O O -8.068 2.977 1.460 1.00 . A A . 28 ARG O 1 1 1 402 1 1 29 GLU C C -9.395 1.290 3.836 1.00 . A A . 29 GLU C 1 1 1 403 1 1 29 GLU CA C -10.194 1.300 2.533 1.00 . A A . 29 GLU CA 1 1 1 404 1 1 29 GLU CB C -11.283 0.203 2.491 1.00 . A A . 29 GLU CB 1 1 1 405 1 1 29 GLU CD C -13.158 -0.864 1.168 1.00 . A A . 29 GLU CD 1 1 1 406 1 1 29 GLU CG C -12.311 0.393 1.347 1.00 . A A . 29 GLU CG 1 1 1 407 1 1 29 GLU H H -9.481 0.223 0.970 1.00 . A A . 29 GLU H 1 1 1 408 1 1 29 GLU HA H -10.652 2.273 2.464 1.00 . A A . 29 GLU HA 1 1 1 409 1 1 29 GLU HB2 H -10.775 -0.770 2.309 1.00 . A A . 29 GLU HB2 1 1 1 410 1 1 29 GLU HB3 H -11.822 0.157 3.462 1.00 . A A . 29 GLU HB3 1 1 1 411 1 1 29 GLU HE2 H -14.771 -1.679 1.770 1.00 . A A . 29 GLU HE2 1 1 1 412 1 1 29 GLU HG2 H -12.962 1.263 1.564 1.00 . A A . 29 GLU HG2 1 1 1 413 1 1 29 GLU HG3 H -11.792 0.577 0.383 1.00 . A A . 29 GLU HG3 1 1 1 414 1 1 29 GLU N N -9.363 1.126 1.371 1.00 . A A . 29 GLU N 1 1 1 415 1 1 29 GLU O O -9.268 2.291 4.537 1.00 . A A . 29 GLU O 1 1 1 416 1 1 29 GLU OE1 O -12.869 -1.841 0.505 1.00 . A A . 29 GLU OE1 1 1 1 417 1 1 29 GLU OE2 O -14.310 -0.833 1.909 1.00 . A A . 29 GLU OE2 1 1 1 418 1 1 30 SER C C -6.522 0.371 5.095 1.00 . A A . 30 SER C 1 1 1 419 1 1 30 SER CA C -7.934 -0.090 5.301 1.00 . A A . 30 SER CA 1 1 1 420 1 1 30 SER CB C -7.854 -1.523 5.884 1.00 . A A . 30 SER CB 1 1 1 421 1 1 30 SER H H -8.901 -0.672 3.570 1.00 . A A . 30 SER H 1 1 1 422 1 1 30 SER HA H -8.317 0.542 6.087 1.00 . A A . 30 SER HA 1 1 1 423 1 1 30 SER HB2 H -7.459 -2.230 5.119 1.00 . A A . 30 SER HB2 1 1 1 424 1 1 30 SER HB3 H -7.146 -1.528 6.748 1.00 . A A . 30 SER HB3 1 1 1 425 1 1 30 SER HG H -8.966 -2.888 6.657 1.00 . A A . 30 SER HG 1 1 1 426 1 1 30 SER N N -8.854 0.109 4.194 1.00 . A A . 30 SER N 1 1 1 427 1 1 30 SER O O -5.828 -0.013 4.159 1.00 . A A . 30 SER O 1 1 1 428 1 1 30 SER OG O -9.129 -1.974 6.349 1.00 . A A . 30 SER OG 1 1 1 429 1 1 31 CYS C C -4.079 0.880 7.382 1.00 . A A . 31 CYS C 1 1 1 430 1 1 31 CYS CA C -4.641 1.536 6.145 1.00 . A A . 31 CYS CA 1 1 1 431 1 1 31 CYS CB C -4.435 3.061 6.163 1.00 . A A . 31 CYS CB 1 1 1 432 1 1 31 CYS H H -6.648 1.475 6.785 1.00 . A A . 31 CYS H 1 1 1 433 1 1 31 CYS HA H -4.106 1.145 5.290 1.00 . A A . 31 CYS HA 1 1 1 434 1 1 31 CYS HB2 H -5.037 3.463 5.317 1.00 . A A . 31 CYS HB2 1 1 1 435 1 1 31 CYS HB3 H -4.840 3.481 7.116 1.00 . A A . 31 CYS HB3 1 1 1 436 1 1 31 CYS N N -6.038 1.182 6.047 1.00 . A A . 31 CYS N 1 1 1 437 1 1 31 CYS O O -4.592 1.022 8.488 1.00 . A A . 31 CYS O 1 1 1 438 1 1 31 CYS SG S -2.697 3.538 5.889 1.00 . A A . 31 CYS SG 1 1 1 439 1 1 32 HIS C C -1.362 -0.050 8.947 1.00 . A A . 32 HIS C 1 1 1 440 1 1 32 HIS CA C -2.478 -0.776 8.239 1.00 . A A . 32 HIS CA 1 1 1 441 1 1 32 HIS CB C -1.916 -2.090 7.650 1.00 . A A . 32 HIS CB 1 1 1 442 1 1 32 HIS CD2 C -3.801 -3.844 7.274 1.00 . A A . 32 HIS CD2 1 1 1 443 1 1 32 HIS CE1 C -4.132 -3.420 5.156 1.00 . A A . 32 HIS CE1 1 1 1 444 1 1 32 HIS CG C -2.942 -2.871 6.895 1.00 . A A . 32 HIS CG 1 1 1 445 1 1 32 HIS H H -2.564 0.020 6.324 1.00 . A A . 32 HIS H 1 1 1 446 1 1 32 HIS HA H -3.253 -1.013 8.957 1.00 . A A . 32 HIS HA 1 1 1 447 1 1 32 HIS HB2 H -1.099 -1.869 6.932 1.00 . A A . 32 HIS HB2 1 1 1 448 1 1 32 HIS HB3 H -1.513 -2.745 8.445 1.00 . A A . 32 HIS HB3 1 1 1 449 1 1 32 HIS HD1 H -2.661 -1.976 5.008 1.00 . A A . 32 HIS HD1 1 1 1 450 1 1 32 HIS HD2 H -3.907 -4.330 8.234 1.00 . A A . 32 HIS HD2 1 1 1 451 1 1 32 HIS HE1 H -4.523 -3.405 4.164 1.00 . A A . 32 HIS HE1 1 1 1 452 1 1 32 HIS HE2 H -5.242 -4.886 6.124 1.00 . A A . 32 HIS HE2 1 1 1 453 1 1 32 HIS N N -3.026 0.066 7.201 1.00 . A A . 32 HIS N 1 1 1 454 1 1 32 HIS ND1 N -3.164 -2.628 5.571 1.00 . A A . 32 HIS ND1 1 1 1 455 1 1 32 HIS NE2 N -4.538 -4.175 6.168 1.00 . A A . 32 HIS NE2 1 1 1 456 1 1 32 HIS O O -0.780 0.898 8.431 1.00 . A A . 32 HIS O 1 1 1 457 1 1 33 SER C C 1.412 -0.310 10.612 1.00 . A A . 33 SER C 1 1 1 458 1 1 33 SER CA C 0.009 0.167 10.969 1.00 . A A . 33 SER CA 1 1 1 459 1 1 33 SER CB C -0.279 -0.044 12.478 1.00 . A A . 33 SER CB 1 1 1 460 1 1 33 SER H H -1.470 -1.285 10.560 1.00 . A A . 33 SER H 1 1 1 461 1 1 33 SER HA H -0.019 1.227 10.757 1.00 . A A . 33 SER HA 1 1 1 462 1 1 33 SER HB2 H -1.377 0.066 12.627 1.00 . A A . 33 SER HB2 1 1 1 463 1 1 33 SER HB3 H 0.004 -1.073 12.797 1.00 . A A . 33 SER HB3 1 1 1 464 1 1 33 SER HG H -0.104 0.905 14.157 1.00 . A A . 33 SER HG 1 1 1 465 1 1 33 SER N N -1.012 -0.492 10.162 1.00 . A A . 33 SER N 1 1 1 466 1 1 33 SER O O 2.415 0.083 11.210 1.00 . A A . 33 SER O 1 1 1 467 1 1 33 SER OG O 0.361 0.932 13.302 1.00 . A A . 33 SER OG 1 1 1 468 1 1 34 ALA C C 3.567 -0.429 8.389 1.00 . A A . 34 ALA C 1 1 1 469 1 1 34 ALA CA C 2.768 -1.590 8.970 1.00 . A A . 34 ALA CA 1 1 1 470 1 1 34 ALA CB C 2.501 -2.698 7.928 1.00 . A A . 34 ALA CB 1 1 1 471 1 1 34 ALA H H 0.709 -1.515 9.145 1.00 . A A . 34 ALA H 1 1 1 472 1 1 34 ALA HA H 3.363 -2.005 9.763 1.00 . A A . 34 ALA HA 1 1 1 473 1 1 34 ALA HB1 H 3.455 -3.104 7.525 1.00 . A A . 34 ALA HB1 1 1 1 474 1 1 34 ALA HB2 H 1.889 -2.335 7.077 1.00 . A A . 34 ALA HB2 1 1 1 475 1 1 34 ALA HB3 H 1.954 -3.538 8.408 1.00 . A A . 34 ALA HB3 1 1 1 476 1 1 34 ALA N N 1.530 -1.151 9.565 1.00 . A A . 34 ALA N 1 1 1 477 1 1 34 ALA O O 4.772 -0.306 8.608 1.00 . A A . 34 ALA O 1 1 1 478 1 1 35 CYS C C 3.107 2.800 8.475 1.00 . A A . 35 CYS C 1 1 1 479 1 1 35 CYS CA C 3.436 1.799 7.370 1.00 . A A . 35 CYS CA 1 1 1 480 1 1 35 CYS CB C 2.932 2.246 5.981 1.00 . A A . 35 CYS CB 1 1 1 481 1 1 35 CYS H H 1.932 0.366 7.476 1.00 . A A . 35 CYS H 1 1 1 482 1 1 35 CYS HA H 4.511 1.723 7.306 1.00 . A A . 35 CYS HA 1 1 1 483 1 1 35 CYS HB2 H 3.557 3.087 5.608 1.00 . A A . 35 CYS HB2 1 1 1 484 1 1 35 CYS HB3 H 3.104 1.364 5.321 1.00 . A A . 35 CYS HB3 1 1 1 485 1 1 35 CYS N N 2.892 0.502 7.697 1.00 . A A . 35 CYS N 1 1 1 486 1 1 35 CYS O O 2.044 2.760 9.090 1.00 . A A . 35 CYS O 1 1 1 487 1 1 35 CYS SG S 1.166 2.678 5.857 1.00 . A A . 35 CYS SG 1 1 1 488 1 1 36 ASP C C 2.856 5.662 9.864 1.00 . A A . 36 ASP C 1 1 1 489 1 1 36 ASP CA C 3.869 4.534 10.013 1.00 . A A . 36 ASP CA 1 1 1 490 1 1 36 ASP CB C 5.233 5.105 10.498 1.00 . A A . 36 ASP CB 1 1 1 491 1 1 36 ASP CG C 5.142 5.645 11.920 1.00 . A A . 36 ASP CG 1 1 1 492 1 1 36 ASP H H 4.903 3.788 8.323 1.00 . A A . 36 ASP H 1 1 1 493 1 1 36 ASP HA H 3.480 3.887 10.792 1.00 . A A . 36 ASP HA 1 1 1 494 1 1 36 ASP HB2 H 5.992 4.295 10.519 1.00 . A A . 36 ASP HB2 1 1 1 495 1 1 36 ASP HB3 H 5.591 5.901 9.817 1.00 . A A . 36 ASP HB3 1 1 1 496 1 1 36 ASP HD2 H 5.846 6.995 13.050 1.00 . A A . 36 ASP HD2 1 1 1 497 1 1 36 ASP N N 4.031 3.728 8.809 1.00 . A A . 36 ASP N 1 1 1 498 1 1 36 ASP O O 2.163 6.003 10.818 1.00 . A A . 36 ASP O 1 1 1 499 1 1 36 ASP OD1 O 4.465 5.191 12.817 1.00 . A A . 36 ASP OD1 1 1 1 500 1 1 36 ASP OD2 O 5.938 6.742 12.122 1.00 . A A . 36 ASP OD2 1 1 1 501 1 1 37 LYS C C 0.794 7.037 7.422 1.00 . A A . 37 LYS C 1 1 1 502 1 1 37 LYS CA C 1.877 7.394 8.421 1.00 . A A . 37 LYS CA 1 1 1 503 1 1 37 LYS CB C 2.644 8.652 7.955 1.00 . A A . 37 LYS CB 1 1 1 504 1 1 37 LYS CD C 1.661 10.407 9.526 1.00 . A A . 37 LYS CD 1 1 1 505 1 1 37 LYS CE C 0.628 11.522 9.707 1.00 . A A . 37 LYS CE 1 1 1 506 1 1 37 LYS CG C 1.810 9.935 8.072 1.00 . A A . 37 LYS CG 1 1 1 507 1 1 37 LYS H H 3.300 5.976 7.909 1.00 . A A . 37 LYS H 1 1 1 508 1 1 37 LYS HA H 1.364 7.643 9.334 1.00 . A A . 37 LYS HA 1 1 1 509 1 1 37 LYS HB2 H 3.560 8.770 8.568 1.00 . A A . 37 LYS HB2 1 1 1 510 1 1 37 LYS HB3 H 2.986 8.524 6.912 1.00 . A A . 37 LYS HB3 1 1 1 511 1 1 37 LYS HD2 H 1.356 9.557 10.176 1.00 . A A . 37 LYS HD2 1 1 1 512 1 1 37 LYS HD3 H 2.653 10.757 9.891 1.00 . A A . 37 LYS HD3 1 1 1 513 1 1 37 LYS HE2 H 0.898 12.413 9.106 1.00 . A A . 37 LYS HE2 1 1 1 514 1 1 37 LYS HE3 H -0.385 11.171 9.417 1.00 . A A . 37 LYS HE3 1 1 1 515 1 1 37 LYS HG2 H 2.289 10.744 7.478 1.00 . A A . 37 LYS HG2 1 1 1 516 1 1 37 LYS HG3 H 0.807 9.750 7.636 1.00 . A A . 37 LYS HG3 1 1 1 517 1 1 37 LYS HZ1 H -0.125 12.693 11.249 1.00 . A A . 37 LYS HZ1 1 1 1 518 1 1 37 LYS HZ2 H 1.509 12.272 11.426 1.00 . A A . 37 LYS HZ2 1 1 1 519 1 1 37 LYS HZ3 H 0.305 11.117 11.713 1.00 . A A . 37 LYS HZ3 1 1 1 520 1 1 37 LYS N N 2.761 6.282 8.674 1.00 . A A . 37 LYS N 1 1 1 521 1 1 37 LYS NZ N 0.573 11.932 11.126 1.00 . A A . 37 LYS NZ 1 1 1 522 1 1 37 LYS O O 1.000 7.053 6.207 1.00 . A A . 37 LYS O 1 1 1 523 1 1 38 CYS C C -2.369 7.853 7.110 1.00 . A A . 38 CYS C 1 1 1 524 1 1 38 CYS CA C -1.633 6.543 7.236 1.00 . A A . 38 CYS CA 1 1 1 525 1 1 38 CYS CB C -2.520 5.573 8.038 1.00 . A A . 38 CYS CB 1 1 1 526 1 1 38 CYS H H -0.501 6.592 8.942 1.00 . A A . 38 CYS H 1 1 1 527 1 1 38 CYS HA H -1.452 6.177 6.234 1.00 . A A . 38 CYS HA 1 1 1 528 1 1 38 CYS HB2 H -2.403 5.840 9.114 1.00 . A A . 38 CYS HB2 1 1 1 529 1 1 38 CYS HB3 H -3.591 5.679 7.763 1.00 . A A . 38 CYS HB3 1 1 1 530 1 1 38 CYS N N -0.391 6.698 7.947 1.00 . A A . 38 CYS N 1 1 1 531 1 1 38 CYS O O -2.773 8.449 8.106 1.00 . A A . 38 CYS O 1 1 1 532 1 1 38 CYS SG S -2.018 3.857 7.766 1.00 . A A . 38 CYS SG 1 1 1 533 1 1 39 VAL C C -4.578 8.962 4.797 1.00 . A A . 39 VAL C 1 1 1 534 1 1 39 VAL CA C -3.411 9.482 5.608 1.00 . A A . 39 VAL CA 1 1 1 535 1 1 39 VAL CB C -2.581 10.445 4.794 1.00 . A A . 39 VAL CB 1 1 1 536 1 1 39 VAL CG1 C -3.363 11.684 4.365 1.00 . A A . 39 VAL CG1 1 1 1 537 1 1 39 VAL CG2 C -1.378 10.893 5.636 1.00 . A A . 39 VAL CG2 1 1 1 538 1 1 39 VAL H H -2.228 7.921 5.041 1.00 . A A . 39 VAL H 1 1 1 539 1 1 39 VAL HA H -3.777 9.961 6.504 1.00 . A A . 39 VAL HA 1 1 1 540 1 1 39 VAL HB H -2.210 9.906 3.895 1.00 . A A . 39 VAL HB 1 1 1 541 1 1 39 VAL HG11 H -3.822 12.170 5.251 1.00 . A A . 39 VAL HG11 1 1 1 542 1 1 39 VAL HG12 H -4.143 11.425 3.622 1.00 . A A . 39 VAL HG12 1 1 1 543 1 1 39 VAL HG13 H -2.659 12.400 3.892 1.00 . A A . 39 VAL HG13 1 1 1 544 1 1 39 VAL HG21 H -1.731 11.300 6.608 1.00 . A A . 39 VAL HG21 1 1 1 545 1 1 39 VAL HG22 H -0.834 11.697 5.095 1.00 . A A . 39 VAL HG22 1 1 1 546 1 1 39 VAL HG23 H -0.686 10.045 5.811 1.00 . A A . 39 VAL HG23 1 1 1 547 1 1 39 VAL N N -2.587 8.334 5.881 1.00 . A A . 39 VAL N 1 1 1 548 1 1 39 VAL O O -4.439 7.946 4.119 1.00 . A A . 39 VAL O 1 1 1 549 1 1 40 CYS C C -7.742 10.348 3.626 1.00 . A A . 40 CYS C 1 1 1 550 1 1 40 CYS CA C -6.906 9.186 4.101 1.00 . A A . 40 CYS CA 1 1 1 551 1 1 40 CYS CB C -7.873 8.398 5.007 1.00 . A A . 40 CYS CB 1 1 1 552 1 1 40 CYS H H -5.908 10.409 5.430 1.00 . A A . 40 CYS H 1 1 1 553 1 1 40 CYS HA H -6.632 8.618 3.238 1.00 . A A . 40 CYS HA 1 1 1 554 1 1 40 CYS HB2 H -8.124 9.051 5.858 1.00 . A A . 40 CYS HB2 1 1 1 555 1 1 40 CYS HB3 H -8.814 8.225 4.455 1.00 . A A . 40 CYS HB3 1 1 1 556 1 1 40 CYS N N -5.742 9.637 4.816 1.00 . A A . 40 CYS N 1 1 1 557 1 1 40 CYS O O -8.114 11.246 4.380 1.00 . A A . 40 CYS O 1 1 1 558 1 1 40 CYS SG S -7.273 6.807 5.642 1.00 . A A . 40 CYS SG 1 1 1 559 1 1 41 ALA C C -10.506 10.543 2.293 1.00 . A A . 41 ALA C 1 1 1 560 1 1 41 ALA CA C -9.181 11.082 1.794 1.00 . A A . 41 ALA CA 1 1 1 561 1 1 41 ALA CB C -9.147 11.143 0.267 1.00 . A A . 41 ALA CB 1 1 1 562 1 1 41 ALA H H -7.825 9.516 1.812 1.00 . A A . 41 ALA H 1 1 1 563 1 1 41 ALA HA H -9.112 12.099 2.152 1.00 . A A . 41 ALA HA 1 1 1 564 1 1 41 ALA HB1 H -9.238 10.126 -0.168 1.00 . A A . 41 ALA HB1 1 1 1 565 1 1 41 ALA HB2 H -8.188 11.598 -0.058 1.00 . A A . 41 ALA HB2 1 1 1 566 1 1 41 ALA HB3 H -9.982 11.780 -0.097 1.00 . A A . 41 ALA HB3 1 1 1 567 1 1 41 ALA N N -8.071 10.338 2.328 1.00 . A A . 41 ALA N 1 1 1 568 1 1 41 ALA O O -10.775 9.341 2.243 1.00 . A A . 41 ALA O 1 1 1 569 1 1 42 TYR C C -13.789 10.827 2.450 1.00 . A A . 42 TYR C 1 1 1 570 1 1 42 TYR CA C -12.642 11.130 3.401 1.00 . A A . 42 TYR CA 1 1 1 571 1 1 42 TYR CB C -12.988 12.267 4.384 1.00 . A A . 42 TYR CB 1 1 1 572 1 1 42 TYR CD1 C -14.052 14.084 2.973 1.00 . A A . 42 TYR CD1 1 1 1 573 1 1 42 TYR CD2 C -11.825 14.463 3.840 1.00 . A A . 42 TYR CD2 1 1 1 574 1 1 42 TYR CE1 C -14.012 15.320 2.320 1.00 . A A . 42 TYR CE1 1 1 1 575 1 1 42 TYR CE2 C -11.798 15.713 3.208 1.00 . A A . 42 TYR CE2 1 1 1 576 1 1 42 TYR CG C -12.957 13.632 3.732 1.00 . A A . 42 TYR CG 1 1 1 577 1 1 42 TYR CZ C -12.882 16.129 2.435 1.00 . A A . 42 TYR CZ 1 1 1 578 1 1 42 TYR H H -11.133 12.403 2.759 1.00 . A A . 42 TYR H 1 1 1 579 1 1 42 TYR HA H -12.489 10.233 3.972 1.00 . A A . 42 TYR HA 1 1 1 580 1 1 42 TYR HB2 H -13.981 12.103 4.855 1.00 . A A . 42 TYR HB2 1 1 1 581 1 1 42 TYR HB3 H -12.213 12.228 5.178 1.00 . A A . 42 TYR HB3 1 1 1 582 1 1 42 TYR HD1 H -14.935 13.471 2.869 1.00 . A A . 42 TYR HD1 1 1 1 583 1 1 42 TYR HD2 H -10.948 14.139 4.383 1.00 . A A . 42 TYR HD2 1 1 1 584 1 1 42 TYR HE1 H -14.854 15.636 1.722 1.00 . A A . 42 TYR HE1 1 1 1 585 1 1 42 TYR HE2 H -10.918 16.335 3.280 1.00 . A A . 42 TYR HE2 1 1 1 586 1 1 42 TYR HH H -13.452 17.307 1.002 1.00 . A A . 42 TYR HH 1 1 1 587 1 1 42 TYR N N -11.389 11.443 2.741 1.00 . A A . 42 TYR N 1 1 1 588 1 1 42 TYR O O -14.969 11.016 2.741 1.00 . A A . 42 TYR O 1 1 1 589 1 1 42 TYR OH O -12.800 17.342 1.732 1.00 . A A . 42 TYR OH 1 1 1 590 1 1 43 SER C C -15.177 8.768 0.477 1.00 . A A . 43 SER C 1 1 1 591 1 1 43 SER CA C -14.194 9.870 0.156 1.00 . A A . 43 SER CA 1 1 1 592 1 1 43 SER CB C -13.280 9.361 -0.997 1.00 . A A . 43 SER CB 1 1 1 593 1 1 43 SER H H -12.425 10.182 1.185 1.00 . A A . 43 SER H 1 1 1 594 1 1 43 SER HA H -14.759 10.716 -0.193 1.00 . A A . 43 SER HA 1 1 1 595 1 1 43 SER HB2 H -12.939 8.319 -0.779 1.00 . A A . 43 SER HB2 1 1 1 596 1 1 43 SER HB3 H -13.849 9.386 -1.957 1.00 . A A . 43 SER HB3 1 1 1 597 1 1 43 SER HG H -11.778 10.058 -2.017 1.00 . A A . 43 SER HG 1 1 1 598 1 1 43 SER N N -13.407 10.300 1.288 1.00 . A A . 43 SER N 1 1 1 599 1 1 43 SER O O -15.383 8.372 1.622 1.00 . A A . 43 SER O 1 1 1 600 1 1 43 SER OG O -12.116 10.179 -1.120 1.00 . A A . 43 SER OG 1 1 1 601 1 1 44 ASN C C -16.704 6.135 -1.545 1.00 . A A . 44 ASN C 1 1 1 602 1 1 44 ASN CA C -16.743 7.117 -0.365 1.00 . A A . 44 ASN CA 1 1 1 603 1 1 44 ASN CB C -18.135 7.755 -0.206 1.00 . A A . 44 ASN CB 1 1 1 604 1 1 44 ASN CG C -19.164 6.741 0.257 1.00 . A A . 44 ASN CG 1 1 1 605 1 1 44 ASN H H -15.727 8.572 -1.457 1.00 . A A . 44 ASN H 1 1 1 606 1 1 44 ASN HA H -16.503 6.597 0.540 1.00 . A A . 44 ASN HA 1 1 1 607 1 1 44 ASN HB2 H -18.056 8.572 0.536 1.00 . A A . 44 ASN HB2 1 1 1 608 1 1 44 ASN HB3 H -18.453 8.219 -1.156 1.00 . A A . 44 ASN HB3 1 1 1 609 1 1 44 ASN HD21 H -18.331 6.574 2.141 1.00 . A A . 44 ASN HD21 1 1 1 610 1 1 44 ASN HD22 H -19.719 5.618 1.869 1.00 . A A . 44 ASN HD22 1 1 1 611 1 1 44 ASN N N -15.786 8.172 -0.554 1.00 . A A . 44 ASN N 1 1 1 612 1 1 44 ASN ND2 N -19.047 6.257 1.511 1.00 . A A . 44 ASN ND2 1 1 1 613 1 1 44 ASN O O -17.197 6.447 -2.635 1.00 . A A . 44 ASN O 1 1 1 614 1 1 44 ASN OD1 O -20.053 6.352 -0.507 1.00 . A A . 44 ASN OD1 1 1 1 615 1 1 45 PRO C C -14.130 5.272 0.029 1.00 . A A . 45 PRO C 1 1 1 616 1 1 45 PRO CA C -15.423 4.490 -0.168 1.00 . A A . 45 PRO CA 1 1 1 617 1 1 45 PRO CB C -15.180 3.001 -0.447 1.00 . A A . 45 PRO CB 1 1 1 618 1 1 45 PRO CD C -16.026 3.976 -2.467 1.00 . A A . 45 PRO CD 1 1 1 619 1 1 45 PRO CG C -15.037 2.919 -1.968 1.00 . A A . 45 PRO CG 1 1 1 620 1 1 45 PRO HA H -16.050 4.652 0.694 1.00 . A A . 45 PRO HA 1 1 1 621 1 1 45 PRO HB2 H -14.324 2.593 0.110 1.00 . A A . 45 PRO HB2 1 1 1 622 1 1 45 PRO HB3 H -16.070 2.432 -0.120 1.00 . A A . 45 PRO HB3 1 1 1 623 1 1 45 PRO HD2 H -15.645 4.464 -3.390 1.00 . A A . 45 PRO HD2 1 1 1 624 1 1 45 PRO HD3 H -17.027 3.530 -2.657 1.00 . A A . 45 PRO HD3 1 1 1 625 1 1 45 PRO HG2 H -14.007 3.221 -2.253 1.00 . A A . 45 PRO HG2 1 1 1 626 1 1 45 PRO HG3 H -15.241 1.911 -2.376 1.00 . A A . 45 PRO HG3 1 1 1 627 1 1 45 PRO N N -16.131 4.940 -1.370 1.00 . A A . 45 PRO N 1 1 1 628 1 1 45 PRO O O -13.633 5.820 -0.958 1.00 . A A . 45 PRO O 1 1 1 629 1 1 46 PRO C C -11.219 5.764 0.860 1.00 . A A . 46 PRO C 1 1 1 630 1 1 46 PRO CA C -12.472 6.317 1.476 1.00 . A A . 46 PRO CA 1 1 1 631 1 1 46 PRO CB C -12.386 6.404 2.999 1.00 . A A . 46 PRO CB 1 1 1 632 1 1 46 PRO CD C -14.027 4.740 2.450 1.00 . A A . 46 PRO CD 1 1 1 633 1 1 46 PRO CG C -12.939 5.066 3.475 1.00 . A A . 46 PRO CG 1 1 1 634 1 1 46 PRO HA H -12.651 7.282 1.033 1.00 . A A . 46 PRO HA 1 1 1 635 1 1 46 PRO HB2 H -11.361 6.608 3.371 1.00 . A A . 46 PRO HB2 1 1 1 636 1 1 46 PRO HB3 H -13.066 7.212 3.350 1.00 . A A . 46 PRO HB3 1 1 1 637 1 1 46 PRO HD2 H -14.078 3.631 2.286 1.00 . A A . 46 PRO HD2 1 1 1 638 1 1 46 PRO HD3 H -14.997 5.187 2.789 1.00 . A A . 46 PRO HD3 1 1 1 639 1 1 46 PRO HG2 H -12.139 4.294 3.440 1.00 . A A . 46 PRO HG2 1 1 1 640 1 1 46 PRO HG3 H -13.348 5.160 4.500 1.00 . A A . 46 PRO HG3 1 1 1 641 1 1 46 PRO N N -13.597 5.431 1.235 1.00 . A A . 46 PRO N 1 1 1 642 1 1 46 PRO O O -11.161 4.590 0.496 1.00 . A A . 46 PRO O 1 1 1 643 1 1 47 GLN C C -7.928 6.557 0.995 1.00 . A A . 47 GLN C 1 1 1 644 1 1 47 GLN CA C -8.996 6.206 0.025 1.00 . A A . 47 GLN CA 1 1 1 645 1 1 47 GLN CB C -8.774 6.974 -1.295 1.00 . A A . 47 GLN CB 1 1 1 646 1 1 47 GLN CD C -9.923 5.470 -3.004 1.00 . A A . 47 GLN CD 1 1 1 647 1 1 47 GLN CG C -9.921 6.834 -2.317 1.00 . A A . 47 GLN CG 1 1 1 648 1 1 47 GLN H H -10.209 7.538 1.063 1.00 . A A . 47 GLN H 1 1 1 649 1 1 47 GLN HA H -8.944 5.140 -0.125 1.00 . A A . 47 GLN HA 1 1 1 650 1 1 47 GLN HB2 H -8.677 8.056 -1.063 1.00 . A A . 47 GLN HB2 1 1 1 651 1 1 47 GLN HB3 H -7.829 6.630 -1.760 1.00 . A A . 47 GLN HB3 1 1 1 652 1 1 47 GLN HE21 H -10.977 4.658 -1.473 1.00 . A A . 47 GLN HE21 1 1 1 653 1 1 47 GLN HE22 H -10.630 3.588 -2.812 1.00 . A A . 47 GLN HE22 1 1 1 654 1 1 47 GLN HG2 H -10.897 7.006 -1.822 1.00 . A A . 47 GLN HG2 1 1 1 655 1 1 47 GLN HG3 H -9.793 7.606 -3.102 1.00 . A A . 47 GLN HG3 1 1 1 656 1 1 47 GLN N N -10.210 6.614 0.671 1.00 . A A . 47 GLN N 1 1 1 657 1 1 47 GLN NE2 N -10.589 4.481 -2.380 1.00 . A A . 47 GLN NE2 1 1 1 658 1 1 47 GLN O O -8.035 7.570 1.678 1.00 . A A . 47 GLN O 1 1 1 659 1 1 47 GLN OE1 O -9.329 5.293 -4.072 1.00 . A A . 47 GLN OE1 1 1 1 660 1 1 48 CYS C C -4.647 5.290 1.745 1.00 . A A . 48 CYS C 1 1 1 661 1 1 48 CYS CA C -5.963 5.858 2.171 1.00 . A A . 48 CYS CA 1 1 1 662 1 1 48 CYS CB C -6.384 5.000 3.388 1.00 . A A . 48 CYS CB 1 1 1 663 1 1 48 CYS H H -6.820 4.920 0.543 1.00 . A A . 48 CYS H 1 1 1 664 1 1 48 CYS HA H -5.804 6.887 2.440 1.00 . A A . 48 CYS HA 1 1 1 665 1 1 48 CYS HB2 H -6.504 3.949 3.044 1.00 . A A . 48 CYS HB2 1 1 1 666 1 1 48 CYS HB3 H -5.559 5.043 4.130 1.00 . A A . 48 CYS HB3 1 1 1 667 1 1 48 CYS N N -6.857 5.771 1.054 1.00 . A A . 48 CYS N 1 1 1 668 1 1 48 CYS O O -4.542 4.232 1.113 1.00 . A A . 48 CYS O 1 1 1 669 1 1 48 CYS SG S -7.908 5.482 4.247 1.00 . A A . 48 CYS SG 1 1 1 670 1 1 49 GLN C C -1.343 5.766 2.699 1.00 . A A . 49 GLN C 1 1 1 671 1 1 49 GLN CA C -2.293 6.021 1.570 1.00 . A A . 49 GLN CA 1 1 1 672 1 1 49 GLN CB C -1.858 7.389 0.991 1.00 . A A . 49 GLN CB 1 1 1 673 1 1 49 GLN CD C -3.679 8.570 -0.400 1.00 . A A . 49 GLN CD 1 1 1 674 1 1 49 GLN CG C -2.400 7.730 -0.405 1.00 . A A . 49 GLN CG 1 1 1 675 1 1 49 GLN H H -3.785 6.901 2.631 1.00 . A A . 49 GLN H 1 1 1 676 1 1 49 GLN HA H -2.198 5.228 0.849 1.00 . A A . 49 GLN HA 1 1 1 677 1 1 49 GLN HB2 H -2.153 8.190 1.704 1.00 . A A . 49 GLN HB2 1 1 1 678 1 1 49 GLN HB3 H -0.750 7.415 0.863 1.00 . A A . 49 GLN HB3 1 1 1 679 1 1 49 GLN HE21 H -2.967 9.541 -2.014 1.00 . A A . 49 GLN HE21 1 1 1 680 1 1 49 GLN HE22 H -4.421 10.218 -1.288 1.00 . A A . 49 GLN HE22 1 1 1 681 1 1 49 GLN HG2 H -1.603 8.331 -0.896 1.00 . A A . 49 GLN HG2 1 1 1 682 1 1 49 GLN HG3 H -2.555 6.807 -0.987 1.00 . A A . 49 GLN HG3 1 1 1 683 1 1 49 GLN N N -3.621 6.091 2.063 1.00 . A A . 49 GLN N 1 1 1 684 1 1 49 GLN NE2 N -3.736 9.504 -1.372 1.00 . A A . 49 GLN NE2 1 1 1 685 1 1 49 GLN O O -1.406 6.373 3.768 1.00 . A A . 49 GLN O 1 1 1 686 1 1 49 GLN OE1 O -4.593 8.434 0.410 1.00 . A A . 49 GLN OE1 1 1 1 687 1 1 50 CYS C C 1.780 6.001 2.686 1.00 . A A . 50 CYS C 1 1 1 688 1 1 50 CYS CA C 0.877 4.898 3.180 1.00 . A A . 50 CYS CA 1 1 1 689 1 1 50 CYS CB C 1.618 3.550 3.030 1.00 . A A . 50 CYS CB 1 1 1 690 1 1 50 CYS H H -0.383 4.405 1.566 1.00 . A A . 50 CYS H 1 1 1 691 1 1 50 CYS HA H 0.669 5.109 4.224 1.00 . A A . 50 CYS HA 1 1 1 692 1 1 50 CYS HB2 H 1.709 3.287 1.956 1.00 . A A . 50 CYS HB2 1 1 1 693 1 1 50 CYS HB3 H 2.659 3.631 3.412 1.00 . A A . 50 CYS HB3 1 1 1 694 1 1 50 CYS N N -0.348 4.922 2.416 1.00 . A A . 50 CYS N 1 1 1 695 1 1 50 CYS O O 2.572 5.822 1.769 1.00 . A A . 50 CYS O 1 1 1 696 1 1 50 CYS SG S 0.766 2.221 3.923 1.00 . A A . 50 CYS SG 1 1 1 697 1 1 51 TYR C C 4.027 7.863 3.422 1.00 . A A . 51 TYR C 1 1 1 698 1 1 51 TYR CA C 2.600 8.306 3.140 1.00 . A A . 51 TYR CA 1 1 1 699 1 1 51 TYR CB C 2.219 9.516 4.042 1.00 . A A . 51 TYR CB 1 1 1 700 1 1 51 TYR CD1 C 0.194 10.129 2.632 1.00 . A A . 51 TYR CD1 1 1 1 701 1 1 51 TYR CD2 C 1.746 11.879 3.222 1.00 . A A . 51 TYR CD2 1 1 1 702 1 1 51 TYR CE1 C -0.584 11.053 1.926 1.00 . A A . 51 TYR CE1 1 1 1 703 1 1 51 TYR CE2 C 0.957 12.804 2.537 1.00 . A A . 51 TYR CE2 1 1 1 704 1 1 51 TYR CG C 1.378 10.521 3.286 1.00 . A A . 51 TYR CG 1 1 1 705 1 1 51 TYR CZ C -0.216 12.398 1.898 1.00 . A A . 51 TYR CZ 1 1 1 706 1 1 51 TYR H H 0.985 7.282 4.018 1.00 . A A . 51 TYR H 1 1 1 707 1 1 51 TYR HA H 2.601 8.602 2.101 1.00 . A A . 51 TYR HA 1 1 1 708 1 1 51 TYR HB2 H 1.642 9.178 4.925 1.00 . A A . 51 TYR HB2 1 1 1 709 1 1 51 TYR HB3 H 3.129 10.027 4.419 1.00 . A A . 51 TYR HB3 1 1 1 710 1 1 51 TYR HD1 H -0.172 9.120 2.685 1.00 . A A . 51 TYR HD1 1 1 1 711 1 1 51 TYR HD2 H 2.626 12.274 3.700 1.00 . A A . 51 TYR HD2 1 1 1 712 1 1 51 TYR HE1 H -1.491 10.715 1.452 1.00 . A A . 51 TYR HE1 1 1 1 713 1 1 51 TYR HE2 H 1.279 13.831 2.540 1.00 . A A . 51 TYR HE2 1 1 1 714 1 1 51 TYR HH H -0.828 14.213 1.674 1.00 . A A . 51 TYR HH 1 1 1 715 1 1 51 TYR N N 1.655 7.204 3.279 1.00 . A A . 51 TYR N 1 1 1 716 1 1 51 TYR O O 4.976 8.150 2.700 1.00 . A A . 51 TYR O 1 1 1 717 1 1 51 TYR OH O -1.058 13.348 1.291 1.00 . A A . 51 TYR OH 1 1 1 718 1 1 52 ASP C C 5.972 5.475 4.130 1.00 . A A . 52 ASP C 1 1 1 719 1 1 52 ASP CA C 5.449 6.617 4.990 1.00 . A A . 52 ASP CA 1 1 1 720 1 1 52 ASP CB C 5.337 6.196 6.474 1.00 . A A . 52 ASP CB 1 1 1 721 1 1 52 ASP CG C 6.695 5.883 7.076 1.00 . A A . 52 ASP CG 1 1 1 722 1 1 52 ASP H H 3.334 6.827 4.971 1.00 . A A . 52 ASP H 1 1 1 723 1 1 52 ASP HA H 6.166 7.427 4.904 1.00 . A A . 52 ASP HA 1 1 1 724 1 1 52 ASP HB2 H 4.923 7.043 7.061 1.00 . A A . 52 ASP HB2 1 1 1 725 1 1 52 ASP HB3 H 4.664 5.318 6.553 1.00 . A A . 52 ASP HB3 1 1 1 726 1 1 52 ASP HD2 H 7.583 4.556 8.117 1.00 . A A . 52 ASP HD2 1 1 1 727 1 1 52 ASP N N 4.174 7.108 4.519 1.00 . A A . 52 ASP N 1 1 1 728 1 1 52 ASP O O 5.231 4.630 3.637 1.00 . A A . 52 ASP O 1 1 1 729 1 1 52 ASP OD1 O 7.676 6.594 7.025 1.00 . A A . 52 ASP OD1 1 1 1 730 1 1 52 ASP OD2 O 6.703 4.677 7.710 1.00 . A A . 52 ASP OD2 1 1 1 731 1 1 53 THR C C 8.189 3.162 3.696 1.00 . A A . 53 THR C 1 1 1 732 1 1 53 THR CA C 8.017 4.538 3.099 1.00 . A A . 53 THR CA 1 1 1 733 1 1 53 THR CB C 9.378 5.100 2.709 1.00 . A A . 53 THR CB 1 1 1 734 1 1 53 THR CG2 C 9.149 6.221 1.684 1.00 . A A . 53 THR CG2 1 1 1 735 1 1 53 THR H H 7.887 6.129 4.396 1.00 . A A . 53 THR H 1 1 1 736 1 1 53 THR HA H 7.440 4.399 2.203 1.00 . A A . 53 THR HA 1 1 1 737 1 1 53 THR HB H 10.039 4.328 2.252 1.00 . A A . 53 THR HB 1 1 1 738 1 1 53 THR HG1 H 10.685 5.063 4.166 1.00 . A A . 53 THR HG1 1 1 1 739 1 1 53 THR HG21 H 8.728 5.810 0.743 1.00 . A A . 53 THR HG21 1 1 1 740 1 1 53 THR HG22 H 10.110 6.721 1.439 1.00 . A A . 53 THR HG22 1 1 1 741 1 1 53 THR HG23 H 8.453 6.993 2.070 1.00 . A A . 53 THR HG23 1 1 1 742 1 1 53 THR N N 7.297 5.461 3.949 1.00 . A A . 53 THR N 1 1 1 743 1 1 53 THR O O 8.048 2.947 4.897 1.00 . A A . 53 THR O 1 1 1 744 1 1 53 THR OG1 O 10.025 5.700 3.826 1.00 . A A . 53 THR OG1 1 1 1 745 1 1 54 HIS C C 9.748 0.216 2.346 1.00 . A A . 54 HIS C 1 1 1 746 1 1 54 HIS CA C 8.679 0.803 3.245 1.00 . A A . 54 HIS CA 1 1 1 747 1 1 54 HIS CB C 7.361 -0.020 3.111 1.00 . A A . 54 HIS CB 1 1 1 748 1 1 54 HIS CD2 C 6.336 -0.801 5.381 1.00 . A A . 54 HIS CD2 1 1 1 749 1 1 54 HIS CE1 C 6.929 -2.896 5.217 1.00 . A A . 54 HIS CE1 1 1 1 750 1 1 54 HIS CG C 7.049 -0.954 4.239 1.00 . A A . 54 HIS CG 1 1 1 751 1 1 54 HIS H H 8.610 2.311 1.854 1.00 . A A . 54 HIS H 1 1 1 752 1 1 54 HIS HA H 9.061 0.788 4.251 1.00 . A A . 54 HIS HA 1 1 1 753 1 1 54 HIS HB2 H 6.498 0.677 3.056 1.00 . A A . 54 HIS HB2 1 1 1 754 1 1 54 HIS HB3 H 7.364 -0.644 2.192 1.00 . A A . 54 HIS HB3 1 1 1 755 1 1 54 HIS HD1 H 7.868 -2.693 3.385 1.00 . A A . 54 HIS HD1 1 1 1 756 1 1 54 HIS HD2 H 5.829 0.072 5.771 1.00 . A A . 54 HIS HD2 1 1 1 757 1 1 54 HIS HE1 H 7.073 -3.936 5.406 1.00 . A A . 54 HIS HE1 1 1 1 758 1 1 54 HIS HE2 H 5.794 -2.249 6.830 1.00 . A A . 54 HIS HE2 1 1 1 759 1 1 54 HIS N N 8.488 2.170 2.839 1.00 . A A . 54 HIS N 1 1 1 760 1 1 54 HIS ND1 N 7.404 -2.267 4.159 1.00 . A A . 54 HIS ND1 1 1 1 761 1 1 54 HIS NE2 N 6.276 -2.030 5.981 1.00 . A A . 54 HIS NE2 1 1 1 762 1 1 54 HIS O O 10.211 0.844 1.394 1.00 . A A . 54 HIS O 1 1 1 763 1 1 55 LYS C C 10.532 -3.161 1.531 1.00 . A A . 55 LYS C 1 1 1 764 1 1 55 LYS CA C 11.078 -1.770 1.798 1.00 . A A . 55 LYS CA 1 1 1 765 1 1 55 LYS CB C 12.463 -1.839 2.476 1.00 . A A . 55 LYS CB 1 1 1 766 1 1 55 LYS CD C 13.910 -2.552 4.439 1.00 . A A . 55 LYS CD 1 1 1 767 1 1 55 LYS CE C 13.978 -3.186 5.833 1.00 . A A . 55 LYS CE 1 1 1 768 1 1 55 LYS CG C 12.479 -2.420 3.898 1.00 . A A . 55 LYS CG 1 1 1 769 1 1 55 LYS H H 9.897 -1.442 3.486 1.00 . A A . 55 LYS H 1 1 1 770 1 1 55 LYS HA H 11.179 -1.295 0.836 1.00 . A A . 55 LYS HA 1 1 1 771 1 1 55 LYS HB2 H 13.149 -2.426 1.835 1.00 . A A . 55 LYS HB2 1 1 1 772 1 1 55 LYS HB3 H 12.858 -0.803 2.537 1.00 . A A . 55 LYS HB3 1 1 1 773 1 1 55 LYS HD2 H 14.494 -3.194 3.743 1.00 . A A . 55 LYS HD2 1 1 1 774 1 1 55 LYS HD3 H 14.400 -1.553 4.461 1.00 . A A . 55 LYS HD3 1 1 1 775 1 1 55 LYS HE2 H 13.470 -4.173 5.832 1.00 . A A . 55 LYS HE2 1 1 1 776 1 1 55 LYS HE3 H 15.036 -3.322 6.142 1.00 . A A . 55 LYS HE3 1 1 1 777 1 1 55 LYS HG2 H 11.899 -1.759 4.576 1.00 . A A . 55 LYS HG2 1 1 1 778 1 1 55 LYS HG3 H 12.002 -3.427 3.900 1.00 . A A . 55 LYS HG3 1 1 1 779 1 1 55 LYS HZ1 H 13.369 -2.763 7.776 1.00 . A A . 55 LYS HZ1 1 1 1 780 1 1 55 LYS HZ2 H 12.312 -2.196 6.573 1.00 . A A . 55 LYS HZ2 1 1 1 781 1 1 55 LYS HZ3 H 13.777 -1.394 6.854 1.00 . A A . 55 LYS HZ3 1 1 1 782 1 1 55 LYS N N 10.162 -1.021 2.628 1.00 . A A . 55 LYS N 1 1 1 783 1 1 55 LYS NZ N 13.311 -2.324 6.835 1.00 . A A . 55 LYS NZ 1 1 1 784 1 1 55 LYS O O 11.220 -4.176 1.630 1.00 . A A . 55 LYS O 1 1 1 785 1 1 56 PHE C C 7.453 -4.323 0.019 1.00 . A A . 56 PHE C 1 1 1 786 1 1 56 PHE CA C 8.590 -4.520 0.992 1.00 . A A . 56 PHE CA 1 1 1 787 1 1 56 PHE CB C 8.063 -5.087 2.344 1.00 . A A . 56 PHE CB 1 1 1 788 1 1 56 PHE CD1 C 9.447 -7.169 2.591 1.00 . A A . 56 PHE CD1 1 1 1 789 1 1 56 PHE CD2 C 7.050 -7.410 2.344 1.00 . A A . 56 PHE CD2 1 1 1 790 1 1 56 PHE CE1 C 9.578 -8.559 2.700 1.00 . A A . 56 PHE CE1 1 1 1 791 1 1 56 PHE CE2 C 7.178 -8.800 2.451 1.00 . A A . 56 PHE CE2 1 1 1 792 1 1 56 PHE CG C 8.183 -6.582 2.411 1.00 . A A . 56 PHE CG 1 1 1 793 1 1 56 PHE CZ C 8.442 -9.376 2.628 1.00 . A A . 56 PHE CZ 1 1 1 794 1 1 56 PHE H H 8.706 -2.438 0.942 1.00 . A A . 56 PHE H 1 1 1 795 1 1 56 PHE HA H 9.287 -5.203 0.529 1.00 . A A . 56 PHE HA 1 1 1 796 1 1 56 PHE HB2 H 8.691 -4.696 3.174 1.00 . A A . 56 PHE HB2 1 1 1 797 1 1 56 PHE HB3 H 7.011 -4.789 2.538 1.00 . A A . 56 PHE HB3 1 1 1 798 1 1 56 PHE HD1 H 10.329 -6.547 2.673 1.00 . A A . 56 PHE HD1 1 1 1 799 1 1 56 PHE HD2 H 6.065 -6.985 2.222 1.00 . A A . 56 PHE HD2 1 1 1 800 1 1 56 PHE HE1 H 10.557 -8.990 2.852 1.00 . A A . 56 PHE HE1 1 1 1 801 1 1 56 PHE HE2 H 6.293 -9.418 2.408 1.00 . A A . 56 PHE HE2 1 1 1 802 1 1 56 PHE HZ H 8.538 -10.449 2.722 1.00 . A A . 56 PHE HZ 1 1 1 803 1 1 56 PHE N N 9.242 -3.245 1.175 1.00 . A A . 56 PHE N 1 1 1 804 1 1 56 PHE O O 7.051 -3.197 -0.268 1.00 . A A . 56 PHE O 1 1 1 805 1 1 57 CYS C C 4.899 -6.586 -0.875 1.00 . A A . 57 CYS C 1 1 1 806 1 1 57 CYS CA C 5.750 -5.439 -1.352 1.00 . A A . 57 CYS CA 1 1 1 807 1 1 57 CYS CB C 6.150 -5.639 -2.834 1.00 . A A . 57 CYS CB 1 1 1 808 1 1 57 CYS H H 7.280 -6.328 -0.293 1.00 . A A . 57 CYS H 1 1 1 809 1 1 57 CYS HA H 5.178 -4.531 -1.224 1.00 . A A . 57 CYS HA 1 1 1 810 1 1 57 CYS HB2 H 6.851 -4.821 -3.101 1.00 . A A . 57 CYS HB2 1 1 1 811 1 1 57 CYS HB3 H 6.718 -6.591 -2.917 1.00 . A A . 57 CYS HB3 1 1 1 812 1 1 57 CYS N N 6.918 -5.428 -0.512 1.00 . A A . 57 CYS N 1 1 1 813 1 1 57 CYS O O 5.392 -7.693 -0.673 1.00 . A A . 57 CYS O 1 1 1 814 1 1 57 CYS SG S 4.758 -5.645 -4.011 1.00 . A A . 57 CYS SG 1 1 1 815 1 1 58 TYR C C 1.907 -7.847 -1.518 1.00 . A A . 58 TYR C 1 1 1 816 1 1 58 TYR CA C 2.677 -7.403 -0.297 1.00 . A A . 58 TYR CA 1 1 1 817 1 1 58 TYR CB C 1.678 -6.972 0.789 1.00 . A A . 58 TYR CB 1 1 1 818 1 1 58 TYR CD1 C 3.023 -5.784 2.587 1.00 . A A . 58 TYR CD1 1 1 1 819 1 1 58 TYR CD2 C 2.372 -8.084 2.952 1.00 . A A . 58 TYR CD2 1 1 1 820 1 1 58 TYR CE1 C 3.640 -5.762 3.843 1.00 . A A . 58 TYR CE1 1 1 1 821 1 1 58 TYR CE2 C 2.989 -8.061 4.210 1.00 . A A . 58 TYR CE2 1 1 1 822 1 1 58 TYR CG C 2.366 -6.941 2.130 1.00 . A A . 58 TYR CG 1 1 1 823 1 1 58 TYR CZ C 3.621 -6.896 4.660 1.00 . A A . 58 TYR CZ 1 1 1 824 1 1 58 TYR H H 3.221 -5.443 -0.811 1.00 . A A . 58 TYR H 1 1 1 825 1 1 58 TYR HA H 3.201 -8.277 0.073 1.00 . A A . 58 TYR HA 1 1 1 826 1 1 58 TYR HB2 H 1.256 -5.975 0.558 1.00 . A A . 58 TYR HB2 1 1 1 827 1 1 58 TYR HB3 H 0.841 -7.702 0.834 1.00 . A A . 58 TYR HB3 1 1 1 828 1 1 58 TYR HD1 H 3.043 -4.879 2.002 1.00 . A A . 58 TYR HD1 1 1 1 829 1 1 58 TYR HD2 H 1.888 -8.995 2.639 1.00 . A A . 58 TYR HD2 1 1 1 830 1 1 58 TYR HE1 H 4.105 -4.846 4.170 1.00 . A A . 58 TYR HE1 1 1 1 831 1 1 58 TYR HE2 H 2.953 -8.951 4.817 1.00 . A A . 58 TYR HE2 1 1 1 832 1 1 58 TYR HH H 4.292 -7.767 6.259 1.00 . A A . 58 TYR HH 1 1 1 833 1 1 58 TYR N N 3.601 -6.348 -0.656 1.00 . A A . 58 TYR N 1 1 1 834 1 1 58 TYR O O 1.653 -7.083 -2.446 1.00 . A A . 58 TYR O 1 1 1 835 1 1 58 TYR OH O 4.233 -6.852 5.930 1.00 . A A . 58 TYR OH 1 1 1 836 1 1 59 LYS C C -0.631 -9.157 -2.733 1.00 . A A . 59 LYS C 1 1 1 837 1 1 59 LYS CA C 0.713 -9.822 -2.471 1.00 . A A . 59 LYS CA 1 1 1 838 1 1 59 LYS CB C 0.516 -11.311 -2.095 1.00 . A A . 59 LYS CB 1 1 1 839 1 1 59 LYS CD C 1.891 -12.326 -0.192 1.00 . A A . 59 LYS CD 1 1 1 840 1 1 59 LYS CE C 3.308 -12.221 0.380 1.00 . A A . 59 LYS CE 1 1 1 841 1 1 59 LYS CG C 1.813 -12.049 -1.706 1.00 . A A . 59 LYS CG 1 1 1 842 1 1 59 LYS H H 1.800 -9.677 -0.733 1.00 . A A . 59 LYS H 1 1 1 843 1 1 59 LYS HA H 1.240 -9.790 -3.412 1.00 . A A . 59 LYS HA 1 1 1 844 1 1 59 LYS HB2 H -0.187 -11.370 -1.237 1.00 . A A . 59 LYS HB2 1 1 1 845 1 1 59 LYS HB3 H 0.044 -11.832 -2.957 1.00 . A A . 59 LYS HB3 1 1 1 846 1 1 59 LYS HD2 H 1.221 -11.626 0.353 1.00 . A A . 59 LYS HD2 1 1 1 847 1 1 59 LYS HD3 H 1.500 -13.350 0.004 1.00 . A A . 59 LYS HD3 1 1 1 848 1 1 59 LYS HE2 H 3.932 -13.075 0.044 1.00 . A A . 59 LYS HE2 1 1 1 849 1 1 59 LYS HE3 H 3.785 -11.271 0.066 1.00 . A A . 59 LYS HE3 1 1 1 850 1 1 59 LYS HG2 H 1.867 -13.025 -2.240 1.00 . A A . 59 LYS HG2 1 1 1 851 1 1 59 LYS HG3 H 2.700 -11.468 -2.043 1.00 . A A . 59 LYS HG3 1 1 1 852 1 1 59 LYS HZ1 H 4.248 -12.094 2.225 1.00 . A A . 59 LYS HZ1 1 1 1 853 1 1 59 LYS HZ2 H 2.904 -13.129 2.201 1.00 . A A . 59 LYS HZ2 1 1 1 854 1 1 59 LYS HZ3 H 2.677 -11.448 2.196 1.00 . A A . 59 LYS HZ3 1 1 1 855 1 1 59 LYS N N 1.567 -9.142 -1.528 1.00 . A A . 59 LYS N 1 1 1 856 1 1 59 LYS NZ N 3.283 -12.221 1.858 1.00 . A A . 59 LYS NZ 1 1 1 857 1 1 59 LYS O O -1.149 -8.368 -1.938 1.00 . A A . 59 LYS O 1 1 1 858 1 1 60 ALA C C -3.699 -9.657 -3.548 1.00 . A A . 60 ALA C 1 1 1 859 1 1 60 ALA CA C -2.535 -8.959 -4.225 1.00 . A A . 60 ALA CA 1 1 1 860 1 1 60 ALA CB C -2.702 -9.041 -5.742 1.00 . A A . 60 ALA CB 1 1 1 861 1 1 60 ALA H H -0.853 -10.133 -4.523 1.00 . A A . 60 ALA H 1 1 1 862 1 1 60 ALA HA H -2.572 -7.921 -3.932 1.00 . A A . 60 ALA HA 1 1 1 863 1 1 60 ALA HB1 H -2.662 -10.105 -6.058 1.00 . A A . 60 ALA HB1 1 1 1 864 1 1 60 ALA HB2 H -1.868 -8.498 -6.237 1.00 . A A . 60 ALA HB2 1 1 1 865 1 1 60 ALA HB3 H -3.665 -8.593 -6.060 1.00 . A A . 60 ALA HB3 1 1 1 866 1 1 60 ALA N N -1.255 -9.494 -3.868 1.00 . A A . 60 ALA N 1 1 1 867 1 1 60 ALA O O -3.822 -10.879 -3.531 1.00 . A A . 60 ALA O 1 1 1 868 1 1 61 CYS C C -6.832 -8.268 -3.108 1.00 . A A . 61 CYS C 1 1 1 869 1 1 61 CYS CA C -5.888 -9.265 -2.483 1.00 . A A . 61 CYS CA 1 1 1 870 1 1 61 CYS CB C -5.987 -9.177 -0.941 1.00 . A A . 61 CYS CB 1 1 1 871 1 1 61 CYS H H -4.485 -7.871 -3.034 1.00 . A A . 61 CYS H 1 1 1 872 1 1 61 CYS HA H -6.123 -10.254 -2.836 1.00 . A A . 61 CYS HA 1 1 1 873 1 1 61 CYS HB2 H -5.970 -8.103 -0.659 1.00 . A A . 61 CYS HB2 1 1 1 874 1 1 61 CYS HB3 H -6.957 -9.599 -0.607 1.00 . A A . 61 CYS HB3 1 1 1 875 1 1 61 CYS N N -4.610 -8.851 -2.996 1.00 . A A . 61 CYS N 1 1 1 876 1 1 61 CYS O O -6.770 -7.074 -2.825 1.00 . A A . 61 CYS O 1 1 1 877 1 1 61 CYS SG S -4.604 -10.021 -0.104 1.00 . A A . 61 CYS SG 1 1 1 878 1 1 62 HIS C C -9.417 -6.961 -4.376 1.00 . A A . 62 HIS C 1 1 1 879 1 1 62 HIS CA C -8.319 -7.809 -4.988 1.00 . A A . 62 HIS CA 1 1 1 880 1 1 62 HIS CB C -8.892 -8.592 -6.180 1.00 . A A . 62 HIS CB 1 1 1 881 1 1 62 HIS CD2 C -7.836 -10.831 -6.975 1.00 . A A . 62 HIS CD2 1 1 1 882 1 1 62 HIS CE1 C -5.999 -10.005 -7.813 1.00 . A A . 62 HIS CE1 1 1 1 883 1 1 62 HIS CG C -7.870 -9.487 -6.819 1.00 . A A . 62 HIS CG 1 1 1 884 1 1 62 HIS H H -7.842 -9.688 -4.144 1.00 . A A . 62 HIS H 1 1 1 885 1 1 62 HIS HA H -7.559 -7.147 -5.380 1.00 . A A . 62 HIS HA 1 1 1 886 1 1 62 HIS HB2 H -9.736 -9.226 -5.843 1.00 . A A . 62 HIS HB2 1 1 1 887 1 1 62 HIS HB3 H -9.271 -7.888 -6.946 1.00 . A A . 62 HIS HB3 1 1 1 888 1 1 62 HIS HD1 H -6.440 -8.031 -7.384 1.00 . A A . 62 HIS HD1 1 1 1 889 1 1 62 HIS HD2 H -8.547 -11.584 -6.654 1.00 . A A . 62 HIS HD2 1 1 1 890 1 1 62 HIS HE1 H -5.061 -9.906 -8.314 1.00 . A A . 62 HIS HE1 1 1 1 891 1 1 62 HIS HE2 H -6.337 -12.057 -7.813 1.00 . A A . 62 HIS HE2 1 1 1 892 1 1 62 HIS N N -7.687 -8.702 -4.037 1.00 . A A . 62 HIS N 1 1 1 893 1 1 62 HIS ND1 N -6.710 -8.994 -7.346 1.00 . A A . 62 HIS ND1 1 1 1 894 1 1 62 HIS NE2 N -6.658 -11.132 -7.601 1.00 . A A . 62 HIS NE2 1 1 1 895 1 1 62 HIS O O -10.466 -7.466 -3.994 1.00 . A A . 62 HIS O 1 1 1 896 1 1 63 ASN C C -11.451 -4.595 -4.198 1.00 . A A . 63 ASN C 1 1 1 897 1 1 63 ASN CA C -10.084 -4.730 -3.555 1.00 . A A . 63 ASN CA 1 1 1 898 1 1 63 ASN CB C -9.413 -3.358 -3.221 1.00 . A A . 63 ASN CB 1 1 1 899 1 1 63 ASN CG C -8.956 -2.518 -4.411 1.00 . A A . 63 ASN CG 1 1 1 900 1 1 63 ASN H H -8.358 -5.236 -4.586 1.00 . A A . 63 ASN H 1 1 1 901 1 1 63 ASN HA H -10.289 -5.188 -2.607 1.00 . A A . 63 ASN HA 1 1 1 902 1 1 63 ASN HB2 H -10.139 -2.744 -2.649 1.00 . A A . 63 ASN HB2 1 1 1 903 1 1 63 ASN HB3 H -8.563 -3.544 -2.543 1.00 . A A . 63 ASN HB3 1 1 1 904 1 1 63 ASN HD21 H -7.054 -3.269 -4.516 1.00 . A A . 63 ASN HD21 1 1 1 905 1 1 63 ASN HD22 H -7.529 -2.237 -5.800 1.00 . A A . 63 ASN HD22 1 1 1 906 1 1 63 ASN N N -9.190 -5.639 -4.242 1.00 . A A . 63 ASN N 1 1 1 907 1 1 63 ASN ND2 N -7.777 -2.796 -5.006 1.00 . A A . 63 ASN ND2 1 1 1 908 1 1 63 ASN O O -12.464 -5.092 -3.716 1.00 . A A . 63 ASN O 1 1 1 909 1 1 63 ASN OD1 O -9.684 -1.613 -4.827 1.00 . A A . 63 ASN OD1 1 1 1 910 1 1 64 SER C C -12.628 -4.157 -7.439 1.00 . A A . 64 SER C 1 1 1 911 1 1 64 SER CA C -12.659 -3.521 -6.070 1.00 . A A . 64 SER CA 1 1 1 912 1 1 64 SER CB C -12.740 -1.986 -6.283 1.00 . A A . 64 SER CB 1 1 1 913 1 1 64 SER H H -10.593 -3.526 -5.621 1.00 . A A . 64 SER H 1 1 1 914 1 1 64 SER HA H -13.549 -3.856 -5.555 1.00 . A A . 64 SER HA 1 1 1 915 1 1 64 SER HB2 H -11.882 -1.648 -6.907 1.00 . A A . 64 SER HB2 1 1 1 916 1 1 64 SER HB3 H -13.688 -1.716 -6.801 1.00 . A A . 64 SER HB3 1 1 1 917 1 1 64 SER HG H -11.722 -1.174 -4.855 1.00 . A A . 64 SER HG 1 1 1 918 1 1 64 SER N N -11.470 -3.895 -5.329 1.00 . A A . 64 SER N 1 1 1 919 1 1 64 SER O O -11.550 -4.449 -7.965 1.00 . A A . 64 SER O 1 1 1 920 1 1 64 SER OG O -12.671 -1.294 -5.036 1.00 . A A . 64 SER OG 1 1 1 921 1 1 65 GLU C C -13.481 -3.931 -10.503 1.00 . A A . 65 GLU C 1 1 1 922 1 1 65 GLU CA C -14.076 -4.812 -9.409 1.00 . A A . 65 GLU CA 1 1 1 923 1 1 65 GLU CB C -15.578 -5.063 -9.702 1.00 . A A . 65 GLU CB 1 1 1 924 1 1 65 GLU CD C -17.130 -5.247 -7.643 1.00 . A A . 65 GLU CD 1 1 1 925 1 1 65 GLU CG C -16.319 -5.993 -8.703 1.00 . A A . 65 GLU CG 1 1 1 926 1 1 65 GLU H H -14.662 -4.217 -7.542 1.00 . A A . 65 GLU H 1 1 1 927 1 1 65 GLU HA H -13.578 -5.759 -9.507 1.00 . A A . 65 GLU HA 1 1 1 928 1 1 65 GLU HB2 H -16.114 -4.091 -9.776 1.00 . A A . 65 GLU HB2 1 1 1 929 1 1 65 GLU HB3 H -15.626 -5.557 -10.702 1.00 . A A . 65 GLU HB3 1 1 1 930 1 1 65 GLU HE2 H -16.952 -3.891 -6.288 1.00 . A A . 65 GLU HE2 1 1 1 931 1 1 65 GLU HG2 H -17.057 -6.604 -9.266 1.00 . A A . 65 GLU HG2 1 1 1 932 1 1 65 GLU HG3 H -15.624 -6.700 -8.209 1.00 . A A . 65 GLU HG3 1 1 1 933 1 1 65 GLU N N -13.815 -4.383 -8.045 1.00 . A A . 65 GLU N 1 1 1 934 1 1 65 GLU O O -14.162 -3.263 -11.284 1.00 . A A . 65 GLU O 1 1 1 935 1 1 65 GLU OE1 O -18.323 -5.378 -7.423 1.00 . A A . 65 GLU OE1 1 1 1 936 1 1 65 GLU OE2 O -16.387 -4.353 -6.913 1.00 . A A . 65 GLU OE2 1 1 1 937 1 1 66 ILE C C -9.971 -3.880 -11.534 1.00 . A A . 66 ILE C 1 1 1 938 1 1 66 ILE CA C -11.311 -3.188 -11.441 1.00 . A A . 66 ILE CA 1 1 1 939 1 1 66 ILE CB C -11.177 -1.722 -11.028 1.00 . A A . 66 ILE CB 1 1 1 940 1 1 66 ILE CD1 C -10.420 0.556 -11.943 1.00 . A A . 66 ILE CD1 1 1 1 941 1 1 66 ILE CG1 C -10.425 -0.958 -12.129 1.00 . A A . 66 ILE CG1 1 1 1 942 1 1 66 ILE CG2 C -10.564 -1.486 -9.630 1.00 . A A . 66 ILE CG2 1 1 1 943 1 1 66 ILE H H -11.729 -4.440 -9.812 1.00 . A A . 66 ILE H 1 1 1 944 1 1 66 ILE HA H -11.740 -3.238 -12.425 1.00 . A A . 66 ILE HA 1 1 1 945 1 1 66 ILE HB H -12.218 -1.330 -10.970 1.00 . A A . 66 ILE HB 1 1 1 946 1 1 66 ILE HD11 H -9.838 0.844 -11.043 1.00 . A A . 66 ILE HD11 1 1 1 947 1 1 66 ILE HD12 H -11.451 0.949 -11.828 1.00 . A A . 66 ILE HD12 1 1 1 948 1 1 66 ILE HD13 H -9.953 1.054 -12.820 1.00 . A A . 66 ILE HD13 1 1 1 949 1 1 66 ILE HG12 H -9.377 -1.323 -12.182 1.00 . A A . 66 ILE HG12 1 1 1 950 1 1 66 ILE HG13 H -10.910 -1.210 -13.097 1.00 . A A . 66 ILE HG13 1 1 1 951 1 1 66 ILE HG21 H -10.731 -0.429 -9.329 1.00 . A A . 66 ILE HG21 1 1 1 952 1 1 66 ILE HG22 H -9.469 -1.663 -9.635 1.00 . A A . 66 ILE HG22 1 1 1 953 1 1 66 ILE HG23 H -11.054 -2.127 -8.873 1.00 . A A . 66 ILE HG23 1 1 1 954 1 1 66 ILE N N -12.156 -3.938 -10.555 1.00 . A A . 66 ILE N 1 1 1 955 1 1 66 ILE O O -9.450 -4.140 -12.614 1.00 . A A . 66 ILE O 1 1 1 956 1 1 67 GLU C C -8.244 -5.933 -9.054 1.00 . A A . 67 GLU C 1 1 1 957 1 1 67 GLU CA C -8.135 -4.982 -10.268 1.00 . A A . 67 GLU CA 1 1 1 958 1 1 67 GLU CB C -6.928 -4.039 -10.019 1.00 . A A . 67 GLU CB 1 1 1 959 1 1 67 GLU CD C -5.483 -2.163 -10.897 1.00 . A A . 67 GLU CD 1 1 1 960 1 1 67 GLU CG C -6.490 -3.243 -11.268 1.00 . A A . 67 GLU CG 1 1 1 961 1 1 67 GLU H H -9.796 -4.086 -9.478 1.00 . A A . 67 GLU H 1 1 1 962 1 1 67 GLU HA H -7.983 -5.589 -11.152 1.00 . A A . 67 GLU HA 1 1 1 963 1 1 67 GLU HB2 H -7.212 -3.351 -9.191 1.00 . A A . 67 GLU HB2 1 1 1 964 1 1 67 GLU HB3 H -6.062 -4.647 -9.672 1.00 . A A . 67 GLU HB3 1 1 1 965 1 1 67 GLU HE2 H -7.067 -1.075 -10.576 1.00 . A A . 67 GLU HE2 1 1 1 966 1 1 67 GLU HG2 H -6.010 -3.932 -11.996 1.00 . A A . 67 GLU HG2 1 1 1 967 1 1 67 GLU HG3 H -7.367 -2.783 -11.767 1.00 . A A . 67 GLU HG3 1 1 1 968 1 1 67 GLU N N -9.381 -4.254 -10.371 1.00 . A A . 67 GLU N 1 1 1 969 1 1 67 GLU O O -8.375 -5.424 -7.906 1.00 . A A . 67 GLU O 1 1 1 970 1 1 67 GLU OXT O -8.171 -7.172 -9.264 1.00 . A A . 67 GLU OXT 1 1 1 971 1 1 67 GLU OE1 O -4.277 -2.289 -10.852 1.00 . A A . 67 GLU OE1 1 1 1 972 1 1 67 GLU OE2 O -6.116 -0.985 -10.569 1.00 . A A . 67 GLU OE2 1 1 1 973 2 2 1 CL CL CL 0.998 8.252 -4.854 1.00 . B A . 68 CL CL 1 1 1 974 3 2 1 CL CL CL -3.476 -3.564 10.825 1.00 . C A . 69 CL CL 1 1 1 975 4 2 1 CL CL CL 3.576 -0.981 3.663 1.00 . D A . 70 CL CL 1 1 1 976 5 2 1 CL CL CL 9.698 -0.926 6.645 1.00 . E A . 71 CL CL 1 1 1 977 6 2 1 CL CL CL 3.242 -14.317 10.714 1.00 . F A . 72 CL CL 1 1 1 978 7 2 1 CL CL CL -14.620 17.387 -0.907 1.00 . G A . 73 CL CL 1 1 1 979 8 2 1 CL CL CL 14.743 2.708 -16.133 1.00 . H A . 74 CL CL 1 1 1 980 9 2 1 CL CL CL -8.787 -11.842 -3.940 1.00 . I A . 75 CL CL 1 1 1 981 10 2 1 CL CL CL -8.733 -3.217 2.579 1.00 . J A . 76 CL CL 1 1 1 982 11 2 1 CL CL CL -4.476 -15.301 0.309 1.00 . K A . 77 CL CL 1 1 1 983 12 2 1 CL CL CL 2.920 9.743 13.119 1.00 . L A . 78 CL CL 1 1 2 984 1 1 1 GLY C C -7.075 -19.287 5.975 1.00 . A A . 1 GLY C 1 1 2 985 1 1 1 GLY CA C -7.816 -20.318 6.758 1.00 . A A . 1 GLY CA 1 1 2 986 1 1 1 GLY H1 H -7.901 -21.802 5.304 1.00 . A A . 1 GLY H1 1 1 2 987 1 1 1 GLY H2 H -8.034 -22.376 6.897 1.00 . A A . 1 GLY H2 1 1 2 988 1 1 1 GLY H3 H -6.527 -21.871 6.298 1.00 . A A . 1 GLY H3 1 1 2 989 1 1 1 GLY HA2 H -8.875 -20.147 6.630 1.00 . A A . 1 GLY HA2 1 1 2 990 1 1 1 GLY HA3 H -7.482 -20.276 7.783 1.00 . A A . 1 GLY HA3 1 1 2 991 1 1 1 GLY N N -7.554 -21.690 6.278 1.00 . A A . 1 GLY N 1 1 2 992 1 1 1 GLY O O -6.199 -19.593 5.168 1.00 . A A . 1 GLY O 1 1 2 993 1 1 2 ASP C C -7.055 -15.643 6.391 1.00 . A A . 2 ASP C 1 1 2 994 1 1 2 ASP CA C -6.829 -16.866 5.522 1.00 . A A . 2 ASP CA 1 1 2 995 1 1 2 ASP CB C -7.481 -16.570 4.138 1.00 . A A . 2 ASP CB 1 1 2 996 1 1 2 ASP CG C -7.146 -17.655 3.138 1.00 . A A . 2 ASP CG 1 1 2 997 1 1 2 ASP H H -8.169 -17.813 6.839 1.00 . A A . 2 ASP H 1 1 2 998 1 1 2 ASP HA H -5.755 -16.995 5.443 1.00 . A A . 2 ASP HA 1 1 2 999 1 1 2 ASP HB2 H -8.581 -16.470 4.246 1.00 . A A . 2 ASP HB2 1 1 2 1000 1 1 2 ASP HB3 H -7.083 -15.623 3.717 1.00 . A A . 2 ASP HB3 1 1 2 1001 1 1 2 ASP HD2 H -7.932 -19.242 2.345 1.00 . A A . 2 ASP HD2 1 1 2 1002 1 1 2 ASP N N -7.410 -18.006 6.204 1.00 . A A . 2 ASP N 1 1 2 1003 1 1 2 ASP O O -7.608 -14.628 5.971 1.00 . A A . 2 ASP O 1 1 2 1004 1 1 2 ASP OD1 O -6.084 -17.779 2.551 1.00 . A A . 2 ASP OD1 1 1 2 1005 1 1 2 ASP OD2 O -8.181 -18.530 2.948 1.00 . A A . 2 ASP OD2 1 1 2 1006 1 1 3 ASP C C -5.191 -14.244 8.896 1.00 . A A . 3 ASP C 1 1 2 1007 1 1 3 ASP CA C -6.617 -14.705 8.652 1.00 . A A . 3 ASP CA 1 1 2 1008 1 1 3 ASP CB C -7.353 -15.160 9.944 1.00 . A A . 3 ASP CB 1 1 2 1009 1 1 3 ASP CG C -6.761 -16.380 10.636 1.00 . A A . 3 ASP CG 1 1 2 1010 1 1 3 ASP H H -6.213 -16.598 7.958 1.00 . A A . 3 ASP H 1 1 2 1011 1 1 3 ASP HA H -7.153 -13.853 8.264 1.00 . A A . 3 ASP HA 1 1 2 1012 1 1 3 ASP HB2 H -7.369 -14.328 10.675 1.00 . A A . 3 ASP HB2 1 1 2 1013 1 1 3 ASP HB3 H -8.401 -15.399 9.676 1.00 . A A . 3 ASP HB3 1 1 2 1014 1 1 3 ASP HD2 H -6.652 -18.314 10.420 1.00 . A A . 3 ASP HD2 1 1 2 1015 1 1 3 ASP N N -6.599 -15.738 7.647 1.00 . A A . 3 ASP N 1 1 2 1016 1 1 3 ASP O O -4.459 -14.776 9.725 1.00 . A A . 3 ASP O 1 1 2 1017 1 1 3 ASP OD1 O -6.218 -16.388 11.727 1.00 . A A . 3 ASP OD1 1 1 2 1018 1 1 3 ASP OD2 O -6.928 -17.533 9.910 1.00 . A A . 3 ASP OD2 1 1 2 1019 1 1 4 VAL C C -3.438 -11.268 8.235 1.00 . A A . 4 VAL C 1 1 2 1020 1 1 4 VAL CA C -3.391 -12.778 8.075 1.00 . A A . 4 VAL CA 1 1 2 1021 1 1 4 VAL CB C -2.707 -13.155 6.764 1.00 . A A . 4 VAL CB 1 1 2 1022 1 1 4 VAL CG1 C -1.212 -12.801 6.803 1.00 . A A . 4 VAL CG1 1 1 2 1023 1 1 4 VAL CG2 C -2.871 -14.665 6.493 1.00 . A A . 4 VAL CG2 1 1 2 1024 1 1 4 VAL H H -5.369 -12.856 7.441 1.00 . A A . 4 VAL H 1 1 2 1025 1 1 4 VAL HA H -2.837 -13.184 8.908 1.00 . A A . 4 VAL HA 1 1 2 1026 1 1 4 VAL HB H -3.185 -12.596 5.930 1.00 . A A . 4 VAL HB 1 1 2 1027 1 1 4 VAL HG11 H -1.067 -11.708 6.813 1.00 . A A . 4 VAL HG11 1 1 2 1028 1 1 4 VAL HG12 H -0.703 -13.193 5.894 1.00 . A A . 4 VAL HG12 1 1 2 1029 1 1 4 VAL HG13 H -0.721 -13.227 7.702 1.00 . A A . 4 VAL HG13 1 1 2 1030 1 1 4 VAL HG21 H -3.932 -14.940 6.325 1.00 . A A . 4 VAL HG21 1 1 2 1031 1 1 4 VAL HG22 H -2.485 -15.265 7.342 1.00 . A A . 4 VAL HG22 1 1 2 1032 1 1 4 VAL HG23 H -2.308 -14.949 5.579 1.00 . A A . 4 VAL HG23 1 1 2 1033 1 1 4 VAL N N -4.754 -13.260 8.104 1.00 . A A . 4 VAL N 1 1 2 1034 1 1 4 VAL O O -4.241 -10.584 7.600 1.00 . A A . 4 VAL O 1 1 2 1035 1 1 5 LYS C C -1.416 -8.552 8.770 1.00 . A A . 5 LYS C 1 1 2 1036 1 1 5 LYS CA C -2.563 -9.283 9.433 1.00 . A A . 5 LYS CA 1 1 2 1037 1 1 5 LYS CB C -2.485 -9.086 10.954 1.00 . A A . 5 LYS CB 1 1 2 1038 1 1 5 LYS CD C -3.797 -9.223 13.150 1.00 . A A . 5 LYS CD 1 1 2 1039 1 1 5 LYS CE C -3.744 -7.715 13.428 1.00 . A A . 5 LYS CE 1 1 2 1040 1 1 5 LYS CG C -3.760 -9.568 11.657 1.00 . A A . 5 LYS CG 1 1 2 1041 1 1 5 LYS H H -1.978 -11.264 9.664 1.00 . A A . 5 LYS H 1 1 2 1042 1 1 5 LYS HA H -3.457 -8.814 9.063 1.00 . A A . 5 LYS HA 1 1 2 1043 1 1 5 LYS HB2 H -1.605 -9.631 11.351 1.00 . A A . 5 LYS HB2 1 1 2 1044 1 1 5 LYS HB3 H -2.326 -8.009 11.167 1.00 . A A . 5 LYS HB3 1 1 2 1045 1 1 5 LYS HD2 H -4.734 -9.641 13.582 1.00 . A A . 5 LYS HD2 1 1 2 1046 1 1 5 LYS HD3 H -2.941 -9.719 13.661 1.00 . A A . 5 LYS HD3 1 1 2 1047 1 1 5 LYS HE2 H -2.770 -7.283 13.121 1.00 . A A . 5 LYS HE2 1 1 2 1048 1 1 5 LYS HE3 H -4.560 -7.188 12.895 1.00 . A A . 5 LYS HE3 1 1 2 1049 1 1 5 LYS HG2 H -4.642 -9.116 11.153 1.00 . A A . 5 LYS HG2 1 1 2 1050 1 1 5 LYS HG3 H -3.845 -10.670 11.533 1.00 . A A . 5 LYS HG3 1 1 2 1051 1 1 5 LYS HZ1 H -3.155 -7.954 15.393 1.00 . A A . 5 LYS HZ1 1 1 2 1052 1 1 5 LYS HZ2 H -4.834 -7.794 15.181 1.00 . A A . 5 LYS HZ2 1 1 2 1053 1 1 5 LYS HZ3 H -3.830 -6.429 15.048 1.00 . A A . 5 LYS HZ3 1 1 2 1054 1 1 5 LYS N N -2.594 -10.699 9.114 1.00 . A A . 5 LYS N 1 1 2 1055 1 1 5 LYS NZ N -3.902 -7.451 14.869 1.00 . A A . 5 LYS NZ 1 1 2 1056 1 1 5 LYS O O -1.021 -7.447 9.143 1.00 . A A . 5 LYS O 1 1 2 1057 1 1 6 SER C C -0.311 -7.345 6.156 1.00 . A A . 6 SER C 1 1 2 1058 1 1 6 SER CA C 0.117 -8.635 6.822 1.00 . A A . 6 SER CA 1 1 2 1059 1 1 6 SER CB C 0.503 -9.635 5.696 1.00 . A A . 6 SER CB 1 1 2 1060 1 1 6 SER H H -1.294 -10.045 7.479 1.00 . A A . 6 SER H 1 1 2 1061 1 1 6 SER HA H 0.994 -8.415 7.412 1.00 . A A . 6 SER HA 1 1 2 1062 1 1 6 SER HB2 H 1.314 -9.217 5.058 1.00 . A A . 6 SER HB2 1 1 2 1063 1 1 6 SER HB3 H 0.889 -10.561 6.181 1.00 . A A . 6 SER HB3 1 1 2 1064 1 1 6 SER HG H -0.687 -9.294 4.200 1.00 . A A . 6 SER HG 1 1 2 1065 1 1 6 SER N N -0.886 -9.175 7.718 1.00 . A A . 6 SER N 1 1 2 1066 1 1 6 SER O O -1.494 -7.076 5.948 1.00 . A A . 6 SER O 1 1 2 1067 1 1 6 SER OG O -0.611 -9.993 4.868 1.00 . A A . 6 SER OG 1 1 2 1068 1 1 7 ALA C C 0.143 -6.129 3.387 1.00 . A A . 7 ALA C 1 1 2 1069 1 1 7 ALA CA C 0.410 -5.496 4.754 1.00 . A A . 7 ALA CA 1 1 2 1070 1 1 7 ALA CB C 1.582 -4.498 4.697 1.00 . A A . 7 ALA CB 1 1 2 1071 1 1 7 ALA H H 1.611 -6.676 6.010 1.00 . A A . 7 ALA H 1 1 2 1072 1 1 7 ALA HA H -0.490 -4.965 5.032 1.00 . A A . 7 ALA HA 1 1 2 1073 1 1 7 ALA HB1 H 1.384 -3.680 3.975 1.00 . A A . 7 ALA HB1 1 1 2 1074 1 1 7 ALA HB2 H 2.518 -5.016 4.400 1.00 . A A . 7 ALA HB2 1 1 2 1075 1 1 7 ALA HB3 H 1.746 -4.042 5.698 1.00 . A A . 7 ALA HB3 1 1 2 1076 1 1 7 ALA N N 0.661 -6.524 5.733 1.00 . A A . 7 ALA N 1 1 2 1077 1 1 7 ALA O O 0.640 -7.202 3.053 1.00 . A A . 7 ALA O 1 1 2 1078 1 1 8 CYS C C -1.104 -4.805 0.292 1.00 . A A . 8 CYS C 1 1 2 1079 1 1 8 CYS CA C -1.099 -5.956 1.276 1.00 . A A . 8 CYS CA 1 1 2 1080 1 1 8 CYS CB C -2.469 -6.687 1.287 1.00 . A A . 8 CYS CB 1 1 2 1081 1 1 8 CYS H H -1.135 -4.637 2.898 1.00 . A A . 8 CYS H 1 1 2 1082 1 1 8 CYS HA H -0.358 -6.657 0.914 1.00 . A A . 8 CYS HA 1 1 2 1083 1 1 8 CYS HB2 H -2.594 -7.220 0.316 1.00 . A A . 8 CYS HB2 1 1 2 1084 1 1 8 CYS HB3 H -2.433 -7.465 2.079 1.00 . A A . 8 CYS HB3 1 1 2 1085 1 1 8 CYS N N -0.709 -5.486 2.582 1.00 . A A . 8 CYS N 1 1 2 1086 1 1 8 CYS O O -1.240 -3.640 0.663 1.00 . A A . 8 CYS O 1 1 2 1087 1 1 8 CYS SG S -3.924 -5.623 1.584 1.00 . A A . 8 CYS SG 1 1 2 1088 1 1 9 CYS C C -1.093 -4.609 -3.355 1.00 . A A . 9 CYS C 1 1 2 1089 1 1 9 CYS CA C -0.751 -4.078 -1.982 1.00 . A A . 9 CYS CA 1 1 2 1090 1 1 9 CYS CB C 0.737 -3.646 -1.984 1.00 . A A . 9 CYS CB 1 1 2 1091 1 1 9 CYS H H -0.825 -6.065 -1.332 1.00 . A A . 9 CYS H 1 1 2 1092 1 1 9 CYS HA H -1.398 -3.241 -1.750 1.00 . A A . 9 CYS HA 1 1 2 1093 1 1 9 CYS HB2 H 1.057 -3.547 -0.924 1.00 . A A . 9 CYS HB2 1 1 2 1094 1 1 9 CYS HB3 H 1.352 -4.468 -2.416 1.00 . A A . 9 CYS HB3 1 1 2 1095 1 1 9 CYS N N -0.930 -5.117 -1.004 1.00 . A A . 9 CYS N 1 1 2 1096 1 1 9 CYS O O -0.593 -5.638 -3.789 1.00 . A A . 9 CYS O 1 1 2 1097 1 1 9 CYS SG S 1.067 -2.074 -2.829 1.00 . A A . 9 CYS SG 1 1 2 1098 1 1 10 ASP C C -1.391 -3.814 -6.508 1.00 . A A . 10 ASP C 1 1 2 1099 1 1 10 ASP CA C -2.318 -4.391 -5.438 1.00 . A A . 10 ASP CA 1 1 2 1100 1 1 10 ASP CB C -3.777 -4.015 -5.748 1.00 . A A . 10 ASP CB 1 1 2 1101 1 1 10 ASP CG C -4.743 -4.796 -4.871 1.00 . A A . 10 ASP CG 1 1 2 1102 1 1 10 ASP H H -2.455 -3.122 -3.768 1.00 . A A . 10 ASP H 1 1 2 1103 1 1 10 ASP HA H -2.227 -5.468 -5.504 1.00 . A A . 10 ASP HA 1 1 2 1104 1 1 10 ASP HB2 H -3.908 -2.931 -5.617 1.00 . A A . 10 ASP HB2 1 1 2 1105 1 1 10 ASP HB3 H -4.028 -4.228 -6.796 1.00 . A A . 10 ASP HB3 1 1 2 1106 1 1 10 ASP HD2 H -6.444 -4.546 -3.928 1.00 . A A . 10 ASP HD2 1 1 2 1107 1 1 10 ASP N N -1.977 -3.932 -4.105 1.00 . A A . 10 ASP N 1 1 2 1108 1 1 10 ASP O O -1.081 -4.485 -7.491 1.00 . A A . 10 ASP O 1 1 2 1109 1 1 10 ASP OD1 O -4.657 -5.978 -4.582 1.00 . A A . 10 ASP OD1 1 1 2 1110 1 1 10 ASP OD2 O -5.776 -4.020 -4.411 1.00 . A A . 10 ASP OD2 1 1 2 1111 1 1 11 THR C C 0.589 -0.743 -6.718 1.00 . A A . 11 THR C 1 1 2 1112 1 1 11 THR CA C -0.234 -1.821 -7.385 1.00 . A A . 11 THR CA 1 1 2 1113 1 1 11 THR CB C -1.224 -1.116 -8.320 1.00 . A A . 11 THR CB 1 1 2 1114 1 1 11 THR CG2 C -0.563 -0.191 -9.355 1.00 . A A . 11 THR CG2 1 1 2 1115 1 1 11 THR H H -1.230 -2.001 -5.579 1.00 . A A . 11 THR H 1 1 2 1116 1 1 11 THR HA H 0.449 -2.466 -7.920 1.00 . A A . 11 THR HA 1 1 2 1117 1 1 11 THR HB H -1.918 -0.509 -7.691 1.00 . A A . 11 THR HB 1 1 2 1118 1 1 11 THR HG1 H -1.383 -2.569 -9.581 1.00 . A A . 11 THR HG1 1 1 2 1119 1 1 11 THR HG21 H -0.072 0.677 -8.868 1.00 . A A . 11 THR HG21 1 1 2 1120 1 1 11 THR HG22 H -1.333 0.213 -10.047 1.00 . A A . 11 THR HG22 1 1 2 1121 1 1 11 THR HG23 H 0.199 -0.738 -9.949 1.00 . A A . 11 THR HG23 1 1 2 1122 1 1 11 THR N N -0.916 -2.567 -6.341 1.00 . A A . 11 THR N 1 1 2 1123 1 1 11 THR O O 0.170 -0.065 -5.775 1.00 . A A . 11 THR O 1 1 2 1124 1 1 11 THR OG1 O -2.009 -2.054 -9.046 1.00 . A A . 11 THR OG1 1 1 2 1125 1 1 12 CYS C C 3.977 0.599 -7.284 1.00 . A A . 12 CYS C 1 1 2 1126 1 1 12 CYS CA C 2.891 0.019 -6.419 1.00 . A A . 12 CYS CA 1 1 2 1127 1 1 12 CYS CB C 3.472 -1.088 -5.491 1.00 . A A . 12 CYS CB 1 1 2 1128 1 1 12 CYS H H 2.163 -1.095 -7.970 1.00 . A A . 12 CYS H 1 1 2 1129 1 1 12 CYS HA H 2.521 0.846 -5.838 1.00 . A A . 12 CYS HA 1 1 2 1130 1 1 12 CYS HB2 H 4.266 -0.686 -4.834 1.00 . A A . 12 CYS HB2 1 1 2 1131 1 1 12 CYS HB3 H 2.611 -1.400 -4.865 1.00 . A A . 12 CYS HB3 1 1 2 1132 1 1 12 CYS N N 1.830 -0.561 -7.192 1.00 . A A . 12 CYS N 1 1 2 1133 1 1 12 CYS O O 3.909 0.627 -8.512 1.00 . A A . 12 CYS O 1 1 2 1134 1 1 12 CYS SG S 4.061 -2.610 -6.306 1.00 . A A . 12 CYS SG 1 1 2 1135 1 1 13 LEU C C 7.251 1.737 -6.357 1.00 . A A . 13 LEU C 1 1 2 1136 1 1 13 LEU CA C 6.054 1.876 -7.258 1.00 . A A . 13 LEU CA 1 1 2 1137 1 1 13 LEU CB C 5.619 3.347 -7.393 1.00 . A A . 13 LEU CB 1 1 2 1138 1 1 13 LEU CD1 C 5.764 5.552 -8.557 1.00 . A A . 13 LEU CD1 1 1 2 1139 1 1 13 LEU CD2 C 7.803 4.723 -7.364 1.00 . A A . 13 LEU CD2 1 1 2 1140 1 1 13 LEU CG C 6.558 4.304 -8.157 1.00 . A A . 13 LEU CG 1 1 2 1141 1 1 13 LEU H H 4.932 1.244 -5.633 1.00 . A A . 13 LEU H 1 1 2 1142 1 1 13 LEU HA H 6.297 1.462 -8.224 1.00 . A A . 13 LEU HA 1 1 2 1143 1 1 13 LEU HB2 H 4.670 3.308 -7.966 1.00 . A A . 13 LEU HB2 1 1 2 1144 1 1 13 LEU HB3 H 5.368 3.754 -6.389 1.00 . A A . 13 LEU HB3 1 1 2 1145 1 1 13 LEU HD11 H 4.912 5.276 -9.214 1.00 . A A . 13 LEU HD11 1 1 2 1146 1 1 13 LEU HD12 H 6.409 6.267 -9.107 1.00 . A A . 13 LEU HD12 1 1 2 1147 1 1 13 LEU HD13 H 5.357 6.056 -7.655 1.00 . A A . 13 LEU HD13 1 1 2 1148 1 1 13 LEU HD21 H 8.523 3.883 -7.280 1.00 . A A . 13 LEU HD21 1 1 2 1149 1 1 13 LEU HD22 H 7.518 5.038 -6.338 1.00 . A A . 13 LEU HD22 1 1 2 1150 1 1 13 LEU HD23 H 8.321 5.561 -7.878 1.00 . A A . 13 LEU HD23 1 1 2 1151 1 1 13 LEU HG H 6.893 3.801 -9.095 1.00 . A A . 13 LEU HG 1 1 2 1152 1 1 13 LEU N N 5.010 1.123 -6.629 1.00 . A A . 13 LEU N 1 1 2 1153 1 1 13 LEU O O 7.311 2.234 -5.229 1.00 . A A . 13 LEU O 1 1 2 1154 1 1 14 CYS C C 10.552 1.654 -6.847 1.00 . A A . 14 CYS C 1 1 2 1155 1 1 14 CYS CA C 9.506 0.738 -6.257 1.00 . A A . 14 CYS CA 1 1 2 1156 1 1 14 CYS CB C 9.953 -0.737 -6.299 1.00 . A A . 14 CYS CB 1 1 2 1157 1 1 14 CYS H H 8.013 0.411 -7.671 1.00 . A A . 14 CYS H 1 1 2 1158 1 1 14 CYS HA H 9.456 1.025 -5.229 1.00 . A A . 14 CYS HA 1 1 2 1159 1 1 14 CYS HB2 H 10.081 -1.043 -7.356 1.00 . A A . 14 CYS HB2 1 1 2 1160 1 1 14 CYS HB3 H 10.952 -0.824 -5.827 1.00 . A A . 14 CYS HB3 1 1 2 1161 1 1 14 CYS N N 8.208 0.931 -6.844 1.00 . A A . 14 CYS N 1 1 2 1162 1 1 14 CYS O O 10.571 1.932 -8.047 1.00 . A A . 14 CYS O 1 1 2 1163 1 1 14 CYS SG S 8.808 -1.907 -5.473 1.00 . A A . 14 CYS SG 1 1 2 1164 1 1 15 THR C C 13.727 2.419 -7.056 1.00 . A A . 15 THR C 1 1 2 1165 1 1 15 THR CA C 12.504 3.086 -6.462 1.00 . A A . 15 THR CA 1 1 2 1166 1 1 15 THR CB C 13.023 4.034 -5.381 1.00 . A A . 15 THR CB 1 1 2 1167 1 1 15 THR CG2 C 11.855 4.866 -4.843 1.00 . A A . 15 THR CG2 1 1 2 1168 1 1 15 THR H H 11.436 1.971 -5.027 1.00 . A A . 15 THR H 1 1 2 1169 1 1 15 THR HA H 12.084 3.724 -7.224 1.00 . A A . 15 THR HA 1 1 2 1170 1 1 15 THR HB H 13.782 4.719 -5.835 1.00 . A A . 15 THR HB 1 1 2 1171 1 1 15 THR HG1 H 13.650 4.046 -3.586 1.00 . A A . 15 THR HG1 1 1 2 1172 1 1 15 THR HG21 H 12.219 5.641 -4.135 1.00 . A A . 15 THR HG21 1 1 2 1173 1 1 15 THR HG22 H 11.113 4.230 -4.314 1.00 . A A . 15 THR HG22 1 1 2 1174 1 1 15 THR HG23 H 11.334 5.376 -5.679 1.00 . A A . 15 THR HG23 1 1 2 1175 1 1 15 THR N N 11.467 2.162 -6.014 1.00 . A A . 15 THR N 1 1 2 1176 1 1 15 THR O O 14.124 1.312 -6.701 1.00 . A A . 15 THR O 1 1 2 1177 1 1 15 THR OG1 O 13.601 3.363 -4.265 1.00 . A A . 15 THR OG1 1 1 2 1178 1 1 16 ARG C C 16.587 3.737 -7.147 1.00 . A A . 16 ARG C 1 1 2 1179 1 1 16 ARG CA C 15.815 2.978 -8.216 1.00 . A A . 16 ARG CA 1 1 2 1180 1 1 16 ARG CB C 16.222 3.506 -9.614 1.00 . A A . 16 ARG CB 1 1 2 1181 1 1 16 ARG CD C 17.034 1.365 -10.737 1.00 . A A . 16 ARG CD 1 1 2 1182 1 1 16 ARG CG C 15.999 2.497 -10.752 1.00 . A A . 16 ARG CG 1 1 2 1183 1 1 16 ARG CZ C 16.065 -0.722 -11.771 1.00 . A A . 16 ARG CZ 1 1 2 1184 1 1 16 ARG H H 14.030 3.997 -8.301 1.00 . A A . 16 ARG H 1 1 2 1185 1 1 16 ARG HA H 16.051 1.931 -8.141 1.00 . A A . 16 ARG HA 1 1 2 1186 1 1 16 ARG HB2 H 15.650 4.432 -9.834 1.00 . A A . 16 ARG HB2 1 1 2 1187 1 1 16 ARG HB3 H 17.303 3.769 -9.642 1.00 . A A . 16 ARG HB3 1 1 2 1188 1 1 16 ARG HD2 H 18.054 1.788 -10.872 1.00 . A A . 16 ARG HD2 1 1 2 1189 1 1 16 ARG HD3 H 17.013 0.798 -9.783 1.00 . A A . 16 ARG HD3 1 1 2 1190 1 1 16 ARG HE H 17.295 0.589 -12.731 1.00 . A A . 16 ARG HE 1 1 2 1191 1 1 16 ARG HG2 H 14.967 2.097 -10.688 1.00 . A A . 16 ARG HG2 1 1 2 1192 1 1 16 ARG HG3 H 16.091 3.043 -11.719 1.00 . A A . 16 ARG HG3 1 1 2 1193 1 1 16 ARG HH11 H 15.361 -0.365 -9.876 1.00 . A A . 16 ARG HH11 1 1 2 1194 1 1 16 ARG HH12 H 14.848 -1.866 -10.577 1.00 . A A . 16 ARG HH12 1 1 2 1195 1 1 16 ARG HH21 H 16.597 -1.416 -13.632 1.00 . A A . 16 ARG HH21 1 1 2 1196 1 1 16 ARG HH22 H 15.550 -2.463 -12.730 1.00 . A A . 16 ARG HH22 1 1 2 1197 1 1 16 ARG N N 14.406 3.151 -7.958 1.00 . A A . 16 ARG N 1 1 2 1198 1 1 16 ARG NE N 16.788 0.434 -11.884 1.00 . A A . 16 ARG NE 1 1 2 1199 1 1 16 ARG NH1 N 15.359 -1.009 -10.642 1.00 . A A . 16 ARG NH1 1 1 2 1200 1 1 16 ARG NH2 N 16.062 -1.608 -12.808 1.00 . A A . 16 ARG NH2 1 1 2 1201 1 1 16 ARG O O 16.440 4.949 -6.997 1.00 . A A . 16 ARG O 1 1 2 1202 1 1 17 SER C C 19.059 2.512 -4.702 1.00 . A A . 17 SER C 1 1 2 1203 1 1 17 SER CA C 18.166 3.601 -5.261 1.00 . A A . 17 SER CA 1 1 2 1204 1 1 17 SER CB C 17.266 4.162 -4.115 1.00 . A A . 17 SER CB 1 1 2 1205 1 1 17 SER H H 17.535 2.057 -6.499 1.00 . A A . 17 SER H 1 1 2 1206 1 1 17 SER HA H 18.796 4.385 -5.645 1.00 . A A . 17 SER HA 1 1 2 1207 1 1 17 SER HB2 H 16.432 4.743 -4.561 1.00 . A A . 17 SER HB2 1 1 2 1208 1 1 17 SER HB3 H 16.812 3.330 -3.535 1.00 . A A . 17 SER HB3 1 1 2 1209 1 1 17 SER HG H 17.402 5.348 -2.557 1.00 . A A . 17 SER HG 1 1 2 1210 1 1 17 SER N N 17.429 3.037 -6.374 1.00 . A A . 17 SER N 1 1 2 1211 1 1 17 SER O O 19.268 1.477 -5.330 1.00 . A A . 17 SER O 1 1 2 1212 1 1 17 SER OG O 18.006 5.032 -3.257 1.00 . A A . 17 SER OG 1 1 2 1213 1 1 18 GLN C C 20.495 2.157 -1.355 1.00 . A A . 18 GLN C 1 1 2 1214 1 1 18 GLN CA C 20.595 1.898 -2.861 1.00 . A A . 18 GLN CA 1 1 2 1215 1 1 18 GLN CB C 22.033 2.263 -3.308 1.00 . A A . 18 GLN CB 1 1 2 1216 1 1 18 GLN CD C 23.860 2.020 -5.079 1.00 . A A . 18 GLN CD 1 1 2 1217 1 1 18 GLN CG C 22.413 1.712 -4.702 1.00 . A A . 18 GLN CG 1 1 2 1218 1 1 18 GLN H H 19.380 3.592 -3.065 1.00 . A A . 18 GLN H 1 1 2 1219 1 1 18 GLN HA H 20.398 0.859 -3.074 1.00 . A A . 18 GLN HA 1 1 2 1220 1 1 18 GLN HB2 H 22.132 3.374 -3.302 1.00 . A A . 18 GLN HB2 1 1 2 1221 1 1 18 GLN HB3 H 22.759 1.862 -2.567 1.00 . A A . 18 GLN HB3 1 1 2 1222 1 1 18 GLN HE21 H 24.576 0.749 -3.656 1.00 . A A . 18 GLN HE21 1 1 2 1223 1 1 18 GLN HE22 H 25.779 1.548 -4.637 1.00 . A A . 18 GLN HE22 1 1 2 1224 1 1 18 GLN HG2 H 22.265 0.614 -4.750 1.00 . A A . 18 GLN HG2 1 1 2 1225 1 1 18 GLN HG3 H 21.770 2.181 -5.476 1.00 . A A . 18 GLN HG3 1 1 2 1226 1 1 18 GLN N N 19.614 2.730 -3.511 1.00 . A A . 18 GLN N 1 1 2 1227 1 1 18 GLN NE2 N 24.827 1.417 -4.353 1.00 . A A . 18 GLN NE2 1 1 2 1228 1 1 18 GLN O O 21.021 3.159 -0.861 1.00 . A A . 18 GLN O 1 1 2 1229 1 1 18 GLN OE1 O 24.116 2.775 -6.017 1.00 . A A . 18 GLN OE1 1 1 2 1230 1 1 19 PRO C C 17.688 0.759 -1.679 1.00 . A A . 19 PRO C 1 1 2 1231 1 1 19 PRO CA C 18.955 0.229 -1.018 1.00 . A A . 19 PRO CA 1 1 2 1232 1 1 19 PRO CB C 18.625 -0.495 0.295 1.00 . A A . 19 PRO CB 1 1 2 1233 1 1 19 PRO CD C 19.749 1.529 0.873 1.00 . A A . 19 PRO CD 1 1 2 1234 1 1 19 PRO CG C 18.620 0.615 1.346 1.00 . A A . 19 PRO CG 1 1 2 1235 1 1 19 PRO HA H 19.480 -0.402 -1.717 1.00 . A A . 19 PRO HA 1 1 2 1236 1 1 19 PRO HB2 H 17.662 -1.053 0.257 1.00 . A A . 19 PRO HB2 1 1 2 1237 1 1 19 PRO HB3 H 19.465 -1.194 0.525 1.00 . A A . 19 PRO HB3 1 1 2 1238 1 1 19 PRO HD2 H 19.522 2.593 1.109 1.00 . A A . 19 PRO HD2 1 1 2 1239 1 1 19 PRO HD3 H 20.714 1.226 1.333 1.00 . A A . 19 PRO HD3 1 1 2 1240 1 1 19 PRO HG2 H 17.655 1.166 1.302 1.00 . A A . 19 PRO HG2 1 1 2 1241 1 1 19 PRO HG3 H 18.786 0.231 2.374 1.00 . A A . 19 PRO HG3 1 1 2 1242 1 1 19 PRO N N 19.827 1.314 -0.574 1.00 . A A . 19 PRO N 1 1 2 1243 1 1 19 PRO O O 17.365 1.928 -1.458 1.00 . A A . 19 PRO O 1 1 2 1244 1 1 20 PRO C C 14.621 0.460 -1.899 1.00 . A A . 20 PRO C 1 1 2 1245 1 1 20 PRO CA C 15.661 0.432 -2.991 1.00 . A A . 20 PRO CA 1 1 2 1246 1 1 20 PRO CB C 15.323 -0.612 -4.061 1.00 . A A . 20 PRO CB 1 1 2 1247 1 1 20 PRO CD C 17.317 -1.339 -2.950 1.00 . A A . 20 PRO CD 1 1 2 1248 1 1 20 PRO CG C 16.030 -1.875 -3.576 1.00 . A A . 20 PRO CG 1 1 2 1249 1 1 20 PRO HA H 15.715 1.428 -3.401 1.00 . A A . 20 PRO HA 1 1 2 1250 1 1 20 PRO HB2 H 14.233 -0.758 -4.213 1.00 . A A . 20 PRO HB2 1 1 2 1251 1 1 20 PRO HB3 H 15.773 -0.297 -5.029 1.00 . A A . 20 PRO HB3 1 1 2 1252 1 1 20 PRO HD2 H 17.643 -1.988 -2.104 1.00 . A A . 20 PRO HD2 1 1 2 1253 1 1 20 PRO HD3 H 18.119 -1.261 -3.722 1.00 . A A . 20 PRO HD3 1 1 2 1254 1 1 20 PRO HG2 H 15.403 -2.353 -2.792 1.00 . A A . 20 PRO HG2 1 1 2 1255 1 1 20 PRO HG3 H 16.221 -2.593 -4.397 1.00 . A A . 20 PRO HG3 1 1 2 1256 1 1 20 PRO N N 16.960 0.006 -2.493 1.00 . A A . 20 PRO N 1 1 2 1257 1 1 20 PRO O O 14.836 -0.038 -0.793 1.00 . A A . 20 PRO O 1 1 2 1258 1 1 21 THR C C 11.181 1.542 -1.990 1.00 . A A . 21 THR C 1 1 2 1259 1 1 21 THR CA C 12.448 1.329 -1.213 1.00 . A A . 21 THR CA 1 1 2 1260 1 1 21 THR CB C 12.795 2.470 -0.272 1.00 . A A . 21 THR CB 1 1 2 1261 1 1 21 THR CG2 C 12.874 3.844 -0.949 1.00 . A A . 21 THR CG2 1 1 2 1262 1 1 21 THR H H 13.348 1.452 -3.116 1.00 . A A . 21 THR H 1 1 2 1263 1 1 21 THR HA H 12.291 0.438 -0.624 1.00 . A A . 21 THR HA 1 1 2 1264 1 1 21 THR HB H 13.797 2.238 0.156 1.00 . A A . 21 THR HB 1 1 2 1265 1 1 21 THR HG1 H 12.398 2.934 1.532 1.00 . A A . 21 THR HG1 1 1 2 1266 1 1 21 THR HG21 H 13.001 4.635 -0.179 1.00 . A A . 21 THR HG21 1 1 2 1267 1 1 21 THR HG22 H 11.952 4.067 -1.524 1.00 . A A . 21 THR HG22 1 1 2 1268 1 1 21 THR HG23 H 13.746 3.895 -1.627 1.00 . A A . 21 THR HG23 1 1 2 1269 1 1 21 THR N N 13.478 1.070 -2.197 1.00 . A A . 21 THR N 1 1 2 1270 1 1 21 THR O O 11.205 1.907 -3.165 1.00 . A A . 21 THR O 1 1 2 1271 1 1 21 THR OG1 O 11.876 2.557 0.799 1.00 . A A . 21 THR OG1 1 1 2 1272 1 1 22 CYS C C 7.605 1.385 -1.516 1.00 . A A . 22 CYS C 1 1 2 1273 1 1 22 CYS CA C 8.857 0.983 -2.241 1.00 . A A . 22 CYS CA 1 1 2 1274 1 1 22 CYS CB C 8.811 -0.495 -2.744 1.00 . A A . 22 CYS CB 1 1 2 1275 1 1 22 CYS H H 9.983 0.966 -0.436 1.00 . A A . 22 CYS H 1 1 2 1276 1 1 22 CYS HA H 8.878 1.654 -3.088 1.00 . A A . 22 CYS HA 1 1 2 1277 1 1 22 CYS HB2 H 9.842 -0.753 -3.070 1.00 . A A . 22 CYS HB2 1 1 2 1278 1 1 22 CYS HB3 H 8.567 -1.170 -1.902 1.00 . A A . 22 CYS HB3 1 1 2 1279 1 1 22 CYS N N 10.029 1.186 -1.415 1.00 . A A . 22 CYS N 1 1 2 1280 1 1 22 CYS O O 7.601 1.619 -0.306 1.00 . A A . 22 CYS O 1 1 2 1281 1 1 22 CYS SG S 7.694 -0.840 -4.140 1.00 . A A . 22 CYS SG 1 1 2 1282 1 1 23 ARG C C 4.121 1.671 -2.753 1.00 . A A . 23 ARG C 1 1 2 1283 1 1 23 ARG CA C 5.207 1.813 -1.729 1.00 . A A . 23 ARG CA 1 1 2 1284 1 1 23 ARG CB C 5.165 3.271 -1.192 1.00 . A A . 23 ARG CB 1 1 2 1285 1 1 23 ARG CD C 4.855 5.096 -3.053 1.00 . A A . 23 ARG CD 1 1 2 1286 1 1 23 ARG CG C 5.794 4.357 -2.089 1.00 . A A . 23 ARG CG 1 1 2 1287 1 1 23 ARG CZ C 3.900 6.950 -1.592 1.00 . A A . 23 ARG CZ 1 1 2 1288 1 1 23 ARG H H 6.585 1.371 -3.264 1.00 . A A . 23 ARG H 1 1 2 1289 1 1 23 ARG HA H 4.964 1.124 -0.939 1.00 . A A . 23 ARG HA 1 1 2 1290 1 1 23 ARG HB2 H 4.147 3.580 -0.876 1.00 . A A . 23 ARG HB2 1 1 2 1291 1 1 23 ARG HB3 H 5.777 3.282 -0.266 1.00 . A A . 23 ARG HB3 1 1 2 1292 1 1 23 ARG HD2 H 5.400 5.848 -3.656 1.00 . A A . 23 ARG HD2 1 1 2 1293 1 1 23 ARG HD3 H 4.355 4.384 -3.739 1.00 . A A . 23 ARG HD3 1 1 2 1294 1 1 23 ARG HE H 2.859 5.369 -2.334 1.00 . A A . 23 ARG HE 1 1 2 1295 1 1 23 ARG HG2 H 6.229 5.088 -1.376 1.00 . A A . 23 ARG HG2 1 1 2 1296 1 1 23 ARG HG3 H 6.651 3.949 -2.660 1.00 . A A . 23 ARG HG3 1 1 2 1297 1 1 23 ARG HH11 H 5.902 7.282 -1.960 1.00 . A A . 23 ARG HH11 1 1 2 1298 1 1 23 ARG HH12 H 5.149 8.492 -1.013 1.00 . A A . 23 ARG HH12 1 1 2 1299 1 1 23 ARG HH21 H 1.943 6.888 -1.064 1.00 . A A . 23 ARG HH21 1 1 2 1300 1 1 23 ARG HH22 H 2.797 8.280 -0.452 1.00 . A A . 23 ARG HH22 1 1 2 1301 1 1 23 ARG N N 6.495 1.436 -2.263 1.00 . A A . 23 ARG N 1 1 2 1302 1 1 23 ARG NE N 3.769 5.781 -2.290 1.00 . A A . 23 ARG NE 1 1 2 1303 1 1 23 ARG NH1 N 5.077 7.633 -1.520 1.00 . A A . 23 ARG NH1 1 1 2 1304 1 1 23 ARG NH2 N 2.780 7.429 -0.979 1.00 . A A . 23 ARG NH2 1 1 2 1305 1 1 23 ARG O O 4.348 1.604 -3.958 1.00 . A A . 23 ARG O 1 1 2 1306 1 1 24 CYS C C 1.246 2.740 -3.604 1.00 . A A . 24 CYS C 1 1 2 1307 1 1 24 CYS CA C 1.671 1.409 -3.031 1.00 . A A . 24 CYS CA 1 1 2 1308 1 1 24 CYS CB C 0.524 0.836 -2.151 1.00 . A A . 24 CYS CB 1 1 2 1309 1 1 24 CYS H H 2.768 1.599 -1.264 1.00 . A A . 24 CYS H 1 1 2 1310 1 1 24 CYS HA H 1.843 0.744 -3.858 1.00 . A A . 24 CYS HA 1 1 2 1311 1 1 24 CYS HB2 H 0.257 1.583 -1.370 1.00 . A A . 24 CYS HB2 1 1 2 1312 1 1 24 CYS HB3 H -0.388 0.650 -2.758 1.00 . A A . 24 CYS HB3 1 1 2 1313 1 1 24 CYS N N 2.883 1.557 -2.251 1.00 . A A . 24 CYS N 1 1 2 1314 1 1 24 CYS O O 1.813 3.776 -3.285 1.00 . A A . 24 CYS O 1 1 2 1315 1 1 24 CYS SG S 1.002 -0.713 -1.325 1.00 . A A . 24 CYS SG 1 1 2 1316 1 1 25 VAL C C -1.558 3.579 -5.927 1.00 . A A . 25 VAL C 1 1 2 1317 1 1 25 VAL CA C -0.205 3.854 -5.268 1.00 . A A . 25 VAL CA 1 1 2 1318 1 1 25 VAL CB C 0.744 4.117 -6.472 1.00 . A A . 25 VAL CB 1 1 2 1319 1 1 25 VAL CG1 C 2.194 4.468 -6.073 1.00 . A A . 25 VAL CG1 1 1 2 1320 1 1 25 VAL CG2 C 0.769 2.936 -7.464 1.00 . A A . 25 VAL CG2 1 1 2 1321 1 1 25 VAL H H -0.098 1.856 -4.675 1.00 . A A . 25 VAL H 1 1 2 1322 1 1 25 VAL HA H -0.307 4.743 -4.669 1.00 . A A . 25 VAL HA 1 1 2 1323 1 1 25 VAL HB H 0.343 5.012 -7.005 1.00 . A A . 25 VAL HB 1 1 2 1324 1 1 25 VAL HG11 H 2.203 5.255 -5.287 1.00 . A A . 25 VAL HG11 1 1 2 1325 1 1 25 VAL HG12 H 2.775 4.831 -6.947 1.00 . A A . 25 VAL HG12 1 1 2 1326 1 1 25 VAL HG13 H 2.713 3.568 -5.671 1.00 . A A . 25 VAL HG13 1 1 2 1327 1 1 25 VAL HG21 H -0.178 2.837 -8.032 1.00 . A A . 25 VAL HG21 1 1 2 1328 1 1 25 VAL HG22 H 0.942 1.999 -6.900 1.00 . A A . 25 VAL HG22 1 1 2 1329 1 1 25 VAL HG23 H 1.590 3.056 -8.203 1.00 . A A . 25 VAL HG23 1 1 2 1330 1 1 25 VAL N N 0.153 2.762 -4.369 1.00 . A A . 25 VAL N 1 1 2 1331 1 1 25 VAL O O -2.190 4.519 -6.409 1.00 . A A . 25 VAL O 1 1 2 1332 1 1 26 ASP C C -3.957 2.737 -4.225 1.00 . A A . 26 ASP C 1 1 2 1333 1 1 26 ASP CA C -3.580 2.264 -5.627 1.00 . A A . 26 ASP CA 1 1 2 1334 1 1 26 ASP CB C -4.140 0.835 -5.881 1.00 . A A . 26 ASP CB 1 1 2 1335 1 1 26 ASP CG C -3.612 -0.225 -4.915 1.00 . A A . 26 ASP CG 1 1 2 1336 1 1 26 ASP H H -1.679 1.482 -5.737 1.00 . A A . 26 ASP H 1 1 2 1337 1 1 26 ASP HA H -4.071 2.928 -6.326 1.00 . A A . 26 ASP HA 1 1 2 1338 1 1 26 ASP HB2 H -5.250 0.865 -5.845 1.00 . A A . 26 ASP HB2 1 1 2 1339 1 1 26 ASP HB3 H -3.841 0.523 -6.903 1.00 . A A . 26 ASP HB3 1 1 2 1340 1 1 26 ASP HD2 H -5.475 -0.562 -4.367 1.00 . A A . 26 ASP HD2 1 1 2 1341 1 1 26 ASP N N -2.145 2.353 -5.841 1.00 . A A . 26 ASP N 1 1 2 1342 1 1 26 ASP O O -3.260 2.441 -3.259 1.00 . A A . 26 ASP O 1 1 2 1343 1 1 26 ASP OD1 O -2.460 -0.624 -4.862 1.00 . A A . 26 ASP OD1 1 1 2 1344 1 1 26 ASP OD2 O -4.571 -0.752 -4.078 1.00 . A A . 26 ASP OD2 1 1 2 1345 1 1 27 VAL C C -6.517 2.635 -2.351 1.00 . A A . 27 VAL C 1 1 2 1346 1 1 27 VAL CA C -5.623 3.766 -2.775 1.00 . A A . 27 VAL CA 1 1 2 1347 1 1 27 VAL CB C -6.371 5.086 -2.685 1.00 . A A . 27 VAL CB 1 1 2 1348 1 1 27 VAL CG1 C -5.538 6.178 -3.370 1.00 . A A . 27 VAL CG1 1 1 2 1349 1 1 27 VAL CG2 C -7.792 5.036 -3.277 1.00 . A A . 27 VAL CG2 1 1 2 1350 1 1 27 VAL H H -5.596 3.796 -4.867 1.00 . A A . 27 VAL H 1 1 2 1351 1 1 27 VAL HA H -4.829 3.823 -2.045 1.00 . A A . 27 VAL HA 1 1 2 1352 1 1 27 VAL HB H -6.453 5.326 -1.607 1.00 . A A . 27 VAL HB 1 1 2 1353 1 1 27 VAL HG11 H -5.523 6.020 -4.468 1.00 . A A . 27 VAL HG11 1 1 2 1354 1 1 27 VAL HG12 H -4.492 6.159 -3.007 1.00 . A A . 27 VAL HG12 1 1 2 1355 1 1 27 VAL HG13 H -5.972 7.180 -3.168 1.00 . A A . 27 VAL HG13 1 1 2 1356 1 1 27 VAL HG21 H -8.457 4.380 -2.675 1.00 . A A . 27 VAL HG21 1 1 2 1357 1 1 27 VAL HG22 H -7.773 4.658 -4.320 1.00 . A A . 27 VAL HG22 1 1 2 1358 1 1 27 VAL HG23 H -8.243 6.050 -3.279 1.00 . A A . 27 VAL HG23 1 1 2 1359 1 1 27 VAL N N -5.068 3.474 -4.084 1.00 . A A . 27 VAL N 1 1 2 1360 1 1 27 VAL O O -7.142 1.981 -3.185 1.00 . A A . 27 VAL O 1 1 2 1361 1 1 28 ARG C C -7.766 1.310 0.863 1.00 . A A . 28 ARG C 1 1 2 1362 1 1 28 ARG CA C -7.409 1.258 -0.599 1.00 . A A . 28 ARG CA 1 1 2 1363 1 1 28 ARG CB C -6.776 -0.099 -0.949 1.00 . A A . 28 ARG CB 1 1 2 1364 1 1 28 ARG CD C -5.522 -1.254 1.017 1.00 . A A . 28 ARG CD 1 1 2 1365 1 1 28 ARG CG C -5.433 -0.411 -0.266 1.00 . A A . 28 ARG CG 1 1 2 1366 1 1 28 ARG CZ C -6.497 -3.322 -0.081 1.00 . A A . 28 ARG CZ 1 1 2 1367 1 1 28 ARG H H -6.105 2.885 -0.360 1.00 . A A . 28 ARG H 1 1 2 1368 1 1 28 ARG HA H -8.351 1.325 -1.119 1.00 . A A . 28 ARG HA 1 1 2 1369 1 1 28 ARG HB2 H -7.519 -0.902 -0.796 1.00 . A A . 28 ARG HB2 1 1 2 1370 1 1 28 ARG HB3 H -6.596 -0.105 -2.038 1.00 . A A . 28 ARG HB3 1 1 2 1371 1 1 28 ARG HD2 H -4.549 -1.695 1.291 1.00 . A A . 28 ARG HD2 1 1 2 1372 1 1 28 ARG HD3 H -5.879 -0.594 1.830 1.00 . A A . 28 ARG HD3 1 1 2 1373 1 1 28 ARG HE H -7.329 -2.319 1.474 1.00 . A A . 28 ARG HE 1 1 2 1374 1 1 28 ARG HG2 H -4.801 -0.969 -0.993 1.00 . A A . 28 ARG HG2 1 1 2 1375 1 1 28 ARG HG3 H -4.913 0.539 -0.018 1.00 . A A . 28 ARG HG3 1 1 2 1376 1 1 28 ARG HH11 H -4.740 -2.761 -0.969 1.00 . A A . 28 ARG HH11 1 1 2 1377 1 1 28 ARG HH12 H -5.551 -4.106 -1.707 1.00 . A A . 28 ARG HH12 1 1 2 1378 1 1 28 ARG HH21 H -8.310 -4.059 0.476 1.00 . A A . 28 ARG HH21 1 1 2 1379 1 1 28 ARG HH22 H -7.580 -4.845 -0.910 1.00 . A A . 28 ARG HH22 1 1 2 1380 1 1 28 ARG N N -6.601 2.360 -1.046 1.00 . A A . 28 ARG N 1 1 2 1381 1 1 28 ARG NE N -6.520 -2.360 0.889 1.00 . A A . 28 ARG NE 1 1 2 1382 1 1 28 ARG NH1 N -5.480 -3.432 -0.977 1.00 . A A . 28 ARG NH1 1 1 2 1383 1 1 28 ARG NH2 N -7.560 -4.166 -0.177 1.00 . A A . 28 ARG NH2 1 1 2 1384 1 1 28 ARG O O -7.274 2.128 1.637 1.00 . A A . 28 ARG O 1 1 2 1385 1 1 29 GLU C C -8.371 0.166 3.720 1.00 . A A . 29 GLU C 1 1 2 1386 1 1 29 GLU CA C -9.315 0.263 2.525 1.00 . A A . 29 GLU CA 1 1 2 1387 1 1 29 GLU CB C -10.292 -0.926 2.404 1.00 . A A . 29 GLU CB 1 1 2 1388 1 1 29 GLU CD C -12.382 -1.888 1.332 1.00 . A A . 29 GLU CD 1 1 2 1389 1 1 29 GLU CG C -11.543 -0.626 1.536 1.00 . A A . 29 GLU CG 1 1 2 1390 1 1 29 GLU H H -8.914 -0.329 0.616 1.00 . A A . 29 GLU H 1 1 2 1391 1 1 29 GLU HA H -9.889 1.155 2.705 1.00 . A A . 29 GLU HA 1 1 2 1392 1 1 29 GLU HB2 H -9.732 -1.747 1.905 1.00 . A A . 29 GLU HB2 1 1 2 1393 1 1 29 GLU HB3 H -10.610 -1.269 3.413 1.00 . A A . 29 GLU HB3 1 1 2 1394 1 1 29 GLU HE2 H -13.850 -2.824 2.122 1.00 . A A . 29 GLU HE2 1 1 2 1395 1 1 29 GLU HG2 H -12.154 0.161 2.022 1.00 . A A . 29 GLU HG2 1 1 2 1396 1 1 29 GLU HG3 H -11.246 -0.270 0.526 1.00 . A A . 29 GLU HG3 1 1 2 1397 1 1 29 GLU N N -8.691 0.413 1.239 1.00 . A A . 29 GLU N 1 1 2 1398 1 1 29 GLU O O -8.292 1.082 4.536 1.00 . A A . 29 GLU O 1 1 2 1399 1 1 29 GLU OE1 O -12.120 -2.803 0.573 1.00 . A A . 29 GLU OE1 1 1 2 1400 1 1 29 GLU OE2 O -13.515 -1.923 2.108 1.00 . A A . 29 GLU OE2 1 1 2 1401 1 1 30 SER C C -5.540 -0.364 5.142 1.00 . A A . 30 SER C 1 1 2 1402 1 1 30 SER CA C -6.803 -1.194 5.048 1.00 . A A . 30 SER CA 1 1 2 1403 1 1 30 SER CB C -6.375 -2.675 5.287 1.00 . A A . 30 SER CB 1 1 2 1404 1 1 30 SER H H -7.731 -1.699 3.207 1.00 . A A . 30 SER H 1 1 2 1405 1 1 30 SER HA H -7.401 -0.904 5.894 1.00 . A A . 30 SER HA 1 1 2 1406 1 1 30 SER HB2 H -5.763 -3.044 4.433 1.00 . A A . 30 SER HB2 1 1 2 1407 1 1 30 SER HB3 H -5.748 -2.726 6.208 1.00 . A A . 30 SER HB3 1 1 2 1408 1 1 30 SER HG H -7.142 -4.433 5.646 1.00 . A A . 30 SER HG 1 1 2 1409 1 1 30 SER N N -7.648 -0.956 3.878 1.00 . A A . 30 SER N 1 1 2 1410 1 1 30 SER O O -4.701 -0.327 4.242 1.00 . A A . 30 SER O 1 1 2 1411 1 1 30 SER OG O -7.504 -3.536 5.474 1.00 . A A . 30 SER OG 1 1 2 1412 1 1 31 CYS C C -3.484 -0.009 7.791 1.00 . A A . 31 CYS C 1 1 2 1413 1 1 31 CYS CA C -4.095 0.880 6.721 1.00 . A A . 31 CYS CA 1 1 2 1414 1 1 31 CYS CB C -4.279 2.333 7.240 1.00 . A A . 31 CYS CB 1 1 2 1415 1 1 31 CYS H H -6.079 0.243 6.992 1.00 . A A . 31 CYS H 1 1 2 1416 1 1 31 CYS HA H -3.397 0.886 5.896 1.00 . A A . 31 CYS HA 1 1 2 1417 1 1 31 CYS HB2 H -5.380 2.502 7.361 1.00 . A A . 31 CYS HB2 1 1 2 1418 1 1 31 CYS HB3 H -3.783 2.481 8.229 1.00 . A A . 31 CYS HB3 1 1 2 1419 1 1 31 CYS N N -5.352 0.282 6.304 1.00 . A A . 31 CYS N 1 1 2 1420 1 1 31 CYS O O -4.156 -0.848 8.391 1.00 . A A . 31 CYS O 1 1 2 1421 1 1 31 CYS SG S -3.611 3.559 6.064 1.00 . A A . 31 CYS SG 1 1 2 1422 1 1 32 HIS C C -0.398 0.184 9.671 1.00 . A A . 32 HIS C 1 1 2 1423 1 1 32 HIS CA C -1.487 -0.661 9.054 1.00 . A A . 32 HIS CA 1 1 2 1424 1 1 32 HIS CB C -0.820 -1.950 8.500 1.00 . A A . 32 HIS CB 1 1 2 1425 1 1 32 HIS CD2 C -2.054 -4.190 9.021 1.00 . A A . 32 HIS CD2 1 1 2 1426 1 1 32 HIS CE1 C -3.206 -4.272 7.171 1.00 . A A . 32 HIS CE1 1 1 2 1427 1 1 32 HIS CG C -1.760 -3.090 8.283 1.00 . A A . 32 HIS CG 1 1 2 1428 1 1 32 HIS H H -1.598 0.757 7.540 1.00 . A A . 32 HIS H 1 1 2 1429 1 1 32 HIS HA H -2.182 -0.905 9.851 1.00 . A A . 32 HIS HA 1 1 2 1430 1 1 32 HIS HB2 H -0.355 -1.722 7.520 1.00 . A A . 32 HIS HB2 1 1 2 1431 1 1 32 HIS HB3 H -0.044 -2.340 9.185 1.00 . A A . 32 HIS HB3 1 1 2 1432 1 1 32 HIS HD1 H -2.433 -2.523 6.375 1.00 . A A . 32 HIS HD1 1 1 2 1433 1 1 32 HIS HD2 H -1.677 -4.514 9.982 1.00 . A A . 32 HIS HD2 1 1 2 1434 1 1 32 HIS HE1 H -3.885 -4.552 6.399 1.00 . A A . 32 HIS HE1 1 1 2 1435 1 1 32 HIS HE2 H -3.390 -5.774 8.599 1.00 . A A . 32 HIS HE2 1 1 2 1436 1 1 32 HIS N N -2.165 0.105 8.033 1.00 . A A . 32 HIS N 1 1 2 1437 1 1 32 HIS ND1 N -2.480 -3.172 7.133 1.00 . A A . 32 HIS ND1 1 1 2 1438 1 1 32 HIS NE2 N -2.964 -4.915 8.304 1.00 . A A . 32 HIS NE2 1 1 2 1439 1 1 32 HIS O O 0.040 1.193 9.119 1.00 . A A . 32 HIS O 1 1 2 1440 1 1 33 SER C C 2.541 0.222 10.957 1.00 . A A . 33 SER C 1 1 2 1441 1 1 33 SER CA C 1.172 0.408 11.583 1.00 . A A . 33 SER CA 1 1 2 1442 1 1 33 SER CB C 1.260 -0.146 13.020 1.00 . A A . 33 SER CB 1 1 2 1443 1 1 33 SER H H -0.291 -1.041 11.306 1.00 . A A . 33 SER H 1 1 2 1444 1 1 33 SER HA H 0.953 1.469 11.607 1.00 . A A . 33 SER HA 1 1 2 1445 1 1 33 SER HB2 H 1.518 -1.229 12.993 1.00 . A A . 33 SER HB2 1 1 2 1446 1 1 33 SER HB3 H 2.043 0.379 13.614 1.00 . A A . 33 SER HB3 1 1 2 1447 1 1 33 SER HG H 0.128 -0.355 14.573 1.00 . A A . 33 SER HG 1 1 2 1448 1 1 33 SER N N 0.113 -0.252 10.834 1.00 . A A . 33 SER N 1 1 2 1449 1 1 33 SER O O 3.541 0.773 11.403 1.00 . A A . 33 SER O 1 1 2 1450 1 1 33 SER OG O -0.004 -0.008 13.667 1.00 . A A . 33 SER OG 1 1 2 1451 1 1 34 ALA C C 4.306 0.421 8.322 1.00 . A A . 34 ALA C 1 1 2 1452 1 1 34 ALA CA C 3.777 -0.802 9.051 1.00 . A A . 34 ALA CA 1 1 2 1453 1 1 34 ALA CB C 3.441 -1.919 8.039 1.00 . A A . 34 ALA CB 1 1 2 1454 1 1 34 ALA H H 1.780 -0.997 9.556 1.00 . A A . 34 ALA H 1 1 2 1455 1 1 34 ALA HA H 4.555 -1.122 9.719 1.00 . A A . 34 ALA HA 1 1 2 1456 1 1 34 ALA HB1 H 3.116 -2.832 8.583 1.00 . A A . 34 ALA HB1 1 1 2 1457 1 1 34 ALA HB2 H 4.331 -2.195 7.436 1.00 . A A . 34 ALA HB2 1 1 2 1458 1 1 34 ALA HB3 H 2.629 -1.609 7.345 1.00 . A A . 34 ALA HB3 1 1 2 1459 1 1 34 ALA N N 2.607 -0.546 9.853 1.00 . A A . 34 ALA N 1 1 2 1460 1 1 34 ALA O O 5.465 0.471 7.915 1.00 . A A . 34 ALA O 1 1 2 1461 1 1 35 CYS C C 3.559 3.787 8.813 1.00 . A A . 35 CYS C 1 1 2 1462 1 1 35 CYS CA C 3.826 2.769 7.722 1.00 . A A . 35 CYS CA 1 1 2 1463 1 1 35 CYS CB C 3.054 3.075 6.421 1.00 . A A . 35 CYS CB 1 1 2 1464 1 1 35 CYS H H 2.519 1.359 8.471 1.00 . A A . 35 CYS H 1 1 2 1465 1 1 35 CYS HA H 4.884 2.798 7.518 1.00 . A A . 35 CYS HA 1 1 2 1466 1 1 35 CYS HB2 H 3.517 3.951 5.925 1.00 . A A . 35 CYS HB2 1 1 2 1467 1 1 35 CYS HB3 H 3.216 2.174 5.786 1.00 . A A . 35 CYS HB3 1 1 2 1468 1 1 35 CYS N N 3.460 1.451 8.171 1.00 . A A . 35 CYS N 1 1 2 1469 1 1 35 CYS O O 2.722 3.563 9.683 1.00 . A A . 35 CYS O 1 1 2 1470 1 1 35 CYS SG S 1.254 3.343 6.561 1.00 . A A . 35 CYS SG 1 1 2 1471 1 1 36 ASP C C 2.859 6.775 9.730 1.00 . A A . 36 ASP C 1 1 2 1472 1 1 36 ASP CA C 4.102 5.912 9.896 1.00 . A A . 36 ASP CA 1 1 2 1473 1 1 36 ASP CB C 5.393 6.758 10.111 1.00 . A A . 36 ASP CB 1 1 2 1474 1 1 36 ASP CG C 5.719 7.759 9.016 1.00 . A A . 36 ASP CG 1 1 2 1475 1 1 36 ASP H H 4.968 5.140 8.148 1.00 . A A . 36 ASP H 1 1 2 1476 1 1 36 ASP HA H 3.949 5.368 10.823 1.00 . A A . 36 ASP HA 1 1 2 1477 1 1 36 ASP HB2 H 5.289 7.343 11.050 1.00 . A A . 36 ASP HB2 1 1 2 1478 1 1 36 ASP HB3 H 6.253 6.067 10.229 1.00 . A A . 36 ASP HB3 1 1 2 1479 1 1 36 ASP HD2 H 6.524 7.822 7.263 1.00 . A A . 36 ASP HD2 1 1 2 1480 1 1 36 ASP N N 4.264 4.936 8.828 1.00 . A A . 36 ASP N 1 1 2 1481 1 1 36 ASP O O 2.061 6.917 10.649 1.00 . A A . 36 ASP O 1 1 2 1482 1 1 36 ASP OD1 O 5.660 8.968 9.121 1.00 . A A . 36 ASP OD1 1 1 2 1483 1 1 36 ASP OD2 O 6.080 7.166 7.835 1.00 . A A . 36 ASP OD2 1 1 2 1484 1 1 37 LYS C C 0.583 7.628 7.332 1.00 . A A . 37 LYS C 1 1 2 1485 1 1 37 LYS CA C 1.597 8.278 8.247 1.00 . A A . 37 LYS CA 1 1 2 1486 1 1 37 LYS CB C 2.109 9.574 7.574 1.00 . A A . 37 LYS CB 1 1 2 1487 1 1 37 LYS CD C 0.705 11.351 8.818 1.00 . A A . 37 LYS CD 1 1 2 1488 1 1 37 LYS CE C -0.204 12.586 8.704 1.00 . A A . 37 LYS CE 1 1 2 1489 1 1 37 LYS CG C 1.056 10.694 7.469 1.00 . A A . 37 LYS CG 1 1 2 1490 1 1 37 LYS H H 3.349 7.256 7.816 1.00 . A A . 37 LYS H 1 1 2 1491 1 1 37 LYS HA H 1.086 8.537 9.158 1.00 . A A . 37 LYS HA 1 1 2 1492 1 1 37 LYS HB2 H 2.976 9.950 8.152 1.00 . A A . 37 LYS HB2 1 1 2 1493 1 1 37 LYS HB3 H 2.489 9.343 6.554 1.00 . A A . 37 LYS HB3 1 1 2 1494 1 1 37 LYS HD2 H 0.219 10.608 9.489 1.00 . A A . 37 LYS HD2 1 1 2 1495 1 1 37 LYS HD3 H 1.647 11.677 9.313 1.00 . A A . 37 LYS HD3 1 1 2 1496 1 1 37 LYS HE2 H -0.281 13.090 9.692 1.00 . A A . 37 LYS HE2 1 1 2 1497 1 1 37 LYS HE3 H 0.199 13.306 7.962 1.00 . A A . 37 LYS HE3 1 1 2 1498 1 1 37 LYS HG2 H 1.451 11.480 6.788 1.00 . A A . 37 LYS HG2 1 1 2 1499 1 1 37 LYS HG3 H 0.139 10.283 6.997 1.00 . A A . 37 LYS HG3 1 1 2 1500 1 1 37 LYS HZ1 H -1.986 11.579 9.008 1.00 . A A . 37 LYS HZ1 1 1 2 1501 1 1 37 LYS HZ2 H -1.550 11.734 7.373 1.00 . A A . 37 LYS HZ2 1 1 2 1502 1 1 37 LYS HZ3 H -2.161 13.073 8.224 1.00 . A A . 37 LYS HZ3 1 1 2 1503 1 1 37 LYS N N 2.687 7.380 8.540 1.00 . A A . 37 LYS N 1 1 2 1504 1 1 37 LYS NZ N -1.576 12.216 8.292 1.00 . A A . 37 LYS NZ 1 1 2 1505 1 1 37 LYS O O 0.777 7.524 6.121 1.00 . A A . 37 LYS O 1 1 2 1506 1 1 38 CYS C C -2.533 8.231 6.987 1.00 . A A . 38 CYS C 1 1 2 1507 1 1 38 CYS CA C -1.744 6.943 7.117 1.00 . A A . 38 CYS CA 1 1 2 1508 1 1 38 CYS CB C -2.601 5.872 7.834 1.00 . A A . 38 CYS CB 1 1 2 1509 1 1 38 CYS H H -0.676 7.075 8.872 1.00 . A A . 38 CYS H 1 1 2 1510 1 1 38 CYS HA H -1.492 6.601 6.125 1.00 . A A . 38 CYS HA 1 1 2 1511 1 1 38 CYS HB2 H -1.936 4.997 8.030 1.00 . A A . 38 CYS HB2 1 1 2 1512 1 1 38 CYS HB3 H -2.892 6.300 8.828 1.00 . A A . 38 CYS HB3 1 1 2 1513 1 1 38 CYS N N -0.556 7.193 7.881 1.00 . A A . 38 CYS N 1 1 2 1514 1 1 38 CYS O O -2.733 8.967 7.949 1.00 . A A . 38 CYS O 1 1 2 1515 1 1 38 CYS SG S -4.086 5.343 6.905 1.00 . A A . 38 CYS SG 1 1 2 1516 1 1 39 VAL C C -5.205 8.700 5.076 1.00 . A A . 39 VAL C 1 1 2 1517 1 1 39 VAL CA C -4.035 9.522 5.549 1.00 . A A . 39 VAL CA 1 1 2 1518 1 1 39 VAL CB C -3.575 10.429 4.436 1.00 . A A . 39 VAL CB 1 1 2 1519 1 1 39 VAL CG1 C -4.688 11.339 3.922 1.00 . A A . 39 VAL CG1 1 1 2 1520 1 1 39 VAL CG2 C -2.423 11.293 4.957 1.00 . A A . 39 VAL CG2 1 1 2 1521 1 1 39 VAL H H -2.781 8.030 4.947 1.00 . A A . 39 VAL H 1 1 2 1522 1 1 39 VAL HA H -4.294 10.083 6.435 1.00 . A A . 39 VAL HA 1 1 2 1523 1 1 39 VAL HB H -3.213 9.795 3.602 1.00 . A A . 39 VAL HB 1 1 2 1524 1 1 39 VAL HG11 H -4.242 12.051 3.195 1.00 . A A . 39 VAL HG11 1 1 2 1525 1 1 39 VAL HG12 H -5.118 11.906 4.775 1.00 . A A . 39 VAL HG12 1 1 2 1526 1 1 39 VAL HG13 H -5.476 10.752 3.411 1.00 . A A . 39 VAL HG13 1 1 2 1527 1 1 39 VAL HG21 H -2.784 11.918 5.800 1.00 . A A . 39 VAL HG21 1 1 2 1528 1 1 39 VAL HG22 H -2.074 11.965 4.146 1.00 . A A . 39 VAL HG22 1 1 2 1529 1 1 39 VAL HG23 H -1.578 10.660 5.296 1.00 . A A . 39 VAL HG23 1 1 2 1530 1 1 39 VAL N N -3.013 8.539 5.778 1.00 . A A . 39 VAL N 1 1 2 1531 1 1 39 VAL O O -5.011 7.816 4.242 1.00 . A A . 39 VAL O 1 1 2 1532 1 1 40 CYS C C -8.827 8.825 5.225 1.00 . A A . 40 CYS C 1 1 2 1533 1 1 40 CYS CA C -7.538 8.063 5.269 1.00 . A A . 40 CYS CA 1 1 2 1534 1 1 40 CYS CB C -7.592 6.921 6.289 1.00 . A A . 40 CYS CB 1 1 2 1535 1 1 40 CYS H H -6.599 9.600 6.303 1.00 . A A . 40 CYS H 1 1 2 1536 1 1 40 CYS HA H -7.405 7.675 4.280 1.00 . A A . 40 CYS HA 1 1 2 1537 1 1 40 CYS HB2 H -6.532 6.648 6.451 1.00 . A A . 40 CYS HB2 1 1 2 1538 1 1 40 CYS HB3 H -7.986 7.305 7.257 1.00 . A A . 40 CYS HB3 1 1 2 1539 1 1 40 CYS N N -6.434 8.937 5.568 1.00 . A A . 40 CYS N 1 1 2 1540 1 1 40 CYS O O -9.622 8.873 6.159 1.00 . A A . 40 CYS O 1 1 2 1541 1 1 40 CYS SG S -8.441 5.425 5.698 1.00 . A A . 40 CYS SG 1 1 2 1542 1 1 41 ALA C C -11.466 9.463 3.656 1.00 . A A . 41 ALA C 1 1 2 1543 1 1 41 ALA CA C -10.197 10.279 3.793 1.00 . A A . 41 ALA CA 1 1 2 1544 1 1 41 ALA CB C -9.982 11.206 2.596 1.00 . A A . 41 ALA CB 1 1 2 1545 1 1 41 ALA H H -8.426 9.283 3.310 1.00 . A A . 41 ALA H 1 1 2 1546 1 1 41 ALA HA H -10.354 10.928 4.644 1.00 . A A . 41 ALA HA 1 1 2 1547 1 1 41 ALA HB1 H -10.843 11.897 2.490 1.00 . A A . 41 ALA HB1 1 1 2 1548 1 1 41 ALA HB2 H -9.851 10.625 1.663 1.00 . A A . 41 ALA HB2 1 1 2 1549 1 1 41 ALA HB3 H -9.074 11.823 2.766 1.00 . A A . 41 ALA HB3 1 1 2 1550 1 1 41 ALA N N -9.028 9.493 4.083 1.00 . A A . 41 ALA N 1 1 2 1551 1 1 41 ALA O O -11.521 8.423 2.995 1.00 . A A . 41 ALA O 1 1 2 1552 1 1 42 TYR C C -14.776 9.216 3.477 1.00 . A A . 42 TYR C 1 1 2 1553 1 1 42 TYR CA C -13.768 9.296 4.605 1.00 . A A . 42 TYR CA 1 1 2 1554 1 1 42 TYR CB C -14.375 9.996 5.846 1.00 . A A . 42 TYR CB 1 1 2 1555 1 1 42 TYR CD1 C -15.624 12.016 4.986 1.00 . A A . 42 TYR CD1 1 1 2 1556 1 1 42 TYR CD2 C -13.464 12.374 6.020 1.00 . A A . 42 TYR CD2 1 1 2 1557 1 1 42 TYR CE1 C -15.707 13.379 4.687 1.00 . A A . 42 TYR CE1 1 1 2 1558 1 1 42 TYR CE2 C -13.541 13.736 5.704 1.00 . A A . 42 TYR CE2 1 1 2 1559 1 1 42 TYR CG C -14.498 11.491 5.641 1.00 . A A . 42 TYR CG 1 1 2 1560 1 1 42 TYR CZ C -14.661 14.234 5.033 1.00 . A A . 42 TYR CZ 1 1 2 1561 1 1 42 TYR H H -12.452 10.868 4.691 1.00 . A A . 42 TYR H 1 1 2 1562 1 1 42 TYR HA H -13.515 8.284 4.854 1.00 . A A . 42 TYR HA 1 1 2 1563 1 1 42 TYR HB2 H -15.360 9.566 6.126 1.00 . A A . 42 TYR HB2 1 1 2 1564 1 1 42 TYR HB3 H -13.669 9.818 6.682 1.00 . A A . 42 TYR HB3 1 1 2 1565 1 1 42 TYR HD1 H -16.432 11.366 4.681 1.00 . A A . 42 TYR HD1 1 1 2 1566 1 1 42 TYR HD2 H -12.577 12.011 6.525 1.00 . A A . 42 TYR HD2 1 1 2 1567 1 1 42 TYR HE1 H -16.583 13.754 4.178 1.00 . A A . 42 TYR HE1 1 1 2 1568 1 1 42 TYR HE2 H -12.720 14.393 5.959 1.00 . A A . 42 TYR HE2 1 1 2 1569 1 1 42 TYR HH H -15.491 15.697 4.080 1.00 . A A . 42 TYR HH 1 1 2 1570 1 1 42 TYR N N -12.540 9.976 4.264 1.00 . A A . 42 TYR N 1 1 2 1571 1 1 42 TYR O O -15.968 8.983 3.676 1.00 . A A . 42 TYR O 1 1 2 1572 1 1 42 TYR OH O -14.736 15.593 4.691 1.00 . A A . 42 TYR OH 1 1 2 1573 1 1 43 SER C C -15.566 7.956 0.666 1.00 . A A . 43 SER C 1 1 2 1574 1 1 43 SER CA C -14.945 9.309 0.972 1.00 . A A . 43 SER CA 1 1 2 1575 1 1 43 SER CB C -13.973 9.651 -0.187 1.00 . A A . 43 SER CB 1 1 2 1576 1 1 43 SER H H -13.295 9.576 2.242 1.00 . A A . 43 SER H 1 1 2 1577 1 1 43 SER HA H -15.747 10.028 0.963 1.00 . A A . 43 SER HA 1 1 2 1578 1 1 43 SER HB2 H -13.190 8.858 -0.265 1.00 . A A . 43 SER HB2 1 1 2 1579 1 1 43 SER HB3 H -14.527 9.724 -1.150 1.00 . A A . 43 SER HB3 1 1 2 1580 1 1 43 SER HG H -12.961 11.147 -0.853 1.00 . A A . 43 SER HG 1 1 2 1581 1 1 43 SER N N -14.272 9.392 2.255 1.00 . A A . 43 SER N 1 1 2 1582 1 1 43 SER O O -15.650 7.048 1.493 1.00 . A A . 43 SER O 1 1 2 1583 1 1 43 SER OG O -13.338 10.909 0.014 1.00 . A A . 43 SER OG 1 1 2 1584 1 1 44 ASN C C -16.365 6.357 -2.476 1.00 . A A . 44 ASN C 1 1 2 1585 1 1 44 ASN CA C -16.743 6.637 -1.025 1.00 . A A . 44 ASN CA 1 1 2 1586 1 1 44 ASN CB C -18.221 7.063 -0.888 1.00 . A A . 44 ASN CB 1 1 2 1587 1 1 44 ASN CG C -19.239 5.969 -1.170 1.00 . A A . 44 ASN CG 1 1 2 1588 1 1 44 ASN H H -15.997 8.547 -1.212 1.00 . A A . 44 ASN H 1 1 2 1589 1 1 44 ASN HA H -16.535 5.783 -0.405 1.00 . A A . 44 ASN HA 1 1 2 1590 1 1 44 ASN HB2 H -18.369 7.389 0.158 1.00 . A A . 44 ASN HB2 1 1 2 1591 1 1 44 ASN HB3 H -18.420 7.962 -1.497 1.00 . A A . 44 ASN HB3 1 1 2 1592 1 1 44 ASN HD21 H -19.126 6.221 -3.203 1.00 . A A . 44 ASN HD21 1 1 2 1593 1 1 44 ASN HD22 H -20.398 5.199 -2.662 1.00 . A A . 44 ASN HD22 1 1 2 1594 1 1 44 ASN N N -15.980 7.769 -0.590 1.00 . A A . 44 ASN N 1 1 2 1595 1 1 44 ASN ND2 N -19.587 5.751 -2.457 1.00 . A A . 44 ASN ND2 1 1 2 1596 1 1 44 ASN O O -16.784 7.092 -3.370 1.00 . A A . 44 ASN O 1 1 2 1597 1 1 44 ASN OD1 O -19.727 5.322 -0.238 1.00 . A A . 44 ASN OD1 1 1 2 1598 1 1 45 PRO C C -13.680 5.419 -1.126 1.00 . A A . 45 PRO C 1 1 2 1599 1 1 45 PRO CA C -14.766 4.569 -1.783 1.00 . A A . 45 PRO CA 1 1 2 1600 1 1 45 PRO CB C -14.175 3.446 -2.648 1.00 . A A . 45 PRO CB 1 1 2 1601 1 1 45 PRO CD C -15.207 4.999 -4.131 1.00 . A A . 45 PRO CD 1 1 2 1602 1 1 45 PRO CG C -13.982 4.094 -4.017 1.00 . A A . 45 PRO CG 1 1 2 1603 1 1 45 PRO HA H -15.417 4.202 -1.006 1.00 . A A . 45 PRO HA 1 1 2 1604 1 1 45 PRO HB2 H -13.256 3.005 -2.230 1.00 . A A . 45 PRO HB2 1 1 2 1605 1 1 45 PRO HB3 H -14.915 2.625 -2.723 1.00 . A A . 45 PRO HB3 1 1 2 1606 1 1 45 PRO HD2 H -14.996 5.901 -4.746 1.00 . A A . 45 PRO HD2 1 1 2 1607 1 1 45 PRO HD3 H -16.054 4.432 -4.574 1.00 . A A . 45 PRO HD3 1 1 2 1608 1 1 45 PRO HG2 H -13.057 4.708 -4.006 1.00 . A A . 45 PRO HG2 1 1 2 1609 1 1 45 PRO HG3 H -13.915 3.357 -4.842 1.00 . A A . 45 PRO HG3 1 1 2 1610 1 1 45 PRO N N -15.548 5.344 -2.751 1.00 . A A . 45 PRO N 1 1 2 1611 1 1 45 PRO O O -13.414 6.508 -1.644 1.00 . A A . 45 PRO O 1 1 2 1612 1 1 46 PRO C C -10.884 6.148 0.054 1.00 . A A . 46 PRO C 1 1 2 1613 1 1 46 PRO CA C -12.204 5.931 0.747 1.00 . A A . 46 PRO CA 1 1 2 1614 1 1 46 PRO CB C -11.991 5.203 2.075 1.00 . A A . 46 PRO CB 1 1 2 1615 1 1 46 PRO CD C -13.302 3.773 0.693 1.00 . A A . 46 PRO CD 1 1 2 1616 1 1 46 PRO CG C -12.179 3.730 1.727 1.00 . A A . 46 PRO CG 1 1 2 1617 1 1 46 PRO HA H -12.666 6.893 0.884 1.00 . A A . 46 PRO HA 1 1 2 1618 1 1 46 PRO HB2 H -11.011 5.423 2.542 1.00 . A A . 46 PRO HB2 1 1 2 1619 1 1 46 PRO HB3 H -12.794 5.504 2.781 1.00 . A A . 46 PRO HB3 1 1 2 1620 1 1 46 PRO HD2 H -13.199 2.910 -0.019 1.00 . A A . 46 PRO HD2 1 1 2 1621 1 1 46 PRO HD3 H -14.293 3.808 1.223 1.00 . A A . 46 PRO HD3 1 1 2 1622 1 1 46 PRO HG2 H -11.251 3.341 1.247 1.00 . A A . 46 PRO HG2 1 1 2 1623 1 1 46 PRO HG3 H -12.440 3.138 2.624 1.00 . A A . 46 PRO HG3 1 1 2 1624 1 1 46 PRO N N -13.092 5.048 0.005 1.00 . A A . 46 PRO N 1 1 2 1625 1 1 46 PRO O O -10.429 5.311 -0.724 1.00 . A A . 46 PRO O 1 1 2 1626 1 1 47 GLN C C -7.990 7.615 0.796 1.00 . A A . 47 GLN C 1 1 2 1627 1 1 47 GLN CA C -9.010 7.662 -0.297 1.00 . A A . 47 GLN CA 1 1 2 1628 1 1 47 GLN CB C -9.093 9.055 -0.958 1.00 . A A . 47 GLN CB 1 1 2 1629 1 1 47 GLN CD C -9.959 8.350 -3.279 1.00 . A A . 47 GLN CD 1 1 2 1630 1 1 47 GLN CG C -10.230 9.153 -2.004 1.00 . A A . 47 GLN CG 1 1 2 1631 1 1 47 GLN H H -10.545 7.875 1.087 1.00 . A A . 47 GLN H 1 1 2 1632 1 1 47 GLN HA H -8.724 6.941 -1.044 1.00 . A A . 47 GLN HA 1 1 2 1633 1 1 47 GLN HB2 H -9.275 9.831 -0.183 1.00 . A A . 47 GLN HB2 1 1 2 1634 1 1 47 GLN HB3 H -8.118 9.291 -1.433 1.00 . A A . 47 GLN HB3 1 1 2 1635 1 1 47 GLN HE21 H -8.551 9.688 -3.874 1.00 . A A . 47 GLN HE21 1 1 2 1636 1 1 47 GLN HE22 H -8.765 8.333 -4.933 1.00 . A A . 47 GLN HE22 1 1 2 1637 1 1 47 GLN HG2 H -11.181 8.787 -1.563 1.00 . A A . 47 GLN HG2 1 1 2 1638 1 1 47 GLN HG3 H -10.374 10.213 -2.291 1.00 . A A . 47 GLN HG3 1 1 2 1639 1 1 47 GLN N N -10.243 7.288 0.337 1.00 . A A . 47 GLN N 1 1 2 1640 1 1 47 GLN NE2 N -8.952 8.795 -4.063 1.00 . A A . 47 GLN NE2 1 1 2 1641 1 1 47 GLN O O -7.946 8.459 1.686 1.00 . A A . 47 GLN O 1 1 2 1642 1 1 47 GLN OE1 O -10.647 7.377 -3.591 1.00 . A A . 47 GLN OE1 1 1 2 1643 1 1 48 CYS C C -5.357 5.335 1.640 1.00 . A A . 48 CYS C 1 1 2 1644 1 1 48 CYS CA C -6.583 6.105 2.014 1.00 . A A . 48 CYS CA 1 1 2 1645 1 1 48 CYS CB C -7.600 5.225 2.777 1.00 . A A . 48 CYS CB 1 1 2 1646 1 1 48 CYS H H -7.227 5.889 0.072 1.00 . A A . 48 CYS H 1 1 2 1647 1 1 48 CYS HA H -6.277 6.939 2.608 1.00 . A A . 48 CYS HA 1 1 2 1648 1 1 48 CYS HB2 H -8.520 5.821 2.886 1.00 . A A . 48 CYS HB2 1 1 2 1649 1 1 48 CYS HB3 H -7.880 4.374 2.133 1.00 . A A . 48 CYS HB3 1 1 2 1650 1 1 48 CYS N N -7.156 6.577 0.786 1.00 . A A . 48 CYS N 1 1 2 1651 1 1 48 CYS O O -5.353 4.497 0.738 1.00 . A A . 48 CYS O 1 1 2 1652 1 1 48 CYS SG S -7.084 4.617 4.416 1.00 . A A . 48 CYS SG 1 1 2 1653 1 1 49 GLN C C -1.944 5.662 2.908 1.00 . A A . 49 GLN C 1 1 2 1654 1 1 49 GLN CA C -2.924 5.552 1.773 1.00 . A A . 49 GLN CA 1 1 2 1655 1 1 49 GLN CB C -2.521 6.705 0.823 1.00 . A A . 49 GLN CB 1 1 2 1656 1 1 49 GLN CD C -3.091 7.931 -1.288 1.00 . A A . 49 GLN CD 1 1 2 1657 1 1 49 GLN CG C -2.994 6.553 -0.636 1.00 . A A . 49 GLN CG 1 1 2 1658 1 1 49 GLN H H -4.320 6.469 2.972 1.00 . A A . 49 GLN H 1 1 2 1659 1 1 49 GLN HA H -2.837 4.570 1.338 1.00 . A A . 49 GLN HA 1 1 2 1660 1 1 49 GLN HB2 H -2.970 7.619 1.283 1.00 . A A . 49 GLN HB2 1 1 2 1661 1 1 49 GLN HB3 H -1.416 6.847 0.788 1.00 . A A . 49 GLN HB3 1 1 2 1662 1 1 49 GLN HE21 H -4.735 8.343 -0.164 1.00 . A A . 49 GLN HE21 1 1 2 1663 1 1 49 GLN HE22 H -4.201 9.640 -1.191 1.00 . A A . 49 GLN HE22 1 1 2 1664 1 1 49 GLN HG2 H -2.284 5.923 -1.211 1.00 . A A . 49 GLN HG2 1 1 2 1665 1 1 49 GLN HG3 H -3.985 6.061 -0.674 1.00 . A A . 49 GLN HG3 1 1 2 1666 1 1 49 GLN N N -4.252 5.784 2.245 1.00 . A A . 49 GLN N 1 1 2 1667 1 1 49 GLN NE2 N -4.139 8.686 -0.882 1.00 . A A . 49 GLN NE2 1 1 2 1668 1 1 49 GLN O O -2.035 6.535 3.769 1.00 . A A . 49 GLN O 1 1 2 1669 1 1 49 GLN OE1 O -2.259 8.346 -2.099 1.00 . A A . 49 GLN OE1 1 1 2 1670 1 1 50 CYS C C 1.150 6.129 2.778 1.00 . A A . 50 CYS C 1 1 2 1671 1 1 50 CYS CA C 0.354 5.074 3.522 1.00 . A A . 50 CYS CA 1 1 2 1672 1 1 50 CYS CB C 1.220 3.795 3.595 1.00 . A A . 50 CYS CB 1 1 2 1673 1 1 50 CYS H H -0.943 4.072 2.195 1.00 . A A . 50 CYS H 1 1 2 1674 1 1 50 CYS HA H 0.163 5.459 4.516 1.00 . A A . 50 CYS HA 1 1 2 1675 1 1 50 CYS HB2 H 1.273 3.326 2.591 1.00 . A A . 50 CYS HB2 1 1 2 1676 1 1 50 CYS HB3 H 2.266 4.055 3.860 1.00 . A A . 50 CYS HB3 1 1 2 1677 1 1 50 CYS N N -0.902 4.824 2.843 1.00 . A A . 50 CYS N 1 1 2 1678 1 1 50 CYS O O 1.843 5.832 1.810 1.00 . A A . 50 CYS O 1 1 2 1679 1 1 50 CYS SG S 0.593 2.589 4.799 1.00 . A A . 50 CYS SG 1 1 2 1680 1 1 51 TYR C C 3.383 8.347 3.251 1.00 . A A . 51 TYR C 1 1 2 1681 1 1 51 TYR CA C 1.893 8.553 2.966 1.00 . A A . 51 TYR CA 1 1 2 1682 1 1 51 TYR CB C 1.336 9.832 3.659 1.00 . A A . 51 TYR CB 1 1 2 1683 1 1 51 TYR CD1 C -0.774 10.040 2.258 1.00 . A A . 51 TYR CD1 1 1 2 1684 1 1 51 TYR CD2 C 0.862 11.810 2.144 1.00 . A A . 51 TYR CD2 1 1 2 1685 1 1 51 TYR CE1 C -1.560 10.708 1.312 1.00 . A A . 51 TYR CE1 1 1 2 1686 1 1 51 TYR CE2 C 0.090 12.463 1.183 1.00 . A A . 51 TYR CE2 1 1 2 1687 1 1 51 TYR CG C 0.451 10.581 2.692 1.00 . A A . 51 TYR CG 1 1 2 1688 1 1 51 TYR CZ C -1.121 11.916 0.763 1.00 . A A . 51 TYR CZ 1 1 2 1689 1 1 51 TYR H H 0.435 7.512 3.996 1.00 . A A . 51 TYR H 1 1 2 1690 1 1 51 TYR HA H 1.867 8.701 1.894 1.00 . A A . 51 TYR HA 1 1 2 1691 1 1 51 TYR HB2 H 0.743 9.575 4.560 1.00 . A A . 51 TYR HB2 1 1 2 1692 1 1 51 TYR HB3 H 2.142 10.509 4.005 1.00 . A A . 51 TYR HB3 1 1 2 1693 1 1 51 TYR HD1 H -1.139 9.103 2.643 1.00 . A A . 51 TYR HD1 1 1 2 1694 1 1 51 TYR HD2 H 1.790 12.284 2.418 1.00 . A A . 51 TYR HD2 1 1 2 1695 1 1 51 TYR HE1 H -2.498 10.272 1.015 1.00 . A A . 51 TYR HE1 1 1 2 1696 1 1 51 TYR HE2 H 0.466 13.388 0.782 1.00 . A A . 51 TYR HE2 1 1 2 1697 1 1 51 TYR HH H -1.351 13.337 -0.534 1.00 . A A . 51 TYR HH 1 1 2 1698 1 1 51 TYR N N 1.030 7.398 3.210 1.00 . A A . 51 TYR N 1 1 2 1699 1 1 51 TYR O O 4.029 9.129 3.947 1.00 . A A . 51 TYR O 1 1 2 1700 1 1 51 TYR OH O -1.879 12.575 -0.223 1.00 . A A . 51 TYR OH 1 1 2 1701 1 1 52 ASP C C 5.878 5.879 2.117 1.00 . A A . 52 ASP C 1 1 2 1702 1 1 52 ASP CA C 5.263 6.789 3.167 1.00 . A A . 52 ASP CA 1 1 2 1703 1 1 52 ASP CB C 5.027 5.978 4.463 1.00 . A A . 52 ASP CB 1 1 2 1704 1 1 52 ASP CG C 6.311 5.564 5.142 1.00 . A A . 52 ASP CG 1 1 2 1705 1 1 52 ASP H H 3.376 6.627 2.240 1.00 . A A . 52 ASP H 1 1 2 1706 1 1 52 ASP HA H 5.939 7.626 3.313 1.00 . A A . 52 ASP HA 1 1 2 1707 1 1 52 ASP HB2 H 4.463 6.602 5.186 1.00 . A A . 52 ASP HB2 1 1 2 1708 1 1 52 ASP HB3 H 4.403 5.095 4.218 1.00 . A A . 52 ASP HB3 1 1 2 1709 1 1 52 ASP HD2 H 6.903 4.363 6.529 1.00 . A A . 52 ASP HD2 1 1 2 1710 1 1 52 ASP N N 3.964 7.256 2.756 1.00 . A A . 52 ASP N 1 1 2 1711 1 1 52 ASP O O 5.186 5.158 1.407 1.00 . A A . 52 ASP O 1 1 2 1712 1 1 52 ASP OD1 O 7.410 6.037 4.957 1.00 . A A . 52 ASP OD1 1 1 2 1713 1 1 52 ASP OD2 O 6.079 4.562 6.041 1.00 . A A . 52 ASP OD2 1 1 2 1714 1 1 53 THR C C 8.936 4.194 2.147 1.00 . A A . 53 THR C 1 1 2 1715 1 1 53 THR CA C 8.007 4.970 1.236 1.00 . A A . 53 THR CA 1 1 2 1716 1 1 53 THR CB C 8.865 5.713 0.223 1.00 . A A . 53 THR CB 1 1 2 1717 1 1 53 THR CG2 C 9.437 4.720 -0.785 1.00 . A A . 53 THR CG2 1 1 2 1718 1 1 53 THR H H 7.751 6.467 2.647 1.00 . A A . 53 THR H 1 1 2 1719 1 1 53 THR HA H 7.363 4.275 0.733 1.00 . A A . 53 THR HA 1 1 2 1720 1 1 53 THR HB H 9.680 6.284 0.723 1.00 . A A . 53 THR HB 1 1 2 1721 1 1 53 THR HG1 H 8.728 7.036 -1.155 1.00 . A A . 53 THR HG1 1 1 2 1722 1 1 53 THR HG21 H 10.076 3.978 -0.272 1.00 . A A . 53 THR HG21 1 1 2 1723 1 1 53 THR HG22 H 10.055 5.258 -1.534 1.00 . A A . 53 THR HG22 1 1 2 1724 1 1 53 THR HG23 H 8.625 4.179 -1.311 1.00 . A A . 53 THR HG23 1 1 2 1725 1 1 53 THR N N 7.219 5.867 2.054 1.00 . A A . 53 THR N 1 1 2 1726 1 1 53 THR O O 9.874 4.770 2.694 1.00 . A A . 53 THR O 1 1 2 1727 1 1 53 THR OG1 O 8.091 6.636 -0.528 1.00 . A A . 53 THR OG1 1 1 2 1728 1 1 54 HIS C C 9.794 0.660 2.848 1.00 . A A . 54 HIS C 1 1 2 1729 1 1 54 HIS CA C 9.657 2.124 3.220 1.00 . A A . 54 HIS CA 1 1 2 1730 1 1 54 HIS CB C 9.480 2.298 4.743 1.00 . A A . 54 HIS CB 1 1 2 1731 1 1 54 HIS CD2 C 11.774 1.424 5.641 1.00 . A A . 54 HIS CD2 1 1 2 1732 1 1 54 HIS CE1 C 12.503 3.343 6.389 1.00 . A A . 54 HIS CE1 1 1 2 1733 1 1 54 HIS CG C 10.808 2.350 5.440 1.00 . A A . 54 HIS CG 1 1 2 1734 1 1 54 HIS H H 7.987 2.384 1.956 1.00 . A A . 54 HIS H 1 1 2 1735 1 1 54 HIS HA H 10.631 2.516 2.968 1.00 . A A . 54 HIS HA 1 1 2 1736 1 1 54 HIS HB2 H 9.021 3.295 4.931 1.00 . A A . 54 HIS HB2 1 1 2 1737 1 1 54 HIS HB3 H 8.810 1.534 5.190 1.00 . A A . 54 HIS HB3 1 1 2 1738 1 1 54 HIS HD1 H 10.804 4.410 5.881 1.00 . A A . 54 HIS HD1 1 1 2 1739 1 1 54 HIS HD2 H 11.794 0.373 5.385 1.00 . A A . 54 HIS HD2 1 1 2 1740 1 1 54 HIS HE1 H 13.100 4.116 6.821 1.00 . A A . 54 HIS HE1 1 1 2 1741 1 1 54 HIS HE2 H 13.691 1.641 6.514 1.00 . A A . 54 HIS HE2 1 1 2 1742 1 1 54 HIS N N 8.711 2.890 2.420 1.00 . A A . 54 HIS N 1 1 2 1743 1 1 54 HIS ND1 N 11.293 3.538 5.904 1.00 . A A . 54 HIS ND1 1 1 2 1744 1 1 54 HIS NE2 N 12.825 2.067 6.238 1.00 . A A . 54 HIS NE2 1 1 2 1745 1 1 54 HIS O O 10.845 0.194 2.415 1.00 . A A . 54 HIS O 1 1 2 1746 1 1 55 LYS C C 8.648 -1.923 1.381 1.00 . A A . 55 LYS C 1 1 2 1747 1 1 55 LYS CA C 8.714 -1.561 2.856 1.00 . A A . 55 LYS CA 1 1 2 1748 1 1 55 LYS CB C 7.516 -2.219 3.595 1.00 . A A . 55 LYS CB 1 1 2 1749 1 1 55 LYS CD C 8.163 -1.555 6.020 1.00 . A A . 55 LYS CD 1 1 2 1750 1 1 55 LYS CE C 8.387 -2.044 7.460 1.00 . A A . 55 LYS CE 1 1 2 1751 1 1 55 LYS CG C 7.786 -2.676 5.040 1.00 . A A . 55 LYS CG 1 1 2 1752 1 1 55 LYS H H 7.856 0.242 3.383 1.00 . A A . 55 LYS H 1 1 2 1753 1 1 55 LYS HA H 9.642 -1.955 3.234 1.00 . A A . 55 LYS HA 1 1 2 1754 1 1 55 LYS HB2 H 6.665 -1.510 3.582 1.00 . A A . 55 LYS HB2 1 1 2 1755 1 1 55 LYS HB3 H 7.163 -3.130 3.065 1.00 . A A . 55 LYS HB3 1 1 2 1756 1 1 55 LYS HD2 H 9.114 -1.093 5.675 1.00 . A A . 55 LYS HD2 1 1 2 1757 1 1 55 LYS HD3 H 7.378 -0.768 6.017 1.00 . A A . 55 LYS HD3 1 1 2 1758 1 1 55 LYS HE2 H 9.115 -2.882 7.474 1.00 . A A . 55 LYS HE2 1 1 2 1759 1 1 55 LYS HE3 H 8.777 -1.214 8.087 1.00 . A A . 55 LYS HE3 1 1 2 1760 1 1 55 LYS HG2 H 6.857 -3.172 5.401 1.00 . A A . 55 LYS HG2 1 1 2 1761 1 1 55 LYS HG3 H 8.589 -3.446 5.038 1.00 . A A . 55 LYS HG3 1 1 2 1762 1 1 55 LYS HZ1 H 6.755 -3.324 7.526 1.00 . A A . 55 LYS HZ1 1 1 2 1763 1 1 55 LYS HZ2 H 6.422 -1.744 8.053 1.00 . A A . 55 LYS HZ2 1 1 2 1764 1 1 55 LYS HZ3 H 7.290 -2.809 9.055 1.00 . A A . 55 LYS HZ3 1 1 2 1765 1 1 55 LYS N N 8.723 -0.129 3.065 1.00 . A A . 55 LYS N 1 1 2 1766 1 1 55 LYS NZ N 7.122 -2.515 8.069 1.00 . A A . 55 LYS NZ 1 1 2 1767 1 1 55 LYS O O 8.526 -1.073 0.502 1.00 . A A . 55 LYS O 1 1 2 1768 1 1 56 PHE C C 7.189 -3.851 -0.768 1.00 . A A . 56 PHE C 1 1 2 1769 1 1 56 PHE CA C 8.636 -3.763 -0.265 1.00 . A A . 56 PHE CA 1 1 2 1770 1 1 56 PHE CB C 9.383 -5.117 -0.342 1.00 . A A . 56 PHE CB 1 1 2 1771 1 1 56 PHE CD1 C 9.327 -6.222 1.935 1.00 . A A . 56 PHE CD1 1 1 2 1772 1 1 56 PHE CD2 C 7.917 -7.094 0.168 1.00 . A A . 56 PHE CD2 1 1 2 1773 1 1 56 PHE CE1 C 8.894 -7.241 2.787 1.00 . A A . 56 PHE CE1 1 1 2 1774 1 1 56 PHE CE2 C 7.490 -8.118 1.014 1.00 . A A . 56 PHE CE2 1 1 2 1775 1 1 56 PHE CG C 8.853 -6.146 0.613 1.00 . A A . 56 PHE CG 1 1 2 1776 1 1 56 PHE CZ C 7.983 -8.195 2.321 1.00 . A A . 56 PHE CZ 1 1 2 1777 1 1 56 PHE H H 8.746 -3.909 1.804 1.00 . A A . 56 PHE H 1 1 2 1778 1 1 56 PHE HA H 9.161 -3.086 -0.923 1.00 . A A . 56 PHE HA 1 1 2 1779 1 1 56 PHE HB2 H 9.344 -5.537 -1.363 1.00 . A A . 56 PHE HB2 1 1 2 1780 1 1 56 PHE HB3 H 10.460 -4.961 -0.114 1.00 . A A . 56 PHE HB3 1 1 2 1781 1 1 56 PHE HD1 H 10.045 -5.506 2.307 1.00 . A A . 56 PHE HD1 1 1 2 1782 1 1 56 PHE HD2 H 7.539 -7.058 -0.845 1.00 . A A . 56 PHE HD2 1 1 2 1783 1 1 56 PHE HE1 H 9.275 -7.291 3.797 1.00 . A A . 56 PHE HE1 1 1 2 1784 1 1 56 PHE HE2 H 6.784 -8.850 0.649 1.00 . A A . 56 PHE HE2 1 1 2 1785 1 1 56 PHE HZ H 7.654 -8.988 2.974 1.00 . A A . 56 PHE HZ 1 1 2 1786 1 1 56 PHE N N 8.706 -3.228 1.078 1.00 . A A . 56 PHE N 1 1 2 1787 1 1 56 PHE O O 6.239 -3.517 -0.057 1.00 . A A . 56 PHE O 1 1 2 1788 1 1 57 CYS C C 5.033 -5.739 -2.241 1.00 . A A . 57 CYS C 1 1 2 1789 1 1 57 CYS CA C 5.622 -4.383 -2.568 1.00 . A A . 57 CYS CA 1 1 2 1790 1 1 57 CYS CB C 5.590 -4.104 -4.096 1.00 . A A . 57 CYS CB 1 1 2 1791 1 1 57 CYS H H 7.709 -4.563 -2.633 1.00 . A A . 57 CYS H 1 1 2 1792 1 1 57 CYS HA H 4.997 -3.639 -2.097 1.00 . A A . 57 CYS HA 1 1 2 1793 1 1 57 CYS HB2 H 6.109 -3.137 -4.256 1.00 . A A . 57 CYS HB2 1 1 2 1794 1 1 57 CYS HB3 H 6.181 -4.884 -4.623 1.00 . A A . 57 CYS HB3 1 1 2 1795 1 1 57 CYS N N 6.962 -4.272 -2.027 1.00 . A A . 57 CYS N 1 1 2 1796 1 1 57 CYS O O 5.458 -6.778 -2.739 1.00 . A A . 57 CYS O 1 1 2 1797 1 1 57 CYS SG S 3.918 -4.001 -4.823 1.00 . A A . 57 CYS SG 1 1 2 1798 1 1 58 TYR C C 2.402 -7.527 -1.891 1.00 . A A . 58 TYR C 1 1 2 1799 1 1 58 TYR CA C 3.373 -6.955 -0.884 1.00 . A A . 58 TYR CA 1 1 2 1800 1 1 58 TYR CB C 2.600 -6.692 0.432 1.00 . A A . 58 TYR CB 1 1 2 1801 1 1 58 TYR CD1 C 4.005 -7.801 2.207 1.00 . A A . 58 TYR CD1 1 1 2 1802 1 1 58 TYR CD2 C 4.025 -5.386 2.084 1.00 . A A . 58 TYR CD2 1 1 2 1803 1 1 58 TYR CE1 C 4.873 -7.754 3.303 1.00 . A A . 58 TYR CE1 1 1 2 1804 1 1 58 TYR CE2 C 4.917 -5.344 3.160 1.00 . A A . 58 TYR CE2 1 1 2 1805 1 1 58 TYR CG C 3.562 -6.618 1.587 1.00 . A A . 58 TYR CG 1 1 2 1806 1 1 58 TYR CZ C 5.342 -6.525 3.772 1.00 . A A . 58 TYR CZ 1 1 2 1807 1 1 58 TYR H H 3.740 -4.884 -0.964 1.00 . A A . 58 TYR H 1 1 2 1808 1 1 58 TYR HA H 4.120 -7.723 -0.708 1.00 . A A . 58 TYR HA 1 1 2 1809 1 1 58 TYR HB2 H 2.022 -5.749 0.366 1.00 . A A . 58 TYR HB2 1 1 2 1810 1 1 58 TYR HB3 H 1.869 -7.498 0.657 1.00 . A A . 58 TYR HB3 1 1 2 1811 1 1 58 TYR HD1 H 3.679 -8.772 1.870 1.00 . A A . 58 TYR HD1 1 1 2 1812 1 1 58 TYR HD2 H 3.698 -4.446 1.674 1.00 . A A . 58 TYR HD2 1 1 2 1813 1 1 58 TYR HE1 H 5.176 -8.685 3.752 1.00 . A A . 58 TYR HE1 1 1 2 1814 1 1 58 TYR HE2 H 5.255 -4.385 3.514 1.00 . A A . 58 TYR HE2 1 1 2 1815 1 1 58 TYR HH H 6.545 -7.372 5.035 1.00 . A A . 58 TYR HH 1 1 2 1816 1 1 58 TYR N N 4.025 -5.748 -1.360 1.00 . A A . 58 TYR N 1 1 2 1817 1 1 58 TYR O O 2.024 -6.892 -2.872 1.00 . A A . 58 TYR O 1 1 2 1818 1 1 58 TYR OH O 6.247 -6.460 4.848 1.00 . A A . 58 TYR OH 1 1 2 1819 1 1 59 LYS C C -0.350 -8.815 -2.513 1.00 . A A . 59 LYS C 1 1 2 1820 1 1 59 LYS CA C 0.986 -9.528 -2.364 1.00 . A A . 59 LYS CA 1 1 2 1821 1 1 59 LYS CB C 0.798 -10.925 -1.744 1.00 . A A . 59 LYS CB 1 1 2 1822 1 1 59 LYS CD C 2.033 -13.040 -0.995 1.00 . A A . 59 LYS CD 1 1 2 1823 1 1 59 LYS CE C 3.412 -13.704 -0.956 1.00 . A A . 59 LYS CE 1 1 2 1824 1 1 59 LYS CG C 2.049 -11.804 -1.899 1.00 . A A . 59 LYS CG 1 1 2 1825 1 1 59 LYS H H 2.370 -9.252 -0.861 1.00 . A A . 59 LYS H 1 1 2 1826 1 1 59 LYS HA H 1.354 -9.667 -3.365 1.00 . A A . 59 LYS HA 1 1 2 1827 1 1 59 LYS HB2 H 0.553 -10.800 -0.666 1.00 . A A . 59 LYS HB2 1 1 2 1828 1 1 59 LYS HB3 H -0.065 -11.438 -2.226 1.00 . A A . 59 LYS HB3 1 1 2 1829 1 1 59 LYS HD2 H 1.763 -12.729 0.041 1.00 . A A . 59 LYS HD2 1 1 2 1830 1 1 59 LYS HD3 H 1.264 -13.762 -1.347 1.00 . A A . 59 LYS HD3 1 1 2 1831 1 1 59 LYS HE2 H 3.692 -14.090 -1.959 1.00 . A A . 59 LYS HE2 1 1 2 1832 1 1 59 LYS HE3 H 4.177 -12.973 -0.617 1.00 . A A . 59 LYS HE3 1 1 2 1833 1 1 59 LYS HG2 H 2.169 -12.119 -2.959 1.00 . A A . 59 LYS HG2 1 1 2 1834 1 1 59 LYS HG3 H 2.966 -11.230 -1.641 1.00 . A A . 59 LYS HG3 1 1 2 1835 1 1 59 LYS HZ1 H 4.370 -15.246 0.038 1.00 . A A . 59 LYS HZ1 1 1 2 1836 1 1 59 LYS HZ2 H 2.737 -15.557 -0.318 1.00 . A A . 59 LYS HZ2 1 1 2 1837 1 1 59 LYS HZ3 H 3.150 -14.488 0.938 1.00 . A A . 59 LYS HZ3 1 1 2 1838 1 1 59 LYS N N 2.014 -8.790 -1.661 1.00 . A A . 59 LYS N 1 1 2 1839 1 1 59 LYS NZ N 3.416 -14.832 -0.009 1.00 . A A . 59 LYS NZ 1 1 2 1840 1 1 59 LYS O O -0.729 -7.945 -1.724 1.00 . A A . 59 LYS O 1 1 2 1841 1 1 60 ALA C C -3.459 -9.002 -2.820 1.00 . A A . 60 ALA C 1 1 2 1842 1 1 60 ALA CA C -2.404 -8.624 -3.834 1.00 . A A . 60 ALA CA 1 1 2 1843 1 1 60 ALA CB C -2.866 -8.994 -5.248 1.00 . A A . 60 ALA CB 1 1 2 1844 1 1 60 ALA H H -0.769 -9.853 -4.224 1.00 . A A . 60 ALA H 1 1 2 1845 1 1 60 ALA HA H -2.292 -7.550 -3.767 1.00 . A A . 60 ALA HA 1 1 2 1846 1 1 60 ALA HB1 H -2.037 -8.792 -5.963 1.00 . A A . 60 ALA HB1 1 1 2 1847 1 1 60 ALA HB2 H -3.751 -8.398 -5.553 1.00 . A A . 60 ALA HB2 1 1 2 1848 1 1 60 ALA HB3 H -3.115 -10.077 -5.297 1.00 . A A . 60 ALA HB3 1 1 2 1849 1 1 60 ALA N N -1.110 -9.192 -3.559 1.00 . A A . 60 ALA N 1 1 2 1850 1 1 60 ALA O O -3.396 -10.031 -2.157 1.00 . A A . 60 ALA O 1 1 2 1851 1 1 61 CYS C C -6.751 -8.377 -1.899 1.00 . A A . 61 CYS C 1 1 2 1852 1 1 61 CYS CA C -5.318 -8.112 -1.504 1.00 . A A . 61 CYS CA 1 1 2 1853 1 1 61 CYS CB C -5.202 -6.741 -0.826 1.00 . A A . 61 CYS CB 1 1 2 1854 1 1 61 CYS H H -4.447 -7.311 -3.245 1.00 . A A . 61 CYS H 1 1 2 1855 1 1 61 CYS HA H -5.015 -8.892 -0.818 1.00 . A A . 61 CYS HA 1 1 2 1856 1 1 61 CYS HB2 H -4.167 -6.383 -1.025 1.00 . A A . 61 CYS HB2 1 1 2 1857 1 1 61 CYS HB3 H -5.878 -5.997 -1.295 1.00 . A A . 61 CYS HB3 1 1 2 1858 1 1 61 CYS N N -4.444 -8.115 -2.655 1.00 . A A . 61 CYS N 1 1 2 1859 1 1 61 CYS O O -7.681 -7.642 -1.566 1.00 . A A . 61 CYS O 1 1 2 1860 1 1 61 CYS SG S -5.434 -6.813 0.971 1.00 . A A . 61 CYS SG 1 1 2 1861 1 1 62 HIS C C -8.876 -10.891 -2.208 1.00 . A A . 62 HIS C 1 1 2 1862 1 1 62 HIS CA C -8.287 -9.835 -3.120 1.00 . A A . 62 HIS CA 1 1 2 1863 1 1 62 HIS CB C -8.257 -10.363 -4.560 1.00 . A A . 62 HIS CB 1 1 2 1864 1 1 62 HIS CD2 C -6.935 -8.262 -5.384 1.00 . A A . 62 HIS CD2 1 1 2 1865 1 1 62 HIS CE1 C -7.180 -8.627 -7.523 1.00 . A A . 62 HIS CE1 1 1 2 1866 1 1 62 HIS CG C -7.678 -9.388 -5.541 1.00 . A A . 62 HIS CG 1 1 2 1867 1 1 62 HIS H H -6.199 -10.047 -2.899 1.00 . A A . 62 HIS H 1 1 2 1868 1 1 62 HIS HA H -8.942 -8.975 -3.128 1.00 . A A . 62 HIS HA 1 1 2 1869 1 1 62 HIS HB2 H -7.674 -11.306 -4.613 1.00 . A A . 62 HIS HB2 1 1 2 1870 1 1 62 HIS HB3 H -9.295 -10.590 -4.872 1.00 . A A . 62 HIS HB3 1 1 2 1871 1 1 62 HIS HD1 H -8.323 -10.342 -7.309 1.00 . A A . 62 HIS HD1 1 1 2 1872 1 1 62 HIS HD2 H -6.599 -7.765 -4.479 1.00 . A A . 62 HIS HD2 1 1 2 1873 1 1 62 HIS HE1 H -7.150 -8.524 -8.586 1.00 . A A . 62 HIS HE1 1 1 2 1874 1 1 62 HIS HE2 H -6.097 -6.987 -6.855 1.00 . A A . 62 HIS HE2 1 1 2 1875 1 1 62 HIS N N -6.969 -9.457 -2.656 1.00 . A A . 62 HIS N 1 1 2 1876 1 1 62 HIS ND1 N -7.816 -9.592 -6.882 1.00 . A A . 62 HIS ND1 1 1 2 1877 1 1 62 HIS NE2 N -6.635 -7.804 -6.637 1.00 . A A . 62 HIS NE2 1 1 2 1878 1 1 62 HIS O O -8.728 -12.090 -2.433 1.00 . A A . 62 HIS O 1 1 2 1879 1 1 63 ASN C C -11.272 -12.128 -0.582 1.00 . A A . 63 ASN C 1 1 2 1880 1 1 63 ASN CA C -10.120 -11.261 -0.091 1.00 . A A . 63 ASN CA 1 1 2 1881 1 1 63 ASN CB C -10.419 -10.428 1.190 1.00 . A A . 63 ASN CB 1 1 2 1882 1 1 63 ASN CG C -11.133 -9.108 0.887 1.00 . A A . 63 ASN CG 1 1 2 1883 1 1 63 ASN H H -9.702 -9.480 -1.015 1.00 . A A . 63 ASN H 1 1 2 1884 1 1 63 ASN HA H -9.365 -11.967 0.193 1.00 . A A . 63 ASN HA 1 1 2 1885 1 1 63 ASN HB2 H -11.045 -11.017 1.887 1.00 . A A . 63 ASN HB2 1 1 2 1886 1 1 63 ASN HB3 H -9.466 -10.236 1.714 1.00 . A A . 63 ASN HB3 1 1 2 1887 1 1 63 ASN HD21 H -9.433 -7.926 0.920 1.00 . A A . 63 ASN HD21 1 1 2 1888 1 1 63 ASN HD22 H -10.889 -7.113 0.615 1.00 . A A . 63 ASN HD22 1 1 2 1889 1 1 63 ASN N N -9.521 -10.448 -1.117 1.00 . A A . 63 ASN N 1 1 2 1890 1 1 63 ASN ND2 N -10.404 -7.979 0.724 1.00 . A A . 63 ASN ND2 1 1 2 1891 1 1 63 ASN O O -11.086 -13.257 -1.040 1.00 . A A . 63 ASN O 1 1 2 1892 1 1 63 ASN OD1 O -12.358 -9.121 0.777 1.00 . A A . 63 ASN OD1 1 1 2 1893 1 1 64 SER C C -14.326 -11.392 -2.089 1.00 . A A . 64 SER C 1 1 2 1894 1 1 64 SER CA C -13.696 -12.246 -1.006 1.00 . A A . 64 SER CA 1 1 2 1895 1 1 64 SER CB C -14.702 -12.583 0.120 1.00 . A A . 64 SER CB 1 1 2 1896 1 1 64 SER H H -12.580 -10.667 -0.138 1.00 . A A . 64 SER H 1 1 2 1897 1 1 64 SER HA H -13.422 -13.173 -1.476 1.00 . A A . 64 SER HA 1 1 2 1898 1 1 64 SER HB2 H -14.125 -12.991 0.983 1.00 . A A . 64 SER HB2 1 1 2 1899 1 1 64 SER HB3 H -15.213 -11.655 0.464 1.00 . A A . 64 SER HB3 1 1 2 1900 1 1 64 SER HG H -16.074 -13.922 0.515 1.00 . A A . 64 SER HG 1 1 2 1901 1 1 64 SER N N -12.499 -11.604 -0.502 1.00 . A A . 64 SER N 1 1 2 1902 1 1 64 SER O O -13.788 -10.368 -2.503 1.00 . A A . 64 SER O 1 1 2 1903 1 1 64 SER OG O -15.642 -13.581 -0.304 1.00 . A A . 64 SER OG 1 1 2 1904 1 1 65 GLU C C -16.695 -9.744 -3.213 1.00 . A A . 65 GLU C 1 1 2 1905 1 1 65 GLU CA C -16.257 -11.137 -3.628 1.00 . A A . 65 GLU CA 1 1 2 1906 1 1 65 GLU CB C -17.422 -12.003 -4.189 1.00 . A A . 65 GLU CB 1 1 2 1907 1 1 65 GLU CD C -19.611 -13.271 -3.805 1.00 . A A . 65 GLU CD 1 1 2 1908 1 1 65 GLU CG C -18.665 -12.196 -3.282 1.00 . A A . 65 GLU CG 1 1 2 1909 1 1 65 GLU H H -15.840 -12.698 -2.292 1.00 . A A . 65 GLU H 1 1 2 1910 1 1 65 GLU HA H -15.580 -10.963 -4.445 1.00 . A A . 65 GLU HA 1 1 2 1911 1 1 65 GLU HB2 H -17.749 -11.558 -5.155 1.00 . A A . 65 GLU HB2 1 1 2 1912 1 1 65 GLU HB3 H -16.990 -12.995 -4.435 1.00 . A A . 65 GLU HB3 1 1 2 1913 1 1 65 GLU HE2 H -20.533 -13.782 -5.424 1.00 . A A . 65 GLU HE2 1 1 2 1914 1 1 65 GLU HG2 H -18.374 -12.509 -2.258 1.00 . A A . 65 GLU HG2 1 1 2 1915 1 1 65 GLU HG3 H -19.225 -11.240 -3.207 1.00 . A A . 65 GLU HG3 1 1 2 1916 1 1 65 GLU N N -15.469 -11.842 -2.636 1.00 . A A . 65 GLU N 1 1 2 1917 1 1 65 GLU O O -16.511 -8.755 -3.921 1.00 . A A . 65 GLU O 1 1 2 1918 1 1 65 GLU OE1 O -19.908 -14.299 -3.219 1.00 . A A . 65 GLU OE1 1 1 2 1919 1 1 65 GLU OE2 O -20.107 -12.991 -5.053 1.00 . A A . 65 GLU OE2 1 1 2 1920 1 1 66 ILE C C -16.594 -7.685 -0.710 1.00 . A A . 66 ILE C 1 1 2 1921 1 1 66 ILE CA C -17.728 -8.415 -1.411 1.00 . A A . 66 ILE CA 1 1 2 1922 1 1 66 ILE CB C -18.927 -8.623 -0.507 1.00 . A A . 66 ILE CB 1 1 2 1923 1 1 66 ILE CD1 C -21.056 -7.481 0.340 1.00 . A A . 66 ILE CD1 1 1 2 1924 1 1 66 ILE CG1 C -19.650 -7.294 -0.228 1.00 . A A . 66 ILE CG1 1 1 2 1925 1 1 66 ILE CG2 C -18.524 -9.347 0.789 1.00 . A A . 66 ILE CG2 1 1 2 1926 1 1 66 ILE H H -17.406 -10.482 -1.489 1.00 . A A . 66 ILE H 1 1 2 1927 1 1 66 ILE HA H -18.081 -7.778 -2.201 1.00 . A A . 66 ILE HA 1 1 2 1928 1 1 66 ILE HB H -19.642 -9.259 -1.079 1.00 . A A . 66 ILE HB 1 1 2 1929 1 1 66 ILE HD11 H -21.563 -6.499 0.450 1.00 . A A . 66 ILE HD11 1 1 2 1930 1 1 66 ILE HD12 H -21.024 -7.969 1.338 1.00 . A A . 66 ILE HD12 1 1 2 1931 1 1 66 ILE HD13 H -21.672 -8.110 -0.337 1.00 . A A . 66 ILE HD13 1 1 2 1932 1 1 66 ILE HG12 H -19.039 -6.687 0.475 1.00 . A A . 66 ILE HG12 1 1 2 1933 1 1 66 ILE HG13 H -19.723 -6.743 -1.191 1.00 . A A . 66 ILE HG13 1 1 2 1934 1 1 66 ILE HG21 H -18.028 -10.317 0.579 1.00 . A A . 66 ILE HG21 1 1 2 1935 1 1 66 ILE HG22 H -19.428 -9.535 1.397 1.00 . A A . 66 ILE HG22 1 1 2 1936 1 1 66 ILE HG23 H -17.836 -8.723 1.398 1.00 . A A . 66 ILE HG23 1 1 2 1937 1 1 66 ILE N N -17.294 -9.651 -2.017 1.00 . A A . 66 ILE N 1 1 2 1938 1 1 66 ILE O O -15.705 -8.292 -0.120 1.00 . A A . 66 ILE O 1 1 2 1939 1 1 67 GLU C C -15.895 -4.589 0.956 1.00 . A A . 67 GLU C 1 1 2 1940 1 1 67 GLU CA C -15.442 -5.546 -0.165 1.00 . A A . 67 GLU CA 1 1 2 1941 1 1 67 GLU CB C -14.744 -4.671 -1.243 1.00 . A A . 67 GLU CB 1 1 2 1942 1 1 67 GLU CD C -15.559 -2.170 -1.189 1.00 . A A . 67 GLU CD 1 1 2 1943 1 1 67 GLU CG C -15.606 -3.548 -1.886 1.00 . A A . 67 GLU CG 1 1 2 1944 1 1 67 GLU H H -17.275 -5.770 -1.111 1.00 . A A . 67 GLU H 1 1 2 1945 1 1 67 GLU HA H -14.707 -6.209 0.270 1.00 . A A . 67 GLU HA 1 1 2 1946 1 1 67 GLU HB2 H -13.813 -4.232 -0.819 1.00 . A A . 67 GLU HB2 1 1 2 1947 1 1 67 GLU HB3 H -14.435 -5.366 -2.057 1.00 . A A . 67 GLU HB3 1 1 2 1948 1 1 67 GLU HE2 H -16.766 -2.852 0.236 1.00 . A A . 67 GLU HE2 1 1 2 1949 1 1 67 GLU HG2 H -15.206 -3.366 -2.908 1.00 . A A . 67 GLU HG2 1 1 2 1950 1 1 67 GLU HG3 H -16.660 -3.868 -1.991 1.00 . A A . 67 GLU HG3 1 1 2 1951 1 1 67 GLU N N -16.544 -6.327 -0.737 1.00 . A A . 67 GLU N 1 1 2 1952 1 1 67 GLU O O -15.036 -4.150 1.774 1.00 . A A . 67 GLU O 1 1 2 1953 1 1 67 GLU OXT O -17.087 -4.168 0.916 1.00 . A A . 67 GLU OXT 1 1 2 1954 1 1 67 GLU OE1 O -14.834 -1.250 -1.520 1.00 . A A . 67 GLU OE1 1 1 2 1955 1 1 67 GLU OE2 O -16.513 -1.994 -0.197 1.00 . A A . 67 GLU OE2 1 1 2 1956 2 2 1 CL CL CL 3.111 -13.798 3.270 1.00 . B A . 68 CL CL 1 1 2 1957 3 2 1 CL CL CL -1.114 -3.197 12.137 1.00 . C A . 69 CL CL 1 1 2 1958 4 2 1 CL CL CL -8.231 -0.176 8.582 1.00 . D A . 70 CL CL 1 1 2 1959 5 2 1 CL CL CL -6.040 -6.665 5.801 1.00 . E A . 71 CL CL 1 1 2 1960 6 2 1 CL CL CL -3.187 8.216 12.247 1.00 . F A . 72 CL CL 1 1 2 1961 7 2 1 CL CL CL 9.422 -5.547 -4.120 1.00 . G A . 73 CL CL 1 1 2 1962 8 2 1 CL CL CL -9.696 -2.123 -3.078 1.00 . H A . 74 CL CL 1 1 2 1963 9 2 1 CL CL CL 9.978 8.358 -2.555 1.00 . I A . 75 CL CL 1 1 2 1964 10 2 1 CL CL CL 8.453 4.046 7.959 1.00 . J A . 76 CL CL 1 1 2 1965 11 2 1 CL CL CL 1.151 14.968 4.476 1.00 . K A . 77 CL CL 1 1 2 1966 12 2 1 CL CL CL -0.897 -9.037 16.326 1.00 . L A . 78 CL CL 1 1 3 1967 1 1 1 GLY C C -5.664 -6.842 14.973 1.00 . A A . 1 GLY C 1 1 3 1968 1 1 1 GLY CA C -5.907 -6.434 13.553 1.00 . A A . 1 GLY CA 1 1 3 1969 1 1 1 GLY H1 H -7.170 -5.205 12.446 1.00 . A A . 1 GLY H1 1 1 3 1970 1 1 1 GLY H2 H -6.675 -4.540 13.933 1.00 . A A . 1 GLY H2 1 1 3 1971 1 1 1 GLY H3 H -7.842 -5.771 13.901 1.00 . A A . 1 GLY H3 1 1 3 1972 1 1 1 GLY HA2 H -6.232 -7.299 12.998 1.00 . A A . 1 GLY HA2 1 1 3 1973 1 1 1 GLY HA3 H -5.014 -5.981 13.155 1.00 . A A . 1 GLY HA3 1 1 3 1974 1 1 1 GLY N N -6.977 -5.410 13.448 1.00 . A A . 1 GLY N 1 1 3 1975 1 1 1 GLY O O -6.425 -6.531 15.885 1.00 . A A . 1 GLY O 1 1 3 1976 1 1 2 ASP C C -2.638 -8.218 16.517 1.00 . A A . 2 ASP C 1 1 3 1977 1 1 2 ASP CA C -4.139 -7.975 16.543 1.00 . A A . 2 ASP CA 1 1 3 1978 1 1 2 ASP CB C -4.834 -9.292 17.002 1.00 . A A . 2 ASP CB 1 1 3 1979 1 1 2 ASP CG C -6.281 -9.081 17.408 1.00 . A A . 2 ASP CG 1 1 3 1980 1 1 2 ASP H H -3.954 -7.783 14.451 1.00 . A A . 2 ASP H 1 1 3 1981 1 1 2 ASP HA H -4.303 -7.175 17.254 1.00 . A A . 2 ASP HA 1 1 3 1982 1 1 2 ASP HB2 H -4.806 -10.035 16.180 1.00 . A A . 2 ASP HB2 1 1 3 1983 1 1 2 ASP HB3 H -4.306 -9.720 17.880 1.00 . A A . 2 ASP HB3 1 1 3 1984 1 1 2 ASP HD2 H -5.563 -8.143 18.984 1.00 . A A . 2 ASP HD2 1 1 3 1985 1 1 2 ASP N N -4.542 -7.530 15.221 1.00 . A A . 2 ASP N 1 1 3 1986 1 1 2 ASP O O -2.149 -9.345 16.557 1.00 . A A . 2 ASP O 1 1 3 1987 1 1 2 ASP OD1 O -7.253 -9.502 16.808 1.00 . A A . 2 ASP OD1 1 1 3 1988 1 1 2 ASP OD2 O -6.417 -8.382 18.582 1.00 . A A . 2 ASP OD2 1 1 3 1989 1 1 3 ASP C C 0.384 -7.913 15.575 1.00 . A A . 3 ASP C 1 1 3 1990 1 1 3 ASP CA C -0.424 -7.041 16.523 1.00 . A A . 3 ASP CA 1 1 3 1991 1 1 3 ASP CB C 0.047 -7.201 17.983 1.00 . A A . 3 ASP CB 1 1 3 1992 1 1 3 ASP CG C -0.142 -5.899 18.723 1.00 . A A . 3 ASP CG 1 1 3 1993 1 1 3 ASP H H -2.343 -6.229 16.442 1.00 . A A . 3 ASP H 1 1 3 1994 1 1 3 ASP HA H -0.182 -6.055 16.165 1.00 . A A . 3 ASP HA 1 1 3 1995 1 1 3 ASP HB2 H -0.552 -8.001 18.461 1.00 . A A . 3 ASP HB2 1 1 3 1996 1 1 3 ASP HB3 H 1.124 -7.462 18.042 1.00 . A A . 3 ASP HB3 1 1 3 1997 1 1 3 ASP HD2 H 0.652 -6.818 20.238 1.00 . A A . 3 ASP HD2 1 1 3 1998 1 1 3 ASP N N -1.872 -7.115 16.447 1.00 . A A . 3 ASP N 1 1 3 1999 1 1 3 ASP O O 1.525 -8.286 15.842 1.00 . A A . 3 ASP O 1 1 3 2000 1 1 3 ASP OD1 O -0.622 -4.882 18.257 1.00 . A A . 3 ASP OD1 1 1 3 2001 1 1 3 ASP OD2 O 0.401 -5.913 19.984 1.00 . A A . 3 ASP OD2 1 1 3 2002 1 1 4 VAL C C 0.945 -7.565 12.351 1.00 . A A . 4 VAL C 1 1 3 2003 1 1 4 VAL CA C 0.577 -8.723 13.262 1.00 . A A . 4 VAL CA 1 1 3 2004 1 1 4 VAL CB C -0.226 -9.781 12.506 1.00 . A A . 4 VAL CB 1 1 3 2005 1 1 4 VAL CG1 C 0.633 -10.534 11.472 1.00 . A A . 4 VAL CG1 1 1 3 2006 1 1 4 VAL CG2 C -0.770 -10.807 13.516 1.00 . A A . 4 VAL CG2 1 1 3 2007 1 1 4 VAL H H -1.098 -7.882 14.225 1.00 . A A . 4 VAL H 1 1 3 2008 1 1 4 VAL HA H 1.489 -9.185 13.604 1.00 . A A . 4 VAL HA 1 1 3 2009 1 1 4 VAL HB H -1.078 -9.299 11.981 1.00 . A A . 4 VAL HB 1 1 3 2010 1 1 4 VAL HG11 H 1.476 -11.049 11.980 1.00 . A A . 4 VAL HG11 1 1 3 2011 1 1 4 VAL HG12 H 1.036 -9.874 10.681 1.00 . A A . 4 VAL HG12 1 1 3 2012 1 1 4 VAL HG13 H 0.017 -11.313 10.970 1.00 . A A . 4 VAL HG13 1 1 3 2013 1 1 4 VAL HG21 H -1.465 -10.346 14.245 1.00 . A A . 4 VAL HG21 1 1 3 2014 1 1 4 VAL HG22 H 0.063 -11.280 14.076 1.00 . A A . 4 VAL HG22 1 1 3 2015 1 1 4 VAL HG23 H -1.328 -11.605 12.985 1.00 . A A . 4 VAL HG23 1 1 3 2016 1 1 4 VAL N N -0.154 -8.162 14.384 1.00 . A A . 4 VAL N 1 1 3 2017 1 1 4 VAL O O 0.185 -6.607 12.199 1.00 . A A . 4 VAL O 1 1 3 2018 1 1 5 LYS C C 2.071 -7.059 9.326 1.00 . A A . 5 LYS C 1 1 3 2019 1 1 5 LYS CA C 2.566 -6.638 10.704 1.00 . A A . 5 LYS CA 1 1 3 2020 1 1 5 LYS CB C 4.097 -6.451 10.770 1.00 . A A . 5 LYS CB 1 1 3 2021 1 1 5 LYS CD C 4.408 -4.489 9.098 1.00 . A A . 5 LYS CD 1 1 3 2022 1 1 5 LYS CE C 5.087 -3.142 8.811 1.00 . A A . 5 LYS CE 1 1 3 2023 1 1 5 LYS CG C 4.602 -5.015 10.531 1.00 . A A . 5 LYS CG 1 1 3 2024 1 1 5 LYS H H 2.763 -8.345 11.886 1.00 . A A . 5 LYS H 1 1 3 2025 1 1 5 LYS HA H 2.093 -5.697 10.922 1.00 . A A . 5 LYS HA 1 1 3 2026 1 1 5 LYS HB2 H 4.415 -6.707 11.807 1.00 . A A . 5 LYS HB2 1 1 3 2027 1 1 5 LYS HB3 H 4.605 -7.168 10.091 1.00 . A A . 5 LYS HB3 1 1 3 2028 1 1 5 LYS HD2 H 4.797 -5.249 8.383 1.00 . A A . 5 LYS HD2 1 1 3 2029 1 1 5 LYS HD3 H 3.320 -4.376 8.893 1.00 . A A . 5 LYS HD3 1 1 3 2030 1 1 5 LYS HE2 H 4.837 -2.804 7.783 1.00 . A A . 5 LYS HE2 1 1 3 2031 1 1 5 LYS HE3 H 4.763 -2.371 9.541 1.00 . A A . 5 LYS HE3 1 1 3 2032 1 1 5 LYS HG2 H 4.092 -4.343 11.253 1.00 . A A . 5 LYS HG2 1 1 3 2033 1 1 5 LYS HG3 H 5.690 -5.012 10.776 1.00 . A A . 5 LYS HG3 1 1 3 2034 1 1 5 LYS HZ1 H 6.837 -3.543 9.854 1.00 . A A . 5 LYS HZ1 1 1 3 2035 1 1 5 LYS HZ2 H 6.995 -2.344 8.659 1.00 . A A . 5 LYS HZ2 1 1 3 2036 1 1 5 LYS HZ3 H 6.887 -3.981 8.214 1.00 . A A . 5 LYS HZ3 1 1 3 2037 1 1 5 LYS N N 2.125 -7.602 11.704 1.00 . A A . 5 LYS N 1 1 3 2038 1 1 5 LYS NZ N 6.562 -3.260 8.892 1.00 . A A . 5 LYS NZ 1 1 3 2039 1 1 5 LYS O O 2.693 -6.913 8.275 1.00 . A A . 5 LYS O 1 1 3 2040 1 1 6 SER C C -0.277 -6.742 7.323 1.00 . A A . 6 SER C 1 1 3 2041 1 1 6 SER CA C 0.005 -7.929 8.216 1.00 . A A . 6 SER CA 1 1 3 2042 1 1 6 SER CB C -1.314 -8.607 8.686 1.00 . A A . 6 SER CB 1 1 3 2043 1 1 6 SER H H 0.445 -7.699 10.242 1.00 . A A . 6 SER H 1 1 3 2044 1 1 6 SER HA H 0.551 -8.629 7.607 1.00 . A A . 6 SER HA 1 1 3 2045 1 1 6 SER HB2 H -2.037 -8.685 7.845 1.00 . A A . 6 SER HB2 1 1 3 2046 1 1 6 SER HB3 H -1.062 -9.644 9.010 1.00 . A A . 6 SER HB3 1 1 3 2047 1 1 6 SER HG H -2.855 -8.217 9.821 1.00 . A A . 6 SER HG 1 1 3 2048 1 1 6 SER N N 0.849 -7.590 9.339 1.00 . A A . 6 SER N 1 1 3 2049 1 1 6 SER O O -0.259 -5.587 7.753 1.00 . A A . 6 SER O 1 1 3 2050 1 1 6 SER OG O -1.915 -7.940 9.802 1.00 . A A . 6 SER OG 1 1 3 2051 1 1 7 ALA C C -1.185 -6.279 3.748 1.00 . A A . 7 ALA C 1 1 3 2052 1 1 7 ALA CA C -0.605 -5.895 5.096 1.00 . A A . 7 ALA CA 1 1 3 2053 1 1 7 ALA CB C 0.776 -5.247 4.873 1.00 . A A . 7 ALA CB 1 1 3 2054 1 1 7 ALA H H -0.482 -7.907 5.645 1.00 . A A . 7 ALA H 1 1 3 2055 1 1 7 ALA HA H -1.297 -5.183 5.522 1.00 . A A . 7 ALA HA 1 1 3 2056 1 1 7 ALA HB1 H 1.516 -6.035 4.631 1.00 . A A . 7 ALA HB1 1 1 3 2057 1 1 7 ALA HB2 H 1.105 -4.728 5.798 1.00 . A A . 7 ALA HB2 1 1 3 2058 1 1 7 ALA HB3 H 0.747 -4.506 4.049 1.00 . A A . 7 ALA HB3 1 1 3 2059 1 1 7 ALA N N -0.470 -6.984 6.019 1.00 . A A . 7 ALA N 1 1 3 2060 1 1 7 ALA O O -0.522 -6.824 2.874 1.00 . A A . 7 ALA O 1 1 3 2061 1 1 8 CYS C C -2.467 -4.602 1.396 1.00 . A A . 8 CYS C 1 1 3 2062 1 1 8 CYS CA C -2.963 -5.836 2.146 1.00 . A A . 8 CYS CA 1 1 3 2063 1 1 8 CYS CB C -4.506 -5.868 2.143 1.00 . A A . 8 CYS CB 1 1 3 2064 1 1 8 CYS H H -3.001 -5.493 4.224 1.00 . A A . 8 CYS H 1 1 3 2065 1 1 8 CYS HA H -2.614 -6.708 1.607 1.00 . A A . 8 CYS HA 1 1 3 2066 1 1 8 CYS HB2 H -4.895 -4.957 2.645 1.00 . A A . 8 CYS HB2 1 1 3 2067 1 1 8 CYS HB3 H -4.881 -5.869 1.098 1.00 . A A . 8 CYS HB3 1 1 3 2068 1 1 8 CYS N N -2.438 -5.883 3.491 1.00 . A A . 8 CYS N 1 1 3 2069 1 1 8 CYS O O -2.991 -3.495 1.528 1.00 . A A . 8 CYS O 1 1 3 2070 1 1 8 CYS SG S -5.124 -7.335 3.022 1.00 . A A . 8 CYS SG 1 1 3 2071 1 1 9 CYS C C -1.390 -4.183 -1.851 1.00 . A A . 9 CYS C 1 1 3 2072 1 1 9 CYS CA C -0.999 -3.824 -0.426 1.00 . A A . 9 CYS CA 1 1 3 2073 1 1 9 CYS CB C 0.547 -3.651 -0.350 1.00 . A A . 9 CYS CB 1 1 3 2074 1 1 9 CYS H H -0.961 -5.696 0.496 1.00 . A A . 9 CYS H 1 1 3 2075 1 1 9 CYS HA H -1.433 -2.865 -0.180 1.00 . A A . 9 CYS HA 1 1 3 2076 1 1 9 CYS HB2 H 0.796 -3.280 0.669 1.00 . A A . 9 CYS HB2 1 1 3 2077 1 1 9 CYS HB3 H 1.020 -4.656 -0.447 1.00 . A A . 9 CYS HB3 1 1 3 2078 1 1 9 CYS N N -1.450 -4.815 0.531 1.00 . A A . 9 CYS N 1 1 3 2079 1 1 9 CYS O O -0.869 -5.097 -2.480 1.00 . A A . 9 CYS O 1 1 3 2080 1 1 9 CYS SG S 1.231 -2.515 -1.617 1.00 . A A . 9 CYS SG 1 1 3 2081 1 1 10 ASP C C -2.004 -3.430 -4.875 1.00 . A A . 10 ASP C 1 1 3 2082 1 1 10 ASP CA C -2.966 -3.585 -3.691 1.00 . A A . 10 ASP CA 1 1 3 2083 1 1 10 ASP CB C -4.100 -2.535 -3.840 1.00 . A A . 10 ASP CB 1 1 3 2084 1 1 10 ASP CG C -5.194 -2.693 -2.793 1.00 . A A . 10 ASP CG 1 1 3 2085 1 1 10 ASP H H -2.744 -2.672 -1.855 1.00 . A A . 10 ASP H 1 1 3 2086 1 1 10 ASP HA H -3.373 -4.588 -3.737 1.00 . A A . 10 ASP HA 1 1 3 2087 1 1 10 ASP HB2 H -3.678 -1.525 -3.745 1.00 . A A . 10 ASP HB2 1 1 3 2088 1 1 10 ASP HB3 H -4.561 -2.585 -4.837 1.00 . A A . 10 ASP HB3 1 1 3 2089 1 1 10 ASP HD2 H -6.056 -1.170 -3.685 1.00 . A A . 10 ASP HD2 1 1 3 2090 1 1 10 ASP N N -2.337 -3.399 -2.400 1.00 . A A . 10 ASP N 1 1 3 2091 1 1 10 ASP O O -2.006 -4.217 -5.817 1.00 . A A . 10 ASP O 1 1 3 2092 1 1 10 ASP OD1 O -5.203 -3.500 -1.886 1.00 . A A . 10 ASP OD1 1 1 3 2093 1 1 10 ASP OD2 O -6.190 -1.751 -2.922 1.00 . A A . 10 ASP OD2 1 1 3 2094 1 1 11 THR C C 0.807 -1.171 -5.477 1.00 . A A . 11 THR C 1 1 3 2095 1 1 11 THR CA C -0.327 -2.003 -6.014 1.00 . A A . 11 THR CA 1 1 3 2096 1 1 11 THR CB C -1.081 -1.095 -6.994 1.00 . A A . 11 THR CB 1 1 3 2097 1 1 11 THR CG2 C -0.352 -0.817 -8.308 1.00 . A A . 11 THR CG2 1 1 3 2098 1 1 11 THR H H -1.139 -1.772 -4.091 1.00 . A A . 11 THR H 1 1 3 2099 1 1 11 THR HA H 0.105 -2.870 -6.496 1.00 . A A . 11 THR HA 1 1 3 2100 1 1 11 THR HB H -1.258 -0.116 -6.491 1.00 . A A . 11 THR HB 1 1 3 2101 1 1 11 THR HG1 H -2.225 -2.578 -7.456 1.00 . A A . 11 THR HG1 1 1 3 2102 1 1 11 THR HG21 H 0.631 -0.330 -8.147 1.00 . A A . 11 THR HG21 1 1 3 2103 1 1 11 THR HG22 H -0.954 -0.123 -8.934 1.00 . A A . 11 THR HG22 1 1 3 2104 1 1 11 THR HG23 H -0.204 -1.755 -8.884 1.00 . A A . 11 THR HG23 1 1 3 2105 1 1 11 THR N N -1.157 -2.387 -4.870 1.00 . A A . 11 THR N 1 1 3 2106 1 1 11 THR O O 0.622 -0.414 -4.523 1.00 . A A . 11 THR O 1 1 3 2107 1 1 11 THR OG1 O -2.354 -1.623 -7.342 1.00 . A A . 11 THR OG1 1 1 3 2108 1 1 12 CYS C C 4.300 -0.385 -6.339 1.00 . A A . 12 CYS C 1 1 3 2109 1 1 12 CYS CA C 3.206 -0.797 -5.388 1.00 . A A . 12 CYS CA 1 1 3 2110 1 1 12 CYS CB C 3.708 -1.988 -4.523 1.00 . A A . 12 CYS CB 1 1 3 2111 1 1 12 CYS H H 2.187 -1.830 -6.836 1.00 . A A . 12 CYS H 1 1 3 2112 1 1 12 CYS HA H 3.033 0.056 -4.767 1.00 . A A . 12 CYS HA 1 1 3 2113 1 1 12 CYS HB2 H 4.566 -1.667 -3.894 1.00 . A A . 12 CYS HB2 1 1 3 2114 1 1 12 CYS HB3 H 2.849 -2.273 -3.878 1.00 . A A . 12 CYS HB3 1 1 3 2115 1 1 12 CYS N N 2.005 -1.201 -6.075 1.00 . A A . 12 CYS N 1 1 3 2116 1 1 12 CYS O O 4.250 -0.586 -7.547 1.00 . A A . 12 CYS O 1 1 3 2117 1 1 12 CYS SG S 4.144 -3.473 -5.484 1.00 . A A . 12 CYS SG 1 1 3 2118 1 1 13 LEU C C 7.483 1.202 -5.774 1.00 . A A . 13 LEU C 1 1 3 2119 1 1 13 LEU CA C 6.229 1.058 -6.577 1.00 . A A . 13 LEU CA 1 1 3 2120 1 1 13 LEU CB C 5.631 2.443 -6.882 1.00 . A A . 13 LEU CB 1 1 3 2121 1 1 13 LEU CD1 C 7.102 3.028 -8.832 1.00 . A A . 13 LEU CD1 1 1 3 2122 1 1 13 LEU CD2 C 5.814 4.839 -7.681 1.00 . A A . 13 LEU CD2 1 1 3 2123 1 1 13 LEU CG C 6.557 3.507 -7.492 1.00 . A A . 13 LEU CG 1 1 3 2124 1 1 13 LEU H H 5.244 0.575 -4.817 1.00 . A A . 13 LEU H 1 1 3 2125 1 1 13 LEU HA H 6.469 0.531 -7.490 1.00 . A A . 13 LEU HA 1 1 3 2126 1 1 13 LEU HB2 H 4.807 2.262 -7.604 1.00 . A A . 13 LEU HB2 1 1 3 2127 1 1 13 LEU HB3 H 5.206 2.830 -5.935 1.00 . A A . 13 LEU HB3 1 1 3 2128 1 1 13 LEU HD11 H 6.262 2.775 -9.515 1.00 . A A . 13 LEU HD11 1 1 3 2129 1 1 13 LEU HD12 H 7.743 2.133 -8.705 1.00 . A A . 13 LEU HD12 1 1 3 2130 1 1 13 LEU HD13 H 7.711 3.828 -9.296 1.00 . A A . 13 LEU HD13 1 1 3 2131 1 1 13 LEU HD21 H 5.420 5.210 -6.713 1.00 . A A . 13 LEU HD21 1 1 3 2132 1 1 13 LEU HD22 H 4.969 4.717 -8.391 1.00 . A A . 13 LEU HD22 1 1 3 2133 1 1 13 LEU HD23 H 6.502 5.607 -8.095 1.00 . A A . 13 LEU HD23 1 1 3 2134 1 1 13 LEU HG H 7.416 3.696 -6.801 1.00 . A A . 13 LEU HG 1 1 3 2135 1 1 13 LEU N N 5.289 0.318 -5.784 1.00 . A A . 13 LEU N 1 1 3 2136 1 1 13 LEU O O 7.535 1.874 -4.739 1.00 . A A . 13 LEU O 1 1 3 2137 1 1 14 CYS C C 10.636 1.496 -6.742 1.00 . A A . 14 CYS C 1 1 3 2138 1 1 14 CYS CA C 9.865 0.595 -5.795 1.00 . A A . 14 CYS CA 1 1 3 2139 1 1 14 CYS CB C 10.550 -0.773 -5.598 1.00 . A A . 14 CYS CB 1 1 3 2140 1 1 14 CYS H H 8.381 -0.137 -7.010 1.00 . A A . 14 CYS H 1 1 3 2141 1 1 14 CYS HA H 9.881 1.110 -4.857 1.00 . A A . 14 CYS HA 1 1 3 2142 1 1 14 CYS HB2 H 10.620 -1.276 -6.583 1.00 . A A . 14 CYS HB2 1 1 3 2143 1 1 14 CYS HB3 H 11.591 -0.589 -5.267 1.00 . A A . 14 CYS HB3 1 1 3 2144 1 1 14 CYS N N 8.504 0.458 -6.213 1.00 . A A . 14 CYS N 1 1 3 2145 1 1 14 CYS O O 10.555 1.398 -7.967 1.00 . A A . 14 CYS O 1 1 3 2146 1 1 14 CYS SG S 9.734 -1.915 -4.405 1.00 . A A . 14 CYS SG 1 1 3 2147 1 1 15 THR C C 13.457 2.816 -7.596 1.00 . A A . 15 THR C 1 1 3 2148 1 1 15 THR CA C 12.203 3.377 -6.950 1.00 . A A . 15 THR CA 1 1 3 2149 1 1 15 THR CB C 12.642 4.589 -6.137 1.00 . A A . 15 THR CB 1 1 3 2150 1 1 15 THR CG2 C 11.399 5.352 -5.660 1.00 . A A . 15 THR CG2 1 1 3 2151 1 1 15 THR H H 11.418 2.527 -5.179 1.00 . A A . 15 THR H 1 1 3 2152 1 1 15 THR HA H 11.588 3.758 -7.751 1.00 . A A . 15 THR HA 1 1 3 2153 1 1 15 THR HB H 13.254 5.270 -6.779 1.00 . A A . 15 THR HB 1 1 3 2154 1 1 15 THR HG1 H 13.636 5.099 -4.586 1.00 . A A . 15 THR HG1 1 1 3 2155 1 1 15 THR HG21 H 10.755 5.605 -6.529 1.00 . A A . 15 THR HG21 1 1 3 2156 1 1 15 THR HG22 H 11.691 6.296 -5.156 1.00 . A A . 15 THR HG22 1 1 3 2157 1 1 15 THR HG23 H 10.801 4.751 -4.947 1.00 . A A . 15 THR HG23 1 1 3 2158 1 1 15 THR N N 11.415 2.420 -6.180 1.00 . A A . 15 THR N 1 1 3 2159 1 1 15 THR O O 14.039 1.812 -7.176 1.00 . A A . 15 THR O 1 1 3 2160 1 1 15 THR OG1 O 13.397 4.232 -4.984 1.00 . A A . 15 THR OG1 1 1 3 2161 1 1 16 ARG C C 16.081 4.491 -8.100 1.00 . A A . 16 ARG C 1 1 3 2162 1 1 16 ARG CA C 15.348 3.494 -8.991 1.00 . A A . 16 ARG CA 1 1 3 2163 1 1 16 ARG CB C 15.674 3.672 -10.501 1.00 . A A . 16 ARG CB 1 1 3 2164 1 1 16 ARG CD C 16.342 5.149 -12.473 1.00 . A A . 16 ARG CD 1 1 3 2165 1 1 16 ARG CG C 15.704 5.101 -11.077 1.00 . A A . 16 ARG CG 1 1 3 2166 1 1 16 ARG CZ C 17.302 7.021 -13.877 1.00 . A A . 16 ARG CZ 1 1 3 2167 1 1 16 ARG H H 13.407 4.246 -9.044 1.00 . A A . 16 ARG H 1 1 3 2168 1 1 16 ARG HA H 15.714 2.512 -8.749 1.00 . A A . 16 ARG HA 1 1 3 2169 1 1 16 ARG HB2 H 16.682 3.227 -10.675 1.00 . A A . 16 ARG HB2 1 1 3 2170 1 1 16 ARG HB3 H 14.939 3.080 -11.091 1.00 . A A . 16 ARG HB3 1 1 3 2171 1 1 16 ARG HD2 H 17.353 4.690 -12.423 1.00 . A A . 16 ARG HD2 1 1 3 2172 1 1 16 ARG HD3 H 15.711 4.619 -13.218 1.00 . A A . 16 ARG HD3 1 1 3 2173 1 1 16 ARG HE H 15.939 7.267 -12.378 1.00 . A A . 16 ARG HE 1 1 3 2174 1 1 16 ARG HG2 H 14.667 5.498 -11.122 1.00 . A A . 16 ARG HG2 1 1 3 2175 1 1 16 ARG HG3 H 16.308 5.762 -10.414 1.00 . A A . 16 ARG HG3 1 1 3 2176 1 1 16 ARG HH11 H 17.981 5.171 -14.482 1.00 . A A . 16 ARG HH11 1 1 3 2177 1 1 16 ARG HH12 H 18.640 6.511 -15.346 1.00 . A A . 16 ARG HH12 1 1 3 2178 1 1 16 ARG HH21 H 16.840 9.007 -13.608 1.00 . A A . 16 ARG HH21 1 1 3 2179 1 1 16 ARG HH22 H 17.960 8.681 -14.893 1.00 . A A . 16 ARG HH22 1 1 3 2180 1 1 16 ARG N N 13.944 3.509 -8.644 1.00 . A A . 16 ARG N 1 1 3 2181 1 1 16 ARG NE N 16.470 6.588 -12.880 1.00 . A A . 16 ARG NE 1 1 3 2182 1 1 16 ARG NH1 N 18.049 6.158 -14.620 1.00 . A A . 16 ARG NH1 1 1 3 2183 1 1 16 ARG NH2 N 17.381 8.358 -14.142 1.00 . A A . 16 ARG NH2 1 1 3 2184 1 1 16 ARG O O 15.729 5.668 -8.017 1.00 . A A . 16 ARG O 1 1 3 2185 1 1 17 SER C C 18.932 3.882 -5.921 1.00 . A A . 17 SER C 1 1 3 2186 1 1 17 SER CA C 17.896 4.832 -6.458 1.00 . A A . 17 SER CA 1 1 3 2187 1 1 17 SER CB C 17.118 5.482 -5.277 1.00 . A A . 17 SER CB 1 1 3 2188 1 1 17 SER H H 17.377 3.078 -7.445 1.00 . A A . 17 SER H 1 1 3 2189 1 1 17 SER HA H 18.405 5.592 -7.027 1.00 . A A . 17 SER HA 1 1 3 2190 1 1 17 SER HB2 H 16.200 5.964 -5.676 1.00 . A A . 17 SER HB2 1 1 3 2191 1 1 17 SER HB3 H 16.796 4.707 -4.551 1.00 . A A . 17 SER HB3 1 1 3 2192 1 1 17 SER HG H 17.279 6.978 -4.029 1.00 . A A . 17 SER HG 1 1 3 2193 1 1 17 SER N N 17.092 4.028 -7.359 1.00 . A A . 17 SER N 1 1 3 2194 1 1 17 SER O O 19.087 2.779 -6.438 1.00 . A A . 17 SER O 1 1 3 2195 1 1 17 SER OG O 17.896 6.488 -4.622 1.00 . A A . 17 SER OG 1 1 3 2196 1 1 18 GLN C C 20.881 3.741 -2.803 1.00 . A A . 18 GLN C 1 1 3 2197 1 1 18 GLN CA C 20.668 3.409 -4.279 1.00 . A A . 18 GLN CA 1 1 3 2198 1 1 18 GLN CB C 21.975 3.602 -5.066 1.00 . A A . 18 GLN CB 1 1 3 2199 1 1 18 GLN CD C 23.505 2.121 -3.659 1.00 . A A . 18 GLN CD 1 1 3 2200 1 1 18 GLN CG C 22.928 2.389 -5.044 1.00 . A A . 18 GLN CG 1 1 3 2201 1 1 18 GLN H H 19.490 5.153 -4.475 1.00 . A A . 18 GLN H 1 1 3 2202 1 1 18 GLN HA H 20.378 2.376 -4.384 1.00 . A A . 18 GLN HA 1 1 3 2203 1 1 18 GLN HB2 H 21.673 3.751 -6.124 1.00 . A A . 18 GLN HB2 1 1 3 2204 1 1 18 GLN HB3 H 22.486 4.538 -4.758 1.00 . A A . 18 GLN HB3 1 1 3 2205 1 1 18 GLN HE21 H 22.375 0.429 -3.444 1.00 . A A . 18 GLN HE21 1 1 3 2206 1 1 18 GLN HE22 H 23.539 0.741 -2.177 1.00 . A A . 18 GLN HE22 1 1 3 2207 1 1 18 GLN HG2 H 22.406 1.484 -5.422 1.00 . A A . 18 GLN HG2 1 1 3 2208 1 1 18 GLN HG3 H 23.786 2.593 -5.722 1.00 . A A . 18 GLN HG3 1 1 3 2209 1 1 18 GLN N N 19.638 4.240 -4.848 1.00 . A A . 18 GLN N 1 1 3 2210 1 1 18 GLN NE2 N 23.063 1.023 -3.015 1.00 . A A . 18 GLN NE2 1 1 3 2211 1 1 18 GLN O O 21.571 4.713 -2.478 1.00 . A A . 18 GLN O 1 1 3 2212 1 1 18 GLN OE1 O 24.331 2.888 -3.154 1.00 . A A . 18 GLN OE1 1 1 3 2213 1 1 19 PRO C C 18.084 2.233 -2.624 1.00 . A A . 19 PRO C 1 1 3 2214 1 1 19 PRO CA C 19.452 1.825 -2.084 1.00 . A A . 19 PRO CA 1 1 3 2215 1 1 19 PRO CB C 19.343 1.226 -0.674 1.00 . A A . 19 PRO CB 1 1 3 2216 1 1 19 PRO CD C 20.507 3.292 -0.455 1.00 . A A . 19 PRO CD 1 1 3 2217 1 1 19 PRO CG C 19.456 2.437 0.246 1.00 . A A . 19 PRO CG 1 1 3 2218 1 1 19 PRO HA H 19.915 1.145 -2.779 1.00 . A A . 19 PRO HA 1 1 3 2219 1 1 19 PRO HB2 H 18.401 0.656 -0.510 1.00 . A A . 19 PRO HB2 1 1 3 2220 1 1 19 PRO HB3 H 20.227 0.561 -0.501 1.00 . A A . 19 PRO HB3 1 1 3 2221 1 1 19 PRO HD2 H 20.353 4.377 -0.251 1.00 . A A . 19 PRO HD2 1 1 3 2222 1 1 19 PRO HD3 H 21.536 2.992 -0.150 1.00 . A A . 19 PRO HD3 1 1 3 2223 1 1 19 PRO HG2 H 18.488 2.985 0.278 1.00 . A A . 19 PRO HG2 1 1 3 2224 1 1 19 PRO HG3 H 19.755 2.160 1.274 1.00 . A A . 19 PRO HG3 1 1 3 2225 1 1 19 PRO N N 20.325 2.981 -1.871 1.00 . A A . 19 PRO N 1 1 3 2226 1 1 19 PRO O O 17.727 3.410 -2.491 1.00 . A A . 19 PRO O 1 1 3 2227 1 1 20 PRO C C 15.023 1.830 -2.502 1.00 . A A . 20 PRO C 1 1 3 2228 1 1 20 PRO CA C 15.952 1.645 -3.678 1.00 . A A . 20 PRO CA 1 1 3 2229 1 1 20 PRO CB C 15.568 0.408 -4.500 1.00 . A A . 20 PRO CB 1 1 3 2230 1 1 20 PRO CD C 17.657 -0.065 -3.460 1.00 . A A . 20 PRO CD 1 1 3 2231 1 1 20 PRO CG C 16.335 -0.733 -3.836 1.00 . A A . 20 PRO CG 1 1 3 2232 1 1 20 PRO HA H 15.914 2.558 -4.254 1.00 . A A . 20 PRO HA 1 1 3 2233 1 1 20 PRO HB2 H 14.476 0.223 -4.548 1.00 . A A . 20 PRO HB2 1 1 3 2234 1 1 20 PRO HB3 H 15.955 0.544 -5.535 1.00 . A A . 20 PRO HB3 1 1 3 2235 1 1 20 PRO HD2 H 18.088 -0.535 -2.547 1.00 . A A . 20 PRO HD2 1 1 3 2236 1 1 20 PRO HD3 H 18.374 -0.130 -4.310 1.00 . A A . 20 PRO HD3 1 1 3 2237 1 1 20 PRO HG2 H 15.794 -1.057 -2.918 1.00 . A A . 20 PRO HG2 1 1 3 2238 1 1 20 PRO HG3 H 16.469 -1.606 -4.505 1.00 . A A . 20 PRO HG3 1 1 3 2239 1 1 20 PRO N N 17.311 1.346 -3.247 1.00 . A A . 20 PRO N 1 1 3 2240 1 1 20 PRO O O 15.420 1.677 -1.348 1.00 . A A . 20 PRO O 1 1 3 2241 1 1 21 THR C C 11.480 2.575 -2.219 1.00 . A A . 21 THR C 1 1 3 2242 1 1 21 THR CA C 12.899 2.730 -1.723 1.00 . A A . 21 THR CA 1 1 3 2243 1 1 21 THR CB C 13.234 4.194 -1.469 1.00 . A A . 21 THR CB 1 1 3 2244 1 1 21 THR CG2 C 12.182 4.935 -0.659 1.00 . A A . 21 THR CG2 1 1 3 2245 1 1 21 THR H H 13.522 2.412 -3.709 1.00 . A A . 21 THR H 1 1 3 2246 1 1 21 THR HA H 12.991 2.146 -0.821 1.00 . A A . 21 THR HA 1 1 3 2247 1 1 21 THR HB H 13.347 4.698 -2.457 1.00 . A A . 21 THR HB 1 1 3 2248 1 1 21 THR HG1 H 14.966 3.514 -0.963 1.00 . A A . 21 THR HG1 1 1 3 2249 1 1 21 THR HG21 H 11.227 4.996 -1.222 1.00 . A A . 21 THR HG21 1 1 3 2250 1 1 21 THR HG22 H 12.505 5.972 -0.448 1.00 . A A . 21 THR HG22 1 1 3 2251 1 1 21 THR HG23 H 12.025 4.428 0.316 1.00 . A A . 21 THR HG23 1 1 3 2252 1 1 21 THR N N 13.775 2.208 -2.760 1.00 . A A . 21 THR N 1 1 3 2253 1 1 21 THR O O 11.205 2.735 -3.403 1.00 . A A . 21 THR O 1 1 3 2254 1 1 21 THR OG1 O 14.445 4.304 -0.728 1.00 . A A . 21 THR OG1 1 1 3 2255 1 1 22 CYS C C 8.081 1.813 -1.018 1.00 . A A . 22 CYS C 1 1 3 2256 1 1 22 CYS CA C 9.314 1.546 -1.862 1.00 . A A . 22 CYS CA 1 1 3 2257 1 1 22 CYS CB C 9.552 0.020 -2.043 1.00 . A A . 22 CYS CB 1 1 3 2258 1 1 22 CYS H H 10.748 2.039 -0.369 1.00 . A A . 22 CYS H 1 1 3 2259 1 1 22 CYS HA H 9.072 1.977 -2.822 1.00 . A A . 22 CYS HA 1 1 3 2260 1 1 22 CYS HB2 H 10.593 -0.100 -2.410 1.00 . A A . 22 CYS HB2 1 1 3 2261 1 1 22 CYS HB3 H 9.511 -0.474 -1.056 1.00 . A A . 22 CYS HB3 1 1 3 2262 1 1 22 CYS N N 10.540 2.137 -1.354 1.00 . A A . 22 CYS N 1 1 3 2263 1 1 22 CYS O O 8.147 2.113 0.179 1.00 . A A . 22 CYS O 1 1 3 2264 1 1 22 CYS SG S 8.464 -0.824 -3.231 1.00 . A A . 22 CYS SG 1 1 3 2265 1 1 23 ARG C C 4.449 1.529 -1.925 1.00 . A A . 23 ARG C 1 1 3 2266 1 1 23 ARG CA C 5.614 1.941 -1.035 1.00 . A A . 23 ARG CA 1 1 3 2267 1 1 23 ARG CB C 5.455 3.448 -0.675 1.00 . A A . 23 ARG CB 1 1 3 2268 1 1 23 ARG CD C 5.092 5.860 -1.453 1.00 . A A . 23 ARG CD 1 1 3 2269 1 1 23 ARG CG C 5.372 4.404 -1.881 1.00 . A A . 23 ARG CG 1 1 3 2270 1 1 23 ARG CZ C 2.629 5.990 -1.980 1.00 . A A . 23 ARG CZ 1 1 3 2271 1 1 23 ARG H H 6.915 1.433 -2.628 1.00 . A A . 23 ARG H 1 1 3 2272 1 1 23 ARG HA H 5.527 1.356 -0.136 1.00 . A A . 23 ARG HA 1 1 3 2273 1 1 23 ARG HB2 H 4.556 3.601 -0.039 1.00 . A A . 23 ARG HB2 1 1 3 2274 1 1 23 ARG HB3 H 6.320 3.756 -0.050 1.00 . A A . 23 ARG HB3 1 1 3 2275 1 1 23 ARG HD2 H 4.900 5.947 -0.365 1.00 . A A . 23 ARG HD2 1 1 3 2276 1 1 23 ARG HD3 H 5.948 6.511 -1.715 1.00 . A A . 23 ARG HD3 1 1 3 2277 1 1 23 ARG HE H 4.078 7.051 -2.935 1.00 . A A . 23 ARG HE 1 1 3 2278 1 1 23 ARG HG2 H 6.325 4.369 -2.454 1.00 . A A . 23 ARG HG2 1 1 3 2279 1 1 23 ARG HG3 H 4.567 4.054 -2.564 1.00 . A A . 23 ARG HG3 1 1 3 2280 1 1 23 ARG HH11 H 2.993 4.842 -0.323 1.00 . A A . 23 ARG HH11 1 1 3 2281 1 1 23 ARG HH12 H 1.344 4.868 -0.831 1.00 . A A . 23 ARG HH12 1 1 3 2282 1 1 23 ARG HH21 H 1.931 7.013 -3.598 1.00 . A A . 23 ARG HH21 1 1 3 2283 1 1 23 ARG HH22 H 0.711 6.166 -2.696 1.00 . A A . 23 ARG HH22 1 1 3 2284 1 1 23 ARG N N 6.898 1.636 -1.641 1.00 . A A . 23 ARG N 1 1 3 2285 1 1 23 ARG NE N 3.915 6.398 -2.197 1.00 . A A . 23 ARG NE 1 1 3 2286 1 1 23 ARG NH1 N 2.296 5.139 -0.973 1.00 . A A . 23 ARG NH1 1 1 3 2287 1 1 23 ARG NH2 N 1.662 6.447 -2.818 1.00 . A A . 23 ARG NH2 1 1 3 2288 1 1 23 ARG O O 4.612 1.046 -3.042 1.00 . A A . 23 ARG O 1 1 3 2289 1 1 24 CYS C C 1.140 2.214 -2.570 1.00 . A A . 24 CYS C 1 1 3 2290 1 1 24 CYS CA C 1.996 1.112 -1.952 1.00 . A A . 24 CYS CA 1 1 3 2291 1 1 24 CYS CB C 1.204 0.375 -0.841 1.00 . A A . 24 CYS CB 1 1 3 2292 1 1 24 CYS H H 3.138 2.112 -0.510 1.00 . A A . 24 CYS H 1 1 3 2293 1 1 24 CYS HA H 2.245 0.412 -2.736 1.00 . A A . 24 CYS HA 1 1 3 2294 1 1 24 CYS HB2 H 1.933 -0.151 -0.191 1.00 . A A . 24 CYS HB2 1 1 3 2295 1 1 24 CYS HB3 H 0.683 1.100 -0.183 1.00 . A A . 24 CYS HB3 1 1 3 2296 1 1 24 CYS N N 3.222 1.648 -1.383 1.00 . A A . 24 CYS N 1 1 3 2297 1 1 24 CYS O O 0.491 2.980 -1.866 1.00 . A A . 24 CYS O 1 1 3 2298 1 1 24 CYS SG S 0.051 -0.864 -1.480 1.00 . A A . 24 CYS SG 1 1 3 2299 1 1 25 VAL C C -0.983 3.459 -4.554 1.00 . A A . 25 VAL C 1 1 3 2300 1 1 25 VAL CA C 0.519 3.416 -4.665 1.00 . A A . 25 VAL CA 1 1 3 2301 1 1 25 VAL CB C 1.007 3.520 -6.104 1.00 . A A . 25 VAL CB 1 1 3 2302 1 1 25 VAL CG1 C 2.516 3.804 -6.042 1.00 . A A . 25 VAL CG1 1 1 3 2303 1 1 25 VAL CG2 C 0.727 2.268 -6.956 1.00 . A A . 25 VAL CG2 1 1 3 2304 1 1 25 VAL H H 1.528 1.641 -4.487 1.00 . A A . 25 VAL H 1 1 3 2305 1 1 25 VAL HA H 0.831 4.330 -4.196 1.00 . A A . 25 VAL HA 1 1 3 2306 1 1 25 VAL HB H 0.510 4.391 -6.591 1.00 . A A . 25 VAL HB 1 1 3 2307 1 1 25 VAL HG11 H 2.720 4.728 -5.458 1.00 . A A . 25 VAL HG11 1 1 3 2308 1 1 25 VAL HG12 H 2.922 3.945 -7.067 1.00 . A A . 25 VAL HG12 1 1 3 2309 1 1 25 VAL HG13 H 3.049 2.954 -5.566 1.00 . A A . 25 VAL HG13 1 1 3 2310 1 1 25 VAL HG21 H 1.156 2.405 -7.972 1.00 . A A . 25 VAL HG21 1 1 3 2311 1 1 25 VAL HG22 H -0.361 2.096 -7.088 1.00 . A A . 25 VAL HG22 1 1 3 2312 1 1 25 VAL HG23 H 1.202 1.369 -6.519 1.00 . A A . 25 VAL HG23 1 1 3 2313 1 1 25 VAL N N 1.174 2.364 -3.908 1.00 . A A . 25 VAL N 1 1 3 2314 1 1 25 VAL O O -1.593 4.511 -4.378 1.00 . A A . 25 VAL O 1 1 3 2315 1 1 26 ASP C C -3.637 2.137 -3.306 1.00 . A A . 26 ASP C 1 1 3 2316 1 1 26 ASP CA C -3.065 2.179 -4.707 1.00 . A A . 26 ASP CA 1 1 3 2317 1 1 26 ASP CB C -3.513 0.972 -5.569 1.00 . A A . 26 ASP CB 1 1 3 2318 1 1 26 ASP CG C -5.014 0.742 -5.611 1.00 . A A . 26 ASP CG 1 1 3 2319 1 1 26 ASP H H -1.070 1.459 -4.625 1.00 . A A . 26 ASP H 1 1 3 2320 1 1 26 ASP HA H -3.458 3.064 -5.191 1.00 . A A . 26 ASP HA 1 1 3 2321 1 1 26 ASP HB2 H -3.167 1.144 -6.611 1.00 . A A . 26 ASP HB2 1 1 3 2322 1 1 26 ASP HB3 H -3.050 0.044 -5.184 1.00 . A A . 26 ASP HB3 1 1 3 2323 1 1 26 ASP HD2 H -6.549 1.284 -6.546 1.00 . A A . 26 ASP HD2 1 1 3 2324 1 1 26 ASP N N -1.624 2.285 -4.651 1.00 . A A . 26 ASP N 1 1 3 2325 1 1 26 ASP O O -3.336 1.259 -2.499 1.00 . A A . 26 ASP O 1 1 3 2326 1 1 26 ASP OD1 O -5.619 -0.141 -5.032 1.00 . A A . 26 ASP OD1 1 1 3 2327 1 1 26 ASP OD2 O -5.658 1.651 -6.394 1.00 . A A . 26 ASP OD2 1 1 3 2328 1 1 27 VAL C C -6.267 2.249 -1.500 1.00 . A A . 27 VAL C 1 1 3 2329 1 1 27 VAL CA C -5.190 3.271 -1.776 1.00 . A A . 27 VAL CA 1 1 3 2330 1 1 27 VAL CB C -5.807 4.644 -1.633 1.00 . A A . 27 VAL CB 1 1 3 2331 1 1 27 VAL CG1 C -4.695 5.690 -1.674 1.00 . A A . 27 VAL CG1 1 1 3 2332 1 1 27 VAL CG2 C -6.870 4.913 -2.704 1.00 . A A . 27 VAL CG2 1 1 3 2333 1 1 27 VAL H H -4.622 3.866 -3.679 1.00 . A A . 27 VAL H 1 1 3 2334 1 1 27 VAL HA H -4.473 3.158 -0.979 1.00 . A A . 27 VAL HA 1 1 3 2335 1 1 27 VAL HB H -6.291 4.709 -0.634 1.00 . A A . 27 VAL HB 1 1 3 2336 1 1 27 VAL HG11 H -4.253 5.759 -2.685 1.00 . A A . 27 VAL HG11 1 1 3 2337 1 1 27 VAL HG12 H -3.903 5.402 -0.956 1.00 . A A . 27 VAL HG12 1 1 3 2338 1 1 27 VAL HG13 H -5.094 6.690 -1.396 1.00 . A A . 27 VAL HG13 1 1 3 2339 1 1 27 VAL HG21 H -7.752 4.254 -2.552 1.00 . A A . 27 VAL HG21 1 1 3 2340 1 1 27 VAL HG22 H -6.484 4.774 -3.732 1.00 . A A . 27 VAL HG22 1 1 3 2341 1 1 27 VAL HG23 H -7.207 5.963 -2.609 1.00 . A A . 27 VAL HG23 1 1 3 2342 1 1 27 VAL N N -4.489 3.126 -3.026 1.00 . A A . 27 VAL N 1 1 3 2343 1 1 27 VAL O O -6.879 1.660 -2.391 1.00 . A A . 27 VAL O 1 1 3 2344 1 1 28 ARG C C -8.642 1.852 0.926 1.00 . A A . 28 ARG C 1 1 3 2345 1 1 28 ARG CA C -7.480 1.120 0.317 1.00 . A A . 28 ARG CA 1 1 3 2346 1 1 28 ARG CB C -6.950 0.235 1.477 1.00 . A A . 28 ARG CB 1 1 3 2347 1 1 28 ARG CD C -4.520 0.775 1.850 1.00 . A A . 28 ARG CD 1 1 3 2348 1 1 28 ARG CG C -5.509 -0.263 1.307 1.00 . A A . 28 ARG CG 1 1 3 2349 1 1 28 ARG CZ C -2.365 1.810 1.136 1.00 . A A . 28 ARG CZ 1 1 3 2350 1 1 28 ARG H H -5.979 2.567 0.472 1.00 . A A . 28 ARG H 1 1 3 2351 1 1 28 ARG HA H -7.840 0.496 -0.485 1.00 . A A . 28 ARG HA 1 1 3 2352 1 1 28 ARG HB2 H -6.944 0.817 2.427 1.00 . A A . 28 ARG HB2 1 1 3 2353 1 1 28 ARG HB3 H -7.654 -0.616 1.630 1.00 . A A . 28 ARG HB3 1 1 3 2354 1 1 28 ARG HD2 H -5.064 1.716 2.073 1.00 . A A . 28 ARG HD2 1 1 3 2355 1 1 28 ARG HD3 H -4.051 0.431 2.789 1.00 . A A . 28 ARG HD3 1 1 3 2356 1 1 28 ARG HE H -3.660 0.871 -0.139 1.00 . A A . 28 ARG HE 1 1 3 2357 1 1 28 ARG HG2 H -5.375 -1.185 1.916 1.00 . A A . 28 ARG HG2 1 1 3 2358 1 1 28 ARG HG3 H -5.332 -0.519 0.242 1.00 . A A . 28 ARG HG3 1 1 3 2359 1 1 28 ARG HH11 H -2.668 1.712 3.146 1.00 . A A . 28 ARG HH11 1 1 3 2360 1 1 28 ARG HH12 H -1.259 2.624 2.677 1.00 . A A . 28 ARG HH12 1 1 3 2361 1 1 28 ARG HH21 H -1.795 2.056 -0.815 1.00 . A A . 28 ARG HH21 1 1 3 2362 1 1 28 ARG HH22 H -0.730 2.774 0.340 1.00 . A A . 28 ARG HH22 1 1 3 2363 1 1 28 ARG N N -6.506 2.048 -0.199 1.00 . A A . 28 ARG N 1 1 3 2364 1 1 28 ARG NE N -3.475 1.078 0.822 1.00 . A A . 28 ARG NE 1 1 3 2365 1 1 28 ARG NH1 N -2.068 2.088 2.437 1.00 . A A . 28 ARG NH1 1 1 3 2366 1 1 28 ARG NH2 N -1.568 2.273 0.136 1.00 . A A . 28 ARG NH2 1 1 3 2367 1 1 28 ARG O O -8.541 3.009 1.331 1.00 . A A . 28 ARG O 1 1 3 2368 1 1 29 GLU C C -9.862 0.981 3.579 1.00 . A A . 29 GLU C 1 1 3 2369 1 1 29 GLU CA C -10.602 1.192 2.244 1.00 . A A . 29 GLU CA 1 1 3 2370 1 1 29 GLU CB C -11.794 0.249 2.006 1.00 . A A . 29 GLU CB 1 1 3 2371 1 1 29 GLU CD C -14.050 0.066 0.884 1.00 . A A . 29 GLU CD 1 1 3 2372 1 1 29 GLU CG C -12.674 0.708 0.819 1.00 . A A . 29 GLU CG 1 1 3 2373 1 1 29 GLU H H -9.828 0.239 0.629 1.00 . A A . 29 GLU H 1 1 3 2374 1 1 29 GLU HA H -10.993 2.195 2.299 1.00 . A A . 29 GLU HA 1 1 3 2375 1 1 29 GLU HB2 H -11.403 -0.755 1.736 1.00 . A A . 29 GLU HB2 1 1 3 2376 1 1 29 GLU HB3 H -12.411 0.189 2.929 1.00 . A A . 29 GLU HB3 1 1 3 2377 1 1 29 GLU HE2 H -15.886 0.507 0.955 1.00 . A A . 29 GLU HE2 1 1 3 2378 1 1 29 GLU HG2 H -12.786 1.810 0.858 1.00 . A A . 29 GLU HG2 1 1 3 2379 1 1 29 GLU HG3 H -12.194 0.436 -0.142 1.00 . A A . 29 GLU HG3 1 1 3 2380 1 1 29 GLU N N -9.761 1.129 1.078 1.00 . A A . 29 GLU N 1 1 3 2381 1 1 29 GLU O O -9.464 1.920 4.262 1.00 . A A . 29 GLU O 1 1 3 2382 1 1 29 GLU OE1 O -14.293 -1.112 1.077 1.00 . A A . 29 GLU OE1 1 1 3 2383 1 1 29 GLU OE2 O -15.064 0.979 0.770 1.00 . A A . 29 GLU OE2 1 1 3 2384 1 1 30 SER C C -7.452 -0.489 5.185 1.00 . A A . 30 SER C 1 1 3 2385 1 1 30 SER CA C -8.944 -0.682 5.208 1.00 . A A . 30 SER CA 1 1 3 2386 1 1 30 SER CB C -9.154 -2.152 5.666 1.00 . A A . 30 SER CB 1 1 3 2387 1 1 30 SER H H -9.918 -1.032 3.389 1.00 . A A . 30 SER H 1 1 3 2388 1 1 30 SER HA H -9.301 -0.037 5.997 1.00 . A A . 30 SER HA 1 1 3 2389 1 1 30 SER HB2 H -8.700 -2.857 4.929 1.00 . A A . 30 SER HB2 1 1 3 2390 1 1 30 SER HB3 H -8.645 -2.314 6.645 1.00 . A A . 30 SER HB3 1 1 3 2391 1 1 30 SER HG H -10.587 -3.433 5.980 1.00 . A A . 30 SER HG 1 1 3 2392 1 1 30 SER N N -9.670 -0.281 4.001 1.00 . A A . 30 SER N 1 1 3 2393 1 1 30 SER O O -6.715 -1.198 4.505 1.00 . A A . 30 SER O 1 1 3 2394 1 1 30 SER OG O -10.541 -2.459 5.814 1.00 . A A . 30 SER OG 1 1 3 2395 1 1 31 CYS C C -4.928 -0.318 7.233 1.00 . A A . 31 CYS C 1 1 3 2396 1 1 31 CYS CA C -5.504 0.599 6.173 1.00 . A A . 31 CYS CA 1 1 3 2397 1 1 31 CYS CB C -5.052 2.049 6.439 1.00 . A A . 31 CYS CB 1 1 3 2398 1 1 31 CYS H H -7.539 1.030 6.560 1.00 . A A . 31 CYS H 1 1 3 2399 1 1 31 CYS HA H -5.040 0.314 5.239 1.00 . A A . 31 CYS HA 1 1 3 2400 1 1 31 CYS HB2 H -5.719 2.709 5.842 1.00 . A A . 31 CYS HB2 1 1 3 2401 1 1 31 CYS HB3 H -5.187 2.325 7.513 1.00 . A A . 31 CYS HB3 1 1 3 2402 1 1 31 CYS N N -6.936 0.442 6.008 1.00 . A A . 31 CYS N 1 1 3 2403 1 1 31 CYS O O -4.428 0.095 8.279 1.00 . A A . 31 CYS O 1 1 3 2404 1 1 31 CYS SG S -3.327 2.259 5.880 1.00 . A A . 31 CYS SG 1 1 3 2405 1 1 32 HIS C C -3.241 -3.175 6.381 1.00 . A A . 32 HIS C 1 1 3 2406 1 1 32 HIS CA C -4.017 -2.566 7.534 1.00 . A A . 32 HIS CA 1 1 3 2407 1 1 32 HIS CB C -4.696 -3.545 8.496 1.00 . A A . 32 HIS CB 1 1 3 2408 1 1 32 HIS CD2 C -3.367 -3.678 10.725 1.00 . A A . 32 HIS CD2 1 1 3 2409 1 1 32 HIS CE1 C -1.882 -5.114 10.040 1.00 . A A . 32 HIS CE1 1 1 3 2410 1 1 32 HIS CG C -3.721 -4.096 9.486 1.00 . A A . 32 HIS CG 1 1 3 2411 1 1 32 HIS H H -5.444 -1.954 6.144 1.00 . A A . 32 HIS H 1 1 3 2412 1 1 32 HIS HA H -3.302 -2.035 8.134 1.00 . A A . 32 HIS HA 1 1 3 2413 1 1 32 HIS HB2 H -5.437 -2.959 9.075 1.00 . A A . 32 HIS HB2 1 1 3 2414 1 1 32 HIS HB3 H -5.203 -4.347 7.926 1.00 . A A . 32 HIS HB3 1 1 3 2415 1 1 32 HIS HD1 H -2.733 -5.423 8.183 1.00 . A A . 32 HIS HD1 1 1 3 2416 1 1 32 HIS HD2 H -3.811 -2.946 11.387 1.00 . A A . 32 HIS HD2 1 1 3 2417 1 1 32 HIS HE1 H -1.010 -5.721 9.954 1.00 . A A . 32 HIS HE1 1 1 3 2418 1 1 32 HIS HE2 H -1.686 -4.216 11.894 1.00 . A A . 32 HIS HE2 1 1 3 2419 1 1 32 HIS N N -4.935 -1.625 6.939 1.00 . A A . 32 HIS N 1 1 3 2420 1 1 32 HIS ND1 N -2.785 -4.991 9.086 1.00 . A A . 32 HIS ND1 1 1 3 2421 1 1 32 HIS NE2 N -2.209 -4.330 11.049 1.00 . A A . 32 HIS NE2 1 1 3 2422 1 1 32 HIS O O -3.593 -4.166 5.752 1.00 . A A . 32 HIS O 1 1 3 2423 1 1 33 SER C C -0.185 -1.911 4.664 1.00 . A A . 33 SER C 1 1 3 2424 1 1 33 SER CA C -1.620 -2.412 4.687 1.00 . A A . 33 SER CA 1 1 3 2425 1 1 33 SER CB C -2.447 -1.408 3.836 1.00 . A A . 33 SER CB 1 1 3 2426 1 1 33 SER H H -1.974 -1.702 6.670 1.00 . A A . 33 SER H 1 1 3 2427 1 1 33 SER HA H -1.633 -3.398 4.258 1.00 . A A . 33 SER HA 1 1 3 2428 1 1 33 SER HB2 H -3.520 -1.714 3.848 1.00 . A A . 33 SER HB2 1 1 3 2429 1 1 33 SER HB3 H -2.388 -0.399 4.306 1.00 . A A . 33 SER HB3 1 1 3 2430 1 1 33 SER HG H -2.464 -2.039 1.999 1.00 . A A . 33 SER HG 1 1 3 2431 1 1 33 SER N N -2.197 -2.431 6.023 1.00 . A A . 33 SER N 1 1 3 2432 1 1 33 SER O O 0.571 -2.111 3.713 1.00 . A A . 33 SER O 1 1 3 2433 1 1 33 SER OG O -2.017 -1.311 2.476 1.00 . A A . 33 SER OG 1 1 3 2434 1 1 34 ALA C C 2.055 0.224 6.527 1.00 . A A . 34 ALA C 1 1 3 2435 1 1 34 ALA CA C 1.004 0.000 5.469 1.00 . A A . 34 ALA CA 1 1 3 2436 1 1 34 ALA CB C -0.012 1.158 5.530 1.00 . A A . 34 ALA CB 1 1 3 2437 1 1 34 ALA H H -0.229 -1.141 6.584 1.00 . A A . 34 ALA H 1 1 3 2438 1 1 34 ALA HA H 1.511 -0.047 4.513 1.00 . A A . 34 ALA HA 1 1 3 2439 1 1 34 ALA HB1 H -0.602 1.065 6.471 1.00 . A A . 34 ALA HB1 1 1 3 2440 1 1 34 ALA HB2 H -0.724 1.068 4.683 1.00 . A A . 34 ALA HB2 1 1 3 2441 1 1 34 ALA HB3 H 0.446 2.165 5.508 1.00 . A A . 34 ALA HB3 1 1 3 2442 1 1 34 ALA N N 0.217 -1.160 5.691 1.00 . A A . 34 ALA N 1 1 3 2443 1 1 34 ALA O O 2.100 -0.382 7.598 1.00 . A A . 34 ALA O 1 1 3 2444 1 1 35 CYS C C 2.981 2.629 8.270 1.00 . A A . 35 CYS C 1 1 3 2445 1 1 35 CYS CA C 3.752 1.872 7.191 1.00 . A A . 35 CYS CA 1 1 3 2446 1 1 35 CYS CB C 4.623 2.876 6.397 1.00 . A A . 35 CYS CB 1 1 3 2447 1 1 35 CYS H H 2.908 1.634 5.341 1.00 . A A . 35 CYS H 1 1 3 2448 1 1 35 CYS HA H 4.370 1.131 7.683 1.00 . A A . 35 CYS HA 1 1 3 2449 1 1 35 CYS HB2 H 5.314 3.404 7.083 1.00 . A A . 35 CYS HB2 1 1 3 2450 1 1 35 CYS HB3 H 5.249 2.280 5.696 1.00 . A A . 35 CYS HB3 1 1 3 2451 1 1 35 CYS N N 2.905 1.214 6.240 1.00 . A A . 35 CYS N 1 1 3 2452 1 1 35 CYS O O 1.752 2.710 8.263 1.00 . A A . 35 CYS O 1 1 3 2453 1 1 35 CYS SG S 3.665 4.108 5.432 1.00 . A A . 35 CYS SG 1 1 3 2454 1 1 36 ASP C C 2.279 5.231 9.717 1.00 . A A . 36 ASP C 1 1 3 2455 1 1 36 ASP CA C 3.235 4.150 10.233 1.00 . A A . 36 ASP CA 1 1 3 2456 1 1 36 ASP CB C 4.462 4.784 10.972 1.00 . A A . 36 ASP CB 1 1 3 2457 1 1 36 ASP CG C 5.476 5.482 10.066 1.00 . A A . 36 ASP CG 1 1 3 2458 1 1 36 ASP H H 4.703 3.065 9.219 1.00 . A A . 36 ASP H 1 1 3 2459 1 1 36 ASP HA H 2.662 3.567 10.945 1.00 . A A . 36 ASP HA 1 1 3 2460 1 1 36 ASP HB2 H 4.109 5.498 11.737 1.00 . A A . 36 ASP HB2 1 1 3 2461 1 1 36 ASP HB3 H 5.007 3.969 11.487 1.00 . A A . 36 ASP HB3 1 1 3 2462 1 1 36 ASP HD2 H 6.058 6.437 11.679 1.00 . A A . 36 ASP HD2 1 1 3 2463 1 1 36 ASP N N 3.715 3.231 9.217 1.00 . A A . 36 ASP N 1 1 3 2464 1 1 36 ASP O O 1.133 5.355 10.144 1.00 . A A . 36 ASP O 1 1 3 2465 1 1 36 ASP OD1 O 5.558 5.370 8.854 1.00 . A A . 36 ASP OD1 1 1 3 2466 1 1 36 ASP OD2 O 6.336 6.299 10.755 1.00 . A A . 36 ASP OD2 1 1 3 2467 1 1 37 LYS C C 1.054 6.860 7.156 1.00 . A A . 37 LYS C 1 1 3 2468 1 1 37 LYS CA C 2.056 7.194 8.248 1.00 . A A . 37 LYS CA 1 1 3 2469 1 1 37 LYS CB C 3.091 8.227 7.768 1.00 . A A . 37 LYS CB 1 1 3 2470 1 1 37 LYS CD C 3.650 10.603 7.141 1.00 . A A . 37 LYS CD 1 1 3 2471 1 1 37 LYS CE C 3.104 11.974 6.747 1.00 . A A . 37 LYS CE 1 1 3 2472 1 1 37 LYS CG C 2.538 9.639 7.571 1.00 . A A . 37 LYS CG 1 1 3 2473 1 1 37 LYS H H 3.667 5.852 8.417 1.00 . A A . 37 LYS H 1 1 3 2474 1 1 37 LYS HA H 1.492 7.629 9.058 1.00 . A A . 37 LYS HA 1 1 3 2475 1 1 37 LYS HB2 H 3.908 8.280 8.518 1.00 . A A . 37 LYS HB2 1 1 3 2476 1 1 37 LYS HB3 H 3.543 7.889 6.818 1.00 . A A . 37 LYS HB3 1 1 3 2477 1 1 37 LYS HD2 H 4.388 10.717 7.966 1.00 . A A . 37 LYS HD2 1 1 3 2478 1 1 37 LYS HD3 H 4.191 10.171 6.267 1.00 . A A . 37 LYS HD3 1 1 3 2479 1 1 37 LYS HE2 H 2.320 11.862 5.967 1.00 . A A . 37 LYS HE2 1 1 3 2480 1 1 37 LYS HE3 H 2.681 12.496 7.629 1.00 . A A . 37 LYS HE3 1 1 3 2481 1 1 37 LYS HG2 H 1.743 9.611 6.791 1.00 . A A . 37 LYS HG2 1 1 3 2482 1 1 37 LYS HG3 H 2.062 9.988 8.512 1.00 . A A . 37 LYS HG3 1 1 3 2483 1 1 37 LYS HZ1 H 4.563 12.379 5.336 1.00 . A A . 37 LYS HZ1 1 1 3 2484 1 1 37 LYS HZ2 H 4.921 12.957 6.891 1.00 . A A . 37 LYS HZ2 1 1 3 2485 1 1 37 LYS HZ3 H 3.770 13.756 5.933 1.00 . A A . 37 LYS HZ3 1 1 3 2486 1 1 37 LYS N N 2.747 6.031 8.753 1.00 . A A . 37 LYS N 1 1 3 2487 1 1 37 LYS NZ N 4.167 12.828 6.187 1.00 . A A . 37 LYS NZ 1 1 3 2488 1 1 37 LYS O O 1.219 7.172 5.975 1.00 . A A . 37 LYS O 1 1 3 2489 1 1 38 CYS C C -2.187 7.160 6.861 1.00 . A A . 38 CYS C 1 1 3 2490 1 1 38 CYS CA C -1.206 6.013 6.729 1.00 . A A . 38 CYS CA 1 1 3 2491 1 1 38 CYS CB C -1.895 4.677 7.048 1.00 . A A . 38 CYS CB 1 1 3 2492 1 1 38 CYS H H -0.087 5.803 8.468 1.00 . A A . 38 CYS H 1 1 3 2493 1 1 38 CYS HA H -0.892 5.987 5.702 1.00 . A A . 38 CYS HA 1 1 3 2494 1 1 38 CYS HB2 H -1.080 3.915 7.122 1.00 . A A . 38 CYS HB2 1 1 3 2495 1 1 38 CYS HB3 H -2.389 4.744 8.048 1.00 . A A . 38 CYS HB3 1 1 3 2496 1 1 38 CYS N N -0.038 6.187 7.547 1.00 . A A . 38 CYS N 1 1 3 2497 1 1 38 CYS O O -2.891 7.291 7.859 1.00 . A A . 38 CYS O 1 1 3 2498 1 1 38 CYS SG S -3.061 4.247 5.710 1.00 . A A . 38 CYS SG 1 1 3 2499 1 1 39 VAL C C -4.400 8.686 5.013 1.00 . A A . 39 VAL C 1 1 3 2500 1 1 39 VAL CA C -3.176 9.134 5.782 1.00 . A A . 39 VAL CA 1 1 3 2501 1 1 39 VAL CB C -2.492 10.323 5.138 1.00 . A A . 39 VAL CB 1 1 3 2502 1 1 39 VAL CG1 C -1.165 10.555 5.879 1.00 . A A . 39 VAL CG1 1 1 3 2503 1 1 39 VAL CG2 C -2.245 10.125 3.638 1.00 . A A . 39 VAL CG2 1 1 3 2504 1 1 39 VAL H H -1.706 7.916 5.012 1.00 . A A . 39 VAL H 1 1 3 2505 1 1 39 VAL HA H -3.468 9.432 6.777 1.00 . A A . 39 VAL HA 1 1 3 2506 1 1 39 VAL HB H -3.123 11.225 5.244 1.00 . A A . 39 VAL HB 1 1 3 2507 1 1 39 VAL HG11 H -1.351 10.650 6.969 1.00 . A A . 39 VAL HG11 1 1 3 2508 1 1 39 VAL HG12 H -0.688 11.483 5.513 1.00 . A A . 39 VAL HG12 1 1 3 2509 1 1 39 VAL HG13 H -0.454 9.717 5.714 1.00 . A A . 39 VAL HG13 1 1 3 2510 1 1 39 VAL HG21 H -1.751 11.031 3.240 1.00 . A A . 39 VAL HG21 1 1 3 2511 1 1 39 VAL HG22 H -3.204 10.004 3.095 1.00 . A A . 39 VAL HG22 1 1 3 2512 1 1 39 VAL HG23 H -1.602 9.237 3.471 1.00 . A A . 39 VAL HG23 1 1 3 2513 1 1 39 VAL N N -2.267 8.016 5.836 1.00 . A A . 39 VAL N 1 1 3 2514 1 1 39 VAL O O -4.287 7.854 4.116 1.00 . A A . 39 VAL O 1 1 3 2515 1 1 40 CYS C C -7.916 9.555 4.499 1.00 . A A . 40 CYS C 1 1 3 2516 1 1 40 CYS CA C -6.785 8.587 4.686 1.00 . A A . 40 CYS CA 1 1 3 2517 1 1 40 CYS CB C -7.278 7.372 5.483 1.00 . A A . 40 CYS CB 1 1 3 2518 1 1 40 CYS H H -5.791 9.751 6.104 1.00 . A A . 40 CYS H 1 1 3 2519 1 1 40 CYS HA H -6.527 8.261 3.697 1.00 . A A . 40 CYS HA 1 1 3 2520 1 1 40 CYS HB2 H -6.365 6.778 5.690 1.00 . A A . 40 CYS HB2 1 1 3 2521 1 1 40 CYS HB3 H -7.684 7.722 6.457 1.00 . A A . 40 CYS HB3 1 1 3 2522 1 1 40 CYS N N -5.620 9.153 5.324 1.00 . A A . 40 CYS N 1 1 3 2523 1 1 40 CYS O O -8.639 9.919 5.422 1.00 . A A . 40 CYS O 1 1 3 2524 1 1 40 CYS SG S -8.454 6.333 4.563 1.00 . A A . 40 CYS SG 1 1 3 2525 1 1 41 ALA C C -10.540 9.987 2.915 1.00 . A A . 41 ALA C 1 1 3 2526 1 1 41 ALA CA C -9.240 10.758 2.824 1.00 . A A . 41 ALA CA 1 1 3 2527 1 1 41 ALA CB C -9.051 11.369 1.435 1.00 . A A . 41 ALA CB 1 1 3 2528 1 1 41 ALA H H -7.529 9.574 2.528 1.00 . A A . 41 ALA H 1 1 3 2529 1 1 41 ALA HA H -9.335 11.590 3.510 1.00 . A A . 41 ALA HA 1 1 3 2530 1 1 41 ALA HB1 H -8.045 11.830 1.359 1.00 . A A . 41 ALA HB1 1 1 3 2531 1 1 41 ALA HB2 H -9.805 12.168 1.273 1.00 . A A . 41 ALA HB2 1 1 3 2532 1 1 41 ALA HB3 H -9.162 10.609 0.639 1.00 . A A . 41 ALA HB3 1 1 3 2533 1 1 41 ALA N N -8.102 9.972 3.239 1.00 . A A . 41 ALA N 1 1 3 2534 1 1 41 ALA O O -10.662 8.860 2.438 1.00 . A A . 41 ALA O 1 1 3 2535 1 1 42 TYR C C -13.851 9.985 2.837 1.00 . A A . 42 TYR C 1 1 3 2536 1 1 42 TYR CA C -12.813 10.039 3.944 1.00 . A A . 42 TYR CA 1 1 3 2537 1 1 42 TYR CB C -13.313 10.795 5.195 1.00 . A A . 42 TYR CB 1 1 3 2538 1 1 42 TYR CD1 C -12.403 13.169 5.048 1.00 . A A . 42 TYR CD1 1 1 3 2539 1 1 42 TYR CD2 C -14.740 12.786 4.555 1.00 . A A . 42 TYR CD2 1 1 3 2540 1 1 42 TYR CE1 C -12.568 14.529 4.761 1.00 . A A . 42 TYR CE1 1 1 3 2541 1 1 42 TYR CE2 C -14.906 14.148 4.276 1.00 . A A . 42 TYR CE2 1 1 3 2542 1 1 42 TYR CG C -13.487 12.278 4.941 1.00 . A A . 42 TYR CG 1 1 3 2543 1 1 42 TYR CZ C -13.819 15.016 4.384 1.00 . A A . 42 TYR CZ 1 1 3 2544 1 1 42 TYR H H -11.435 11.562 3.772 1.00 . A A . 42 TYR H 1 1 3 2545 1 1 42 TYR HA H -12.617 9.023 4.226 1.00 . A A . 42 TYR HA 1 1 3 2546 1 1 42 TYR HB2 H -14.265 10.358 5.566 1.00 . A A . 42 TYR HB2 1 1 3 2547 1 1 42 TYR HB3 H -12.533 10.661 5.976 1.00 . A A . 42 TYR HB3 1 1 3 2548 1 1 42 TYR HD1 H -11.423 12.822 5.333 1.00 . A A . 42 TYR HD1 1 1 3 2549 1 1 42 TYR HD2 H -15.593 12.131 4.465 1.00 . A A . 42 TYR HD2 1 1 3 2550 1 1 42 TYR HE1 H -11.718 15.190 4.830 1.00 . A A . 42 TYR HE1 1 1 3 2551 1 1 42 TYR HE2 H -15.880 14.521 4.005 1.00 . A A . 42 TYR HE2 1 1 3 2552 1 1 42 TYR HH H -13.304 16.839 4.674 1.00 . A A . 42 TYR HH 1 1 3 2553 1 1 42 TYR N N -11.551 10.609 3.525 1.00 . A A . 42 TYR N 1 1 3 2554 1 1 42 TYR O O -15.063 10.079 3.030 1.00 . A A . 42 TYR O 1 1 3 2555 1 1 42 TYR OH O -13.988 16.389 4.147 1.00 . A A . 42 TYR OH 1 1 3 2556 1 1 43 SER C C -14.911 8.381 0.333 1.00 . A A . 43 SER C 1 1 3 2557 1 1 43 SER CA C -14.042 9.621 0.367 1.00 . A A . 43 SER CA 1 1 3 2558 1 1 43 SER CB C -13.050 9.623 -0.830 1.00 . A A . 43 SER CB 1 1 3 2559 1 1 43 SER H H -12.355 9.766 1.595 1.00 . A A . 43 SER H 1 1 3 2560 1 1 43 SER HA H -14.710 10.452 0.227 1.00 . A A . 43 SER HA 1 1 3 2561 1 1 43 SER HB2 H -12.460 8.675 -0.819 1.00 . A A . 43 SER HB2 1 1 3 2562 1 1 43 SER HB3 H -13.613 9.708 -1.790 1.00 . A A . 43 SER HB3 1 1 3 2563 1 1 43 SER HG H -11.795 10.898 -1.631 1.00 . A A . 43 SER HG 1 1 3 2564 1 1 43 SER N N -13.347 9.818 1.620 1.00 . A A . 43 SER N 1 1 3 2565 1 1 43 SER O O -15.176 7.719 1.332 1.00 . A A . 43 SER O 1 1 3 2566 1 1 43 SER OG O -12.136 10.720 -0.726 1.00 . A A . 43 SER OG 1 1 3 2567 1 1 44 ASN C C -15.971 6.247 -2.393 1.00 . A A . 44 ASN C 1 1 3 2568 1 1 44 ASN CA C -16.232 6.877 -1.031 1.00 . A A . 44 ASN CA 1 1 3 2569 1 1 44 ASN CB C -17.684 7.399 -0.913 1.00 . A A . 44 ASN CB 1 1 3 2570 1 1 44 ASN CG C -18.763 6.341 -1.061 1.00 . A A . 44 ASN CG 1 1 3 2571 1 1 44 ASN H H -15.330 8.637 -1.622 1.00 . A A . 44 ASN H 1 1 3 2572 1 1 44 ASN HA H -16.034 6.156 -0.262 1.00 . A A . 44 ASN HA 1 1 3 2573 1 1 44 ASN HB2 H -17.788 7.877 0.080 1.00 . A A . 44 ASN HB2 1 1 3 2574 1 1 44 ASN HB3 H -17.855 8.175 -1.683 1.00 . A A . 44 ASN HB3 1 1 3 2575 1 1 44 ASN HD21 H -17.889 5.106 0.316 1.00 . A A . 44 ASN HD21 1 1 3 2576 1 1 44 ASN HD22 H -19.312 4.500 -0.444 1.00 . A A . 44 ASN HD22 1 1 3 2577 1 1 44 ASN N N -15.368 8.004 -0.859 1.00 . A A . 44 ASN N 1 1 3 2578 1 1 44 ASN ND2 N -18.598 5.189 -0.381 1.00 . A A . 44 ASN ND2 1 1 3 2579 1 1 44 ASN O O -16.502 6.724 -3.396 1.00 . A A . 44 ASN O 1 1 3 2580 1 1 44 ASN OD1 O -19.784 6.542 -1.726 1.00 . A A . 44 ASN OD1 1 1 3 2581 1 1 45 PRO C C -13.315 5.398 -0.801 1.00 . A A . 45 PRO C 1 1 3 2582 1 1 45 PRO CA C -14.447 4.541 -1.375 1.00 . A A . 45 PRO CA 1 1 3 2583 1 1 45 PRO CB C -13.867 3.275 -2.023 1.00 . A A . 45 PRO CB 1 1 3 2584 1 1 45 PRO CD C -15.300 4.288 -3.638 1.00 . A A . 45 PRO CD 1 1 3 2585 1 1 45 PRO CG C -14.881 2.921 -3.109 1.00 . A A . 45 PRO CG 1 1 3 2586 1 1 45 PRO HA H -15.162 4.310 -0.604 1.00 . A A . 45 PRO HA 1 1 3 2587 1 1 45 PRO HB2 H -12.887 3.483 -2.494 1.00 . A A . 45 PRO HB2 1 1 3 2588 1 1 45 PRO HB3 H -13.716 2.467 -1.289 1.00 . A A . 45 PRO HB3 1 1 3 2589 1 1 45 PRO HD2 H -14.599 4.640 -4.421 1.00 . A A . 45 PRO HD2 1 1 3 2590 1 1 45 PRO HD3 H -16.330 4.260 -4.056 1.00 . A A . 45 PRO HD3 1 1 3 2591 1 1 45 PRO HG2 H -14.471 2.252 -3.890 1.00 . A A . 45 PRO HG2 1 1 3 2592 1 1 45 PRO HG3 H -15.757 2.422 -2.650 1.00 . A A . 45 PRO HG3 1 1 3 2593 1 1 45 PRO N N -15.189 5.170 -2.476 1.00 . A A . 45 PRO N 1 1 3 2594 1 1 45 PRO O O -12.832 6.243 -1.560 1.00 . A A . 45 PRO O 1 1 3 2595 1 1 46 PRO C C -10.460 5.977 0.339 1.00 . A A . 46 PRO C 1 1 3 2596 1 1 46 PRO CA C -11.807 6.099 1.004 1.00 . A A . 46 PRO CA 1 1 3 2597 1 1 46 PRO CB C -11.712 5.649 2.464 1.00 . A A . 46 PRO CB 1 1 3 2598 1 1 46 PRO CD C -13.671 4.669 1.528 1.00 . A A . 46 PRO CD 1 1 3 2599 1 1 46 PRO CG C -13.162 5.345 2.804 1.00 . A A . 46 PRO CG 1 1 3 2600 1 1 46 PRO HA H -12.110 7.132 0.919 1.00 . A A . 46 PRO HA 1 1 3 2601 1 1 46 PRO HB2 H -11.102 4.724 2.562 1.00 . A A . 46 PRO HB2 1 1 3 2602 1 1 46 PRO HB3 H -11.290 6.444 3.113 1.00 . A A . 46 PRO HB3 1 1 3 2603 1 1 46 PRO HD2 H -13.462 3.572 1.574 1.00 . A A . 46 PRO HD2 1 1 3 2604 1 1 46 PRO HD3 H -14.759 4.903 1.405 1.00 . A A . 46 PRO HD3 1 1 3 2605 1 1 46 PRO HG2 H -13.267 4.710 3.705 1.00 . A A . 46 PRO HG2 1 1 3 2606 1 1 46 PRO HG3 H -13.702 6.310 2.949 1.00 . A A . 46 PRO HG3 1 1 3 2607 1 1 46 PRO N N -12.869 5.262 0.452 1.00 . A A . 46 PRO N 1 1 3 2608 1 1 46 PRO O O -10.253 5.132 -0.528 1.00 . A A . 46 PRO O 1 1 3 2609 1 1 47 GLN C C -7.133 6.815 1.104 1.00 . A A . 47 GLN C 1 1 3 2610 1 1 47 GLN CA C -8.229 6.910 0.073 1.00 . A A . 47 GLN CA 1 1 3 2611 1 1 47 GLN CB C -8.073 8.202 -0.756 1.00 . A A . 47 GLN CB 1 1 3 2612 1 1 47 GLN CD C -9.181 7.814 -3.010 1.00 . A A . 47 GLN CD 1 1 3 2613 1 1 47 GLN CG C -9.255 8.556 -1.686 1.00 . A A . 47 GLN CG 1 1 3 2614 1 1 47 GLN H H -9.719 7.548 1.411 1.00 . A A . 47 GLN H 1 1 3 2615 1 1 47 GLN HA H -8.104 6.041 -0.546 1.00 . A A . 47 GLN HA 1 1 3 2616 1 1 47 GLN HB2 H -7.974 9.052 -0.049 1.00 . A A . 47 GLN HB2 1 1 3 2617 1 1 47 GLN HB3 H -7.139 8.140 -1.356 1.00 . A A . 47 GLN HB3 1 1 3 2618 1 1 47 GLN HE21 H -10.035 6.166 -2.185 1.00 . A A . 47 GLN HE21 1 1 3 2619 1 1 47 GLN HE22 H -9.637 6.068 -3.891 1.00 . A A . 47 GLN HE22 1 1 3 2620 1 1 47 GLN HG2 H -10.230 8.370 -1.197 1.00 . A A . 47 GLN HG2 1 1 3 2621 1 1 47 GLN HG3 H -9.198 9.641 -1.915 1.00 . A A . 47 GLN HG3 1 1 3 2622 1 1 47 GLN N N -9.519 6.857 0.711 1.00 . A A . 47 GLN N 1 1 3 2623 1 1 47 GLN NE2 N -9.735 6.588 -3.041 1.00 . A A . 47 GLN NE2 1 1 3 2624 1 1 47 GLN O O -6.409 7.769 1.390 1.00 . A A . 47 GLN O 1 1 3 2625 1 1 47 GLN OE1 O -8.615 8.305 -3.991 1.00 . A A . 47 GLN OE1 1 1 3 2626 1 1 48 CYS C C -4.658 5.022 2.057 1.00 . A A . 48 CYS C 1 1 3 2627 1 1 48 CYS CA C -5.988 5.339 2.700 1.00 . A A . 48 CYS CA 1 1 3 2628 1 1 48 CYS CB C -6.371 4.180 3.647 1.00 . A A . 48 CYS CB 1 1 3 2629 1 1 48 CYS H H -7.563 4.859 1.386 1.00 . A A . 48 CYS H 1 1 3 2630 1 1 48 CYS HA H -5.806 6.217 3.291 1.00 . A A . 48 CYS HA 1 1 3 2631 1 1 48 CYS HB2 H -6.629 3.289 3.036 1.00 . A A . 48 CYS HB2 1 1 3 2632 1 1 48 CYS HB3 H -5.458 3.944 4.235 1.00 . A A . 48 CYS HB3 1 1 3 2633 1 1 48 CYS N N -7.005 5.627 1.709 1.00 . A A . 48 CYS N 1 1 3 2634 1 1 48 CYS O O -4.558 4.080 1.275 1.00 . A A . 48 CYS O 1 1 3 2635 1 1 48 CYS SG S -7.722 4.467 4.849 1.00 . A A . 48 CYS SG 1 1 3 2636 1 1 49 GLN C C -1.139 5.818 2.690 1.00 . A A . 49 GLN C 1 1 3 2637 1 1 49 GLN CA C -2.319 5.705 1.744 1.00 . A A . 49 GLN CA 1 1 3 2638 1 1 49 GLN CB C -2.173 6.805 0.681 1.00 . A A . 49 GLN CB 1 1 3 2639 1 1 49 GLN CD C -1.151 7.476 -1.517 1.00 . A A . 49 GLN CD 1 1 3 2640 1 1 49 GLN CG C -1.158 6.430 -0.413 1.00 . A A . 49 GLN CG 1 1 3 2641 1 1 49 GLN H H -3.717 6.574 2.998 1.00 . A A . 49 GLN H 1 1 3 2642 1 1 49 GLN HA H -2.252 4.739 1.283 1.00 . A A . 49 GLN HA 1 1 3 2643 1 1 49 GLN HB2 H -3.171 6.954 0.220 1.00 . A A . 49 GLN HB2 1 1 3 2644 1 1 49 GLN HB3 H -1.905 7.772 1.156 1.00 . A A . 49 GLN HB3 1 1 3 2645 1 1 49 GLN HE21 H -1.717 6.107 -2.920 1.00 . A A . 49 GLN HE21 1 1 3 2646 1 1 49 GLN HE22 H -1.430 7.725 -3.501 1.00 . A A . 49 GLN HE22 1 1 3 2647 1 1 49 GLN HG2 H -0.135 6.374 0.015 1.00 . A A . 49 GLN HG2 1 1 3 2648 1 1 49 GLN HG3 H -1.431 5.441 -0.836 1.00 . A A . 49 GLN HG3 1 1 3 2649 1 1 49 GLN N N -3.606 5.802 2.371 1.00 . A A . 49 GLN N 1 1 3 2650 1 1 49 GLN NE2 N -1.478 7.059 -2.753 1.00 . A A . 49 GLN NE2 1 1 3 2651 1 1 49 GLN O O -1.054 6.710 3.529 1.00 . A A . 49 GLN O 1 1 3 2652 1 1 49 GLN OE1 O -0.863 8.652 -1.289 1.00 . A A . 49 GLN OE1 1 1 3 2653 1 1 50 CYS C C 2.070 5.964 2.590 1.00 . A A . 50 CYS C 1 1 3 2654 1 1 50 CYS CA C 1.140 4.923 3.188 1.00 . A A . 50 CYS CA 1 1 3 2655 1 1 50 CYS CB C 1.754 3.491 3.063 1.00 . A A . 50 CYS CB 1 1 3 2656 1 1 50 CYS H H -0.295 4.234 1.809 1.00 . A A . 50 CYS H 1 1 3 2657 1 1 50 CYS HA H 1.008 5.222 4.222 1.00 . A A . 50 CYS HA 1 1 3 2658 1 1 50 CYS HB2 H 1.077 2.779 3.575 1.00 . A A . 50 CYS HB2 1 1 3 2659 1 1 50 CYS HB3 H 1.717 3.213 1.988 1.00 . A A . 50 CYS HB3 1 1 3 2660 1 1 50 CYS N N -0.154 4.921 2.515 1.00 . A A . 50 CYS N 1 1 3 2661 1 1 50 CYS O O 2.887 5.675 1.725 1.00 . A A . 50 CYS O 1 1 3 2662 1 1 50 CYS SG S 3.482 3.231 3.609 1.00 . A A . 50 CYS SG 1 1 3 2663 1 1 51 TYR C C 4.213 8.173 2.724 1.00 . A A . 51 TYR C 1 1 3 2664 1 1 51 TYR CA C 2.706 8.394 2.695 1.00 . A A . 51 TYR CA 1 1 3 2665 1 1 51 TYR CB C 2.261 9.528 3.657 1.00 . A A . 51 TYR CB 1 1 3 2666 1 1 51 TYR CD1 C 3.843 11.427 3.027 1.00 . A A . 51 TYR CD1 1 1 3 2667 1 1 51 TYR CD2 C 1.466 11.834 3.067 1.00 . A A . 51 TYR CD2 1 1 3 2668 1 1 51 TYR CE1 C 4.074 12.781 2.767 1.00 . A A . 51 TYR CE1 1 1 3 2669 1 1 51 TYR CE2 C 1.693 13.183 2.811 1.00 . A A . 51 TYR CE2 1 1 3 2670 1 1 51 TYR CG C 2.536 10.935 3.196 1.00 . A A . 51 TYR CG 1 1 3 2671 1 1 51 TYR CZ C 2.996 13.670 2.673 1.00 . A A . 51 TYR CZ 1 1 3 2672 1 1 51 TYR H H 1.320 7.329 3.842 1.00 . A A . 51 TYR H 1 1 3 2673 1 1 51 TYR HA H 2.440 8.650 1.683 1.00 . A A . 51 TYR HA 1 1 3 2674 1 1 51 TYR HB2 H 1.165 9.438 3.805 1.00 . A A . 51 TYR HB2 1 1 3 2675 1 1 51 TYR HB3 H 2.708 9.404 4.658 1.00 . A A . 51 TYR HB3 1 1 3 2676 1 1 51 TYR HD1 H 4.704 10.796 3.153 1.00 . A A . 51 TYR HD1 1 1 3 2677 1 1 51 TYR HD2 H 0.446 11.528 3.225 1.00 . A A . 51 TYR HD2 1 1 3 2678 1 1 51 TYR HE1 H 5.098 13.112 2.697 1.00 . A A . 51 TYR HE1 1 1 3 2679 1 1 51 TYR HE2 H 0.835 13.829 2.769 1.00 . A A . 51 TYR HE2 1 1 3 2680 1 1 51 TYR HH H 4.154 15.210 2.356 1.00 . A A . 51 TYR HH 1 1 3 2681 1 1 51 TYR N N 1.949 7.211 3.072 1.00 . A A . 51 TYR N 1 1 3 2682 1 1 51 TYR O O 4.964 8.510 1.813 1.00 . A A . 51 TYR O 1 1 3 2683 1 1 51 TYR OH O 3.198 15.055 2.509 1.00 . A A . 51 TYR OH 1 1 3 2684 1 1 52 ASP C C 6.634 6.146 3.437 1.00 . A A . 52 ASP C 1 1 3 2685 1 1 52 ASP CA C 6.077 7.389 4.124 1.00 . A A . 52 ASP CA 1 1 3 2686 1 1 52 ASP CB C 6.275 7.340 5.665 1.00 . A A . 52 ASP CB 1 1 3 2687 1 1 52 ASP CG C 7.738 7.285 6.057 1.00 . A A . 52 ASP CG 1 1 3 2688 1 1 52 ASP H H 3.981 7.188 4.428 1.00 . A A . 52 ASP H 1 1 3 2689 1 1 52 ASP HA H 6.623 8.239 3.728 1.00 . A A . 52 ASP HA 1 1 3 2690 1 1 52 ASP HB2 H 5.863 8.273 6.109 1.00 . A A . 52 ASP HB2 1 1 3 2691 1 1 52 ASP HB3 H 5.741 6.467 6.094 1.00 . A A . 52 ASP HB3 1 1 3 2692 1 1 52 ASP HD2 H 8.903 6.543 7.344 1.00 . A A . 52 ASP HD2 1 1 3 2693 1 1 52 ASP N N 4.674 7.571 3.824 1.00 . A A . 52 ASP N 1 1 3 2694 1 1 52 ASP O O 6.144 5.031 3.599 1.00 . A A . 52 ASP O 1 1 3 2695 1 1 52 ASP OD1 O 8.644 7.884 5.509 1.00 . A A . 52 ASP OD1 1 1 3 2696 1 1 52 ASP OD2 O 7.958 6.470 7.122 1.00 . A A . 52 ASP OD2 1 1 3 2697 1 1 53 THR C C 9.172 4.353 3.053 1.00 . A A . 53 THR C 1 1 3 2698 1 1 53 THR CA C 8.418 5.196 2.043 1.00 . A A . 53 THR CA 1 1 3 2699 1 1 53 THR CB C 9.353 5.613 0.936 1.00 . A A . 53 THR CB 1 1 3 2700 1 1 53 THR CG2 C 8.544 6.099 -0.269 1.00 . A A . 53 THR CG2 1 1 3 2701 1 1 53 THR H H 8.123 7.207 2.508 1.00 . A A . 53 THR H 1 1 3 2702 1 1 53 THR HA H 7.678 4.549 1.605 1.00 . A A . 53 THR HA 1 1 3 2703 1 1 53 THR HB H 9.956 4.733 0.619 1.00 . A A . 53 THR HB 1 1 3 2704 1 1 53 THR HG1 H 10.429 7.141 0.505 1.00 . A A . 53 THR HG1 1 1 3 2705 1 1 53 THR HG21 H 7.932 6.990 -0.010 1.00 . A A . 53 THR HG21 1 1 3 2706 1 1 53 THR HG22 H 7.872 5.292 -0.624 1.00 . A A . 53 THR HG22 1 1 3 2707 1 1 53 THR HG23 H 9.217 6.371 -1.111 1.00 . A A . 53 THR HG23 1 1 3 2708 1 1 53 THR N N 7.715 6.309 2.660 1.00 . A A . 53 THR N 1 1 3 2709 1 1 53 THR O O 9.826 4.848 3.967 1.00 . A A . 53 THR O 1 1 3 2710 1 1 53 THR OG1 O 10.193 6.687 1.338 1.00 . A A . 53 THR OG1 1 1 3 2711 1 1 54 HIS C C 9.878 0.774 3.446 1.00 . A A . 54 HIS C 1 1 3 2712 1 1 54 HIS CA C 9.474 2.119 4.001 1.00 . A A . 54 HIS CA 1 1 3 2713 1 1 54 HIS CB C 8.424 1.935 5.133 1.00 . A A . 54 HIS CB 1 1 3 2714 1 1 54 HIS CD2 C 9.356 1.161 7.455 1.00 . A A . 54 HIS CD2 1 1 3 2715 1 1 54 HIS CE1 C 8.870 -0.956 7.240 1.00 . A A . 54 HIS CE1 1 1 3 2716 1 1 54 HIS CG C 8.785 0.979 6.241 1.00 . A A . 54 HIS CG 1 1 3 2717 1 1 54 HIS H H 8.723 2.653 2.082 1.00 . A A . 54 HIS H 1 1 3 2718 1 1 54 HIS HA H 10.385 2.527 4.416 1.00 . A A . 54 HIS HA 1 1 3 2719 1 1 54 HIS HB2 H 8.246 2.930 5.593 1.00 . A A . 54 HIS HB2 1 1 3 2720 1 1 54 HIS HB3 H 7.457 1.587 4.711 1.00 . A A . 54 HIS HB3 1 1 3 2721 1 1 54 HIS HD1 H 8.085 -0.817 5.352 1.00 . A A . 54 HIS HD1 1 1 3 2722 1 1 54 HIS HD2 H 9.733 2.053 7.937 1.00 . A A . 54 HIS HD2 1 1 3 2723 1 1 54 HIS HE1 H 8.743 -2.002 7.413 1.00 . A A . 54 HIS HE1 1 1 3 2724 1 1 54 HIS HE2 H 9.776 -0.259 8.968 1.00 . A A . 54 HIS HE2 1 1 3 2725 1 1 54 HIS N N 8.980 3.026 2.977 1.00 . A A . 54 HIS N 1 1 3 2726 1 1 54 HIS ND1 N 8.494 -0.350 6.135 1.00 . A A . 54 HIS ND1 1 1 3 2727 1 1 54 HIS NE2 N 9.395 -0.065 8.061 1.00 . A A . 54 HIS NE2 1 1 3 2728 1 1 54 HIS O O 10.986 0.286 3.637 1.00 . A A . 54 HIS O 1 1 3 2729 1 1 55 LYS C C 9.285 -1.867 1.359 1.00 . A A . 55 LYS C 1 1 3 2730 1 1 55 LYS CA C 8.784 -1.321 2.694 1.00 . A A . 55 LYS CA 1 1 3 2731 1 1 55 LYS CB C 7.303 -1.673 3.014 1.00 . A A . 55 LYS CB 1 1 3 2732 1 1 55 LYS CD C 4.817 -1.224 2.714 1.00 . A A . 55 LYS CD 1 1 3 2733 1 1 55 LYS CE C 3.676 -1.100 1.703 1.00 . A A . 55 LYS CE 1 1 3 2734 1 1 55 LYS CG C 6.207 -1.147 2.065 1.00 . A A . 55 LYS CG 1 1 3 2735 1 1 55 LYS H H 8.002 0.554 2.729 1.00 . A A . 55 LYS H 1 1 3 2736 1 1 55 LYS HA H 9.413 -1.778 3.443 1.00 . A A . 55 LYS HA 1 1 3 2737 1 1 55 LYS HB2 H 7.185 -2.762 3.181 1.00 . A A . 55 LYS HB2 1 1 3 2738 1 1 55 LYS HB3 H 7.091 -1.222 4.005 1.00 . A A . 55 LYS HB3 1 1 3 2739 1 1 55 LYS HD2 H 4.714 -2.193 3.257 1.00 . A A . 55 LYS HD2 1 1 3 2740 1 1 55 LYS HD3 H 4.730 -0.416 3.472 1.00 . A A . 55 LYS HD3 1 1 3 2741 1 1 55 LYS HE2 H 2.695 -1.056 2.222 1.00 . A A . 55 LYS HE2 1 1 3 2742 1 1 55 LYS HE3 H 3.806 -0.186 1.085 1.00 . A A . 55 LYS HE3 1 1 3 2743 1 1 55 LYS HG2 H 6.388 -0.103 1.740 1.00 . A A . 55 LYS HG2 1 1 3 2744 1 1 55 LYS HG3 H 6.210 -1.766 1.144 1.00 . A A . 55 LYS HG3 1 1 3 2745 1 1 55 LYS HZ1 H 3.541 -3.139 1.367 1.00 . A A . 55 LYS HZ1 1 1 3 2746 1 1 55 LYS HZ2 H 4.565 -2.333 0.287 1.00 . A A . 55 LYS HZ2 1 1 3 2747 1 1 55 LYS HZ3 H 2.877 -2.196 0.119 1.00 . A A . 55 LYS HZ3 1 1 3 2748 1 1 55 LYS N N 8.871 0.105 2.861 1.00 . A A . 55 LYS N 1 1 3 2749 1 1 55 LYS NZ N 3.662 -2.275 0.800 1.00 . A A . 55 LYS NZ 1 1 3 2750 1 1 55 LYS O O 10.377 -1.555 0.896 1.00 . A A . 55 LYS O 1 1 3 2751 1 1 56 PHE C C 7.499 -3.720 -1.221 1.00 . A A . 56 PHE C 1 1 3 2752 1 1 56 PHE CA C 8.819 -3.395 -0.534 1.00 . A A . 56 PHE CA 1 1 3 2753 1 1 56 PHE CB C 9.704 -4.653 -0.306 1.00 . A A . 56 PHE CB 1 1 3 2754 1 1 56 PHE CD1 C 8.926 -5.551 1.944 1.00 . A A . 56 PHE CD1 1 1 3 2755 1 1 56 PHE CD2 C 8.628 -6.925 -0.021 1.00 . A A . 56 PHE CD2 1 1 3 2756 1 1 56 PHE CE1 C 8.357 -6.552 2.734 1.00 . A A . 56 PHE CE1 1 1 3 2757 1 1 56 PHE CE2 C 8.094 -7.943 0.772 1.00 . A A . 56 PHE CE2 1 1 3 2758 1 1 56 PHE CG C 9.058 -5.716 0.553 1.00 . A A . 56 PHE CG 1 1 3 2759 1 1 56 PHE CZ C 7.953 -7.754 2.149 1.00 . A A . 56 PHE CZ 1 1 3 2760 1 1 56 PHE H H 7.616 -2.982 1.088 1.00 . A A . 56 PHE H 1 1 3 2761 1 1 56 PHE HA H 9.351 -2.705 -1.174 1.00 . A A . 56 PHE HA 1 1 3 2762 1 1 56 PHE HB2 H 10.007 -5.097 -1.278 1.00 . A A . 56 PHE HB2 1 1 3 2763 1 1 56 PHE HB3 H 10.641 -4.337 0.207 1.00 . A A . 56 PHE HB3 1 1 3 2764 1 1 56 PHE HD1 H 9.273 -4.652 2.429 1.00 . A A . 56 PHE HD1 1 1 3 2765 1 1 56 PHE HD2 H 8.722 -7.095 -1.080 1.00 . A A . 56 PHE HD2 1 1 3 2766 1 1 56 PHE HE1 H 8.249 -6.401 3.801 1.00 . A A . 56 PHE HE1 1 1 3 2767 1 1 56 PHE HE2 H 7.798 -8.876 0.317 1.00 . A A . 56 PHE HE2 1 1 3 2768 1 1 56 PHE HZ H 7.538 -8.539 2.763 1.00 . A A . 56 PHE HZ 1 1 3 2769 1 1 56 PHE N N 8.502 -2.741 0.710 1.00 . A A . 56 PHE N 1 1 3 2770 1 1 56 PHE O O 6.425 -3.362 -0.731 1.00 . A A . 56 PHE O 1 1 3 2771 1 1 57 CYS C C 5.758 -6.144 -2.398 1.00 . A A . 57 CYS C 1 1 3 2772 1 1 57 CYS CA C 6.295 -4.869 -3.021 1.00 . A A . 57 CYS CA 1 1 3 2773 1 1 57 CYS CB C 6.477 -5.035 -4.543 1.00 . A A . 57 CYS CB 1 1 3 2774 1 1 57 CYS H H 8.370 -4.732 -2.782 1.00 . A A . 57 CYS H 1 1 3 2775 1 1 57 CYS HA H 5.518 -4.138 -2.858 1.00 . A A . 57 CYS HA 1 1 3 2776 1 1 57 CYS HB2 H 7.498 -5.410 -4.750 1.00 . A A . 57 CYS HB2 1 1 3 2777 1 1 57 CYS HB3 H 5.764 -5.790 -4.936 1.00 . A A . 57 CYS HB3 1 1 3 2778 1 1 57 CYS N N 7.514 -4.427 -2.366 1.00 . A A . 57 CYS N 1 1 3 2779 1 1 57 CYS O O 5.924 -7.262 -2.888 1.00 . A A . 57 CYS O 1 1 3 2780 1 1 57 CYS SG S 6.167 -3.510 -5.471 1.00 . A A . 57 CYS SG 1 1 3 2781 1 1 58 TYR C C 3.044 -7.372 -1.209 1.00 . A A . 58 TYR C 1 1 3 2782 1 1 58 TYR CA C 4.368 -7.018 -0.551 1.00 . A A . 58 TYR CA 1 1 3 2783 1 1 58 TYR CB C 4.169 -6.567 0.915 1.00 . A A . 58 TYR CB 1 1 3 2784 1 1 58 TYR CD1 C 4.540 -8.757 2.127 1.00 . A A . 58 TYR CD1 1 1 3 2785 1 1 58 TYR CD2 C 2.425 -7.632 2.384 1.00 . A A . 58 TYR CD2 1 1 3 2786 1 1 58 TYR CE1 C 4.101 -9.780 2.975 1.00 . A A . 58 TYR CE1 1 1 3 2787 1 1 58 TYR CE2 C 1.981 -8.658 3.223 1.00 . A A . 58 TYR CE2 1 1 3 2788 1 1 58 TYR CG C 3.713 -7.664 1.836 1.00 . A A . 58 TYR CG 1 1 3 2789 1 1 58 TYR CZ C 2.818 -9.729 3.526 1.00 . A A . 58 TYR CZ 1 1 3 2790 1 1 58 TYR H H 5.000 -5.047 -0.900 1.00 . A A . 58 TYR H 1 1 3 2791 1 1 58 TYR HA H 4.970 -7.918 -0.544 1.00 . A A . 58 TYR HA 1 1 3 2792 1 1 58 TYR HB2 H 5.141 -6.215 1.307 1.00 . A A . 58 TYR HB2 1 1 3 2793 1 1 58 TYR HB3 H 3.444 -5.733 0.949 1.00 . A A . 58 TYR HB3 1 1 3 2794 1 1 58 TYR HD1 H 5.524 -8.835 1.697 1.00 . A A . 58 TYR HD1 1 1 3 2795 1 1 58 TYR HD2 H 1.746 -6.830 2.144 1.00 . A A . 58 TYR HD2 1 1 3 2796 1 1 58 TYR HE1 H 4.765 -10.597 3.192 1.00 . A A . 58 TYR HE1 1 1 3 2797 1 1 58 TYR HE2 H 0.988 -8.599 3.628 1.00 . A A . 58 TYR HE2 1 1 3 2798 1 1 58 TYR HH H 1.419 -10.607 4.543 1.00 . A A . 58 TYR HH 1 1 3 2799 1 1 58 TYR N N 5.057 -5.972 -1.270 1.00 . A A . 58 TYR N 1 1 3 2800 1 1 58 TYR O O 2.524 -6.663 -2.069 1.00 . A A . 58 TYR O 1 1 3 2801 1 1 58 TYR OH O 2.370 -10.740 4.388 1.00 . A A . 58 TYR OH 1 1 3 2802 1 1 59 LYS C C 0.012 -8.275 -1.110 1.00 . A A . 59 LYS C 1 1 3 2803 1 1 59 LYS CA C 1.270 -9.152 -1.182 1.00 . A A . 59 LYS CA 1 1 3 2804 1 1 59 LYS CB C 1.037 -10.438 -0.351 1.00 . A A . 59 LYS CB 1 1 3 2805 1 1 59 LYS CD C 2.482 -12.220 -1.606 1.00 . A A . 59 LYS CD 1 1 3 2806 1 1 59 LYS CE C 3.603 -11.563 -2.421 1.00 . A A . 59 LYS CE 1 1 3 2807 1 1 59 LYS CG C 2.151 -11.507 -0.284 1.00 . A A . 59 LYS CG 1 1 3 2808 1 1 59 LYS H H 2.997 -8.961 -0.051 1.00 . A A . 59 LYS H 1 1 3 2809 1 1 59 LYS HA H 1.365 -9.434 -2.216 1.00 . A A . 59 LYS HA 1 1 3 2810 1 1 59 LYS HB2 H 0.840 -10.120 0.698 1.00 . A A . 59 LYS HB2 1 1 3 2811 1 1 59 LYS HB3 H 0.122 -10.930 -0.746 1.00 . A A . 59 LYS HB3 1 1 3 2812 1 1 59 LYS HD2 H 2.824 -13.251 -1.344 1.00 . A A . 59 LYS HD2 1 1 3 2813 1 1 59 LYS HD3 H 1.561 -12.322 -2.221 1.00 . A A . 59 LYS HD3 1 1 3 2814 1 1 59 LYS HE2 H 3.285 -10.583 -2.834 1.00 . A A . 59 LYS HE2 1 1 3 2815 1 1 59 LYS HE3 H 4.500 -11.421 -1.785 1.00 . A A . 59 LYS HE3 1 1 3 2816 1 1 59 LYS HG2 H 3.082 -11.143 0.192 1.00 . A A . 59 LYS HG2 1 1 3 2817 1 1 59 LYS HG3 H 1.770 -12.295 0.410 1.00 . A A . 59 LYS HG3 1 1 3 2818 1 1 59 LYS HZ1 H 4.373 -13.324 -3.191 1.00 . A A . 59 LYS HZ1 1 1 3 2819 1 1 59 LYS HZ2 H 4.727 -11.949 -4.122 1.00 . A A . 59 LYS HZ2 1 1 3 2820 1 1 59 LYS HZ3 H 3.165 -12.614 -4.153 1.00 . A A . 59 LYS HZ3 1 1 3 2821 1 1 59 LYS N N 2.520 -8.530 -0.806 1.00 . A A . 59 LYS N 1 1 3 2822 1 1 59 LYS NZ N 3.996 -12.426 -3.556 1.00 . A A . 59 LYS NZ 1 1 3 2823 1 1 59 LYS O O -0.108 -7.343 -0.310 1.00 . A A . 59 LYS O 1 1 3 2824 1 1 60 ALA C C -3.388 -8.708 -1.480 1.00 . A A . 60 ALA C 1 1 3 2825 1 1 60 ALA CA C -2.242 -7.905 -2.052 1.00 . A A . 60 ALA CA 1 1 3 2826 1 1 60 ALA CB C -2.549 -7.623 -3.534 1.00 . A A . 60 ALA CB 1 1 3 2827 1 1 60 ALA H H -0.864 -9.329 -2.631 1.00 . A A . 60 ALA H 1 1 3 2828 1 1 60 ALA HA H -2.205 -6.981 -1.493 1.00 . A A . 60 ALA HA 1 1 3 2829 1 1 60 ALA HB1 H -1.744 -7.002 -3.975 1.00 . A A . 60 ALA HB1 1 1 3 2830 1 1 60 ALA HB2 H -3.517 -7.091 -3.660 1.00 . A A . 60 ALA HB2 1 1 3 2831 1 1 60 ALA HB3 H -2.581 -8.581 -4.098 1.00 . A A . 60 ALA HB3 1 1 3 2832 1 1 60 ALA N N -0.978 -8.590 -1.964 1.00 . A A . 60 ALA N 1 1 3 2833 1 1 60 ALA O O -3.376 -9.941 -1.426 1.00 . A A . 60 ALA O 1 1 3 2834 1 1 61 CYS C C -6.756 -7.564 -1.173 1.00 . A A . 61 CYS C 1 1 3 2835 1 1 61 CYS CA C -5.721 -8.577 -0.764 1.00 . A A . 61 CYS CA 1 1 3 2836 1 1 61 CYS CB C -5.965 -9.034 0.703 1.00 . A A . 61 CYS CB 1 1 3 2837 1 1 61 CYS H H -4.472 -7.013 -1.101 1.00 . A A . 61 CYS H 1 1 3 2838 1 1 61 CYS HA H -5.864 -9.402 -1.435 1.00 . A A . 61 CYS HA 1 1 3 2839 1 1 61 CYS HB2 H -6.806 -8.458 1.141 1.00 . A A . 61 CYS HB2 1 1 3 2840 1 1 61 CYS HB3 H -6.290 -10.096 0.672 1.00 . A A . 61 CYS HB3 1 1 3 2841 1 1 61 CYS N N -4.439 -8.000 -1.048 1.00 . A A . 61 CYS N 1 1 3 2842 1 1 61 CYS O O -6.480 -6.372 -1.297 1.00 . A A . 61 CYS O 1 1 3 2843 1 1 61 CYS SG S -4.555 -8.886 1.839 1.00 . A A . 61 CYS SG 1 1 3 2844 1 1 62 HIS C C -9.685 -6.231 -1.065 1.00 . A A . 62 HIS C 1 1 3 2845 1 1 62 HIS CA C -9.040 -7.231 -2.009 1.00 . A A . 62 HIS CA 1 1 3 2846 1 1 62 HIS CB C -10.127 -8.132 -2.625 1.00 . A A . 62 HIS CB 1 1 3 2847 1 1 62 HIS CD2 C -8.872 -9.852 -4.103 1.00 . A A . 62 HIS CD2 1 1 3 2848 1 1 62 HIS CE1 C -8.972 -8.724 -5.971 1.00 . A A . 62 HIS CE1 1 1 3 2849 1 1 62 HIS CG C -9.612 -8.742 -3.888 1.00 . A A . 62 HIS CG 1 1 3 2850 1 1 62 HIS H H -8.138 -9.019 -1.296 1.00 . A A . 62 HIS H 1 1 3 2851 1 1 62 HIS HA H -8.593 -6.658 -2.807 1.00 . A A . 62 HIS HA 1 1 3 2852 1 1 62 HIS HB2 H -10.419 -8.931 -1.915 1.00 . A A . 62 HIS HB2 1 1 3 2853 1 1 62 HIS HB3 H -11.050 -7.573 -2.876 1.00 . A A . 62 HIS HB3 1 1 3 2854 1 1 62 HIS HD1 H -10.032 -7.131 -5.192 1.00 . A A . 62 HIS HD1 1 1 3 2855 1 1 62 HIS HD2 H -8.581 -10.632 -3.409 1.00 . A A . 62 HIS HD2 1 1 3 2856 1 1 62 HIS HE1 H -8.841 -8.413 -6.986 1.00 . A A . 62 HIS HE1 1 1 3 2857 1 1 62 HIS HE2 H -7.906 -10.499 -5.870 1.00 . A A . 62 HIS HE2 1 1 3 2858 1 1 62 HIS N N -7.977 -8.035 -1.438 1.00 . A A . 62 HIS N 1 1 3 2859 1 1 62 HIS ND1 N -9.655 -8.050 -5.064 1.00 . A A . 62 HIS ND1 1 1 3 2860 1 1 62 HIS NE2 N -8.483 -9.820 -5.413 1.00 . A A . 62 HIS NE2 1 1 3 2861 1 1 62 HIS O O -9.582 -6.339 0.153 1.00 . A A . 62 HIS O 1 1 3 2862 1 1 63 ASN C C -11.892 -3.305 -1.907 1.00 . A A . 63 ASN C 1 1 3 2863 1 1 63 ASN CA C -11.165 -4.238 -0.953 1.00 . A A . 63 ASN CA 1 1 3 2864 1 1 63 ASN CB C -10.374 -3.395 0.081 1.00 . A A . 63 ASN CB 1 1 3 2865 1 1 63 ASN CG C -9.249 -2.541 -0.492 1.00 . A A . 63 ASN CG 1 1 3 2866 1 1 63 ASN H H -10.360 -5.124 -2.629 1.00 . A A . 63 ASN H 1 1 3 2867 1 1 63 ASN HA H -11.934 -4.786 -0.456 1.00 . A A . 63 ASN HA 1 1 3 2868 1 1 63 ASN HB2 H -11.093 -2.709 0.569 1.00 . A A . 63 ASN HB2 1 1 3 2869 1 1 63 ASN HB3 H -9.978 -4.065 0.862 1.00 . A A . 63 ASN HB3 1 1 3 2870 1 1 63 ASN HD21 H -7.894 -4.084 -0.539 1.00 . A A . 63 ASN HD21 1 1 3 2871 1 1 63 ASN HD22 H -7.347 -2.599 -1.196 1.00 . A A . 63 ASN HD22 1 1 3 2872 1 1 63 ASN N N -10.381 -5.231 -1.645 1.00 . A A . 63 ASN N 1 1 3 2873 1 1 63 ASN ND2 N -8.058 -3.122 -0.732 1.00 . A A . 63 ASN ND2 1 1 3 2874 1 1 63 ASN O O -13.051 -2.956 -1.710 1.00 . A A . 63 ASN O 1 1 3 2875 1 1 63 ASN OD1 O -9.463 -1.347 -0.738 1.00 . A A . 63 ASN OD1 1 1 3 2876 1 1 64 SER C C -11.934 -2.538 -5.310 1.00 . A A . 64 SER C 1 1 3 2877 1 1 64 SER CA C -11.717 -1.908 -3.940 1.00 . A A . 64 SER CA 1 1 3 2878 1 1 64 SER CB C -10.687 -0.767 -4.104 1.00 . A A . 64 SER CB 1 1 3 2879 1 1 64 SER H H -10.284 -3.216 -3.131 1.00 . A A . 64 SER H 1 1 3 2880 1 1 64 SER HA H -12.666 -1.500 -3.619 1.00 . A A . 64 SER HA 1 1 3 2881 1 1 64 SER HB2 H -9.702 -1.197 -4.395 1.00 . A A . 64 SER HB2 1 1 3 2882 1 1 64 SER HB3 H -11.016 -0.060 -4.897 1.00 . A A . 64 SER HB3 1 1 3 2883 1 1 64 SER HG H -10.133 -0.586 -2.220 1.00 . A A . 64 SER HG 1 1 3 2884 1 1 64 SER N N -11.219 -2.882 -2.982 1.00 . A A . 64 SER N 1 1 3 2885 1 1 64 SER O O -11.557 -1.985 -6.343 1.00 . A A . 64 SER O 1 1 3 2886 1 1 64 SER OG O -10.529 -0.005 -2.903 1.00 . A A . 64 SER OG 1 1 3 2887 1 1 65 GLU C C -13.752 -3.835 -7.585 1.00 . A A . 65 GLU C 1 1 3 2888 1 1 65 GLU CA C -12.895 -4.526 -6.534 1.00 . A A . 65 GLU CA 1 1 3 2889 1 1 65 GLU CB C -13.494 -5.907 -6.156 1.00 . A A . 65 GLU CB 1 1 3 2890 1 1 65 GLU CD C -15.061 -5.294 -4.219 1.00 . A A . 65 GLU CD 1 1 3 2891 1 1 65 GLU CG C -14.942 -5.923 -5.597 1.00 . A A . 65 GLU CG 1 1 3 2892 1 1 65 GLU H H -12.855 -4.138 -4.485 1.00 . A A . 65 GLU H 1 1 3 2893 1 1 65 GLU HA H -11.957 -4.706 -7.029 1.00 . A A . 65 GLU HA 1 1 3 2894 1 1 65 GLU HB2 H -13.481 -6.548 -7.065 1.00 . A A . 65 GLU HB2 1 1 3 2895 1 1 65 GLU HB3 H -12.814 -6.397 -5.428 1.00 . A A . 65 GLU HB3 1 1 3 2896 1 1 65 GLU HE2 H -16.992 -5.272 -4.519 1.00 . A A . 65 GLU HE2 1 1 3 2897 1 1 65 GLU HG2 H -15.630 -5.412 -6.301 1.00 . A A . 65 GLU HG2 1 1 3 2898 1 1 65 GLU HG3 H -15.278 -6.978 -5.502 1.00 . A A . 65 GLU HG3 1 1 3 2899 1 1 65 GLU N N -12.555 -3.736 -5.351 1.00 . A A . 65 GLU N 1 1 3 2900 1 1 65 GLU O O -13.754 -4.187 -8.765 1.00 . A A . 65 GLU O 1 1 3 2901 1 1 65 GLU OE1 O -14.134 -5.093 -3.452 1.00 . A A . 65 GLU OE1 1 1 3 2902 1 1 65 GLU OE2 O -16.337 -4.899 -3.895 1.00 . A A . 65 GLU OE2 1 1 3 2903 1 1 66 ILE C C -15.392 -0.658 -7.042 1.00 . A A . 66 ILE C 1 1 3 2904 1 1 66 ILE CA C -15.364 -1.936 -7.853 1.00 . A A . 66 ILE CA 1 1 3 2905 1 1 66 ILE CB C -16.820 -2.420 -7.962 1.00 . A A . 66 ILE CB 1 1 3 2906 1 1 66 ILE CD1 C -19.011 -2.938 -6.713 1.00 . A A . 66 ILE CD1 1 1 3 2907 1 1 66 ILE CG1 C -17.496 -2.719 -6.600 1.00 . A A . 66 ILE CG1 1 1 3 2908 1 1 66 ILE CG2 C -16.904 -3.644 -8.893 1.00 . A A . 66 ILE CG2 1 1 3 2909 1 1 66 ILE H H -14.344 -2.573 -6.174 1.00 . A A . 66 ILE H 1 1 3 2910 1 1 66 ILE HA H -14.954 -1.718 -8.826 1.00 . A A . 66 ILE HA 1 1 3 2911 1 1 66 ILE HB H -17.398 -1.597 -8.445 1.00 . A A . 66 ILE HB 1 1 3 2912 1 1 66 ILE HD11 H -19.499 -2.059 -7.191 1.00 . A A . 66 ILE HD11 1 1 3 2913 1 1 66 ILE HD12 H -19.456 -3.071 -5.702 1.00 . A A . 66 ILE HD12 1 1 3 2914 1 1 66 ILE HD13 H -19.241 -3.845 -7.310 1.00 . A A . 66 ILE HD13 1 1 3 2915 1 1 66 ILE HG12 H -17.033 -3.625 -6.156 1.00 . A A . 66 ILE HG12 1 1 3 2916 1 1 66 ILE HG13 H -17.337 -1.879 -5.891 1.00 . A A . 66 ILE HG13 1 1 3 2917 1 1 66 ILE HG21 H -17.960 -3.930 -9.074 1.00 . A A . 66 ILE HG21 1 1 3 2918 1 1 66 ILE HG22 H -16.383 -4.514 -8.442 1.00 . A A . 66 ILE HG22 1 1 3 2919 1 1 66 ILE HG23 H -16.441 -3.420 -9.874 1.00 . A A . 66 ILE HG23 1 1 3 2920 1 1 66 ILE N N -14.453 -2.792 -7.134 1.00 . A A . 66 ILE N 1 1 3 2921 1 1 66 ILE O O -15.082 -0.661 -5.848 1.00 . A A . 66 ILE O 1 1 3 2922 1 1 67 GLU C C -17.169 2.488 -7.184 1.00 . A A . 67 GLU C 1 1 3 2923 1 1 67 GLU CA C -15.790 1.770 -7.011 1.00 . A A . 67 GLU CA 1 1 3 2924 1 1 67 GLU CB C -14.625 2.681 -7.472 1.00 . A A . 67 GLU CB 1 1 3 2925 1 1 67 GLU CD C -13.451 3.920 -9.343 1.00 . A A . 67 GLU CD 1 1 3 2926 1 1 67 GLU CG C -14.773 3.327 -8.871 1.00 . A A . 67 GLU CG 1 1 3 2927 1 1 67 GLU H H -15.897 0.442 -8.665 1.00 . A A . 67 GLU H 1 1 3 2928 1 1 67 GLU HA H -15.672 1.622 -5.947 1.00 . A A . 67 GLU HA 1 1 3 2929 1 1 67 GLU HB2 H -14.504 3.493 -6.723 1.00 . A A . 67 GLU HB2 1 1 3 2930 1 1 67 GLU HB3 H -13.697 2.066 -7.433 1.00 . A A . 67 GLU HB3 1 1 3 2931 1 1 67 GLU HE2 H -14.507 4.659 -10.815 1.00 . A A . 67 GLU HE2 1 1 3 2932 1 1 67 GLU HG2 H -15.083 2.580 -9.626 1.00 . A A . 67 GLU HG2 1 1 3 2933 1 1 67 GLU HG3 H -15.534 4.136 -8.838 1.00 . A A . 67 GLU HG3 1 1 3 2934 1 1 67 GLU N N -15.730 0.475 -7.677 1.00 . A A . 67 GLU N 1 1 3 2935 1 1 67 GLU O O -17.542 3.212 -6.080 1.00 . A A . 67 GLU O 1 1 3 2936 1 1 67 GLU OXT O -17.889 2.447 -8.168 1.00 . A A . 67 GLU OXT 1 1 3 2937 1 1 67 GLU OE1 O -12.361 3.761 -8.824 1.00 . A A . 67 GLU OE1 1 1 3 2938 1 1 67 GLU OE2 O -13.585 4.656 -10.497 1.00 . A A . 67 GLU OE2 1 1 3 2939 2 2 1 CL CL CL -1.055 9.279 -5.368 1.00 . B A . 68 CL CL 1 1 3 2940 3 2 1 CL CL CL -0.525 -10.919 -4.396 1.00 . C A . 69 CL CL 1 1 3 2941 4 2 1 CL CL CL -5.072 -8.727 9.971 1.00 . D A . 70 CL CL 1 1 3 2942 5 2 1 CL CL CL -8.892 -4.537 -4.703 1.00 . E A . 71 CL CL 1 1 3 2943 6 2 1 CL CL CL -0.896 -10.433 5.285 1.00 . F A . 72 CL CL 1 1 3 2944 7 2 1 CL CL CL 17.286 6.800 -18.995 1.00 . G A . 73 CL CL 1 1 3 2945 8 2 1 CL CL CL 7.307 14.363 4.941 1.00 . H A . 74 CL CL 1 1 3 2946 9 2 1 CL CL CL 6.830 1.960 9.497 1.00 . I A . 75 CL CL 1 1 3 2947 10 2 1 CL CL CL 9.756 -7.303 -3.830 1.00 . J A . 76 CL CL 1 1 3 2948 11 2 1 CL CL CL 4.494 -9.494 13.358 1.00 . K A . 77 CL CL 1 1 3 2949 12 2 1 CL CL CL 2.353 -3.291 -8.776 1.00 . L A . 78 CL CL 1 1 4 2950 1 1 1 GLY C C -8.138 -12.643 10.165 1.00 . A A . 1 GLY C 1 1 4 2951 1 1 1 GLY CA C -8.338 -13.854 11.016 1.00 . A A . 1 GLY CA 1 1 4 2952 1 1 1 GLY H1 H -8.111 -15.265 9.515 1.00 . A A . 1 GLY H1 1 1 4 2953 1 1 1 GLY H2 H -9.718 -14.786 9.774 1.00 . A A . 1 GLY H2 1 1 4 2954 1 1 1 GLY H3 H -8.955 -15.831 10.875 1.00 . A A . 1 GLY H3 1 1 4 2955 1 1 1 GLY HA2 H -9.100 -13.642 11.750 1.00 . A A . 1 GLY HA2 1 1 4 2956 1 1 1 GLY HA3 H -7.386 -14.133 11.442 1.00 . A A . 1 GLY HA3 1 1 4 2957 1 1 1 GLY N N -8.816 -15.019 10.238 1.00 . A A . 1 GLY N 1 1 4 2958 1 1 1 GLY O O -7.929 -12.723 8.959 1.00 . A A . 1 GLY O 1 1 4 2959 1 1 2 ASP C C -7.711 -9.102 10.998 1.00 . A A . 2 ASP C 1 1 4 2960 1 1 2 ASP CA C -8.141 -10.199 10.036 1.00 . A A . 2 ASP CA 1 1 4 2961 1 1 2 ASP CB C -9.543 -9.918 9.431 1.00 . A A . 2 ASP CB 1 1 4 2962 1 1 2 ASP CG C -9.587 -8.670 8.572 1.00 . A A . 2 ASP CG 1 1 4 2963 1 1 2 ASP H H -8.402 -11.400 11.753 1.00 . A A . 2 ASP H 1 1 4 2964 1 1 2 ASP HA H -7.378 -10.264 9.266 1.00 . A A . 2 ASP HA 1 1 4 2965 1 1 2 ASP HB2 H -9.843 -10.776 8.798 1.00 . A A . 2 ASP HB2 1 1 4 2966 1 1 2 ASP HB3 H -10.284 -9.826 10.252 1.00 . A A . 2 ASP HB3 1 1 4 2967 1 1 2 ASP HD2 H -10.809 -7.293 8.087 1.00 . A A . 2 ASP HD2 1 1 4 2968 1 1 2 ASP N N -8.202 -11.447 10.770 1.00 . A A . 2 ASP N 1 1 4 2969 1 1 2 ASP O O -8.451 -8.169 11.304 1.00 . A A . 2 ASP O 1 1 4 2970 1 1 2 ASP OD1 O -8.640 -8.082 8.085 1.00 . A A . 2 ASP OD1 1 1 4 2971 1 1 2 ASP OD2 O -10.861 -8.189 8.459 1.00 . A A . 2 ASP OD2 1 1 4 2972 1 1 3 ASP C C -4.466 -8.238 12.467 1.00 . A A . 3 ASP C 1 1 4 2973 1 1 3 ASP CA C -5.977 -8.308 12.531 1.00 . A A . 3 ASP CA 1 1 4 2974 1 1 3 ASP CB C -6.470 -8.742 13.930 1.00 . A A . 3 ASP CB 1 1 4 2975 1 1 3 ASP CG C -6.060 -10.160 14.308 1.00 . A A . 3 ASP CG 1 1 4 2976 1 1 3 ASP H H -5.918 -9.985 11.271 1.00 . A A . 3 ASP H 1 1 4 2977 1 1 3 ASP HA H -6.326 -7.308 12.323 1.00 . A A . 3 ASP HA 1 1 4 2978 1 1 3 ASP HB2 H -6.089 -8.032 14.687 1.00 . A A . 3 ASP HB2 1 1 4 2979 1 1 3 ASP HB3 H -7.578 -8.695 13.916 1.00 . A A . 3 ASP HB3 1 1 4 2980 1 1 3 ASP HD2 H -7.178 -9.848 15.863 1.00 . A A . 3 ASP HD2 1 1 4 2981 1 1 3 ASP N N -6.488 -9.210 11.524 1.00 . A A . 3 ASP N 1 1 4 2982 1 1 3 ASP O O -3.757 -8.420 13.457 1.00 . A A . 3 ASP O 1 1 4 2983 1 1 3 ASP OD1 O -5.344 -10.907 13.662 1.00 . A A . 3 ASP OD1 1 1 4 2984 1 1 3 ASP OD2 O -6.592 -10.537 15.511 1.00 . A A . 3 ASP OD2 1 1 4 2985 1 1 4 VAL C C -1.757 -7.161 10.478 1.00 . A A . 4 VAL C 1 1 4 2986 1 1 4 VAL CA C -2.591 -8.362 10.905 1.00 . A A . 4 VAL CA 1 1 4 2987 1 1 4 VAL CB C -2.596 -9.493 9.882 1.00 . A A . 4 VAL CB 1 1 4 2988 1 1 4 VAL CG1 C -2.951 -9.019 8.459 1.00 . A A . 4 VAL CG1 1 1 4 2989 1 1 4 VAL CG2 C -1.291 -10.311 9.948 1.00 . A A . 4 VAL CG2 1 1 4 2990 1 1 4 VAL H H -4.548 -7.720 10.526 1.00 . A A . 4 VAL H 1 1 4 2991 1 1 4 VAL HA H -2.106 -8.768 11.775 1.00 . A A . 4 VAL HA 1 1 4 2992 1 1 4 VAL HB H -3.412 -10.183 10.202 1.00 . A A . 4 VAL HB 1 1 4 2993 1 1 4 VAL HG11 H -2.956 -9.886 7.765 1.00 . A A . 4 VAL HG11 1 1 4 2994 1 1 4 VAL HG12 H -2.229 -8.274 8.072 1.00 . A A . 4 VAL HG12 1 1 4 2995 1 1 4 VAL HG13 H -3.964 -8.566 8.427 1.00 . A A . 4 VAL HG13 1 1 4 2996 1 1 4 VAL HG21 H -1.134 -10.720 10.969 1.00 . A A . 4 VAL HG21 1 1 4 2997 1 1 4 VAL HG22 H -0.405 -9.714 9.665 1.00 . A A . 4 VAL HG22 1 1 4 2998 1 1 4 VAL HG23 H -1.352 -11.170 9.245 1.00 . A A . 4 VAL HG23 1 1 4 2999 1 1 4 VAL N N -3.949 -8.032 11.259 1.00 . A A . 4 VAL N 1 1 4 3000 1 1 4 VAL O O -2.222 -6.210 9.851 1.00 . A A . 4 VAL O 1 1 4 3001 1 1 5 LYS C C 1.126 -6.520 9.032 1.00 . A A . 5 LYS C 1 1 4 3002 1 1 5 LYS CA C 0.589 -6.278 10.432 1.00 . A A . 5 LYS CA 1 1 4 3003 1 1 5 LYS CB C 1.770 -6.369 11.429 1.00 . A A . 5 LYS CB 1 1 4 3004 1 1 5 LYS CD C 2.638 -5.664 13.722 1.00 . A A . 5 LYS CD 1 1 4 3005 1 1 5 LYS CE C 2.617 -4.575 14.800 1.00 . A A . 5 LYS CE 1 1 4 3006 1 1 5 LYS CG C 1.634 -5.386 12.594 1.00 . A A . 5 LYS CG 1 1 4 3007 1 1 5 LYS H H -0.202 -7.892 11.501 1.00 . A A . 5 LYS H 1 1 4 3008 1 1 5 LYS HA H 0.181 -5.284 10.430 1.00 . A A . 5 LYS HA 1 1 4 3009 1 1 5 LYS HB2 H 1.849 -7.407 11.810 1.00 . A A . 5 LYS HB2 1 1 4 3010 1 1 5 LYS HB3 H 2.741 -6.147 10.937 1.00 . A A . 5 LYS HB3 1 1 4 3011 1 1 5 LYS HD2 H 2.397 -6.650 14.184 1.00 . A A . 5 LYS HD2 1 1 4 3012 1 1 5 LYS HD3 H 3.665 -5.727 13.293 1.00 . A A . 5 LYS HD3 1 1 4 3013 1 1 5 LYS HE2 H 2.861 -3.595 14.342 1.00 . A A . 5 LYS HE2 1 1 4 3014 1 1 5 LYS HE3 H 1.619 -4.517 15.283 1.00 . A A . 5 LYS HE3 1 1 4 3015 1 1 5 LYS HG2 H 1.794 -4.359 12.198 1.00 . A A . 5 LYS HG2 1 1 4 3016 1 1 5 LYS HG3 H 0.600 -5.433 12.993 1.00 . A A . 5 LYS HG3 1 1 4 3017 1 1 5 LYS HZ1 H 3.601 -4.072 16.555 1.00 . A A . 5 LYS HZ1 1 1 4 3018 1 1 5 LYS HZ2 H 4.568 -4.895 15.427 1.00 . A A . 5 LYS HZ2 1 1 4 3019 1 1 5 LYS HZ3 H 3.403 -5.745 16.321 1.00 . A A . 5 LYS HZ3 1 1 4 3020 1 1 5 LYS N N -0.461 -7.198 10.832 1.00 . A A . 5 LYS N 1 1 4 3021 1 1 5 LYS NZ N 3.621 -4.840 15.854 1.00 . A A . 5 LYS NZ 1 1 4 3022 1 1 5 LYS O O 2.027 -5.832 8.558 1.00 . A A . 5 LYS O 1 1 4 3023 1 1 6 SER C C 0.469 -6.605 6.002 1.00 . A A . 6 SER C 1 1 4 3024 1 1 6 SER CA C 0.822 -7.762 6.907 1.00 . A A . 6 SER CA 1 1 4 3025 1 1 6 SER CB C 0.065 -8.979 6.333 1.00 . A A . 6 SER CB 1 1 4 3026 1 1 6 SER H H -0.101 -8.067 8.794 1.00 . A A . 6 SER H 1 1 4 3027 1 1 6 SER HA H 1.878 -7.948 6.792 1.00 . A A . 6 SER HA 1 1 4 3028 1 1 6 SER HB2 H -1.033 -8.794 6.353 1.00 . A A . 6 SER HB2 1 1 4 3029 1 1 6 SER HB3 H 0.366 -9.151 5.274 1.00 . A A . 6 SER HB3 1 1 4 3030 1 1 6 SER HG H -0.351 -10.787 6.860 1.00 . A A . 6 SER HG 1 1 4 3031 1 1 6 SER N N 0.581 -7.515 8.326 1.00 . A A . 6 SER N 1 1 4 3032 1 1 6 SER O O -0.648 -6.092 6.016 1.00 . A A . 6 SER O 1 1 4 3033 1 1 6 SER OG O 0.359 -10.147 7.092 1.00 . A A . 6 SER OG 1 1 4 3034 1 1 7 ALA C C 0.331 -5.744 3.000 1.00 . A A . 7 ALA C 1 1 4 3035 1 1 7 ALA CA C 1.162 -5.180 4.139 1.00 . A A . 7 ALA CA 1 1 4 3036 1 1 7 ALA CB C 2.488 -4.601 3.625 1.00 . A A . 7 ALA CB 1 1 4 3037 1 1 7 ALA H H 2.348 -6.519 5.212 1.00 . A A . 7 ALA H 1 1 4 3038 1 1 7 ALA HA H 0.599 -4.371 4.572 1.00 . A A . 7 ALA HA 1 1 4 3039 1 1 7 ALA HB1 H 3.125 -5.417 3.235 1.00 . A A . 7 ALA HB1 1 1 4 3040 1 1 7 ALA HB2 H 3.041 -4.109 4.452 1.00 . A A . 7 ALA HB2 1 1 4 3041 1 1 7 ALA HB3 H 2.314 -3.862 2.814 1.00 . A A . 7 ALA HB3 1 1 4 3042 1 1 7 ALA N N 1.415 -6.170 5.156 1.00 . A A . 7 ALA N 1 1 4 3043 1 1 7 ALA O O 0.638 -6.789 2.428 1.00 . A A . 7 ALA O 1 1 4 3044 1 1 8 CYS C C -1.637 -4.665 0.399 1.00 . A A . 8 CYS C 1 1 4 3045 1 1 8 CYS CA C -1.698 -5.545 1.649 1.00 . A A . 8 CYS CA 1 1 4 3046 1 1 8 CYS CB C -3.125 -5.761 2.226 1.00 . A A . 8 CYS CB 1 1 4 3047 1 1 8 CYS H H -1.064 -4.293 3.245 1.00 . A A . 8 CYS H 1 1 4 3048 1 1 8 CYS HA H -1.375 -6.526 1.324 1.00 . A A . 8 CYS HA 1 1 4 3049 1 1 8 CYS HB2 H -3.627 -6.512 1.584 1.00 . A A . 8 CYS HB2 1 1 4 3050 1 1 8 CYS HB3 H -3.019 -6.235 3.229 1.00 . A A . 8 CYS HB3 1 1 4 3051 1 1 8 CYS N N -0.789 -5.074 2.681 1.00 . A A . 8 CYS N 1 1 4 3052 1 1 8 CYS O O -1.961 -3.476 0.425 1.00 . A A . 8 CYS O 1 1 4 3053 1 1 8 CYS SG S -4.198 -4.295 2.378 1.00 . A A . 8 CYS SG 1 1 4 3054 1 1 9 CYS C C -1.113 -5.040 -3.204 1.00 . A A . 9 CYS C 1 1 4 3055 1 1 9 CYS CA C -0.696 -4.424 -1.876 1.00 . A A . 9 CYS CA 1 1 4 3056 1 1 9 CYS CB C 0.839 -4.314 -1.796 1.00 . A A . 9 CYS CB 1 1 4 3057 1 1 9 CYS H H -0.797 -6.159 -0.712 1.00 . A A . 9 CYS H 1 1 4 3058 1 1 9 CYS HA H -1.166 -3.451 -1.853 1.00 . A A . 9 CYS HA 1 1 4 3059 1 1 9 CYS HB2 H 1.237 -5.339 -1.627 1.00 . A A . 9 CYS HB2 1 1 4 3060 1 1 9 CYS HB3 H 1.305 -3.901 -2.713 1.00 . A A . 9 CYS HB3 1 1 4 3061 1 1 9 CYS N N -1.123 -5.204 -0.724 1.00 . A A . 9 CYS N 1 1 4 3062 1 1 9 CYS O O -1.971 -5.903 -3.266 1.00 . A A . 9 CYS O 1 1 4 3063 1 1 9 CYS SG S 1.260 -3.243 -0.406 1.00 . A A . 9 CYS SG 1 1 4 3064 1 1 10 ASP C C 0.172 -4.266 -6.593 1.00 . A A . 10 ASP C 1 1 4 3065 1 1 10 ASP CA C -0.302 -5.278 -5.576 1.00 . A A . 10 ASP CA 1 1 4 3066 1 1 10 ASP CB C -1.327 -6.328 -6.110 1.00 . A A . 10 ASP CB 1 1 4 3067 1 1 10 ASP CG C -2.747 -5.912 -6.451 1.00 . A A . 10 ASP CG 1 1 4 3068 1 1 10 ASP H H 0.018 -3.745 -4.251 1.00 . A A . 10 ASP H 1 1 4 3069 1 1 10 ASP HA H 0.577 -5.871 -5.392 1.00 . A A . 10 ASP HA 1 1 4 3070 1 1 10 ASP HB2 H -0.909 -6.762 -7.038 1.00 . A A . 10 ASP HB2 1 1 4 3071 1 1 10 ASP HB3 H -1.369 -7.159 -5.385 1.00 . A A . 10 ASP HB3 1 1 4 3072 1 1 10 ASP HD2 H -3.003 -5.926 -4.551 1.00 . A A . 10 ASP HD2 1 1 4 3073 1 1 10 ASP N N -0.508 -4.586 -4.312 1.00 . A A . 10 ASP N 1 1 4 3074 1 1 10 ASP O O 1.177 -4.456 -7.269 1.00 . A A . 10 ASP O 1 1 4 3075 1 1 10 ASP OD1 O -3.189 -5.773 -7.574 1.00 . A A . 10 ASP OD1 1 1 4 3076 1 1 10 ASP OD2 O -3.547 -5.817 -5.345 1.00 . A A . 10 ASP OD2 1 1 4 3077 1 1 11 THR C C 1.067 -1.247 -6.218 1.00 . A A . 11 THR C 1 1 4 3078 1 1 11 THR CA C 0.108 -1.890 -7.201 1.00 . A A . 11 THR CA 1 1 4 3079 1 1 11 THR CB C -0.913 -0.835 -7.608 1.00 . A A . 11 THR CB 1 1 4 3080 1 1 11 THR CG2 C -0.283 0.373 -8.314 1.00 . A A . 11 THR CG2 1 1 4 3081 1 1 11 THR H H -1.415 -3.038 -6.264 1.00 . A A . 11 THR H 1 1 4 3082 1 1 11 THR HA H 0.670 -2.167 -8.078 1.00 . A A . 11 THR HA 1 1 4 3083 1 1 11 THR HB H -1.472 -0.504 -6.704 1.00 . A A . 11 THR HB 1 1 4 3084 1 1 11 THR HG1 H -2.422 -0.637 -8.780 1.00 . A A . 11 THR HG1 1 1 4 3085 1 1 11 THR HG21 H 0.216 0.056 -9.255 1.00 . A A . 11 THR HG21 1 1 4 3086 1 1 11 THR HG22 H 0.462 0.881 -7.675 1.00 . A A . 11 THR HG22 1 1 4 3087 1 1 11 THR HG23 H -1.061 1.124 -8.571 1.00 . A A . 11 THR HG23 1 1 4 3088 1 1 11 THR N N -0.479 -3.096 -6.619 1.00 . A A . 11 THR N 1 1 4 3089 1 1 11 THR O O 0.787 -1.085 -5.025 1.00 . A A . 11 THR O 1 1 4 3090 1 1 11 THR OG1 O -1.815 -1.372 -8.559 1.00 . A A . 11 THR OG1 1 1 4 3091 1 1 12 CYS C C 4.298 0.368 -6.790 1.00 . A A . 12 CYS C 1 1 4 3092 1 1 12 CYS CA C 3.427 -0.545 -5.956 1.00 . A A . 12 CYS CA 1 1 4 3093 1 1 12 CYS CB C 4.246 -1.839 -5.713 1.00 . A A . 12 CYS CB 1 1 4 3094 1 1 12 CYS H H 2.439 -1.017 -7.693 1.00 . A A . 12 CYS H 1 1 4 3095 1 1 12 CYS HA H 3.193 -0.026 -5.044 1.00 . A A . 12 CYS HA 1 1 4 3096 1 1 12 CYS HB2 H 4.269 -2.376 -6.695 1.00 . A A . 12 CYS HB2 1 1 4 3097 1 1 12 CYS HB3 H 5.288 -1.585 -5.406 1.00 . A A . 12 CYS HB3 1 1 4 3098 1 1 12 CYS N N 2.244 -0.848 -6.721 1.00 . A A . 12 CYS N 1 1 4 3099 1 1 12 CYS O O 4.239 0.387 -8.016 1.00 . A A . 12 CYS O 1 1 4 3100 1 1 12 CYS SG S 3.549 -2.945 -4.447 1.00 . A A . 12 CYS SG 1 1 4 3101 1 1 13 LEU C C 7.055 2.565 -5.952 1.00 . A A . 13 LEU C 1 1 4 3102 1 1 13 LEU CA C 5.833 2.266 -6.778 1.00 . A A . 13 LEU CA 1 1 4 3103 1 1 13 LEU CB C 4.881 3.478 -6.909 1.00 . A A . 13 LEU CB 1 1 4 3104 1 1 13 LEU CD1 C 4.187 5.322 -8.465 1.00 . A A . 13 LEU CD1 1 1 4 3105 1 1 13 LEU CD2 C 6.064 5.753 -6.871 1.00 . A A . 13 LEU CD2 1 1 4 3106 1 1 13 LEU CG C 5.375 4.686 -7.728 1.00 . A A . 13 LEU CG 1 1 4 3107 1 1 13 LEU H H 5.121 1.218 -5.120 1.00 . A A . 13 LEU H 1 1 4 3108 1 1 13 LEU HA H 6.173 1.961 -7.755 1.00 . A A . 13 LEU HA 1 1 4 3109 1 1 13 LEU HB2 H 4.001 3.078 -7.456 1.00 . A A . 13 LEU HB2 1 1 4 3110 1 1 13 LEU HB3 H 4.505 3.789 -5.911 1.00 . A A . 13 LEU HB3 1 1 4 3111 1 1 13 LEU HD11 H 4.528 6.174 -9.091 1.00 . A A . 13 LEU HD11 1 1 4 3112 1 1 13 LEU HD12 H 3.436 5.699 -7.738 1.00 . A A . 13 LEU HD12 1 1 4 3113 1 1 13 LEU HD13 H 3.693 4.575 -9.124 1.00 . A A . 13 LEU HD13 1 1 4 3114 1 1 13 LEU HD21 H 5.345 6.174 -6.135 1.00 . A A . 13 LEU HD21 1 1 4 3115 1 1 13 LEU HD22 H 6.421 6.588 -7.514 1.00 . A A . 13 LEU HD22 1 1 4 3116 1 1 13 LEU HD23 H 6.934 5.345 -6.320 1.00 . A A . 13 LEU HD23 1 1 4 3117 1 1 13 LEU HG H 6.092 4.323 -8.503 1.00 . A A . 13 LEU HG 1 1 4 3118 1 1 13 LEU N N 5.124 1.189 -6.128 1.00 . A A . 13 LEU N 1 1 4 3119 1 1 13 LEU O O 7.075 2.382 -4.735 1.00 . A A . 13 LEU O 1 1 4 3120 1 1 14 CYS C C 10.448 3.910 -6.324 1.00 . A A . 14 CYS C 1 1 4 3121 1 1 14 CYS CA C 9.443 2.857 -5.956 1.00 . A A . 14 CYS CA 1 1 4 3122 1 1 14 CYS CB C 10.062 1.459 -6.235 1.00 . A A . 14 CYS CB 1 1 4 3123 1 1 14 CYS H H 8.156 3.021 -7.597 1.00 . A A . 14 CYS H 1 1 4 3124 1 1 14 CYS HA H 9.297 3.022 -4.916 1.00 . A A . 14 CYS HA 1 1 4 3125 1 1 14 CYS HB2 H 9.228 0.728 -6.279 1.00 . A A . 14 CYS HB2 1 1 4 3126 1 1 14 CYS HB3 H 10.525 1.473 -7.244 1.00 . A A . 14 CYS HB3 1 1 4 3127 1 1 14 CYS N N 8.162 2.941 -6.608 1.00 . A A . 14 CYS N 1 1 4 3128 1 1 14 CYS O O 10.461 4.471 -7.415 1.00 . A A . 14 CYS O 1 1 4 3129 1 1 14 CYS SG S 11.259 0.891 -4.987 1.00 . A A . 14 CYS SG 1 1 4 3130 1 1 15 THR C C 13.626 3.850 -6.212 1.00 . A A . 15 THR C 1 1 4 3131 1 1 15 THR CA C 12.629 4.823 -5.626 1.00 . A A . 15 THR CA 1 1 4 3132 1 1 15 THR CB C 13.291 5.456 -4.406 1.00 . A A . 15 THR CB 1 1 4 3133 1 1 15 THR CG2 C 12.382 6.541 -3.841 1.00 . A A . 15 THR CG2 1 1 4 3134 1 1 15 THR H H 11.262 3.730 -4.474 1.00 . A A . 15 THR H 1 1 4 3135 1 1 15 THR HA H 12.490 5.624 -6.339 1.00 . A A . 15 THR HA 1 1 4 3136 1 1 15 THR HB H 14.259 5.915 -4.729 1.00 . A A . 15 THR HB 1 1 4 3137 1 1 15 THR HG1 H 12.666 4.378 -2.942 1.00 . A A . 15 THR HG1 1 1 4 3138 1 1 15 THR HG21 H 12.133 7.262 -4.646 1.00 . A A . 15 THR HG21 1 1 4 3139 1 1 15 THR HG22 H 12.892 7.093 -3.024 1.00 . A A . 15 THR HG22 1 1 4 3140 1 1 15 THR HG23 H 11.430 6.124 -3.452 1.00 . A A . 15 THR HG23 1 1 4 3141 1 1 15 THR N N 11.362 4.157 -5.371 1.00 . A A . 15 THR N 1 1 4 3142 1 1 15 THR O O 13.968 2.834 -5.611 1.00 . A A . 15 THR O 1 1 4 3143 1 1 15 THR OG1 O 13.536 4.543 -3.344 1.00 . A A . 15 THR OG1 1 1 4 3144 1 1 16 ARG C C 16.535 4.244 -7.258 1.00 . A A . 16 ARG C 1 1 4 3145 1 1 16 ARG CA C 15.363 3.525 -7.884 1.00 . A A . 16 ARG CA 1 1 4 3146 1 1 16 ARG CB C 15.504 3.552 -9.417 1.00 . A A . 16 ARG CB 1 1 4 3147 1 1 16 ARG CD C 14.892 2.386 -11.601 1.00 . A A . 16 ARG CD 1 1 4 3148 1 1 16 ARG CG C 14.562 2.568 -10.117 1.00 . A A . 16 ARG CG 1 1 4 3149 1 1 16 ARG CZ C 14.223 0.593 -13.241 1.00 . A A . 16 ARG CZ 1 1 4 3150 1 1 16 ARG H H 13.816 4.917 -7.945 1.00 . A A . 16 ARG H 1 1 4 3151 1 1 16 ARG HA H 15.377 2.498 -7.561 1.00 . A A . 16 ARG HA 1 1 4 3152 1 1 16 ARG HB2 H 15.334 4.582 -9.794 1.00 . A A . 16 ARG HB2 1 1 4 3153 1 1 16 ARG HB3 H 16.535 3.242 -9.698 1.00 . A A . 16 ARG HB3 1 1 4 3154 1 1 16 ARG HD2 H 14.784 3.338 -12.160 1.00 . A A . 16 ARG HD2 1 1 4 3155 1 1 16 ARG HD3 H 15.931 2.007 -11.706 1.00 . A A . 16 ARG HD3 1 1 4 3156 1 1 16 ARG HE H 13.017 1.328 -11.768 1.00 . A A . 16 ARG HE 1 1 4 3157 1 1 16 ARG HG2 H 14.679 1.585 -9.614 1.00 . A A . 16 ARG HG2 1 1 4 3158 1 1 16 ARG HG3 H 13.512 2.902 -9.976 1.00 . A A . 16 ARG HG3 1 1 4 3159 1 1 16 ARG HH11 H 16.168 1.208 -13.454 1.00 . A A . 16 ARG HH11 1 1 4 3160 1 1 16 ARG HH12 H 15.651 0.002 -14.589 1.00 . A A . 16 ARG HH12 1 1 4 3161 1 1 16 ARG HH21 H 12.351 -0.245 -13.321 1.00 . A A . 16 ARG HH21 1 1 4 3162 1 1 16 ARG HH22 H 13.465 -0.830 -14.512 1.00 . A A . 16 ARG HH22 1 1 4 3163 1 1 16 ARG N N 14.156 4.150 -7.403 1.00 . A A . 16 ARG N 1 1 4 3164 1 1 16 ARG NE N 13.928 1.396 -12.176 1.00 . A A . 16 ARG NE 1 1 4 3165 1 1 16 ARG NH1 N 15.460 0.600 -13.812 1.00 . A A . 16 ARG NH1 1 1 4 3166 1 1 16 ARG NH2 N 13.261 -0.238 -13.733 1.00 . A A . 16 ARG NH2 1 1 4 3167 1 1 16 ARG O O 16.654 5.466 -7.353 1.00 . A A . 16 ARG O 1 1 4 3168 1 1 17 SER C C 19.270 2.994 -5.102 1.00 . A A . 17 SER C 1 1 4 3169 1 1 17 SER CA C 18.379 4.089 -5.667 1.00 . A A . 17 SER CA 1 1 4 3170 1 1 17 SER CB C 17.682 4.865 -4.497 1.00 . A A . 17 SER CB 1 1 4 3171 1 1 17 SER H H 17.328 2.510 -6.568 1.00 . A A . 17 SER H 1 1 4 3172 1 1 17 SER HA H 19.008 4.763 -6.225 1.00 . A A . 17 SER HA 1 1 4 3173 1 1 17 SER HB2 H 16.904 5.531 -4.927 1.00 . A A . 17 SER HB2 1 1 4 3174 1 1 17 SER HB3 H 17.158 4.152 -3.826 1.00 . A A . 17 SER HB3 1 1 4 3175 1 1 17 SER HG H 18.046 6.167 -3.082 1.00 . A A . 17 SER HG 1 1 4 3176 1 1 17 SER N N 17.409 3.500 -6.569 1.00 . A A . 17 SER N 1 1 4 3177 1 1 17 SER O O 19.466 1.937 -5.704 1.00 . A A . 17 SER O 1 1 4 3178 1 1 17 SER OG O 18.585 5.690 -3.758 1.00 . A A . 17 SER OG 1 1 4 3179 1 1 18 GLN C C 20.751 2.643 -1.756 1.00 . A A . 18 GLN C 1 1 4 3180 1 1 18 GLN CA C 20.855 2.449 -3.270 1.00 . A A . 18 GLN CA 1 1 4 3181 1 1 18 GLN CB C 22.246 2.986 -3.695 1.00 . A A . 18 GLN CB 1 1 4 3182 1 1 18 GLN CD C 24.049 3.216 -5.440 1.00 . A A . 18 GLN CD 1 1 4 3183 1 1 18 GLN CG C 22.663 2.659 -5.147 1.00 . A A . 18 GLN CG 1 1 4 3184 1 1 18 GLN H H 19.598 4.101 -3.487 1.00 . A A . 18 GLN H 1 1 4 3185 1 1 18 GLN HA H 20.760 1.405 -3.511 1.00 . A A . 18 GLN HA 1 1 4 3186 1 1 18 GLN HB2 H 22.240 4.092 -3.555 1.00 . A A . 18 GLN HB2 1 1 4 3187 1 1 18 GLN HB3 H 23.019 2.564 -3.014 1.00 . A A . 18 GLN HB3 1 1 4 3188 1 1 18 GLN HE21 H 24.951 1.647 -4.510 1.00 . A A . 18 GLN HE21 1 1 4 3189 1 1 18 GLN HE22 H 26.013 2.911 -5.106 1.00 . A A . 18 GLN HE22 1 1 4 3190 1 1 18 GLN HG2 H 22.671 1.564 -5.319 1.00 . A A . 18 GLN HG2 1 1 4 3191 1 1 18 GLN HG3 H 21.957 3.118 -5.870 1.00 . A A . 18 GLN HG3 1 1 4 3192 1 1 18 GLN N N 19.813 3.216 -3.902 1.00 . A A . 18 GLN N 1 1 4 3193 1 1 18 GLN NE2 N 25.106 2.496 -5.014 1.00 . A A . 18 GLN NE2 1 1 4 3194 1 1 18 GLN O O 21.319 3.595 -1.217 1.00 . A A . 18 GLN O 1 1 4 3195 1 1 18 GLN OE1 O 24.198 4.300 -6.014 1.00 . A A . 18 GLN OE1 1 1 4 3196 1 1 19 PRO C C 17.900 1.357 -2.172 1.00 . A A . 19 PRO C 1 1 4 3197 1 1 19 PRO CA C 19.141 0.748 -1.525 1.00 . A A . 19 PRO CA 1 1 4 3198 1 1 19 PRO CB C 18.765 -0.029 -0.248 1.00 . A A . 19 PRO CB 1 1 4 3199 1 1 19 PRO CD C 20.019 1.881 0.436 1.00 . A A . 19 PRO CD 1 1 4 3200 1 1 19 PRO CG C 18.836 1.015 0.867 1.00 . A A . 19 PRO CG 1 1 4 3201 1 1 19 PRO HA H 19.654 0.131 -2.246 1.00 . A A . 19 PRO HA 1 1 4 3202 1 1 19 PRO HB2 H 17.764 -0.515 -0.310 1.00 . A A . 19 PRO HB2 1 1 4 3203 1 1 19 PRO HB3 H 19.555 -0.796 -0.057 1.00 . A A . 19 PRO HB3 1 1 4 3204 1 1 19 PRO HD2 H 19.893 2.932 0.774 1.00 . A A . 19 PRO HD2 1 1 4 3205 1 1 19 PRO HD3 H 20.972 1.471 0.831 1.00 . A A . 19 PRO HD3 1 1 4 3206 1 1 19 PRO HG2 H 17.907 1.628 0.876 1.00 . A A . 19 PRO HG2 1 1 4 3207 1 1 19 PRO HG3 H 18.983 0.563 1.868 1.00 . A A . 19 PRO HG3 1 1 4 3208 1 1 19 PRO N N 20.044 1.783 -1.024 1.00 . A A . 19 PRO N 1 1 4 3209 1 1 19 PRO O O 17.538 2.478 -1.802 1.00 . A A . 19 PRO O 1 1 4 3210 1 1 20 PRO C C 14.892 0.959 -2.473 1.00 . A A . 20 PRO C 1 1 4 3211 1 1 20 PRO CA C 15.911 1.184 -3.563 1.00 . A A . 20 PRO CA 1 1 4 3212 1 1 20 PRO CB C 15.629 0.308 -4.779 1.00 . A A . 20 PRO CB 1 1 4 3213 1 1 20 PRO CD C 17.570 -0.571 -3.690 1.00 . A A . 20 PRO CD 1 1 4 3214 1 1 20 PRO CG C 16.309 -1.010 -4.432 1.00 . A A . 20 PRO CG 1 1 4 3215 1 1 20 PRO HA H 15.910 2.240 -3.793 1.00 . A A . 20 PRO HA 1 1 4 3216 1 1 20 PRO HB2 H 14.549 0.201 -5.003 1.00 . A A . 20 PRO HB2 1 1 4 3217 1 1 20 PRO HB3 H 16.128 0.757 -5.664 1.00 . A A . 20 PRO HB3 1 1 4 3218 1 1 20 PRO HD2 H 17.838 -1.307 -2.897 1.00 . A A . 20 PRO HD2 1 1 4 3219 1 1 20 PRO HD3 H 18.410 -0.441 -4.409 1.00 . A A . 20 PRO HD3 1 1 4 3220 1 1 20 PRO HG2 H 15.657 -1.587 -3.739 1.00 . A A . 20 PRO HG2 1 1 4 3221 1 1 20 PRO HG3 H 16.522 -1.612 -5.335 1.00 . A A . 20 PRO HG3 1 1 4 3222 1 1 20 PRO N N 17.223 0.734 -3.126 1.00 . A A . 20 PRO N 1 1 4 3223 1 1 20 PRO O O 15.121 0.196 -1.537 1.00 . A A . 20 PRO O 1 1 4 3224 1 1 21 THR C C 11.576 2.267 -1.778 1.00 . A A . 21 THR C 1 1 4 3225 1 1 21 THR CA C 12.960 1.863 -1.330 1.00 . A A . 21 THR CA 1 1 4 3226 1 1 21 THR CB C 13.622 2.880 -0.412 1.00 . A A . 21 THR CB 1 1 4 3227 1 1 21 THR CG2 C 12.650 3.525 0.563 1.00 . A A . 21 THR CG2 1 1 4 3228 1 1 21 THR H H 13.660 2.314 -3.294 1.00 . A A . 21 THR H 1 1 4 3229 1 1 21 THR HA H 12.842 0.925 -0.801 1.00 . A A . 21 THR HA 1 1 4 3230 1 1 21 THR HB H 14.098 3.673 -1.036 1.00 . A A . 21 THR HB 1 1 4 3231 1 1 21 THR HG1 H 15.047 1.585 -0.204 1.00 . A A . 21 THR HG1 1 1 4 3232 1 1 21 THR HG21 H 13.184 4.061 1.376 1.00 . A A . 21 THR HG21 1 1 4 3233 1 1 21 THR HG22 H 12.001 2.745 1.007 1.00 . A A . 21 THR HG22 1 1 4 3234 1 1 21 THR HG23 H 12.036 4.271 0.027 1.00 . A A . 21 THR HG23 1 1 4 3235 1 1 21 THR N N 13.778 1.680 -2.523 1.00 . A A . 21 THR N 1 1 4 3236 1 1 21 THR O O 11.329 3.355 -2.302 1.00 . A A . 21 THR O 1 1 4 3237 1 1 21 THR OG1 O 14.611 2.234 0.378 1.00 . A A . 21 THR OG1 1 1 4 3238 1 1 22 CYS C C 8.237 1.779 -1.432 1.00 . A A . 22 CYS C 1 1 4 3239 1 1 22 CYS CA C 9.355 1.331 -2.342 1.00 . A A . 22 CYS CA 1 1 4 3240 1 1 22 CYS CB C 9.006 0.002 -3.078 1.00 . A A . 22 CYS CB 1 1 4 3241 1 1 22 CYS H H 10.809 0.483 -1.138 1.00 . A A . 22 CYS H 1 1 4 3242 1 1 22 CYS HA H 9.373 2.102 -3.080 1.00 . A A . 22 CYS HA 1 1 4 3243 1 1 22 CYS HB2 H 8.707 -0.760 -2.332 1.00 . A A . 22 CYS HB2 1 1 4 3244 1 1 22 CYS HB3 H 8.133 0.146 -3.743 1.00 . A A . 22 CYS HB3 1 1 4 3245 1 1 22 CYS N N 10.663 1.287 -1.727 1.00 . A A . 22 CYS N 1 1 4 3246 1 1 22 CYS O O 8.426 2.158 -0.275 1.00 . A A . 22 CYS O 1 1 4 3247 1 1 22 CYS SG S 10.349 -0.695 -4.097 1.00 . A A . 22 CYS SG 1 1 4 3248 1 1 23 ARG C C 4.661 1.387 -2.181 1.00 . A A . 23 ARG C 1 1 4 3249 1 1 23 ARG CA C 5.770 1.807 -1.247 1.00 . A A . 23 ARG CA 1 1 4 3250 1 1 23 ARG CB C 5.561 3.223 -0.623 1.00 . A A . 23 ARG CB 1 1 4 3251 1 1 23 ARG CD C 5.452 4.657 -2.800 1.00 . A A . 23 ARG CD 1 1 4 3252 1 1 23 ARG CG C 4.857 4.330 -1.425 1.00 . A A . 23 ARG CG 1 1 4 3253 1 1 23 ARG CZ C 4.206 6.918 -3.112 1.00 . A A . 23 ARG CZ 1 1 4 3254 1 1 23 ARG H H 6.893 1.470 -2.926 1.00 . A A . 23 ARG H 1 1 4 3255 1 1 23 ARG HA H 5.751 1.090 -0.443 1.00 . A A . 23 ARG HA 1 1 4 3256 1 1 23 ARG HB2 H 4.987 3.108 0.324 1.00 . A A . 23 ARG HB2 1 1 4 3257 1 1 23 ARG HB3 H 6.546 3.628 -0.330 1.00 . A A . 23 ARG HB3 1 1 4 3258 1 1 23 ARG HD2 H 6.546 4.475 -2.798 1.00 . A A . 23 ARG HD2 1 1 4 3259 1 1 23 ARG HD3 H 4.981 4.007 -3.564 1.00 . A A . 23 ARG HD3 1 1 4 3260 1 1 23 ARG HE H 5.995 6.415 -3.863 1.00 . A A . 23 ARG HE 1 1 4 3261 1 1 23 ARG HG2 H 3.796 4.042 -1.572 1.00 . A A . 23 ARG HG2 1 1 4 3262 1 1 23 ARG HG3 H 4.880 5.241 -0.784 1.00 . A A . 23 ARG HG3 1 1 4 3263 1 1 23 ARG HH11 H 3.195 5.939 -1.625 1.00 . A A . 23 ARG HH11 1 1 4 3264 1 1 23 ARG HH12 H 2.411 7.359 -2.209 1.00 . A A . 23 ARG HH12 1 1 4 3265 1 1 23 ARG HH21 H 4.986 8.178 -4.509 1.00 . A A . 23 ARG HH21 1 1 4 3266 1 1 23 ARG HH22 H 3.447 8.682 -3.869 1.00 . A A . 23 ARG HH22 1 1 4 3267 1 1 23 ARG N N 7.009 1.617 -1.940 1.00 . A A . 23 ARG N 1 1 4 3268 1 1 23 ARG NE N 5.288 6.086 -3.239 1.00 . A A . 23 ARG NE 1 1 4 3269 1 1 23 ARG NH1 N 3.170 6.711 -2.257 1.00 . A A . 23 ARG NH1 1 1 4 3270 1 1 23 ARG NH2 N 4.204 8.032 -3.901 1.00 . A A . 23 ARG NH2 1 1 4 3271 1 1 23 ARG O O 4.852 1.050 -3.348 1.00 . A A . 23 ARG O 1 1 4 3272 1 1 24 CYS C C 1.194 1.563 -2.195 1.00 . A A . 24 CYS C 1 1 4 3273 1 1 24 CYS CA C 2.331 0.571 -2.109 1.00 . A A . 24 CYS CA 1 1 4 3274 1 1 24 CYS CB C 2.110 -0.561 -1.080 1.00 . A A . 24 CYS CB 1 1 4 3275 1 1 24 CYS H H 3.398 1.650 -0.676 1.00 . A A . 24 CYS H 1 1 4 3276 1 1 24 CYS HA H 2.492 0.183 -3.102 1.00 . A A . 24 CYS HA 1 1 4 3277 1 1 24 CYS HB2 H 2.965 -1.267 -1.186 1.00 . A A . 24 CYS HB2 1 1 4 3278 1 1 24 CYS HB3 H 2.180 -0.147 -0.051 1.00 . A A . 24 CYS HB3 1 1 4 3279 1 1 24 CYS N N 3.480 1.276 -1.608 1.00 . A A . 24 CYS N 1 1 4 3280 1 1 24 CYS O O 1.092 2.456 -1.355 1.00 . A A . 24 CYS O 1 1 4 3281 1 1 24 CYS SG S 0.572 -1.485 -1.122 1.00 . A A . 24 CYS SG 1 1 4 3282 1 1 25 VAL C C -1.363 2.388 -4.809 1.00 . A A . 25 VAL C 1 1 4 3283 1 1 25 VAL CA C -0.278 2.681 -3.767 1.00 . A A . 25 VAL CA 1 1 4 3284 1 1 25 VAL CB C 0.761 3.488 -4.605 1.00 . A A . 25 VAL CB 1 1 4 3285 1 1 25 VAL CG1 C 1.988 4.013 -3.840 1.00 . A A . 25 VAL CG1 1 1 4 3286 1 1 25 VAL CG2 C 1.296 2.646 -5.776 1.00 . A A . 25 VAL CG2 1 1 4 3287 1 1 25 VAL H H 0.432 0.733 -3.842 1.00 . A A . 25 VAL H 1 1 4 3288 1 1 25 VAL HA H -0.706 3.283 -2.986 1.00 . A A . 25 VAL HA 1 1 4 3289 1 1 25 VAL HB H 0.250 4.397 -5.007 1.00 . A A . 25 VAL HB 1 1 4 3290 1 1 25 VAL HG11 H 2.551 4.737 -4.472 1.00 . A A . 25 VAL HG11 1 1 4 3291 1 1 25 VAL HG12 H 2.691 3.184 -3.615 1.00 . A A . 25 VAL HG12 1 1 4 3292 1 1 25 VAL HG13 H 1.681 4.514 -2.899 1.00 . A A . 25 VAL HG13 1 1 4 3293 1 1 25 VAL HG21 H 1.595 1.638 -5.423 1.00 . A A . 25 VAL HG21 1 1 4 3294 1 1 25 VAL HG22 H 2.173 3.155 -6.222 1.00 . A A . 25 VAL HG22 1 1 4 3295 1 1 25 VAL HG23 H 0.536 2.546 -6.577 1.00 . A A . 25 VAL HG23 1 1 4 3296 1 1 25 VAL N N 0.275 1.459 -3.177 1.00 . A A . 25 VAL N 1 1 4 3297 1 1 25 VAL O O -1.716 3.204 -5.661 1.00 . A A . 25 VAL O 1 1 4 3298 1 1 26 ASP C C -4.148 1.538 -3.508 1.00 . A A . 26 ASP C 1 1 4 3299 1 1 26 ASP CA C -3.506 1.280 -4.860 1.00 . A A . 26 ASP CA 1 1 4 3300 1 1 26 ASP CB C -4.078 0.009 -5.538 1.00 . A A . 26 ASP CB 1 1 4 3301 1 1 26 ASP CG C -5.583 0.068 -5.798 1.00 . A A . 26 ASP CG 1 1 4 3302 1 1 26 ASP H H -1.766 0.548 -4.016 1.00 . A A . 26 ASP H 1 1 4 3303 1 1 26 ASP HA H -3.765 2.121 -5.486 1.00 . A A . 26 ASP HA 1 1 4 3304 1 1 26 ASP HB2 H -3.591 -0.130 -6.523 1.00 . A A . 26 ASP HB2 1 1 4 3305 1 1 26 ASP HB3 H -3.869 -0.877 -4.907 1.00 . A A . 26 ASP HB3 1 1 4 3306 1 1 26 ASP HD2 H -6.945 1.216 -6.501 1.00 . A A . 26 ASP HD2 1 1 4 3307 1 1 26 ASP N N -2.075 1.253 -4.639 1.00 . A A . 26 ASP N 1 1 4 3308 1 1 26 ASP O O -3.662 1.166 -2.441 1.00 . A A . 26 ASP O 1 1 4 3309 1 1 26 ASP OD1 O -6.404 -0.761 -5.457 1.00 . A A . 26 ASP OD1 1 1 4 3310 1 1 26 ASP OD2 O -5.974 1.232 -6.416 1.00 . A A . 26 ASP OD2 1 1 4 3311 1 1 27 VAL C C -6.987 1.601 -1.929 1.00 . A A . 27 VAL C 1 1 4 3312 1 1 27 VAL CA C -6.030 2.670 -2.419 1.00 . A A . 27 VAL CA 1 1 4 3313 1 1 27 VAL CB C -6.730 3.938 -2.848 1.00 . A A . 27 VAL CB 1 1 4 3314 1 1 27 VAL CG1 C -7.986 3.652 -3.687 1.00 . A A . 27 VAL CG1 1 1 4 3315 1 1 27 VAL CG2 C -7.033 4.814 -1.638 1.00 . A A . 27 VAL CG2 1 1 4 3316 1 1 27 VAL H H -5.611 2.551 -4.438 1.00 . A A . 27 VAL H 1 1 4 3317 1 1 27 VAL HA H -5.375 2.899 -1.593 1.00 . A A . 27 VAL HA 1 1 4 3318 1 1 27 VAL HB H -6.008 4.490 -3.498 1.00 . A A . 27 VAL HB 1 1 4 3319 1 1 27 VAL HG11 H -8.800 3.248 -3.048 1.00 . A A . 27 VAL HG11 1 1 4 3320 1 1 27 VAL HG12 H -7.775 2.922 -4.495 1.00 . A A . 27 VAL HG12 1 1 4 3321 1 1 27 VAL HG13 H -8.344 4.589 -4.157 1.00 . A A . 27 VAL HG13 1 1 4 3322 1 1 27 VAL HG21 H -7.407 5.797 -1.988 1.00 . A A . 27 VAL HG21 1 1 4 3323 1 1 27 VAL HG22 H -6.126 4.980 -1.020 1.00 . A A . 27 VAL HG22 1 1 4 3324 1 1 27 VAL HG23 H -7.818 4.338 -1.011 1.00 . A A . 27 VAL HG23 1 1 4 3325 1 1 27 VAL N N -5.264 2.248 -3.554 1.00 . A A . 27 VAL N 1 1 4 3326 1 1 27 VAL O O -7.417 0.718 -2.672 1.00 . A A . 27 VAL O 1 1 4 3327 1 1 28 ARG C C -9.246 1.732 0.749 1.00 . A A . 28 ARG C 1 1 4 3328 1 1 28 ARG CA C -8.366 0.831 -0.072 1.00 . A A . 28 ARG CA 1 1 4 3329 1 1 28 ARG CB C -7.842 -0.247 0.905 1.00 . A A . 28 ARG CB 1 1 4 3330 1 1 28 ARG CD C -5.512 -0.964 0.145 1.00 . A A . 28 ARG CD 1 1 4 3331 1 1 28 ARG CG C -6.982 -1.365 0.301 1.00 . A A . 28 ARG CG 1 1 4 3332 1 1 28 ARG CZ C -4.718 -2.403 -1.781 1.00 . A A . 28 ARG CZ 1 1 4 3333 1 1 28 ARG H H -6.906 2.301 0.004 1.00 . A A . 28 ARG H 1 1 4 3334 1 1 28 ARG HA H -8.978 0.400 -0.848 1.00 . A A . 28 ARG HA 1 1 4 3335 1 1 28 ARG HB2 H -7.246 0.260 1.695 1.00 . A A . 28 ARG HB2 1 1 4 3336 1 1 28 ARG HB3 H -8.719 -0.734 1.383 1.00 . A A . 28 ARG HB3 1 1 4 3337 1 1 28 ARG HD2 H -5.385 -0.060 -0.476 1.00 . A A . 28 ARG HD2 1 1 4 3338 1 1 28 ARG HD3 H -5.090 -0.732 1.143 1.00 . A A . 28 ARG HD3 1 1 4 3339 1 1 28 ARG HE H -4.170 -2.647 0.172 1.00 . A A . 28 ARG HE 1 1 4 3340 1 1 28 ARG HG2 H -7.035 -2.236 0.995 1.00 . A A . 28 ARG HG2 1 1 4 3341 1 1 28 ARG HG3 H -7.423 -1.681 -0.667 1.00 . A A . 28 ARG HG3 1 1 4 3342 1 1 28 ARG HH11 H -6.000 -0.918 -2.421 1.00 . A A . 28 ARG HH11 1 1 4 3343 1 1 28 ARG HH12 H -5.420 -1.973 -3.659 1.00 . A A . 28 ARG HH12 1 1 4 3344 1 1 28 ARG HH21 H -3.406 -3.966 -1.553 1.00 . A A . 28 ARG HH21 1 1 4 3345 1 1 28 ARG HH22 H -3.963 -3.705 -3.175 1.00 . A A . 28 ARG HH22 1 1 4 3346 1 1 28 ARG N N -7.317 1.645 -0.630 1.00 . A A . 28 ARG N 1 1 4 3347 1 1 28 ARG NE N -4.727 -2.093 -0.448 1.00 . A A . 28 ARG NE 1 1 4 3348 1 1 28 ARG NH1 N -5.447 -1.705 -2.695 1.00 . A A . 28 ARG NH1 1 1 4 3349 1 1 28 ARG NH2 N -3.956 -3.448 -2.209 1.00 . A A . 28 ARG NH2 1 1 4 3350 1 1 28 ARG O O -8.860 2.853 1.075 1.00 . A A . 28 ARG O 1 1 4 3351 1 1 29 GLU C C -10.258 1.483 3.606 1.00 . A A . 29 GLU C 1 1 4 3352 1 1 29 GLU CA C -11.121 1.620 2.356 1.00 . A A . 29 GLU CA 1 1 4 3353 1 1 29 GLU CB C -12.486 0.904 2.556 1.00 . A A . 29 GLU CB 1 1 4 3354 1 1 29 GLU CD C -12.185 -1.522 1.767 1.00 . A A . 29 GLU CD 1 1 4 3355 1 1 29 GLU CG C -12.920 -0.200 1.555 1.00 . A A . 29 GLU CG 1 1 4 3356 1 1 29 GLU H H -10.703 0.342 0.802 1.00 . A A . 29 GLU H 1 1 4 3357 1 1 29 GLU HA H -11.321 2.678 2.268 1.00 . A A . 29 GLU HA 1 1 4 3358 1 1 29 GLU HB2 H -12.560 0.492 3.584 1.00 . A A . 29 GLU HB2 1 1 4 3359 1 1 29 GLU HB3 H -13.251 1.705 2.482 1.00 . A A . 29 GLU HB3 1 1 4 3360 1 1 29 GLU HE2 H -13.912 -2.372 1.446 1.00 . A A . 29 GLU HE2 1 1 4 3361 1 1 29 GLU HG2 H -14.005 -0.372 1.718 1.00 . A A . 29 GLU HG2 1 1 4 3362 1 1 29 GLU HG3 H -12.793 0.135 0.508 1.00 . A A . 29 GLU HG3 1 1 4 3363 1 1 29 GLU N N -10.442 1.244 1.132 1.00 . A A . 29 GLU N 1 1 4 3364 1 1 29 GLU O O -10.113 2.393 4.418 1.00 . A A . 29 GLU O 1 1 4 3365 1 1 29 GLU OE1 O -11.014 -1.627 2.076 1.00 . A A . 29 GLU OE1 1 1 4 3366 1 1 29 GLU OE2 O -12.987 -2.615 1.571 1.00 . A A . 29 GLU OE2 1 1 4 3367 1 1 30 SER C C -7.510 0.530 5.014 1.00 . A A . 30 SER C 1 1 4 3368 1 1 30 SER CA C -8.828 -0.197 4.838 1.00 . A A . 30 SER CA 1 1 4 3369 1 1 30 SER CB C -8.445 -1.696 4.739 1.00 . A A . 30 SER CB 1 1 4 3370 1 1 30 SER H H -10.053 -0.451 3.151 1.00 . A A . 30 SER H 1 1 4 3371 1 1 30 SER HA H -9.370 -0.043 5.753 1.00 . A A . 30 SER HA 1 1 4 3372 1 1 30 SER HB2 H -7.962 -1.903 3.756 1.00 . A A . 30 SER HB2 1 1 4 3373 1 1 30 SER HB3 H -7.706 -1.953 5.536 1.00 . A A . 30 SER HB3 1 1 4 3374 1 1 30 SER HG H -9.679 -2.676 5.864 1.00 . A A . 30 SER HG 1 1 4 3375 1 1 30 SER N N -9.742 0.257 3.792 1.00 . A A . 30 SER N 1 1 4 3376 1 1 30 SER O O -6.755 0.771 4.074 1.00 . A A . 30 SER O 1 1 4 3377 1 1 30 SER OG O -9.594 -2.529 4.898 1.00 . A A . 30 SER OG 1 1 4 3378 1 1 31 CYS C C -4.898 0.275 6.953 1.00 . A A . 31 CYS C 1 1 4 3379 1 1 31 CYS CA C -5.899 1.404 6.685 1.00 . A A . 31 CYS CA 1 1 4 3380 1 1 31 CYS CB C -6.084 2.406 7.859 1.00 . A A . 31 CYS CB 1 1 4 3381 1 1 31 CYS H H -7.828 0.579 7.006 1.00 . A A . 31 CYS H 1 1 4 3382 1 1 31 CYS HA H -5.513 1.966 5.848 1.00 . A A . 31 CYS HA 1 1 4 3383 1 1 31 CYS HB2 H -6.928 3.081 7.566 1.00 . A A . 31 CYS HB2 1 1 4 3384 1 1 31 CYS HB3 H -6.407 1.830 8.762 1.00 . A A . 31 CYS HB3 1 1 4 3385 1 1 31 CYS N N -7.180 0.839 6.285 1.00 . A A . 31 CYS N 1 1 4 3386 1 1 31 CYS O O -4.983 -0.787 6.345 1.00 . A A . 31 CYS O 1 1 4 3387 1 1 31 CYS SG S -4.655 3.470 8.299 1.00 . A A . 31 CYS SG 1 1 4 3388 1 1 32 HIS C C -1.678 -0.148 8.890 1.00 . A A . 32 HIS C 1 1 4 3389 1 1 32 HIS CA C -2.754 -0.488 7.867 1.00 . A A . 32 HIS CA 1 1 4 3390 1 1 32 HIS CB C -2.029 -0.688 6.495 1.00 . A A . 32 HIS CB 1 1 4 3391 1 1 32 HIS CD2 C -2.482 0.626 4.300 1.00 . A A . 32 HIS CD2 1 1 4 3392 1 1 32 HIS CE1 C -1.915 2.601 5.036 1.00 . A A . 32 HIS CE1 1 1 4 3393 1 1 32 HIS CG C -2.053 0.498 5.579 1.00 . A A . 32 HIS CG 1 1 4 3394 1 1 32 HIS H H -3.817 1.246 8.404 1.00 . A A . 32 HIS H 1 1 4 3395 1 1 32 HIS HA H -3.160 -1.438 8.177 1.00 . A A . 32 HIS HA 1 1 4 3396 1 1 32 HIS HB2 H -0.975 -1.015 6.614 1.00 . A A . 32 HIS HB2 1 1 4 3397 1 1 32 HIS HB3 H -2.591 -1.478 5.954 1.00 . A A . 32 HIS HB3 1 1 4 3398 1 1 32 HIS HD1 H -1.375 1.962 6.930 1.00 . A A . 32 HIS HD1 1 1 4 3399 1 1 32 HIS HD2 H -2.807 -0.136 3.600 1.00 . A A . 32 HIS HD2 1 1 4 3400 1 1 32 HIS HE1 H -1.739 3.648 5.123 1.00 . A A . 32 HIS HE1 1 1 4 3401 1 1 32 HIS HE2 H -2.594 2.358 3.088 1.00 . A A . 32 HIS HE2 1 1 4 3402 1 1 32 HIS N N -3.860 0.458 7.800 1.00 . A A . 32 HIS N 1 1 4 3403 1 1 32 HIS ND1 N -1.689 1.741 6.007 1.00 . A A . 32 HIS ND1 1 1 4 3404 1 1 32 HIS NE2 N -2.392 1.956 3.983 1.00 . A A . 32 HIS NE2 1 1 4 3405 1 1 32 HIS O O -0.875 0.762 8.694 1.00 . A A . 32 HIS O 1 1 4 3406 1 1 33 SER C C 0.862 -1.429 10.290 1.00 . A A . 33 SER C 1 1 4 3407 1 1 33 SER CA C -0.446 -0.998 10.916 1.00 . A A . 33 SER CA 1 1 4 3408 1 1 33 SER CB C -0.641 -2.035 12.061 1.00 . A A . 33 SER CB 1 1 4 3409 1 1 33 SER H H -2.297 -1.637 10.127 1.00 . A A . 33 SER H 1 1 4 3410 1 1 33 SER HA H -0.320 0.000 11.318 1.00 . A A . 33 SER HA 1 1 4 3411 1 1 33 SER HB2 H -1.023 -2.991 11.633 1.00 . A A . 33 SER HB2 1 1 4 3412 1 1 33 SER HB3 H 0.319 -2.256 12.584 1.00 . A A . 33 SER HB3 1 1 4 3413 1 1 33 SER HG H -1.477 -2.239 13.775 1.00 . A A . 33 SER HG 1 1 4 3414 1 1 33 SER N N -1.552 -0.977 9.946 1.00 . A A . 33 SER N 1 1 4 3415 1 1 33 SER O O 1.937 -1.292 10.864 1.00 . A A . 33 SER O 1 1 4 3416 1 1 33 SER OG O -1.546 -1.572 13.058 1.00 . A A . 33 SER OG 1 1 4 3417 1 1 34 ALA C C 2.823 -1.351 7.749 1.00 . A A . 34 ALA C 1 1 4 3418 1 1 34 ALA CA C 1.929 -2.450 8.301 1.00 . A A . 34 ALA CA 1 1 4 3419 1 1 34 ALA CB C 1.365 -3.231 7.104 1.00 . A A . 34 ALA CB 1 1 4 3420 1 1 34 ALA H H -0.080 -2.121 8.649 1.00 . A A . 34 ALA H 1 1 4 3421 1 1 34 ALA HA H 2.530 -3.080 8.934 1.00 . A A . 34 ALA HA 1 1 4 3422 1 1 34 ALA HB1 H 0.807 -2.574 6.404 1.00 . A A . 34 ALA HB1 1 1 4 3423 1 1 34 ALA HB2 H 0.671 -4.025 7.452 1.00 . A A . 34 ALA HB2 1 1 4 3424 1 1 34 ALA HB3 H 2.189 -3.730 6.549 1.00 . A A . 34 ALA HB3 1 1 4 3425 1 1 34 ALA N N 0.807 -1.982 9.068 1.00 . A A . 34 ALA N 1 1 4 3426 1 1 34 ALA O O 3.823 -1.607 7.083 1.00 . A A . 34 ALA O 1 1 4 3427 1 1 35 CYS C C 3.109 2.238 8.264 1.00 . A A . 35 CYS C 1 1 4 3428 1 1 35 CYS CA C 3.113 1.026 7.350 1.00 . A A . 35 CYS CA 1 1 4 3429 1 1 35 CYS CB C 2.368 1.309 6.029 1.00 . A A . 35 CYS CB 1 1 4 3430 1 1 35 CYS H H 1.628 0.092 8.501 1.00 . A A . 35 CYS H 1 1 4 3431 1 1 35 CYS HA H 4.149 0.778 7.174 1.00 . A A . 35 CYS HA 1 1 4 3432 1 1 35 CYS HB2 H 2.059 0.319 5.613 1.00 . A A . 35 CYS HB2 1 1 4 3433 1 1 35 CYS HB3 H 1.438 1.889 6.253 1.00 . A A . 35 CYS HB3 1 1 4 3434 1 1 35 CYS N N 2.443 -0.089 7.961 1.00 . A A . 35 CYS N 1 1 4 3435 1 1 35 CYS O O 2.572 2.210 9.371 1.00 . A A . 35 CYS O 1 1 4 3436 1 1 35 CYS SG S 3.409 2.096 4.771 1.00 . A A . 35 CYS SG 1 1 4 3437 1 1 36 ASP C C 2.512 5.414 8.028 1.00 . A A . 36 ASP C 1 1 4 3438 1 1 36 ASP CA C 3.713 4.615 8.543 1.00 . A A . 36 ASP CA 1 1 4 3439 1 1 36 ASP CB C 5.061 5.370 8.402 1.00 . A A . 36 ASP CB 1 1 4 3440 1 1 36 ASP CG C 6.197 4.377 8.302 1.00 . A A . 36 ASP CG 1 1 4 3441 1 1 36 ASP H H 4.195 3.362 6.951 1.00 . A A . 36 ASP H 1 1 4 3442 1 1 36 ASP HA H 3.553 4.429 9.597 1.00 . A A . 36 ASP HA 1 1 4 3443 1 1 36 ASP HB2 H 5.085 5.940 7.452 1.00 . A A . 36 ASP HB2 1 1 4 3444 1 1 36 ASP HB3 H 5.248 6.043 9.267 1.00 . A A . 36 ASP HB3 1 1 4 3445 1 1 36 ASP HD2 H 6.922 2.927 9.259 1.00 . A A . 36 ASP HD2 1 1 4 3446 1 1 36 ASP N N 3.724 3.352 7.826 1.00 . A A . 36 ASP N 1 1 4 3447 1 1 36 ASP O O 1.428 4.852 7.897 1.00 . A A . 36 ASP O 1 1 4 3448 1 1 36 ASP OD1 O 6.706 4.034 7.255 1.00 . A A . 36 ASP OD1 1 1 4 3449 1 1 36 ASP OD2 O 6.496 3.773 9.486 1.00 . A A . 36 ASP OD2 1 1 4 3450 1 1 37 LYS C C 0.531 7.172 6.344 1.00 . A A . 37 LYS C 1 1 4 3451 1 1 37 LYS CA C 1.696 7.661 7.208 1.00 . A A . 37 LYS CA 1 1 4 3452 1 1 37 LYS CB C 2.463 8.764 6.439 1.00 . A A . 37 LYS CB 1 1 4 3453 1 1 37 LYS CD C 1.045 10.735 7.303 1.00 . A A . 37 LYS CD 1 1 4 3454 1 1 37 LYS CE C 0.485 12.122 6.972 1.00 . A A . 37 LYS CE 1 1 4 3455 1 1 37 LYS CG C 1.682 10.040 6.094 1.00 . A A . 37 LYS CG 1 1 4 3456 1 1 37 LYS H H 3.561 7.153 7.878 1.00 . A A . 37 LYS H 1 1 4 3457 1 1 37 LYS HA H 1.248 8.086 8.091 1.00 . A A . 37 LYS HA 1 1 4 3458 1 1 37 LYS HB2 H 3.336 9.078 7.035 1.00 . A A . 37 LYS HB2 1 1 4 3459 1 1 37 LYS HB3 H 2.882 8.339 5.506 1.00 . A A . 37 LYS HB3 1 1 4 3460 1 1 37 LYS HD2 H 0.226 10.097 7.702 1.00 . A A . 37 LYS HD2 1 1 4 3461 1 1 37 LYS HD3 H 1.817 10.845 8.097 1.00 . A A . 37 LYS HD3 1 1 4 3462 1 1 37 LYS HE2 H 1.288 12.800 6.617 1.00 . A A . 37 LYS HE2 1 1 4 3463 1 1 37 LYS HE3 H -0.304 12.062 6.194 1.00 . A A . 37 LYS HE3 1 1 4 3464 1 1 37 LYS HG2 H 2.386 10.746 5.599 1.00 . A A . 37 LYS HG2 1 1 4 3465 1 1 37 LYS HG3 H 0.906 9.793 5.349 1.00 . A A . 37 LYS HG3 1 1 4 3466 1 1 37 LYS HZ1 H -0.922 12.141 8.486 1.00 . A A . 37 LYS HZ1 1 1 4 3467 1 1 37 LYS HZ2 H -0.448 13.685 7.960 1.00 . A A . 37 LYS HZ2 1 1 4 3468 1 1 37 LYS HZ3 H 0.594 12.767 8.938 1.00 . A A . 37 LYS HZ3 1 1 4 3469 1 1 37 LYS N N 2.681 6.712 7.706 1.00 . A A . 37 LYS N 1 1 4 3470 1 1 37 LYS NZ N -0.116 12.724 8.180 1.00 . A A . 37 LYS NZ 1 1 4 3471 1 1 37 LYS O O 0.562 7.229 5.114 1.00 . A A . 37 LYS O 1 1 4 3472 1 1 38 CYS C C -2.677 7.520 6.257 1.00 . A A . 38 CYS C 1 1 4 3473 1 1 38 CYS CA C -1.794 6.306 6.384 1.00 . A A . 38 CYS CA 1 1 4 3474 1 1 38 CYS CB C -2.472 5.230 7.273 1.00 . A A . 38 CYS CB 1 1 4 3475 1 1 38 CYS H H -0.515 6.546 7.985 1.00 . A A . 38 CYS H 1 1 4 3476 1 1 38 CYS HA H -1.608 5.933 5.388 1.00 . A A . 38 CYS HA 1 1 4 3477 1 1 38 CYS HB2 H -1.719 4.422 7.422 1.00 . A A . 38 CYS HB2 1 1 4 3478 1 1 38 CYS HB3 H -2.633 5.690 8.277 1.00 . A A . 38 CYS HB3 1 1 4 3479 1 1 38 CYS N N -0.548 6.696 6.994 1.00 . A A . 38 CYS N 1 1 4 3480 1 1 38 CYS O O -3.200 8.059 7.236 1.00 . A A . 38 CYS O 1 1 4 3481 1 1 38 CYS SG S -4.048 4.514 6.664 1.00 . A A . 38 CYS SG 1 1 4 3482 1 1 39 VAL C C -4.921 8.643 4.183 1.00 . A A . 39 VAL C 1 1 4 3483 1 1 39 VAL CA C -3.616 9.162 4.722 1.00 . A A . 39 VAL CA 1 1 4 3484 1 1 39 VAL CB C -2.894 9.964 3.681 1.00 . A A . 39 VAL CB 1 1 4 3485 1 1 39 VAL CG1 C -3.565 11.324 3.541 1.00 . A A . 39 VAL CG1 1 1 4 3486 1 1 39 VAL CG2 C -1.463 10.226 4.161 1.00 . A A . 39 VAL CG2 1 1 4 3487 1 1 39 VAL H H -2.403 7.623 4.196 1.00 . A A . 39 VAL H 1 1 4 3488 1 1 39 VAL HA H -3.787 9.776 5.595 1.00 . A A . 39 VAL HA 1 1 4 3489 1 1 39 VAL HB H -2.852 9.392 2.726 1.00 . A A . 39 VAL HB 1 1 4 3490 1 1 39 VAL HG11 H -4.639 11.231 3.297 1.00 . A A . 39 VAL HG11 1 1 4 3491 1 1 39 VAL HG12 H -3.047 11.912 2.754 1.00 . A A . 39 VAL HG12 1 1 4 3492 1 1 39 VAL HG13 H -3.462 11.864 4.508 1.00 . A A . 39 VAL HG13 1 1 4 3493 1 1 39 VAL HG21 H -1.499 10.584 5.212 1.00 . A A . 39 VAL HG21 1 1 4 3494 1 1 39 VAL HG22 H -1.008 11.022 3.532 1.00 . A A . 39 VAL HG22 1 1 4 3495 1 1 39 VAL HG23 H -0.838 9.311 4.095 1.00 . A A . 39 VAL HG23 1 1 4 3496 1 1 39 VAL N N -2.832 8.005 5.023 1.00 . A A . 39 VAL N 1 1 4 3497 1 1 39 VAL O O -4.916 7.807 3.279 1.00 . A A . 39 VAL O 1 1 4 3498 1 1 40 CYS C C -8.485 9.307 4.589 1.00 . A A . 40 CYS C 1 1 4 3499 1 1 40 CYS CA C -7.310 8.390 4.455 1.00 . A A . 40 CYS CA 1 1 4 3500 1 1 40 CYS CB C -7.473 7.159 5.337 1.00 . A A . 40 CYS CB 1 1 4 3501 1 1 40 CYS H H -6.074 9.678 5.541 1.00 . A A . 40 CYS H 1 1 4 3502 1 1 40 CYS HA H -7.276 8.111 3.420 1.00 . A A . 40 CYS HA 1 1 4 3503 1 1 40 CYS HB2 H -6.476 6.671 5.320 1.00 . A A . 40 CYS HB2 1 1 4 3504 1 1 40 CYS HB3 H -7.665 7.478 6.383 1.00 . A A . 40 CYS HB3 1 1 4 3505 1 1 40 CYS N N -6.061 9.023 4.784 1.00 . A A . 40 CYS N 1 1 4 3506 1 1 40 CYS O O -9.296 9.214 5.513 1.00 . A A . 40 CYS O 1 1 4 3507 1 1 40 CYS SG S -8.706 5.992 4.713 1.00 . A A . 40 CYS SG 1 1 4 3508 1 1 41 ALA C C -11.015 10.597 3.331 1.00 . A A . 41 ALA C 1 1 4 3509 1 1 41 ALA CA C -9.659 11.210 3.608 1.00 . A A . 41 ALA CA 1 1 4 3510 1 1 41 ALA CB C -9.380 12.351 2.626 1.00 . A A . 41 ALA CB 1 1 4 3511 1 1 41 ALA H H -7.921 10.206 2.900 1.00 . A A . 41 ALA H 1 1 4 3512 1 1 41 ALA HA H -9.734 11.650 4.592 1.00 . A A . 41 ALA HA 1 1 4 3513 1 1 41 ALA HB1 H -9.312 11.962 1.588 1.00 . A A . 41 ALA HB1 1 1 4 3514 1 1 41 ALA HB2 H -8.418 12.841 2.890 1.00 . A A . 41 ALA HB2 1 1 4 3515 1 1 41 ALA HB3 H -10.183 13.120 2.679 1.00 . A A . 41 ALA HB3 1 1 4 3516 1 1 41 ALA N N -8.586 10.241 3.648 1.00 . A A . 41 ALA N 1 1 4 3517 1 1 41 ALA O O -11.150 9.598 2.628 1.00 . A A . 41 ALA O 1 1 4 3518 1 1 42 TYR C C -14.329 10.732 2.929 1.00 . A A . 42 TYR C 1 1 4 3519 1 1 42 TYR CA C -13.378 10.653 4.109 1.00 . A A . 42 TYR CA 1 1 4 3520 1 1 42 TYR CB C -13.978 11.266 5.393 1.00 . A A . 42 TYR CB 1 1 4 3521 1 1 42 TYR CD1 C -14.338 13.664 4.639 1.00 . A A . 42 TYR CD1 1 1 4 3522 1 1 42 TYR CD2 C -12.644 13.214 6.303 1.00 . A A . 42 TYR CD2 1 1 4 3523 1 1 42 TYR CE1 C -13.943 15.009 4.604 1.00 . A A . 42 TYR CE1 1 1 4 3524 1 1 42 TYR CE2 C -12.257 14.558 6.277 1.00 . A A . 42 TYR CE2 1 1 4 3525 1 1 42 TYR CG C -13.681 12.747 5.478 1.00 . A A . 42 TYR CG 1 1 4 3526 1 1 42 TYR CZ C -12.890 15.451 5.412 1.00 . A A . 42 TYR CZ 1 1 4 3527 1 1 42 TYR H H -11.908 12.053 4.405 1.00 . A A . 42 TYR H 1 1 4 3528 1 1 42 TYR HA H -13.249 9.605 4.289 1.00 . A A . 42 TYR HA 1 1 4 3529 1 1 42 TYR HB2 H -15.071 11.091 5.477 1.00 . A A . 42 TYR HB2 1 1 4 3530 1 1 42 TYR HB3 H -13.471 10.743 6.232 1.00 . A A . 42 TYR HB3 1 1 4 3531 1 1 42 TYR HD1 H -15.110 13.324 3.964 1.00 . A A . 42 TYR HD1 1 1 4 3532 1 1 42 TYR HD2 H -12.079 12.530 6.917 1.00 . A A . 42 TYR HD2 1 1 4 3533 1 1 42 TYR HE1 H -14.431 15.689 3.922 1.00 . A A . 42 TYR HE1 1 1 4 3534 1 1 42 TYR HE2 H -11.433 14.896 6.888 1.00 . A A . 42 TYR HE2 1 1 4 3535 1 1 42 TYR HH H -12.802 17.178 4.521 1.00 . A A . 42 TYR HH 1 1 4 3536 1 1 42 TYR N N -12.059 11.209 3.900 1.00 . A A . 42 TYR N 1 1 4 3537 1 1 42 TYR O O -15.526 10.993 3.046 1.00 . A A . 42 TYR O 1 1 4 3538 1 1 42 TYR OH O -12.403 16.769 5.318 1.00 . A A . 42 TYR OH 1 1 4 3539 1 1 43 SER C C -15.328 8.933 0.515 1.00 . A A . 43 SER C 1 1 4 3540 1 1 43 SER CA C -14.408 10.150 0.492 1.00 . A A . 43 SER CA 1 1 4 3541 1 1 43 SER CB C -13.332 9.942 -0.607 1.00 . A A . 43 SER CB 1 1 4 3542 1 1 43 SER H H -12.781 10.294 1.801 1.00 . A A . 43 SER H 1 1 4 3543 1 1 43 SER HA H -15.020 10.995 0.221 1.00 . A A . 43 SER HA 1 1 4 3544 1 1 43 SER HB2 H -12.751 9.018 -0.382 1.00 . A A . 43 SER HB2 1 1 4 3545 1 1 43 SER HB3 H -13.800 9.863 -1.610 1.00 . A A . 43 SER HB3 1 1 4 3546 1 1 43 SER HG H -11.997 10.970 -1.550 1.00 . A A . 43 SER HG 1 1 4 3547 1 1 43 SER N N -13.768 10.439 1.759 1.00 . A A . 43 SER N 1 1 4 3548 1 1 43 SER O O -15.885 8.523 1.533 1.00 . A A . 43 SER O 1 1 4 3549 1 1 43 SER OG O -12.427 11.042 -0.668 1.00 . A A . 43 SER OG 1 1 4 3550 1 1 44 ASN C C -15.716 6.211 -1.870 1.00 . A A . 44 ASN C 1 1 4 3551 1 1 44 ASN CA C -16.336 7.142 -0.821 1.00 . A A . 44 ASN CA 1 1 4 3552 1 1 44 ASN CB C -17.689 7.699 -1.303 1.00 . A A . 44 ASN CB 1 1 4 3553 1 1 44 ASN CG C -18.738 6.619 -1.453 1.00 . A A . 44 ASN CG 1 1 4 3554 1 1 44 ASN H H -15.188 8.683 -1.491 1.00 . A A . 44 ASN H 1 1 4 3555 1 1 44 ASN HA H -16.456 6.628 0.111 1.00 . A A . 44 ASN HA 1 1 4 3556 1 1 44 ASN HB2 H -18.028 8.458 -0.579 1.00 . A A . 44 ASN HB2 1 1 4 3557 1 1 44 ASN HB3 H -17.557 8.219 -2.267 1.00 . A A . 44 ASN HB3 1 1 4 3558 1 1 44 ASN HD21 H -18.814 6.264 0.561 1.00 . A A . 44 ASN HD21 1 1 4 3559 1 1 44 ASN HD22 H -19.737 5.191 -0.439 1.00 . A A . 44 ASN HD22 1 1 4 3560 1 1 44 ASN N N -15.472 8.265 -0.637 1.00 . A A . 44 ASN N 1 1 4 3561 1 1 44 ASN ND2 N -19.123 5.965 -0.343 1.00 . A A . 44 ASN ND2 1 1 4 3562 1 1 44 ASN O O -15.744 6.489 -3.074 1.00 . A A . 44 ASN O 1 1 4 3563 1 1 44 ASN OD1 O -19.213 6.363 -2.563 1.00 . A A . 44 ASN OD1 1 1 4 3564 1 1 45 PRO C C -13.643 5.726 0.431 1.00 . A A . 45 PRO C 1 1 4 3565 1 1 45 PRO CA C -14.747 4.800 -0.056 1.00 . A A . 45 PRO CA 1 1 4 3566 1 1 45 PRO CB C -14.262 3.347 -0.136 1.00 . A A . 45 PRO CB 1 1 4 3567 1 1 45 PRO CD C -14.675 4.075 -2.377 1.00 . A A . 45 PRO CD 1 1 4 3568 1 1 45 PRO CG C -13.748 3.179 -1.562 1.00 . A A . 45 PRO CG 1 1 4 3569 1 1 45 PRO HA H -15.597 4.920 0.596 1.00 . A A . 45 PRO HA 1 1 4 3570 1 1 45 PRO HB2 H -13.510 3.096 0.625 1.00 . A A . 45 PRO HB2 1 1 4 3571 1 1 45 PRO HB3 H -15.115 2.672 0.042 1.00 . A A . 45 PRO HB3 1 1 4 3572 1 1 45 PRO HD2 H -14.146 4.518 -3.250 1.00 . A A . 45 PRO HD2 1 1 4 3573 1 1 45 PRO HD3 H -15.564 3.504 -2.722 1.00 . A A . 45 PRO HD3 1 1 4 3574 1 1 45 PRO HG2 H -12.707 3.551 -1.637 1.00 . A A . 45 PRO HG2 1 1 4 3575 1 1 45 PRO HG3 H -13.765 2.126 -1.896 1.00 . A A . 45 PRO HG3 1 1 4 3576 1 1 45 PRO N N -15.128 5.099 -1.440 1.00 . A A . 45 PRO N 1 1 4 3577 1 1 45 PRO O O -13.025 6.374 -0.418 1.00 . A A . 45 PRO O 1 1 4 3578 1 1 46 PRO C C -10.953 6.256 1.674 1.00 . A A . 46 PRO C 1 1 4 3579 1 1 46 PRO CA C -12.288 6.753 2.169 1.00 . A A . 46 PRO CA 1 1 4 3580 1 1 46 PRO CB C -12.393 6.703 3.688 1.00 . A A . 46 PRO CB 1 1 4 3581 1 1 46 PRO CD C -13.939 5.112 2.827 1.00 . A A . 46 PRO CD 1 1 4 3582 1 1 46 PRO CG C -12.942 5.310 3.968 1.00 . A A . 46 PRO CG 1 1 4 3583 1 1 46 PRO HA H -12.439 7.742 1.768 1.00 . A A . 46 PRO HA 1 1 4 3584 1 1 46 PRO HB2 H -11.432 6.920 4.193 1.00 . A A . 46 PRO HB2 1 1 4 3585 1 1 46 PRO HB3 H -13.156 7.441 4.020 1.00 . A A . 46 PRO HB3 1 1 4 3586 1 1 46 PRO HD2 H -14.019 4.019 2.587 1.00 . A A . 46 PRO HD2 1 1 4 3587 1 1 46 PRO HD3 H -14.918 5.582 3.106 1.00 . A A . 46 PRO HD3 1 1 4 3588 1 1 46 PRO HG2 H -12.122 4.563 3.888 1.00 . A A . 46 PRO HG2 1 1 4 3589 1 1 46 PRO HG3 H -13.413 5.261 4.969 1.00 . A A . 46 PRO HG3 1 1 4 3590 1 1 46 PRO N N -13.355 5.873 1.720 1.00 . A A . 46 PRO N 1 1 4 3591 1 1 46 PRO O O -10.788 5.062 1.441 1.00 . A A . 46 PRO O 1 1 4 3592 1 1 47 GLN C C -7.664 6.501 1.143 1.00 . A A . 47 GLN C 1 1 4 3593 1 1 47 GLN CA C -8.959 6.820 0.452 1.00 . A A . 47 GLN CA 1 1 4 3594 1 1 47 GLN CB C -8.826 7.903 -0.646 1.00 . A A . 47 GLN CB 1 1 4 3595 1 1 47 GLN CD C -10.046 6.717 -2.543 1.00 . A A . 47 GLN CD 1 1 4 3596 1 1 47 GLN CG C -10.030 7.932 -1.616 1.00 . A A . 47 GLN CG 1 1 4 3597 1 1 47 GLN H H -10.106 8.111 1.693 1.00 . A A . 47 GLN H 1 1 4 3598 1 1 47 GLN HA H -9.205 5.895 -0.038 1.00 . A A . 47 GLN HA 1 1 4 3599 1 1 47 GLN HB2 H -8.732 8.902 -0.171 1.00 . A A . 47 GLN HB2 1 1 4 3600 1 1 47 GLN HB3 H -7.910 7.738 -1.244 1.00 . A A . 47 GLN HB3 1 1 4 3601 1 1 47 GLN HE21 H -11.333 5.769 -1.308 1.00 . A A . 47 GLN HE21 1 1 4 3602 1 1 47 GLN HE22 H -10.776 4.829 -2.672 1.00 . A A . 47 GLN HE22 1 1 4 3603 1 1 47 GLN HG2 H -10.971 7.964 -1.034 1.00 . A A . 47 GLN HG2 1 1 4 3604 1 1 47 GLN HG3 H -9.967 8.836 -2.252 1.00 . A A . 47 GLN HG3 1 1 4 3605 1 1 47 GLN N N -10.013 7.163 1.382 1.00 . A A . 47 GLN N 1 1 4 3606 1 1 47 GLN NE2 N -10.767 5.659 -2.126 1.00 . A A . 47 GLN NE2 1 1 4 3607 1 1 47 GLN O O -6.726 7.289 1.156 1.00 . A A . 47 GLN O 1 1 4 3608 1 1 47 GLN OE1 O -9.404 6.699 -3.597 1.00 . A A . 47 GLN OE1 1 1 4 3609 1 1 48 CYS C C -5.275 4.441 1.793 1.00 . A A . 48 CYS C 1 1 4 3610 1 1 48 CYS CA C -6.481 4.893 2.581 1.00 . A A . 48 CYS CA 1 1 4 3611 1 1 48 CYS CB C -6.835 3.784 3.600 1.00 . A A . 48 CYS CB 1 1 4 3612 1 1 48 CYS H H -8.301 4.613 1.549 1.00 . A A . 48 CYS H 1 1 4 3613 1 1 48 CYS HA H -6.148 5.756 3.133 1.00 . A A . 48 CYS HA 1 1 4 3614 1 1 48 CYS HB2 H -7.380 2.975 3.068 1.00 . A A . 48 CYS HB2 1 1 4 3615 1 1 48 CYS HB3 H -5.886 3.351 3.983 1.00 . A A . 48 CYS HB3 1 1 4 3616 1 1 48 CYS N N -7.586 5.298 1.734 1.00 . A A . 48 CYS N 1 1 4 3617 1 1 48 CYS O O -5.293 3.461 1.036 1.00 . A A . 48 CYS O 1 1 4 3618 1 1 48 CYS SG S -7.781 4.245 5.089 1.00 . A A . 48 CYS SG 1 1 4 3619 1 1 49 GLN C C -1.756 5.312 2.195 1.00 . A A . 49 GLN C 1 1 4 3620 1 1 49 GLN CA C -2.929 4.930 1.324 1.00 . A A . 49 GLN CA 1 1 4 3621 1 1 49 GLN CB C -2.916 5.708 -0.005 1.00 . A A . 49 GLN CB 1 1 4 3622 1 1 49 GLN CD C -2.760 5.509 -2.532 1.00 . A A . 49 GLN CD 1 1 4 3623 1 1 49 GLN CG C -2.634 4.782 -1.202 1.00 . A A . 49 GLN CG 1 1 4 3624 1 1 49 GLN H H -4.229 6.043 2.490 1.00 . A A . 49 GLN H 1 1 4 3625 1 1 49 GLN HA H -2.843 3.872 1.162 1.00 . A A . 49 GLN HA 1 1 4 3626 1 1 49 GLN HB2 H -3.924 6.176 -0.099 1.00 . A A . 49 GLN HB2 1 1 4 3627 1 1 49 GLN HB3 H -2.185 6.547 0.019 1.00 . A A . 49 GLN HB3 1 1 4 3628 1 1 49 GLN HE21 H -4.704 6.010 -2.166 1.00 . A A . 49 GLN HE21 1 1 4 3629 1 1 49 GLN HE22 H -4.065 6.541 -3.690 1.00 . A A . 49 GLN HE22 1 1 4 3630 1 1 49 GLN HG2 H -1.595 4.391 -1.124 1.00 . A A . 49 GLN HG2 1 1 4 3631 1 1 49 GLN HG3 H -3.338 3.924 -1.203 1.00 . A A . 49 GLN HG3 1 1 4 3632 1 1 49 GLN N N -4.175 5.185 1.978 1.00 . A A . 49 GLN N 1 1 4 3633 1 1 49 GLN NE2 N -3.962 6.049 -2.825 1.00 . A A . 49 GLN NE2 1 1 4 3634 1 1 49 GLN O O -1.790 6.308 2.912 1.00 . A A . 49 GLN O 1 1 4 3635 1 1 49 GLN OE1 O -1.812 5.578 -3.313 1.00 . A A . 49 GLN OE1 1 1 4 3636 1 1 50 CYS C C 1.563 5.514 2.064 1.00 . A A . 50 CYS C 1 1 4 3637 1 1 50 CYS CA C 0.532 4.802 2.917 1.00 . A A . 50 CYS CA 1 1 4 3638 1 1 50 CYS CB C 1.144 3.550 3.574 1.00 . A A . 50 CYS CB 1 1 4 3639 1 1 50 CYS H H -0.683 3.661 1.625 1.00 . A A . 50 CYS H 1 1 4 3640 1 1 50 CYS HA H 0.296 5.482 3.718 1.00 . A A . 50 CYS HA 1 1 4 3641 1 1 50 CYS HB2 H 0.371 3.054 4.194 1.00 . A A . 50 CYS HB2 1 1 4 3642 1 1 50 CYS HB3 H 1.405 2.814 2.790 1.00 . A A . 50 CYS HB3 1 1 4 3643 1 1 50 CYS N N -0.679 4.506 2.172 1.00 . A A . 50 CYS N 1 1 4 3644 1 1 50 CYS O O 2.288 4.923 1.268 1.00 . A A . 50 CYS O 1 1 4 3645 1 1 50 CYS SG S 2.587 3.919 4.620 1.00 . A A . 50 CYS SG 1 1 4 3646 1 1 51 TYR C C 4.038 7.447 1.739 1.00 . A A . 51 TYR C 1 1 4 3647 1 1 51 TYR CA C 2.549 7.789 1.647 1.00 . A A . 51 TYR CA 1 1 4 3648 1 1 51 TYR CB C 2.281 9.207 2.224 1.00 . A A . 51 TYR CB 1 1 4 3649 1 1 51 TYR CD1 C -0.116 9.354 1.251 1.00 . A A . 51 TYR CD1 1 1 4 3650 1 1 51 TYR CD2 C 1.292 11.314 1.226 1.00 . A A . 51 TYR CD2 1 1 4 3651 1 1 51 TYR CE1 C -1.144 10.087 0.653 1.00 . A A . 51 TYR CE1 1 1 4 3652 1 1 51 TYR CE2 C 0.258 12.045 0.632 1.00 . A A . 51 TYR CE2 1 1 4 3653 1 1 51 TYR CG C 1.134 9.949 1.546 1.00 . A A . 51 TYR CG 1 1 4 3654 1 1 51 TYR CZ C -0.966 11.435 0.356 1.00 . A A . 51 TYR CZ 1 1 4 3655 1 1 51 TYR H H 1.101 7.198 3.018 1.00 . A A . 51 TYR H 1 1 4 3656 1 1 51 TYR HA H 2.344 7.788 0.586 1.00 . A A . 51 TYR HA 1 1 4 3657 1 1 51 TYR HB2 H 2.056 9.142 3.306 1.00 . A A . 51 TYR HB2 1 1 4 3658 1 1 51 TYR HB3 H 3.200 9.820 2.126 1.00 . A A . 51 TYR HB3 1 1 4 3659 1 1 51 TYR HD1 H -0.377 8.343 1.505 1.00 . A A . 51 TYR HD1 1 1 4 3660 1 1 51 TYR HD2 H 2.194 11.867 1.432 1.00 . A A . 51 TYR HD2 1 1 4 3661 1 1 51 TYR HE1 H -2.079 9.589 0.457 1.00 . A A . 51 TYR HE1 1 1 4 3662 1 1 51 TYR HE2 H 0.434 13.086 0.422 1.00 . A A . 51 TYR HE2 1 1 4 3663 1 1 51 TYR HH H -1.615 12.858 -0.769 1.00 . A A . 51 TYR HH 1 1 4 3664 1 1 51 TYR N N 1.631 6.837 2.250 1.00 . A A . 51 TYR N 1 1 4 3665 1 1 51 TYR O O 4.852 7.839 0.908 1.00 . A A . 51 TYR O 1 1 4 3666 1 1 51 TYR OH O -2.023 12.171 -0.204 1.00 . A A . 51 TYR OH 1 1 4 3667 1 1 52 ASP C C 6.610 5.558 2.544 1.00 . A A . 52 ASP C 1 1 4 3668 1 1 52 ASP CA C 5.819 6.656 3.260 1.00 . A A . 52 ASP CA 1 1 4 3669 1 1 52 ASP CB C 5.864 6.460 4.803 1.00 . A A . 52 ASP CB 1 1 4 3670 1 1 52 ASP CG C 7.199 6.864 5.416 1.00 . A A . 52 ASP CG 1 1 4 3671 1 1 52 ASP H H 3.699 6.378 3.375 1.00 . A A . 52 ASP H 1 1 4 3672 1 1 52 ASP HA H 6.302 7.596 3.013 1.00 . A A . 52 ASP HA 1 1 4 3673 1 1 52 ASP HB2 H 5.086 7.108 5.261 1.00 . A A . 52 ASP HB2 1 1 4 3674 1 1 52 ASP HB3 H 5.647 5.409 5.077 1.00 . A A . 52 ASP HB3 1 1 4 3675 1 1 52 ASP HD2 H 7.884 7.913 6.854 1.00 . A A . 52 ASP HD2 1 1 4 3676 1 1 52 ASP N N 4.432 6.762 2.824 1.00 . A A . 52 ASP N 1 1 4 3677 1 1 52 ASP O O 6.167 4.417 2.410 1.00 . A A . 52 ASP O 1 1 4 3678 1 1 52 ASP OD1 O 8.312 6.636 4.979 1.00 . A A . 52 ASP OD1 1 1 4 3679 1 1 52 ASP OD2 O 7.024 7.568 6.570 1.00 . A A . 52 ASP OD2 1 1 4 3680 1 1 53 THR C C 9.755 4.318 2.280 1.00 . A A . 53 THR C 1 1 4 3681 1 1 53 THR CA C 8.730 4.982 1.375 1.00 . A A . 53 THR CA 1 1 4 3682 1 1 53 THR CB C 9.490 5.636 0.232 1.00 . A A . 53 THR CB 1 1 4 3683 1 1 53 THR CG2 C 8.508 6.015 -0.876 1.00 . A A . 53 THR CG2 1 1 4 3684 1 1 53 THR H H 8.161 6.826 2.211 1.00 . A A . 53 THR H 1 1 4 3685 1 1 53 THR HA H 8.139 4.197 0.947 1.00 . A A . 53 THR HA 1 1 4 3686 1 1 53 THR HB H 10.216 4.922 -0.215 1.00 . A A . 53 THR HB 1 1 4 3687 1 1 53 THR HG1 H 10.643 6.539 1.462 1.00 . A A . 53 THR HG1 1 1 4 3688 1 1 53 THR HG21 H 8.047 5.096 -1.294 1.00 . A A . 53 THR HG21 1 1 4 3689 1 1 53 THR HG22 H 9.028 6.545 -1.703 1.00 . A A . 53 THR HG22 1 1 4 3690 1 1 53 THR HG23 H 7.698 6.670 -0.489 1.00 . A A . 53 THR HG23 1 1 4 3691 1 1 53 THR N N 7.827 5.887 2.077 1.00 . A A . 53 THR N 1 1 4 3692 1 1 53 THR O O 10.665 4.960 2.792 1.00 . A A . 53 THR O 1 1 4 3693 1 1 53 THR OG1 O 10.164 6.815 0.658 1.00 . A A . 53 THR OG1 1 1 4 3694 1 1 54 HIS C C 10.527 0.725 2.604 1.00 . A A . 54 HIS C 1 1 4 3695 1 1 54 HIS CA C 10.503 2.119 3.221 1.00 . A A . 54 HIS CA 1 1 4 3696 1 1 54 HIS CB C 10.166 2.030 4.735 1.00 . A A . 54 HIS CB 1 1 4 3697 1 1 54 HIS CD2 C 8.179 0.485 5.430 1.00 . A A . 54 HIS CD2 1 1 4 3698 1 1 54 HIS CE1 C 6.617 1.989 5.189 1.00 . A A . 54 HIS CE1 1 1 4 3699 1 1 54 HIS CG C 8.759 1.652 5.065 1.00 . A A . 54 HIS CG 1 1 4 3700 1 1 54 HIS H H 8.890 2.535 1.973 1.00 . A A . 54 HIS H 1 1 4 3701 1 1 54 HIS HA H 11.508 2.499 3.114 1.00 . A A . 54 HIS HA 1 1 4 3702 1 1 54 HIS HB2 H 10.852 1.317 5.235 1.00 . A A . 54 HIS HB2 1 1 4 3703 1 1 54 HIS HB3 H 10.308 3.038 5.182 1.00 . A A . 54 HIS HB3 1 1 4 3704 1 1 54 HIS HD1 H 7.914 3.530 4.690 1.00 . A A . 54 HIS HD1 1 1 4 3705 1 1 54 HIS HD2 H 8.635 -0.471 5.668 1.00 . A A . 54 HIS HD2 1 1 4 3706 1 1 54 HIS HE1 H 5.679 2.492 5.147 1.00 . A A . 54 HIS HE1 1 1 4 3707 1 1 54 HIS HE2 H 6.133 0.056 5.778 1.00 . A A . 54 HIS HE2 1 1 4 3708 1 1 54 HIS N N 9.611 2.996 2.483 1.00 . A A . 54 HIS N 1 1 4 3709 1 1 54 HIS ND1 N 7.769 2.572 4.933 1.00 . A A . 54 HIS ND1 1 1 4 3710 1 1 54 HIS NE2 N 6.830 0.716 5.493 1.00 . A A . 54 HIS NE2 1 1 4 3711 1 1 54 HIS O O 11.577 0.199 2.254 1.00 . A A . 54 HIS O 1 1 4 3712 1 1 55 LYS C C 9.450 -1.689 0.643 1.00 . A A . 55 LYS C 1 1 4 3713 1 1 55 LYS CA C 9.179 -1.313 2.104 1.00 . A A . 55 LYS CA 1 1 4 3714 1 1 55 LYS CB C 7.749 -1.775 2.528 1.00 . A A . 55 LYS CB 1 1 4 3715 1 1 55 LYS CD C 5.232 -2.032 1.872 1.00 . A A . 55 LYS CD 1 1 4 3716 1 1 55 LYS CE C 4.412 -1.453 3.031 1.00 . A A . 55 LYS CE 1 1 4 3717 1 1 55 LYS CG C 6.585 -1.342 1.610 1.00 . A A . 55 LYS CG 1 1 4 3718 1 1 55 LYS H H 8.499 0.506 2.780 1.00 . A A . 55 LYS H 1 1 4 3719 1 1 55 LYS HA H 9.904 -1.867 2.680 1.00 . A A . 55 LYS HA 1 1 4 3720 1 1 55 LYS HB2 H 7.732 -2.873 2.648 1.00 . A A . 55 LYS HB2 1 1 4 3721 1 1 55 LYS HB3 H 7.567 -1.381 3.544 1.00 . A A . 55 LYS HB3 1 1 4 3722 1 1 55 LYS HD2 H 4.617 -1.899 0.950 1.00 . A A . 55 LYS HD2 1 1 4 3723 1 1 55 LYS HD3 H 5.388 -3.125 2.002 1.00 . A A . 55 LYS HD3 1 1 4 3724 1 1 55 LYS HE2 H 4.355 -0.346 2.963 1.00 . A A . 55 LYS HE2 1 1 4 3725 1 1 55 LYS HE3 H 3.381 -1.867 3.008 1.00 . A A . 55 LYS HE3 1 1 4 3726 1 1 55 LYS HG2 H 6.429 -0.251 1.658 1.00 . A A . 55 LYS HG2 1 1 4 3727 1 1 55 LYS HG3 H 6.860 -1.579 0.558 1.00 . A A . 55 LYS HG3 1 1 4 3728 1 1 55 LYS HZ1 H 4.429 -1.429 5.112 1.00 . A A . 55 LYS HZ1 1 1 4 3729 1 1 55 LYS HZ2 H 5.968 -1.422 4.394 1.00 . A A . 55 LYS HZ2 1 1 4 3730 1 1 55 LYS HZ3 H 5.055 -2.847 4.424 1.00 . A A . 55 LYS HZ3 1 1 4 3731 1 1 55 LYS N N 9.347 0.075 2.494 1.00 . A A . 55 LYS N 1 1 4 3732 1 1 55 LYS NZ N 5.006 -1.810 4.335 1.00 . A A . 55 LYS NZ 1 1 4 3733 1 1 55 LYS O O 9.924 -0.903 -0.169 1.00 . A A . 55 LYS O 1 1 4 3734 1 1 56 PHE C C 7.704 -3.911 -1.421 1.00 . A A . 56 PHE C 1 1 4 3735 1 1 56 PHE CA C 9.146 -3.555 -1.024 1.00 . A A . 56 PHE CA 1 1 4 3736 1 1 56 PHE CB C 10.079 -4.802 -0.998 1.00 . A A . 56 PHE CB 1 1 4 3737 1 1 56 PHE CD1 C 8.774 -6.586 0.221 1.00 . A A . 56 PHE CD1 1 1 4 3738 1 1 56 PHE CD2 C 10.539 -5.445 1.417 1.00 . A A . 56 PHE CD2 1 1 4 3739 1 1 56 PHE CE1 C 8.439 -7.284 1.385 1.00 . A A . 56 PHE CE1 1 1 4 3740 1 1 56 PHE CE2 C 10.213 -6.149 2.581 1.00 . A A . 56 PHE CE2 1 1 4 3741 1 1 56 PHE CG C 9.821 -5.653 0.223 1.00 . A A . 56 PHE CG 1 1 4 3742 1 1 56 PHE CZ C 9.162 -7.072 2.565 1.00 . A A . 56 PHE CZ 1 1 4 3743 1 1 56 PHE H H 8.792 -3.573 0.990 1.00 . A A . 56 PHE H 1 1 4 3744 1 1 56 PHE HA H 9.513 -2.846 -1.755 1.00 . A A . 56 PHE HA 1 1 4 3745 1 1 56 PHE HB2 H 9.969 -5.422 -1.911 1.00 . A A . 56 PHE HB2 1 1 4 3746 1 1 56 PHE HB3 H 11.136 -4.456 -0.960 1.00 . A A . 56 PHE HB3 1 1 4 3747 1 1 56 PHE HD1 H 8.191 -6.736 -0.675 1.00 . A A . 56 PHE HD1 1 1 4 3748 1 1 56 PHE HD2 H 11.319 -4.699 1.457 1.00 . A A . 56 PHE HD2 1 1 4 3749 1 1 56 PHE HE1 H 7.592 -7.953 1.377 1.00 . A A . 56 PHE HE1 1 1 4 3750 1 1 56 PHE HE2 H 10.763 -5.961 3.492 1.00 . A A . 56 PHE HE2 1 1 4 3751 1 1 56 PHE HZ H 8.891 -7.602 3.468 1.00 . A A . 56 PHE HZ 1 1 4 3752 1 1 56 PHE N N 9.125 -2.947 0.295 1.00 . A A . 56 PHE N 1 1 4 3753 1 1 56 PHE O O 6.755 -3.619 -0.695 1.00 . A A . 56 PHE O 1 1 4 3754 1 1 57 CYS C C 5.581 -6.171 -2.378 1.00 . A A . 57 CYS C 1 1 4 3755 1 1 57 CYS CA C 6.084 -4.869 -2.981 1.00 . A A . 57 CYS CA 1 1 4 3756 1 1 57 CYS CB C 5.898 -4.892 -4.517 1.00 . A A . 57 CYS CB 1 1 4 3757 1 1 57 CYS H H 8.177 -4.838 -3.213 1.00 . A A . 57 CYS H 1 1 4 3758 1 1 57 CYS HA H 5.434 -4.089 -2.612 1.00 . A A . 57 CYS HA 1 1 4 3759 1 1 57 CYS HB2 H 6.458 -4.026 -4.932 1.00 . A A . 57 CYS HB2 1 1 4 3760 1 1 57 CYS HB3 H 6.372 -5.807 -4.936 1.00 . A A . 57 CYS HB3 1 1 4 3761 1 1 57 CYS N N 7.449 -4.546 -2.583 1.00 . A A . 57 CYS N 1 1 4 3762 1 1 57 CYS O O 6.280 -7.179 -2.298 1.00 . A A . 57 CYS O 1 1 4 3763 1 1 57 CYS SG S 4.158 -4.780 -5.072 1.00 . A A . 57 CYS SG 1 1 4 3764 1 1 58 TYR C C 2.536 -7.896 -1.968 1.00 . A A . 58 TYR C 1 1 4 3765 1 1 58 TYR CA C 3.677 -7.242 -1.213 1.00 . A A . 58 TYR CA 1 1 4 3766 1 1 58 TYR CB C 3.038 -6.715 0.092 1.00 . A A . 58 TYR CB 1 1 4 3767 1 1 58 TYR CD1 C 4.993 -5.999 1.497 1.00 . A A . 58 TYR CD1 1 1 4 3768 1 1 58 TYR CD2 C 3.731 -7.958 2.147 1.00 . A A . 58 TYR CD2 1 1 4 3769 1 1 58 TYR CE1 C 5.758 -6.108 2.665 1.00 . A A . 58 TYR CE1 1 1 4 3770 1 1 58 TYR CE2 C 4.505 -8.078 3.299 1.00 . A A . 58 TYR CE2 1 1 4 3771 1 1 58 TYR CG C 3.950 -6.903 1.250 1.00 . A A . 58 TYR CG 1 1 4 3772 1 1 58 TYR CZ C 5.518 -7.154 3.566 1.00 . A A . 58 TYR CZ 1 1 4 3773 1 1 58 TYR H H 3.814 -5.305 -2.024 1.00 . A A . 58 TYR H 1 1 4 3774 1 1 58 TYR HA H 4.383 -8.034 -0.987 1.00 . A A . 58 TYR HA 1 1 4 3775 1 1 58 TYR HB2 H 2.798 -5.641 0.002 1.00 . A A . 58 TYR HB2 1 1 4 3776 1 1 58 TYR HB3 H 2.083 -7.225 0.335 1.00 . A A . 58 TYR HB3 1 1 4 3777 1 1 58 TYR HD1 H 5.182 -5.190 0.809 1.00 . A A . 58 TYR HD1 1 1 4 3778 1 1 58 TYR HD2 H 2.944 -8.679 2.001 1.00 . A A . 58 TYR HD2 1 1 4 3779 1 1 58 TYR HE1 H 6.537 -5.387 2.842 1.00 . A A . 58 TYR HE1 1 1 4 3780 1 1 58 TYR HE2 H 4.274 -8.897 3.955 1.00 . A A . 58 TYR HE2 1 1 4 3781 1 1 58 TYR HH H 5.988 -8.088 5.193 1.00 . A A . 58 TYR HH 1 1 4 3782 1 1 58 TYR N N 4.323 -6.149 -1.916 1.00 . A A . 58 TYR N 1 1 4 3783 1 1 58 TYR O O 1.968 -7.368 -2.926 1.00 . A A . 58 TYR O 1 1 4 3784 1 1 58 TYR OH O 6.285 -7.275 4.739 1.00 . A A . 58 TYR OH 1 1 4 3785 1 1 59 LYS C C -0.348 -8.873 -1.194 1.00 . A A . 59 LYS C 1 1 4 3786 1 1 59 LYS CA C 0.864 -9.733 -1.569 1.00 . A A . 59 LYS CA 1 1 4 3787 1 1 59 LYS CB C 0.886 -11.080 -0.812 1.00 . A A . 59 LYS CB 1 1 4 3788 1 1 59 LYS CD C 2.051 -13.344 -0.551 1.00 . A A . 59 LYS CD 1 1 4 3789 1 1 59 LYS CE C 3.384 -14.078 -0.741 1.00 . A A . 59 LYS CE 1 1 4 3790 1 1 59 LYS CG C 1.918 -12.068 -1.390 1.00 . A A . 59 LYS CG 1 1 4 3791 1 1 59 LYS H H 2.732 -9.471 -0.751 1.00 . A A . 59 LYS H 1 1 4 3792 1 1 59 LYS HA H 0.726 -9.960 -2.614 1.00 . A A . 59 LYS HA 1 1 4 3793 1 1 59 LYS HB2 H 1.137 -10.881 0.253 1.00 . A A . 59 LYS HB2 1 1 4 3794 1 1 59 LYS HB3 H -0.118 -11.553 -0.839 1.00 . A A . 59 LYS HB3 1 1 4 3795 1 1 59 LYS HD2 H 1.994 -13.062 0.526 1.00 . A A . 59 LYS HD2 1 1 4 3796 1 1 59 LYS HD3 H 1.203 -14.028 -0.760 1.00 . A A . 59 LYS HD3 1 1 4 3797 1 1 59 LYS HE2 H 4.219 -13.399 -0.474 1.00 . A A . 59 LYS HE2 1 1 4 3798 1 1 59 LYS HE3 H 3.428 -14.984 -0.101 1.00 . A A . 59 LYS HE3 1 1 4 3799 1 1 59 LYS HG2 H 1.655 -12.329 -2.438 1.00 . A A . 59 LYS HG2 1 1 4 3800 1 1 59 LYS HG3 H 2.922 -11.592 -1.417 1.00 . A A . 59 LYS HG3 1 1 4 3801 1 1 59 LYS HZ1 H 2.821 -15.164 -2.412 1.00 . A A . 59 LYS HZ1 1 1 4 3802 1 1 59 LYS HZ2 H 4.500 -14.974 -2.240 1.00 . A A . 59 LYS HZ2 1 1 4 3803 1 1 59 LYS HZ3 H 3.548 -13.671 -2.765 1.00 . A A . 59 LYS HZ3 1 1 4 3804 1 1 59 LYS N N 2.159 -9.087 -1.467 1.00 . A A . 59 LYS N 1 1 4 3805 1 1 59 LYS NZ N 3.578 -14.504 -2.142 1.00 . A A . 59 LYS NZ 1 1 4 3806 1 1 59 LYS O O -0.243 -7.796 -0.608 1.00 . A A . 59 LYS O 1 1 4 3807 1 1 60 ALA C C -3.756 -8.369 -0.634 1.00 . A A . 60 ALA C 1 1 4 3808 1 1 60 ALA CA C -2.709 -8.469 -1.732 1.00 . A A . 60 ALA CA 1 1 4 3809 1 1 60 ALA CB C -3.336 -8.852 -3.080 1.00 . A A . 60 ALA CB 1 1 4 3810 1 1 60 ALA H H -1.613 -10.195 -2.050 1.00 . A A . 60 ALA H 1 1 4 3811 1 1 60 ALA HA H -2.371 -7.459 -1.793 1.00 . A A . 60 ALA HA 1 1 4 3812 1 1 60 ALA HB1 H -4.139 -8.156 -3.390 1.00 . A A . 60 ALA HB1 1 1 4 3813 1 1 60 ALA HB2 H -3.730 -9.888 -3.038 1.00 . A A . 60 ALA HB2 1 1 4 3814 1 1 60 ALA HB3 H -2.546 -8.834 -3.864 1.00 . A A . 60 ALA HB3 1 1 4 3815 1 1 60 ALA N N -1.553 -9.318 -1.577 1.00 . A A . 60 ALA N 1 1 4 3816 1 1 60 ALA O O -3.801 -9.127 0.329 1.00 . A A . 60 ALA O 1 1 4 3817 1 1 61 CYS C C -7.055 -7.568 -0.659 1.00 . A A . 61 CYS C 1 1 4 3818 1 1 61 CYS CA C -5.807 -7.061 0.036 1.00 . A A . 61 CYS CA 1 1 4 3819 1 1 61 CYS CB C -5.935 -5.524 0.260 1.00 . A A . 61 CYS CB 1 1 4 3820 1 1 61 CYS H H -4.552 -6.804 -1.623 1.00 . A A . 61 CYS H 1 1 4 3821 1 1 61 CYS HA H -5.732 -7.598 0.969 1.00 . A A . 61 CYS HA 1 1 4 3822 1 1 61 CYS HB2 H -5.029 -5.051 -0.176 1.00 . A A . 61 CYS HB2 1 1 4 3823 1 1 61 CYS HB3 H -6.794 -5.087 -0.292 1.00 . A A . 61 CYS HB3 1 1 4 3824 1 1 61 CYS N N -4.639 -7.363 -0.795 1.00 . A A . 61 CYS N 1 1 4 3825 1 1 61 CYS O O -8.179 -7.098 -0.481 1.00 . A A . 61 CYS O 1 1 4 3826 1 1 61 CYS SG S -6.034 -5.081 2.021 1.00 . A A . 61 CYS SG 1 1 4 3827 1 1 62 HIS C C -8.604 -10.125 -2.143 1.00 . A A . 62 HIS C 1 1 4 3828 1 1 62 HIS CA C -7.713 -8.983 -2.585 1.00 . A A . 62 HIS CA 1 1 4 3829 1 1 62 HIS CB C -6.832 -9.270 -3.828 1.00 . A A . 62 HIS CB 1 1 4 3830 1 1 62 HIS CD2 C -6.906 -10.714 -5.958 1.00 . A A . 62 HIS CD2 1 1 4 3831 1 1 62 HIS CE1 C -8.961 -10.283 -6.529 1.00 . A A . 62 HIS CE1 1 1 4 3832 1 1 62 HIS CG C -7.450 -9.914 -5.015 1.00 . A A . 62 HIS CG 1 1 4 3833 1 1 62 HIS H H -5.947 -9.012 -1.443 1.00 . A A . 62 HIS H 1 1 4 3834 1 1 62 HIS HA H -8.366 -8.162 -2.836 1.00 . A A . 62 HIS HA 1 1 4 3835 1 1 62 HIS HB2 H -6.445 -8.289 -4.178 1.00 . A A . 62 HIS HB2 1 1 4 3836 1 1 62 HIS HB3 H -5.965 -9.892 -3.542 1.00 . A A . 62 HIS HB3 1 1 4 3837 1 1 62 HIS HD1 H -9.360 -9.043 -4.913 1.00 . A A . 62 HIS HD1 1 1 4 3838 1 1 62 HIS HD2 H -5.910 -11.129 -6.025 1.00 . A A . 62 HIS HD2 1 1 4 3839 1 1 62 HIS HE1 H -9.894 -10.265 -7.050 1.00 . A A . 62 HIS HE1 1 1 4 3840 1 1 62 HIS HE2 H -7.770 -11.476 -7.734 1.00 . A A . 62 HIS HE2 1 1 4 3841 1 1 62 HIS N N -6.841 -8.576 -1.509 1.00 . A A . 62 HIS N 1 1 4 3842 1 1 62 HIS ND1 N -8.726 -9.653 -5.392 1.00 . A A . 62 HIS ND1 1 1 4 3843 1 1 62 HIS NE2 N -7.867 -10.927 -6.902 1.00 . A A . 62 HIS NE2 1 1 4 3844 1 1 62 HIS O O -8.723 -11.175 -2.772 1.00 . A A . 62 HIS O 1 1 4 3845 1 1 63 ASN C C -11.476 -11.063 -1.234 1.00 . A A . 63 ASN C 1 1 4 3846 1 1 63 ASN CA C -10.248 -10.774 -0.386 1.00 . A A . 63 ASN CA 1 1 4 3847 1 1 63 ASN CB C -10.619 -10.253 1.035 1.00 . A A . 63 ASN CB 1 1 4 3848 1 1 63 ASN CG C -10.858 -8.743 1.102 1.00 . A A . 63 ASN CG 1 1 4 3849 1 1 63 ASN H H -9.183 -9.005 -0.590 1.00 . A A . 63 ASN H 1 1 4 3850 1 1 63 ASN HA H -9.753 -11.721 -0.267 1.00 . A A . 63 ASN HA 1 1 4 3851 1 1 63 ASN HB2 H -11.530 -10.764 1.400 1.00 . A A . 63 ASN HB2 1 1 4 3852 1 1 63 ASN HB3 H -9.784 -10.531 1.704 1.00 . A A . 63 ASN HB3 1 1 4 3853 1 1 63 ASN HD21 H -9.581 -8.391 2.702 1.00 . A A . 63 ASN HD21 1 1 4 3854 1 1 63 ASN HD22 H -10.337 -7.023 2.010 1.00 . A A . 63 ASN HD22 1 1 4 3855 1 1 63 ASN N N -9.296 -9.897 -1.020 1.00 . A A . 63 ASN N 1 1 4 3856 1 1 63 ASN ND2 N -10.174 -8.004 1.999 1.00 . A A . 63 ASN ND2 1 1 4 3857 1 1 63 ASN O O -11.880 -12.205 -1.438 1.00 . A A . 63 ASN O 1 1 4 3858 1 1 63 ASN OD1 O -11.665 -8.208 0.340 1.00 . A A . 63 ASN OD1 1 1 4 3859 1 1 64 SER C C -13.599 -10.182 -3.782 1.00 . A A . 64 SER C 1 1 4 3860 1 1 64 SER CA C -13.449 -10.006 -2.278 1.00 . A A . 64 SER CA 1 1 4 3861 1 1 64 SER CB C -14.180 -8.698 -1.895 1.00 . A A . 64 SER CB 1 1 4 3862 1 1 64 SER H H -11.638 -9.127 -1.550 1.00 . A A . 64 SER H 1 1 4 3863 1 1 64 SER HA H -13.989 -10.824 -1.829 1.00 . A A . 64 SER HA 1 1 4 3864 1 1 64 SER HB2 H -13.661 -7.838 -2.369 1.00 . A A . 64 SER HB2 1 1 4 3865 1 1 64 SER HB3 H -15.233 -8.720 -2.262 1.00 . A A . 64 SER HB3 1 1 4 3866 1 1 64 SER HG H -13.248 -8.357 -0.214 1.00 . A A . 64 SER HG 1 1 4 3867 1 1 64 SER N N -12.085 -10.001 -1.757 1.00 . A A . 64 SER N 1 1 4 3868 1 1 64 SER O O -14.517 -10.853 -4.244 1.00 . A A . 64 SER O 1 1 4 3869 1 1 64 SER OG O -14.184 -8.517 -0.474 1.00 . A A . 64 SER OG 1 1 4 3870 1 1 65 GLU C C -12.945 -10.810 -6.831 1.00 . A A . 65 GLU C 1 1 4 3871 1 1 65 GLU CA C -12.865 -9.481 -6.060 1.00 . A A . 65 GLU CA 1 1 4 3872 1 1 65 GLU CB C -11.786 -8.516 -6.617 1.00 . A A . 65 GLU CB 1 1 4 3873 1 1 65 GLU CD C -10.478 -7.504 -8.559 1.00 . A A . 65 GLU CD 1 1 4 3874 1 1 65 GLU CG C -11.553 -8.508 -8.148 1.00 . A A . 65 GLU CG 1 1 4 3875 1 1 65 GLU H H -12.002 -9.017 -4.189 1.00 . A A . 65 GLU H 1 1 4 3876 1 1 65 GLU HA H -13.819 -9.027 -6.259 1.00 . A A . 65 GLU HA 1 1 4 3877 1 1 65 GLU HB2 H -12.047 -7.483 -6.290 1.00 . A A . 65 GLU HB2 1 1 4 3878 1 1 65 GLU HB3 H -10.831 -8.768 -6.127 1.00 . A A . 65 GLU HB3 1 1 4 3879 1 1 65 GLU HE2 H -8.615 -7.121 -8.328 1.00 . A A . 65 GLU HE2 1 1 4 3880 1 1 65 GLU HG2 H -11.222 -9.505 -8.507 1.00 . A A . 65 GLU HG2 1 1 4 3881 1 1 65 GLU HG3 H -12.486 -8.233 -8.681 1.00 . A A . 65 GLU HG3 1 1 4 3882 1 1 65 GLU N N -12.745 -9.544 -4.600 1.00 . A A . 65 GLU N 1 1 4 3883 1 1 65 GLU O O -13.614 -10.907 -7.861 1.00 . A A . 65 GLU O 1 1 4 3884 1 1 65 GLU OE1 O -10.626 -6.567 -9.324 1.00 . A A . 65 GLU OE1 1 1 4 3885 1 1 65 GLU OE2 O -9.263 -7.759 -7.984 1.00 . A A . 65 GLU OE2 1 1 4 3886 1 1 66 ILE C C -13.711 -13.880 -6.480 1.00 . A A . 66 ILE C 1 1 4 3887 1 1 66 ILE CA C -12.433 -13.215 -6.961 1.00 . A A . 66 ILE CA 1 1 4 3888 1 1 66 ILE CB C -11.256 -14.156 -6.682 1.00 . A A . 66 ILE CB 1 1 4 3889 1 1 66 ILE CD1 C -8.707 -14.139 -6.527 1.00 . A A . 66 ILE CD1 1 1 4 3890 1 1 66 ILE CG1 C -9.942 -13.579 -7.237 1.00 . A A . 66 ILE CG1 1 1 4 3891 1 1 66 ILE CG2 C -11.479 -15.544 -7.324 1.00 . A A . 66 ILE CG2 1 1 4 3892 1 1 66 ILE H H -11.792 -11.795 -5.489 1.00 . A A . 66 ILE H 1 1 4 3893 1 1 66 ILE HA H -12.504 -13.106 -8.030 1.00 . A A . 66 ILE HA 1 1 4 3894 1 1 66 ILE HB H -11.147 -14.291 -5.583 1.00 . A A . 66 ILE HB 1 1 4 3895 1 1 66 ILE HD11 H -7.775 -13.779 -7.013 1.00 . A A . 66 ILE HD11 1 1 4 3896 1 1 66 ILE HD12 H -8.707 -15.248 -6.569 1.00 . A A . 66 ILE HD12 1 1 4 3897 1 1 66 ILE HD13 H -8.689 -13.830 -5.460 1.00 . A A . 66 ILE HD13 1 1 4 3898 1 1 66 ILE HG12 H -9.886 -13.807 -8.323 1.00 . A A . 66 ILE HG12 1 1 4 3899 1 1 66 ILE HG13 H -9.940 -12.476 -7.158 1.00 . A A . 66 ILE HG13 1 1 4 3900 1 1 66 ILE HG21 H -12.398 -16.041 -6.962 1.00 . A A . 66 ILE HG21 1 1 4 3901 1 1 66 ILE HG22 H -10.626 -16.215 -7.088 1.00 . A A . 66 ILE HG22 1 1 4 3902 1 1 66 ILE HG23 H -11.543 -15.450 -8.428 1.00 . A A . 66 ILE HG23 1 1 4 3903 1 1 66 ILE N N -12.307 -11.887 -6.343 1.00 . A A . 66 ILE N 1 1 4 3904 1 1 66 ILE O O -14.607 -14.189 -7.265 1.00 . A A . 66 ILE O 1 1 4 3905 1 1 67 GLU C C -15.255 -14.232 -3.217 1.00 . A A . 67 GLU C 1 1 4 3906 1 1 67 GLU CA C -15.063 -14.798 -4.635 1.00 . A A . 67 GLU CA 1 1 4 3907 1 1 67 GLU CB C -14.992 -16.350 -4.519 1.00 . A A . 67 GLU CB 1 1 4 3908 1 1 67 GLU CD C -15.287 -18.612 -5.674 1.00 . A A . 67 GLU CD 1 1 4 3909 1 1 67 GLU CG C -15.171 -17.098 -5.859 1.00 . A A . 67 GLU CG 1 1 4 3910 1 1 67 GLU H H -13.310 -13.803 -4.424 1.00 . A A . 67 GLU H 1 1 4 3911 1 1 67 GLU HA H -15.928 -14.505 -5.215 1.00 . A A . 67 GLU HA 1 1 4 3912 1 1 67 GLU HB2 H -14.022 -16.621 -4.048 1.00 . A A . 67 GLU HB2 1 1 4 3913 1 1 67 GLU HB3 H -15.808 -16.695 -3.839 1.00 . A A . 67 GLU HB3 1 1 4 3914 1 1 67 GLU HE2 H -15.533 -18.603 -7.600 1.00 . A A . 67 GLU HE2 1 1 4 3915 1 1 67 GLU HG2 H -16.096 -16.737 -6.361 1.00 . A A . 67 GLU HG2 1 1 4 3916 1 1 67 GLU HG3 H -14.301 -16.867 -6.501 1.00 . A A . 67 GLU HG3 1 1 4 3917 1 1 67 GLU N N -13.871 -14.164 -5.171 1.00 . A A . 67 GLU N 1 1 4 3918 1 1 67 GLU O O -14.340 -13.514 -2.734 1.00 . A A . 67 GLU O 1 1 4 3919 1 1 67 GLU OXT O -16.318 -14.529 -2.602 1.00 . A A . 67 GLU OXT 1 1 4 3920 1 1 67 GLU OE1 O -15.249 -19.234 -4.635 1.00 . A A . 67 GLU OE1 1 1 4 3921 1 1 67 GLU OE2 O -15.479 -19.236 -6.886 1.00 . A A . 67 GLU OE2 1 1 4 3922 2 2 1 CL CL CL 3.267 -13.001 5.766 1.00 . B A . 68 CL CL 1 1 4 3923 3 2 1 CL CL CL -3.795 -10.112 -7.345 1.00 . C A . 69 CL CL 1 1 4 3924 4 2 1 CL CL CL 7.011 9.428 -5.533 1.00 . D A . 70 CL CL 1 1 4 3925 5 2 1 CL CL CL 10.953 0.588 -10.260 1.00 . E A . 71 CL CL 1 1 4 3926 6 2 1 CL CL CL 5.182 11.274 -1.609 1.00 . F A . 72 CL CL 1 1 4 3927 7 2 1 CL CL CL -11.583 -14.107 7.940 1.00 . G A . 73 CL CL 1 1 4 3928 8 2 1 CL CL CL 6.909 0.665 9.045 1.00 . H A . 74 CL CL 1 1 4 3929 9 2 1 CL CL CL -9.691 -0.169 8.557 1.00 . I A . 75 CL CL 1 1 4 3930 10 2 1 CL CL CL -8.537 -4.875 -3.688 1.00 . J A . 76 CL CL 1 1 4 3931 11 2 1 CL CL CL -1.271 13.315 12.051 1.00 . K A . 77 CL CL 1 1 4 3932 12 2 1 CL CL CL 9.573 -5.570 -5.024 1.00 . L A . 78 CL CL 1 1 5 3933 1 1 1 GLY C C -8.518 -10.520 7.476 1.00 . A A . 1 GLY C 1 1 5 3934 1 1 1 GLY CA C -8.182 -10.102 6.083 1.00 . A A . 1 GLY CA 1 1 5 3935 1 1 1 GLY H1 H -9.098 -10.070 4.215 1.00 . A A . 1 GLY H1 1 1 5 3936 1 1 1 GLY H2 H -10.088 -9.522 5.487 1.00 . A A . 1 GLY H2 1 1 5 3937 1 1 1 GLY H3 H -9.781 -11.184 5.302 1.00 . A A . 1 GLY H3 1 1 5 3938 1 1 1 GLY HA2 H -7.430 -10.767 5.685 1.00 . A A . 1 GLY HA2 1 1 5 3939 1 1 1 GLY HA3 H -7.896 -9.060 6.083 1.00 . A A . 1 GLY HA3 1 1 5 3940 1 1 1 GLY N N -9.375 -10.227 5.207 1.00 . A A . 1 GLY N 1 1 5 3941 1 1 1 GLY O O -9.146 -9.783 8.233 1.00 . A A . 1 GLY O 1 1 5 3942 1 1 2 ASP C C -7.475 -13.437 9.425 1.00 . A A . 2 ASP C 1 1 5 3943 1 1 2 ASP CA C -8.509 -12.370 9.106 1.00 . A A . 2 ASP CA 1 1 5 3944 1 1 2 ASP CB C -9.878 -13.097 8.973 1.00 . A A . 2 ASP CB 1 1 5 3945 1 1 2 ASP CG C -11.008 -12.137 8.652 1.00 . A A . 2 ASP CG 1 1 5 3946 1 1 2 ASP H H -7.599 -12.317 7.214 1.00 . A A . 2 ASP H 1 1 5 3947 1 1 2 ASP HA H -8.489 -11.652 9.919 1.00 . A A . 2 ASP HA 1 1 5 3948 1 1 2 ASP HB2 H -9.844 -13.847 8.155 1.00 . A A . 2 ASP HB2 1 1 5 3949 1 1 2 ASP HB3 H -10.123 -13.624 9.920 1.00 . A A . 2 ASP HB3 1 1 5 3950 1 1 2 ASP HD2 H -12.130 -10.842 9.521 1.00 . A A . 2 ASP HD2 1 1 5 3951 1 1 2 ASP N N -8.114 -11.739 7.864 1.00 . A A . 2 ASP N 1 1 5 3952 1 1 2 ASP O O -7.788 -14.604 9.665 1.00 . A A . 2 ASP O 1 1 5 3953 1 1 2 ASP OD1 O -11.508 -11.955 7.555 1.00 . A A . 2 ASP OD1 1 1 5 3954 1 1 2 ASP OD2 O -11.429 -11.457 9.755 1.00 . A A . 2 ASP OD2 1 1 5 3955 1 1 3 ASP C C -3.914 -13.065 10.287 1.00 . A A . 3 ASP C 1 1 5 3956 1 1 3 ASP CA C -5.092 -13.902 9.816 1.00 . A A . 3 ASP CA 1 1 5 3957 1 1 3 ASP CB C -4.708 -14.870 8.657 1.00 . A A . 3 ASP CB 1 1 5 3958 1 1 3 ASP CG C -3.964 -16.093 9.179 1.00 . A A . 3 ASP CG 1 1 5 3959 1 1 3 ASP H H -6.011 -12.064 9.350 1.00 . A A . 3 ASP H 1 1 5 3960 1 1 3 ASP HA H -5.410 -14.471 10.676 1.00 . A A . 3 ASP HA 1 1 5 3961 1 1 3 ASP HB2 H -5.646 -15.247 8.189 1.00 . A A . 3 ASP HB2 1 1 5 3962 1 1 3 ASP HB3 H -4.127 -14.361 7.867 1.00 . A A . 3 ASP HB3 1 1 5 3963 1 1 3 ASP HD2 H -2.507 -17.279 8.674 1.00 . A A . 3 ASP HD2 1 1 5 3964 1 1 3 ASP N N -6.195 -13.043 9.449 1.00 . A A . 3 ASP N 1 1 5 3965 1 1 3 ASP O O -3.547 -13.094 11.460 1.00 . A A . 3 ASP O 1 1 5 3966 1 1 3 ASP OD1 O -4.199 -16.682 10.220 1.00 . A A . 3 ASP OD1 1 1 5 3967 1 1 3 ASP OD2 O -2.989 -16.514 8.318 1.00 . A A . 3 ASP OD2 1 1 5 3968 1 1 4 VAL C C -2.447 -10.063 9.312 1.00 . A A . 4 VAL C 1 1 5 3969 1 1 4 VAL CA C -2.110 -11.504 9.637 1.00 . A A . 4 VAL CA 1 1 5 3970 1 1 4 VAL CB C -0.938 -11.931 8.763 1.00 . A A . 4 VAL CB 1 1 5 3971 1 1 4 VAL CG1 C 0.381 -11.374 9.323 1.00 . A A . 4 VAL CG1 1 1 5 3972 1 1 4 VAL CG2 C -0.844 -13.464 8.726 1.00 . A A . 4 VAL CG2 1 1 5 3973 1 1 4 VAL H H -3.640 -12.175 8.461 1.00 . A A . 4 VAL H 1 1 5 3974 1 1 4 VAL HA H -1.830 -11.566 10.676 1.00 . A A . 4 VAL HA 1 1 5 3975 1 1 4 VAL HB H -1.087 -11.564 7.722 1.00 . A A . 4 VAL HB 1 1 5 3976 1 1 4 VAL HG11 H 1.236 -11.732 8.713 1.00 . A A . 4 VAL HG11 1 1 5 3977 1 1 4 VAL HG12 H 0.532 -11.721 10.367 1.00 . A A . 4 VAL HG12 1 1 5 3978 1 1 4 VAL HG13 H 0.396 -10.271 9.313 1.00 . A A . 4 VAL HG13 1 1 5 3979 1 1 4 VAL HG21 H -1.678 -13.919 8.155 1.00 . A A . 4 VAL HG21 1 1 5 3980 1 1 4 VAL HG22 H -0.846 -13.870 9.760 1.00 . A A . 4 VAL HG22 1 1 5 3981 1 1 4 VAL HG23 H 0.108 -13.766 8.239 1.00 . A A . 4 VAL HG23 1 1 5 3982 1 1 4 VAL N N -3.297 -12.292 9.382 1.00 . A A . 4 VAL N 1 1 5 3983 1 1 4 VAL O O -3.086 -9.781 8.302 1.00 . A A . 4 VAL O 1 1 5 3984 1 1 5 LYS C C -1.252 -6.904 9.372 1.00 . A A . 5 LYS C 1 1 5 3985 1 1 5 LYS CA C -2.375 -7.700 10.010 1.00 . A A . 5 LYS CA 1 1 5 3986 1 1 5 LYS CB C -2.680 -7.111 11.394 1.00 . A A . 5 LYS CB 1 1 5 3987 1 1 5 LYS CD C -4.004 -7.230 13.540 1.00 . A A . 5 LYS CD 1 1 5 3988 1 1 5 LYS CE C -4.925 -8.065 14.422 1.00 . A A . 5 LYS CE 1 1 5 3989 1 1 5 LYS CG C -3.832 -7.807 12.131 1.00 . A A . 5 LYS CG 1 1 5 3990 1 1 5 LYS H H -1.528 -9.338 10.987 1.00 . A A . 5 LYS H 1 1 5 3991 1 1 5 LYS HA H -3.232 -7.604 9.366 1.00 . A A . 5 LYS HA 1 1 5 3992 1 1 5 LYS HB2 H -1.763 -7.210 12.013 1.00 . A A . 5 LYS HB2 1 1 5 3993 1 1 5 LYS HB3 H -2.905 -6.029 11.307 1.00 . A A . 5 LYS HB3 1 1 5 3994 1 1 5 LYS HD2 H -2.998 -7.199 14.018 1.00 . A A . 5 LYS HD2 1 1 5 3995 1 1 5 LYS HD3 H -4.378 -6.184 13.469 1.00 . A A . 5 LYS HD3 1 1 5 3996 1 1 5 LYS HE2 H -5.958 -8.093 14.018 1.00 . A A . 5 LYS HE2 1 1 5 3997 1 1 5 LYS HE3 H -4.537 -9.101 14.516 1.00 . A A . 5 LYS HE3 1 1 5 3998 1 1 5 LYS HG2 H -4.774 -7.714 11.549 1.00 . A A . 5 LYS HG2 1 1 5 3999 1 1 5 LYS HG3 H -3.614 -8.894 12.222 1.00 . A A . 5 LYS HG3 1 1 5 4000 1 1 5 LYS HZ1 H -5.552 -8.098 16.396 1.00 . A A . 5 LYS HZ1 1 1 5 4001 1 1 5 LYS HZ2 H -5.411 -6.541 15.737 1.00 . A A . 5 LYS HZ2 1 1 5 4002 1 1 5 LYS HZ3 H -4.016 -7.413 16.165 1.00 . A A . 5 LYS HZ3 1 1 5 4003 1 1 5 LYS N N -2.033 -9.103 10.157 1.00 . A A . 5 LYS N 1 1 5 4004 1 1 5 LYS NZ N -4.979 -7.485 15.779 1.00 . A A . 5 LYS NZ 1 1 5 4005 1 1 5 LYS O O -1.178 -5.673 9.452 1.00 . A A . 5 LYS O 1 1 5 4006 1 1 6 SER C C 0.277 -6.290 6.705 1.00 . A A . 6 SER C 1 1 5 4007 1 1 6 SER CA C 0.729 -7.159 7.864 1.00 . A A . 6 SER CA 1 1 5 4008 1 1 6 SER CB C 1.633 -8.319 7.365 1.00 . A A . 6 SER CB 1 1 5 4009 1 1 6 SER H H -0.515 -8.614 8.713 1.00 . A A . 6 SER H 1 1 5 4010 1 1 6 SER HA H 1.352 -6.525 8.477 1.00 . A A . 6 SER HA 1 1 5 4011 1 1 6 SER HB2 H 2.492 -7.944 6.770 1.00 . A A . 6 SER HB2 1 1 5 4012 1 1 6 SER HB3 H 2.055 -8.833 8.255 1.00 . A A . 6 SER HB3 1 1 5 4013 1 1 6 SER HG H 1.594 -9.893 6.268 1.00 . A A . 6 SER HG 1 1 5 4014 1 1 6 SER N N -0.352 -7.637 8.707 1.00 . A A . 6 SER N 1 1 5 4015 1 1 6 SER O O -0.909 -6.176 6.384 1.00 . A A . 6 SER O 1 1 5 4016 1 1 6 SER OG O 0.912 -9.282 6.591 1.00 . A A . 6 SER OG 1 1 5 4017 1 1 7 ALA C C 0.398 -5.774 3.687 1.00 . A A . 7 ALA C 1 1 5 4018 1 1 7 ALA CA C 0.976 -4.904 4.801 1.00 . A A . 7 ALA CA 1 1 5 4019 1 1 7 ALA CB C 2.300 -4.270 4.333 1.00 . A A . 7 ALA CB 1 1 5 4020 1 1 7 ALA H H 2.185 -5.650 6.327 1.00 . A A . 7 ALA H 1 1 5 4021 1 1 7 ALA HA H 0.249 -4.131 5.010 1.00 . A A . 7 ALA HA 1 1 5 4022 1 1 7 ALA HB1 H 2.168 -3.620 3.445 1.00 . A A . 7 ALA HB1 1 1 5 4023 1 1 7 ALA HB2 H 3.052 -5.055 4.090 1.00 . A A . 7 ALA HB2 1 1 5 4024 1 1 7 ALA HB3 H 2.721 -3.652 5.156 1.00 . A A . 7 ALA HB3 1 1 5 4025 1 1 7 ALA N N 1.229 -5.633 6.024 1.00 . A A . 7 ALA N 1 1 5 4026 1 1 7 ALA O O 0.431 -7.002 3.713 1.00 . A A . 7 ALA O 1 1 5 4027 1 1 8 CYS C C -0.477 -4.988 0.302 1.00 . A A . 8 CYS C 1 1 5 4028 1 1 8 CYS CA C -0.646 -5.882 1.506 1.00 . A A . 8 CYS CA 1 1 5 4029 1 1 8 CYS CB C -2.102 -6.409 1.666 1.00 . A A . 8 CYS CB 1 1 5 4030 1 1 8 CYS H H -0.296 -4.165 2.658 1.00 . A A . 8 CYS H 1 1 5 4031 1 1 8 CYS HA H -0.003 -6.734 1.345 1.00 . A A . 8 CYS HA 1 1 5 4032 1 1 8 CYS HB2 H -2.244 -7.228 0.927 1.00 . A A . 8 CYS HB2 1 1 5 4033 1 1 8 CYS HB3 H -2.193 -6.875 2.674 1.00 . A A . 8 CYS HB3 1 1 5 4034 1 1 8 CYS N N -0.194 -5.153 2.666 1.00 . A A . 8 CYS N 1 1 5 4035 1 1 8 CYS O O -0.548 -3.761 0.428 1.00 . A A . 8 CYS O 1 1 5 4036 1 1 8 CYS SG S -3.426 -5.165 1.459 1.00 . A A . 8 CYS SG 1 1 5 4037 1 1 9 CYS C C -0.310 -5.490 -3.343 1.00 . A A . 9 CYS C 1 1 5 4038 1 1 9 CYS CA C -0.100 -4.722 -2.057 1.00 . A A . 9 CYS CA 1 1 5 4039 1 1 9 CYS CB C 1.304 -4.074 -2.111 1.00 . A A . 9 CYS CB 1 1 5 4040 1 1 9 CYS H H -0.049 -6.544 -1.021 1.00 . A A . 9 CYS H 1 1 5 4041 1 1 9 CYS HA H -0.867 -3.967 -2.005 1.00 . A A . 9 CYS HA 1 1 5 4042 1 1 9 CYS HB2 H 1.529 -3.667 -1.101 1.00 . A A . 9 CYS HB2 1 1 5 4043 1 1 9 CYS HB3 H 2.060 -4.864 -2.314 1.00 . A A . 9 CYS HB3 1 1 5 4044 1 1 9 CYS N N -0.231 -5.561 -0.894 1.00 . A A . 9 CYS N 1 1 5 4045 1 1 9 CYS O O 0.300 -6.526 -3.559 1.00 . A A . 9 CYS O 1 1 5 4046 1 1 9 CYS SG S 1.371 -2.727 -3.323 1.00 . A A . 9 CYS SG 1 1 5 4047 1 1 10 ASP C C -0.431 -4.824 -6.666 1.00 . A A . 10 ASP C 1 1 5 4048 1 1 10 ASP CA C -1.267 -5.541 -5.606 1.00 . A A . 10 ASP CA 1 1 5 4049 1 1 10 ASP CB C -2.750 -5.579 -6.033 1.00 . A A . 10 ASP CB 1 1 5 4050 1 1 10 ASP CG C -3.418 -4.229 -5.966 1.00 . A A . 10 ASP CG 1 1 5 4051 1 1 10 ASP H H -1.814 -4.266 -4.059 1.00 . A A . 10 ASP H 1 1 5 4052 1 1 10 ASP HA H -0.908 -6.563 -5.605 1.00 . A A . 10 ASP HA 1 1 5 4053 1 1 10 ASP HB2 H -2.854 -6.042 -7.023 1.00 . A A . 10 ASP HB2 1 1 5 4054 1 1 10 ASP HB3 H -3.271 -6.235 -5.313 1.00 . A A . 10 ASP HB3 1 1 5 4055 1 1 10 ASP HD2 H -3.055 -3.996 -7.883 1.00 . A A . 10 ASP HD2 1 1 5 4056 1 1 10 ASP N N -1.157 -4.988 -4.265 1.00 . A A . 10 ASP N 1 1 5 4057 1 1 10 ASP O O -0.064 -5.408 -7.678 1.00 . A A . 10 ASP O 1 1 5 4058 1 1 10 ASP OD1 O -3.712 -3.691 -4.918 1.00 . A A . 10 ASP OD1 1 1 5 4059 1 1 10 ASP OD2 O -3.629 -3.642 -7.182 1.00 . A A . 10 ASP OD2 1 1 5 4060 1 1 11 THR C C 1.057 -1.504 -6.862 1.00 . A A . 11 THR C 1 1 5 4061 1 1 11 THR CA C 0.358 -2.662 -7.521 1.00 . A A . 11 THR CA 1 1 5 4062 1 1 11 THR CB C -0.759 -2.050 -8.360 1.00 . A A . 11 THR CB 1 1 5 4063 1 1 11 THR CG2 C -0.230 -1.203 -9.518 1.00 . A A . 11 THR CG2 1 1 5 4064 1 1 11 THR H H -0.416 -3.087 -5.628 1.00 . A A . 11 THR H 1 1 5 4065 1 1 11 THR HA H 1.079 -3.181 -8.135 1.00 . A A . 11 THR HA 1 1 5 4066 1 1 11 THR HB H -1.406 -1.419 -7.705 1.00 . A A . 11 THR HB 1 1 5 4067 1 1 11 THR HG1 H -1.043 -3.552 -9.571 1.00 . A A . 11 THR HG1 1 1 5 4068 1 1 11 THR HG21 H 0.326 -0.318 -9.152 1.00 . A A . 11 THR HG21 1 1 5 4069 1 1 11 THR HG22 H -1.078 -0.821 -10.126 1.00 . A A . 11 THR HG22 1 1 5 4070 1 1 11 THR HG23 H 0.433 -1.800 -10.178 1.00 . A A . 11 THR HG23 1 1 5 4071 1 1 11 THR N N -0.127 -3.534 -6.461 1.00 . A A . 11 THR N 1 1 5 4072 1 1 11 THR O O 0.567 -0.903 -5.902 1.00 . A A . 11 THR O 1 1 5 4073 1 1 11 THR OG1 O -1.594 -3.050 -8.936 1.00 . A A . 11 THR OG1 1 1 5 4074 1 1 12 CYS C C 4.153 0.423 -7.424 1.00 . A A . 12 CYS C 1 1 5 4075 1 1 12 CYS CA C 3.167 -0.355 -6.594 1.00 . A A . 12 CYS CA 1 1 5 4076 1 1 12 CYS CB C 3.946 -1.272 -5.618 1.00 . A A . 12 CYS CB 1 1 5 4077 1 1 12 CYS H H 2.668 -1.626 -8.117 1.00 . A A . 12 CYS H 1 1 5 4078 1 1 12 CYS HA H 2.618 0.379 -6.034 1.00 . A A . 12 CYS HA 1 1 5 4079 1 1 12 CYS HB2 H 4.531 -0.631 -4.922 1.00 . A A . 12 CYS HB2 1 1 5 4080 1 1 12 CYS HB3 H 3.176 -1.838 -5.054 1.00 . A A . 12 CYS HB3 1 1 5 4081 1 1 12 CYS N N 2.246 -1.136 -7.369 1.00 . A A . 12 CYS N 1 1 5 4082 1 1 12 CYS O O 4.749 -0.060 -8.385 1.00 . A A . 12 CYS O 1 1 5 4083 1 1 12 CYS SG S 5.059 -2.509 -6.353 1.00 . A A . 12 CYS SG 1 1 5 4084 1 1 13 LEU C C 6.575 2.418 -6.821 1.00 . A A . 13 LEU C 1 1 5 4085 1 1 13 LEU CA C 5.289 2.600 -7.580 1.00 . A A . 13 LEU CA 1 1 5 4086 1 1 13 LEU CB C 4.802 4.056 -7.496 1.00 . A A . 13 LEU CB 1 1 5 4087 1 1 13 LEU CD1 C 5.863 5.117 -9.530 1.00 . A A . 13 LEU CD1 1 1 5 4088 1 1 13 LEU CD2 C 5.414 6.518 -7.489 1.00 . A A . 13 LEU CD2 1 1 5 4089 1 1 13 LEU CG C 5.801 5.121 -7.997 1.00 . A A . 13 LEU CG 1 1 5 4090 1 1 13 LEU H H 3.841 2.035 -6.232 1.00 . A A . 13 LEU H 1 1 5 4091 1 1 13 LEU HA H 5.481 2.361 -8.613 1.00 . A A . 13 LEU HA 1 1 5 4092 1 1 13 LEU HB2 H 3.896 4.127 -8.142 1.00 . A A . 13 LEU HB2 1 1 5 4093 1 1 13 LEU HB3 H 4.490 4.277 -6.453 1.00 . A A . 13 LEU HB3 1 1 5 4094 1 1 13 LEU HD11 H 6.594 5.867 -9.892 1.00 . A A . 13 LEU HD11 1 1 5 4095 1 1 13 LEU HD12 H 4.861 5.370 -9.940 1.00 . A A . 13 LEU HD12 1 1 5 4096 1 1 13 LEU HD13 H 6.153 4.123 -9.923 1.00 . A A . 13 LEU HD13 1 1 5 4097 1 1 13 LEU HD21 H 6.117 7.279 -7.888 1.00 . A A . 13 LEU HD21 1 1 5 4098 1 1 13 LEU HD22 H 5.447 6.558 -6.382 1.00 . A A . 13 LEU HD22 1 1 5 4099 1 1 13 LEU HD23 H 4.390 6.781 -7.824 1.00 . A A . 13 LEU HD23 1 1 5 4100 1 1 13 LEU HG H 6.820 4.901 -7.600 1.00 . A A . 13 LEU HG 1 1 5 4101 1 1 13 LEU N N 4.301 1.703 -7.059 1.00 . A A . 13 LEU N 1 1 5 4102 1 1 13 LEU O O 6.693 2.774 -5.646 1.00 . A A . 13 LEU O 1 1 5 4103 1 1 14 CYS C C 9.767 2.921 -7.357 1.00 . A A . 14 CYS C 1 1 5 4104 1 1 14 CYS CA C 8.915 1.764 -6.938 1.00 . A A . 14 CYS CA 1 1 5 4105 1 1 14 CYS CB C 9.641 0.445 -7.266 1.00 . A A . 14 CYS CB 1 1 5 4106 1 1 14 CYS H H 7.439 1.502 -8.406 1.00 . A A . 14 CYS H 1 1 5 4107 1 1 14 CYS HA H 8.858 1.837 -5.871 1.00 . A A . 14 CYS HA 1 1 5 4108 1 1 14 CYS HB2 H 9.556 0.235 -8.350 1.00 . A A . 14 CYS HB2 1 1 5 4109 1 1 14 CYS HB3 H 10.720 0.565 -7.060 1.00 . A A . 14 CYS HB3 1 1 5 4110 1 1 14 CYS N N 7.588 1.852 -7.481 1.00 . A A . 14 CYS N 1 1 5 4111 1 1 14 CYS O O 9.843 3.306 -8.523 1.00 . A A . 14 CYS O 1 1 5 4112 1 1 14 CYS SG S 9.043 -0.955 -6.277 1.00 . A A . 14 CYS SG 1 1 5 4113 1 1 15 THR C C 12.739 3.886 -7.202 1.00 . A A . 15 THR C 1 1 5 4114 1 1 15 THR CA C 11.492 4.484 -6.612 1.00 . A A . 15 THR CA 1 1 5 4115 1 1 15 THR CB C 11.910 5.257 -5.378 1.00 . A A . 15 THR CB 1 1 5 4116 1 1 15 THR CG2 C 10.723 6.104 -4.908 1.00 . A A . 15 THR CG2 1 1 5 4117 1 1 15 THR H H 10.358 3.172 -5.428 1.00 . A A . 15 THR H 1 1 5 4118 1 1 15 THR HA H 11.107 5.206 -7.321 1.00 . A A . 15 THR HA 1 1 5 4119 1 1 15 THR HB H 12.766 5.928 -5.635 1.00 . A A . 15 THR HB 1 1 5 4120 1 1 15 THR HG1 H 11.443 4.179 -3.879 1.00 . A A . 15 THR HG1 1 1 5 4121 1 1 15 THR HG21 H 10.379 6.761 -5.735 1.00 . A A . 15 THR HG21 1 1 5 4122 1 1 15 THR HG22 H 11.026 6.747 -4.052 1.00 . A A . 15 THR HG22 1 1 5 4123 1 1 15 THR HG23 H 9.859 5.486 -4.590 1.00 . A A . 15 THR HG23 1 1 5 4124 1 1 15 THR N N 10.484 3.473 -6.375 1.00 . A A . 15 THR N 1 1 5 4125 1 1 15 THR O O 13.152 2.764 -6.895 1.00 . A A . 15 THR O 1 1 5 4126 1 1 15 THR OG1 O 12.291 4.410 -4.299 1.00 . A A . 15 THR OG1 1 1 5 4127 1 1 16 ARG C C 15.670 4.967 -7.508 1.00 . A A . 16 ARG C 1 1 5 4128 1 1 16 ARG CA C 14.726 4.381 -8.542 1.00 . A A . 16 ARG CA 1 1 5 4129 1 1 16 ARG CB C 14.955 4.912 -9.966 1.00 . A A . 16 ARG CB 1 1 5 4130 1 1 16 ARG CD C 14.184 4.668 -12.412 1.00 . A A . 16 ARG CD 1 1 5 4131 1 1 16 ARG CG C 13.991 4.236 -10.956 1.00 . A A . 16 ARG CG 1 1 5 4132 1 1 16 ARG CZ C 13.014 4.161 -14.574 1.00 . A A . 16 ARG CZ 1 1 5 4133 1 1 16 ARG H H 13.013 5.528 -8.351 1.00 . A A . 16 ARG H 1 1 5 4134 1 1 16 ARG HA H 14.870 3.313 -8.570 1.00 . A A . 16 ARG HA 1 1 5 4135 1 1 16 ARG HB2 H 14.810 6.013 -9.990 1.00 . A A . 16 ARG HB2 1 1 5 4136 1 1 16 ARG HB3 H 15.993 4.682 -10.286 1.00 . A A . 16 ARG HB3 1 1 5 4137 1 1 16 ARG HD2 H 14.079 5.769 -12.515 1.00 . A A . 16 ARG HD2 1 1 5 4138 1 1 16 ARG HD3 H 15.173 4.340 -12.796 1.00 . A A . 16 ARG HD3 1 1 5 4139 1 1 16 ARG HE H 12.357 3.552 -12.739 1.00 . A A . 16 ARG HE 1 1 5 4140 1 1 16 ARG HG2 H 14.150 3.138 -10.886 1.00 . A A . 16 ARG HG2 1 1 5 4141 1 1 16 ARG HG3 H 12.942 4.455 -10.655 1.00 . A A . 16 ARG HG3 1 1 5 4142 1 1 16 ARG HH11 H 14.800 5.143 -14.791 1.00 . A A . 16 ARG HH11 1 1 5 4143 1 1 16 ARG HH12 H 13.879 4.955 -16.252 1.00 . A A . 16 ARG HH12 1 1 5 4144 1 1 16 ARG HH21 H 11.193 3.224 -14.712 1.00 . A A . 16 ARG HH21 1 1 5 4145 1 1 16 ARG HH22 H 11.843 3.791 -16.219 1.00 . A A . 16 ARG HH22 1 1 5 4146 1 1 16 ARG N N 13.380 4.640 -8.102 1.00 . A A . 16 ARG N 1 1 5 4147 1 1 16 ARG NE N 13.101 4.015 -13.218 1.00 . A A . 16 ARG NE 1 1 5 4148 1 1 16 ARG NH1 N 13.998 4.792 -15.271 1.00 . A A . 16 ARG NH1 1 1 5 4149 1 1 16 ARG NH2 N 11.920 3.676 -15.229 1.00 . A A . 16 ARG NH2 1 1 5 4150 1 1 16 ARG O O 15.660 6.170 -7.248 1.00 . A A . 16 ARG O 1 1 5 4151 1 1 17 SER C C 17.996 3.253 -5.269 1.00 . A A . 17 SER C 1 1 5 4152 1 1 17 SER CA C 17.204 4.469 -5.654 1.00 . A A . 17 SER CA 1 1 5 4153 1 1 17 SER CB C 16.302 4.890 -4.451 1.00 . A A . 17 SER CB 1 1 5 4154 1 1 17 SER H H 16.515 3.154 -7.113 1.00 . A A . 17 SER H 1 1 5 4155 1 1 17 SER HA H 17.893 5.258 -5.903 1.00 . A A . 17 SER HA 1 1 5 4156 1 1 17 SER HB2 H 15.516 5.575 -4.824 1.00 . A A . 17 SER HB2 1 1 5 4157 1 1 17 SER HB3 H 15.792 4.002 -4.031 1.00 . A A . 17 SER HB3 1 1 5 4158 1 1 17 SER HG H 16.299 5.943 -2.841 1.00 . A A . 17 SER HG 1 1 5 4159 1 1 17 SER N N 16.451 4.113 -6.837 1.00 . A A . 17 SER N 1 1 5 4160 1 1 17 SER O O 17.961 2.229 -5.949 1.00 . A A . 17 SER O 1 1 5 4161 1 1 17 SER OG O 17.010 5.566 -3.404 1.00 . A A . 17 SER OG 1 1 5 4162 1 1 18 GLN C C 19.716 2.442 -2.153 1.00 . A A . 18 GLN C 1 1 5 4163 1 1 18 GLN CA C 19.500 2.231 -3.651 1.00 . A A . 18 GLN CA 1 1 5 4164 1 1 18 GLN CB C 20.845 2.134 -4.392 1.00 . A A . 18 GLN CB 1 1 5 4165 1 1 18 GLN CD C 21.632 0.018 -3.172 1.00 . A A . 18 GLN CD 1 1 5 4166 1 1 18 GLN CG C 21.367 0.684 -4.522 1.00 . A A . 18 GLN CG 1 1 5 4167 1 1 18 GLN H H 18.741 4.190 -3.678 1.00 . A A . 18 GLN H 1 1 5 4168 1 1 18 GLN HA H 18.952 1.320 -3.829 1.00 . A A . 18 GLN HA 1 1 5 4169 1 1 18 GLN HB2 H 20.674 2.517 -5.425 1.00 . A A . 18 GLN HB2 1 1 5 4170 1 1 18 GLN HB3 H 21.599 2.810 -3.940 1.00 . A A . 18 GLN HB3 1 1 5 4171 1 1 18 GLN HE21 H 23.032 1.421 -2.718 1.00 . A A . 18 GLN HE21 1 1 5 4172 1 1 18 GLN HE22 H 22.842 0.126 -1.546 1.00 . A A . 18 GLN HE22 1 1 5 4173 1 1 18 GLN HG2 H 20.620 0.065 -5.066 1.00 . A A . 18 GLN HG2 1 1 5 4174 1 1 18 GLN HG3 H 22.309 0.679 -5.109 1.00 . A A . 18 GLN HG3 1 1 5 4175 1 1 18 GLN N N 18.728 3.326 -4.165 1.00 . A A . 18 GLN N 1 1 5 4176 1 1 18 GLN NE2 N 22.603 0.564 -2.414 1.00 . A A . 18 GLN NE2 1 1 5 4177 1 1 18 GLN O O 20.502 3.310 -1.777 1.00 . A A . 18 GLN O 1 1 5 4178 1 1 18 GLN OE1 O 20.974 -0.966 -2.814 1.00 . A A . 18 GLN OE1 1 1 5 4179 1 1 19 PRO C C 16.765 1.396 -2.123 1.00 . A A . 19 PRO C 1 1 5 4180 1 1 19 PRO CA C 18.001 0.743 -1.520 1.00 . A A . 19 PRO CA 1 1 5 4181 1 1 19 PRO CB C 17.696 0.172 -0.124 1.00 . A A . 19 PRO CB 1 1 5 4182 1 1 19 PRO CD C 19.228 1.969 0.181 1.00 . A A . 19 PRO CD 1 1 5 4183 1 1 19 PRO CG C 17.994 1.338 0.824 1.00 . A A . 19 PRO CG 1 1 5 4184 1 1 19 PRO HA H 18.383 0.001 -2.204 1.00 . A A . 19 PRO HA 1 1 5 4185 1 1 19 PRO HB2 H 16.650 -0.197 -0.018 1.00 . A A . 19 PRO HB2 1 1 5 4186 1 1 19 PRO HB3 H 18.420 -0.652 0.094 1.00 . A A . 19 PRO HB3 1 1 5 4187 1 1 19 PRO HD2 H 19.289 3.056 0.409 1.00 . A A . 19 PRO HD2 1 1 5 4188 1 1 19 PRO HD3 H 20.156 1.458 0.516 1.00 . A A . 19 PRO HD3 1 1 5 4189 1 1 19 PRO HG2 H 17.149 2.061 0.800 1.00 . A A . 19 PRO HG2 1 1 5 4190 1 1 19 PRO HG3 H 18.165 1.012 1.867 1.00 . A A . 19 PRO HG3 1 1 5 4191 1 1 19 PRO N N 19.051 1.724 -1.252 1.00 . A A . 19 PRO N 1 1 5 4192 1 1 19 PRO O O 16.564 2.591 -1.884 1.00 . A A . 19 PRO O 1 1 5 4193 1 1 20 PRO C C 13.677 1.368 -2.273 1.00 . A A . 20 PRO C 1 1 5 4194 1 1 20 PRO CA C 14.682 1.240 -3.390 1.00 . A A . 20 PRO CA 1 1 5 4195 1 1 20 PRO CB C 14.241 0.203 -4.435 1.00 . A A . 20 PRO CB 1 1 5 4196 1 1 20 PRO CD C 16.135 -0.699 -3.296 1.00 . A A . 20 PRO CD 1 1 5 4197 1 1 20 PRO CG C 14.798 -1.120 -3.908 1.00 . A A . 20 PRO CG 1 1 5 4198 1 1 20 PRO HA H 14.805 2.218 -3.815 1.00 . A A . 20 PRO HA 1 1 5 4199 1 1 20 PRO HB2 H 13.144 0.171 -4.591 1.00 . A A . 20 PRO HB2 1 1 5 4200 1 1 20 PRO HB3 H 14.744 0.442 -5.401 1.00 . A A . 20 PRO HB3 1 1 5 4201 1 1 20 PRO HD2 H 16.374 -1.334 -2.411 1.00 . A A . 20 PRO HD2 1 1 5 4202 1 1 20 PRO HD3 H 16.943 -0.758 -4.061 1.00 . A A . 20 PRO HD3 1 1 5 4203 1 1 20 PRO HG2 H 14.126 -1.508 -3.112 1.00 . A A . 20 PRO HG2 1 1 5 4204 1 1 20 PRO HG3 H 14.914 -1.882 -4.704 1.00 . A A . 20 PRO HG3 1 1 5 4205 1 1 20 PRO N N 15.947 0.704 -2.911 1.00 . A A . 20 PRO N 1 1 5 4206 1 1 20 PRO O O 13.938 0.995 -1.132 1.00 . A A . 20 PRO O 1 1 5 4207 1 1 21 THR C C 10.222 2.270 -2.471 1.00 . A A . 21 THR C 1 1 5 4208 1 1 21 THR CA C 11.459 2.186 -1.639 1.00 . A A . 21 THR CA 1 1 5 4209 1 1 21 THR CB C 11.697 3.513 -0.929 1.00 . A A . 21 THR CB 1 1 5 4210 1 1 21 THR CG2 C 10.481 4.013 -0.141 1.00 . A A . 21 THR CG2 1 1 5 4211 1 1 21 THR H H 12.405 2.294 -3.512 1.00 . A A . 21 THR H 1 1 5 4212 1 1 21 THR HA H 11.330 1.360 -0.954 1.00 . A A . 21 THR HA 1 1 5 4213 1 1 21 THR HB H 11.973 4.291 -1.681 1.00 . A A . 21 THR HB 1 1 5 4214 1 1 21 THR HG1 H 13.004 2.426 -0.014 1.00 . A A . 21 THR HG1 1 1 5 4215 1 1 21 THR HG21 H 10.760 4.904 0.462 1.00 . A A . 21 THR HG21 1 1 5 4216 1 1 21 THR HG22 H 10.099 3.235 0.549 1.00 . A A . 21 THR HG22 1 1 5 4217 1 1 21 THR HG23 H 9.661 4.330 -0.817 1.00 . A A . 21 THR HG23 1 1 5 4218 1 1 21 THR N N 12.506 1.899 -2.599 1.00 . A A . 21 THR N 1 1 5 4219 1 1 21 THR O O 10.254 2.806 -3.578 1.00 . A A . 21 THR O 1 1 5 4220 1 1 21 THR OG1 O 12.765 3.375 0.002 1.00 . A A . 21 THR OG1 1 1 5 4221 1 1 22 CYS C C 6.657 1.669 -2.279 1.00 . A A . 22 CYS C 1 1 5 4222 1 1 22 CYS CA C 7.996 1.496 -2.944 1.00 . A A . 22 CYS CA 1 1 5 4223 1 1 22 CYS CB C 7.990 0.080 -3.586 1.00 . A A . 22 CYS CB 1 1 5 4224 1 1 22 CYS H H 9.067 1.238 -1.123 1.00 . A A . 22 CYS H 1 1 5 4225 1 1 22 CYS HA H 8.022 2.248 -3.715 1.00 . A A . 22 CYS HA 1 1 5 4226 1 1 22 CYS HB2 H 7.742 -0.660 -2.802 1.00 . A A . 22 CYS HB2 1 1 5 4227 1 1 22 CYS HB3 H 7.164 0.028 -4.325 1.00 . A A . 22 CYS HB3 1 1 5 4228 1 1 22 CYS N N 9.093 1.700 -2.014 1.00 . A A . 22 CYS N 1 1 5 4229 1 1 22 CYS O O 6.271 0.947 -1.360 1.00 . A A . 22 CYS O 1 1 5 4230 1 1 22 CYS SG S 9.555 -0.455 -4.365 1.00 . A A . 22 CYS SG 1 1 5 4231 1 1 23 ARG C C 3.609 1.935 -2.997 1.00 . A A . 23 ARG C 1 1 5 4232 1 1 23 ARG CA C 4.550 2.982 -2.452 1.00 . A A . 23 ARG CA 1 1 5 4233 1 1 23 ARG CB C 4.121 4.340 -3.050 1.00 . A A . 23 ARG CB 1 1 5 4234 1 1 23 ARG CD C 4.509 6.880 -3.095 1.00 . A A . 23 ARG CD 1 1 5 4235 1 1 23 ARG CG C 4.766 5.553 -2.359 1.00 . A A . 23 ARG CG 1 1 5 4236 1 1 23 ARG CZ C 2.094 7.501 -2.563 1.00 . A A . 23 ARG CZ 1 1 5 4237 1 1 23 ARG H H 6.291 3.213 -3.521 1.00 . A A . 23 ARG H 1 1 5 4238 1 1 23 ARG HA H 4.411 3.011 -1.385 1.00 . A A . 23 ARG HA 1 1 5 4239 1 1 23 ARG HB2 H 4.373 4.352 -4.134 1.00 . A A . 23 ARG HB2 1 1 5 4240 1 1 23 ARG HB3 H 3.016 4.458 -2.947 1.00 . A A . 23 ARG HB3 1 1 5 4241 1 1 23 ARG HD2 H 4.868 7.757 -2.524 1.00 . A A . 23 ARG HD2 1 1 5 4242 1 1 23 ARG HD3 H 5.031 6.860 -4.076 1.00 . A A . 23 ARG HD3 1 1 5 4243 1 1 23 ARG HE H 2.779 6.840 -4.356 1.00 . A A . 23 ARG HE 1 1 5 4244 1 1 23 ARG HG2 H 4.378 5.603 -1.319 1.00 . A A . 23 ARG HG2 1 1 5 4245 1 1 23 ARG HG3 H 5.868 5.412 -2.287 1.00 . A A . 23 ARG HG3 1 1 5 4246 1 1 23 ARG HH11 H 3.302 7.829 -0.932 1.00 . A A . 23 ARG HH11 1 1 5 4247 1 1 23 ARG HH12 H 1.649 8.217 -0.684 1.00 . A A . 23 ARG HH12 1 1 5 4248 1 1 23 ARG HH21 H 0.675 7.315 -4.011 1.00 . A A . 23 ARG HH21 1 1 5 4249 1 1 23 ARG HH22 H 0.068 7.932 -2.510 1.00 . A A . 23 ARG HH22 1 1 5 4250 1 1 23 ARG N N 5.937 2.702 -2.741 1.00 . A A . 23 ARG N 1 1 5 4251 1 1 23 ARG NE N 3.057 7.041 -3.418 1.00 . A A . 23 ARG NE 1 1 5 4252 1 1 23 ARG NH1 N 2.370 7.876 -1.284 1.00 . A A . 23 ARG NH1 1 1 5 4253 1 1 23 ARG NH2 N 0.822 7.572 -3.055 1.00 . A A . 23 ARG NH2 1 1 5 4254 1 1 23 ARG O O 3.739 1.516 -4.142 1.00 . A A . 23 ARG O 1 1 5 4255 1 1 24 CYS C C 0.428 1.758 -3.309 1.00 . A A . 24 CYS C 1 1 5 4256 1 1 24 CYS CA C 1.474 0.786 -2.802 1.00 . A A . 24 CYS CA 1 1 5 4257 1 1 24 CYS CB C 0.833 -0.204 -1.803 1.00 . A A . 24 CYS CB 1 1 5 4258 1 1 24 CYS H H 2.475 1.905 -1.310 1.00 . A A . 24 CYS H 1 1 5 4259 1 1 24 CYS HA H 1.832 0.223 -3.654 1.00 . A A . 24 CYS HA 1 1 5 4260 1 1 24 CYS HB2 H 1.641 -0.698 -1.219 1.00 . A A . 24 CYS HB2 1 1 5 4261 1 1 24 CYS HB3 H 0.184 0.333 -1.076 1.00 . A A . 24 CYS HB3 1 1 5 4262 1 1 24 CYS N N 2.573 1.550 -2.234 1.00 . A A . 24 CYS N 1 1 5 4263 1 1 24 CYS O O -0.226 2.443 -2.529 1.00 . A A . 24 CYS O 1 1 5 4264 1 1 24 CYS SG S -0.103 -1.480 -2.695 1.00 . A A . 24 CYS SG 1 1 5 4265 1 1 25 VAL C C -2.077 2.549 -4.970 1.00 . A A . 25 VAL C 1 1 5 4266 1 1 25 VAL CA C -0.625 2.831 -5.265 1.00 . A A . 25 VAL CA 1 1 5 4267 1 1 25 VAL CB C -0.361 3.129 -6.737 1.00 . A A . 25 VAL CB 1 1 5 4268 1 1 25 VAL CG1 C 0.949 3.938 -6.816 1.00 . A A . 25 VAL CG1 1 1 5 4269 1 1 25 VAL CG2 C -0.281 1.858 -7.599 1.00 . A A . 25 VAL CG2 1 1 5 4270 1 1 25 VAL H H 0.723 1.268 -5.278 1.00 . A A . 25 VAL H 1 1 5 4271 1 1 25 VAL HA H -0.468 3.770 -4.762 1.00 . A A . 25 VAL HA 1 1 5 4272 1 1 25 VAL HB H -1.178 3.772 -7.141 1.00 . A A . 25 VAL HB 1 1 5 4273 1 1 25 VAL HG11 H 0.861 4.896 -6.259 1.00 . A A . 25 VAL HG11 1 1 5 4274 1 1 25 VAL HG12 H 1.189 4.176 -7.876 1.00 . A A . 25 VAL HG12 1 1 5 4275 1 1 25 VAL HG13 H 1.794 3.360 -6.390 1.00 . A A . 25 VAL HG13 1 1 5 4276 1 1 25 VAL HG21 H 0.587 1.232 -7.317 1.00 . A A . 25 VAL HG21 1 1 5 4277 1 1 25 VAL HG22 H -0.138 2.144 -8.663 1.00 . A A . 25 VAL HG22 1 1 5 4278 1 1 25 VAL HG23 H -1.208 1.254 -7.543 1.00 . A A . 25 VAL HG23 1 1 5 4279 1 1 25 VAL N N 0.311 1.913 -4.642 1.00 . A A . 25 VAL N 1 1 5 4280 1 1 25 VAL O O -2.883 3.459 -4.791 1.00 . A A . 25 VAL O 1 1 5 4281 1 1 26 ASP C C -4.398 1.216 -3.386 1.00 . A A . 26 ASP C 1 1 5 4282 1 1 26 ASP CA C -3.853 0.857 -4.762 1.00 . A A . 26 ASP CA 1 1 5 4283 1 1 26 ASP CB C -4.066 -0.650 -5.071 1.00 . A A . 26 ASP CB 1 1 5 4284 1 1 26 ASP CG C -5.529 -0.993 -5.328 1.00 . A A . 26 ASP CG 1 1 5 4285 1 1 26 ASP H H -1.761 0.560 -4.976 1.00 . A A . 26 ASP H 1 1 5 4286 1 1 26 ASP HA H -4.420 1.427 -5.485 1.00 . A A . 26 ASP HA 1 1 5 4287 1 1 26 ASP HB2 H -3.521 -0.880 -6.014 1.00 . A A . 26 ASP HB2 1 1 5 4288 1 1 26 ASP HB3 H -3.654 -1.276 -4.255 1.00 . A A . 26 ASP HB3 1 1 5 4289 1 1 26 ASP HD2 H -5.707 -1.114 -3.383 1.00 . A A . 26 ASP HD2 1 1 5 4290 1 1 26 ASP N N -2.462 1.261 -4.906 1.00 . A A . 26 ASP N 1 1 5 4291 1 1 26 ASP O O -3.991 0.650 -2.378 1.00 . A A . 26 ASP O 1 1 5 4292 1 1 26 ASP OD1 O -6.046 -1.037 -6.428 1.00 . A A . 26 ASP OD1 1 1 5 4293 1 1 26 ASP OD2 O -6.231 -1.246 -4.176 1.00 . A A . 26 ASP OD2 1 1 5 4294 1 1 27 VAL C C -6.989 1.793 -1.550 1.00 . A A . 27 VAL C 1 1 5 4295 1 1 27 VAL CA C -5.882 2.665 -2.084 1.00 . A A . 27 VAL CA 1 1 5 4296 1 1 27 VAL CB C -6.319 4.124 -2.145 1.00 . A A . 27 VAL CB 1 1 5 4297 1 1 27 VAL CG1 C -5.268 4.945 -2.908 1.00 . A A . 27 VAL CG1 1 1 5 4298 1 1 27 VAL CG2 C -7.704 4.302 -2.781 1.00 . A A . 27 VAL CG2 1 1 5 4299 1 1 27 VAL H H -5.669 2.614 -4.162 1.00 . A A . 27 VAL H 1 1 5 4300 1 1 27 VAL HA H -5.097 2.633 -1.343 1.00 . A A . 27 VAL HA 1 1 5 4301 1 1 27 VAL HB H -6.367 4.511 -1.106 1.00 . A A . 27 VAL HB 1 1 5 4302 1 1 27 VAL HG11 H -5.454 6.030 -2.753 1.00 . A A . 27 VAL HG11 1 1 5 4303 1 1 27 VAL HG12 H -5.315 4.737 -3.998 1.00 . A A . 27 VAL HG12 1 1 5 4304 1 1 27 VAL HG13 H -4.252 4.700 -2.540 1.00 . A A . 27 VAL HG13 1 1 5 4305 1 1 27 VAL HG21 H -7.925 5.383 -2.920 1.00 . A A . 27 VAL HG21 1 1 5 4306 1 1 27 VAL HG22 H -8.496 3.882 -2.126 1.00 . A A . 27 VAL HG22 1 1 5 4307 1 1 27 VAL HG23 H -7.753 3.804 -3.771 1.00 . A A . 27 VAL HG23 1 1 5 4308 1 1 27 VAL N N -5.346 2.168 -3.334 1.00 . A A . 27 VAL N 1 1 5 4309 1 1 27 VAL O O -7.667 1.066 -2.280 1.00 . A A . 27 VAL O 1 1 5 4310 1 1 28 ARG C C -9.087 1.867 1.294 1.00 . A A . 28 ARG C 1 1 5 4311 1 1 28 ARG CA C -8.196 1.025 0.414 1.00 . A A . 28 ARG CA 1 1 5 4312 1 1 28 ARG CB C -7.553 -0.093 1.272 1.00 . A A . 28 ARG CB 1 1 5 4313 1 1 28 ARG CD C -5.483 -1.052 0.152 1.00 . A A . 28 ARG CD 1 1 5 4314 1 1 28 ARG CG C -6.960 -1.253 0.456 1.00 . A A . 28 ARG CG 1 1 5 4315 1 1 28 ARG CZ C -3.739 -2.338 -1.079 1.00 . A A . 28 ARG CZ 1 1 5 4316 1 1 28 ARG H H -6.604 2.391 0.365 1.00 . A A . 28 ARG H 1 1 5 4317 1 1 28 ARG HA H -8.856 0.580 -0.313 1.00 . A A . 28 ARG HA 1 1 5 4318 1 1 28 ARG HB2 H -6.755 0.356 1.904 1.00 . A A . 28 ARG HB2 1 1 5 4319 1 1 28 ARG HB3 H -8.310 -0.551 1.938 1.00 . A A . 28 ARG HB3 1 1 5 4320 1 1 28 ARG HD2 H -5.323 -0.063 -0.317 1.00 . A A . 28 ARG HD2 1 1 5 4321 1 1 28 ARG HD3 H -4.895 -1.114 1.088 1.00 . A A . 28 ARG HD3 1 1 5 4322 1 1 28 ARG HE H -5.751 -2.664 -1.273 1.00 . A A . 28 ARG HE 1 1 5 4323 1 1 28 ARG HG2 H -7.055 -2.194 1.044 1.00 . A A . 28 ARG HG2 1 1 5 4324 1 1 28 ARG HG3 H -7.537 -1.369 -0.487 1.00 . A A . 28 ARG HG3 1 1 5 4325 1 1 28 ARG HH11 H -3.033 -0.991 0.285 1.00 . A A . 28 ARG HH11 1 1 5 4326 1 1 28 ARG HH12 H -1.803 -1.800 -0.639 1.00 . A A . 28 ARG HH12 1 1 5 4327 1 1 28 ARG HH21 H -4.119 -3.722 -2.545 1.00 . A A . 28 ARG HH21 1 1 5 4328 1 1 28 ARG HH22 H -2.439 -3.377 -2.264 1.00 . A A . 28 ARG HH22 1 1 5 4329 1 1 28 ARG N N -7.183 1.829 -0.227 1.00 . A A . 28 ARG N 1 1 5 4330 1 1 28 ARG NE N -5.055 -2.123 -0.797 1.00 . A A . 28 ARG NE 1 1 5 4331 1 1 28 ARG NH1 N -2.766 -1.646 -0.423 1.00 . A A . 28 ARG NH1 1 1 5 4332 1 1 28 ARG NH2 N -3.399 -3.246 -2.033 1.00 . A A . 28 ARG NH2 1 1 5 4333 1 1 28 ARG O O -8.903 3.067 1.470 1.00 . A A . 28 ARG O 1 1 5 4334 1 1 29 GLU C C -10.163 1.998 4.243 1.00 . A A . 29 GLU C 1 1 5 4335 1 1 29 GLU CA C -10.909 1.610 2.981 1.00 . A A . 29 GLU CA 1 1 5 4336 1 1 29 GLU CB C -11.915 0.496 3.279 1.00 . A A . 29 GLU CB 1 1 5 4337 1 1 29 GLU CD C -14.036 -0.620 2.488 1.00 . A A . 29 GLU CD 1 1 5 4338 1 1 29 GLU CG C -12.989 0.423 2.173 1.00 . A A . 29 GLU CG 1 1 5 4339 1 1 29 GLU H H -10.225 0.242 1.643 1.00 . A A . 29 GLU H 1 1 5 4340 1 1 29 GLU HA H -11.448 2.488 2.686 1.00 . A A . 29 GLU HA 1 1 5 4341 1 1 29 GLU HB2 H -11.354 -0.460 3.342 1.00 . A A . 29 GLU HB2 1 1 5 4342 1 1 29 GLU HB3 H -12.408 0.668 4.264 1.00 . A A . 29 GLU HB3 1 1 5 4343 1 1 29 GLU HE2 H -14.420 -2.458 2.195 1.00 . A A . 29 GLU HE2 1 1 5 4344 1 1 29 GLU HG2 H -13.519 1.398 2.095 1.00 . A A . 29 GLU HG2 1 1 5 4345 1 1 29 GLU HG3 H -12.534 0.197 1.187 1.00 . A A . 29 GLU HG3 1 1 5 4346 1 1 29 GLU N N -10.112 1.207 1.852 1.00 . A A . 29 GLU N 1 1 5 4347 1 1 29 GLU O O -10.607 2.854 5.001 1.00 . A A . 29 GLU O 1 1 5 4348 1 1 29 GLU OE1 O -15.129 -0.397 2.967 1.00 . A A . 29 GLU OE1 1 1 5 4349 1 1 29 GLU OE2 O -13.640 -1.883 2.148 1.00 . A A . 29 GLU OE2 1 1 5 4350 1 1 30 SER C C -6.873 1.110 5.766 1.00 . A A . 30 SER C 1 1 5 4351 1 1 30 SER CA C -8.346 1.476 5.797 1.00 . A A . 30 SER CA 1 1 5 4352 1 1 30 SER CB C -9.034 0.612 6.914 1.00 . A A . 30 SER CB 1 1 5 4353 1 1 30 SER H H -8.765 0.580 3.927 1.00 . A A . 30 SER H 1 1 5 4354 1 1 30 SER HA H -8.371 2.527 6.055 1.00 . A A . 30 SER HA 1 1 5 4355 1 1 30 SER HB2 H -8.581 0.793 7.912 1.00 . A A . 30 SER HB2 1 1 5 4356 1 1 30 SER HB3 H -10.104 0.908 6.985 1.00 . A A . 30 SER HB3 1 1 5 4357 1 1 30 SER HG H -9.479 -1.255 7.316 1.00 . A A . 30 SER HG 1 1 5 4358 1 1 30 SER N N -9.036 1.326 4.526 1.00 . A A . 30 SER N 1 1 5 4359 1 1 30 SER O O -6.303 0.694 4.755 1.00 . A A . 30 SER O 1 1 5 4360 1 1 30 SER OG O -8.975 -0.789 6.622 1.00 . A A . 30 SER OG 1 1 5 4361 1 1 31 CYS C C -4.641 -0.395 7.857 1.00 . A A . 31 CYS C 1 1 5 4362 1 1 31 CYS CA C -4.827 0.973 7.188 1.00 . A A . 31 CYS CA 1 1 5 4363 1 1 31 CYS CB C -4.279 2.076 8.131 1.00 . A A . 31 CYS CB 1 1 5 4364 1 1 31 CYS H H -6.710 1.730 7.682 1.00 . A A . 31 CYS H 1 1 5 4365 1 1 31 CYS HA H -4.280 0.985 6.256 1.00 . A A . 31 CYS HA 1 1 5 4366 1 1 31 CYS HB2 H -4.657 3.054 7.739 1.00 . A A . 31 CYS HB2 1 1 5 4367 1 1 31 CYS HB3 H -4.708 1.932 9.154 1.00 . A A . 31 CYS HB3 1 1 5 4368 1 1 31 CYS N N -6.217 1.287 6.925 1.00 . A A . 31 CYS N 1 1 5 4369 1 1 31 CYS O O -5.523 -0.884 8.561 1.00 . A A . 31 CYS O 1 1 5 4370 1 1 31 CYS SG S -2.465 2.185 8.242 1.00 . A A . 31 CYS SG 1 1 5 4371 1 1 32 HIS C C -2.162 -1.869 9.561 1.00 . A A . 32 HIS C 1 1 5 4372 1 1 32 HIS CA C -3.104 -2.256 8.420 1.00 . A A . 32 HIS CA 1 1 5 4373 1 1 32 HIS CB C -2.475 -3.277 7.445 1.00 . A A . 32 HIS CB 1 1 5 4374 1 1 32 HIS CD2 C -4.549 -4.164 6.139 1.00 . A A . 32 HIS CD2 1 1 5 4375 1 1 32 HIS CE1 C -3.968 -3.388 4.183 1.00 . A A . 32 HIS CE1 1 1 5 4376 1 1 32 HIS CG C -3.356 -3.537 6.265 1.00 . A A . 32 HIS CG 1 1 5 4377 1 1 32 HIS H H -2.736 -0.671 7.122 1.00 . A A . 32 HIS H 1 1 5 4378 1 1 32 HIS HA H -3.981 -2.696 8.874 1.00 . A A . 32 HIS HA 1 1 5 4379 1 1 32 HIS HB2 H -1.510 -2.897 7.045 1.00 . A A . 32 HIS HB2 1 1 5 4380 1 1 32 HIS HB3 H -2.307 -4.261 7.910 1.00 . A A . 32 HIS HB3 1 1 5 4381 1 1 32 HIS HD1 H -2.191 -2.543 4.825 1.00 . A A . 32 HIS HD1 1 1 5 4382 1 1 32 HIS HD2 H -5.116 -4.716 6.879 1.00 . A A . 32 HIS HD2 1 1 5 4383 1 1 32 HIS HE1 H -3.933 -3.142 3.148 1.00 . A A . 32 HIS HE1 1 1 5 4384 1 1 32 HIS HE2 H -5.735 -4.456 4.408 1.00 . A A . 32 HIS HE2 1 1 5 4385 1 1 32 HIS N N -3.471 -1.051 7.689 1.00 . A A . 32 HIS N 1 1 5 4386 1 1 32 HIS ND1 N -3.014 -3.068 5.034 1.00 . A A . 32 HIS ND1 1 1 5 4387 1 1 32 HIS NE2 N -4.918 -4.054 4.824 1.00 . A A . 32 HIS NE2 1 1 5 4388 1 1 32 HIS O O -2.109 -0.705 9.947 1.00 . A A . 32 HIS O 1 1 5 4389 1 1 33 SER C C 0.645 -1.626 11.030 1.00 . A A . 33 SER C 1 1 5 4390 1 1 33 SER CA C -0.579 -2.471 11.344 1.00 . A A . 33 SER CA 1 1 5 4391 1 1 33 SER CB C -0.058 -3.751 12.066 1.00 . A A . 33 SER CB 1 1 5 4392 1 1 33 SER H H -1.437 -3.776 9.966 1.00 . A A . 33 SER H 1 1 5 4393 1 1 33 SER HA H -1.196 -1.894 12.028 1.00 . A A . 33 SER HA 1 1 5 4394 1 1 33 SER HB2 H 0.445 -4.423 11.334 1.00 . A A . 33 SER HB2 1 1 5 4395 1 1 33 SER HB3 H 0.678 -3.488 12.861 1.00 . A A . 33 SER HB3 1 1 5 4396 1 1 33 SER HG H -0.749 -5.279 13.051 1.00 . A A . 33 SER HG 1 1 5 4397 1 1 33 SER N N -1.400 -2.798 10.177 1.00 . A A . 33 SER N 1 1 5 4398 1 1 33 SER O O 0.752 -0.472 11.442 1.00 . A A . 33 SER O 1 1 5 4399 1 1 33 SER OG O -1.141 -4.460 12.669 1.00 . A A . 33 SER OG 1 1 5 4400 1 1 34 ALA C C 3.043 -0.616 9.007 1.00 . A A . 34 ALA C 1 1 5 4401 1 1 34 ALA CA C 2.945 -1.618 10.139 1.00 . A A . 34 ALA CA 1 1 5 4402 1 1 34 ALA CB C 3.967 -2.751 9.941 1.00 . A A . 34 ALA CB 1 1 5 4403 1 1 34 ALA H H 1.508 -3.076 9.889 1.00 . A A . 34 ALA H 1 1 5 4404 1 1 34 ALA HA H 3.188 -1.086 11.045 1.00 . A A . 34 ALA HA 1 1 5 4405 1 1 34 ALA HB1 H 3.909 -3.450 10.801 1.00 . A A . 34 ALA HB1 1 1 5 4406 1 1 34 ALA HB2 H 5.000 -2.342 9.901 1.00 . A A . 34 ALA HB2 1 1 5 4407 1 1 34 ALA HB3 H 3.770 -3.304 8.996 1.00 . A A . 34 ALA HB3 1 1 5 4408 1 1 34 ALA N N 1.629 -2.184 10.294 1.00 . A A . 34 ALA N 1 1 5 4409 1 1 34 ALA O O 3.944 -0.623 8.172 1.00 . A A . 34 ALA O 1 1 5 4410 1 1 35 CYS C C 1.982 2.687 9.370 1.00 . A A . 35 CYS C 1 1 5 4411 1 1 35 CYS CA C 2.267 1.608 8.350 1.00 . A A . 35 CYS CA 1 1 5 4412 1 1 35 CYS CB C 1.299 1.739 7.162 1.00 . A A . 35 CYS CB 1 1 5 4413 1 1 35 CYS H H 1.345 0.230 9.636 1.00 . A A . 35 CYS H 1 1 5 4414 1 1 35 CYS HA H 3.283 1.718 8.004 1.00 . A A . 35 CYS HA 1 1 5 4415 1 1 35 CYS HB2 H 1.442 0.830 6.529 1.00 . A A . 35 CYS HB2 1 1 5 4416 1 1 35 CYS HB3 H 0.254 1.740 7.559 1.00 . A A . 35 CYS HB3 1 1 5 4417 1 1 35 CYS N N 2.121 0.344 9.020 1.00 . A A . 35 CYS N 1 1 5 4418 1 1 35 CYS O O 0.865 2.809 9.873 1.00 . A A . 35 CYS O 1 1 5 4419 1 1 35 CYS SG S 1.665 3.234 6.184 1.00 . A A . 35 CYS SG 1 1 5 4420 1 1 36 ASP C C 1.988 5.720 10.101 1.00 . A A . 36 ASP C 1 1 5 4421 1 1 36 ASP CA C 2.768 4.566 10.703 1.00 . A A . 36 ASP CA 1 1 5 4422 1 1 36 ASP CB C 4.103 5.018 11.368 1.00 . A A . 36 ASP CB 1 1 5 4423 1 1 36 ASP CG C 5.107 5.689 10.439 1.00 . A A . 36 ASP CG 1 1 5 4424 1 1 36 ASP H H 3.915 3.407 9.378 1.00 . A A . 36 ASP H 1 1 5 4425 1 1 36 ASP HA H 2.143 4.169 11.490 1.00 . A A . 36 ASP HA 1 1 5 4426 1 1 36 ASP HB2 H 3.888 5.740 12.185 1.00 . A A . 36 ASP HB2 1 1 5 4427 1 1 36 ASP HB3 H 4.586 4.126 11.818 1.00 . A A . 36 ASP HB3 1 1 5 4428 1 1 36 ASP HD2 H 6.423 5.279 9.134 1.00 . A A . 36 ASP HD2 1 1 5 4429 1 1 36 ASP N N 2.983 3.513 9.730 1.00 . A A . 36 ASP N 1 1 5 4430 1 1 36 ASP O O 1.021 6.223 10.664 1.00 . A A . 36 ASP O 1 1 5 4431 1 1 36 ASP OD1 O 5.373 6.873 10.397 1.00 . A A . 36 ASP OD1 1 1 5 4432 1 1 36 ASP OD2 O 5.698 4.818 9.562 1.00 . A A . 36 ASP OD2 1 1 5 4433 1 1 37 LYS C C 0.824 6.794 7.132 1.00 . A A . 37 LYS C 1 1 5 4434 1 1 37 LYS CA C 1.798 7.251 8.198 1.00 . A A . 37 LYS CA 1 1 5 4435 1 1 37 LYS CB C 2.892 8.163 7.636 1.00 . A A . 37 LYS CB 1 1 5 4436 1 1 37 LYS CD C 3.553 10.466 6.849 1.00 . A A . 37 LYS CD 1 1 5 4437 1 1 37 LYS CE C 3.194 11.943 6.722 1.00 . A A . 37 LYS CE 1 1 5 4438 1 1 37 LYS CG C 2.428 9.601 7.425 1.00 . A A . 37 LYS CG 1 1 5 4439 1 1 37 LYS H H 3.157 5.694 8.455 1.00 . A A . 37 LYS H 1 1 5 4440 1 1 37 LYS HA H 1.237 7.844 8.905 1.00 . A A . 37 LYS HA 1 1 5 4441 1 1 37 LYS HB2 H 3.738 8.180 8.358 1.00 . A A . 37 LYS HB2 1 1 5 4442 1 1 37 LYS HB3 H 3.289 7.769 6.684 1.00 . A A . 37 LYS HB3 1 1 5 4443 1 1 37 LYS HD2 H 4.470 10.370 7.475 1.00 . A A . 37 LYS HD2 1 1 5 4444 1 1 37 LYS HD3 H 3.808 10.084 5.835 1.00 . A A . 37 LYS HD3 1 1 5 4445 1 1 37 LYS HE2 H 4.001 12.475 6.177 1.00 . A A . 37 LYS HE2 1 1 5 4446 1 1 37 LYS HE3 H 2.235 12.083 6.181 1.00 . A A . 37 LYS HE3 1 1 5 4447 1 1 37 LYS HG2 H 1.568 9.595 6.724 1.00 . A A . 37 LYS HG2 1 1 5 4448 1 1 37 LYS HG3 H 2.080 10.002 8.402 1.00 . A A . 37 LYS HG3 1 1 5 4449 1 1 37 LYS HZ1 H 2.322 12.102 8.601 1.00 . A A . 37 LYS HZ1 1 1 5 4450 1 1 37 LYS HZ2 H 2.859 13.576 7.943 1.00 . A A . 37 LYS HZ2 1 1 5 4451 1 1 37 LYS HZ3 H 3.982 12.464 8.562 1.00 . A A . 37 LYS HZ3 1 1 5 4452 1 1 37 LYS N N 2.392 6.142 8.893 1.00 . A A . 37 LYS N 1 1 5 4453 1 1 37 LYS NZ N 3.077 12.564 8.058 1.00 . A A . 37 LYS NZ 1 1 5 4454 1 1 37 LYS O O 1.071 6.834 5.924 1.00 . A A . 37 LYS O 1 1 5 4455 1 1 38 CYS C C -2.268 7.478 6.718 1.00 . A A . 38 CYS C 1 1 5 4456 1 1 38 CYS CA C -1.520 6.170 6.783 1.00 . A A . 38 CYS CA 1 1 5 4457 1 1 38 CYS CB C -2.401 5.072 7.403 1.00 . A A . 38 CYS CB 1 1 5 4458 1 1 38 CYS H H -0.488 6.216 8.575 1.00 . A A . 38 CYS H 1 1 5 4459 1 1 38 CYS HA H -1.242 5.911 5.773 1.00 . A A . 38 CYS HA 1 1 5 4460 1 1 38 CYS HB2 H -2.221 5.099 8.506 1.00 . A A . 38 CYS HB2 1 1 5 4461 1 1 38 CYS HB3 H -3.484 5.261 7.235 1.00 . A A . 38 CYS HB3 1 1 5 4462 1 1 38 CYS N N -0.350 6.353 7.596 1.00 . A A . 38 CYS N 1 1 5 4463 1 1 38 CYS O O -2.717 8.017 7.727 1.00 . A A . 38 CYS O 1 1 5 4464 1 1 38 CYS SG S -1.983 3.435 6.726 1.00 . A A . 38 CYS SG 1 1 5 4465 1 1 39 VAL C C -4.254 8.913 4.448 1.00 . A A . 39 VAL C 1 1 5 4466 1 1 39 VAL CA C -3.063 9.289 5.285 1.00 . A A . 39 VAL CA 1 1 5 4467 1 1 39 VAL CB C -2.160 10.209 4.505 1.00 . A A . 39 VAL CB 1 1 5 4468 1 1 39 VAL CG1 C -2.824 11.558 4.240 1.00 . A A . 39 VAL CG1 1 1 5 4469 1 1 39 VAL CG2 C -0.873 10.445 5.307 1.00 . A A . 39 VAL CG2 1 1 5 4470 1 1 39 VAL H H -2.018 7.654 4.674 1.00 . A A . 39 VAL H 1 1 5 4471 1 1 39 VAL HA H -3.381 9.766 6.204 1.00 . A A . 39 VAL HA 1 1 5 4472 1 1 39 VAL HB H -1.908 9.729 3.540 1.00 . A A . 39 VAL HB 1 1 5 4473 1 1 39 VAL HG11 H -2.079 12.222 3.750 1.00 . A A . 39 VAL HG11 1 1 5 4474 1 1 39 VAL HG12 H -3.140 12.014 5.203 1.00 . A A . 39 VAL HG12 1 1 5 4475 1 1 39 VAL HG13 H -3.696 11.444 3.566 1.00 . A A . 39 VAL HG13 1 1 5 4476 1 1 39 VAL HG21 H -1.132 10.825 6.319 1.00 . A A . 39 VAL HG21 1 1 5 4477 1 1 39 VAL HG22 H -0.254 11.209 4.786 1.00 . A A . 39 VAL HG22 1 1 5 4478 1 1 39 VAL HG23 H -0.292 9.504 5.398 1.00 . A A . 39 VAL HG23 1 1 5 4479 1 1 39 VAL N N -2.380 8.051 5.519 1.00 . A A . 39 VAL N 1 1 5 4480 1 1 39 VAL O O -4.151 8.064 3.558 1.00 . A A . 39 VAL O 1 1 5 4481 1 1 40 CYS C C -7.583 10.148 3.893 1.00 . A A . 40 CYS C 1 1 5 4482 1 1 40 CYS CA C -6.622 9.029 4.079 1.00 . A A . 40 CYS CA 1 1 5 4483 1 1 40 CYS CB C -7.263 7.914 4.910 1.00 . A A . 40 CYS CB 1 1 5 4484 1 1 40 CYS H H -5.559 10.135 5.472 1.00 . A A . 40 CYS H 1 1 5 4485 1 1 40 CYS HA H -6.396 8.657 3.095 1.00 . A A . 40 CYS HA 1 1 5 4486 1 1 40 CYS HB2 H -6.440 7.200 5.115 1.00 . A A . 40 CYS HB2 1 1 5 4487 1 1 40 CYS HB3 H -7.602 8.329 5.885 1.00 . A A . 40 CYS HB3 1 1 5 4488 1 1 40 CYS N N -5.429 9.485 4.716 1.00 . A A . 40 CYS N 1 1 5 4489 1 1 40 CYS O O -8.159 10.691 4.832 1.00 . A A . 40 CYS O 1 1 5 4490 1 1 40 CYS SG S -8.579 7.044 4.011 1.00 . A A . 40 CYS SG 1 1 5 4491 1 1 41 ALA C C -10.203 10.953 2.516 1.00 . A A . 41 ALA C 1 1 5 4492 1 1 41 ALA CA C -8.807 11.485 2.270 1.00 . A A . 41 ALA CA 1 1 5 4493 1 1 41 ALA CB C -8.688 11.966 0.826 1.00 . A A . 41 ALA CB 1 1 5 4494 1 1 41 ALA H H -7.327 10.022 1.903 1.00 . A A . 41 ALA H 1 1 5 4495 1 1 41 ALA HA H -8.682 12.351 2.909 1.00 . A A . 41 ALA HA 1 1 5 4496 1 1 41 ALA HB1 H -8.838 11.133 0.112 1.00 . A A . 41 ALA HB1 1 1 5 4497 1 1 41 ALA HB2 H -7.682 12.404 0.655 1.00 . A A . 41 ALA HB2 1 1 5 4498 1 1 41 ALA HB3 H -9.446 12.750 0.612 1.00 . A A . 41 ALA HB3 1 1 5 4499 1 1 41 ALA N N -7.788 10.527 2.628 1.00 . A A . 41 ALA N 1 1 5 4500 1 1 41 ALA O O -10.453 9.746 2.436 1.00 . A A . 41 ALA O 1 1 5 4501 1 1 42 TYR C C -13.495 11.244 2.367 1.00 . A A . 42 TYR C 1 1 5 4502 1 1 42 TYR CA C -12.438 11.640 3.367 1.00 . A A . 42 TYR CA 1 1 5 4503 1 1 42 TYR CB C -12.863 12.933 4.109 1.00 . A A . 42 TYR CB 1 1 5 4504 1 1 42 TYR CD1 C -13.324 14.385 2.025 1.00 . A A . 42 TYR CD1 1 1 5 4505 1 1 42 TYR CD2 C -12.068 15.332 3.858 1.00 . A A . 42 TYR CD2 1 1 5 4506 1 1 42 TYR CE1 C -13.218 15.591 1.322 1.00 . A A . 42 TYR CE1 1 1 5 4507 1 1 42 TYR CE2 C -11.985 16.545 3.166 1.00 . A A . 42 TYR CE2 1 1 5 4508 1 1 42 TYR CG C -12.746 14.229 3.305 1.00 . A A . 42 TYR CG 1 1 5 4509 1 1 42 TYR CZ C -12.561 16.676 1.901 1.00 . A A . 42 TYR CZ 1 1 5 4510 1 1 42 TYR H H -10.885 12.845 2.804 1.00 . A A . 42 TYR H 1 1 5 4511 1 1 42 TYR HA H -12.352 10.824 4.068 1.00 . A A . 42 TYR HA 1 1 5 4512 1 1 42 TYR HB2 H -13.902 12.858 4.496 1.00 . A A . 42 TYR HB2 1 1 5 4513 1 1 42 TYR HB3 H -12.165 12.988 4.972 1.00 . A A . 42 TYR HB3 1 1 5 4514 1 1 42 TYR HD1 H -13.860 13.587 1.546 1.00 . A A . 42 TYR HD1 1 1 5 4515 1 1 42 TYR HD2 H -11.608 15.271 4.833 1.00 . A A . 42 TYR HD2 1 1 5 4516 1 1 42 TYR HE1 H -13.645 15.668 0.331 1.00 . A A . 42 TYR HE1 1 1 5 4517 1 1 42 TYR HE2 H -11.476 17.385 3.611 1.00 . A A . 42 TYR HE2 1 1 5 4518 1 1 42 TYR HH H -12.775 17.766 0.302 1.00 . A A . 42 TYR HH 1 1 5 4519 1 1 42 TYR N N -11.128 11.878 2.806 1.00 . A A . 42 TYR N 1 1 5 4520 1 1 42 TYR O O -14.697 11.302 2.621 1.00 . A A . 42 TYR O 1 1 5 4521 1 1 42 TYR OH O -12.440 17.897 1.209 1.00 . A A . 42 TYR OH 1 1 5 4522 1 1 43 SER C C -14.694 9.383 0.115 1.00 . A A . 43 SER C 1 1 5 4523 1 1 43 SER CA C -13.763 10.568 -0.016 1.00 . A A . 43 SER CA 1 1 5 4524 1 1 43 SER CB C -12.803 10.302 -1.203 1.00 . A A . 43 SER CB 1 1 5 4525 1 1 43 SER H H -12.040 10.922 1.082 1.00 . A A . 43 SER H 1 1 5 4526 1 1 43 SER HA H -14.381 11.413 -0.266 1.00 . A A . 43 SER HA 1 1 5 4527 1 1 43 SER HB2 H -12.276 9.333 -1.057 1.00 . A A . 43 SER HB2 1 1 5 4528 1 1 43 SER HB3 H -13.370 10.280 -2.158 1.00 . A A . 43 SER HB3 1 1 5 4529 1 1 43 SER HG H -11.435 11.226 -2.207 1.00 . A A . 43 SER HG 1 1 5 4530 1 1 43 SER N N -13.022 10.898 1.173 1.00 . A A . 43 SER N 1 1 5 4531 1 1 43 SER O O -14.891 8.780 1.166 1.00 . A A . 43 SER O 1 1 5 4532 1 1 43 SER OG O -11.811 11.328 -1.297 1.00 . A A . 43 SER OG 1 1 5 4533 1 1 44 ASN C C -15.987 7.260 -2.465 1.00 . A A . 44 ASN C 1 1 5 4534 1 1 44 ASN CA C -16.180 7.885 -1.091 1.00 . A A . 44 ASN CA 1 1 5 4535 1 1 44 ASN CB C -17.605 8.439 -0.905 1.00 . A A . 44 ASN CB 1 1 5 4536 1 1 44 ASN CG C -18.638 7.328 -0.774 1.00 . A A . 44 ASN CG 1 1 5 4537 1 1 44 ASN H H -15.180 9.506 -1.843 1.00 . A A . 44 ASN H 1 1 5 4538 1 1 44 ASN HA H -15.961 7.176 -0.311 1.00 . A A . 44 ASN HA 1 1 5 4539 1 1 44 ASN HB2 H -17.605 9.016 0.045 1.00 . A A . 44 ASN HB2 1 1 5 4540 1 1 44 ASN HB3 H -17.849 9.150 -1.713 1.00 . A A . 44 ASN HB3 1 1 5 4541 1 1 44 ASN HD21 H -18.781 7.066 -2.810 1.00 . A A . 44 ASN HD21 1 1 5 4542 1 1 44 ASN HD22 H -19.778 6.036 -1.847 1.00 . A A . 44 ASN HD22 1 1 5 4543 1 1 44 ASN N N -15.266 8.976 -1.017 1.00 . A A . 44 ASN N 1 1 5 4544 1 1 44 ASN ND2 N -19.084 6.749 -1.911 1.00 . A A . 44 ASN ND2 1 1 5 4545 1 1 44 ASN O O -16.429 7.828 -3.465 1.00 . A A . 44 ASN O 1 1 5 4546 1 1 44 ASN OD1 O -19.031 6.960 0.337 1.00 . A A . 44 ASN OD1 1 1 5 4547 1 1 45 PRO C C -13.395 6.182 -1.024 1.00 . A A . 45 PRO C 1 1 5 4548 1 1 45 PRO CA C -14.632 5.414 -1.493 1.00 . A A . 45 PRO CA 1 1 5 4549 1 1 45 PRO CB C -14.298 4.063 -2.130 1.00 . A A . 45 PRO CB 1 1 5 4550 1 1 45 PRO CD C -15.102 5.511 -3.878 1.00 . A A . 45 PRO CD 1 1 5 4551 1 1 45 PRO CG C -14.114 4.381 -3.614 1.00 . A A . 45 PRO CG 1 1 5 4552 1 1 45 PRO HA H -15.296 5.314 -0.651 1.00 . A A . 45 PRO HA 1 1 5 4553 1 1 45 PRO HB2 H -13.430 3.562 -1.670 1.00 . A A . 45 PRO HB2 1 1 5 4554 1 1 45 PRO HB3 H -15.161 3.380 -2.001 1.00 . A A . 45 PRO HB3 1 1 5 4555 1 1 45 PRO HD2 H -14.665 6.257 -4.579 1.00 . A A . 45 PRO HD2 1 1 5 4556 1 1 45 PRO HD3 H -16.062 5.128 -4.277 1.00 . A A . 45 PRO HD3 1 1 5 4557 1 1 45 PRO HG2 H -13.085 4.754 -3.777 1.00 . A A . 45 PRO HG2 1 1 5 4558 1 1 45 PRO HG3 H -14.272 3.504 -4.263 1.00 . A A . 45 PRO HG3 1 1 5 4559 1 1 45 PRO N N -15.341 6.108 -2.569 1.00 . A A . 45 PRO N 1 1 5 4560 1 1 45 PRO O O -12.891 6.997 -1.799 1.00 . A A . 45 PRO O 1 1 5 4561 1 1 46 PRO C C -10.526 6.571 0.205 1.00 . A A . 46 PRO C 1 1 5 4562 1 1 46 PRO CA C -11.889 6.908 0.761 1.00 . A A . 46 PRO CA 1 1 5 4563 1 1 46 PRO CB C -11.982 6.645 2.262 1.00 . A A . 46 PRO CB 1 1 5 4564 1 1 46 PRO CD C -13.412 5.072 1.195 1.00 . A A . 46 PRO CD 1 1 5 4565 1 1 46 PRO CG C -12.407 5.185 2.340 1.00 . A A . 46 PRO CG 1 1 5 4566 1 1 46 PRO HA H -12.096 7.937 0.527 1.00 . A A . 46 PRO HA 1 1 5 4567 1 1 46 PRO HB2 H -11.042 6.847 2.806 1.00 . A A . 46 PRO HB2 1 1 5 4568 1 1 46 PRO HB3 H -12.794 7.273 2.693 1.00 . A A . 46 PRO HB3 1 1 5 4569 1 1 46 PRO HD2 H -13.402 4.032 0.770 1.00 . A A . 46 PRO HD2 1 1 5 4570 1 1 46 PRO HD3 H -14.423 5.402 1.561 1.00 . A A . 46 PRO HD3 1 1 5 4571 1 1 46 PRO HG2 H -11.521 4.546 2.125 1.00 . A A . 46 PRO HG2 1 1 5 4572 1 1 46 PRO HG3 H -12.837 4.940 3.330 1.00 . A A . 46 PRO HG3 1 1 5 4573 1 1 46 PRO N N -12.925 6.044 0.211 1.00 . A A . 46 PRO N 1 1 5 4574 1 1 46 PRO O O -10.351 5.513 -0.399 1.00 . A A . 46 PRO O 1 1 5 4575 1 1 47 GLN C C -7.174 6.973 0.647 1.00 . A A . 47 GLN C 1 1 5 4576 1 1 47 GLN CA C -8.269 7.299 -0.334 1.00 . A A . 47 GLN CA 1 1 5 4577 1 1 47 GLN CB C -7.897 8.565 -1.151 1.00 . A A . 47 GLN CB 1 1 5 4578 1 1 47 GLN CD C -9.193 8.200 -3.346 1.00 . A A . 47 GLN CD 1 1 5 4579 1 1 47 GLN CG C -9.010 9.081 -2.107 1.00 . A A . 47 GLN CG 1 1 5 4580 1 1 47 GLN H H -9.652 8.280 0.935 1.00 . A A . 47 GLN H 1 1 5 4581 1 1 47 GLN HA H -8.322 6.455 -0.997 1.00 . A A . 47 GLN HA 1 1 5 4582 1 1 47 GLN HB2 H -7.665 9.398 -0.450 1.00 . A A . 47 GLN HB2 1 1 5 4583 1 1 47 GLN HB3 H -6.974 8.370 -1.742 1.00 . A A . 47 GLN HB3 1 1 5 4584 1 1 47 GLN HE21 H -7.479 8.934 -4.181 1.00 . A A . 47 GLN HE21 1 1 5 4585 1 1 47 GLN HE22 H -8.287 7.686 -5.088 1.00 . A A . 47 GLN HE22 1 1 5 4586 1 1 47 GLN HG2 H -9.983 9.139 -1.576 1.00 . A A . 47 GLN HG2 1 1 5 4587 1 1 47 GLN HG3 H -8.750 10.107 -2.450 1.00 . A A . 47 GLN HG3 1 1 5 4588 1 1 47 GLN N N -9.534 7.469 0.358 1.00 . A A . 47 GLN N 1 1 5 4589 1 1 47 GLN NE2 N -8.206 8.247 -4.267 1.00 . A A . 47 GLN NE2 1 1 5 4590 1 1 47 GLN O O -6.250 7.758 0.864 1.00 . A A . 47 GLN O 1 1 5 4591 1 1 47 GLN OE1 O -10.197 7.500 -3.495 1.00 . A A . 47 GLN OE1 1 1 5 4592 1 1 48 CYS C C -5.065 4.884 1.764 1.00 . A A . 48 CYS C 1 1 5 4593 1 1 48 CYS CA C -6.337 5.435 2.351 1.00 . A A . 48 CYS CA 1 1 5 4594 1 1 48 CYS CB C -6.868 4.486 3.455 1.00 . A A . 48 CYS CB 1 1 5 4595 1 1 48 CYS H H -7.953 5.123 1.028 1.00 . A A . 48 CYS H 1 1 5 4596 1 1 48 CYS HA H -6.032 6.339 2.857 1.00 . A A . 48 CYS HA 1 1 5 4597 1 1 48 CYS HB2 H -7.157 3.518 2.994 1.00 . A A . 48 CYS HB2 1 1 5 4598 1 1 48 CYS HB3 H -6.027 4.278 4.157 1.00 . A A . 48 CYS HB3 1 1 5 4599 1 1 48 CYS N N -7.276 5.808 1.310 1.00 . A A . 48 CYS N 1 1 5 4600 1 1 48 CYS O O -5.059 3.861 1.075 1.00 . A A . 48 CYS O 1 1 5 4601 1 1 48 CYS SG S -8.270 5.093 4.469 1.00 . A A . 48 CYS SG 1 1 5 4602 1 1 49 GLN C C -1.606 5.328 2.475 1.00 . A A . 49 GLN C 1 1 5 4603 1 1 49 GLN CA C -2.680 5.412 1.425 1.00 . A A . 49 GLN CA 1 1 5 4604 1 1 49 GLN CB C -2.363 6.634 0.544 1.00 . A A . 49 GLN CB 1 1 5 4605 1 1 49 GLN CD C -3.005 7.944 -1.499 1.00 . A A . 49 GLN CD 1 1 5 4606 1 1 49 GLN CG C -3.119 6.597 -0.795 1.00 . A A . 49 GLN CG 1 1 5 4607 1 1 49 GLN H H -4.017 6.431 2.600 1.00 . A A . 49 GLN H 1 1 5 4608 1 1 49 GLN HA H -2.661 4.499 0.853 1.00 . A A . 49 GLN HA 1 1 5 4609 1 1 49 GLN HB2 H -2.677 7.536 1.125 1.00 . A A . 49 GLN HB2 1 1 5 4610 1 1 49 GLN HB3 H -1.272 6.712 0.330 1.00 . A A . 49 GLN HB3 1 1 5 4611 1 1 49 GLN HE21 H -4.339 8.743 -0.188 1.00 . A A . 49 GLN HE21 1 1 5 4612 1 1 49 GLN HE22 H -3.696 9.852 -1.374 1.00 . A A . 49 GLN HE22 1 1 5 4613 1 1 49 GLN HG2 H -2.685 5.814 -1.451 1.00 . A A . 49 GLN HG2 1 1 5 4614 1 1 49 GLN HG3 H -4.194 6.360 -0.631 1.00 . A A . 49 GLN HG3 1 1 5 4615 1 1 49 GLN N N -3.964 5.607 2.029 1.00 . A A . 49 GLN N 1 1 5 4616 1 1 49 GLN NE2 N -3.761 8.939 -0.979 1.00 . A A . 49 GLN NE2 1 1 5 4617 1 1 49 GLN O O -1.503 6.159 3.377 1.00 . A A . 49 GLN O 1 1 5 4618 1 1 49 GLN OE1 O -2.266 8.114 -2.471 1.00 . A A . 49 GLN OE1 1 1 5 4619 1 1 50 CYS C C 1.596 5.008 2.567 1.00 . A A . 50 CYS C 1 1 5 4620 1 1 50 CYS CA C 0.460 4.192 3.162 1.00 . A A . 50 CYS CA 1 1 5 4621 1 1 50 CYS CB C 0.888 2.704 3.318 1.00 . A A . 50 CYS CB 1 1 5 4622 1 1 50 CYS H H -0.860 3.669 1.603 1.00 . A A . 50 CYS H 1 1 5 4623 1 1 50 CYS HA H 0.268 4.623 4.138 1.00 . A A . 50 CYS HA 1 1 5 4624 1 1 50 CYS HB2 H 0.033 2.117 3.717 1.00 . A A . 50 CYS HB2 1 1 5 4625 1 1 50 CYS HB3 H 1.136 2.282 2.321 1.00 . A A . 50 CYS HB3 1 1 5 4626 1 1 50 CYS N N -0.728 4.323 2.340 1.00 . A A . 50 CYS N 1 1 5 4627 1 1 50 CYS O O 2.360 4.536 1.730 1.00 . A A . 50 CYS O 1 1 5 4628 1 1 50 CYS SG S 2.320 2.482 4.425 1.00 . A A . 50 CYS SG 1 1 5 4629 1 1 51 TYR C C 4.152 6.633 3.079 1.00 . A A . 51 TYR C 1 1 5 4630 1 1 51 TYR CA C 2.795 7.193 2.718 1.00 . A A . 51 TYR CA 1 1 5 4631 1 1 51 TYR CB C 2.576 8.586 3.363 1.00 . A A . 51 TYR CB 1 1 5 4632 1 1 51 TYR CD1 C 0.487 9.343 2.136 1.00 . A A . 51 TYR CD1 1 1 5 4633 1 1 51 TYR CD2 C 2.567 10.461 1.650 1.00 . A A . 51 TYR CD2 1 1 5 4634 1 1 51 TYR CE1 C -0.171 10.170 1.220 1.00 . A A . 51 TYR CE1 1 1 5 4635 1 1 51 TYR CE2 C 1.911 11.279 0.728 1.00 . A A . 51 TYR CE2 1 1 5 4636 1 1 51 TYR CG C 1.862 9.488 2.381 1.00 . A A . 51 TYR CG 1 1 5 4637 1 1 51 TYR CZ C 0.538 11.140 0.513 1.00 . A A . 51 TYR CZ 1 1 5 4638 1 1 51 TYR H H 1.074 6.577 3.715 1.00 . A A . 51 TYR H 1 1 5 4639 1 1 51 TYR HA H 2.844 7.309 1.642 1.00 . A A . 51 TYR HA 1 1 5 4640 1 1 51 TYR HB2 H 1.973 8.504 4.289 1.00 . A A . 51 TYR HB2 1 1 5 4641 1 1 51 TYR HB3 H 3.536 9.060 3.656 1.00 . A A . 51 TYR HB3 1 1 5 4642 1 1 51 TYR HD1 H -0.091 8.587 2.644 1.00 . A A . 51 TYR HD1 1 1 5 4643 1 1 51 TYR HD2 H 3.630 10.609 1.759 1.00 . A A . 51 TYR HD2 1 1 5 4644 1 1 51 TYR HE1 H -1.233 10.033 1.075 1.00 . A A . 51 TYR HE1 1 1 5 4645 1 1 51 TYR HE2 H 2.506 12.009 0.207 1.00 . A A . 51 TYR HE2 1 1 5 4646 1 1 51 TYR HH H 0.576 12.416 -0.951 1.00 . A A . 51 TYR HH 1 1 5 4647 1 1 51 TYR N N 1.685 6.288 2.978 1.00 . A A . 51 TYR N 1 1 5 4648 1 1 51 TYR O O 5.094 6.600 2.290 1.00 . A A . 51 TYR O 1 1 5 4649 1 1 51 TYR OH O -0.121 11.961 -0.429 1.00 . A A . 51 TYR OH 1 1 5 4650 1 1 52 ASP C C 5.866 4.356 4.612 1.00 . A A . 52 ASP C 1 1 5 4651 1 1 52 ASP CA C 5.553 5.803 4.896 1.00 . A A . 52 ASP CA 1 1 5 4652 1 1 52 ASP CB C 5.692 6.086 6.409 1.00 . A A . 52 ASP CB 1 1 5 4653 1 1 52 ASP CG C 6.082 7.541 6.599 1.00 . A A . 52 ASP CG 1 1 5 4654 1 1 52 ASP H H 3.450 6.143 4.890 1.00 . A A . 52 ASP H 1 1 5 4655 1 1 52 ASP HA H 6.330 6.365 4.391 1.00 . A A . 52 ASP HA 1 1 5 4656 1 1 52 ASP HB2 H 4.762 5.845 6.948 1.00 . A A . 52 ASP HB2 1 1 5 4657 1 1 52 ASP HB3 H 6.503 5.465 6.839 1.00 . A A . 52 ASP HB3 1 1 5 4658 1 1 52 ASP HD2 H 7.074 8.650 7.816 1.00 . A A . 52 ASP HD2 1 1 5 4659 1 1 52 ASP N N 4.275 6.195 4.341 1.00 . A A . 52 ASP N 1 1 5 4660 1 1 52 ASP O O 5.300 3.427 5.184 1.00 . A A . 52 ASP O 1 1 5 4661 1 1 52 ASP OD1 O 5.872 8.449 5.825 1.00 . A A . 52 ASP OD1 1 1 5 4662 1 1 52 ASP OD2 O 6.725 7.735 7.790 1.00 . A A . 52 ASP OD2 1 1 5 4663 1 1 53 THR C C 8.810 3.101 3.119 1.00 . A A . 53 THR C 1 1 5 4664 1 1 53 THR CA C 7.322 2.907 3.248 1.00 . A A . 53 THR CA 1 1 5 4665 1 1 53 THR CB C 6.678 2.461 1.933 1.00 . A A . 53 THR CB 1 1 5 4666 1 1 53 THR CG2 C 6.828 3.535 0.846 1.00 . A A . 53 THR CG2 1 1 5 4667 1 1 53 THR H H 7.351 4.964 3.395 1.00 . A A . 53 THR H 1 1 5 4668 1 1 53 THR HA H 7.163 2.157 4.005 1.00 . A A . 53 THR HA 1 1 5 4669 1 1 53 THR HB H 5.592 2.309 2.137 1.00 . A A . 53 THR HB 1 1 5 4670 1 1 53 THR HG1 H 6.700 1.043 0.625 1.00 . A A . 53 THR HG1 1 1 5 4671 1 1 53 THR HG21 H 6.313 3.215 -0.077 1.00 . A A . 53 THR HG21 1 1 5 4672 1 1 53 THR HG22 H 7.893 3.721 0.604 1.00 . A A . 53 THR HG22 1 1 5 4673 1 1 53 THR HG23 H 6.365 4.493 1.158 1.00 . A A . 53 THR HG23 1 1 5 4674 1 1 53 THR N N 6.833 4.173 3.720 1.00 . A A . 53 THR N 1 1 5 4675 1 1 53 THR O O 9.312 4.220 3.082 1.00 . A A . 53 THR O 1 1 5 4676 1 1 53 THR OG1 O 7.222 1.244 1.420 1.00 . A A . 53 THR OG1 1 1 5 4677 1 1 54 HIS C C 11.462 0.841 2.212 1.00 . A A . 54 HIS C 1 1 5 4678 1 1 54 HIS CA C 10.999 2.020 3.010 1.00 . A A . 54 HIS CA 1 1 5 4679 1 1 54 HIS CB C 11.705 2.005 4.383 1.00 . A A . 54 HIS CB 1 1 5 4680 1 1 54 HIS CD2 C 14.129 2.175 3.386 1.00 . A A . 54 HIS CD2 1 1 5 4681 1 1 54 HIS CE1 C 14.999 3.257 5.068 1.00 . A A . 54 HIS CE1 1 1 5 4682 1 1 54 HIS CG C 13.160 2.370 4.314 1.00 . A A . 54 HIS CG 1 1 5 4683 1 1 54 HIS H H 9.050 1.170 2.877 1.00 . A A . 54 HIS H 1 1 5 4684 1 1 54 HIS HA H 11.289 2.901 2.460 1.00 . A A . 54 HIS HA 1 1 5 4685 1 1 54 HIS HB2 H 11.231 2.780 5.030 1.00 . A A . 54 HIS HB2 1 1 5 4686 1 1 54 HIS HB3 H 11.583 1.029 4.901 1.00 . A A . 54 HIS HB3 1 1 5 4687 1 1 54 HIS HD1 H 13.262 3.319 6.192 1.00 . A A . 54 HIS HD1 1 1 5 4688 1 1 54 HIS HD2 H 14.095 1.653 2.438 1.00 . A A . 54 HIS HD2 1 1 5 4689 1 1 54 HIS HE1 H 15.672 3.764 5.722 1.00 . A A . 54 HIS HE1 1 1 5 4690 1 1 54 HIS HE2 H 16.169 2.753 3.433 1.00 . A A . 54 HIS HE2 1 1 5 4691 1 1 54 HIS N N 9.555 2.002 3.088 1.00 . A A . 54 HIS N 1 1 5 4692 1 1 54 HIS ND1 N 13.731 3.039 5.354 1.00 . A A . 54 HIS ND1 1 1 5 4693 1 1 54 HIS NE2 N 15.272 2.747 3.878 1.00 . A A . 54 HIS NE2 1 1 5 4694 1 1 54 HIS O O 12.286 0.953 1.314 1.00 . A A . 54 HIS O 1 1 5 4695 1 1 55 LYS C C 10.727 -1.767 0.521 1.00 . A A . 55 LYS C 1 1 5 4696 1 1 55 LYS CA C 11.252 -1.605 1.950 1.00 . A A . 55 LYS CA 1 1 5 4697 1 1 55 LYS CB C 10.741 -2.701 2.917 1.00 . A A . 55 LYS CB 1 1 5 4698 1 1 55 LYS CD C 10.707 -3.330 5.398 1.00 . A A . 55 LYS CD 1 1 5 4699 1 1 55 LYS CE C 11.413 -3.216 6.757 1.00 . A A . 55 LYS CE 1 1 5 4700 1 1 55 LYS CG C 11.523 -2.735 4.241 1.00 . A A . 55 LYS CG 1 1 5 4701 1 1 55 LYS H H 10.416 -0.443 3.403 1.00 . A A . 55 LYS H 1 1 5 4702 1 1 55 LYS HA H 12.324 -1.676 1.867 1.00 . A A . 55 LYS HA 1 1 5 4703 1 1 55 LYS HB2 H 9.677 -2.480 3.161 1.00 . A A . 55 LYS HB2 1 1 5 4704 1 1 55 LYS HB3 H 10.807 -3.712 2.466 1.00 . A A . 55 LYS HB3 1 1 5 4705 1 1 55 LYS HD2 H 9.727 -2.806 5.468 1.00 . A A . 55 LYS HD2 1 1 5 4706 1 1 55 LYS HD3 H 10.503 -4.404 5.189 1.00 . A A . 55 LYS HD3 1 1 5 4707 1 1 55 LYS HE2 H 10.790 -3.677 7.552 1.00 . A A . 55 LYS HE2 1 1 5 4708 1 1 55 LYS HE3 H 12.397 -3.727 6.719 1.00 . A A . 55 LYS HE3 1 1 5 4709 1 1 55 LYS HG2 H 12.462 -3.319 4.101 1.00 . A A . 55 LYS HG2 1 1 5 4710 1 1 55 LYS HG3 H 11.827 -1.706 4.535 1.00 . A A . 55 LYS HG3 1 1 5 4711 1 1 55 LYS HZ1 H 10.743 -1.283 7.140 1.00 . A A . 55 LYS HZ1 1 1 5 4712 1 1 55 LYS HZ2 H 12.276 -1.361 6.418 1.00 . A A . 55 LYS HZ2 1 1 5 4713 1 1 55 LYS HZ3 H 12.095 -1.743 8.063 1.00 . A A . 55 LYS HZ3 1 1 5 4714 1 1 55 LYS N N 10.945 -0.344 2.566 1.00 . A A . 55 LYS N 1 1 5 4715 1 1 55 LYS NZ N 11.650 -1.799 7.125 1.00 . A A . 55 LYS NZ 1 1 5 4716 1 1 55 LYS O O 11.215 -1.147 -0.423 1.00 . A A . 55 LYS O 1 1 5 4717 1 1 56 PHE C C 7.948 -3.470 -1.093 1.00 . A A . 56 PHE C 1 1 5 4718 1 1 56 PHE CA C 9.415 -3.087 -1.048 1.00 . A A . 56 PHE CA 1 1 5 4719 1 1 56 PHE CB C 10.375 -4.223 -1.511 1.00 . A A . 56 PHE CB 1 1 5 4720 1 1 56 PHE CD1 C 9.531 -6.376 -0.504 1.00 . A A . 56 PHE CD1 1 1 5 4721 1 1 56 PHE CD2 C 11.509 -5.364 0.447 1.00 . A A . 56 PHE CD2 1 1 5 4722 1 1 56 PHE CE1 C 9.609 -7.411 0.431 1.00 . A A . 56 PHE CE1 1 1 5 4723 1 1 56 PHE CE2 C 11.585 -6.390 1.392 1.00 . A A . 56 PHE CE2 1 1 5 4724 1 1 56 PHE CG C 10.473 -5.337 -0.503 1.00 . A A . 56 PHE CG 1 1 5 4725 1 1 56 PHE CZ C 10.634 -7.416 1.383 1.00 . A A . 56 PHE CZ 1 1 5 4726 1 1 56 PHE H H 9.266 -3.112 1.026 1.00 . A A . 56 PHE H 1 1 5 4727 1 1 56 PHE HA H 9.513 -2.258 -1.736 1.00 . A A . 56 PHE HA 1 1 5 4728 1 1 56 PHE HB2 H 10.077 -4.649 -2.487 1.00 . A A . 56 PHE HB2 1 1 5 4729 1 1 56 PHE HB3 H 11.393 -3.792 -1.647 1.00 . A A . 56 PHE HB3 1 1 5 4730 1 1 56 PHE HD1 H 8.736 -6.390 -1.239 1.00 . A A . 56 PHE HD1 1 1 5 4731 1 1 56 PHE HD2 H 12.252 -4.577 0.473 1.00 . A A . 56 PHE HD2 1 1 5 4732 1 1 56 PHE HE1 H 8.876 -8.203 0.404 1.00 . A A . 56 PHE HE1 1 1 5 4733 1 1 56 PHE HE2 H 12.380 -6.388 2.124 1.00 . A A . 56 PHE HE2 1 1 5 4734 1 1 56 PHE HZ H 10.698 -8.216 2.110 1.00 . A A . 56 PHE HZ 1 1 5 4735 1 1 56 PHE N N 9.746 -2.648 0.290 1.00 . A A . 56 PHE N 1 1 5 4736 1 1 56 PHE O O 7.219 -3.335 -0.109 1.00 . A A . 56 PHE O 1 1 5 4737 1 1 57 CYS C C 5.674 -5.552 -1.812 1.00 . A A . 57 CYS C 1 1 5 4738 1 1 57 CYS CA C 6.047 -4.225 -2.424 1.00 . A A . 57 CYS CA 1 1 5 4739 1 1 57 CYS CB C 5.674 -4.254 -3.923 1.00 . A A . 57 CYS CB 1 1 5 4740 1 1 57 CYS H H 8.003 -4.114 -3.065 1.00 . A A . 57 CYS H 1 1 5 4741 1 1 57 CYS HA H 5.468 -3.457 -1.931 1.00 . A A . 57 CYS HA 1 1 5 4742 1 1 57 CYS HB2 H 6.127 -5.159 -4.384 1.00 . A A . 57 CYS HB2 1 1 5 4743 1 1 57 CYS HB3 H 4.572 -4.329 -4.041 1.00 . A A . 57 CYS HB3 1 1 5 4744 1 1 57 CYS N N 7.448 -3.940 -2.248 1.00 . A A . 57 CYS N 1 1 5 4745 1 1 57 CYS O O 6.294 -6.579 -2.073 1.00 . A A . 57 CYS O 1 1 5 4746 1 1 57 CYS SG S 6.334 -2.814 -4.814 1.00 . A A . 57 CYS SG 1 1 5 4747 1 1 58 TYR C C 3.484 -7.728 -1.333 1.00 . A A . 58 TYR C 1 1 5 4748 1 1 58 TYR CA C 4.163 -6.791 -0.350 1.00 . A A . 58 TYR CA 1 1 5 4749 1 1 58 TYR CB C 3.162 -6.510 0.806 1.00 . A A . 58 TYR CB 1 1 5 4750 1 1 58 TYR CD1 C 4.421 -7.216 2.849 1.00 . A A . 58 TYR CD1 1 1 5 4751 1 1 58 TYR CD2 C 2.492 -8.524 2.231 1.00 . A A . 58 TYR CD2 1 1 5 4752 1 1 58 TYR CE1 C 4.615 -8.028 3.970 1.00 . A A . 58 TYR CE1 1 1 5 4753 1 1 58 TYR CE2 C 2.687 -9.336 3.352 1.00 . A A . 58 TYR CE2 1 1 5 4754 1 1 58 TYR CG C 3.356 -7.449 1.969 1.00 . A A . 58 TYR CG 1 1 5 4755 1 1 58 TYR CZ C 3.747 -9.098 4.226 1.00 . A A . 58 TYR CZ 1 1 5 4756 1 1 58 TYR H H 4.222 -4.706 -0.677 1.00 . A A . 58 TYR H 1 1 5 4757 1 1 58 TYR HA H 5.021 -7.320 0.049 1.00 . A A . 58 TYR HA 1 1 5 4758 1 1 58 TYR HB2 H 3.325 -5.490 1.202 1.00 . A A . 58 TYR HB2 1 1 5 4759 1 1 58 TYR HB3 H 2.117 -6.583 0.452 1.00 . A A . 58 TYR HB3 1 1 5 4760 1 1 58 TYR HD1 H 5.083 -6.383 2.686 1.00 . A A . 58 TYR HD1 1 1 5 4761 1 1 58 TYR HD2 H 1.637 -8.732 1.606 1.00 . A A . 58 TYR HD2 1 1 5 4762 1 1 58 TYR HE1 H 5.421 -7.775 4.632 1.00 . A A . 58 TYR HE1 1 1 5 4763 1 1 58 TYR HE2 H 1.995 -10.145 3.528 1.00 . A A . 58 TYR HE2 1 1 5 4764 1 1 58 TYR HH H 4.730 -9.696 5.814 1.00 . A A . 58 TYR HH 1 1 5 4765 1 1 58 TYR N N 4.636 -5.564 -0.963 1.00 . A A . 58 TYR N 1 1 5 4766 1 1 58 TYR O O 3.116 -7.375 -2.454 1.00 . A A . 58 TYR O 1 1 5 4767 1 1 58 TYR OH O 3.899 -9.936 5.354 1.00 . A A . 58 TYR OH 1 1 5 4768 1 1 59 LYS C C 0.943 -9.422 -1.566 1.00 . A A . 59 LYS C 1 1 5 4769 1 1 59 LYS CA C 2.360 -9.946 -1.376 1.00 . A A . 59 LYS CA 1 1 5 4770 1 1 59 LYS CB C 2.366 -11.210 -0.493 1.00 . A A . 59 LYS CB 1 1 5 4771 1 1 59 LYS CD C 3.943 -12.942 0.590 1.00 . A A . 59 LYS CD 1 1 5 4772 1 1 59 LYS CE C 4.423 -12.216 1.854 1.00 . A A . 59 LYS CE 1 1 5 4773 1 1 59 LYS CG C 3.690 -11.991 -0.588 1.00 . A A . 59 LYS CG 1 1 5 4774 1 1 59 LYS H H 3.689 -9.166 0.021 1.00 . A A . 59 LYS H 1 1 5 4775 1 1 59 LYS HA H 2.704 -10.220 -2.360 1.00 . A A . 59 LYS HA 1 1 5 4776 1 1 59 LYS HB2 H 2.175 -10.904 0.556 1.00 . A A . 59 LYS HB2 1 1 5 4777 1 1 59 LYS HB3 H 1.541 -11.888 -0.799 1.00 . A A . 59 LYS HB3 1 1 5 4778 1 1 59 LYS HD2 H 3.023 -13.528 0.808 1.00 . A A . 59 LYS HD2 1 1 5 4779 1 1 59 LYS HD3 H 4.739 -13.656 0.284 1.00 . A A . 59 LYS HD3 1 1 5 4780 1 1 59 LYS HE2 H 5.315 -11.593 1.627 1.00 . A A . 59 LYS HE2 1 1 5 4781 1 1 59 LYS HE3 H 3.621 -11.573 2.267 1.00 . A A . 59 LYS HE3 1 1 5 4782 1 1 59 LYS HG2 H 3.684 -12.572 -1.538 1.00 . A A . 59 LYS HG2 1 1 5 4783 1 1 59 LYS HG3 H 4.553 -11.295 -0.656 1.00 . A A . 59 LYS HG3 1 1 5 4784 1 1 59 LYS HZ1 H 3.980 -13.718 3.212 1.00 . A A . 59 LYS HZ1 1 1 5 4785 1 1 59 LYS HZ2 H 5.205 -12.657 3.722 1.00 . A A . 59 LYS HZ2 1 1 5 4786 1 1 59 LYS HZ3 H 5.536 -13.827 2.536 1.00 . A A . 59 LYS HZ3 1 1 5 4787 1 1 59 LYS N N 3.292 -8.965 -0.866 1.00 . A A . 59 LYS N 1 1 5 4788 1 1 59 LYS NZ N 4.814 -13.175 2.907 1.00 . A A . 59 LYS NZ 1 1 5 4789 1 1 59 LYS O O 0.502 -8.432 -0.968 1.00 . A A . 59 LYS O 1 1 5 4790 1 1 60 ALA C C -2.205 -9.498 -2.009 1.00 . A A . 60 ALA C 1 1 5 4791 1 1 60 ALA CA C -1.034 -9.529 -2.969 1.00 . A A . 60 ALA CA 1 1 5 4792 1 1 60 ALA CB C -1.412 -10.223 -4.272 1.00 . A A . 60 ALA CB 1 1 5 4793 1 1 60 ALA H H 0.547 -10.881 -2.948 1.00 . A A . 60 ALA H 1 1 5 4794 1 1 60 ALA HA H -0.834 -8.501 -3.206 1.00 . A A . 60 ALA HA 1 1 5 4795 1 1 60 ALA HB1 H -1.615 -11.300 -4.092 1.00 . A A . 60 ALA HB1 1 1 5 4796 1 1 60 ALA HB2 H -0.557 -10.157 -4.984 1.00 . A A . 60 ALA HB2 1 1 5 4797 1 1 60 ALA HB3 H -2.302 -9.764 -4.751 1.00 . A A . 60 ALA HB3 1 1 5 4798 1 1 60 ALA N N 0.197 -10.071 -2.469 1.00 . A A . 60 ALA N 1 1 5 4799 1 1 60 ALA O O -2.342 -10.288 -1.075 1.00 . A A . 60 ALA O 1 1 5 4800 1 1 61 CYS C C -5.497 -8.401 -2.132 1.00 . A A . 61 CYS C 1 1 5 4801 1 1 61 CYS CA C -4.191 -8.141 -1.412 1.00 . A A . 61 CYS CA 1 1 5 4802 1 1 61 CYS CB C -4.089 -6.643 -1.052 1.00 . A A . 61 CYS CB 1 1 5 4803 1 1 61 CYS H H -2.882 -7.906 -3.014 1.00 . A A . 61 CYS H 1 1 5 4804 1 1 61 CYS HA H -4.177 -8.755 -0.518 1.00 . A A . 61 CYS HA 1 1 5 4805 1 1 61 CYS HB2 H -3.005 -6.404 -0.991 1.00 . A A . 61 CYS HB2 1 1 5 4806 1 1 61 CYS HB3 H -4.492 -6.003 -1.862 1.00 . A A . 61 CYS HB3 1 1 5 4807 1 1 61 CYS N N -3.075 -8.504 -2.251 1.00 . A A . 61 CYS N 1 1 5 4808 1 1 61 CYS O O -6.464 -7.655 -2.026 1.00 . A A . 61 CYS O 1 1 5 4809 1 1 61 CYS SG S -4.864 -6.258 0.550 1.00 . A A . 61 CYS SG 1 1 5 4810 1 1 62 HIS C C -7.413 -10.980 -2.446 1.00 . A A . 62 HIS C 1 1 5 4811 1 1 62 HIS CA C -6.813 -10.000 -3.431 1.00 . A A . 62 HIS CA 1 1 5 4812 1 1 62 HIS CB C -6.645 -10.699 -4.792 1.00 . A A . 62 HIS CB 1 1 5 4813 1 1 62 HIS CD2 C -5.626 -8.542 -5.825 1.00 . A A . 62 HIS CD2 1 1 5 4814 1 1 62 HIS CE1 C -5.514 -9.249 -7.887 1.00 . A A . 62 HIS CE1 1 1 5 4815 1 1 62 HIS CG C -6.120 -9.802 -5.868 1.00 . A A . 62 HIS CG 1 1 5 4816 1 1 62 HIS H H -4.770 -10.118 -2.930 1.00 . A A . 62 HIS H 1 1 5 4817 1 1 62 HIS HA H -7.496 -9.173 -3.577 1.00 . A A . 62 HIS HA 1 1 5 4818 1 1 62 HIS HB2 H -5.962 -11.565 -4.699 1.00 . A A . 62 HIS HB2 1 1 5 4819 1 1 62 HIS HB3 H -7.624 -11.092 -5.134 1.00 . A A . 62 HIS HB3 1 1 5 4820 1 1 62 HIS HD1 H -6.349 -11.108 -7.515 1.00 . A A . 62 HIS HD1 1 1 5 4821 1 1 62 HIS HD2 H -5.527 -7.865 -4.982 1.00 . A A . 62 HIS HD2 1 1 5 4822 1 1 62 HIS HE1 H -5.350 -9.295 -8.942 1.00 . A A . 62 HIS HE1 1 1 5 4823 1 1 62 HIS HE2 H -4.837 -7.358 -7.404 1.00 . A A . 62 HIS HE2 1 1 5 4824 1 1 62 HIS N N -5.565 -9.520 -2.871 1.00 . A A . 62 HIS N 1 1 5 4825 1 1 62 HIS ND1 N -6.045 -10.219 -7.166 1.00 . A A . 62 HIS ND1 1 1 5 4826 1 1 62 HIS NE2 N -5.243 -8.220 -7.098 1.00 . A A . 62 HIS NE2 1 1 5 4827 1 1 62 HIS O O -6.748 -11.920 -2.019 1.00 . A A . 62 HIS O 1 1 5 4828 1 1 63 ASN C C -10.801 -11.018 -0.979 1.00 . A A . 63 ASN C 1 1 5 4829 1 1 63 ASN CA C -9.402 -11.578 -1.115 1.00 . A A . 63 ASN CA 1 1 5 4830 1 1 63 ASN CB C -8.761 -11.853 0.275 1.00 . A A . 63 ASN CB 1 1 5 4831 1 1 63 ASN CG C -8.293 -10.616 1.047 1.00 . A A . 63 ASN CG 1 1 5 4832 1 1 63 ASN H H -9.207 -10.014 -2.427 1.00 . A A . 63 ASN H 1 1 5 4833 1 1 63 ASN HA H -9.512 -12.528 -1.593 1.00 . A A . 63 ASN HA 1 1 5 4834 1 1 63 ASN HB2 H -9.496 -12.397 0.905 1.00 . A A . 63 ASN HB2 1 1 5 4835 1 1 63 ASN HB3 H -7.915 -12.543 0.095 1.00 . A A . 63 ASN HB3 1 1 5 4836 1 1 63 ASN HD21 H -6.599 -10.422 -0.091 1.00 . A A . 63 ASN HD21 1 1 5 4837 1 1 63 ASN HD22 H -6.791 -9.263 1.196 1.00 . A A . 63 ASN HD22 1 1 5 4838 1 1 63 ASN N N -8.666 -10.756 -2.039 1.00 . A A . 63 ASN N 1 1 5 4839 1 1 63 ASN ND2 N -7.117 -10.047 0.674 1.00 . A A . 63 ASN ND2 1 1 5 4840 1 1 63 ASN O O -11.225 -10.476 0.031 1.00 . A A . 63 ASN O 1 1 5 4841 1 1 63 ASN OD1 O -8.938 -10.167 1.999 1.00 . A A . 63 ASN OD1 1 1 5 4842 1 1 64 SER C C -13.707 -12.203 -2.366 1.00 . A A . 64 SER C 1 1 5 4843 1 1 64 SER CA C -12.999 -10.912 -2.055 1.00 . A A . 64 SER CA 1 1 5 4844 1 1 64 SER CB C -13.388 -9.803 -3.046 1.00 . A A . 64 SER CB 1 1 5 4845 1 1 64 SER H H -11.148 -11.572 -2.880 1.00 . A A . 64 SER H 1 1 5 4846 1 1 64 SER HA H -13.322 -10.600 -1.071 1.00 . A A . 64 SER HA 1 1 5 4847 1 1 64 SER HB2 H -12.725 -8.933 -2.857 1.00 . A A . 64 SER HB2 1 1 5 4848 1 1 64 SER HB3 H -13.229 -10.134 -4.094 1.00 . A A . 64 SER HB3 1 1 5 4849 1 1 64 SER HG H -14.820 -8.533 -3.310 1.00 . A A . 64 SER HG 1 1 5 4850 1 1 64 SER N N -11.577 -11.176 -2.055 1.00 . A A . 64 SER N 1 1 5 4851 1 1 64 SER O O -14.248 -12.439 -3.444 1.00 . A A . 64 SER O 1 1 5 4852 1 1 64 SER OG O -14.739 -9.383 -2.839 1.00 . A A . 64 SER OG 1 1 5 4853 1 1 65 GLU C C -15.766 -14.467 -1.637 1.00 . A A . 65 GLU C 1 1 5 4854 1 1 65 GLU CA C -14.274 -14.437 -1.373 1.00 . A A . 65 GLU CA 1 1 5 4855 1 1 65 GLU CB C -13.889 -15.209 -0.082 1.00 . A A . 65 GLU CB 1 1 5 4856 1 1 65 GLU CD C -13.506 -14.879 2.410 1.00 . A A . 65 GLU CD 1 1 5 4857 1 1 65 GLU CG C -14.490 -14.688 1.252 1.00 . A A . 65 GLU CG 1 1 5 4858 1 1 65 GLU H H -13.130 -12.893 -0.574 1.00 . A A . 65 GLU H 1 1 5 4859 1 1 65 GLU HA H -13.839 -14.956 -2.213 1.00 . A A . 65 GLU HA 1 1 5 4860 1 1 65 GLU HB2 H -14.161 -16.279 -0.200 1.00 . A A . 65 GLU HB2 1 1 5 4861 1 1 65 GLU HB3 H -12.779 -15.175 -0.035 1.00 . A A . 65 GLU HB3 1 1 5 4862 1 1 65 GLU HE2 H -13.565 -12.927 2.650 1.00 . A A . 65 GLU HE2 1 1 5 4863 1 1 65 GLU HG2 H -14.782 -13.630 1.168 1.00 . A A . 65 GLU HG2 1 1 5 4864 1 1 65 GLU HG3 H -15.406 -15.273 1.487 1.00 . A A . 65 GLU HG3 1 1 5 4865 1 1 65 GLU N N -13.664 -13.118 -1.381 1.00 . A A . 65 GLU N 1 1 5 4866 1 1 65 GLU O O -16.318 -15.434 -2.157 1.00 . A A . 65 GLU O 1 1 5 4867 1 1 65 GLU OE1 O -13.067 -15.956 2.772 1.00 . A A . 65 GLU OE1 1 1 5 4868 1 1 65 GLU OE2 O -13.093 -13.706 3.009 1.00 . A A . 65 GLU OE2 1 1 5 4869 1 1 66 ILE C C -18.011 -11.620 -1.515 1.00 . A A . 66 ILE C 1 1 5 4870 1 1 66 ILE CA C -17.862 -13.127 -1.382 1.00 . A A . 66 ILE CA 1 1 5 4871 1 1 66 ILE CB C -18.629 -13.588 -0.131 1.00 . A A . 66 ILE CB 1 1 5 4872 1 1 66 ILE CD1 C -18.911 -15.425 1.627 1.00 . A A . 66 ILE CD1 1 1 5 4873 1 1 66 ILE CG1 C -18.348 -15.056 0.255 1.00 . A A . 66 ILE CG1 1 1 5 4874 1 1 66 ILE CG2 C -20.134 -13.386 -0.392 1.00 . A A . 66 ILE CG2 1 1 5 4875 1 1 66 ILE H H -15.861 -12.624 -0.953 1.00 . A A . 66 ILE H 1 1 5 4876 1 1 66 ILE HA H -18.264 -13.590 -2.268 1.00 . A A . 66 ILE HA 1 1 5 4877 1 1 66 ILE HB H -18.328 -12.981 0.751 1.00 . A A . 66 ILE HB 1 1 5 4878 1 1 66 ILE HD11 H -18.584 -16.445 1.915 1.00 . A A . 66 ILE HD11 1 1 5 4879 1 1 66 ILE HD12 H -20.021 -15.401 1.629 1.00 . A A . 66 ILE HD12 1 1 5 4880 1 1 66 ILE HD13 H -18.545 -14.716 2.400 1.00 . A A . 66 ILE HD13 1 1 5 4881 1 1 66 ILE HG12 H -18.754 -15.731 -0.526 1.00 . A A . 66 ILE HG12 1 1 5 4882 1 1 66 ILE HG13 H -17.253 -15.218 0.304 1.00 . A A . 66 ILE HG13 1 1 5 4883 1 1 66 ILE HG21 H -20.473 -14.028 -1.234 1.00 . A A . 66 ILE HG21 1 1 5 4884 1 1 66 ILE HG22 H -20.382 -12.334 -0.637 1.00 . A A . 66 ILE HG22 1 1 5 4885 1 1 66 ILE HG23 H -20.717 -13.662 0.508 1.00 . A A . 66 ILE HG23 1 1 5 4886 1 1 66 ILE N N -16.430 -13.345 -1.329 1.00 . A A . 66 ILE N 1 1 5 4887 1 1 66 ILE O O -18.399 -11.109 -2.564 1.00 . A A . 66 ILE O 1 1 5 4888 1 1 67 GLU C C -16.012 -9.389 0.327 1.00 . A A . 67 GLU C 1 1 5 4889 1 1 67 GLU CA C -17.380 -9.481 -0.396 1.00 . A A . 67 GLU CA 1 1 5 4890 1 1 67 GLU CB C -18.416 -8.701 0.459 1.00 . A A . 67 GLU CB 1 1 5 4891 1 1 67 GLU CD C -20.776 -7.822 0.754 1.00 . A A . 67 GLU CD 1 1 5 4892 1 1 67 GLU CG C -19.837 -8.628 -0.146 1.00 . A A . 67 GLU CG 1 1 5 4893 1 1 67 GLU H H -17.200 -11.306 0.357 1.00 . A A . 67 GLU H 1 1 5 4894 1 1 67 GLU HA H -17.279 -9.073 -1.394 1.00 . A A . 67 GLU HA 1 1 5 4895 1 1 67 GLU HB2 H -18.464 -9.174 1.465 1.00 . A A . 67 GLU HB2 1 1 5 4896 1 1 67 GLU HB3 H -18.035 -7.663 0.596 1.00 . A A . 67 GLU HB3 1 1 5 4897 1 1 67 GLU HE2 H -22.510 -7.048 0.809 1.00 . A A . 67 GLU HE2 1 1 5 4898 1 1 67 GLU HG2 H -19.798 -8.151 -1.147 1.00 . A A . 67 GLU HG2 1 1 5 4899 1 1 67 GLU HG3 H -20.255 -9.649 -0.260 1.00 . A A . 67 GLU HG3 1 1 5 4900 1 1 67 GLU N N -17.634 -10.894 -0.444 1.00 . A A . 67 GLU N 1 1 5 4901 1 1 67 GLU O O -15.502 -8.250 0.491 1.00 . A A . 67 GLU O 1 1 5 4902 1 1 67 GLU OXT O -15.487 -10.467 0.745 1.00 . A A . 67 GLU OXT 1 1 5 4903 1 1 67 GLU OE1 O -20.543 -7.417 1.879 1.00 . A A . 67 GLU OE1 1 1 5 4904 1 1 67 GLU OE2 O -22.001 -7.555 0.176 1.00 . A A . 67 GLU OE2 1 1 5 4905 2 2 1 CL CL CL 1.149 -13.778 4.686 1.00 . B A . 68 CL CL 1 1 5 4906 3 2 1 CL CL CL 4.676 -5.694 6.962 1.00 . C A . 69 CL CL 1 1 5 4907 4 2 1 CL CL CL -7.862 3.479 9.017 1.00 . D A . 70 CL CL 1 1 5 4908 5 2 1 CL CL CL -8.272 -6.081 15.433 1.00 . E A . 71 CL CL 1 1 5 4909 6 2 1 CL CL CL 5.472 15.135 5.956 1.00 . F A . 72 CL CL 1 1 5 4910 7 2 1 CL CL CL 14.863 -0.997 3.992 1.00 . G A . 73 CL CL 1 1 5 4911 8 2 1 CL CL CL -3.245 -6.641 -9.734 1.00 . H A . 74 CL CL 1 1 5 4912 9 2 1 CL CL CL 1.604 8.853 -6.493 1.00 . I A . 75 CL CL 1 1 5 4913 10 2 1 CL CL CL 9.104 0.855 6.890 1.00 . J A . 76 CL CL 1 1 5 4914 11 2 1 CL CL CL 1.075 14.847 4.407 1.00 . K A . 77 CL CL 1 1 5 4915 12 2 1 CL CL CL -0.490 -9.840 13.279 1.00 . L A . 78 CL CL 1 1 6 4916 1 1 1 GLY C C -1.155 -19.080 3.372 1.00 . A A . 1 GLY C 1 1 6 4917 1 1 1 GLY CA C -1.141 -20.491 3.873 1.00 . A A . 1 GLY CA 1 1 6 4918 1 1 1 GLY H1 H -1.984 -21.641 5.384 1.00 . A A . 1 GLY H1 1 1 6 4919 1 1 1 GLY H2 H -3.031 -20.465 4.751 1.00 . A A . 1 GLY H2 1 1 6 4920 1 1 1 GLY H3 H -1.770 -20.006 5.792 1.00 . A A . 1 GLY H3 1 1 6 4921 1 1 1 GLY HA2 H -0.145 -20.725 4.221 1.00 . A A . 1 GLY HA2 1 1 6 4922 1 1 1 GLY HA3 H -1.500 -21.144 3.092 1.00 . A A . 1 GLY HA3 1 1 6 4923 1 1 1 GLY N N -2.049 -20.664 5.036 1.00 . A A . 1 GLY N 1 1 6 4924 1 1 1 GLY O O -0.158 -18.365 3.434 1.00 . A A . 1 GLY O 1 1 6 4925 1 1 2 ASP C C -4.031 -17.039 2.417 1.00 . A A . 2 ASP C 1 1 6 4926 1 1 2 ASP CA C -2.537 -17.277 2.387 1.00 . A A . 2 ASP CA 1 1 6 4927 1 1 2 ASP CB C -2.046 -17.053 0.939 1.00 . A A . 2 ASP CB 1 1 6 4928 1 1 2 ASP CG C -0.547 -16.918 0.910 1.00 . A A . 2 ASP CG 1 1 6 4929 1 1 2 ASP H H -3.084 -19.270 2.751 1.00 . A A . 2 ASP H 1 1 6 4930 1 1 2 ASP HA H -2.099 -16.570 3.081 1.00 . A A . 2 ASP HA 1 1 6 4931 1 1 2 ASP HB2 H -2.344 -17.909 0.297 1.00 . A A . 2 ASP HB2 1 1 6 4932 1 1 2 ASP HB3 H -2.478 -16.123 0.510 1.00 . A A . 2 ASP HB3 1 1 6 4933 1 1 2 ASP HD2 H -0.859 -15.165 1.747 1.00 . A A . 2 ASP HD2 1 1 6 4934 1 1 2 ASP N N -2.316 -18.628 2.865 1.00 . A A . 2 ASP N 1 1 6 4935 1 1 2 ASP O O -4.725 -16.874 1.415 1.00 . A A . 2 ASP O 1 1 6 4936 1 1 2 ASP OD1 O 0.235 -17.744 0.472 1.00 . A A . 2 ASP OD1 1 1 6 4937 1 1 2 ASP OD2 O -0.129 -15.725 1.430 1.00 . A A . 2 ASP OD2 1 1 6 4938 1 1 3 ASP C C -5.973 -16.225 5.323 1.00 . A A . 3 ASP C 1 1 6 4939 1 1 3 ASP CA C -5.949 -16.847 3.947 1.00 . A A . 3 ASP CA 1 1 6 4940 1 1 3 ASP CB C -6.745 -18.174 3.850 1.00 . A A . 3 ASP CB 1 1 6 4941 1 1 3 ASP CG C -6.135 -19.340 4.621 1.00 . A A . 3 ASP CG 1 1 6 4942 1 1 3 ASP H H -3.976 -17.220 4.414 1.00 . A A . 3 ASP H 1 1 6 4943 1 1 3 ASP HA H -6.383 -16.118 3.277 1.00 . A A . 3 ASP HA 1 1 6 4944 1 1 3 ASP HB2 H -7.784 -17.992 4.179 1.00 . A A . 3 ASP HB2 1 1 6 4945 1 1 3 ASP HB3 H -6.761 -18.473 2.785 1.00 . A A . 3 ASP HB3 1 1 6 4946 1 1 3 ASP HD2 H -6.557 -20.621 5.963 1.00 . A A . 3 ASP HD2 1 1 6 4947 1 1 3 ASP N N -4.561 -17.033 3.635 1.00 . A A . 3 ASP N 1 1 6 4948 1 1 3 ASP O O -6.375 -16.825 6.313 1.00 . A A . 3 ASP O 1 1 6 4949 1 1 3 ASP OD1 O -4.988 -19.744 4.543 1.00 . A A . 3 ASP OD1 1 1 6 4950 1 1 3 ASP OD2 O -7.041 -19.947 5.450 1.00 . A A . 3 ASP OD2 1 1 6 4951 1 1 4 VAL C C -5.259 -12.841 6.364 1.00 . A A . 4 VAL C 1 1 6 4952 1 1 4 VAL CA C -5.066 -14.321 6.601 1.00 . A A . 4 VAL CA 1 1 6 4953 1 1 4 VAL CB C -3.631 -14.678 6.995 1.00 . A A . 4 VAL CB 1 1 6 4954 1 1 4 VAL CG1 C -2.608 -14.383 5.877 1.00 . A A . 4 VAL CG1 1 1 6 4955 1 1 4 VAL CG2 C -3.194 -14.023 8.316 1.00 . A A . 4 VAL CG2 1 1 6 4956 1 1 4 VAL H H -5.156 -14.544 4.560 1.00 . A A . 4 VAL H 1 1 6 4957 1 1 4 VAL HA H -5.736 -14.605 7.395 1.00 . A A . 4 VAL HA 1 1 6 4958 1 1 4 VAL HB H -3.655 -15.780 7.143 1.00 . A A . 4 VAL HB 1 1 6 4959 1 1 4 VAL HG11 H -2.807 -14.975 4.962 1.00 . A A . 4 VAL HG11 1 1 6 4960 1 1 4 VAL HG12 H -1.586 -14.648 6.225 1.00 . A A . 4 VAL HG12 1 1 6 4961 1 1 4 VAL HG13 H -2.602 -13.306 5.611 1.00 . A A . 4 VAL HG13 1 1 6 4962 1 1 4 VAL HG21 H -3.919 -14.237 9.127 1.00 . A A . 4 VAL HG21 1 1 6 4963 1 1 4 VAL HG22 H -3.090 -12.923 8.209 1.00 . A A . 4 VAL HG22 1 1 6 4964 1 1 4 VAL HG23 H -2.206 -14.417 8.633 1.00 . A A . 4 VAL HG23 1 1 6 4965 1 1 4 VAL N N -5.429 -15.010 5.390 1.00 . A A . 4 VAL N 1 1 6 4966 1 1 4 VAL O O -5.107 -12.347 5.247 1.00 . A A . 4 VAL O 1 1 6 4967 1 1 5 LYS C C -4.458 -9.910 7.604 1.00 . A A . 5 LYS C 1 1 6 4968 1 1 5 LYS CA C -5.763 -10.635 7.363 1.00 . A A . 5 LYS CA 1 1 6 4969 1 1 5 LYS CB C -6.849 -10.175 8.350 1.00 . A A . 5 LYS CB 1 1 6 4970 1 1 5 LYS CD C -8.750 -9.876 6.659 1.00 . A A . 5 LYS CD 1 1 6 4971 1 1 5 LYS CE C -8.773 -10.716 5.373 1.00 . A A . 5 LYS CE 1 1 6 4972 1 1 5 LYS CG C -8.263 -10.600 7.928 1.00 . A A . 5 LYS CG 1 1 6 4973 1 1 5 LYS H H -5.766 -12.495 8.293 1.00 . A A . 5 LYS H 1 1 6 4974 1 1 5 LYS HA H -6.042 -10.357 6.364 1.00 . A A . 5 LYS HA 1 1 6 4975 1 1 5 LYS HB2 H -6.617 -10.593 9.352 1.00 . A A . 5 LYS HB2 1 1 6 4976 1 1 5 LYS HB3 H -6.838 -9.067 8.445 1.00 . A A . 5 LYS HB3 1 1 6 4977 1 1 5 LYS HD2 H -9.776 -9.495 6.848 1.00 . A A . 5 LYS HD2 1 1 6 4978 1 1 5 LYS HD3 H -8.112 -8.981 6.492 1.00 . A A . 5 LYS HD3 1 1 6 4979 1 1 5 LYS HE2 H -9.005 -10.067 4.501 1.00 . A A . 5 LYS HE2 1 1 6 4980 1 1 5 LYS HE3 H -7.803 -11.224 5.202 1.00 . A A . 5 LYS HE3 1 1 6 4981 1 1 5 LYS HG2 H -8.306 -11.703 7.796 1.00 . A A . 5 LYS HG2 1 1 6 4982 1 1 5 LYS HG3 H -8.952 -10.341 8.766 1.00 . A A . 5 LYS HG3 1 1 6 4983 1 1 5 LYS HZ1 H -10.745 -11.302 5.607 1.00 . A A . 5 LYS HZ1 1 1 6 4984 1 1 5 LYS HZ2 H -9.616 -12.411 6.215 1.00 . A A . 5 LYS HZ2 1 1 6 4985 1 1 5 LYS HZ3 H -9.854 -12.278 4.538 1.00 . A A . 5 LYS HZ3 1 1 6 4986 1 1 5 LYS N N -5.599 -12.074 7.412 1.00 . A A . 5 LYS N 1 1 6 4987 1 1 5 LYS NZ N -9.823 -11.753 5.435 1.00 . A A . 5 LYS NZ 1 1 6 4988 1 1 5 LYS O O -4.345 -8.928 8.335 1.00 . A A . 5 LYS O 1 1 6 4989 1 1 6 SER C C -2.243 -8.413 6.005 1.00 . A A . 6 SER C 1 1 6 4990 1 1 6 SER CA C -2.142 -9.769 6.692 1.00 . A A . 6 SER CA 1 1 6 4991 1 1 6 SER CB C -1.180 -10.700 5.890 1.00 . A A . 6 SER CB 1 1 6 4992 1 1 6 SER H H -3.663 -11.203 6.364 1.00 . A A . 6 SER H 1 1 6 4993 1 1 6 SER HA H -1.694 -9.583 7.654 1.00 . A A . 6 SER HA 1 1 6 4994 1 1 6 SER HB2 H -0.153 -10.278 5.827 1.00 . A A . 6 SER HB2 1 1 6 4995 1 1 6 SER HB3 H -1.096 -11.659 6.451 1.00 . A A . 6 SER HB3 1 1 6 4996 1 1 6 SER HG H -1.571 -10.191 4.047 1.00 . A A . 6 SER HG 1 1 6 4997 1 1 6 SER N N -3.430 -10.404 6.916 1.00 . A A . 6 SER N 1 1 6 4998 1 1 6 SER O O -3.302 -7.953 5.580 1.00 . A A . 6 SER O 1 1 6 4999 1 1 6 SER OG O -1.672 -11.000 4.577 1.00 . A A . 6 SER OG 1 1 6 5000 1 1 7 ALA C C -1.173 -7.089 3.458 1.00 . A A . 7 ALA C 1 1 6 5001 1 1 7 ALA CA C -1.024 -6.621 4.905 1.00 . A A . 7 ALA CA 1 1 6 5002 1 1 7 ALA CB C 0.324 -5.882 5.074 1.00 . A A . 7 ALA CB 1 1 6 5003 1 1 7 ALA H H -0.256 -7.983 6.299 1.00 . A A . 7 ALA H 1 1 6 5004 1 1 7 ALA HA H -1.839 -5.939 5.104 1.00 . A A . 7 ALA HA 1 1 6 5005 1 1 7 ALA HB1 H 1.165 -6.557 4.796 1.00 . A A . 7 ALA HB1 1 1 6 5006 1 1 7 ALA HB2 H 0.468 -5.579 6.130 1.00 . A A . 7 ALA HB2 1 1 6 5007 1 1 7 ALA HB3 H 0.374 -4.975 4.436 1.00 . A A . 7 ALA HB3 1 1 6 5008 1 1 7 ALA N N -1.109 -7.718 5.833 1.00 . A A . 7 ALA N 1 1 6 5009 1 1 7 ALA O O -0.917 -8.240 3.103 1.00 . A A . 7 ALA O 1 1 6 5010 1 1 8 CYS C C -0.936 -5.330 0.444 1.00 . A A . 8 CYS C 1 1 6 5011 1 1 8 CYS CA C -1.724 -6.394 1.168 1.00 . A A . 8 CYS CA 1 1 6 5012 1 1 8 CYS CB C -3.188 -6.286 0.692 1.00 . A A . 8 CYS CB 1 1 6 5013 1 1 8 CYS H H -1.856 -5.266 2.946 1.00 . A A . 8 CYS H 1 1 6 5014 1 1 8 CYS HA H -1.330 -7.356 0.879 1.00 . A A . 8 CYS HA 1 1 6 5015 1 1 8 CYS HB2 H -3.640 -5.359 1.094 1.00 . A A . 8 CYS HB2 1 1 6 5016 1 1 8 CYS HB3 H -3.216 -6.220 -0.414 1.00 . A A . 8 CYS HB3 1 1 6 5017 1 1 8 CYS N N -1.612 -6.170 2.593 1.00 . A A . 8 CYS N 1 1 6 5018 1 1 8 CYS O O -0.851 -4.188 0.900 1.00 . A A . 8 CYS O 1 1 6 5019 1 1 8 CYS SG S -4.186 -7.716 1.176 1.00 . A A . 8 CYS SG 1 1 6 5020 1 1 9 CYS C C -0.002 -5.073 -3.039 1.00 . A A . 9 CYS C 1 1 6 5021 1 1 9 CYS CA C 0.197 -4.627 -1.595 1.00 . A A . 9 CYS CA 1 1 6 5022 1 1 9 CYS CB C 1.696 -4.452 -1.280 1.00 . A A . 9 CYS CB 1 1 6 5023 1 1 9 CYS H H -0.251 -6.595 -1.045 1.00 . A A . 9 CYS H 1 1 6 5024 1 1 9 CYS HA H -0.312 -3.686 -1.454 1.00 . A A . 9 CYS HA 1 1 6 5025 1 1 9 CYS HB2 H 1.800 -4.424 -0.173 1.00 . A A . 9 CYS HB2 1 1 6 5026 1 1 9 CYS HB3 H 2.241 -5.358 -1.628 1.00 . A A . 9 CYS HB3 1 1 6 5027 1 1 9 CYS N N -0.364 -5.640 -0.730 1.00 . A A . 9 CYS N 1 1 6 5028 1 1 9 CYS O O 0.800 -5.825 -3.580 1.00 . A A . 9 CYS O 1 1 6 5029 1 1 9 CYS SG S 2.443 -2.939 -1.955 1.00 . A A . 9 CYS SG 1 1 6 5030 1 1 10 ASP C C -0.562 -4.136 -6.044 1.00 . A A . 10 ASP C 1 1 6 5031 1 1 10 ASP CA C -1.340 -5.035 -5.101 1.00 . A A . 10 ASP CA 1 1 6 5032 1 1 10 ASP CB C -2.858 -5.097 -5.462 1.00 . A A . 10 ASP CB 1 1 6 5033 1 1 10 ASP CG C -3.761 -4.122 -4.728 1.00 . A A . 10 ASP CG 1 1 6 5034 1 1 10 ASP H H -1.783 -4.067 -3.312 1.00 . A A . 10 ASP H 1 1 6 5035 1 1 10 ASP HA H -0.934 -6.022 -5.284 1.00 . A A . 10 ASP HA 1 1 6 5036 1 1 10 ASP HB2 H -3.015 -5.006 -6.547 1.00 . A A . 10 ASP HB2 1 1 6 5037 1 1 10 ASP HB3 H -3.227 -6.099 -5.211 1.00 . A A . 10 ASP HB3 1 1 6 5038 1 1 10 ASP HD2 H -4.904 -2.615 -5.074 1.00 . A A . 10 ASP HD2 1 1 6 5039 1 1 10 ASP N N -1.098 -4.663 -3.714 1.00 . A A . 10 ASP N 1 1 6 5040 1 1 10 ASP O O 0.485 -4.498 -6.572 1.00 . A A . 10 ASP O 1 1 6 5041 1 1 10 ASP OD1 O -4.080 -4.194 -3.555 1.00 . A A . 10 ASP OD1 1 1 6 5042 1 1 10 ASP OD2 O -4.188 -3.098 -5.518 1.00 . A A . 10 ASP OD2 1 1 6 5043 1 1 11 THR C C 0.741 -1.273 -6.130 1.00 . A A . 11 THR C 1 1 6 5044 1 1 11 THR CA C -0.329 -1.892 -6.995 1.00 . A A . 11 THR CA 1 1 6 5045 1 1 11 THR CB C -1.248 -0.788 -7.481 1.00 . A A . 11 THR CB 1 1 6 5046 1 1 11 THR CG2 C -0.588 0.083 -8.550 1.00 . A A . 11 THR CG2 1 1 6 5047 1 1 11 THR H H -1.955 -2.664 -5.928 1.00 . A A . 11 THR H 1 1 6 5048 1 1 11 THR HA H 0.153 -2.358 -7.840 1.00 . A A . 11 THR HA 1 1 6 5049 1 1 11 THR HB H -1.579 -0.161 -6.620 1.00 . A A . 11 THR HB 1 1 6 5050 1 1 11 THR HG1 H -2.999 -0.638 -8.300 1.00 . A A . 11 THR HG1 1 1 6 5051 1 1 11 THR HG21 H -0.434 -0.490 -9.485 1.00 . A A . 11 THR HG21 1 1 6 5052 1 1 11 THR HG22 H 0.399 0.468 -8.227 1.00 . A A . 11 THR HG22 1 1 6 5053 1 1 11 THR HG23 H -1.236 0.956 -8.785 1.00 . A A . 11 THR HG23 1 1 6 5054 1 1 11 THR N N -1.041 -2.904 -6.232 1.00 . A A . 11 THR N 1 1 6 5055 1 1 11 THR O O 0.498 -0.859 -4.991 1.00 . A A . 11 THR O 1 1 6 5056 1 1 11 THR OG1 O -2.382 -1.378 -8.098 1.00 . A A . 11 THR OG1 1 1 6 5057 1 1 12 CYS C C 4.217 -0.428 -6.793 1.00 . A A . 12 CYS C 1 1 6 5058 1 1 12 CYS CA C 3.153 -0.966 -5.880 1.00 . A A . 12 CYS CA 1 1 6 5059 1 1 12 CYS CB C 3.663 -2.279 -5.235 1.00 . A A . 12 CYS CB 1 1 6 5060 1 1 12 CYS H H 2.152 -1.568 -7.571 1.00 . A A . 12 CYS H 1 1 6 5061 1 1 12 CYS HA H 2.964 -0.218 -5.133 1.00 . A A . 12 CYS HA 1 1 6 5062 1 1 12 CYS HB2 H 2.781 -2.743 -4.731 1.00 . A A . 12 CYS HB2 1 1 6 5063 1 1 12 CYS HB3 H 3.980 -2.961 -6.061 1.00 . A A . 12 CYS HB3 1 1 6 5064 1 1 12 CYS N N 1.969 -1.213 -6.655 1.00 . A A . 12 CYS N 1 1 6 5065 1 1 12 CYS O O 4.220 -0.651 -8.001 1.00 . A A . 12 CYS O 1 1 6 5066 1 1 12 CYS SG S 5.010 -2.057 -4.016 1.00 . A A . 12 CYS SG 1 1 6 5067 1 1 13 LEU C C 7.278 1.358 -6.121 1.00 . A A . 13 LEU C 1 1 6 5068 1 1 13 LEU CA C 6.067 1.113 -6.983 1.00 . A A . 13 LEU CA 1 1 6 5069 1 1 13 LEU CB C 5.373 2.430 -7.407 1.00 . A A . 13 LEU CB 1 1 6 5070 1 1 13 LEU CD1 C 5.278 3.831 -9.500 1.00 . A A . 13 LEU CD1 1 1 6 5071 1 1 13 LEU CD2 C 6.857 4.516 -7.656 1.00 . A A . 13 LEU CD2 1 1 6 5072 1 1 13 LEU CG C 6.176 3.334 -8.362 1.00 . A A . 13 LEU CG 1 1 6 5073 1 1 13 LEU H H 5.063 0.600 -5.245 1.00 . A A . 13 LEU H 1 1 6 5074 1 1 13 LEU HA H 6.402 0.560 -7.849 1.00 . A A . 13 LEU HA 1 1 6 5075 1 1 13 LEU HB2 H 4.462 2.113 -7.958 1.00 . A A . 13 LEU HB2 1 1 6 5076 1 1 13 LEU HB3 H 5.000 2.983 -6.518 1.00 . A A . 13 LEU HB3 1 1 6 5077 1 1 13 LEU HD11 H 4.472 4.487 -9.110 1.00 . A A . 13 LEU HD11 1 1 6 5078 1 1 13 LEU HD12 H 4.811 2.970 -10.026 1.00 . A A . 13 LEU HD12 1 1 6 5079 1 1 13 LEU HD13 H 5.876 4.404 -10.238 1.00 . A A . 13 LEU HD13 1 1 6 5080 1 1 13 LEU HD21 H 6.091 5.191 -7.219 1.00 . A A . 13 LEU HD21 1 1 6 5081 1 1 13 LEU HD22 H 7.456 5.096 -8.392 1.00 . A A . 13 LEU HD22 1 1 6 5082 1 1 13 LEU HD23 H 7.533 4.164 -6.851 1.00 . A A . 13 LEU HD23 1 1 6 5083 1 1 13 LEU HG H 6.968 2.712 -8.837 1.00 . A A . 13 LEU HG 1 1 6 5084 1 1 13 LEU N N 5.135 0.348 -6.217 1.00 . A A . 13 LEU N 1 1 6 5085 1 1 13 LEU O O 7.214 1.401 -4.890 1.00 . A A . 13 LEU O 1 1 6 5086 1 1 14 CYS C C 10.600 2.434 -6.913 1.00 . A A . 14 CYS C 1 1 6 5087 1 1 14 CYS CA C 9.716 1.503 -6.141 1.00 . A A . 14 CYS CA 1 1 6 5088 1 1 14 CYS CB C 10.366 0.095 -6.157 1.00 . A A . 14 CYS CB 1 1 6 5089 1 1 14 CYS H H 8.449 1.412 -7.770 1.00 . A A . 14 CYS H 1 1 6 5090 1 1 14 CYS HA H 9.630 1.911 -5.155 1.00 . A A . 14 CYS HA 1 1 6 5091 1 1 14 CYS HB2 H 9.641 -0.607 -6.615 1.00 . A A . 14 CYS HB2 1 1 6 5092 1 1 14 CYS HB3 H 11.252 0.079 -6.824 1.00 . A A . 14 CYS HB3 1 1 6 5093 1 1 14 CYS N N 8.433 1.491 -6.777 1.00 . A A . 14 CYS N 1 1 6 5094 1 1 14 CYS O O 10.505 2.571 -8.134 1.00 . A A . 14 CYS O 1 1 6 5095 1 1 14 CYS SG S 10.863 -0.546 -4.533 1.00 . A A . 14 CYS SG 1 1 6 5096 1 1 15 THR C C 13.531 3.565 -7.537 1.00 . A A . 15 THR C 1 1 6 5097 1 1 15 THR CA C 12.339 4.141 -6.805 1.00 . A A . 15 THR CA 1 1 6 5098 1 1 15 THR CB C 12.850 5.183 -5.816 1.00 . A A . 15 THR CB 1 1 6 5099 1 1 15 THR CG2 C 11.643 5.944 -5.250 1.00 . A A . 15 THR CG2 1 1 6 5100 1 1 15 THR H H 11.548 2.975 -5.203 1.00 . A A . 15 THR H 1 1 6 5101 1 1 15 THR HA H 11.766 4.687 -7.537 1.00 . A A . 15 THR HA 1 1 6 5102 1 1 15 THR HB H 13.522 5.901 -6.347 1.00 . A A . 15 THR HB 1 1 6 5103 1 1 15 THR HG1 H 13.229 5.066 -3.920 1.00 . A A . 15 THR HG1 1 1 6 5104 1 1 15 THR HG21 H 10.992 5.284 -4.639 1.00 . A A . 15 THR HG21 1 1 6 5105 1 1 15 THR HG22 H 11.033 6.350 -6.085 1.00 . A A . 15 THR HG22 1 1 6 5106 1 1 15 THR HG23 H 11.973 6.795 -4.616 1.00 . A A . 15 THR HG23 1 1 6 5107 1 1 15 THR N N 11.484 3.129 -6.198 1.00 . A A . 15 THR N 1 1 6 5108 1 1 15 THR O O 14.043 2.488 -7.241 1.00 . A A . 15 THR O 1 1 6 5109 1 1 15 THR OG1 O 13.537 4.599 -4.717 1.00 . A A . 15 THR OG1 1 1 6 5110 1 1 16 ARG C C 16.344 4.799 -8.150 1.00 . A A . 16 ARG C 1 1 6 5111 1 1 16 ARG CA C 15.361 4.094 -9.063 1.00 . A A . 16 ARG CA 1 1 6 5112 1 1 16 ARG CB C 15.539 4.628 -10.494 1.00 . A A . 16 ARG CB 1 1 6 5113 1 1 16 ARG CD C 15.015 4.356 -12.961 1.00 . A A . 16 ARG CD 1 1 6 5114 1 1 16 ARG CG C 14.739 3.851 -11.540 1.00 . A A . 16 ARG CG 1 1 6 5115 1 1 16 ARG CZ C 12.772 4.090 -14.061 1.00 . A A . 16 ARG CZ 1 1 6 5116 1 1 16 ARG H H 13.554 5.108 -8.865 1.00 . A A . 16 ARG H 1 1 6 5117 1 1 16 ARG HA H 15.574 3.039 -9.073 1.00 . A A . 16 ARG HA 1 1 6 5118 1 1 16 ARG HB2 H 15.250 5.698 -10.537 1.00 . A A . 16 ARG HB2 1 1 6 5119 1 1 16 ARG HB3 H 16.610 4.546 -10.783 1.00 . A A . 16 ARG HB3 1 1 6 5120 1 1 16 ARG HD2 H 14.886 5.455 -13.038 1.00 . A A . 16 ARG HD2 1 1 6 5121 1 1 16 ARG HD3 H 16.046 4.089 -13.275 1.00 . A A . 16 ARG HD3 1 1 6 5122 1 1 16 ARG HE H 14.353 2.824 -14.326 1.00 . A A . 16 ARG HE 1 1 6 5123 1 1 16 ARG HG2 H 15.014 2.777 -11.474 1.00 . A A . 16 ARG HG2 1 1 6 5124 1 1 16 ARG HG3 H 13.658 3.947 -11.302 1.00 . A A . 16 ARG HG3 1 1 6 5125 1 1 16 ARG HH11 H 12.963 5.839 -13.007 1.00 . A A . 16 ARG HH11 1 1 6 5126 1 1 16 ARG HH12 H 11.390 5.558 -13.690 1.00 . A A . 16 ARG HH12 1 1 6 5127 1 1 16 ARG HH21 H 12.251 2.470 -15.201 1.00 . A A . 16 ARG HH21 1 1 6 5128 1 1 16 ARG HH22 H 10.975 3.616 -14.935 1.00 . A A . 16 ARG HH22 1 1 6 5129 1 1 16 ARG N N 14.037 4.302 -8.536 1.00 . A A . 16 ARG N 1 1 6 5130 1 1 16 ARG NE N 14.063 3.675 -13.890 1.00 . A A . 16 ARG NE 1 1 6 5131 1 1 16 ARG NH1 N 12.326 5.255 -13.511 1.00 . A A . 16 ARG NH1 1 1 6 5132 1 1 16 ARG NH2 N 11.921 3.324 -14.801 1.00 . A A . 16 ARG NH2 1 1 6 5133 1 1 16 ARG O O 16.424 6.027 -8.110 1.00 . A A . 16 ARG O 1 1 6 5134 1 1 17 SER C C 18.652 3.398 -5.671 1.00 . A A . 17 SER C 1 1 6 5135 1 1 17 SER CA C 17.874 4.542 -6.268 1.00 . A A . 17 SER CA 1 1 6 5136 1 1 17 SER CB C 17.003 5.207 -5.157 1.00 . A A . 17 SER CB 1 1 6 5137 1 1 17 SER H H 17.034 3.034 -7.425 1.00 . A A . 17 SER H 1 1 6 5138 1 1 17 SER HA H 18.583 5.254 -6.656 1.00 . A A . 17 SER HA 1 1 6 5139 1 1 17 SER HB2 H 16.235 5.849 -5.641 1.00 . A A . 17 SER HB2 1 1 6 5140 1 1 17 SER HB3 H 16.454 4.433 -4.574 1.00 . A A . 17 SER HB3 1 1 6 5141 1 1 17 SER HG H 17.147 6.505 -3.702 1.00 . A A . 17 SER HG 1 1 6 5142 1 1 17 SER N N 17.098 4.024 -7.366 1.00 . A A . 17 SER N 1 1 6 5143 1 1 17 SER O O 18.880 2.371 -6.308 1.00 . A A . 17 SER O 1 1 6 5144 1 1 17 SER OG O 17.788 6.046 -4.298 1.00 . A A . 17 SER OG 1 1 6 5145 1 1 18 GLN C C 19.923 2.832 -2.300 1.00 . A A . 18 GLN C 1 1 6 5146 1 1 18 GLN CA C 20.083 2.716 -3.813 1.00 . A A . 18 GLN CA 1 1 6 5147 1 1 18 GLN CB C 21.482 3.220 -4.224 1.00 . A A . 18 GLN CB 1 1 6 5148 1 1 18 GLN CD C 23.969 3.070 -4.047 1.00 . A A . 18 GLN CD 1 1 6 5149 1 1 18 GLN CG C 22.657 2.435 -3.614 1.00 . A A . 18 GLN CG 1 1 6 5150 1 1 18 GLN H H 18.891 4.428 -3.984 1.00 . A A . 18 GLN H 1 1 6 5151 1 1 18 GLN HA H 19.951 1.694 -4.130 1.00 . A A . 18 GLN HA 1 1 6 5152 1 1 18 GLN HB2 H 21.540 3.173 -5.335 1.00 . A A . 18 GLN HB2 1 1 6 5153 1 1 18 GLN HB3 H 21.557 4.297 -3.950 1.00 . A A . 18 GLN HB3 1 1 6 5154 1 1 18 GLN HE21 H 23.893 2.156 -5.854 1.00 . A A . 18 GLN HE21 1 1 6 5155 1 1 18 GLN HE22 H 25.294 3.172 -5.563 1.00 . A A . 18 GLN HE22 1 1 6 5156 1 1 18 GLN HG2 H 22.621 2.477 -2.504 1.00 . A A . 18 GLN HG2 1 1 6 5157 1 1 18 GLN HG3 H 22.631 1.371 -3.927 1.00 . A A . 18 GLN HG3 1 1 6 5158 1 1 18 GLN N N 19.113 3.565 -4.438 1.00 . A A . 18 GLN N 1 1 6 5159 1 1 18 GLN NE2 N 24.467 2.708 -5.244 1.00 . A A . 18 GLN NE2 1 1 6 5160 1 1 18 GLN O O 20.280 3.866 -1.726 1.00 . A A . 18 GLN O 1 1 6 5161 1 1 18 GLN OE1 O 24.524 3.924 -3.349 1.00 . A A . 18 GLN OE1 1 1 6 5162 1 1 19 PRO C C 17.188 1.375 -2.640 1.00 . A A . 19 PRO C 1 1 6 5163 1 1 19 PRO CA C 18.512 0.793 -2.143 1.00 . A A . 19 PRO CA 1 1 6 5164 1 1 19 PRO CB C 18.314 -0.127 -0.926 1.00 . A A . 19 PRO CB 1 1 6 5165 1 1 19 PRO CD C 19.355 1.879 -0.136 1.00 . A A . 19 PRO CD 1 1 6 5166 1 1 19 PRO CG C 18.319 0.830 0.265 1.00 . A A . 19 PRO CG 1 1 6 5167 1 1 19 PRO HA H 18.999 0.292 -2.964 1.00 . A A . 19 PRO HA 1 1 6 5168 1 1 19 PRO HB2 H 17.379 -0.728 -0.988 1.00 . A A . 19 PRO HB2 1 1 6 5169 1 1 19 PRO HB3 H 19.203 -0.798 -0.850 1.00 . A A . 19 PRO HB3 1 1 6 5170 1 1 19 PRO HD2 H 19.062 2.884 0.244 1.00 . A A . 19 PRO HD2 1 1 6 5171 1 1 19 PRO HD3 H 20.363 1.609 0.249 1.00 . A A . 19 PRO HD3 1 1 6 5172 1 1 19 PRO HG2 H 17.324 1.322 0.344 1.00 . A A . 19 PRO HG2 1 1 6 5173 1 1 19 PRO HG3 H 18.559 0.337 1.226 1.00 . A A . 19 PRO HG3 1 1 6 5174 1 1 19 PRO N N 19.379 1.841 -1.602 1.00 . A A . 19 PRO N 1 1 6 5175 1 1 19 PRO O O 16.872 2.505 -2.261 1.00 . A A . 19 PRO O 1 1 6 5176 1 1 20 PRO C C 14.109 1.271 -2.787 1.00 . A A . 20 PRO C 1 1 6 5177 1 1 20 PRO CA C 15.116 1.233 -3.922 1.00 . A A . 20 PRO CA 1 1 6 5178 1 1 20 PRO CB C 14.715 0.267 -5.046 1.00 . A A . 20 PRO CB 1 1 6 5179 1 1 20 PRO CD C 16.724 -0.580 -4.078 1.00 . A A . 20 PRO CD 1 1 6 5180 1 1 20 PRO CG C 15.411 -1.047 -4.699 1.00 . A A . 20 PRO CG 1 1 6 5181 1 1 20 PRO HA H 15.220 2.241 -4.294 1.00 . A A . 20 PRO HA 1 1 6 5182 1 1 20 PRO HB2 H 13.618 0.168 -5.165 1.00 . A A . 20 PRO HB2 1 1 6 5183 1 1 20 PRO HB3 H 15.143 0.651 -5.999 1.00 . A A . 20 PRO HB3 1 1 6 5184 1 1 20 PRO HD2 H 17.086 -1.309 -3.319 1.00 . A A . 20 PRO HD2 1 1 6 5185 1 1 20 PRO HD3 H 17.489 -0.424 -4.871 1.00 . A A . 20 PRO HD3 1 1 6 5186 1 1 20 PRO HG2 H 14.813 -1.590 -3.937 1.00 . A A . 20 PRO HG2 1 1 6 5187 1 1 20 PRO HG3 H 15.563 -1.691 -5.588 1.00 . A A . 20 PRO HG3 1 1 6 5188 1 1 20 PRO N N 16.402 0.714 -3.474 1.00 . A A . 20 PRO N 1 1 6 5189 1 1 20 PRO O O 13.819 0.252 -2.160 1.00 . A A . 20 PRO O 1 1 6 5190 1 1 21 THR C C 11.191 2.349 -2.164 1.00 . A A . 21 THR C 1 1 6 5191 1 1 21 THR CA C 12.505 2.683 -1.525 1.00 . A A . 21 THR CA 1 1 6 5192 1 1 21 THR CB C 12.425 4.112 -1.004 1.00 . A A . 21 THR CB 1 1 6 5193 1 1 21 THR CG2 C 13.408 4.248 0.158 1.00 . A A . 21 THR CG2 1 1 6 5194 1 1 21 THR H H 13.824 3.251 -3.038 1.00 . A A . 21 THR H 1 1 6 5195 1 1 21 THR HA H 12.611 2.010 -0.688 1.00 . A A . 21 THR HA 1 1 6 5196 1 1 21 THR HB H 11.405 4.354 -0.635 1.00 . A A . 21 THR HB 1 1 6 5197 1 1 21 THR HG1 H 12.648 5.929 -1.557 1.00 . A A . 21 THR HG1 1 1 6 5198 1 1 21 THR HG21 H 14.448 4.059 -0.187 1.00 . A A . 21 THR HG21 1 1 6 5199 1 1 21 THR HG22 H 13.156 3.513 0.955 1.00 . A A . 21 THR HG22 1 1 6 5200 1 1 21 THR HG23 H 13.359 5.265 0.600 1.00 . A A . 21 THR HG23 1 1 6 5201 1 1 21 THR N N 13.575 2.457 -2.487 1.00 . A A . 21 THR N 1 1 6 5202 1 1 21 THR O O 11.037 2.465 -3.378 1.00 . A A . 21 THR O 1 1 6 5203 1 1 21 THR OG1 O 12.788 5.069 -1.992 1.00 . A A . 21 THR OG1 1 1 6 5204 1 1 22 CYS C C 7.795 1.555 -1.199 1.00 . A A . 22 CYS C 1 1 6 5205 1 1 22 CYS CA C 9.049 1.249 -1.966 1.00 . A A . 22 CYS CA 1 1 6 5206 1 1 22 CYS CB C 9.223 -0.295 -2.005 1.00 . A A . 22 CYS CB 1 1 6 5207 1 1 22 CYS H H 10.294 1.873 -0.369 1.00 . A A . 22 CYS H 1 1 6 5208 1 1 22 CYS HA H 8.868 1.628 -2.960 1.00 . A A . 22 CYS HA 1 1 6 5209 1 1 22 CYS HB2 H 10.213 -0.543 -1.580 1.00 . A A . 22 CYS HB2 1 1 6 5210 1 1 22 CYS HB3 H 8.490 -0.800 -1.345 1.00 . A A . 22 CYS HB3 1 1 6 5211 1 1 22 CYS N N 10.199 1.903 -1.374 1.00 . A A . 22 CYS N 1 1 6 5212 1 1 22 CYS O O 7.790 1.958 -0.032 1.00 . A A . 22 CYS O 1 1 6 5213 1 1 22 CYS SG S 9.119 -1.057 -3.646 1.00 . A A . 22 CYS SG 1 1 6 5214 1 1 23 ARG C C 4.326 1.482 -2.357 1.00 . A A . 23 ARG C 1 1 6 5215 1 1 23 ARG CA C 5.454 2.043 -1.524 1.00 . A A . 23 ARG CA 1 1 6 5216 1 1 23 ARG CB C 5.622 3.546 -1.861 1.00 . A A . 23 ARG CB 1 1 6 5217 1 1 23 ARG CD C 4.802 5.934 -1.805 1.00 . A A . 23 ARG CD 1 1 6 5218 1 1 23 ARG CG C 4.530 4.495 -1.353 1.00 . A A . 23 ARG CG 1 1 6 5219 1 1 23 ARG CZ C 3.442 8.053 -1.787 1.00 . A A . 23 ARG CZ 1 1 6 5220 1 1 23 ARG H H 6.698 0.975 -2.797 1.00 . A A . 23 ARG H 1 1 6 5221 1 1 23 ARG HA H 5.228 1.902 -0.483 1.00 . A A . 23 ARG HA 1 1 6 5222 1 1 23 ARG HB2 H 6.580 3.893 -1.428 1.00 . A A . 23 ARG HB2 1 1 6 5223 1 1 23 ARG HB3 H 5.704 3.664 -2.962 1.00 . A A . 23 ARG HB3 1 1 6 5224 1 1 23 ARG HD2 H 5.753 6.313 -1.379 1.00 . A A . 23 ARG HD2 1 1 6 5225 1 1 23 ARG HD3 H 4.823 5.963 -2.915 1.00 . A A . 23 ARG HD3 1 1 6 5226 1 1 23 ARG HE H 3.087 6.439 -0.600 1.00 . A A . 23 ARG HE 1 1 6 5227 1 1 23 ARG HG2 H 3.551 4.187 -1.778 1.00 . A A . 23 ARG HG2 1 1 6 5228 1 1 23 ARG HG3 H 4.470 4.460 -0.242 1.00 . A A . 23 ARG HG3 1 1 6 5229 1 1 23 ARG HH11 H 5.020 8.125 -3.095 1.00 . A A . 23 ARG HH11 1 1 6 5230 1 1 23 ARG HH12 H 4.053 9.553 -3.065 1.00 . A A . 23 ARG HH12 1 1 6 5231 1 1 23 ARG HH21 H 1.783 8.223 -0.635 1.00 . A A . 23 ARG HH21 1 1 6 5232 1 1 23 ARG HH22 H 2.119 9.627 -1.607 1.00 . A A . 23 ARG HH22 1 1 6 5233 1 1 23 ARG N N 6.656 1.333 -1.862 1.00 . A A . 23 ARG N 1 1 6 5234 1 1 23 ARG NE N 3.687 6.795 -1.316 1.00 . A A . 23 ARG NE 1 1 6 5235 1 1 23 ARG NH1 N 4.242 8.633 -2.726 1.00 . A A . 23 ARG NH1 1 1 6 5236 1 1 23 ARG NH2 N 2.358 8.711 -1.289 1.00 . A A . 23 ARG NH2 1 1 6 5237 1 1 23 ARG O O 4.408 1.308 -3.571 1.00 . A A . 23 ARG O 1 1 6 5238 1 1 24 CYS C C 1.213 1.959 -2.634 1.00 . A A . 24 CYS C 1 1 6 5239 1 1 24 CYS CA C 1.993 0.703 -2.305 1.00 . A A . 24 CYS CA 1 1 6 5240 1 1 24 CYS CB C 1.147 -0.202 -1.359 1.00 . A A . 24 CYS CB 1 1 6 5241 1 1 24 CYS H H 3.213 1.246 -0.696 1.00 . A A . 24 CYS H 1 1 6 5242 1 1 24 CYS HA H 2.191 0.188 -3.233 1.00 . A A . 24 CYS HA 1 1 6 5243 1 1 24 CYS HB2 H 0.732 0.438 -0.550 1.00 . A A . 24 CYS HB2 1 1 6 5244 1 1 24 CYS HB3 H 0.293 -0.645 -1.916 1.00 . A A . 24 CYS HB3 1 1 6 5245 1 1 24 CYS N N 3.228 1.124 -1.680 1.00 . A A . 24 CYS N 1 1 6 5246 1 1 24 CYS O O 1.443 3.008 -2.040 1.00 . A A . 24 CYS O 1 1 6 5247 1 1 24 CYS SG S 2.117 -1.515 -0.546 1.00 . A A . 24 CYS SG 1 1 6 5248 1 1 25 VAL C C -1.428 2.572 -5.088 1.00 . A A . 25 VAL C 1 1 6 5249 1 1 25 VAL CA C -0.199 3.041 -4.312 1.00 . A A . 25 VAL CA 1 1 6 5250 1 1 25 VAL CB C 0.851 3.458 -5.375 1.00 . A A . 25 VAL CB 1 1 6 5251 1 1 25 VAL CG1 C 2.131 4.103 -4.805 1.00 . A A . 25 VAL CG1 1 1 6 5252 1 1 25 VAL CG2 C 1.287 2.246 -6.212 1.00 . A A . 25 VAL CG2 1 1 6 5253 1 1 25 VAL H H 0.150 1.038 -4.011 1.00 . A A . 25 VAL H 1 1 6 5254 1 1 25 VAL HA H -0.474 3.867 -3.677 1.00 . A A . 25 VAL HA 1 1 6 5255 1 1 25 VAL HB H 0.382 4.214 -6.050 1.00 . A A . 25 VAL HB 1 1 6 5256 1 1 25 VAL HG11 H 2.756 4.496 -5.640 1.00 . A A . 25 VAL HG11 1 1 6 5257 1 1 25 VAL HG12 H 2.753 3.343 -4.286 1.00 . A A . 25 VAL HG12 1 1 6 5258 1 1 25 VAL HG13 H 1.894 4.932 -4.103 1.00 . A A . 25 VAL HG13 1 1 6 5259 1 1 25 VAL HG21 H 2.055 2.550 -6.956 1.00 . A A . 25 VAL HG21 1 1 6 5260 1 1 25 VAL HG22 H 0.430 1.810 -6.757 1.00 . A A . 25 VAL HG22 1 1 6 5261 1 1 25 VAL HG23 H 1.719 1.473 -5.550 1.00 . A A . 25 VAL HG23 1 1 6 5262 1 1 25 VAL N N 0.197 1.894 -3.499 1.00 . A A . 25 VAL N 1 1 6 5263 1 1 25 VAL O O -1.730 2.889 -6.234 1.00 . A A . 25 VAL O 1 1 6 5264 1 1 26 ASP C C -4.184 2.176 -3.130 1.00 . A A . 26 ASP C 1 1 6 5265 1 1 26 ASP CA C -3.675 1.695 -4.473 1.00 . A A . 26 ASP CA 1 1 6 5266 1 1 26 ASP CB C -4.015 0.217 -4.770 1.00 . A A . 26 ASP CB 1 1 6 5267 1 1 26 ASP CG C -5.485 -0.153 -4.758 1.00 . A A . 26 ASP CG 1 1 6 5268 1 1 26 ASP H H -1.947 1.597 -3.411 1.00 . A A . 26 ASP H 1 1 6 5269 1 1 26 ASP HA H -4.057 2.359 -5.236 1.00 . A A . 26 ASP HA 1 1 6 5270 1 1 26 ASP HB2 H -3.632 -0.026 -5.781 1.00 . A A . 26 ASP HB2 1 1 6 5271 1 1 26 ASP HB3 H -3.506 -0.428 -4.026 1.00 . A A . 26 ASP HB3 1 1 6 5272 1 1 26 ASP HD2 H -7.233 0.585 -4.941 1.00 . A A . 26 ASP HD2 1 1 6 5273 1 1 26 ASP N N -2.254 1.840 -4.325 1.00 . A A . 26 ASP N 1 1 6 5274 1 1 26 ASP O O -3.584 1.873 -2.100 1.00 . A A . 26 ASP O 1 1 6 5275 1 1 26 ASP OD1 O -5.899 -1.265 -4.509 1.00 . A A . 26 ASP OD1 1 1 6 5276 1 1 26 ASP OD2 O -6.327 0.874 -5.069 1.00 . A A . 26 ASP OD2 1 1 6 5277 1 1 27 VAL C C -6.842 2.464 -1.327 1.00 . A A . 27 VAL C 1 1 6 5278 1 1 27 VAL CA C -5.862 3.455 -1.894 1.00 . A A . 27 VAL CA 1 1 6 5279 1 1 27 VAL CB C -6.496 4.827 -2.028 1.00 . A A . 27 VAL CB 1 1 6 5280 1 1 27 VAL CG1 C -5.522 5.742 -2.780 1.00 . A A . 27 VAL CG1 1 1 6 5281 1 1 27 VAL CG2 C -7.860 4.783 -2.731 1.00 . A A . 27 VAL CG2 1 1 6 5282 1 1 27 VAL H H -5.710 3.226 -3.964 1.00 . A A . 27 VAL H 1 1 6 5283 1 1 27 VAL HA H -5.086 3.568 -1.151 1.00 . A A . 27 VAL HA 1 1 6 5284 1 1 27 VAL HB H -6.631 5.232 -1.002 1.00 . A A . 27 VAL HB 1 1 6 5285 1 1 27 VAL HG11 H -5.818 6.806 -2.663 1.00 . A A . 27 VAL HG11 1 1 6 5286 1 1 27 VAL HG12 H -5.501 5.498 -3.862 1.00 . A A . 27 VAL HG12 1 1 6 5287 1 1 27 VAL HG13 H -4.501 5.610 -2.369 1.00 . A A . 27 VAL HG13 1 1 6 5288 1 1 27 VAL HG21 H -7.794 4.188 -3.664 1.00 . A A . 27 VAL HG21 1 1 6 5289 1 1 27 VAL HG22 H -8.173 5.815 -2.985 1.00 . A A . 27 VAL HG22 1 1 6 5290 1 1 27 VAL HG23 H -8.623 4.333 -2.059 1.00 . A A . 27 VAL HG23 1 1 6 5291 1 1 27 VAL N N -5.265 2.964 -3.116 1.00 . A A . 27 VAL N 1 1 6 5292 1 1 27 VAL O O -7.571 1.780 -2.043 1.00 . A A . 27 VAL O 1 1 6 5293 1 1 28 ARG C C -8.589 2.033 1.618 1.00 . A A . 28 ARG C 1 1 6 5294 1 1 28 ARG CA C -7.650 1.337 0.670 1.00 . A A . 28 ARG CA 1 1 6 5295 1 1 28 ARG CB C -6.797 0.333 1.479 1.00 . A A . 28 ARG CB 1 1 6 5296 1 1 28 ARG CD C -5.123 -0.325 -0.368 1.00 . A A . 28 ARG CD 1 1 6 5297 1 1 28 ARG CG C -6.158 -0.798 0.655 1.00 . A A . 28 ARG CG 1 1 6 5298 1 1 28 ARG CZ C -3.367 -2.110 -0.477 1.00 . A A . 28 ARG CZ 1 1 6 5299 1 1 28 ARG H H -6.202 2.875 0.555 1.00 . A A . 28 ARG H 1 1 6 5300 1 1 28 ARG HA H -8.266 0.798 -0.033 1.00 . A A . 28 ARG HA 1 1 6 5301 1 1 28 ARG HB2 H -6.008 0.909 2.006 1.00 . A A . 28 ARG HB2 1 1 6 5302 1 1 28 ARG HB3 H -7.431 -0.176 2.239 1.00 . A A . 28 ARG HB3 1 1 6 5303 1 1 28 ARG HD2 H -5.624 0.217 -1.190 1.00 . A A . 28 ARG HD2 1 1 6 5304 1 1 28 ARG HD3 H -4.368 0.345 0.097 1.00 . A A . 28 ARG HD3 1 1 6 5305 1 1 28 ARG HE H -4.903 -1.904 -1.810 1.00 . A A . 28 ARG HE 1 1 6 5306 1 1 28 ARG HG2 H -5.672 -1.493 1.376 1.00 . A A . 28 ARG HG2 1 1 6 5307 1 1 28 ARG HG3 H -6.963 -1.354 0.122 1.00 . A A . 28 ARG HG3 1 1 6 5308 1 1 28 ARG HH11 H -3.085 -0.792 1.068 1.00 . A A . 28 ARG HH11 1 1 6 5309 1 1 28 ARG HH12 H -1.929 -2.085 0.991 1.00 . A A . 28 ARG HH12 1 1 6 5310 1 1 28 ARG HH21 H -3.391 -3.618 -1.862 1.00 . A A . 28 ARG HH21 1 1 6 5311 1 1 28 ARG HH22 H -2.109 -3.705 -0.683 1.00 . A A . 28 ARG HH22 1 1 6 5312 1 1 28 ARG N N -6.828 2.323 0.003 1.00 . A A . 28 ARG N 1 1 6 5313 1 1 28 ARG NE N -4.475 -1.509 -0.997 1.00 . A A . 28 ARG NE 1 1 6 5314 1 1 28 ARG NH1 N -2.733 -1.618 0.625 1.00 . A A . 28 ARG NH1 1 1 6 5315 1 1 28 ARG NH2 N -2.900 -3.238 -1.076 1.00 . A A . 28 ARG NH2 1 1 6 5316 1 1 28 ARG O O -8.400 3.192 1.973 1.00 . A A . 28 ARG O 1 1 6 5317 1 1 29 GLU C C -9.945 2.070 4.449 1.00 . A A . 29 GLU C 1 1 6 5318 1 1 29 GLU CA C -10.548 1.649 3.126 1.00 . A A . 29 GLU CA 1 1 6 5319 1 1 29 GLU CB C -11.488 0.468 3.371 1.00 . A A . 29 GLU CB 1 1 6 5320 1 1 29 GLU CD C -13.356 -0.909 2.433 1.00 . A A . 29 GLU CD 1 1 6 5321 1 1 29 GLU CG C -12.571 0.374 2.282 1.00 . A A . 29 GLU CG 1 1 6 5322 1 1 29 GLU H H -9.712 0.355 1.752 1.00 . A A . 29 GLU H 1 1 6 5323 1 1 29 GLU HA H -11.113 2.497 2.779 1.00 . A A . 29 GLU HA 1 1 6 5324 1 1 29 GLU HB2 H -10.850 -0.443 3.396 1.00 . A A . 29 GLU HB2 1 1 6 5325 1 1 29 GLU HB3 H -11.984 0.552 4.363 1.00 . A A . 29 GLU HB3 1 1 6 5326 1 1 29 GLU HE2 H -14.924 -1.596 3.264 1.00 . A A . 29 GLU HE2 1 1 6 5327 1 1 29 GLU HG2 H -13.263 1.239 2.353 1.00 . A A . 29 GLU HG2 1 1 6 5328 1 1 29 GLU HG3 H -12.112 0.372 1.271 1.00 . A A . 29 GLU HG3 1 1 6 5329 1 1 29 GLU N N -9.623 1.299 2.067 1.00 . A A . 29 GLU N 1 1 6 5330 1 1 29 GLU O O -10.530 2.834 5.214 1.00 . A A . 29 GLU O 1 1 6 5331 1 1 29 GLU OE1 O -13.085 -1.964 1.893 1.00 . A A . 29 GLU OE1 1 1 6 5332 1 1 29 GLU OE2 O -14.400 -0.779 3.296 1.00 . A A . 29 GLU OE2 1 1 6 5333 1 1 30 SER C C -6.617 1.539 5.909 1.00 . A A . 30 SER C 1 1 6 5334 1 1 30 SER CA C -8.110 1.665 6.022 1.00 . A A . 30 SER CA 1 1 6 5335 1 1 30 SER CB C -8.557 0.532 6.999 1.00 . A A . 30 SER CB 1 1 6 5336 1 1 30 SER H H -8.343 0.980 4.029 1.00 . A A . 30 SER H 1 1 6 5337 1 1 30 SER HA H -8.317 2.642 6.434 1.00 . A A . 30 SER HA 1 1 6 5338 1 1 30 SER HB2 H -8.441 -0.456 6.499 1.00 . A A . 30 SER HB2 1 1 6 5339 1 1 30 SER HB3 H -7.941 0.510 7.925 1.00 . A A . 30 SER HB3 1 1 6 5340 1 1 30 SER HG H -10.108 -0.069 7.986 1.00 . A A . 30 SER HG 1 1 6 5341 1 1 30 SER N N -8.743 1.564 4.723 1.00 . A A . 30 SER N 1 1 6 5342 1 1 30 SER O O -6.046 1.229 4.861 1.00 . A A . 30 SER O 1 1 6 5343 1 1 30 SER OG O -9.914 0.692 7.407 1.00 . A A . 30 SER OG 1 1 6 5344 1 1 31 CYS C C -4.241 0.083 7.597 1.00 . A A . 31 CYS C 1 1 6 5345 1 1 31 CYS CA C -4.527 1.534 7.209 1.00 . A A . 31 CYS CA 1 1 6 5346 1 1 31 CYS CB C -4.003 2.468 8.326 1.00 . A A . 31 CYS CB 1 1 6 5347 1 1 31 CYS H H -6.438 2.050 7.869 1.00 . A A . 31 CYS H 1 1 6 5348 1 1 31 CYS HA H -4.024 1.751 6.277 1.00 . A A . 31 CYS HA 1 1 6 5349 1 1 31 CYS HB2 H -4.534 3.447 8.218 1.00 . A A . 31 CYS HB2 1 1 6 5350 1 1 31 CYS HB3 H -4.262 2.028 9.320 1.00 . A A . 31 CYS HB3 1 1 6 5351 1 1 31 CYS N N -5.939 1.762 7.041 1.00 . A A . 31 CYS N 1 1 6 5352 1 1 31 CYS O O -5.108 -0.652 8.062 1.00 . A A . 31 CYS O 1 1 6 5353 1 1 31 CYS SG S -2.222 2.801 8.263 1.00 . A A . 31 CYS SG 1 1 6 5354 1 1 32 HIS C C -1.196 -1.105 8.763 1.00 . A A . 32 HIS C 1 1 6 5355 1 1 32 HIS CA C -2.468 -1.531 8.089 1.00 . A A . 32 HIS CA 1 1 6 5356 1 1 32 HIS CB C -2.149 -2.703 7.133 1.00 . A A . 32 HIS CB 1 1 6 5357 1 1 32 HIS CD2 C -0.728 -4.544 8.375 1.00 . A A . 32 HIS CD2 1 1 6 5358 1 1 32 HIS CE1 C -2.353 -5.983 8.601 1.00 . A A . 32 HIS CE1 1 1 6 5359 1 1 32 HIS CG C -1.846 -4.018 7.810 1.00 . A A . 32 HIS CG 1 1 6 5360 1 1 32 HIS H H -2.285 0.240 7.047 1.00 . A A . 32 HIS H 1 1 6 5361 1 1 32 HIS HA H -3.151 -1.882 8.842 1.00 . A A . 32 HIS HA 1 1 6 5362 1 1 32 HIS HB2 H -3.071 -2.893 6.541 1.00 . A A . 32 HIS HB2 1 1 6 5363 1 1 32 HIS HB3 H -1.313 -2.425 6.459 1.00 . A A . 32 HIS HB3 1 1 6 5364 1 1 32 HIS HD1 H -3.782 -4.831 7.653 1.00 . A A . 32 HIS HD1 1 1 6 5365 1 1 32 HIS HD2 H 0.270 -4.135 8.473 1.00 . A A . 32 HIS HD2 1 1 6 5366 1 1 32 HIS HE1 H -2.935 -6.839 8.850 1.00 . A A . 32 HIS HE1 1 1 6 5367 1 1 32 HIS HE2 H -0.458 -6.409 9.342 1.00 . A A . 32 HIS HE2 1 1 6 5368 1 1 32 HIS N N -2.983 -0.355 7.432 1.00 . A A . 32 HIS N 1 1 6 5369 1 1 32 HIS ND1 N -2.839 -4.937 7.962 1.00 . A A . 32 HIS ND1 1 1 6 5370 1 1 32 HIS NE2 N -1.071 -5.775 8.864 1.00 . A A . 32 HIS NE2 1 1 6 5371 1 1 32 HIS O O -0.501 -0.213 8.280 1.00 . A A . 32 HIS O 1 1 6 5372 1 1 33 SER C C 1.654 -1.498 10.204 1.00 . A A . 33 SER C 1 1 6 5373 1 1 33 SER CA C 0.243 -1.478 10.781 1.00 . A A . 33 SER CA 1 1 6 5374 1 1 33 SER CB C 0.246 -2.471 11.970 1.00 . A A . 33 SER CB 1 1 6 5375 1 1 33 SER H H -1.501 -2.459 10.211 1.00 . A A . 33 SER H 1 1 6 5376 1 1 33 SER HA H 0.068 -0.474 11.146 1.00 . A A . 33 SER HA 1 1 6 5377 1 1 33 SER HB2 H 0.507 -3.493 11.605 1.00 . A A . 33 SER HB2 1 1 6 5378 1 1 33 SER HB3 H 1.005 -2.178 12.734 1.00 . A A . 33 SER HB3 1 1 6 5379 1 1 33 SER HG H -0.865 -2.720 13.530 1.00 . A A . 33 SER HG 1 1 6 5380 1 1 33 SER N N -0.846 -1.784 9.858 1.00 . A A . 33 SER N 1 1 6 5381 1 1 33 SER O O 2.638 -1.287 10.902 1.00 . A A . 33 SER O 1 1 6 5382 1 1 33 SER OG O -1.043 -2.525 12.585 1.00 . A A . 33 SER OG 1 1 6 5383 1 1 34 ALA C C 3.378 -0.295 7.641 1.00 . A A . 34 ALA C 1 1 6 5384 1 1 34 ALA CA C 3.029 -1.694 8.146 1.00 . A A . 34 ALA CA 1 1 6 5385 1 1 34 ALA CB C 2.889 -2.640 6.934 1.00 . A A . 34 ALA CB 1 1 6 5386 1 1 34 ALA H H 0.981 -1.910 8.361 1.00 . A A . 34 ALA H 1 1 6 5387 1 1 34 ALA HA H 3.828 -2.013 8.790 1.00 . A A . 34 ALA HA 1 1 6 5388 1 1 34 ALA HB1 H 3.834 -2.671 6.353 1.00 . A A . 34 ALA HB1 1 1 6 5389 1 1 34 ALA HB2 H 2.064 -2.311 6.268 1.00 . A A . 34 ALA HB2 1 1 6 5390 1 1 34 ALA HB3 H 2.667 -3.672 7.280 1.00 . A A . 34 ALA HB3 1 1 6 5391 1 1 34 ALA N N 1.795 -1.735 8.890 1.00 . A A . 34 ALA N 1 1 6 5392 1 1 34 ALA O O 4.479 -0.042 7.149 1.00 . A A . 34 ALA O 1 1 6 5393 1 1 35 CYS C C 2.760 2.959 8.407 1.00 . A A . 35 CYS C 1 1 6 5394 1 1 35 CYS CA C 2.543 1.999 7.249 1.00 . A A . 35 CYS CA 1 1 6 5395 1 1 35 CYS CB C 1.264 2.427 6.489 1.00 . A A . 35 CYS CB 1 1 6 5396 1 1 35 CYS H H 1.544 0.401 8.153 1.00 . A A . 35 CYS H 1 1 6 5397 1 1 35 CYS HA H 3.390 2.071 6.584 1.00 . A A . 35 CYS HA 1 1 6 5398 1 1 35 CYS HB2 H 1.091 1.685 5.671 1.00 . A A . 35 CYS HB2 1 1 6 5399 1 1 35 CYS HB3 H 0.408 2.380 7.208 1.00 . A A . 35 CYS HB3 1 1 6 5400 1 1 35 CYS N N 2.412 0.636 7.717 1.00 . A A . 35 CYS N 1 1 6 5401 1 1 35 CYS O O 2.162 2.821 9.469 1.00 . A A . 35 CYS O 1 1 6 5402 1 1 35 CYS SG S 1.376 4.100 5.774 1.00 . A A . 35 CYS SG 1 1 6 5403 1 1 36 ASP C C 2.811 6.131 9.197 1.00 . A A . 36 ASP C 1 1 6 5404 1 1 36 ASP CA C 3.844 5.003 9.224 1.00 . A A . 36 ASP CA 1 1 6 5405 1 1 36 ASP CB C 5.283 5.543 9.036 1.00 . A A . 36 ASP CB 1 1 6 5406 1 1 36 ASP CG C 5.708 6.411 10.201 1.00 . A A . 36 ASP CG 1 1 6 5407 1 1 36 ASP H H 4.101 4.082 7.359 1.00 . A A . 36 ASP H 1 1 6 5408 1 1 36 ASP HA H 3.770 4.547 10.204 1.00 . A A . 36 ASP HA 1 1 6 5409 1 1 36 ASP HB2 H 5.995 4.698 8.988 1.00 . A A . 36 ASP HB2 1 1 6 5410 1 1 36 ASP HB3 H 5.386 6.112 8.097 1.00 . A A . 36 ASP HB3 1 1 6 5411 1 1 36 ASP HD2 H 5.748 8.242 10.713 1.00 . A A . 36 ASP HD2 1 1 6 5412 1 1 36 ASP N N 3.597 3.995 8.213 1.00 . A A . 36 ASP N 1 1 6 5413 1 1 36 ASP O O 2.293 6.526 10.237 1.00 . A A . 36 ASP O 1 1 6 5414 1 1 36 ASP OD1 O 6.085 6.023 11.290 1.00 . A A . 36 ASP OD1 1 1 6 5415 1 1 36 ASP OD2 O 5.567 7.731 9.908 1.00 . A A . 36 ASP OD2 1 1 6 5416 1 1 37 LYS C C 0.533 7.522 6.874 1.00 . A A . 37 LYS C 1 1 6 5417 1 1 37 LYS CA C 1.651 7.836 7.851 1.00 . A A . 37 LYS CA 1 1 6 5418 1 1 37 LYS CB C 2.462 9.048 7.349 1.00 . A A . 37 LYS CB 1 1 6 5419 1 1 37 LYS CD C 1.686 10.947 8.870 1.00 . A A . 37 LYS CD 1 1 6 5420 1 1 37 LYS CE C 1.052 12.338 8.984 1.00 . A A . 37 LYS CE 1 1 6 5421 1 1 37 LYS CG C 1.701 10.376 7.443 1.00 . A A . 37 LYS CG 1 1 6 5422 1 1 37 LYS H H 2.907 6.354 7.166 1.00 . A A . 37 LYS H 1 1 6 5423 1 1 37 LYS HA H 1.186 8.081 8.794 1.00 . A A . 37 LYS HA 1 1 6 5424 1 1 37 LYS HB2 H 3.402 9.127 7.935 1.00 . A A . 37 LYS HB2 1 1 6 5425 1 1 37 LYS HB3 H 2.777 8.875 6.304 1.00 . A A . 37 LYS HB3 1 1 6 5426 1 1 37 LYS HD2 H 1.173 10.246 9.566 1.00 . A A . 37 LYS HD2 1 1 6 5427 1 1 37 LYS HD3 H 2.740 11.029 9.216 1.00 . A A . 37 LYS HD3 1 1 6 5428 1 1 37 LYS HE2 H 1.226 12.758 9.997 1.00 . A A . 37 LYS HE2 1 1 6 5429 1 1 37 LYS HE3 H 1.471 13.033 8.229 1.00 . A A . 37 LYS HE3 1 1 6 5430 1 1 37 LYS HG2 H 2.199 11.111 6.774 1.00 . A A . 37 LYS HG2 1 1 6 5431 1 1 37 LYS HG3 H 0.666 10.234 7.073 1.00 . A A . 37 LYS HG3 1 1 6 5432 1 1 37 LYS HZ1 H -0.821 11.619 9.489 1.00 . A A . 37 LYS HZ1 1 1 6 5433 1 1 37 LYS HZ2 H -0.616 11.921 7.826 1.00 . A A . 37 LYS HZ2 1 1 6 5434 1 1 37 LYS HZ3 H -0.819 13.215 8.906 1.00 . A A . 37 LYS HZ3 1 1 6 5435 1 1 37 LYS N N 2.515 6.689 8.007 1.00 . A A . 37 LYS N 1 1 6 5436 1 1 37 LYS NZ N -0.410 12.265 8.785 1.00 . A A . 37 LYS NZ 1 1 6 5437 1 1 37 LYS O O 0.657 7.682 5.657 1.00 . A A . 37 LYS O 1 1 6 5438 1 1 38 CYS C C -2.682 8.013 6.599 1.00 . A A . 38 CYS C 1 1 6 5439 1 1 38 CYS CA C -1.806 6.785 6.655 1.00 . A A . 38 CYS CA 1 1 6 5440 1 1 38 CYS CB C -2.578 5.630 7.317 1.00 . A A . 38 CYS CB 1 1 6 5441 1 1 38 CYS H H -0.670 6.891 8.387 1.00 . A A . 38 CYS H 1 1 6 5442 1 1 38 CYS HA H -1.568 6.539 5.629 1.00 . A A . 38 CYS HA 1 1 6 5443 1 1 38 CYS HB2 H -2.360 5.703 8.408 1.00 . A A . 38 CYS HB2 1 1 6 5444 1 1 38 CYS HB3 H -3.676 5.732 7.183 1.00 . A A . 38 CYS HB3 1 1 6 5445 1 1 38 CYS N N -0.593 7.022 7.398 1.00 . A A . 38 CYS N 1 1 6 5446 1 1 38 CYS O O -3.262 8.427 7.599 1.00 . A A . 38 CYS O 1 1 6 5447 1 1 38 CYS SG S -2.061 4.018 6.660 1.00 . A A . 38 CYS SG 1 1 6 5448 1 1 39 VAL C C -4.878 9.325 4.433 1.00 . A A . 39 VAL C 1 1 6 5449 1 1 39 VAL CA C -3.672 9.774 5.226 1.00 . A A . 39 VAL CA 1 1 6 5450 1 1 39 VAL CB C -2.908 10.812 4.454 1.00 . A A . 39 VAL CB 1 1 6 5451 1 1 39 VAL CG1 C -3.761 12.051 4.198 1.00 . A A . 39 VAL CG1 1 1 6 5452 1 1 39 VAL CG2 C -1.672 11.215 5.267 1.00 . A A . 39 VAL CG2 1 1 6 5453 1 1 39 VAL H H -2.334 8.353 4.587 1.00 . A A . 39 VAL H 1 1 6 5454 1 1 39 VAL HA H -3.987 10.207 6.161 1.00 . A A . 39 VAL HA 1 1 6 5455 1 1 39 VAL HB H -2.592 10.378 3.486 1.00 . A A . 39 VAL HB 1 1 6 5456 1 1 39 VAL HG11 H -4.168 12.435 5.155 1.00 . A A . 39 VAL HG11 1 1 6 5457 1 1 39 VAL HG12 H -4.587 11.828 3.494 1.00 . A A . 39 VAL HG12 1 1 6 5458 1 1 39 VAL HG13 H -3.109 12.831 3.747 1.00 . A A . 39 VAL HG13 1 1 6 5459 1 1 39 VAL HG21 H -1.987 11.568 6.271 1.00 . A A . 39 VAL HG21 1 1 6 5460 1 1 39 VAL HG22 H -1.154 12.053 4.755 1.00 . A A . 39 VAL HG22 1 1 6 5461 1 1 39 VAL HG23 H -0.968 10.365 5.380 1.00 . A A . 39 VAL HG23 1 1 6 5462 1 1 39 VAL N N -2.825 8.626 5.415 1.00 . A A . 39 VAL N 1 1 6 5463 1 1 39 VAL O O -4.795 9.036 3.235 1.00 . A A . 39 VAL O 1 1 6 5464 1 1 40 CYS C C -8.073 10.036 4.072 1.00 . A A . 40 CYS C 1 1 6 5465 1 1 40 CYS CA C -7.274 8.835 4.483 1.00 . A A . 40 CYS CA 1 1 6 5466 1 1 40 CYS CB C -8.109 7.950 5.411 1.00 . A A . 40 CYS CB 1 1 6 5467 1 1 40 CYS H H -6.098 9.380 6.086 1.00 . A A . 40 CYS H 1 1 6 5468 1 1 40 CYS HA H -7.098 8.297 3.580 1.00 . A A . 40 CYS HA 1 1 6 5469 1 1 40 CYS HB2 H -8.417 8.564 6.272 1.00 . A A . 40 CYS HB2 1 1 6 5470 1 1 40 CYS HB3 H -9.032 7.651 4.888 1.00 . A A . 40 CYS HB3 1 1 6 5471 1 1 40 CYS N N -6.028 9.180 5.103 1.00 . A A . 40 CYS N 1 1 6 5472 1 1 40 CYS O O -8.536 10.809 4.907 1.00 . A A . 40 CYS O 1 1 6 5473 1 1 40 CYS SG S -7.212 6.491 6.035 1.00 . A A . 40 CYS SG 1 1 6 5474 1 1 41 ALA C C -10.730 10.674 2.690 1.00 . A A . 41 ALA C 1 1 6 5475 1 1 41 ALA CA C -9.329 11.137 2.313 1.00 . A A . 41 ALA CA 1 1 6 5476 1 1 41 ALA CB C -9.236 11.476 0.821 1.00 . A A . 41 ALA CB 1 1 6 5477 1 1 41 ALA H H -7.898 9.579 2.109 1.00 . A A . 41 ALA H 1 1 6 5478 1 1 41 ALA HA H -9.175 12.068 2.841 1.00 . A A . 41 ALA HA 1 1 6 5479 1 1 41 ALA HB1 H -9.914 12.326 0.579 1.00 . A A . 41 ALA HB1 1 1 6 5480 1 1 41 ALA HB2 H -9.507 10.612 0.187 1.00 . A A . 41 ALA HB2 1 1 6 5481 1 1 41 ALA HB3 H -8.196 11.788 0.575 1.00 . A A . 41 ALA HB3 1 1 6 5482 1 1 41 ALA N N -8.307 10.214 2.766 1.00 . A A . 41 ALA N 1 1 6 5483 1 1 41 ALA O O -11.010 9.480 2.833 1.00 . A A . 41 ALA O 1 1 6 5484 1 1 42 TYR C C -14.054 10.920 2.640 1.00 . A A . 42 TYR C 1 1 6 5485 1 1 42 TYR CA C -12.937 11.483 3.505 1.00 . A A . 42 TYR CA 1 1 6 5486 1 1 42 TYR CB C -13.337 12.849 4.096 1.00 . A A . 42 TYR CB 1 1 6 5487 1 1 42 TYR CD1 C -14.166 14.139 2.084 1.00 . A A . 42 TYR CD1 1 1 6 5488 1 1 42 TYR CD2 C -12.084 14.816 3.115 1.00 . A A . 42 TYR CD2 1 1 6 5489 1 1 42 TYR CE1 C -14.031 15.163 1.140 1.00 . A A . 42 TYR CE1 1 1 6 5490 1 1 42 TYR CE2 C -11.949 15.839 2.172 1.00 . A A . 42 TYR CE2 1 1 6 5491 1 1 42 TYR CG C -13.201 13.962 3.089 1.00 . A A . 42 TYR CG 1 1 6 5492 1 1 42 TYR CZ C -12.931 16.022 1.194 1.00 . A A . 42 TYR CZ 1 1 6 5493 1 1 42 TYR H H -11.389 12.583 2.705 1.00 . A A . 42 TYR H 1 1 6 5494 1 1 42 TYR HA H -12.814 10.803 4.317 1.00 . A A . 42 TYR HA 1 1 6 5495 1 1 42 TYR HB2 H -14.377 12.839 4.487 1.00 . A A . 42 TYR HB2 1 1 6 5496 1 1 42 TYR HB3 H -12.648 13.047 4.944 1.00 . A A . 42 TYR HB3 1 1 6 5497 1 1 42 TYR HD1 H -15.021 13.480 2.028 1.00 . A A . 42 TYR HD1 1 1 6 5498 1 1 42 TYR HD2 H -11.309 14.694 3.859 1.00 . A A . 42 TYR HD2 1 1 6 5499 1 1 42 TYR HE1 H -14.790 15.288 0.385 1.00 . A A . 42 TYR HE1 1 1 6 5500 1 1 42 TYR HE2 H -11.090 16.491 2.225 1.00 . A A . 42 TYR HE2 1 1 6 5501 1 1 42 TYR HH H -13.621 17.080 -0.279 1.00 . A A . 42 TYR HH 1 1 6 5502 1 1 42 TYR N N -11.651 11.632 2.848 1.00 . A A . 42 TYR N 1 1 6 5503 1 1 42 TYR O O -15.220 10.870 3.021 1.00 . A A . 42 TYR O 1 1 6 5504 1 1 42 TYR OH O -12.828 17.099 0.296 1.00 . A A . 42 TYR OH 1 1 6 5505 1 1 43 SER C C -15.259 8.706 0.558 1.00 . A A . 43 SER C 1 1 6 5506 1 1 43 SER CA C -14.380 9.937 0.332 1.00 . A A . 43 SER CA 1 1 6 5507 1 1 43 SER CB C -13.323 9.586 -0.745 1.00 . A A . 43 SER CB 1 1 6 5508 1 1 43 SER H H -12.675 10.604 1.319 1.00 . A A . 43 SER H 1 1 6 5509 1 1 43 SER HA H -15.031 10.709 -0.046 1.00 . A A . 43 SER HA 1 1 6 5510 1 1 43 SER HB2 H -12.636 8.807 -0.339 1.00 . A A . 43 SER HB2 1 1 6 5511 1 1 43 SER HB3 H -13.779 9.202 -1.675 1.00 . A A . 43 SER HB3 1 1 6 5512 1 1 43 SER HG H -11.898 10.467 -1.759 1.00 . A A . 43 SER HG 1 1 6 5513 1 1 43 SER N N -13.645 10.455 1.468 1.00 . A A . 43 SER N 1 1 6 5514 1 1 43 SER O O -15.663 8.345 1.662 1.00 . A A . 43 SER O 1 1 6 5515 1 1 43 SER OG O -12.563 10.745 -1.091 1.00 . A A . 43 SER OG 1 1 6 5516 1 1 44 ASN C C -16.022 5.887 -1.643 1.00 . A A . 44 ASN C 1 1 6 5517 1 1 44 ASN CA C -16.455 6.862 -0.544 1.00 . A A . 44 ASN CA 1 1 6 5518 1 1 44 ASN CB C -17.870 7.371 -0.877 1.00 . A A . 44 ASN CB 1 1 6 5519 1 1 44 ASN CG C -18.926 6.286 -0.748 1.00 . A A . 44 ASN CG 1 1 6 5520 1 1 44 ASN H H -15.422 8.384 -1.437 1.00 . A A . 44 ASN H 1 1 6 5521 1 1 44 ASN HA H -16.444 6.385 0.418 1.00 . A A . 44 ASN HA 1 1 6 5522 1 1 44 ASN HB2 H -18.106 8.168 -0.153 1.00 . A A . 44 ASN HB2 1 1 6 5523 1 1 44 ASN HB3 H -17.889 7.835 -1.879 1.00 . A A . 44 ASN HB3 1 1 6 5524 1 1 44 ASN HD21 H -18.545 5.509 -2.609 1.00 . A A . 44 ASN HD21 1 1 6 5525 1 1 44 ASN HD22 H -19.833 4.767 -1.736 1.00 . A A . 44 ASN HD22 1 1 6 5526 1 1 44 ASN N N -15.579 7.997 -0.535 1.00 . A A . 44 ASN N 1 1 6 5527 1 1 44 ASN ND2 N -19.106 5.447 -1.787 1.00 . A A . 44 ASN ND2 1 1 6 5528 1 1 44 ASN O O -16.236 6.155 -2.826 1.00 . A A . 44 ASN O 1 1 6 5529 1 1 44 ASN OD1 O -19.551 6.156 0.307 1.00 . A A . 44 ASN OD1 1 1 6 5530 1 1 45 PRO C C -13.676 5.355 0.329 1.00 . A A . 45 PRO C 1 1 6 5531 1 1 45 PRO CA C -14.858 4.443 0.017 1.00 . A A . 45 PRO CA 1 1 6 5532 1 1 45 PRO CB C -14.444 2.969 -0.127 1.00 . A A . 45 PRO CB 1 1 6 5533 1 1 45 PRO CD C -15.218 3.669 -2.260 1.00 . A A . 45 PRO CD 1 1 6 5534 1 1 45 PRO CG C -14.154 2.790 -1.615 1.00 . A A . 45 PRO CG 1 1 6 5535 1 1 45 PRO HA H -15.607 4.597 0.775 1.00 . A A . 45 PRO HA 1 1 6 5536 1 1 45 PRO HB2 H -13.600 2.688 0.516 1.00 . A A . 45 PRO HB2 1 1 6 5537 1 1 45 PRO HB3 H -15.295 2.326 0.169 1.00 . A A . 45 PRO HB3 1 1 6 5538 1 1 45 PRO HD2 H -14.885 4.045 -3.250 1.00 . A A . 45 PRO HD2 1 1 6 5539 1 1 45 PRO HD3 H -16.174 3.111 -2.379 1.00 . A A . 45 PRO HD3 1 1 6 5540 1 1 45 PRO HG2 H -13.146 3.188 -1.852 1.00 . A A . 45 PRO HG2 1 1 6 5541 1 1 45 PRO HG3 H -14.210 1.737 -1.949 1.00 . A A . 45 PRO HG3 1 1 6 5542 1 1 45 PRO N N -15.421 4.753 -1.297 1.00 . A A . 45 PRO N 1 1 6 5543 1 1 45 PRO O O -13.190 6.010 -0.602 1.00 . A A . 45 PRO O 1 1 6 5544 1 1 46 PRO C C -10.859 6.074 1.304 1.00 . A A . 46 PRO C 1 1 6 5545 1 1 46 PRO CA C -12.189 6.463 1.904 1.00 . A A . 46 PRO CA 1 1 6 5546 1 1 46 PRO CB C -12.173 6.461 3.431 1.00 . A A . 46 PRO CB 1 1 6 5547 1 1 46 PRO CD C -13.693 4.755 2.738 1.00 . A A . 46 PRO CD 1 1 6 5548 1 1 46 PRO CG C -12.644 5.062 3.803 1.00 . A A . 46 PRO CG 1 1 6 5549 1 1 46 PRO HA H -12.443 7.434 1.513 1.00 . A A . 46 PRO HA 1 1 6 5550 1 1 46 PRO HB2 H -11.180 6.711 3.854 1.00 . A A . 46 PRO HB2 1 1 6 5551 1 1 46 PRO HB3 H -12.930 7.190 3.795 1.00 . A A . 46 PRO HB3 1 1 6 5552 1 1 46 PRO HD2 H -13.715 3.652 2.537 1.00 . A A . 46 PRO HD2 1 1 6 5553 1 1 46 PRO HD3 H -14.686 5.169 3.058 1.00 . A A . 46 PRO HD3 1 1 6 5554 1 1 46 PRO HG2 H -11.789 4.361 3.701 1.00 . A A . 46 PRO HG2 1 1 6 5555 1 1 46 PRO HG3 H -13.046 5.029 4.833 1.00 . A A . 46 PRO HG3 1 1 6 5556 1 1 46 PRO N N -13.228 5.502 1.568 1.00 . A A . 46 PRO N 1 1 6 5557 1 1 46 PRO O O -10.632 4.909 0.994 1.00 . A A . 46 PRO O 1 1 6 5558 1 1 47 GLN C C -7.589 6.959 1.097 1.00 . A A . 47 GLN C 1 1 6 5559 1 1 47 GLN CA C -8.816 6.851 0.244 1.00 . A A . 47 GLN CA 1 1 6 5560 1 1 47 GLN CB C -8.757 7.844 -0.937 1.00 . A A . 47 GLN CB 1 1 6 5561 1 1 47 GLN CD C -10.043 8.807 -2.946 1.00 . A A . 47 GLN CD 1 1 6 5562 1 1 47 GLN CG C -10.002 7.744 -1.848 1.00 . A A . 47 GLN CG 1 1 6 5563 1 1 47 GLN H H -10.155 7.974 1.434 1.00 . A A . 47 GLN H 1 1 6 5564 1 1 47 GLN HA H -8.805 5.846 -0.146 1.00 . A A . 47 GLN HA 1 1 6 5565 1 1 47 GLN HB2 H -8.662 8.877 -0.546 1.00 . A A . 47 GLN HB2 1 1 6 5566 1 1 47 GLN HB3 H -7.839 7.628 -1.526 1.00 . A A . 47 GLN HB3 1 1 6 5567 1 1 47 GLN HE21 H -8.274 8.200 -3.766 1.00 . A A . 47 GLN HE21 1 1 6 5568 1 1 47 GLN HE22 H -9.059 9.504 -4.577 1.00 . A A . 47 GLN HE22 1 1 6 5569 1 1 47 GLN HG2 H -10.060 6.740 -2.315 1.00 . A A . 47 GLN HG2 1 1 6 5570 1 1 47 GLN HG3 H -10.916 7.878 -1.232 1.00 . A A . 47 GLN HG3 1 1 6 5571 1 1 47 GLN N N -9.988 7.062 1.065 1.00 . A A . 47 GLN N 1 1 6 5572 1 1 47 GLN NE2 N -9.051 8.812 -3.856 1.00 . A A . 47 GLN NE2 1 1 6 5573 1 1 47 GLN O O -6.975 8.015 1.228 1.00 . A A . 47 GLN O 1 1 6 5574 1 1 47 GLN OE1 O -10.990 9.599 -2.996 1.00 . A A . 47 GLN OE1 1 1 6 5575 1 1 48 CYS C C -4.823 5.481 1.772 1.00 . A A . 48 CYS C 1 1 6 5576 1 1 48 CYS CA C -6.060 5.750 2.585 1.00 . A A . 48 CYS CA 1 1 6 5577 1 1 48 CYS CB C -6.203 4.731 3.729 1.00 . A A . 48 CYS CB 1 1 6 5578 1 1 48 CYS H H -7.760 5.002 1.611 1.00 . A A . 48 CYS H 1 1 6 5579 1 1 48 CYS HA H -5.877 6.704 3.045 1.00 . A A . 48 CYS HA 1 1 6 5580 1 1 48 CYS HB2 H -6.277 3.711 3.293 1.00 . A A . 48 CYS HB2 1 1 6 5581 1 1 48 CYS HB3 H -5.294 4.783 4.367 1.00 . A A . 48 CYS HB3 1 1 6 5582 1 1 48 CYS N N -7.247 5.853 1.768 1.00 . A A . 48 CYS N 1 1 6 5583 1 1 48 CYS O O -4.685 4.417 1.166 1.00 . A A . 48 CYS O 1 1 6 5584 1 1 48 CYS SG S -7.688 5.003 4.747 1.00 . A A . 48 CYS SG 1 1 6 5585 1 1 49 GLN C C -1.536 6.319 2.212 1.00 . A A . 49 GLN C 1 1 6 5586 1 1 49 GLN CA C -2.604 6.361 1.154 1.00 . A A . 49 GLN CA 1 1 6 5587 1 1 49 GLN CB C -2.314 7.573 0.254 1.00 . A A . 49 GLN CB 1 1 6 5588 1 1 49 GLN CD C -2.533 8.515 -2.093 1.00 . A A . 49 GLN CD 1 1 6 5589 1 1 49 GLN CG C -2.994 7.440 -1.117 1.00 . A A . 49 GLN CG 1 1 6 5590 1 1 49 GLN H H -4.073 7.322 2.233 1.00 . A A . 49 GLN H 1 1 6 5591 1 1 49 GLN HA H -2.527 5.447 0.590 1.00 . A A . 49 GLN HA 1 1 6 5592 1 1 49 GLN HB2 H -2.684 8.486 0.778 1.00 . A A . 49 GLN HB2 1 1 6 5593 1 1 49 GLN HB3 H -1.217 7.688 0.078 1.00 . A A . 49 GLN HB3 1 1 6 5594 1 1 49 GLN HE21 H -3.348 9.963 -0.929 1.00 . A A . 49 GLN HE21 1 1 6 5595 1 1 49 GLN HE22 H -2.497 10.514 -2.367 1.00 . A A . 49 GLN HE22 1 1 6 5596 1 1 49 GLN HG2 H -2.727 6.461 -1.567 1.00 . A A . 49 GLN HG2 1 1 6 5597 1 1 49 GLN HG3 H -4.099 7.498 -1.010 1.00 . A A . 49 GLN HG3 1 1 6 5598 1 1 49 GLN N N -3.901 6.458 1.763 1.00 . A A . 49 GLN N 1 1 6 5599 1 1 49 GLN NE2 N -2.789 9.789 -1.741 1.00 . A A . 49 GLN NE2 1 1 6 5600 1 1 49 GLN O O -1.618 6.980 3.246 1.00 . A A . 49 GLN O 1 1 6 5601 1 1 49 GLN OE1 O -1.963 8.218 -3.146 1.00 . A A . 49 GLN OE1 1 1 6 5602 1 1 50 CYS C C 1.722 6.480 2.284 1.00 . A A . 50 CYS C 1 1 6 5603 1 1 50 CYS CA C 0.701 5.478 2.775 1.00 . A A . 50 CYS CA 1 1 6 5604 1 1 50 CYS CB C 1.304 4.047 2.793 1.00 . A A . 50 CYS CB 1 1 6 5605 1 1 50 CYS H H -0.461 5.042 1.078 1.00 . A A . 50 CYS H 1 1 6 5606 1 1 50 CYS HA H 0.444 5.793 3.780 1.00 . A A . 50 CYS HA 1 1 6 5607 1 1 50 CYS HB2 H 0.481 3.314 2.932 1.00 . A A . 50 CYS HB2 1 1 6 5608 1 1 50 CYS HB3 H 1.774 3.827 1.809 1.00 . A A . 50 CYS HB3 1 1 6 5609 1 1 50 CYS N N -0.479 5.543 1.939 1.00 . A A . 50 CYS N 1 1 6 5610 1 1 50 CYS O O 2.516 6.204 1.393 1.00 . A A . 50 CYS O 1 1 6 5611 1 1 50 CYS SG S 2.513 3.831 4.131 1.00 . A A . 50 CYS SG 1 1 6 5612 1 1 51 TYR C C 4.049 8.500 2.663 1.00 . A A . 51 TYR C 1 1 6 5613 1 1 51 TYR CA C 2.573 8.806 2.544 1.00 . A A . 51 TYR CA 1 1 6 5614 1 1 51 TYR CB C 2.165 10.109 3.275 1.00 . A A . 51 TYR CB 1 1 6 5615 1 1 51 TYR CD1 C -0.061 10.516 2.167 1.00 . A A . 51 TYR CD1 1 1 6 5616 1 1 51 TYR CD2 C 1.835 11.809 1.416 1.00 . A A . 51 TYR CD2 1 1 6 5617 1 1 51 TYR CE1 C -0.854 11.098 1.175 1.00 . A A . 51 TYR CE1 1 1 6 5618 1 1 51 TYR CE2 C 1.050 12.370 0.404 1.00 . A A . 51 TYR CE2 1 1 6 5619 1 1 51 TYR CG C 1.289 10.872 2.314 1.00 . A A . 51 TYR CG 1 1 6 5620 1 1 51 TYR CZ C -0.295 12.014 0.281 1.00 . A A . 51 TYR CZ 1 1 6 5621 1 1 51 TYR H H 1.038 7.842 3.599 1.00 . A A . 51 TYR H 1 1 6 5622 1 1 51 TYR HA H 2.491 8.960 1.480 1.00 . A A . 51 TYR HA 1 1 6 5623 1 1 51 TYR HB2 H 1.608 9.891 4.209 1.00 . A A . 51 TYR HB2 1 1 6 5624 1 1 51 TYR HB3 H 3.040 10.735 3.546 1.00 . A A . 51 TYR HB3 1 1 6 5625 1 1 51 TYR HD1 H -0.502 9.747 2.776 1.00 . A A . 51 TYR HD1 1 1 6 5626 1 1 51 TYR HD2 H 2.878 12.089 1.428 1.00 . A A . 51 TYR HD2 1 1 6 5627 1 1 51 TYR HE1 H -1.889 10.805 1.105 1.00 . A A . 51 TYR HE1 1 1 6 5628 1 1 51 TYR HE2 H 1.524 13.064 -0.270 1.00 . A A . 51 TYR HE2 1 1 6 5629 1 1 51 TYR HH H -0.493 13.050 -1.346 1.00 . A A . 51 TYR HH 1 1 6 5630 1 1 51 TYR N N 1.660 7.708 2.827 1.00 . A A . 51 TYR N 1 1 6 5631 1 1 51 TYR O O 4.866 8.875 1.828 1.00 . A A . 51 TYR O 1 1 6 5632 1 1 51 TYR OH O -1.086 12.557 -0.743 1.00 . A A . 51 TYR OH 1 1 6 5633 1 1 52 ASP C C 6.103 6.084 3.487 1.00 . A A . 52 ASP C 1 1 6 5634 1 1 52 ASP CA C 5.771 7.453 4.067 1.00 . A A . 52 ASP CA 1 1 6 5635 1 1 52 ASP CB C 5.945 7.502 5.612 1.00 . A A . 52 ASP CB 1 1 6 5636 1 1 52 ASP CG C 7.357 7.196 6.091 1.00 . A A . 52 ASP CG 1 1 6 5637 1 1 52 ASP H H 3.656 7.437 4.283 1.00 . A A . 52 ASP H 1 1 6 5638 1 1 52 ASP HA H 6.447 8.161 3.603 1.00 . A A . 52 ASP HA 1 1 6 5639 1 1 52 ASP HB2 H 5.688 8.518 5.982 1.00 . A A . 52 ASP HB2 1 1 6 5640 1 1 52 ASP HB3 H 5.268 6.764 6.082 1.00 . A A . 52 ASP HB3 1 1 6 5641 1 1 52 ASP HD2 H 9.166 7.646 5.793 1.00 . A A . 52 ASP HD2 1 1 6 5642 1 1 52 ASP N N 4.403 7.798 3.739 1.00 . A A . 52 ASP N 1 1 6 5643 1 1 52 ASP O O 5.302 5.154 3.540 1.00 . A A . 52 ASP O 1 1 6 5644 1 1 52 ASP OD1 O 7.642 6.417 6.977 1.00 . A A . 52 ASP OD1 1 1 6 5645 1 1 52 ASP OD2 O 8.308 7.889 5.405 1.00 . A A . 52 ASP OD2 1 1 6 5646 1 1 53 THR C C 8.104 3.667 3.504 1.00 . A A . 53 THR C 1 1 6 5647 1 1 53 THR CA C 7.790 4.651 2.397 1.00 . A A . 53 THR CA 1 1 6 5648 1 1 53 THR CB C 9.009 4.751 1.483 1.00 . A A . 53 THR CB 1 1 6 5649 1 1 53 THR CG2 C 8.634 5.550 0.227 1.00 . A A . 53 THR CG2 1 1 6 5650 1 1 53 THR H H 7.951 6.693 2.891 1.00 . A A . 53 THR H 1 1 6 5651 1 1 53 THR HA H 6.989 4.219 1.821 1.00 . A A . 53 THR HA 1 1 6 5652 1 1 53 THR HB H 9.344 3.736 1.165 1.00 . A A . 53 THR HB 1 1 6 5653 1 1 53 THR HG1 H 10.524 4.856 2.725 1.00 . A A . 53 THR HG1 1 1 6 5654 1 1 53 THR HG21 H 9.486 5.577 -0.485 1.00 . A A . 53 THR HG21 1 1 6 5655 1 1 53 THR HG22 H 8.365 6.596 0.477 1.00 . A A . 53 THR HG22 1 1 6 5656 1 1 53 THR HG23 H 7.770 5.084 -0.286 1.00 . A A . 53 THR HG23 1 1 6 5657 1 1 53 THR N N 7.312 5.928 2.921 1.00 . A A . 53 THR N 1 1 6 5658 1 1 53 THR O O 8.274 4.039 4.661 1.00 . A A . 53 THR O 1 1 6 5659 1 1 53 THR OG1 O 10.087 5.457 2.089 1.00 . A A . 53 THR OG1 1 1 6 5660 1 1 54 HIS C C 9.215 0.192 3.811 1.00 . A A . 54 HIS C 1 1 6 5661 1 1 54 HIS CA C 8.430 1.402 4.275 1.00 . A A . 54 HIS CA 1 1 6 5662 1 1 54 HIS CB C 7.175 1.028 5.114 1.00 . A A . 54 HIS CB 1 1 6 5663 1 1 54 HIS CD2 C 7.751 -0.743 6.965 1.00 . A A . 54 HIS CD2 1 1 6 5664 1 1 54 HIS CE1 C 7.903 0.680 8.614 1.00 . A A . 54 HIS CE1 1 1 6 5665 1 1 54 HIS CG C 7.497 0.497 6.481 1.00 . A A . 54 HIS CG 1 1 6 5666 1 1 54 HIS H H 8.113 2.024 2.268 1.00 . A A . 54 HIS H 1 1 6 5667 1 1 54 HIS HA H 9.130 1.883 4.944 1.00 . A A . 54 HIS HA 1 1 6 5668 1 1 54 HIS HB2 H 6.613 1.971 5.313 1.00 . A A . 54 HIS HB2 1 1 6 5669 1 1 54 HIS HB3 H 6.484 0.351 4.578 1.00 . A A . 54 HIS HB3 1 1 6 5670 1 1 54 HIS HD1 H 7.456 2.350 7.483 1.00 . A A . 54 HIS HD1 1 1 6 5671 1 1 54 HIS HD2 H 7.794 -1.703 6.467 1.00 . A A . 54 HIS HD2 1 1 6 5672 1 1 54 HIS HE1 H 8.034 1.121 9.576 1.00 . A A . 54 HIS HE1 1 1 6 5673 1 1 54 HIS HE2 H 8.235 -1.344 8.936 1.00 . A A . 54 HIS HE2 1 1 6 5674 1 1 54 HIS N N 8.146 2.351 3.212 1.00 . A A . 54 HIS N 1 1 6 5675 1 1 54 HIS ND1 N 7.601 1.364 7.528 1.00 . A A . 54 HIS ND1 1 1 6 5676 1 1 54 HIS NE2 N 7.999 -0.602 8.305 1.00 . A A . 54 HIS NE2 1 1 6 5677 1 1 54 HIS O O 10.432 0.134 3.957 1.00 . A A . 54 HIS O 1 1 6 5678 1 1 55 LYS C C 9.335 -2.383 1.557 1.00 . A A . 55 LYS C 1 1 6 5679 1 1 55 LYS CA C 9.075 -2.142 3.036 1.00 . A A . 55 LYS CA 1 1 6 5680 1 1 55 LYS CB C 8.128 -3.171 3.706 1.00 . A A . 55 LYS CB 1 1 6 5681 1 1 55 LYS CD C 5.636 -3.750 4.102 1.00 . A A . 55 LYS CD 1 1 6 5682 1 1 55 LYS CE C 5.695 -5.161 4.719 1.00 . A A . 55 LYS CE 1 1 6 5683 1 1 55 LYS CG C 6.738 -3.391 3.085 1.00 . A A . 55 LYS CG 1 1 6 5684 1 1 55 LYS H H 7.595 -0.715 2.954 1.00 . A A . 55 LYS H 1 1 6 5685 1 1 55 LYS HA H 10.040 -2.206 3.512 1.00 . A A . 55 LYS HA 1 1 6 5686 1 1 55 LYS HB2 H 8.632 -4.147 3.815 1.00 . A A . 55 LYS HB2 1 1 6 5687 1 1 55 LYS HB3 H 7.973 -2.796 4.737 1.00 . A A . 55 LYS HB3 1 1 6 5688 1 1 55 LYS HD2 H 5.609 -2.989 4.911 1.00 . A A . 55 LYS HD2 1 1 6 5689 1 1 55 LYS HD3 H 4.662 -3.689 3.562 1.00 . A A . 55 LYS HD3 1 1 6 5690 1 1 55 LYS HE2 H 4.735 -5.367 5.243 1.00 . A A . 55 LYS HE2 1 1 6 5691 1 1 55 LYS HE3 H 5.843 -5.928 3.932 1.00 . A A . 55 LYS HE3 1 1 6 5692 1 1 55 LYS HG2 H 6.421 -2.469 2.552 1.00 . A A . 55 LYS HG2 1 1 6 5693 1 1 55 LYS HG3 H 6.814 -4.197 2.321 1.00 . A A . 55 LYS HG3 1 1 6 5694 1 1 55 LYS HZ1 H 7.705 -5.236 5.256 1.00 . A A . 55 LYS HZ1 1 1 6 5695 1 1 55 LYS HZ2 H 6.701 -6.233 6.191 1.00 . A A . 55 LYS HZ2 1 1 6 5696 1 1 55 LYS HZ3 H 6.696 -4.556 6.437 1.00 . A A . 55 LYS HZ3 1 1 6 5697 1 1 55 LYS N N 8.534 -0.827 3.270 1.00 . A A . 55 LYS N 1 1 6 5698 1 1 55 LYS NZ N 6.776 -5.306 5.722 1.00 . A A . 55 LYS NZ 1 1 6 5699 1 1 55 LYS O O 9.662 -1.463 0.813 1.00 . A A . 55 LYS O 1 1 6 5700 1 1 56 PHE C C 7.856 -4.130 -0.867 1.00 . A A . 56 PHE C 1 1 6 5701 1 1 56 PHE CA C 9.274 -4.009 -0.311 1.00 . A A . 56 PHE CA 1 1 6 5702 1 1 56 PHE CB C 10.112 -5.311 -0.477 1.00 . A A . 56 PHE CB 1 1 6 5703 1 1 56 PHE CD1 C 10.135 -6.568 1.729 1.00 . A A . 56 PHE CD1 1 1 6 5704 1 1 56 PHE CD2 C 8.760 -7.411 -0.069 1.00 . A A . 56 PHE CD2 1 1 6 5705 1 1 56 PHE CE1 C 9.740 -7.638 2.538 1.00 . A A . 56 PHE CE1 1 1 6 5706 1 1 56 PHE CE2 C 8.358 -8.482 0.737 1.00 . A A . 56 PHE CE2 1 1 6 5707 1 1 56 PHE CG C 9.649 -6.439 0.415 1.00 . A A . 56 PHE CG 1 1 6 5708 1 1 56 PHE CZ C 8.850 -8.597 2.042 1.00 . A A . 56 PHE CZ 1 1 6 5709 1 1 56 PHE H H 8.998 -4.374 1.714 1.00 . A A . 56 PHE H 1 1 6 5710 1 1 56 PHE HA H 9.763 -3.231 -0.883 1.00 . A A . 56 PHE HA 1 1 6 5711 1 1 56 PHE HB2 H 10.106 -5.664 -1.526 1.00 . A A . 56 PHE HB2 1 1 6 5712 1 1 56 PHE HB3 H 11.172 -5.088 -0.226 1.00 . A A . 56 PHE HB3 1 1 6 5713 1 1 56 PHE HD1 H 10.831 -5.849 2.130 1.00 . A A . 56 PHE HD1 1 1 6 5714 1 1 56 PHE HD2 H 8.394 -7.354 -1.083 1.00 . A A . 56 PHE HD2 1 1 6 5715 1 1 56 PHE HE1 H 10.139 -7.720 3.539 1.00 . A A . 56 PHE HE1 1 1 6 5716 1 1 56 PHE HE2 H 7.683 -9.225 0.341 1.00 . A A . 56 PHE HE2 1 1 6 5717 1 1 56 PHE HZ H 8.552 -9.430 2.661 1.00 . A A . 56 PHE HZ 1 1 6 5718 1 1 56 PHE N N 9.215 -3.633 1.087 1.00 . A A . 56 PHE N 1 1 6 5719 1 1 56 PHE O O 6.869 -3.820 -0.196 1.00 . A A . 56 PHE O 1 1 6 5720 1 1 57 CYS C C 5.876 -6.228 -2.106 1.00 . A A . 57 CYS C 1 1 6 5721 1 1 57 CYS CA C 6.333 -4.879 -2.614 1.00 . A A . 57 CYS CA 1 1 6 5722 1 1 57 CYS CB C 6.248 -4.819 -4.150 1.00 . A A . 57 CYS CB 1 1 6 5723 1 1 57 CYS H H 8.428 -4.776 -2.746 1.00 . A A . 57 CYS H 1 1 6 5724 1 1 57 CYS HA H 5.628 -4.158 -2.228 1.00 . A A . 57 CYS HA 1 1 6 5725 1 1 57 CYS HB2 H 7.001 -5.512 -4.576 1.00 . A A . 57 CYS HB2 1 1 6 5726 1 1 57 CYS HB3 H 5.247 -5.152 -4.490 1.00 . A A . 57 CYS HB3 1 1 6 5727 1 1 57 CYS N N 7.664 -4.579 -2.118 1.00 . A A . 57 CYS N 1 1 6 5728 1 1 57 CYS O O 6.329 -7.284 -2.542 1.00 . A A . 57 CYS O 1 1 6 5729 1 1 57 CYS SG S 6.548 -3.142 -4.771 1.00 . A A . 57 CYS SG 1 1 6 5730 1 1 58 TYR C C 3.578 -8.215 -1.313 1.00 . A A . 58 TYR C 1 1 6 5731 1 1 58 TYR CA C 4.432 -7.340 -0.412 1.00 . A A . 58 TYR CA 1 1 6 5732 1 1 58 TYR CB C 3.583 -6.864 0.811 1.00 . A A . 58 TYR CB 1 1 6 5733 1 1 58 TYR CD1 C 4.734 -8.263 2.590 1.00 . A A . 58 TYR CD1 1 1 6 5734 1 1 58 TYR CD2 C 2.321 -8.186 2.551 1.00 . A A . 58 TYR CD2 1 1 6 5735 1 1 58 TYR CE1 C 4.687 -9.108 3.708 1.00 . A A . 58 TYR CE1 1 1 6 5736 1 1 58 TYR CE2 C 2.273 -9.034 3.659 1.00 . A A . 58 TYR CE2 1 1 6 5737 1 1 58 TYR CG C 3.550 -7.806 1.986 1.00 . A A . 58 TYR CG 1 1 6 5738 1 1 58 TYR CZ C 3.450 -9.503 4.238 1.00 . A A . 58 TYR CZ 1 1 6 5739 1 1 58 TYR H H 4.712 -5.287 -0.785 1.00 . A A . 58 TYR H 1 1 6 5740 1 1 58 TYR HA H 5.256 -7.955 -0.084 1.00 . A A . 58 TYR HA 1 1 6 5741 1 1 58 TYR HB2 H 3.993 -5.924 1.211 1.00 . A A . 58 TYR HB2 1 1 6 5742 1 1 58 TYR HB3 H 2.545 -6.666 0.480 1.00 . A A . 58 TYR HB3 1 1 6 5743 1 1 58 TYR HD1 H 5.699 -7.954 2.223 1.00 . A A . 58 TYR HD1 1 1 6 5744 1 1 58 TYR HD2 H 1.382 -7.826 2.170 1.00 . A A . 58 TYR HD2 1 1 6 5745 1 1 58 TYR HE1 H 5.616 -9.435 4.144 1.00 . A A . 58 TYR HE1 1 1 6 5746 1 1 58 TYR HE2 H 1.311 -9.304 4.060 1.00 . A A . 58 TYR HE2 1 1 6 5747 1 1 58 TYR HH H 4.260 -10.605 5.620 1.00 . A A . 58 TYR HH 1 1 6 5748 1 1 58 TYR N N 4.971 -6.188 -1.112 1.00 . A A . 58 TYR N 1 1 6 5749 1 1 58 TYR O O 3.451 -8.016 -2.521 1.00 . A A . 58 TYR O 1 1 6 5750 1 1 58 TYR OH O 3.352 -10.361 5.352 1.00 . A A . 58 TYR OH 1 1 6 5751 1 1 59 LYS C C 0.811 -9.253 -1.993 1.00 . A A . 59 LYS C 1 1 6 5752 1 1 59 LYS CA C 1.937 -10.041 -1.346 1.00 . A A . 59 LYS CA 1 1 6 5753 1 1 59 LYS CB C 1.398 -11.113 -0.396 1.00 . A A . 59 LYS CB 1 1 6 5754 1 1 59 LYS CD C 1.982 -13.231 0.896 1.00 . A A . 59 LYS CD 1 1 6 5755 1 1 59 LYS CE C 2.892 -14.463 0.928 1.00 . A A . 59 LYS CE 1 1 6 5756 1 1 59 LYS CG C 2.460 -12.180 -0.106 1.00 . A A . 59 LYS CG 1 1 6 5757 1 1 59 LYS H H 3.106 -9.367 0.251 1.00 . A A . 59 LYS H 1 1 6 5758 1 1 59 LYS HA H 2.412 -10.581 -2.147 1.00 . A A . 59 LYS HA 1 1 6 5759 1 1 59 LYS HB2 H 1.057 -10.635 0.546 1.00 . A A . 59 LYS HB2 1 1 6 5760 1 1 59 LYS HB3 H 0.527 -11.612 -0.880 1.00 . A A . 59 LYS HB3 1 1 6 5761 1 1 59 LYS HD2 H 1.955 -12.778 1.912 1.00 . A A . 59 LYS HD2 1 1 6 5762 1 1 59 LYS HD3 H 0.946 -13.546 0.641 1.00 . A A . 59 LYS HD3 1 1 6 5763 1 1 59 LYS HE2 H 3.952 -14.153 1.030 1.00 . A A . 59 LYS HE2 1 1 6 5764 1 1 59 LYS HE3 H 2.611 -15.130 1.769 1.00 . A A . 59 LYS HE3 1 1 6 5765 1 1 59 LYS HG2 H 2.723 -12.675 -1.069 1.00 . A A . 59 LYS HG2 1 1 6 5766 1 1 59 LYS HG3 H 3.395 -11.724 0.286 1.00 . A A . 59 LYS HG3 1 1 6 5767 1 1 59 LYS HZ1 H 1.776 -15.571 -0.421 1.00 . A A . 59 LYS HZ1 1 1 6 5768 1 1 59 LYS HZ2 H 3.396 -16.067 -0.286 1.00 . A A . 59 LYS HZ2 1 1 6 5769 1 1 59 LYS HZ3 H 3.012 -14.649 -1.134 1.00 . A A . 59 LYS HZ3 1 1 6 5770 1 1 59 LYS N N 2.965 -9.239 -0.724 1.00 . A A . 59 LYS N 1 1 6 5771 1 1 59 LYS NZ N 2.758 -15.245 -0.321 1.00 . A A . 59 LYS NZ 1 1 6 5772 1 1 59 LYS O O 0.266 -8.290 -1.446 1.00 . A A . 59 LYS O 1 1 6 5773 1 1 60 ALA C C -1.929 -9.653 -3.524 1.00 . A A . 60 ALA C 1 1 6 5774 1 1 60 ALA CA C -0.610 -9.074 -3.964 1.00 . A A . 60 ALA CA 1 1 6 5775 1 1 60 ALA CB C -0.384 -9.313 -5.458 1.00 . A A . 60 ALA CB 1 1 6 5776 1 1 60 ALA H H 0.865 -10.464 -3.626 1.00 . A A . 60 ALA H 1 1 6 5777 1 1 60 ALA HA H -0.639 -8.016 -3.761 1.00 . A A . 60 ALA HA 1 1 6 5778 1 1 60 ALA HB1 H 0.589 -8.869 -5.761 1.00 . A A . 60 ALA HB1 1 1 6 5779 1 1 60 ALA HB2 H -1.191 -8.853 -6.067 1.00 . A A . 60 ALA HB2 1 1 6 5780 1 1 60 ALA HB3 H -0.342 -10.404 -5.665 1.00 . A A . 60 ALA HB3 1 1 6 5781 1 1 60 ALA N N 0.451 -9.661 -3.212 1.00 . A A . 60 ALA N 1 1 6 5782 1 1 60 ALA O O -2.057 -10.852 -3.291 1.00 . A A . 60 ALA O 1 1 6 5783 1 1 61 CYS C C -5.204 -8.578 -4.052 1.00 . A A . 61 CYS C 1 1 6 5784 1 1 61 CYS CA C -4.268 -9.114 -3.006 1.00 . A A . 61 CYS CA 1 1 6 5785 1 1 61 CYS CB C -4.653 -8.449 -1.672 1.00 . A A . 61 CYS CB 1 1 6 5786 1 1 61 CYS H H -2.760 -7.809 -3.472 1.00 . A A . 61 CYS H 1 1 6 5787 1 1 61 CYS HA H -4.411 -10.180 -2.958 1.00 . A A . 61 CYS HA 1 1 6 5788 1 1 61 CYS HB2 H -4.485 -7.360 -1.792 1.00 . A A . 61 CYS HB2 1 1 6 5789 1 1 61 CYS HB3 H -5.729 -8.614 -1.457 1.00 . A A . 61 CYS HB3 1 1 6 5790 1 1 61 CYS N N -2.919 -8.775 -3.354 1.00 . A A . 61 CYS N 1 1 6 5791 1 1 61 CYS O O -4.824 -7.813 -4.930 1.00 . A A . 61 CYS O 1 1 6 5792 1 1 61 CYS SG S -3.673 -9.042 -0.261 1.00 . A A . 61 CYS SG 1 1 6 5793 1 1 62 HIS C C -8.517 -7.700 -3.976 1.00 . A A . 62 HIS C 1 1 6 5794 1 1 62 HIS CA C -7.535 -8.485 -4.819 1.00 . A A . 62 HIS CA 1 1 6 5795 1 1 62 HIS CB C -8.215 -9.694 -5.477 1.00 . A A . 62 HIS CB 1 1 6 5796 1 1 62 HIS CD2 C -6.351 -11.373 -6.106 1.00 . A A . 62 HIS CD2 1 1 6 5797 1 1 62 HIS CE1 C -5.901 -10.562 -8.080 1.00 . A A . 62 HIS CE1 1 1 6 5798 1 1 62 HIS CG C -7.243 -10.393 -6.371 1.00 . A A . 62 HIS CG 1 1 6 5799 1 1 62 HIS H H -6.749 -9.516 -3.157 1.00 . A A . 62 HIS H 1 1 6 5800 1 1 62 HIS HA H -7.139 -7.830 -5.586 1.00 . A A . 62 HIS HA 1 1 6 5801 1 1 62 HIS HB2 H -8.555 -10.401 -4.696 1.00 . A A . 62 HIS HB2 1 1 6 5802 1 1 62 HIS HB3 H -9.101 -9.390 -6.063 1.00 . A A . 62 HIS HB3 1 1 6 5803 1 1 62 HIS HD1 H -7.367 -9.102 -8.035 1.00 . A A . 62 HIS HD1 1 1 6 5804 1 1 62 HIS HD2 H -6.246 -11.971 -5.212 1.00 . A A . 62 HIS HD2 1 1 6 5805 1 1 62 HIS HE1 H -5.438 -10.368 -9.023 1.00 . A A . 62 HIS HE1 1 1 6 5806 1 1 62 HIS HE2 H -4.746 -12.095 -7.284 1.00 . A A . 62 HIS HE2 1 1 6 5807 1 1 62 HIS N N -6.477 -8.950 -3.950 1.00 . A A . 62 HIS N 1 1 6 5808 1 1 62 HIS ND1 N -6.944 -9.901 -7.607 1.00 . A A . 62 HIS ND1 1 1 6 5809 1 1 62 HIS NE2 N -5.519 -11.465 -7.190 1.00 . A A . 62 HIS NE2 1 1 6 5810 1 1 62 HIS O O -8.635 -7.929 -2.776 1.00 . A A . 62 HIS O 1 1 6 5811 1 1 63 ASN C C -10.775 -4.954 -4.934 1.00 . A A . 63 ASN C 1 1 6 5812 1 1 63 ASN CA C -10.162 -5.870 -3.889 1.00 . A A . 63 ASN CA 1 1 6 5813 1 1 63 ASN CB C -9.585 -5.075 -2.670 1.00 . A A . 63 ASN CB 1 1 6 5814 1 1 63 ASN CG C -8.178 -4.513 -2.883 1.00 . A A . 63 ASN CG 1 1 6 5815 1 1 63 ASN H H -9.128 -6.510 -5.525 1.00 . A A . 63 ASN H 1 1 6 5816 1 1 63 ASN HA H -10.962 -6.495 -3.550 1.00 . A A . 63 ASN HA 1 1 6 5817 1 1 63 ASN HB2 H -10.263 -4.230 -2.437 1.00 . A A . 63 ASN HB2 1 1 6 5818 1 1 63 ASN HB3 H -9.598 -5.753 -1.798 1.00 . A A . 63 ASN HB3 1 1 6 5819 1 1 63 ASN HD21 H -7.220 -6.153 -2.125 1.00 . A A . 63 ASN HD21 1 1 6 5820 1 1 63 ASN HD22 H -6.213 -4.834 -2.631 1.00 . A A . 63 ASN HD22 1 1 6 5821 1 1 63 ASN N N -9.211 -6.715 -4.563 1.00 . A A . 63 ASN N 1 1 6 5822 1 1 63 ASN ND2 N -7.113 -5.216 -2.442 1.00 . A A . 63 ASN ND2 1 1 6 5823 1 1 63 ASN O O -11.822 -5.230 -5.505 1.00 . A A . 63 ASN O 1 1 6 5824 1 1 63 ASN OD1 O -8.026 -3.445 -3.475 1.00 . A A . 63 ASN OD1 1 1 6 5825 1 1 64 SER C C -9.474 -2.821 -7.353 1.00 . A A . 64 SER C 1 1 6 5826 1 1 64 SER CA C -10.459 -2.845 -6.203 1.00 . A A . 64 SER CA 1 1 6 5827 1 1 64 SER CB C -10.516 -1.449 -5.507 1.00 . A A . 64 SER CB 1 1 6 5828 1 1 64 SER H H -9.236 -3.710 -4.715 1.00 . A A . 64 SER H 1 1 6 5829 1 1 64 SER HA H -11.433 -3.067 -6.617 1.00 . A A . 64 SER HA 1 1 6 5830 1 1 64 SER HB2 H -11.151 -1.563 -4.600 1.00 . A A . 64 SER HB2 1 1 6 5831 1 1 64 SER HB3 H -9.499 -1.159 -5.157 1.00 . A A . 64 SER HB3 1 1 6 5832 1 1 64 SER HG H -10.365 -0.026 -6.843 1.00 . A A . 64 SER HG 1 1 6 5833 1 1 64 SER N N -10.075 -3.865 -5.245 1.00 . A A . 64 SER N 1 1 6 5834 1 1 64 SER O O -8.868 -1.802 -7.677 1.00 . A A . 64 SER O 1 1 6 5835 1 1 64 SER OG O -11.093 -0.410 -6.313 1.00 . A A . 64 SER OG 1 1 6 5836 1 1 65 GLU C C -9.297 -3.200 -10.407 1.00 . A A . 65 GLU C 1 1 6 5837 1 1 65 GLU CA C -8.636 -4.051 -9.340 1.00 . A A . 65 GLU CA 1 1 6 5838 1 1 65 GLU CB C -8.430 -5.502 -9.830 1.00 . A A . 65 GLU CB 1 1 6 5839 1 1 65 GLU CD C -10.007 -7.013 -8.552 1.00 . A A . 65 GLU CD 1 1 6 5840 1 1 65 GLU CG C -9.674 -6.414 -9.907 1.00 . A A . 65 GLU CG 1 1 6 5841 1 1 65 GLU H H -9.758 -4.792 -7.743 1.00 . A A . 65 GLU H 1 1 6 5842 1 1 65 GLU HA H -7.660 -3.614 -9.221 1.00 . A A . 65 GLU HA 1 1 6 5843 1 1 65 GLU HB2 H -7.956 -5.467 -10.835 1.00 . A A . 65 GLU HB2 1 1 6 5844 1 1 65 GLU HB3 H -7.688 -5.974 -9.155 1.00 . A A . 65 GLU HB3 1 1 6 5845 1 1 65 GLU HE2 H -11.390 -6.973 -7.223 1.00 . A A . 65 GLU HE2 1 1 6 5846 1 1 65 GLU HG2 H -10.547 -5.875 -10.320 1.00 . A A . 65 GLU HG2 1 1 6 5847 1 1 65 GLU HG3 H -9.455 -7.264 -10.585 1.00 . A A . 65 GLU HG3 1 1 6 5848 1 1 65 GLU N N -9.277 -3.972 -8.032 1.00 . A A . 65 GLU N 1 1 6 5849 1 1 65 GLU O O -8.659 -2.691 -11.323 1.00 . A A . 65 GLU O 1 1 6 5850 1 1 65 GLU OE1 O -9.324 -7.797 -7.919 1.00 . A A . 65 GLU OE1 1 1 6 5851 1 1 65 GLU OE2 O -11.148 -6.485 -8.026 1.00 . A A . 65 GLU OE2 1 1 6 5852 1 1 66 ILE C C -12.648 -1.852 -10.250 1.00 . A A . 66 ILE C 1 1 6 5853 1 1 66 ILE CA C -11.492 -2.271 -11.119 1.00 . A A . 66 ILE CA 1 1 6 5854 1 1 66 ILE CB C -12.068 -3.067 -12.294 1.00 . A A . 66 ILE CB 1 1 6 5855 1 1 66 ILE CD1 C -13.608 -4.982 -13.051 1.00 . A A . 66 ILE CD1 1 1 6 5856 1 1 66 ILE CG1 C -12.820 -4.358 -11.893 1.00 . A A . 66 ILE CG1 1 1 6 5857 1 1 66 ILE CG2 C -10.938 -3.359 -13.294 1.00 . A A . 66 ILE CG2 1 1 6 5858 1 1 66 ILE H H -11.053 -3.413 -9.468 1.00 . A A . 66 ILE H 1 1 6 5859 1 1 66 ILE HA H -11.000 -1.379 -11.469 1.00 . A A . 66 ILE HA 1 1 6 5860 1 1 66 ILE HB H -12.805 -2.410 -12.810 1.00 . A A . 66 ILE HB 1 1 6 5861 1 1 66 ILE HD11 H -12.928 -5.317 -13.862 1.00 . A A . 66 ILE HD11 1 1 6 5862 1 1 66 ILE HD12 H -14.324 -4.244 -13.470 1.00 . A A . 66 ILE HD12 1 1 6 5863 1 1 66 ILE HD13 H -14.177 -5.866 -12.693 1.00 . A A . 66 ILE HD13 1 1 6 5864 1 1 66 ILE HG12 H -12.098 -5.106 -11.506 1.00 . A A . 66 ILE HG12 1 1 6 5865 1 1 66 ILE HG13 H -13.543 -4.139 -11.077 1.00 . A A . 66 ILE HG13 1 1 6 5866 1 1 66 ILE HG21 H -11.360 -3.762 -14.233 1.00 . A A . 66 ILE HG21 1 1 6 5867 1 1 66 ILE HG22 H -10.239 -4.115 -12.878 1.00 . A A . 66 ILE HG22 1 1 6 5868 1 1 66 ILE HG23 H -10.379 -2.429 -13.523 1.00 . A A . 66 ILE HG23 1 1 6 5869 1 1 66 ILE N N -10.605 -2.993 -10.247 1.00 . A A . 66 ILE N 1 1 6 5870 1 1 66 ILE O O -12.858 -2.386 -9.159 1.00 . A A . 66 ILE O 1 1 6 5871 1 1 67 GLU C C -15.886 -1.036 -10.272 1.00 . A A . 67 GLU C 1 1 6 5872 1 1 67 GLU CA C -14.551 -0.295 -10.015 1.00 . A A . 67 GLU CA 1 1 6 5873 1 1 67 GLU CB C -14.700 1.189 -10.434 1.00 . A A . 67 GLU CB 1 1 6 5874 1 1 67 GLU CD C -13.332 3.299 -10.818 1.00 . A A . 67 GLU CD 1 1 6 5875 1 1 67 GLU CG C -13.495 2.040 -9.975 1.00 . A A . 67 GLU CG 1 1 6 5876 1 1 67 GLU H H -13.297 -0.501 -11.657 1.00 . A A . 67 GLU H 1 1 6 5877 1 1 67 GLU HA H -14.364 -0.343 -8.952 1.00 . A A . 67 GLU HA 1 1 6 5878 1 1 67 GLU HB2 H -14.793 1.210 -11.544 1.00 . A A . 67 GLU HB2 1 1 6 5879 1 1 67 GLU HB3 H -15.635 1.616 -10.008 1.00 . A A . 67 GLU HB3 1 1 6 5880 1 1 67 GLU HE2 H -11.991 4.227 -11.797 1.00 . A A . 67 GLU HE2 1 1 6 5881 1 1 67 GLU HG2 H -13.614 2.326 -8.910 1.00 . A A . 67 GLU HG2 1 1 6 5882 1 1 67 GLU HG3 H -12.564 1.440 -10.067 1.00 . A A . 67 GLU HG3 1 1 6 5883 1 1 67 GLU N N -13.431 -0.871 -10.730 1.00 . A A . 67 GLU N 1 1 6 5884 1 1 67 GLU O O -15.909 -2.063 -11.001 1.00 . A A . 67 GLU O 1 1 6 5885 1 1 67 GLU OXT O -16.912 -0.563 -9.707 1.00 . A A . 67 GLU OXT 1 1 6 5886 1 1 67 GLU OE1 O -14.197 4.085 -11.159 1.00 . A A . 67 GLU OE1 1 1 6 5887 1 1 67 GLU OE2 O -12.019 3.510 -11.169 1.00 . A A . 67 GLU OE2 1 1 6 5888 2 2 1 CL CL CL -1.140 8.641 10.837 1.00 . B A . 68 CL CL 1 1 6 5889 3 2 1 CL CL CL -5.047 -7.104 -9.052 1.00 . C A . 69 CL CL 1 1 6 5890 4 2 1 CL CL CL -8.366 -14.717 8.870 1.00 . D A . 70 CL CL 1 1 6 5891 5 2 1 CL CL CL -12.837 0.357 -13.980 1.00 . E A . 71 CL CL 1 1 6 5892 6 2 1 CL CL CL -4.367 -13.495 -4.224 1.00 . F A . 72 CL CL 1 1 6 5893 7 2 1 CL CL CL 8.228 10.037 -1.497 1.00 . G A . 73 CL CL 1 1 6 5894 8 2 1 CL CL CL -5.196 2.830 11.963 1.00 . H A . 74 CL CL 1 1 6 5895 9 2 1 CL CL CL 4.245 -7.162 8.171 1.00 . I A . 75 CL CL 1 1 6 5896 10 2 1 CL CL CL 10.900 0.598 -12.062 1.00 . J A . 76 CL CL 1 1 6 5897 11 2 1 CL CL CL 5.444 -17.370 -1.044 1.00 . K A . 77 CL CL 1 1 6 5898 12 2 1 CL CL CL 1.375 9.435 -8.130 1.00 . L A . 78 CL CL 1 1 7 5899 1 1 1 GLY C C -4.309 -15.806 2.313 1.00 . A A . 1 GLY C 1 1 7 5900 1 1 1 GLY CA C -4.011 -17.160 2.876 1.00 . A A . 1 GLY CA 1 1 7 5901 1 1 1 GLY H1 H -3.965 -18.160 1.051 1.00 . A A . 1 GLY H1 1 1 7 5902 1 1 1 GLY H2 H -5.484 -18.155 1.810 1.00 . A A . 1 GLY H2 1 1 7 5903 1 1 1 GLY H3 H -4.250 -19.161 2.390 1.00 . A A . 1 GLY H3 1 1 7 5904 1 1 1 GLY HA2 H -4.557 -17.289 3.798 1.00 . A A . 1 GLY HA2 1 1 7 5905 1 1 1 GLY HA3 H -2.942 -17.264 2.983 1.00 . A A . 1 GLY HA3 1 1 7 5906 1 1 1 GLY N N -4.459 -18.236 1.965 1.00 . A A . 1 GLY N 1 1 7 5907 1 1 1 GLY O O -3.740 -15.384 1.309 1.00 . A A . 1 GLY O 1 1 7 5908 1 1 2 ASP C C -6.165 -13.035 3.838 1.00 . A A . 2 ASP C 1 1 7 5909 1 1 2 ASP CA C -5.639 -13.722 2.580 1.00 . A A . 2 ASP CA 1 1 7 5910 1 1 2 ASP CB C -6.811 -13.817 1.561 1.00 . A A . 2 ASP CB 1 1 7 5911 1 1 2 ASP CG C -6.326 -14.186 0.173 1.00 . A A . 2 ASP CG 1 1 7 5912 1 1 2 ASP H H -5.674 -15.474 3.760 1.00 . A A . 2 ASP H 1 1 7 5913 1 1 2 ASP HA H -4.806 -13.135 2.219 1.00 . A A . 2 ASP HA 1 1 7 5914 1 1 2 ASP HB2 H -7.563 -14.554 1.909 1.00 . A A . 2 ASP HB2 1 1 7 5915 1 1 2 ASP HB3 H -7.317 -12.834 1.460 1.00 . A A . 2 ASP HB3 1 1 7 5916 1 1 2 ASP HD2 H -6.760 -15.319 -1.301 1.00 . A A . 2 ASP HD2 1 1 7 5917 1 1 2 ASP N N -5.189 -15.048 2.985 1.00 . A A . 2 ASP N 1 1 7 5918 1 1 2 ASP O O -7.100 -12.235 3.841 1.00 . A A . 2 ASP O 1 1 7 5919 1 1 2 ASP OD1 O -5.467 -13.601 -0.466 1.00 . A A . 2 ASP OD1 1 1 7 5920 1 1 2 ASP OD2 O -6.946 -15.293 -0.346 1.00 . A A . 2 ASP OD2 1 1 7 5921 1 1 3 ASP C C -4.893 -13.290 7.272 1.00 . A A . 3 ASP C 1 1 7 5922 1 1 3 ASP CA C -6.047 -13.142 6.304 1.00 . A A . 3 ASP CA 1 1 7 5923 1 1 3 ASP CB C -7.221 -14.095 6.667 1.00 . A A . 3 ASP CB 1 1 7 5924 1 1 3 ASP CG C -6.933 -15.563 6.384 1.00 . A A . 3 ASP CG 1 1 7 5925 1 1 3 ASP H H -4.748 -13.962 4.914 1.00 . A A . 3 ASP H 1 1 7 5926 1 1 3 ASP HA H -6.381 -12.116 6.390 1.00 . A A . 3 ASP HA 1 1 7 5927 1 1 3 ASP HB2 H -7.491 -13.946 7.729 1.00 . A A . 3 ASP HB2 1 1 7 5928 1 1 3 ASP HB3 H -8.098 -13.812 6.057 1.00 . A A . 3 ASP HB3 1 1 7 5929 1 1 3 ASP HD2 H -7.128 -17.299 7.100 1.00 . A A . 3 ASP HD2 1 1 7 5930 1 1 3 ASP N N -5.547 -13.377 4.971 1.00 . A A . 3 ASP N 1 1 7 5931 1 1 3 ASP O O -4.818 -14.212 8.078 1.00 . A A . 3 ASP O 1 1 7 5932 1 1 3 ASP OD1 O -6.463 -16.016 5.354 1.00 . A A . 3 ASP OD1 1 1 7 5933 1 1 3 ASP OD2 O -7.261 -16.388 7.428 1.00 . A A . 3 ASP OD2 1 1 7 5934 1 1 4 VAL C C -2.486 -10.825 8.230 1.00 . A A . 4 VAL C 1 1 7 5935 1 1 4 VAL CA C -2.797 -12.293 8.046 1.00 . A A . 4 VAL CA 1 1 7 5936 1 1 4 VAL CB C -1.634 -13.128 7.528 1.00 . A A . 4 VAL CB 1 1 7 5937 1 1 4 VAL CG1 C -1.131 -12.651 6.152 1.00 . A A . 4 VAL CG1 1 1 7 5938 1 1 4 VAL CG2 C -0.498 -13.228 8.563 1.00 . A A . 4 VAL CG2 1 1 7 5939 1 1 4 VAL H H -4.010 -11.637 6.516 1.00 . A A . 4 VAL H 1 1 7 5940 1 1 4 VAL HA H -3.076 -12.667 9.017 1.00 . A A . 4 VAL HA 1 1 7 5941 1 1 4 VAL HB H -2.053 -14.154 7.396 1.00 . A A . 4 VAL HB 1 1 7 5942 1 1 4 VAL HG11 H -1.924 -12.735 5.381 1.00 . A A . 4 VAL HG11 1 1 7 5943 1 1 4 VAL HG12 H -0.271 -13.276 5.823 1.00 . A A . 4 VAL HG12 1 1 7 5944 1 1 4 VAL HG13 H -0.789 -11.597 6.187 1.00 . A A . 4 VAL HG13 1 1 7 5945 1 1 4 VAL HG21 H 0.278 -13.937 8.199 1.00 . A A . 4 VAL HG21 1 1 7 5946 1 1 4 VAL HG22 H -0.877 -13.609 9.535 1.00 . A A . 4 VAL HG22 1 1 7 5947 1 1 4 VAL HG23 H -0.003 -12.254 8.728 1.00 . A A . 4 VAL HG23 1 1 7 5948 1 1 4 VAL N N -3.932 -12.376 7.169 1.00 . A A . 4 VAL N 1 1 7 5949 1 1 4 VAL O O -2.641 -10.011 7.321 1.00 . A A . 4 VAL O 1 1 7 5950 1 1 5 LYS C C -0.497 -8.527 9.336 1.00 . A A . 5 LYS C 1 1 7 5951 1 1 5 LYS CA C -1.829 -9.059 9.844 1.00 . A A . 5 LYS CA 1 1 7 5952 1 1 5 LYS CB C -1.950 -8.967 11.378 1.00 . A A . 5 LYS CB 1 1 7 5953 1 1 5 LYS CD C -2.458 -7.539 13.432 1.00 . A A . 5 LYS CD 1 1 7 5954 1 1 5 LYS CE C -3.981 -7.695 13.571 1.00 . A A . 5 LYS CE 1 1 7 5955 1 1 5 LYS CG C -1.977 -7.556 11.972 1.00 . A A . 5 LYS CG 1 1 7 5956 1 1 5 LYS H H -1.999 -11.109 10.183 1.00 . A A . 5 LYS H 1 1 7 5957 1 1 5 LYS HA H -2.599 -8.456 9.395 1.00 . A A . 5 LYS HA 1 1 7 5958 1 1 5 LYS HB2 H -2.897 -9.479 11.661 1.00 . A A . 5 LYS HB2 1 1 7 5959 1 1 5 LYS HB3 H -1.112 -9.523 11.849 1.00 . A A . 5 LYS HB3 1 1 7 5960 1 1 5 LYS HD2 H -1.942 -8.353 13.989 1.00 . A A . 5 LYS HD2 1 1 7 5961 1 1 5 LYS HD3 H -2.165 -6.571 13.899 1.00 . A A . 5 LYS HD3 1 1 7 5962 1 1 5 LYS HE2 H -4.501 -6.830 13.111 1.00 . A A . 5 LYS HE2 1 1 7 5963 1 1 5 LYS HE3 H -4.327 -8.629 13.085 1.00 . A A . 5 LYS HE3 1 1 7 5964 1 1 5 LYS HG2 H -0.937 -7.165 11.927 1.00 . A A . 5 LYS HG2 1 1 7 5965 1 1 5 LYS HG3 H -2.634 -6.900 11.363 1.00 . A A . 5 LYS HG3 1 1 7 5966 1 1 5 LYS HZ1 H -4.072 -6.897 15.482 1.00 . A A . 5 LYS HZ1 1 1 7 5967 1 1 5 LYS HZ2 H -3.942 -8.587 15.441 1.00 . A A . 5 LYS HZ2 1 1 7 5968 1 1 5 LYS HZ3 H -5.419 -7.843 15.055 1.00 . A A . 5 LYS HZ3 1 1 7 5969 1 1 5 LYS N N -2.063 -10.434 9.444 1.00 . A A . 5 LYS N 1 1 7 5970 1 1 5 LYS NZ N -4.385 -7.760 14.994 1.00 . A A . 5 LYS NZ 1 1 7 5971 1 1 5 LYS O O -0.115 -7.371 9.522 1.00 . A A . 5 LYS O 1 1 7 5972 1 1 6 SER C C 1.002 -7.965 6.702 1.00 . A A . 6 SER C 1 1 7 5973 1 1 6 SER CA C 1.353 -9.022 7.732 1.00 . A A . 6 SER CA 1 1 7 5974 1 1 6 SER CB C 1.875 -10.232 6.911 1.00 . A A . 6 SER CB 1 1 7 5975 1 1 6 SER H H -0.143 -10.291 8.504 1.00 . A A . 6 SER H 1 1 7 5976 1 1 6 SER HA H 2.154 -8.634 8.343 1.00 . A A . 6 SER HA 1 1 7 5977 1 1 6 SER HB2 H 1.066 -10.613 6.251 1.00 . A A . 6 SER HB2 1 1 7 5978 1 1 6 SER HB3 H 2.731 -9.959 6.259 1.00 . A A . 6 SER HB3 1 1 7 5979 1 1 6 SER HG H 2.821 -11.873 7.105 1.00 . A A . 6 SER HG 1 1 7 5980 1 1 6 SER N N 0.215 -9.367 8.576 1.00 . A A . 6 SER N 1 1 7 5981 1 1 6 SER O O -0.123 -7.481 6.567 1.00 . A A . 6 SER O 1 1 7 5982 1 1 6 SER OG O 2.327 -11.299 7.733 1.00 . A A . 6 SER OG 1 1 7 5983 1 1 7 ALA C C 1.002 -7.265 3.633 1.00 . A A . 7 ALA C 1 1 7 5984 1 1 7 ALA CA C 1.737 -6.643 4.818 1.00 . A A . 7 ALA CA 1 1 7 5985 1 1 7 ALA CB C 3.075 -6.083 4.363 1.00 . A A . 7 ALA CB 1 1 7 5986 1 1 7 ALA H H 2.943 -7.742 6.116 1.00 . A A . 7 ALA H 1 1 7 5987 1 1 7 ALA HA H 1.135 -5.812 5.146 1.00 . A A . 7 ALA HA 1 1 7 5988 1 1 7 ALA HB1 H 3.478 -5.355 5.100 1.00 . A A . 7 ALA HB1 1 1 7 5989 1 1 7 ALA HB2 H 2.965 -5.605 3.375 1.00 . A A . 7 ALA HB2 1 1 7 5990 1 1 7 ALA HB3 H 3.808 -6.908 4.254 1.00 . A A . 7 ALA HB3 1 1 7 5991 1 1 7 ALA N N 1.978 -7.515 5.927 1.00 . A A . 7 ALA N 1 1 7 5992 1 1 7 ALA O O 1.304 -8.353 3.148 1.00 . A A . 7 ALA O 1 1 7 5993 1 1 8 CYS C C -0.284 -5.627 0.918 1.00 . A A . 8 CYS C 1 1 7 5994 1 1 8 CYS CA C -0.648 -6.757 1.871 1.00 . A A . 8 CYS CA 1 1 7 5995 1 1 8 CYS CB C -2.197 -6.835 2.037 1.00 . A A . 8 CYS CB 1 1 7 5996 1 1 8 CYS H H -0.235 -5.664 3.581 1.00 . A A . 8 CYS H 1 1 7 5997 1 1 8 CYS HA H -0.282 -7.681 1.438 1.00 . A A . 8 CYS HA 1 1 7 5998 1 1 8 CYS HB2 H -2.580 -7.347 1.132 1.00 . A A . 8 CYS HB2 1 1 7 5999 1 1 8 CYS HB3 H -2.422 -7.496 2.901 1.00 . A A . 8 CYS HB3 1 1 7 6000 1 1 8 CYS N N 0.005 -6.516 3.135 1.00 . A A . 8 CYS N 1 1 7 6001 1 1 8 CYS O O 0.020 -4.514 1.349 1.00 . A A . 8 CYS O 1 1 7 6002 1 1 8 CYS SG S -3.054 -5.223 2.234 1.00 . A A . 8 CYS SG 1 1 7 6003 1 1 9 CYS C C -0.791 -5.205 -2.689 1.00 . A A . 9 CYS C 1 1 7 6004 1 1 9 CYS CA C -0.127 -4.829 -1.375 1.00 . A A . 9 CYS CA 1 1 7 6005 1 1 9 CYS CB C 1.399 -4.692 -1.612 1.00 . A A . 9 CYS CB 1 1 7 6006 1 1 9 CYS H H -0.388 -6.817 -0.757 1.00 . A A . 9 CYS H 1 1 7 6007 1 1 9 CYS HA H -0.555 -3.907 -1.010 1.00 . A A . 9 CYS HA 1 1 7 6008 1 1 9 CYS HB2 H 1.910 -4.931 -0.652 1.00 . A A . 9 CYS HB2 1 1 7 6009 1 1 9 CYS HB3 H 1.745 -5.465 -2.328 1.00 . A A . 9 CYS HB3 1 1 7 6010 1 1 9 CYS N N -0.341 -5.872 -0.402 1.00 . A A . 9 CYS N 1 1 7 6011 1 1 9 CYS O O -0.531 -6.279 -3.208 1.00 . A A . 9 CYS O 1 1 7 6012 1 1 9 CYS SG S 1.949 -3.046 -2.134 1.00 . A A . 9 CYS SG 1 1 7 6013 1 1 10 ASP C C -1.064 -3.856 -5.596 1.00 . A A . 10 ASP C 1 1 7 6014 1 1 10 ASP CA C -2.040 -4.606 -4.697 1.00 . A A . 10 ASP CA 1 1 7 6015 1 1 10 ASP CB C -3.531 -4.269 -4.977 1.00 . A A . 10 ASP CB 1 1 7 6016 1 1 10 ASP CG C -4.406 -5.499 -4.770 1.00 . A A . 10 ASP CG 1 1 7 6017 1 1 10 ASP H H -1.958 -3.508 -2.906 1.00 . A A . 10 ASP H 1 1 7 6018 1 1 10 ASP HA H -1.890 -5.647 -4.961 1.00 . A A . 10 ASP HA 1 1 7 6019 1 1 10 ASP HB2 H -3.887 -3.487 -4.300 1.00 . A A . 10 ASP HB2 1 1 7 6020 1 1 10 ASP HB3 H -3.672 -3.916 -6.010 1.00 . A A . 10 ASP HB3 1 1 7 6021 1 1 10 ASP HD2 H -5.766 -4.552 -5.833 1.00 . A A . 10 ASP HD2 1 1 7 6022 1 1 10 ASP N N -1.651 -4.363 -3.308 1.00 . A A . 10 ASP N 1 1 7 6023 1 1 10 ASP O O -0.082 -4.431 -6.051 1.00 . A A . 10 ASP O 1 1 7 6024 1 1 10 ASP OD1 O -4.107 -6.462 -4.090 1.00 . A A . 10 ASP OD1 1 1 7 6025 1 1 10 ASP OD2 O -5.605 -5.418 -5.431 1.00 . A A . 10 ASP OD2 1 1 7 6026 1 1 11 THR C C 0.904 -1.341 -5.907 1.00 . A A . 11 THR C 1 1 7 6027 1 1 11 THR CA C -0.324 -1.782 -6.665 1.00 . A A . 11 THR CA 1 1 7 6028 1 1 11 THR CB C -0.898 -0.522 -7.273 1.00 . A A . 11 THR CB 1 1 7 6029 1 1 11 THR CG2 C 0.039 0.002 -8.370 1.00 . A A . 11 THR CG2 1 1 7 6030 1 1 11 THR H H -2.078 -2.056 -5.578 1.00 . A A . 11 THR H 1 1 7 6031 1 1 11 THR HA H 0.008 -2.408 -7.478 1.00 . A A . 11 THR HA 1 1 7 6032 1 1 11 THR HB H -1.066 0.258 -6.492 1.00 . A A . 11 THR HB 1 1 7 6033 1 1 11 THR HG1 H -2.553 0.105 -7.950 1.00 . A A . 11 THR HG1 1 1 7 6034 1 1 11 THR HG21 H 1.018 0.316 -7.951 1.00 . A A . 11 THR HG21 1 1 7 6035 1 1 11 THR HG22 H -0.412 0.885 -8.875 1.00 . A A . 11 THR HG22 1 1 7 6036 1 1 11 THR HG23 H 0.228 -0.786 -9.130 1.00 . A A . 11 THR HG23 1 1 7 6037 1 1 11 THR N N -1.259 -2.546 -5.846 1.00 . A A . 11 THR N 1 1 7 6038 1 1 11 THR O O 0.897 -0.408 -5.098 1.00 . A A . 11 THR O 1 1 7 6039 1 1 11 THR OG1 O -2.141 -0.788 -7.900 1.00 . A A . 11 THR OG1 1 1 7 6040 1 1 12 CYS C C 3.967 -0.596 -6.564 1.00 . A A . 12 CYS C 1 1 7 6041 1 1 12 CYS CA C 3.335 -1.685 -5.727 1.00 . A A . 12 CYS CA 1 1 7 6042 1 1 12 CYS CB C 4.258 -2.921 -5.827 1.00 . A A . 12 CYS CB 1 1 7 6043 1 1 12 CYS H H 1.972 -2.793 -6.834 1.00 . A A . 12 CYS H 1 1 7 6044 1 1 12 CYS HA H 3.279 -1.330 -4.708 1.00 . A A . 12 CYS HA 1 1 7 6045 1 1 12 CYS HB2 H 4.268 -3.259 -6.892 1.00 . A A . 12 CYS HB2 1 1 7 6046 1 1 12 CYS HB3 H 5.294 -2.648 -5.520 1.00 . A A . 12 CYS HB3 1 1 7 6047 1 1 12 CYS N N 2.017 -2.018 -6.199 1.00 . A A . 12 CYS N 1 1 7 6048 1 1 12 CYS O O 3.686 -0.432 -7.753 1.00 . A A . 12 CYS O 1 1 7 6049 1 1 12 CYS SG S 3.690 -4.303 -4.805 1.00 . A A . 12 CYS SG 1 1 7 6050 1 1 13 LEU C C 6.973 1.271 -5.892 1.00 . A A . 13 LEU C 1 1 7 6051 1 1 13 LEU CA C 5.710 1.086 -6.678 1.00 . A A . 13 LEU CA 1 1 7 6052 1 1 13 LEU CB C 4.953 2.414 -6.809 1.00 . A A . 13 LEU CB 1 1 7 6053 1 1 13 LEU CD1 C 4.577 4.284 -8.454 1.00 . A A . 13 LEU CD1 1 1 7 6054 1 1 13 LEU CD2 C 6.349 4.544 -6.722 1.00 . A A . 13 LEU CD2 1 1 7 6055 1 1 13 LEU CG C 5.619 3.539 -7.616 1.00 . A A . 13 LEU CG 1 1 7 6056 1 1 13 LEU H H 4.980 0.190 -4.961 1.00 . A A . 13 LEU H 1 1 7 6057 1 1 13 LEU HA H 5.973 0.707 -7.654 1.00 . A A . 13 LEU HA 1 1 7 6058 1 1 13 LEU HB2 H 3.998 2.167 -7.314 1.00 . A A . 13 LEU HB2 1 1 7 6059 1 1 13 LEU HB3 H 4.717 2.761 -5.787 1.00 . A A . 13 LEU HB3 1 1 7 6060 1 1 13 LEU HD11 H 3.828 4.783 -7.810 1.00 . A A . 13 LEU HD11 1 1 7 6061 1 1 13 LEU HD12 H 4.048 3.579 -9.127 1.00 . A A . 13 LEU HD12 1 1 7 6062 1 1 13 LEU HD13 H 5.075 5.062 -9.073 1.00 . A A . 13 LEU HD13 1 1 7 6063 1 1 13 LEU HD21 H 7.191 4.050 -6.201 1.00 . A A . 13 LEU HD21 1 1 7 6064 1 1 13 LEU HD22 H 5.652 4.968 -5.966 1.00 . A A . 13 LEU HD22 1 1 7 6065 1 1 13 LEU HD23 H 6.759 5.376 -7.331 1.00 . A A . 13 LEU HD23 1 1 7 6066 1 1 13 LEU HG H 6.351 3.079 -8.320 1.00 . A A . 13 LEU HG 1 1 7 6067 1 1 13 LEU N N 4.897 0.148 -5.960 1.00 . A A . 13 LEU N 1 1 7 6068 1 1 13 LEU O O 6.982 1.277 -4.659 1.00 . A A . 13 LEU O 1 1 7 6069 1 1 14 CYS C C 10.302 2.235 -6.841 1.00 . A A . 14 CYS C 1 1 7 6070 1 1 14 CYS CA C 9.406 1.313 -6.073 1.00 . A A . 14 CYS CA 1 1 7 6071 1 1 14 CYS CB C 9.986 -0.109 -6.211 1.00 . A A . 14 CYS CB 1 1 7 6072 1 1 14 CYS H H 8.032 1.326 -7.614 1.00 . A A . 14 CYS H 1 1 7 6073 1 1 14 CYS HA H 9.424 1.645 -5.060 1.00 . A A . 14 CYS HA 1 1 7 6074 1 1 14 CYS HB2 H 9.862 -0.438 -7.263 1.00 . A A . 14 CYS HB2 1 1 7 6075 1 1 14 CYS HB3 H 11.073 -0.087 -6.015 1.00 . A A . 14 CYS HB3 1 1 7 6076 1 1 14 CYS N N 8.085 1.390 -6.614 1.00 . A A . 14 CYS N 1 1 7 6077 1 1 14 CYS O O 10.170 2.426 -8.049 1.00 . A A . 14 CYS O 1 1 7 6078 1 1 14 CYS SG S 9.229 -1.329 -5.099 1.00 . A A . 14 CYS SG 1 1 7 6079 1 1 15 THR C C 13.494 3.110 -7.093 1.00 . A A . 15 THR C 1 1 7 6080 1 1 15 THR CA C 12.204 3.776 -6.702 1.00 . A A . 15 THR CA 1 1 7 6081 1 1 15 THR CB C 12.558 4.945 -5.800 1.00 . A A . 15 THR CB 1 1 7 6082 1 1 15 THR CG2 C 11.281 5.760 -5.588 1.00 . A A . 15 THR CG2 1 1 7 6083 1 1 15 THR H H 11.283 2.718 -5.131 1.00 . A A . 15 THR H 1 1 7 6084 1 1 15 THR HA H 11.784 4.211 -7.597 1.00 . A A . 15 THR HA 1 1 7 6085 1 1 15 THR HB H 13.310 5.591 -6.311 1.00 . A A . 15 THR HB 1 1 7 6086 1 1 15 THR HG1 H 12.941 5.342 -3.963 1.00 . A A . 15 THR HG1 1 1 7 6087 1 1 15 THR HG21 H 11.502 6.734 -5.106 1.00 . A A . 15 THR HG21 1 1 7 6088 1 1 15 THR HG22 H 10.571 5.204 -4.948 1.00 . A A . 15 THR HG22 1 1 7 6089 1 1 15 THR HG23 H 10.793 5.964 -6.565 1.00 . A A . 15 THR HG23 1 1 7 6090 1 1 15 THR N N 11.245 2.852 -6.130 1.00 . A A . 15 THR N 1 1 7 6091 1 1 15 THR O O 13.917 2.117 -6.507 1.00 . A A . 15 THR O 1 1 7 6092 1 1 15 THR OG1 O 13.044 4.537 -4.520 1.00 . A A . 15 THR OG1 1 1 7 6093 1 1 16 ARG C C 16.595 4.010 -7.602 1.00 . A A . 16 ARG C 1 1 7 6094 1 1 16 ARG CA C 15.539 3.343 -8.472 1.00 . A A . 16 ARG CA 1 1 7 6095 1 1 16 ARG CB C 15.833 3.724 -9.942 1.00 . A A . 16 ARG CB 1 1 7 6096 1 1 16 ARG CD C 15.386 3.204 -12.417 1.00 . A A . 16 ARG CD 1 1 7 6097 1 1 16 ARG CG C 14.888 3.082 -10.968 1.00 . A A . 16 ARG CG 1 1 7 6098 1 1 16 ARG CZ C 17.840 2.648 -12.785 1.00 . A A . 16 ARG CZ 1 1 7 6099 1 1 16 ARG H H 13.773 4.481 -8.559 1.00 . A A . 16 ARG H 1 1 7 6100 1 1 16 ARG HA H 15.662 2.277 -8.353 1.00 . A A . 16 ARG HA 1 1 7 6101 1 1 16 ARG HB2 H 15.798 4.829 -10.064 1.00 . A A . 16 ARG HB2 1 1 7 6102 1 1 16 ARG HB3 H 16.862 3.381 -10.189 1.00 . A A . 16 ARG HB3 1 1 7 6103 1 1 16 ARG HD2 H 14.589 2.886 -13.116 1.00 . A A . 16 ARG HD2 1 1 7 6104 1 1 16 ARG HD3 H 15.677 4.249 -12.654 1.00 . A A . 16 ARG HD3 1 1 7 6105 1 1 16 ARG HE H 16.357 1.281 -12.513 1.00 . A A . 16 ARG HE 1 1 7 6106 1 1 16 ARG HG2 H 14.756 2.008 -10.713 1.00 . A A . 16 ARG HG2 1 1 7 6107 1 1 16 ARG HG3 H 13.895 3.575 -10.896 1.00 . A A . 16 ARG HG3 1 1 7 6108 1 1 16 ARG HH11 H 17.471 4.661 -12.922 1.00 . A A . 16 ARG HH11 1 1 7 6109 1 1 16 ARG HH12 H 19.139 4.209 -13.081 1.00 . A A . 16 ARG HH12 1 1 7 6110 1 1 16 ARG HH21 H 18.570 0.732 -12.704 1.00 . A A . 16 ARG HH21 1 1 7 6111 1 1 16 ARG HH22 H 19.771 1.959 -12.954 1.00 . A A . 16 ARG HH22 1 1 7 6112 1 1 16 ARG N N 14.181 3.692 -8.090 1.00 . A A . 16 ARG N 1 1 7 6113 1 1 16 ARG NE N 16.541 2.260 -12.600 1.00 . A A . 16 ARG NE 1 1 7 6114 1 1 16 ARG NH1 N 18.181 3.958 -12.931 1.00 . A A . 16 ARG NH1 1 1 7 6115 1 1 16 ARG NH2 N 18.815 1.693 -12.819 1.00 . A A . 16 ARG NH2 1 1 7 6116 1 1 16 ARG O O 17.754 4.132 -7.985 1.00 . A A . 16 ARG O 1 1 7 6117 1 1 17 SER C C 18.251 4.421 -4.931 1.00 . A A . 17 SER C 1 1 7 6118 1 1 17 SER CA C 17.080 5.234 -5.485 1.00 . A A . 17 SER CA 1 1 7 6119 1 1 17 SER CB C 16.268 5.911 -4.336 1.00 . A A . 17 SER CB 1 1 7 6120 1 1 17 SER H H 15.258 4.353 -6.177 1.00 . A A . 17 SER H 1 1 7 6121 1 1 17 SER HA H 17.524 6.038 -6.044 1.00 . A A . 17 SER HA 1 1 7 6122 1 1 17 SER HB2 H 15.382 6.413 -4.784 1.00 . A A . 17 SER HB2 1 1 7 6123 1 1 17 SER HB3 H 15.897 5.147 -3.623 1.00 . A A . 17 SER HB3 1 1 7 6124 1 1 17 SER HG H 16.295 7.351 -3.056 1.00 . A A . 17 SER HG 1 1 7 6125 1 1 17 SER N N 16.212 4.506 -6.414 1.00 . A A . 17 SER N 1 1 7 6126 1 1 17 SER O O 18.596 3.336 -5.388 1.00 . A A . 17 SER O 1 1 7 6127 1 1 17 SER OG O 16.986 6.915 -3.610 1.00 . A A . 17 SER OG 1 1 7 6128 1 1 18 GLN C C 20.050 4.893 -1.813 1.00 . A A . 18 GLN C 1 1 7 6129 1 1 18 GLN CA C 20.073 4.406 -3.257 1.00 . A A . 18 GLN CA 1 1 7 6130 1 1 18 GLN CB C 21.348 4.970 -3.935 1.00 . A A . 18 GLN CB 1 1 7 6131 1 1 18 GLN CD C 22.180 2.798 -4.997 1.00 . A A . 18 GLN CD 1 1 7 6132 1 1 18 GLN CG C 21.774 4.249 -5.237 1.00 . A A . 18 GLN CG 1 1 7 6133 1 1 18 GLN H H 18.524 5.809 -3.566 1.00 . A A . 18 GLN H 1 1 7 6134 1 1 18 GLN HA H 20.078 3.332 -3.292 1.00 . A A . 18 GLN HA 1 1 7 6135 1 1 18 GLN HB2 H 21.144 6.040 -4.166 1.00 . A A . 18 GLN HB2 1 1 7 6136 1 1 18 GLN HB3 H 22.207 4.942 -3.230 1.00 . A A . 18 GLN HB3 1 1 7 6137 1 1 18 GLN HE21 H 23.778 3.360 -3.855 1.00 . A A . 18 GLN HE21 1 1 7 6138 1 1 18 GLN HE22 H 23.626 1.642 -4.179 1.00 . A A . 18 GLN HE22 1 1 7 6139 1 1 18 GLN HG2 H 20.943 4.258 -5.973 1.00 . A A . 18 GLN HG2 1 1 7 6140 1 1 18 GLN HG3 H 22.636 4.780 -5.692 1.00 . A A . 18 GLN HG3 1 1 7 6141 1 1 18 GLN N N 18.877 4.924 -3.872 1.00 . A A . 18 GLN N 1 1 7 6142 1 1 18 GLN NE2 N 23.325 2.592 -4.314 1.00 . A A . 18 GLN NE2 1 1 7 6143 1 1 18 GLN O O 20.386 6.054 -1.554 1.00 . A A . 18 GLN O 1 1 7 6144 1 1 18 GLN OE1 O 21.498 1.852 -5.402 1.00 . A A . 18 GLN OE1 1 1 7 6145 1 1 19 PRO C C 17.662 2.830 -1.707 1.00 . A A . 19 PRO C 1 1 7 6146 1 1 19 PRO CA C 19.031 2.749 -1.024 1.00 . A A . 19 PRO CA 1 1 7 6147 1 1 19 PRO CB C 18.915 2.228 0.419 1.00 . A A . 19 PRO CB 1 1 7 6148 1 1 19 PRO CD C 19.572 4.528 0.538 1.00 . A A . 19 PRO CD 1 1 7 6149 1 1 19 PRO CG C 18.716 3.489 1.263 1.00 . A A . 19 PRO CG 1 1 7 6150 1 1 19 PRO HA H 19.695 2.137 -1.611 1.00 . A A . 19 PRO HA 1 1 7 6151 1 1 19 PRO HB2 H 18.085 1.497 0.556 1.00 . A A . 19 PRO HB2 1 1 7 6152 1 1 19 PRO HB3 H 19.891 1.764 0.706 1.00 . A A . 19 PRO HB3 1 1 7 6153 1 1 19 PRO HD2 H 19.137 5.548 0.626 1.00 . A A . 19 PRO HD2 1 1 7 6154 1 1 19 PRO HD3 H 20.607 4.533 0.940 1.00 . A A . 19 PRO HD3 1 1 7 6155 1 1 19 PRO HG2 H 17.649 3.798 1.233 1.00 . A A . 19 PRO HG2 1 1 7 6156 1 1 19 PRO HG3 H 19.026 3.351 2.319 1.00 . A A . 19 PRO HG3 1 1 7 6157 1 1 19 PRO N N 19.620 4.080 -0.851 1.00 . A A . 19 PRO N 1 1 7 6158 1 1 19 PRO O O 16.937 3.786 -1.421 1.00 . A A . 19 PRO O 1 1 7 6159 1 1 20 PRO C C 14.843 1.656 -2.311 1.00 . A A . 20 PRO C 1 1 7 6160 1 1 20 PRO CA C 15.950 2.040 -3.259 1.00 . A A . 20 PRO CA 1 1 7 6161 1 1 20 PRO CB C 16.070 1.066 -4.430 1.00 . A A . 20 PRO CB 1 1 7 6162 1 1 20 PRO CD C 18.065 0.855 -3.141 1.00 . A A . 20 PRO CD 1 1 7 6163 1 1 20 PRO CG C 17.084 0.028 -3.961 1.00 . A A . 20 PRO CG 1 1 7 6164 1 1 20 PRO HA H 15.741 3.043 -3.588 1.00 . A A . 20 PRO HA 1 1 7 6165 1 1 20 PRO HB2 H 15.101 0.612 -4.709 1.00 . A A . 20 PRO HB2 1 1 7 6166 1 1 20 PRO HB3 H 16.482 1.602 -5.316 1.00 . A A . 20 PRO HB3 1 1 7 6167 1 1 20 PRO HD2 H 18.516 0.251 -2.323 1.00 . A A . 20 PRO HD2 1 1 7 6168 1 1 20 PRO HD3 H 18.856 1.276 -3.802 1.00 . A A . 20 PRO HD3 1 1 7 6169 1 1 20 PRO HG2 H 16.569 -0.704 -3.305 1.00 . A A . 20 PRO HG2 1 1 7 6170 1 1 20 PRO HG3 H 17.558 -0.502 -4.809 1.00 . A A . 20 PRO HG3 1 1 7 6171 1 1 20 PRO N N 17.255 1.952 -2.613 1.00 . A A . 20 PRO N 1 1 7 6172 1 1 20 PRO O O 15.095 0.996 -1.303 1.00 . A A . 20 PRO O 1 1 7 6173 1 1 21 THR C C 11.195 2.066 -2.230 1.00 . A A . 21 THR C 1 1 7 6174 1 1 21 THR CA C 12.551 1.979 -1.582 1.00 . A A . 21 THR CA 1 1 7 6175 1 1 21 THR CB C 12.706 2.963 -0.421 1.00 . A A . 21 THR CB 1 1 7 6176 1 1 21 THR CG2 C 12.679 4.410 -0.911 1.00 . A A . 21 THR CG2 1 1 7 6177 1 1 21 THR H H 13.418 2.603 -3.427 1.00 . A A . 21 THR H 1 1 7 6178 1 1 21 THR HA H 12.579 0.984 -1.163 1.00 . A A . 21 THR HA 1 1 7 6179 1 1 21 THR HB H 13.708 2.776 0.030 1.00 . A A . 21 THR HB 1 1 7 6180 1 1 21 THR HG1 H 12.176 2.911 1.448 1.00 . A A . 21 THR HG1 1 1 7 6181 1 1 21 THR HG21 H 13.500 4.613 -1.627 1.00 . A A . 21 THR HG21 1 1 7 6182 1 1 21 THR HG22 H 12.821 5.103 -0.056 1.00 . A A . 21 THR HG22 1 1 7 6183 1 1 21 THR HG23 H 11.711 4.639 -1.402 1.00 . A A . 21 THR HG23 1 1 7 6184 1 1 21 THR N N 13.610 2.096 -2.580 1.00 . A A . 21 THR N 1 1 7 6185 1 1 21 THR O O 11.057 2.376 -3.408 1.00 . A A . 21 THR O 1 1 7 6186 1 1 21 THR OG1 O 11.713 2.811 0.590 1.00 . A A . 21 THR OG1 1 1 7 6187 1 1 22 CYS C C 7.713 1.618 -1.189 1.00 . A A . 22 CYS C 1 1 7 6188 1 1 22 CYS CA C 8.899 1.250 -2.054 1.00 . A A . 22 CYS CA 1 1 7 6189 1 1 22 CYS CB C 8.894 -0.290 -2.252 1.00 . A A . 22 CYS CB 1 1 7 6190 1 1 22 CYS H H 10.295 1.598 -0.494 1.00 . A A . 22 CYS H 1 1 7 6191 1 1 22 CYS HA H 8.725 1.745 -2.990 1.00 . A A . 22 CYS HA 1 1 7 6192 1 1 22 CYS HB2 H 9.060 -0.730 -1.252 1.00 . A A . 22 CYS HB2 1 1 7 6193 1 1 22 CYS HB3 H 7.903 -0.653 -2.583 1.00 . A A . 22 CYS HB3 1 1 7 6194 1 1 22 CYS N N 10.158 1.671 -1.485 1.00 . A A . 22 CYS N 1 1 7 6195 1 1 22 CYS O O 7.841 2.080 -0.050 1.00 . A A . 22 CYS O 1 1 7 6196 1 1 22 CYS SG S 10.173 -0.993 -3.336 1.00 . A A . 22 CYS SG 1 1 7 6197 1 1 23 ARG C C 4.148 0.888 -1.926 1.00 . A A . 23 ARG C 1 1 7 6198 1 1 23 ARG CA C 5.253 1.427 -1.049 1.00 . A A . 23 ARG CA 1 1 7 6199 1 1 23 ARG CB C 4.866 2.872 -0.602 1.00 . A A . 23 ARG CB 1 1 7 6200 1 1 23 ARG CD C 5.324 4.926 -2.105 1.00 . A A . 23 ARG CD 1 1 7 6201 1 1 23 ARG CG C 4.327 3.855 -1.668 1.00 . A A . 23 ARG CG 1 1 7 6202 1 1 23 ARG CZ C 7.514 4.886 -3.304 1.00 . A A . 23 ARG CZ 1 1 7 6203 1 1 23 ARG H H 6.475 1.011 -2.683 1.00 . A A . 23 ARG H 1 1 7 6204 1 1 23 ARG HA H 5.301 0.775 -0.193 1.00 . A A . 23 ARG HA 1 1 7 6205 1 1 23 ARG HB2 H 4.089 2.812 0.192 1.00 . A A . 23 ARG HB2 1 1 7 6206 1 1 23 ARG HB3 H 5.752 3.351 -0.135 1.00 . A A . 23 ARG HB3 1 1 7 6207 1 1 23 ARG HD2 H 4.820 5.704 -2.714 1.00 . A A . 23 ARG HD2 1 1 7 6208 1 1 23 ARG HD3 H 5.820 5.372 -1.218 1.00 . A A . 23 ARG HD3 1 1 7 6209 1 1 23 ARG HE H 6.199 3.332 -3.253 1.00 . A A . 23 ARG HE 1 1 7 6210 1 1 23 ARG HG2 H 3.923 3.343 -2.560 1.00 . A A . 23 ARG HG2 1 1 7 6211 1 1 23 ARG HG3 H 3.482 4.416 -1.203 1.00 . A A . 23 ARG HG3 1 1 7 6212 1 1 23 ARG HH11 H 7.097 6.701 -2.454 1.00 . A A . 23 ARG HH11 1 1 7 6213 1 1 23 ARG HH12 H 8.631 6.603 -3.253 1.00 . A A . 23 ARG HH12 1 1 7 6214 1 1 23 ARG HH21 H 8.148 3.254 -4.317 1.00 . A A . 23 ARG HH21 1 1 7 6215 1 1 23 ARG HH22 H 9.283 4.582 -4.291 1.00 . A A . 23 ARG HH22 1 1 7 6216 1 1 23 ARG N N 6.517 1.317 -1.729 1.00 . A A . 23 ARG N 1 1 7 6217 1 1 23 ARG NE N 6.346 4.274 -2.959 1.00 . A A . 23 ARG NE 1 1 7 6218 1 1 23 ARG NH1 N 7.774 6.178 -2.971 1.00 . A A . 23 ARG NH1 1 1 7 6219 1 1 23 ARG NH2 N 8.420 4.166 -4.012 1.00 . A A . 23 ARG NH2 1 1 7 6220 1 1 23 ARG O O 4.303 0.627 -3.119 1.00 . A A . 23 ARG O 1 1 7 6221 1 1 24 CYS C C 1.034 1.626 -2.387 1.00 . A A . 24 CYS C 1 1 7 6222 1 1 24 CYS CA C 1.748 0.351 -2.011 1.00 . A A . 24 CYS CA 1 1 7 6223 1 1 24 CYS CB C 0.798 -0.479 -1.114 1.00 . A A . 24 CYS CB 1 1 7 6224 1 1 24 CYS H H 2.896 0.871 -0.345 1.00 . A A . 24 CYS H 1 1 7 6225 1 1 24 CYS HA H 1.989 -0.189 -2.919 1.00 . A A . 24 CYS HA 1 1 7 6226 1 1 24 CYS HB2 H 0.466 0.134 -0.247 1.00 . A A . 24 CYS HB2 1 1 7 6227 1 1 24 CYS HB3 H -0.105 -0.779 -1.685 1.00 . A A . 24 CYS HB3 1 1 7 6228 1 1 24 CYS N N 2.969 0.698 -1.318 1.00 . A A . 24 CYS N 1 1 7 6229 1 1 24 CYS O O 0.346 2.220 -1.568 1.00 . A A . 24 CYS O 1 1 7 6230 1 1 24 CYS SG S 1.638 -1.943 -0.475 1.00 . A A . 24 CYS SG 1 1 7 6231 1 1 25 VAL C C -1.031 3.066 -4.304 1.00 . A A . 25 VAL C 1 1 7 6232 1 1 25 VAL CA C 0.475 3.242 -4.202 1.00 . A A . 25 VAL CA 1 1 7 6233 1 1 25 VAL CB C 1.111 3.799 -5.454 1.00 . A A . 25 VAL CB 1 1 7 6234 1 1 25 VAL CG1 C 2.543 4.201 -5.057 1.00 . A A . 25 VAL CG1 1 1 7 6235 1 1 25 VAL CG2 C 1.079 2.779 -6.603 1.00 . A A . 25 VAL CG2 1 1 7 6236 1 1 25 VAL H H 1.701 1.550 -4.298 1.00 . A A . 25 VAL H 1 1 7 6237 1 1 25 VAL HA H 0.584 4.028 -3.475 1.00 . A A . 25 VAL HA 1 1 7 6238 1 1 25 VAL HB H 0.565 4.719 -5.774 1.00 . A A . 25 VAL HB 1 1 7 6239 1 1 25 VAL HG11 H 3.121 3.315 -4.724 1.00 . A A . 25 VAL HG11 1 1 7 6240 1 1 25 VAL HG12 H 2.533 4.928 -4.218 1.00 . A A . 25 VAL HG12 1 1 7 6241 1 1 25 VAL HG13 H 3.072 4.675 -5.907 1.00 . A A . 25 VAL HG13 1 1 7 6242 1 1 25 VAL HG21 H 1.562 3.214 -7.504 1.00 . A A . 25 VAL HG21 1 1 7 6243 1 1 25 VAL HG22 H 0.031 2.522 -6.870 1.00 . A A . 25 VAL HG22 1 1 7 6244 1 1 25 VAL HG23 H 1.619 1.849 -6.333 1.00 . A A . 25 VAL HG23 1 1 7 6245 1 1 25 VAL N N 1.203 2.106 -3.633 1.00 . A A . 25 VAL N 1 1 7 6246 1 1 25 VAL O O -1.799 3.995 -4.548 1.00 . A A . 25 VAL O 1 1 7 6247 1 1 26 ASP C C -3.624 2.051 -2.872 1.00 . A A . 26 ASP C 1 1 7 6248 1 1 26 ASP CA C -2.806 1.330 -3.942 1.00 . A A . 26 ASP CA 1 1 7 6249 1 1 26 ASP CB C -2.720 -0.170 -3.572 1.00 . A A . 26 ASP CB 1 1 7 6250 1 1 26 ASP CG C -4.004 -0.894 -3.866 1.00 . A A . 26 ASP CG 1 1 7 6251 1 1 26 ASP H H -0.702 1.177 -3.969 1.00 . A A . 26 ASP H 1 1 7 6252 1 1 26 ASP HA H -3.296 1.476 -4.894 1.00 . A A . 26 ASP HA 1 1 7 6253 1 1 26 ASP HB2 H -1.926 -0.649 -4.174 1.00 . A A . 26 ASP HB2 1 1 7 6254 1 1 26 ASP HB3 H -2.483 -0.293 -2.495 1.00 . A A . 26 ASP HB3 1 1 7 6255 1 1 26 ASP HD2 H -5.105 -1.335 -5.374 1.00 . A A . 26 ASP HD2 1 1 7 6256 1 1 26 ASP N N -1.454 1.817 -4.081 1.00 . A A . 26 ASP N 1 1 7 6257 1 1 26 ASP O O -3.150 2.294 -1.760 1.00 . A A . 26 ASP O 1 1 7 6258 1 1 26 ASP OD1 O -4.677 -1.495 -3.061 1.00 . A A . 26 ASP OD1 1 1 7 6259 1 1 26 ASP OD2 O -4.243 -0.918 -5.199 1.00 . A A . 26 ASP OD2 1 1 7 6260 1 1 27 VAL C C -7.023 2.586 -2.013 1.00 . A A . 27 VAL C 1 1 7 6261 1 1 27 VAL CA C -5.692 3.226 -2.327 1.00 . A A . 27 VAL CA 1 1 7 6262 1 1 27 VAL CB C -5.941 4.578 -2.928 1.00 . A A . 27 VAL CB 1 1 7 6263 1 1 27 VAL CG1 C -6.247 5.536 -1.785 1.00 . A A . 27 VAL CG1 1 1 7 6264 1 1 27 VAL CG2 C -4.702 5.085 -3.659 1.00 . A A . 27 VAL CG2 1 1 7 6265 1 1 27 VAL H H -5.253 2.291 -4.120 1.00 . A A . 27 VAL H 1 1 7 6266 1 1 27 VAL HA H -5.198 3.373 -1.379 1.00 . A A . 27 VAL HA 1 1 7 6267 1 1 27 VAL HB H -6.764 4.519 -3.670 1.00 . A A . 27 VAL HB 1 1 7 6268 1 1 27 VAL HG11 H -7.145 5.211 -1.224 1.00 . A A . 27 VAL HG11 1 1 7 6269 1 1 27 VAL HG12 H -6.404 6.550 -2.198 1.00 . A A . 27 VAL HG12 1 1 7 6270 1 1 27 VAL HG13 H -5.375 5.581 -1.099 1.00 . A A . 27 VAL HG13 1 1 7 6271 1 1 27 VAL HG21 H -4.793 6.183 -3.806 1.00 . A A . 27 VAL HG21 1 1 7 6272 1 1 27 VAL HG22 H -4.599 4.587 -4.644 1.00 . A A . 27 VAL HG22 1 1 7 6273 1 1 27 VAL HG23 H -3.793 4.875 -3.067 1.00 . A A . 27 VAL HG23 1 1 7 6274 1 1 27 VAL N N -4.875 2.417 -3.198 1.00 . A A . 27 VAL N 1 1 7 6275 1 1 27 VAL O O -7.827 2.266 -2.890 1.00 . A A . 27 VAL O 1 1 7 6276 1 1 28 ARG C C -9.128 2.125 0.861 1.00 . A A . 28 ARG C 1 1 7 6277 1 1 28 ARG CA C -8.321 1.501 -0.247 1.00 . A A . 28 ARG CA 1 1 7 6278 1 1 28 ARG CB C -7.660 0.207 0.268 1.00 . A A . 28 ARG CB 1 1 7 6279 1 1 28 ARG CD C -8.116 -1.026 -1.912 1.00 . A A . 28 ARG CD 1 1 7 6280 1 1 28 ARG CG C -7.073 -0.675 -0.843 1.00 . A A . 28 ARG CG 1 1 7 6281 1 1 28 ARG CZ C -7.797 -3.483 -2.371 1.00 . A A . 28 ARG CZ 1 1 7 6282 1 1 28 ARG H H -6.663 2.738 -0.022 1.00 . A A . 28 ARG H 1 1 7 6283 1 1 28 ARG HA H -9.031 1.293 -1.028 1.00 . A A . 28 ARG HA 1 1 7 6284 1 1 28 ARG HB2 H -6.832 0.493 0.947 1.00 . A A . 28 ARG HB2 1 1 7 6285 1 1 28 ARG HB3 H -8.383 -0.404 0.846 1.00 . A A . 28 ARG HB3 1 1 7 6286 1 1 28 ARG HD2 H -9.107 -1.257 -1.472 1.00 . A A . 28 ARG HD2 1 1 7 6287 1 1 28 ARG HD3 H -8.241 -0.155 -2.589 1.00 . A A . 28 ARG HD3 1 1 7 6288 1 1 28 ARG HE H -7.271 -1.984 -3.648 1.00 . A A . 28 ARG HE 1 1 7 6289 1 1 28 ARG HG2 H -6.230 -0.139 -1.331 1.00 . A A . 28 ARG HG2 1 1 7 6290 1 1 28 ARG HG3 H -6.661 -1.591 -0.367 1.00 . A A . 28 ARG HG3 1 1 7 6291 1 1 28 ARG HH11 H -8.609 -3.165 -0.497 1.00 . A A . 28 ARG HH11 1 1 7 6292 1 1 28 ARG HH12 H -8.385 -4.818 -0.936 1.00 . A A . 28 ARG HH12 1 1 7 6293 1 1 28 ARG HH21 H -7.086 -4.210 -4.154 1.00 . A A . 28 ARG HH21 1 1 7 6294 1 1 28 ARG HH22 H -7.521 -5.421 -2.990 1.00 . A A . 28 ARG HH22 1 1 7 6295 1 1 28 ARG N N -7.277 2.376 -0.717 1.00 . A A . 28 ARG N 1 1 7 6296 1 1 28 ARG NE N -7.659 -2.178 -2.746 1.00 . A A . 28 ARG NE 1 1 7 6297 1 1 28 ARG NH1 N -8.301 -3.847 -1.157 1.00 . A A . 28 ARG NH1 1 1 7 6298 1 1 28 ARG NH2 N -7.426 -4.460 -3.247 1.00 . A A . 28 ARG NH2 1 1 7 6299 1 1 28 ARG O O -8.828 3.213 1.334 1.00 . A A . 28 ARG O 1 1 7 6300 1 1 29 GLU C C -10.218 1.947 3.783 1.00 . A A . 29 GLU C 1 1 7 6301 1 1 29 GLU CA C -10.990 1.749 2.486 1.00 . A A . 29 GLU CA 1 1 7 6302 1 1 29 GLU CB C -12.046 0.649 2.653 1.00 . A A . 29 GLU CB 1 1 7 6303 1 1 29 GLU CD C -14.020 1.887 1.651 1.00 . A A . 29 GLU CD 1 1 7 6304 1 1 29 GLU CG C -13.115 0.667 1.530 1.00 . A A . 29 GLU CG 1 1 7 6305 1 1 29 GLU H H -10.369 0.517 0.937 1.00 . A A . 29 GLU H 1 1 7 6306 1 1 29 GLU HA H -11.468 2.695 2.292 1.00 . A A . 29 GLU HA 1 1 7 6307 1 1 29 GLU HB2 H -11.500 -0.319 2.635 1.00 . A A . 29 GLU HB2 1 1 7 6308 1 1 29 GLU HB3 H -12.547 0.722 3.641 1.00 . A A . 29 GLU HB3 1 1 7 6309 1 1 29 GLU HE2 H -13.546 2.348 -0.213 1.00 . A A . 29 GLU HE2 1 1 7 6310 1 1 29 GLU HG2 H -12.639 0.634 0.529 1.00 . A A . 29 GLU HG2 1 1 7 6311 1 1 29 GLU HG3 H -13.761 -0.230 1.630 1.00 . A A . 29 GLU HG3 1 1 7 6312 1 1 29 GLU N N -10.192 1.437 1.311 1.00 . A A . 29 GLU N 1 1 7 6313 1 1 29 GLU O O -10.649 2.652 4.696 1.00 . A A . 29 GLU O 1 1 7 6314 1 1 29 GLU OE1 O -14.574 2.244 2.676 1.00 . A A . 29 GLU OE1 1 1 7 6315 1 1 29 GLU OE2 O -14.183 2.583 0.481 1.00 . A A . 29 GLU OE2 1 1 7 6316 1 1 30 SER C C -6.741 1.007 4.483 1.00 . A A . 30 SER C 1 1 7 6317 1 1 30 SER CA C -8.134 1.306 4.986 1.00 . A A . 30 SER CA 1 1 7 6318 1 1 30 SER CB C -8.474 0.179 6.014 1.00 . A A . 30 SER CB 1 1 7 6319 1 1 30 SER H H -8.787 0.793 3.041 1.00 . A A . 30 SER H 1 1 7 6320 1 1 30 SER HA H -8.122 2.280 5.452 1.00 . A A . 30 SER HA 1 1 7 6321 1 1 30 SER HB2 H -8.642 -0.780 5.471 1.00 . A A . 30 SER HB2 1 1 7 6322 1 1 30 SER HB3 H -7.641 0.012 6.734 1.00 . A A . 30 SER HB3 1 1 7 6323 1 1 30 SER HG H -9.335 0.906 7.604 1.00 . A A . 30 SER HG 1 1 7 6324 1 1 30 SER N N -9.035 1.328 3.846 1.00 . A A . 30 SER N 1 1 7 6325 1 1 30 SER O O -6.529 0.744 3.302 1.00 . A A . 30 SER O 1 1 7 6326 1 1 30 SER OG O -9.645 0.491 6.770 1.00 . A A . 30 SER OG 1 1 7 6327 1 1 31 CYS C C -4.139 -0.814 5.617 1.00 . A A . 31 CYS C 1 1 7 6328 1 1 31 CYS CA C -4.384 0.590 5.062 1.00 . A A . 31 CYS CA 1 1 7 6329 1 1 31 CYS CB C -3.372 1.629 5.573 1.00 . A A . 31 CYS CB 1 1 7 6330 1 1 31 CYS H H -5.892 1.411 6.288 1.00 . A A . 31 CYS H 1 1 7 6331 1 1 31 CYS HA H -4.259 0.493 3.992 1.00 . A A . 31 CYS HA 1 1 7 6332 1 1 31 CYS HB2 H -3.620 1.818 6.641 1.00 . A A . 31 CYS HB2 1 1 7 6333 1 1 31 CYS HB3 H -2.326 1.259 5.501 1.00 . A A . 31 CYS HB3 1 1 7 6334 1 1 31 CYS N N -5.732 1.038 5.366 1.00 . A A . 31 CYS N 1 1 7 6335 1 1 31 CYS O O -4.761 -1.767 5.157 1.00 . A A . 31 CYS O 1 1 7 6336 1 1 31 CYS SG S -3.503 3.203 4.678 1.00 . A A . 31 CYS SG 1 1 7 6337 1 1 32 HIS C C -2.314 -2.266 8.492 1.00 . A A . 32 HIS C 1 1 7 6338 1 1 32 HIS CA C -3.000 -2.361 7.131 1.00 . A A . 32 HIS CA 1 1 7 6339 1 1 32 HIS CB C -2.293 -3.299 6.123 1.00 . A A . 32 HIS CB 1 1 7 6340 1 1 32 HIS CD2 C -2.385 -5.838 6.873 1.00 . A A . 32 HIS CD2 1 1 7 6341 1 1 32 HIS CE1 C -4.082 -6.359 5.605 1.00 . A A . 32 HIS CE1 1 1 7 6342 1 1 32 HIS CG C -2.774 -4.726 6.204 1.00 . A A . 32 HIS CG 1 1 7 6343 1 1 32 HIS H H -2.726 -0.283 7.042 1.00 . A A . 32 HIS H 1 1 7 6344 1 1 32 HIS HA H -3.973 -2.784 7.335 1.00 . A A . 32 HIS HA 1 1 7 6345 1 1 32 HIS HB2 H -2.620 -2.985 5.106 1.00 . A A . 32 HIS HB2 1 1 7 6346 1 1 32 HIS HB3 H -1.196 -3.175 6.112 1.00 . A A . 32 HIS HB3 1 1 7 6347 1 1 32 HIS HD1 H -4.337 -4.465 4.823 1.00 . A A . 32 HIS HD1 1 1 7 6348 1 1 32 HIS HD2 H -1.606 -5.983 7.613 1.00 . A A . 32 HIS HD2 1 1 7 6349 1 1 32 HIS HE1 H -4.866 -6.878 5.105 1.00 . A A . 32 HIS HE1 1 1 7 6350 1 1 32 HIS HE2 H -3.177 -7.804 6.791 1.00 . A A . 32 HIS HE2 1 1 7 6351 1 1 32 HIS N N -3.215 -1.029 6.583 1.00 . A A . 32 HIS N 1 1 7 6352 1 1 32 HIS ND1 N -3.843 -5.076 5.437 1.00 . A A . 32 HIS ND1 1 1 7 6353 1 1 32 HIS NE2 N -3.214 -6.853 6.474 1.00 . A A . 32 HIS NE2 1 1 7 6354 1 1 32 HIS O O -2.765 -1.515 9.346 1.00 . A A . 32 HIS O 1 1 7 6355 1 1 33 SER C C 0.555 -1.969 10.176 1.00 . A A . 33 SER C 1 1 7 6356 1 1 33 SER CA C -0.598 -2.959 10.100 1.00 . A A . 33 SER CA 1 1 7 6357 1 1 33 SER CB C -0.132 -4.374 10.535 1.00 . A A . 33 SER CB 1 1 7 6358 1 1 33 SER H H -0.813 -3.665 8.157 1.00 . A A . 33 SER H 1 1 7 6359 1 1 33 SER HA H -1.326 -2.620 10.829 1.00 . A A . 33 SER HA 1 1 7 6360 1 1 33 SER HB2 H -0.941 -5.104 10.290 1.00 . A A . 33 SER HB2 1 1 7 6361 1 1 33 SER HB3 H 0.768 -4.696 9.972 1.00 . A A . 33 SER HB3 1 1 7 6362 1 1 33 SER HG H -0.775 -4.365 12.358 1.00 . A A . 33 SER HG 1 1 7 6363 1 1 33 SER N N -1.222 -3.000 8.782 1.00 . A A . 33 SER N 1 1 7 6364 1 1 33 SER O O 0.444 -0.903 10.778 1.00 . A A . 33 SER O 1 1 7 6365 1 1 33 SER OG O 0.119 -4.440 11.941 1.00 . A A . 33 SER OG 1 1 7 6366 1 1 34 ALA C C 3.164 -0.340 8.861 1.00 . A A . 34 ALA C 1 1 7 6367 1 1 34 ALA CA C 2.954 -1.534 9.770 1.00 . A A . 34 ALA CA 1 1 7 6368 1 1 34 ALA CB C 4.130 -2.494 9.580 1.00 . A A . 34 ALA CB 1 1 7 6369 1 1 34 ALA H H 1.826 -3.102 9.029 1.00 . A A . 34 ALA H 1 1 7 6370 1 1 34 ALA HA H 2.951 -1.154 10.779 1.00 . A A . 34 ALA HA 1 1 7 6371 1 1 34 ALA HB1 H 4.019 -3.368 10.257 1.00 . A A . 34 ALA HB1 1 1 7 6372 1 1 34 ALA HB2 H 5.091 -1.997 9.817 1.00 . A A . 34 ALA HB2 1 1 7 6373 1 1 34 ALA HB3 H 4.184 -2.864 8.533 1.00 . A A . 34 ALA HB3 1 1 7 6374 1 1 34 ALA N N 1.715 -2.264 9.553 1.00 . A A . 34 ALA N 1 1 7 6375 1 1 34 ALA O O 4.277 0.089 8.566 1.00 . A A . 34 ALA O 1 1 7 6376 1 1 35 CYS C C 2.223 2.697 8.406 1.00 . A A . 35 CYS C 1 1 7 6377 1 1 35 CYS CA C 2.093 1.433 7.562 1.00 . A A . 35 CYS CA 1 1 7 6378 1 1 35 CYS CB C 0.837 1.473 6.659 1.00 . A A . 35 CYS CB 1 1 7 6379 1 1 35 CYS H H 1.205 -0.145 8.706 1.00 . A A . 35 CYS H 1 1 7 6380 1 1 35 CYS HA H 2.956 1.375 6.917 1.00 . A A . 35 CYS HA 1 1 7 6381 1 1 35 CYS HB2 H 0.811 0.510 6.094 1.00 . A A . 35 CYS HB2 1 1 7 6382 1 1 35 CYS HB3 H -0.066 1.528 7.311 1.00 . A A . 35 CYS HB3 1 1 7 6383 1 1 35 CYS N N 2.065 0.248 8.394 1.00 . A A . 35 CYS N 1 1 7 6384 1 1 35 CYS O O 1.326 3.051 9.163 1.00 . A A . 35 CYS O 1 1 7 6385 1 1 35 CYS SG S 0.776 2.858 5.481 1.00 . A A . 35 CYS SG 1 1 7 6386 1 1 36 ASP C C 2.779 5.774 8.804 1.00 . A A . 36 ASP C 1 1 7 6387 1 1 36 ASP CA C 3.669 4.581 9.104 1.00 . A A . 36 ASP CA 1 1 7 6388 1 1 36 ASP CB C 5.175 4.958 8.997 1.00 . A A . 36 ASP CB 1 1 7 6389 1 1 36 ASP CG C 5.718 5.151 7.586 1.00 . A A . 36 ASP CG 1 1 7 6390 1 1 36 ASP H H 4.128 3.087 7.742 1.00 . A A . 36 ASP H 1 1 7 6391 1 1 36 ASP HA H 3.474 4.333 10.140 1.00 . A A . 36 ASP HA 1 1 7 6392 1 1 36 ASP HB2 H 5.364 5.887 9.572 1.00 . A A . 36 ASP HB2 1 1 7 6393 1 1 36 ASP HB3 H 5.771 4.148 9.468 1.00 . A A . 36 ASP HB3 1 1 7 6394 1 1 36 ASP HD2 H 7.324 5.760 6.710 1.00 . A A . 36 ASP HD2 1 1 7 6395 1 1 36 ASP N N 3.365 3.406 8.308 1.00 . A A . 36 ASP N 1 1 7 6396 1 1 36 ASP O O 2.194 6.378 9.701 1.00 . A A . 36 ASP O 1 1 7 6397 1 1 36 ASP OD1 O 5.118 4.988 6.535 1.00 . A A . 36 ASP OD1 1 1 7 6398 1 1 36 ASP OD2 O 7.019 5.557 7.606 1.00 . A A . 36 ASP OD2 1 1 7 6399 1 1 37 LYS C C 0.752 6.652 6.117 1.00 . A A . 37 LYS C 1 1 7 6400 1 1 37 LYS CA C 1.832 7.189 7.020 1.00 . A A . 37 LYS CA 1 1 7 6401 1 1 37 LYS CB C 2.663 8.251 6.289 1.00 . A A . 37 LYS CB 1 1 7 6402 1 1 37 LYS CD C 2.721 10.626 5.377 1.00 . A A . 37 LYS CD 1 1 7 6403 1 1 37 LYS CE C 1.929 11.679 4.601 1.00 . A A . 37 LYS CE 1 1 7 6404 1 1 37 LYS CG C 1.841 9.477 5.877 1.00 . A A . 37 LYS CG 1 1 7 6405 1 1 37 LYS H H 3.212 5.628 6.848 1.00 . A A . 37 LYS H 1 1 7 6406 1 1 37 LYS HA H 1.324 7.672 7.836 1.00 . A A . 37 LYS HA 1 1 7 6407 1 1 37 LYS HB2 H 3.488 8.569 6.957 1.00 . A A . 37 LYS HB2 1 1 7 6408 1 1 37 LYS HB3 H 3.125 7.808 5.389 1.00 . A A . 37 LYS HB3 1 1 7 6409 1 1 37 LYS HD2 H 3.230 11.099 6.247 1.00 . A A . 37 LYS HD2 1 1 7 6410 1 1 37 LYS HD3 H 3.512 10.212 4.712 1.00 . A A . 37 LYS HD3 1 1 7 6411 1 1 37 LYS HE2 H 1.444 11.231 3.710 1.00 . A A . 37 LYS HE2 1 1 7 6412 1 1 37 LYS HE3 H 1.152 12.141 5.242 1.00 . A A . 37 LYS HE3 1 1 7 6413 1 1 37 LYS HG2 H 1.140 9.171 5.071 1.00 . A A . 37 LYS HG2 1 1 7 6414 1 1 37 LYS HG3 H 1.223 9.819 6.734 1.00 . A A . 37 LYS HG3 1 1 7 6415 1 1 37 LYS HZ1 H 3.200 13.268 4.949 1.00 . A A . 37 LYS HZ1 1 1 7 6416 1 1 37 LYS HZ2 H 2.304 13.400 3.513 1.00 . A A . 37 LYS HZ2 1 1 7 6417 1 1 37 LYS HZ3 H 3.618 12.324 3.600 1.00 . A A . 37 LYS HZ3 1 1 7 6418 1 1 37 LYS N N 2.666 6.124 7.516 1.00 . A A . 37 LYS N 1 1 7 6419 1 1 37 LYS NZ N 2.827 12.746 4.129 1.00 . A A . 37 LYS NZ 1 1 7 6420 1 1 37 LYS O O 0.853 6.651 4.888 1.00 . A A . 37 LYS O 1 1 7 6421 1 1 38 CYS C C -2.407 7.249 6.170 1.00 . A A . 38 CYS C 1 1 7 6422 1 1 38 CYS CA C -1.600 5.973 6.108 1.00 . A A . 38 CYS CA 1 1 7 6423 1 1 38 CYS CB C -2.349 4.869 6.883 1.00 . A A . 38 CYS CB 1 1 7 6424 1 1 38 CYS H H -0.364 6.104 7.740 1.00 . A A . 38 CYS H 1 1 7 6425 1 1 38 CYS HA H -1.466 5.716 5.070 1.00 . A A . 38 CYS HA 1 1 7 6426 1 1 38 CYS HB2 H -1.701 3.960 6.887 1.00 . A A . 38 CYS HB2 1 1 7 6427 1 1 38 CYS HB3 H -2.443 5.206 7.946 1.00 . A A . 38 CYS HB3 1 1 7 6428 1 1 38 CYS N N -0.330 6.171 6.741 1.00 . A A . 38 CYS N 1 1 7 6429 1 1 38 CYS O O -2.990 7.559 7.209 1.00 . A A . 38 CYS O 1 1 7 6430 1 1 38 CYS SG S -3.980 4.470 6.177 1.00 . A A . 38 CYS SG 1 1 7 6431 1 1 39 VAL C C -4.780 8.605 4.678 1.00 . A A . 39 VAL C 1 1 7 6432 1 1 39 VAL CA C -3.412 9.146 5.057 1.00 . A A . 39 VAL CA 1 1 7 6433 1 1 39 VAL CB C -2.937 10.290 4.186 1.00 . A A . 39 VAL CB 1 1 7 6434 1 1 39 VAL CG1 C -1.480 10.606 4.525 1.00 . A A . 39 VAL CG1 1 1 7 6435 1 1 39 VAL CG2 C -3.007 9.990 2.704 1.00 . A A . 39 VAL CG2 1 1 7 6436 1 1 39 VAL H H -2.057 7.810 4.203 1.00 . A A . 39 VAL H 1 1 7 6437 1 1 39 VAL HA H -3.468 9.577 6.044 1.00 . A A . 39 VAL HA 1 1 7 6438 1 1 39 VAL HB H -3.551 11.189 4.361 1.00 . A A . 39 VAL HB 1 1 7 6439 1 1 39 VAL HG11 H -1.166 11.507 3.954 1.00 . A A . 39 VAL HG11 1 1 7 6440 1 1 39 VAL HG12 H -0.836 9.757 4.208 1.00 . A A . 39 VAL HG12 1 1 7 6441 1 1 39 VAL HG13 H -1.354 10.785 5.614 1.00 . A A . 39 VAL HG13 1 1 7 6442 1 1 39 VAL HG21 H -4.062 9.946 2.376 1.00 . A A . 39 VAL HG21 1 1 7 6443 1 1 39 VAL HG22 H -2.493 9.028 2.510 1.00 . A A . 39 VAL HG22 1 1 7 6444 1 1 39 VAL HG23 H -2.516 10.830 2.181 1.00 . A A . 39 VAL HG23 1 1 7 6445 1 1 39 VAL N N -2.510 8.016 5.073 1.00 . A A . 39 VAL N 1 1 7 6446 1 1 39 VAL O O -5.003 8.106 3.576 1.00 . A A . 39 VAL O 1 1 7 6447 1 1 40 CYS C C -7.956 9.062 4.878 1.00 . A A . 40 CYS C 1 1 7 6448 1 1 40 CYS CA C -7.031 7.979 5.361 1.00 . A A . 40 CYS CA 1 1 7 6449 1 1 40 CYS CB C -7.511 7.156 6.575 1.00 . A A . 40 CYS CB 1 1 7 6450 1 1 40 CYS H H -5.612 8.950 6.537 1.00 . A A . 40 CYS H 1 1 7 6451 1 1 40 CYS HA H -6.937 7.305 4.547 1.00 . A A . 40 CYS HA 1 1 7 6452 1 1 40 CYS HB2 H -6.572 6.918 7.114 1.00 . A A . 40 CYS HB2 1 1 7 6453 1 1 40 CYS HB3 H -8.117 7.789 7.252 1.00 . A A . 40 CYS HB3 1 1 7 6454 1 1 40 CYS N N -5.733 8.561 5.620 1.00 . A A . 40 CYS N 1 1 7 6455 1 1 40 CYS O O -8.479 9.876 5.638 1.00 . A A . 40 CYS O 1 1 7 6456 1 1 40 CYS SG S -8.259 5.505 6.318 1.00 . A A . 40 CYS SG 1 1 7 6457 1 1 41 ALA C C -10.274 10.268 3.160 1.00 . A A . 41 ALA C 1 1 7 6458 1 1 41 ALA CA C -8.783 10.282 2.934 1.00 . A A . 41 ALA CA 1 1 7 6459 1 1 41 ALA CB C -8.466 10.459 1.447 1.00 . A A . 41 ALA CB 1 1 7 6460 1 1 41 ALA H H -7.627 8.528 2.947 1.00 . A A . 41 ALA H 1 1 7 6461 1 1 41 ALA HA H -8.427 11.185 3.413 1.00 . A A . 41 ALA HA 1 1 7 6462 1 1 41 ALA HB1 H -8.909 9.661 0.827 1.00 . A A . 41 ALA HB1 1 1 7 6463 1 1 41 ALA HB2 H -7.370 10.419 1.304 1.00 . A A . 41 ALA HB2 1 1 7 6464 1 1 41 ALA HB3 H -8.822 11.443 1.070 1.00 . A A . 41 ALA HB3 1 1 7 6465 1 1 41 ALA N N -8.060 9.194 3.548 1.00 . A A . 41 ALA N 1 1 7 6466 1 1 41 ALA O O -10.923 9.227 3.171 1.00 . A A . 41 ALA O 1 1 7 6467 1 1 42 TYR C C -13.211 11.785 2.742 1.00 . A A . 42 TYR C 1 1 7 6468 1 1 42 TYR CA C -12.095 11.924 3.754 1.00 . A A . 42 TYR CA 1 1 7 6469 1 1 42 TYR CB C -11.907 13.444 4.068 1.00 . A A . 42 TYR CB 1 1 7 6470 1 1 42 TYR CD1 C -12.081 14.639 1.839 1.00 . A A . 42 TYR CD1 1 1 7 6471 1 1 42 TYR CD2 C -9.874 14.345 2.780 1.00 . A A . 42 TYR CD2 1 1 7 6472 1 1 42 TYR CE1 C -11.516 15.184 0.682 1.00 . A A . 42 TYR CE1 1 1 7 6473 1 1 42 TYR CE2 C -9.308 14.849 1.601 1.00 . A A . 42 TYR CE2 1 1 7 6474 1 1 42 TYR CG C -11.273 14.195 2.899 1.00 . A A . 42 TYR CG 1 1 7 6475 1 1 42 TYR CZ C -10.130 15.261 0.550 1.00 . A A . 42 TYR CZ 1 1 7 6476 1 1 42 TYR H H -10.224 12.265 3.083 1.00 . A A . 42 TYR H 1 1 7 6477 1 1 42 TYR HA H -12.344 11.349 4.629 1.00 . A A . 42 TYR HA 1 1 7 6478 1 1 42 TYR HB2 H -12.873 13.921 4.345 1.00 . A A . 42 TYR HB2 1 1 7 6479 1 1 42 TYR HB3 H -11.218 13.515 4.930 1.00 . A A . 42 TYR HB3 1 1 7 6480 1 1 42 TYR HD1 H -13.152 14.521 1.882 1.00 . A A . 42 TYR HD1 1 1 7 6481 1 1 42 TYR HD2 H -9.212 14.030 3.576 1.00 . A A . 42 TYR HD2 1 1 7 6482 1 1 42 TYR HE1 H -12.163 15.526 -0.109 1.00 . A A . 42 TYR HE1 1 1 7 6483 1 1 42 TYR HE2 H -8.235 14.919 1.496 1.00 . A A . 42 TYR HE2 1 1 7 6484 1 1 42 TYR HH H -10.236 15.777 -1.329 1.00 . A A . 42 TYR HH 1 1 7 6485 1 1 42 TYR N N -10.817 11.486 3.244 1.00 . A A . 42 TYR N 1 1 7 6486 1 1 42 TYR O O -14.382 12.067 2.988 1.00 . A A . 42 TYR O 1 1 7 6487 1 1 42 TYR OH O -9.554 15.766 -0.632 1.00 . A A . 42 TYR OH 1 1 7 6488 1 1 43 SER C C -14.649 10.287 0.315 1.00 . A A . 43 SER C 1 1 7 6489 1 1 43 SER CA C -13.489 11.239 0.308 1.00 . A A . 43 SER CA 1 1 7 6490 1 1 43 SER CB C -12.492 10.819 -0.796 1.00 . A A . 43 SER CB 1 1 7 6491 1 1 43 SER H H -11.807 11.265 1.500 1.00 . A A . 43 SER H 1 1 7 6492 1 1 43 SER HA H -13.899 12.201 0.047 1.00 . A A . 43 SER HA 1 1 7 6493 1 1 43 SER HB2 H -12.061 9.810 -0.562 1.00 . A A . 43 SER HB2 1 1 7 6494 1 1 43 SER HB3 H -13.022 10.788 -1.779 1.00 . A A . 43 SER HB3 1 1 7 6495 1 1 43 SER HG H -10.634 11.356 -1.211 1.00 . A A . 43 SER HG 1 1 7 6496 1 1 43 SER N N -12.787 11.381 1.553 1.00 . A A . 43 SER N 1 1 7 6497 1 1 43 SER O O -14.897 9.528 1.249 1.00 . A A . 43 SER O 1 1 7 6498 1 1 43 SER OG O -11.444 11.790 -0.865 1.00 . A A . 43 SER OG 1 1 7 6499 1 1 44 ASN C C -16.237 8.292 -1.883 1.00 . A A . 44 ASN C 1 1 7 6500 1 1 44 ASN CA C -16.575 9.518 -1.025 1.00 . A A . 44 ASN CA 1 1 7 6501 1 1 44 ASN CB C -17.686 10.375 -1.680 1.00 . A A . 44 ASN CB 1 1 7 6502 1 1 44 ASN CG C -19.041 9.698 -1.582 1.00 . A A . 44 ASN CG 1 1 7 6503 1 1 44 ASN H H -15.216 11.052 -1.446 1.00 . A A . 44 ASN H 1 1 7 6504 1 1 44 ASN HA H -16.942 9.163 -0.075 1.00 . A A . 44 ASN HA 1 1 7 6505 1 1 44 ASN HB2 H -17.699 11.355 -1.172 1.00 . A A . 44 ASN HB2 1 1 7 6506 1 1 44 ASN HB3 H -17.455 10.573 -2.746 1.00 . A A . 44 ASN HB3 1 1 7 6507 1 1 44 ASN HD21 H -19.552 10.630 0.187 1.00 . A A . 44 ASN HD21 1 1 7 6508 1 1 44 ASN HD22 H -20.588 9.365 -0.315 1.00 . A A . 44 ASN HD22 1 1 7 6509 1 1 44 ASN N N -15.453 10.378 -0.743 1.00 . A A . 44 ASN N 1 1 7 6510 1 1 44 ASN ND2 N -19.809 9.950 -0.501 1.00 . A A . 44 ASN ND2 1 1 7 6511 1 1 44 ASN O O -16.013 8.447 -3.084 1.00 . A A . 44 ASN O 1 1 7 6512 1 1 44 ASN OD1 O -19.433 8.939 -2.471 1.00 . A A . 44 ASN OD1 1 1 7 6513 1 1 45 PRO C C -14.457 6.790 0.307 1.00 . A A . 45 PRO C 1 1 7 6514 1 1 45 PRO CA C -15.950 6.661 -0.026 1.00 . A A . 45 PRO CA 1 1 7 6515 1 1 45 PRO CB C -16.429 5.196 0.008 1.00 . A A . 45 PRO CB 1 1 7 6516 1 1 45 PRO CD C -16.787 5.967 -2.191 1.00 . A A . 45 PRO CD 1 1 7 6517 1 1 45 PRO CG C -17.440 5.092 -1.132 1.00 . A A . 45 PRO CG 1 1 7 6518 1 1 45 PRO HA H -16.507 7.296 0.641 1.00 . A A . 45 PRO HA 1 1 7 6519 1 1 45 PRO HB2 H -15.588 4.509 -0.187 1.00 . A A . 45 PRO HB2 1 1 7 6520 1 1 45 PRO HB3 H -16.844 4.918 0.990 1.00 . A A . 45 PRO HB3 1 1 7 6521 1 1 45 PRO HD2 H -15.945 5.435 -2.689 1.00 . A A . 45 PRO HD2 1 1 7 6522 1 1 45 PRO HD3 H -17.526 6.314 -2.949 1.00 . A A . 45 PRO HD3 1 1 7 6523 1 1 45 PRO HG2 H -17.623 4.054 -1.461 1.00 . A A . 45 PRO HG2 1 1 7 6524 1 1 45 PRO HG3 H -18.406 5.540 -0.814 1.00 . A A . 45 PRO HG3 1 1 7 6525 1 1 45 PRO N N -16.252 7.066 -1.395 1.00 . A A . 45 PRO N 1 1 7 6526 1 1 45 PRO O O -13.720 7.243 -0.576 1.00 . A A . 45 PRO O 1 1 7 6527 1 1 46 PRO C C -11.478 6.159 1.157 1.00 . A A . 46 PRO C 1 1 7 6528 1 1 46 PRO CA C -12.612 6.797 1.923 1.00 . A A . 46 PRO CA 1 1 7 6529 1 1 46 PRO CB C -12.569 6.382 3.391 1.00 . A A . 46 PRO CB 1 1 7 6530 1 1 46 PRO CD C -14.836 6.302 2.690 1.00 . A A . 46 PRO CD 1 1 7 6531 1 1 46 PRO CG C -13.966 6.760 3.859 1.00 . A A . 46 PRO CG 1 1 7 6532 1 1 46 PRO HA H -12.488 7.863 1.818 1.00 . A A . 46 PRO HA 1 1 7 6533 1 1 46 PRO HB2 H -12.414 5.286 3.483 1.00 . A A . 46 PRO HB2 1 1 7 6534 1 1 46 PRO HB3 H -11.773 6.914 3.952 1.00 . A A . 46 PRO HB3 1 1 7 6535 1 1 46 PRO HD2 H -15.077 5.211 2.791 1.00 . A A . 46 PRO HD2 1 1 7 6536 1 1 46 PRO HD3 H -15.751 6.952 2.642 1.00 . A A . 46 PRO HD3 1 1 7 6537 1 1 46 PRO HG2 H -14.245 6.290 4.823 1.00 . A A . 46 PRO HG2 1 1 7 6538 1 1 46 PRO HG3 H -14.020 7.871 3.939 1.00 . A A . 46 PRO HG3 1 1 7 6539 1 1 46 PRO N N -13.976 6.468 1.514 1.00 . A A . 46 PRO N 1 1 7 6540 1 1 46 PRO O O -11.573 5.022 0.702 1.00 . A A . 46 PRO O 1 1 7 6541 1 1 47 GLN C C -7.955 6.671 0.851 1.00 . A A . 47 GLN C 1 1 7 6542 1 1 47 GLN CA C -9.279 6.577 0.130 1.00 . A A . 47 GLN CA 1 1 7 6543 1 1 47 GLN CB C -9.300 7.441 -1.149 1.00 . A A . 47 GLN CB 1 1 7 6544 1 1 47 GLN CD C -10.473 5.633 -2.589 1.00 . A A . 47 GLN CD 1 1 7 6545 1 1 47 GLN CG C -10.469 7.081 -2.095 1.00 . A A . 47 GLN CG 1 1 7 6546 1 1 47 GLN H H -10.344 7.761 1.551 1.00 . A A . 47 GLN H 1 1 7 6547 1 1 47 GLN HA H -9.361 5.539 -0.150 1.00 . A A . 47 GLN HA 1 1 7 6548 1 1 47 GLN HB2 H -9.415 8.506 -0.856 1.00 . A A . 47 GLN HB2 1 1 7 6549 1 1 47 GLN HB3 H -8.336 7.362 -1.692 1.00 . A A . 47 GLN HB3 1 1 7 6550 1 1 47 GLN HE21 H -8.626 5.830 -3.432 1.00 . A A . 47 GLN HE21 1 1 7 6551 1 1 47 GLN HE22 H -9.321 4.239 -3.485 1.00 . A A . 47 GLN HE22 1 1 7 6552 1 1 47 GLN HG2 H -11.419 7.240 -1.541 1.00 . A A . 47 GLN HG2 1 1 7 6553 1 1 47 GLN HG3 H -10.459 7.749 -2.979 1.00 . A A . 47 GLN HG3 1 1 7 6554 1 1 47 GLN N N -10.378 6.917 1.016 1.00 . A A . 47 GLN N 1 1 7 6555 1 1 47 GLN NE2 N -9.356 5.194 -3.203 1.00 . A A . 47 GLN NE2 1 1 7 6556 1 1 47 GLN O O -7.229 7.660 0.837 1.00 . A A . 47 GLN O 1 1 7 6557 1 1 47 GLN OE1 O -11.463 4.904 -2.486 1.00 . A A . 47 GLN OE1 1 1 7 6558 1 1 48 CYS C C -5.254 5.004 1.795 1.00 . A A . 48 CYS C 1 1 7 6559 1 1 48 CYS CA C -6.539 5.419 2.466 1.00 . A A . 48 CYS CA 1 1 7 6560 1 1 48 CYS CB C -6.960 4.586 3.684 1.00 . A A . 48 CYS CB 1 1 7 6561 1 1 48 CYS H H -8.204 4.775 1.435 1.00 . A A . 48 CYS H 1 1 7 6562 1 1 48 CYS HA H -6.299 6.387 2.849 1.00 . A A . 48 CYS HA 1 1 7 6563 1 1 48 CYS HB2 H -7.097 3.534 3.358 1.00 . A A . 48 CYS HB2 1 1 7 6564 1 1 48 CYS HB3 H -6.162 4.636 4.451 1.00 . A A . 48 CYS HB3 1 1 7 6565 1 1 48 CYS N N -7.664 5.613 1.594 1.00 . A A . 48 CYS N 1 1 7 6566 1 1 48 CYS O O -5.200 3.973 1.117 1.00 . A A . 48 CYS O 1 1 7 6567 1 1 48 CYS SG S -8.546 5.229 4.337 1.00 . A A . 48 CYS SG 1 1 7 6568 1 1 49 GLN C C -1.725 5.622 2.077 1.00 . A A . 49 GLN C 1 1 7 6569 1 1 49 GLN CA C -2.967 5.709 1.221 1.00 . A A . 49 GLN CA 1 1 7 6570 1 1 49 GLN CB C -2.835 6.937 0.295 1.00 . A A . 49 GLN CB 1 1 7 6571 1 1 49 GLN CD C -1.169 5.923 -1.368 1.00 . A A . 49 GLN CD 1 1 7 6572 1 1 49 GLN CG C -2.522 6.597 -1.169 1.00 . A A . 49 GLN CG 1 1 7 6573 1 1 49 GLN H H -4.291 6.660 2.501 1.00 . A A . 49 GLN H 1 1 7 6574 1 1 49 GLN HA H -2.999 4.815 0.627 1.00 . A A . 49 GLN HA 1 1 7 6575 1 1 49 GLN HB2 H -3.836 7.424 0.292 1.00 . A A . 49 GLN HB2 1 1 7 6576 1 1 49 GLN HB3 H -2.098 7.677 0.669 1.00 . A A . 49 GLN HB3 1 1 7 6577 1 1 49 GLN HE21 H -2.073 4.112 -1.254 1.00 . A A . 49 GLN HE21 1 1 7 6578 1 1 49 GLN HE22 H -0.338 4.061 -1.316 1.00 . A A . 49 GLN HE22 1 1 7 6579 1 1 49 GLN HG2 H -3.328 5.912 -1.491 1.00 . A A . 49 GLN HG2 1 1 7 6580 1 1 49 GLN HG3 H -2.551 7.514 -1.787 1.00 . A A . 49 GLN HG3 1 1 7 6581 1 1 49 GLN N N -4.199 5.822 1.962 1.00 . A A . 49 GLN N 1 1 7 6582 1 1 49 GLN NE2 N -1.193 4.579 -1.298 1.00 . A A . 49 GLN NE2 1 1 7 6583 1 1 49 GLN O O -1.415 6.532 2.844 1.00 . A A . 49 GLN O 1 1 7 6584 1 1 49 GLN OE1 O -0.131 6.554 -1.572 1.00 . A A . 49 GLN OE1 1 1 7 6585 1 1 50 CYS C C 1.417 5.191 1.651 1.00 . A A . 50 CYS C 1 1 7 6586 1 1 50 CYS CA C 0.400 4.396 2.444 1.00 . A A . 50 CYS CA 1 1 7 6587 1 1 50 CYS CB C 0.829 2.908 2.493 1.00 . A A . 50 CYS CB 1 1 7 6588 1 1 50 CYS H H -1.291 3.793 1.328 1.00 . A A . 50 CYS H 1 1 7 6589 1 1 50 CYS HA H 0.419 4.825 3.436 1.00 . A A . 50 CYS HA 1 1 7 6590 1 1 50 CYS HB2 H 0.622 2.435 1.509 1.00 . A A . 50 CYS HB2 1 1 7 6591 1 1 50 CYS HB3 H 1.918 2.821 2.660 1.00 . A A . 50 CYS HB3 1 1 7 6592 1 1 50 CYS N N -0.945 4.542 1.908 1.00 . A A . 50 CYS N 1 1 7 6593 1 1 50 CYS O O 2.176 4.655 0.852 1.00 . A A . 50 CYS O 1 1 7 6594 1 1 50 CYS SG S -0.040 2.033 3.821 1.00 . A A . 50 CYS SG 1 1 7 6595 1 1 51 TYR C C 3.618 7.377 0.981 1.00 . A A . 51 TYR C 1 1 7 6596 1 1 51 TYR CA C 2.133 7.580 1.212 1.00 . A A . 51 TYR CA 1 1 7 6597 1 1 51 TYR CB C 1.963 8.893 2.021 1.00 . A A . 51 TYR CB 1 1 7 6598 1 1 51 TYR CD1 C 0.207 10.263 0.934 1.00 . A A . 51 TYR CD1 1 1 7 6599 1 1 51 TYR CD2 C 2.500 10.901 0.543 1.00 . A A . 51 TYR CD2 1 1 7 6600 1 1 51 TYR CE1 C -0.230 11.376 0.220 1.00 . A A . 51 TYR CE1 1 1 7 6601 1 1 51 TYR CE2 C 2.062 12.004 -0.202 1.00 . A A . 51 TYR CE2 1 1 7 6602 1 1 51 TYR CG C 1.569 10.033 1.138 1.00 . A A . 51 TYR CG 1 1 7 6603 1 1 51 TYR CZ C 0.694 12.267 -0.329 1.00 . A A . 51 TYR CZ 1 1 7 6604 1 1 51 TYR H H 0.848 6.784 2.675 1.00 . A A . 51 TYR H 1 1 7 6605 1 1 51 TYR HA H 1.672 7.665 0.241 1.00 . A A . 51 TYR HA 1 1 7 6606 1 1 51 TYR HB2 H 1.163 8.777 2.776 1.00 . A A . 51 TYR HB2 1 1 7 6607 1 1 51 TYR HB3 H 2.860 9.186 2.598 1.00 . A A . 51 TYR HB3 1 1 7 6608 1 1 51 TYR HD1 H -0.512 9.581 1.349 1.00 . A A . 51 TYR HD1 1 1 7 6609 1 1 51 TYR HD2 H 3.565 10.758 0.648 1.00 . A A . 51 TYR HD2 1 1 7 6610 1 1 51 TYR HE1 H -1.284 11.530 0.096 1.00 . A A . 51 TYR HE1 1 1 7 6611 1 1 51 TYR HE2 H 2.800 12.664 -0.627 1.00 . A A . 51 TYR HE2 1 1 7 6612 1 1 51 TYR HH H -0.635 13.647 -0.522 1.00 . A A . 51 TYR HH 1 1 7 6613 1 1 51 TYR N N 1.426 6.509 1.905 1.00 . A A . 51 TYR N 1 1 7 6614 1 1 51 TYR O O 4.176 7.612 -0.087 1.00 . A A . 51 TYR O 1 1 7 6615 1 1 51 TYR OH O 0.232 13.454 -0.930 1.00 . A A . 51 TYR OH 1 1 7 6616 1 1 52 ASP C C 6.573 6.172 1.815 1.00 . A A . 52 ASP C 1 1 7 6617 1 1 52 ASP CA C 5.651 7.227 2.419 1.00 . A A . 52 ASP CA 1 1 7 6618 1 1 52 ASP CB C 5.704 7.309 3.981 1.00 . A A . 52 ASP CB 1 1 7 6619 1 1 52 ASP CG C 7.067 7.389 4.637 1.00 . A A . 52 ASP CG 1 1 7 6620 1 1 52 ASP H H 3.610 6.708 2.791 1.00 . A A . 52 ASP H 1 1 7 6621 1 1 52 ASP HA H 5.974 8.167 1.993 1.00 . A A . 52 ASP HA 1 1 7 6622 1 1 52 ASP HB2 H 5.121 8.194 4.315 1.00 . A A . 52 ASP HB2 1 1 7 6623 1 1 52 ASP HB3 H 5.235 6.396 4.410 1.00 . A A . 52 ASP HB3 1 1 7 6624 1 1 52 ASP HD2 H 7.003 9.304 4.263 1.00 . A A . 52 ASP HD2 1 1 7 6625 1 1 52 ASP N N 4.252 7.020 2.097 1.00 . A A . 52 ASP N 1 1 7 6626 1 1 52 ASP O O 6.168 5.078 1.447 1.00 . A A . 52 ASP O 1 1 7 6627 1 1 52 ASP OD1 O 7.639 6.438 5.133 1.00 . A A . 52 ASP OD1 1 1 7 6628 1 1 52 ASP OD2 O 7.578 8.653 4.694 1.00 . A A . 52 ASP OD2 1 1 7 6629 1 1 53 THR C C 9.190 4.548 2.565 1.00 . A A . 53 THR C 1 1 7 6630 1 1 53 THR CA C 8.902 5.473 1.397 1.00 . A A . 53 THR CA 1 1 7 6631 1 1 53 THR CB C 10.224 6.076 0.949 1.00 . A A . 53 THR CB 1 1 7 6632 1 1 53 THR CG2 C 10.037 6.642 -0.461 1.00 . A A . 53 THR CG2 1 1 7 6633 1 1 53 THR H H 8.197 7.391 1.930 1.00 . A A . 53 THR H 1 1 7 6634 1 1 53 THR HA H 8.532 4.854 0.595 1.00 . A A . 53 THR HA 1 1 7 6635 1 1 53 THR HB H 11.009 5.289 0.920 1.00 . A A . 53 THR HB 1 1 7 6636 1 1 53 THR HG1 H 11.056 6.729 2.578 1.00 . A A . 53 THR HG1 1 1 7 6637 1 1 53 THR HG21 H 9.739 5.827 -1.154 1.00 . A A . 53 THR HG21 1 1 7 6638 1 1 53 THR HG22 H 10.989 7.078 -0.836 1.00 . A A . 53 THR HG22 1 1 7 6639 1 1 53 THR HG23 H 9.255 7.428 -0.479 1.00 . A A . 53 THR HG23 1 1 7 6640 1 1 53 THR N N 7.879 6.463 1.729 1.00 . A A . 53 THR N 1 1 7 6641 1 1 53 THR O O 9.825 4.928 3.546 1.00 . A A . 53 THR O 1 1 7 6642 1 1 53 THR OG1 O 10.666 7.146 1.776 1.00 . A A . 53 THR OG1 1 1 7 6643 1 1 54 HIS C C 8.894 0.917 3.399 1.00 . A A . 54 HIS C 1 1 7 6644 1 1 54 HIS CA C 8.785 2.405 3.660 1.00 . A A . 54 HIS CA 1 1 7 6645 1 1 54 HIS CB C 7.718 2.650 4.767 1.00 . A A . 54 HIS CB 1 1 7 6646 1 1 54 HIS CD2 C 5.248 1.841 5.019 1.00 . A A . 54 HIS CD2 1 1 7 6647 1 1 54 HIS CE1 C 4.394 3.187 3.535 1.00 . A A . 54 HIS CE1 1 1 7 6648 1 1 54 HIS CG C 6.262 2.522 4.435 1.00 . A A . 54 HIS CG 1 1 7 6649 1 1 54 HIS H H 8.229 3.020 1.676 1.00 . A A . 54 HIS H 1 1 7 6650 1 1 54 HIS HA H 9.742 2.617 4.112 1.00 . A A . 54 HIS HA 1 1 7 6651 1 1 54 HIS HB2 H 7.922 1.991 5.634 1.00 . A A . 54 HIS HB2 1 1 7 6652 1 1 54 HIS HB3 H 7.831 3.709 5.080 1.00 . A A . 54 HIS HB3 1 1 7 6653 1 1 54 HIS HD1 H 6.185 4.040 2.985 1.00 . A A . 54 HIS HD1 1 1 7 6654 1 1 54 HIS HD2 H 5.265 1.131 5.834 1.00 . A A . 54 HIS HD2 1 1 7 6655 1 1 54 HIS HE1 H 3.727 3.748 2.921 1.00 . A A . 54 HIS HE1 1 1 7 6656 1 1 54 HIS HE2 H 3.161 1.972 4.677 1.00 . A A . 54 HIS HE2 1 1 7 6657 1 1 54 HIS N N 8.652 3.316 2.530 1.00 . A A . 54 HIS N 1 1 7 6658 1 1 54 HIS ND1 N 5.698 3.354 3.525 1.00 . A A . 54 HIS ND1 1 1 7 6659 1 1 54 HIS NE2 N 4.085 2.268 4.433 1.00 . A A . 54 HIS NE2 1 1 7 6660 1 1 54 HIS O O 9.525 0.209 4.178 1.00 . A A . 54 HIS O 1 1 7 6661 1 1 55 LYS C C 7.691 -1.666 1.112 1.00 . A A . 55 LYS C 1 1 7 6662 1 1 55 LYS CA C 7.654 -0.942 2.445 1.00 . A A . 55 LYS CA 1 1 7 6663 1 1 55 LYS CB C 6.208 -0.648 2.874 1.00 . A A . 55 LYS CB 1 1 7 6664 1 1 55 LYS CD C 4.435 -2.198 1.908 1.00 . A A . 55 LYS CD 1 1 7 6665 1 1 55 LYS CE C 3.475 -3.339 2.209 1.00 . A A . 55 LYS CE 1 1 7 6666 1 1 55 LYS CG C 5.275 -1.823 3.132 1.00 . A A . 55 LYS CG 1 1 7 6667 1 1 55 LYS H H 7.774 0.937 1.681 1.00 . A A . 55 LYS H 1 1 7 6668 1 1 55 LYS HA H 8.173 -1.539 3.175 1.00 . A A . 55 LYS HA 1 1 7 6669 1 1 55 LYS HB2 H 6.308 -0.101 3.832 1.00 . A A . 55 LYS HB2 1 1 7 6670 1 1 55 LYS HB3 H 5.748 0.060 2.154 1.00 . A A . 55 LYS HB3 1 1 7 6671 1 1 55 LYS HD2 H 3.882 -1.317 1.522 1.00 . A A . 55 LYS HD2 1 1 7 6672 1 1 55 LYS HD3 H 5.120 -2.538 1.100 1.00 . A A . 55 LYS HD3 1 1 7 6673 1 1 55 LYS HE2 H 3.002 -3.738 1.290 1.00 . A A . 55 LYS HE2 1 1 7 6674 1 1 55 LYS HE3 H 4.061 -4.141 2.699 1.00 . A A . 55 LYS HE3 1 1 7 6675 1 1 55 LYS HG2 H 5.863 -2.696 3.495 1.00 . A A . 55 LYS HG2 1 1 7 6676 1 1 55 LYS HG3 H 4.590 -1.517 3.956 1.00 . A A . 55 LYS HG3 1 1 7 6677 1 1 55 LYS HZ1 H 1.819 -2.181 2.681 1.00 . A A . 55 LYS HZ1 1 1 7 6678 1 1 55 LYS HZ2 H 2.827 -2.526 4.004 1.00 . A A . 55 LYS HZ2 1 1 7 6679 1 1 55 LYS HZ3 H 1.804 -3.728 3.379 1.00 . A A . 55 LYS HZ3 1 1 7 6680 1 1 55 LYS N N 8.204 0.387 2.381 1.00 . A A . 55 LYS N 1 1 7 6681 1 1 55 LYS NZ N 2.402 -2.912 3.137 1.00 . A A . 55 LYS NZ 1 1 7 6682 1 1 55 LYS O O 7.155 -1.161 0.129 1.00 . A A . 55 LYS O 1 1 7 6683 1 1 56 PHE C C 7.281 -4.159 -0.884 1.00 . A A . 56 PHE C 1 1 7 6684 1 1 56 PHE CA C 8.530 -3.529 -0.263 1.00 . A A . 56 PHE CA 1 1 7 6685 1 1 56 PHE CB C 9.766 -4.484 -0.277 1.00 . A A . 56 PHE CB 1 1 7 6686 1 1 56 PHE CD1 C 8.836 -6.769 0.363 1.00 . A A . 56 PHE CD1 1 1 7 6687 1 1 56 PHE CD2 C 10.527 -5.764 1.763 1.00 . A A . 56 PHE CD2 1 1 7 6688 1 1 56 PHE CE1 C 8.839 -7.910 1.172 1.00 . A A . 56 PHE CE1 1 1 7 6689 1 1 56 PHE CE2 C 10.542 -6.907 2.569 1.00 . A A . 56 PHE CE2 1 1 7 6690 1 1 56 PHE CG C 9.680 -5.678 0.646 1.00 . A A . 56 PHE CG 1 1 7 6691 1 1 56 PHE CZ C 9.694 -7.980 2.277 1.00 . A A . 56 PHE CZ 1 1 7 6692 1 1 56 PHE H H 8.690 -3.306 1.837 1.00 . A A . 56 PHE H 1 1 7 6693 1 1 56 PHE HA H 8.808 -2.761 -0.965 1.00 . A A . 56 PHE HA 1 1 7 6694 1 1 56 PHE HB2 H 9.950 -4.873 -1.300 1.00 . A A . 56 PHE HB2 1 1 7 6695 1 1 56 PHE HB3 H 10.670 -3.892 -0.009 1.00 . A A . 56 PHE HB3 1 1 7 6696 1 1 56 PHE HD1 H 8.180 -6.752 -0.491 1.00 . A A . 56 PHE HD1 1 1 7 6697 1 1 56 PHE HD2 H 11.189 -4.946 2.005 1.00 . A A . 56 PHE HD2 1 1 7 6698 1 1 56 PHE HE1 H 8.165 -8.726 0.952 1.00 . A A . 56 PHE HE1 1 1 7 6699 1 1 56 PHE HE2 H 11.204 -6.949 3.421 1.00 . A A . 56 PHE HE2 1 1 7 6700 1 1 56 PHE HZ H 9.687 -8.855 2.909 1.00 . A A . 56 PHE HZ 1 1 7 6701 1 1 56 PHE N N 8.317 -2.862 1.022 1.00 . A A . 56 PHE N 1 1 7 6702 1 1 56 PHE O O 6.190 -4.172 -0.316 1.00 . A A . 56 PHE O 1 1 7 6703 1 1 57 CYS C C 5.874 -6.654 -2.287 1.00 . A A . 57 CYS C 1 1 7 6704 1 1 57 CYS CA C 6.263 -5.284 -2.808 1.00 . A A . 57 CYS CA 1 1 7 6705 1 1 57 CYS CB C 6.483 -5.343 -4.334 1.00 . A A . 57 CYS CB 1 1 7 6706 1 1 57 CYS H H 8.262 -4.659 -2.620 1.00 . A A . 57 CYS H 1 1 7 6707 1 1 57 CYS HA H 5.412 -4.644 -2.629 1.00 . A A . 57 CYS HA 1 1 7 6708 1 1 57 CYS HB2 H 6.836 -4.340 -4.657 1.00 . A A . 57 CYS HB2 1 1 7 6709 1 1 57 CYS HB3 H 7.296 -6.064 -4.563 1.00 . A A . 57 CYS HB3 1 1 7 6710 1 1 57 CYS N N 7.393 -4.694 -2.116 1.00 . A A . 57 CYS N 1 1 7 6711 1 1 57 CYS O O 6.330 -7.707 -2.738 1.00 . A A . 57 CYS O 1 1 7 6712 1 1 57 CYS SG S 4.992 -5.769 -5.286 1.00 . A A . 57 CYS SG 1 1 7 6713 1 1 58 TYR C C 3.195 -8.279 -1.712 1.00 . A A . 58 TYR C 1 1 7 6714 1 1 58 TYR CA C 4.275 -7.781 -0.778 1.00 . A A . 58 TYR CA 1 1 7 6715 1 1 58 TYR CB C 3.612 -7.451 0.577 1.00 . A A . 58 TYR CB 1 1 7 6716 1 1 58 TYR CD1 C 5.481 -6.564 2.068 1.00 . A A . 58 TYR CD1 1 1 7 6717 1 1 58 TYR CD2 C 4.707 -8.831 2.359 1.00 . A A . 58 TYR CD2 1 1 7 6718 1 1 58 TYR CE1 C 6.360 -6.727 3.148 1.00 . A A . 58 TYR CE1 1 1 7 6719 1 1 58 TYR CE2 C 5.593 -9.004 3.423 1.00 . A A . 58 TYR CE2 1 1 7 6720 1 1 58 TYR CG C 4.618 -7.606 1.682 1.00 . A A . 58 TYR CG 1 1 7 6721 1 1 58 TYR CZ C 6.406 -7.946 3.833 1.00 . A A . 58 TYR CZ 1 1 7 6722 1 1 58 TYR H H 4.719 -5.726 -0.965 1.00 . A A . 58 TYR H 1 1 7 6723 1 1 58 TYR HA H 4.972 -8.603 -0.650 1.00 . A A . 58 TYR HA 1 1 7 6724 1 1 58 TYR HB2 H 3.197 -6.426 0.584 1.00 . A A . 58 TYR HB2 1 1 7 6725 1 1 58 TYR HB3 H 2.761 -8.134 0.784 1.00 . A A . 58 TYR HB3 1 1 7 6726 1 1 58 TYR HD1 H 5.470 -5.614 1.565 1.00 . A A . 58 TYR HD1 1 1 7 6727 1 1 58 TYR HD2 H 4.095 -9.671 2.075 1.00 . A A . 58 TYR HD2 1 1 7 6728 1 1 58 TYR HE1 H 6.990 -5.900 3.436 1.00 . A A . 58 TYR HE1 1 1 7 6729 1 1 58 TYR HE2 H 5.606 -9.958 3.922 1.00 . A A . 58 TYR HE2 1 1 7 6730 1 1 58 TYR HH H 7.329 -9.072 5.109 1.00 . A A . 58 TYR HH 1 1 7 6731 1 1 58 TYR N N 4.956 -6.627 -1.319 1.00 . A A . 58 TYR N 1 1 7 6732 1 1 58 TYR O O 2.740 -7.595 -2.627 1.00 . A A . 58 TYR O 1 1 7 6733 1 1 58 TYR OH O 7.231 -8.109 4.960 1.00 . A A . 58 TYR OH 1 1 7 6734 1 1 59 LYS C C 0.290 -9.425 -1.875 1.00 . A A . 59 LYS C 1 1 7 6735 1 1 59 LYS CA C 1.612 -10.180 -2.030 1.00 . A A . 59 LYS CA 1 1 7 6736 1 1 59 LYS CB C 1.551 -11.650 -1.559 1.00 . A A . 59 LYS CB 1 1 7 6737 1 1 59 LYS CD C 2.814 -13.904 -1.759 1.00 . A A . 59 LYS CD 1 1 7 6738 1 1 59 LYS CE C 4.206 -14.540 -1.609 1.00 . A A . 59 LYS CE 1 1 7 6739 1 1 59 LYS CG C 2.887 -12.375 -1.806 1.00 . A A . 59 LYS CG 1 1 7 6740 1 1 59 LYS H H 3.225 -10.028 -0.756 1.00 . A A . 59 LYS H 1 1 7 6741 1 1 59 LYS HA H 1.771 -10.225 -3.097 1.00 . A A . 59 LYS HA 1 1 7 6742 1 1 59 LYS HB2 H 1.320 -11.680 -0.474 1.00 . A A . 59 LYS HB2 1 1 7 6743 1 1 59 LYS HB3 H 0.740 -12.171 -2.113 1.00 . A A . 59 LYS HB3 1 1 7 6744 1 1 59 LYS HD2 H 2.199 -14.219 -0.886 1.00 . A A . 59 LYS HD2 1 1 7 6745 1 1 59 LYS HD3 H 2.320 -14.286 -2.680 1.00 . A A . 59 LYS HD3 1 1 7 6746 1 1 59 LYS HE2 H 4.649 -14.235 -0.637 1.00 . A A . 59 LYS HE2 1 1 7 6747 1 1 59 LYS HE3 H 4.141 -15.644 -1.655 1.00 . A A . 59 LYS HE3 1 1 7 6748 1 1 59 LYS HG2 H 3.292 -12.072 -2.800 1.00 . A A . 59 LYS HG2 1 1 7 6749 1 1 59 LYS HG3 H 3.631 -12.072 -1.034 1.00 . A A . 59 LYS HG3 1 1 7 6750 1 1 59 LYS HZ1 H 4.772 -14.409 -3.601 1.00 . A A . 59 LYS HZ1 1 1 7 6751 1 1 59 LYS HZ2 H 6.071 -14.523 -2.510 1.00 . A A . 59 LYS HZ2 1 1 7 6752 1 1 59 LYS HZ3 H 5.214 -13.064 -2.658 1.00 . A A . 59 LYS HZ3 1 1 7 6753 1 1 59 LYS N N 2.790 -9.533 -1.496 1.00 . A A . 59 LYS N 1 1 7 6754 1 1 59 LYS NZ N 5.134 -14.101 -2.676 1.00 . A A . 59 LYS NZ 1 1 7 6755 1 1 59 LYS O O 0.158 -8.500 -1.073 1.00 . A A . 59 LYS O 1 1 7 6756 1 1 60 ALA C C -2.817 -8.794 -1.557 1.00 . A A . 60 ALA C 1 1 7 6757 1 1 60 ALA CA C -2.011 -9.164 -2.806 1.00 . A A . 60 ALA CA 1 1 7 6758 1 1 60 ALA CB C -2.875 -10.047 -3.721 1.00 . A A . 60 ALA CB 1 1 7 6759 1 1 60 ALA H H -0.548 -10.548 -3.332 1.00 . A A . 60 ALA H 1 1 7 6760 1 1 60 ALA HA H -1.834 -8.230 -3.311 1.00 . A A . 60 ALA HA 1 1 7 6761 1 1 60 ALA HB1 H -2.345 -10.221 -4.683 1.00 . A A . 60 ALA HB1 1 1 7 6762 1 1 60 ALA HB2 H -3.855 -9.573 -3.940 1.00 . A A . 60 ALA HB2 1 1 7 6763 1 1 60 ALA HB3 H -3.050 -11.037 -3.247 1.00 . A A . 60 ALA HB3 1 1 7 6764 1 1 60 ALA N N -0.720 -9.811 -2.669 1.00 . A A . 60 ALA N 1 1 7 6765 1 1 60 ALA O O -2.689 -9.363 -0.472 1.00 . A A . 60 ALA O 1 1 7 6766 1 1 61 CYS C C -6.090 -7.575 -1.106 1.00 . A A . 61 CYS C 1 1 7 6767 1 1 61 CYS CA C -4.649 -7.339 -0.710 1.00 . A A . 61 CYS CA 1 1 7 6768 1 1 61 CYS CB C -4.425 -5.843 -0.385 1.00 . A A . 61 CYS CB 1 1 7 6769 1 1 61 CYS H H -3.798 -7.370 -2.619 1.00 . A A . 61 CYS H 1 1 7 6770 1 1 61 CYS HA H -4.515 -7.941 0.173 1.00 . A A . 61 CYS HA 1 1 7 6771 1 1 61 CYS HB2 H -3.347 -5.629 -0.552 1.00 . A A . 61 CYS HB2 1 1 7 6772 1 1 61 CYS HB3 H -4.986 -5.196 -1.095 1.00 . A A . 61 CYS HB3 1 1 7 6773 1 1 61 CYS N N -3.721 -7.806 -1.720 1.00 . A A . 61 CYS N 1 1 7 6774 1 1 61 CYS O O -6.932 -6.682 -1.132 1.00 . A A . 61 CYS O 1 1 7 6775 1 1 61 CYS SG S -4.860 -5.501 1.354 1.00 . A A . 61 CYS SG 1 1 7 6776 1 1 62 HIS C C -8.299 -9.983 -0.423 1.00 . A A . 62 HIS C 1 1 7 6777 1 1 62 HIS CA C -7.765 -9.299 -1.662 1.00 . A A . 62 HIS CA 1 1 7 6778 1 1 62 HIS CB C -7.786 -10.284 -2.841 1.00 . A A . 62 HIS CB 1 1 7 6779 1 1 62 HIS CD2 C -8.345 -9.881 -5.328 1.00 . A A . 62 HIS CD2 1 1 7 6780 1 1 62 HIS CE1 C -7.137 -8.093 -5.644 1.00 . A A . 62 HIS CE1 1 1 7 6781 1 1 62 HIS CG C -7.711 -9.595 -4.171 1.00 . A A . 62 HIS CG 1 1 7 6782 1 1 62 HIS H H -5.695 -9.535 -1.382 1.00 . A A . 62 HIS H 1 1 7 6783 1 1 62 HIS HA H -8.419 -8.478 -1.906 1.00 . A A . 62 HIS HA 1 1 7 6784 1 1 62 HIS HB2 H -6.949 -11.003 -2.749 1.00 . A A . 62 HIS HB2 1 1 7 6785 1 1 62 HIS HB3 H -8.726 -10.864 -2.835 1.00 . A A . 62 HIS HB3 1 1 7 6786 1 1 62 HIS HD1 H -6.408 -7.992 -3.713 1.00 . A A . 62 HIS HD1 1 1 7 6787 1 1 62 HIS HD2 H -9.035 -10.683 -5.552 1.00 . A A . 62 HIS HD2 1 1 7 6788 1 1 62 HIS HE1 H -6.677 -7.241 -6.093 1.00 . A A . 62 HIS HE1 1 1 7 6789 1 1 62 HIS HE2 H -8.255 -8.887 -7.197 1.00 . A A . 62 HIS HE2 1 1 7 6790 1 1 62 HIS N N -6.417 -8.832 -1.401 1.00 . A A . 62 HIS N 1 1 7 6791 1 1 62 HIS ND1 N -6.963 -8.471 -4.392 1.00 . A A . 62 HIS ND1 1 1 7 6792 1 1 62 HIS NE2 N -7.966 -8.936 -6.238 1.00 . A A . 62 HIS NE2 1 1 7 6793 1 1 62 HIS O O -7.964 -11.127 -0.139 1.00 . A A . 62 HIS O 1 1 7 6794 1 1 63 ASN C C -10.472 -10.957 1.604 1.00 . A A . 63 ASN C 1 1 7 6795 1 1 63 ASN CA C -9.585 -9.722 1.674 1.00 . A A . 63 ASN CA 1 1 7 6796 1 1 63 ASN CB C -10.274 -8.593 2.485 1.00 . A A . 63 ASN CB 1 1 7 6797 1 1 63 ASN CG C -9.442 -7.317 2.514 1.00 . A A . 63 ASN CG 1 1 7 6798 1 1 63 ASN H H -9.464 -8.389 0.074 1.00 . A A . 63 ASN H 1 1 7 6799 1 1 63 ASN HA H -8.712 -10.027 2.219 1.00 . A A . 63 ASN HA 1 1 7 6800 1 1 63 ASN HB2 H -11.242 -8.317 2.030 1.00 . A A . 63 ASN HB2 1 1 7 6801 1 1 63 ASN HB3 H -10.474 -8.929 3.522 1.00 . A A . 63 ASN HB3 1 1 7 6802 1 1 63 ASN HD21 H -8.067 -8.067 3.840 1.00 . A A . 63 ASN HD21 1 1 7 6803 1 1 63 ASN HD22 H -7.936 -6.382 3.436 1.00 . A A . 63 ASN HD22 1 1 7 6804 1 1 63 ASN N N -9.108 -9.269 0.381 1.00 . A A . 63 ASN N 1 1 7 6805 1 1 63 ASN ND2 N -8.351 -7.276 3.298 1.00 . A A . 63 ASN ND2 1 1 7 6806 1 1 63 ASN O O -10.117 -12.043 2.047 1.00 . A A . 63 ASN O 1 1 7 6807 1 1 63 ASN OD1 O -9.785 -6.345 1.836 1.00 . A A . 63 ASN OD1 1 1 7 6808 1 1 64 SER C C -13.271 -11.897 -0.406 1.00 . A A . 64 SER C 1 1 7 6809 1 1 64 SER CA C -12.701 -11.826 0.996 1.00 . A A . 64 SER CA 1 1 7 6810 1 1 64 SER CB C -13.825 -11.525 2.027 1.00 . A A . 64 SER CB 1 1 7 6811 1 1 64 SER H H -11.873 -9.908 0.614 1.00 . A A . 64 SER H 1 1 7 6812 1 1 64 SER HA H -12.277 -12.797 1.218 1.00 . A A . 64 SER HA 1 1 7 6813 1 1 64 SER HB2 H -13.350 -11.442 3.032 1.00 . A A . 64 SER HB2 1 1 7 6814 1 1 64 SER HB3 H -14.284 -10.536 1.797 1.00 . A A . 64 SER HB3 1 1 7 6815 1 1 64 SER HG H -15.600 -12.187 1.598 1.00 . A A . 64 SER HG 1 1 7 6816 1 1 64 SER N N -11.670 -10.799 1.035 1.00 . A A . 64 SER N 1 1 7 6817 1 1 64 SER O O -14.385 -11.456 -0.690 1.00 . A A . 64 SER O 1 1 7 6818 1 1 64 SER OG O -14.828 -12.546 2.082 1.00 . A A . 64 SER OG 1 1 7 6819 1 1 65 GLU C C -14.140 -13.566 -2.905 1.00 . A A . 65 GLU C 1 1 7 6820 1 1 65 GLU CA C -12.915 -12.688 -2.740 1.00 . A A . 65 GLU CA 1 1 7 6821 1 1 65 GLU CB C -11.767 -13.177 -3.659 1.00 . A A . 65 GLU CB 1 1 7 6822 1 1 65 GLU CD C -10.349 -14.589 -2.092 1.00 . A A . 65 GLU CD 1 1 7 6823 1 1 65 GLU CG C -11.172 -14.574 -3.363 1.00 . A A . 65 GLU CG 1 1 7 6824 1 1 65 GLU H H -11.574 -12.737 -1.135 1.00 . A A . 65 GLU H 1 1 7 6825 1 1 65 GLU HA H -13.228 -11.734 -3.125 1.00 . A A . 65 GLU HA 1 1 7 6826 1 1 65 GLU HB2 H -12.143 -13.185 -4.706 1.00 . A A . 65 GLU HB2 1 1 7 6827 1 1 65 GLU HB3 H -10.962 -12.415 -3.629 1.00 . A A . 65 GLU HB3 1 1 7 6828 1 1 65 GLU HE2 H -9.020 -13.644 -3.147 1.00 . A A . 65 GLU HE2 1 1 7 6829 1 1 65 GLU HG2 H -11.975 -15.334 -3.266 1.00 . A A . 65 GLU HG2 1 1 7 6830 1 1 65 GLU HG3 H -10.517 -14.892 -4.202 1.00 . A A . 65 GLU HG3 1 1 7 6831 1 1 65 GLU N N -12.492 -12.433 -1.368 1.00 . A A . 65 GLU N 1 1 7 6832 1 1 65 GLU O O -14.887 -13.447 -3.877 1.00 . A A . 65 GLU O 1 1 7 6833 1 1 65 GLU OE1 O -10.693 -15.102 -1.047 1.00 . A A . 65 GLU OE1 1 1 7 6834 1 1 65 GLU OE2 O -9.185 -13.887 -2.225 1.00 . A A . 65 GLU OE2 1 1 7 6835 1 1 66 ILE C C -15.611 -15.905 -0.509 1.00 . A A . 66 ILE C 1 1 7 6836 1 1 66 ILE CA C -15.373 -15.479 -1.950 1.00 . A A . 66 ILE CA 1 1 7 6837 1 1 66 ILE CB C -14.946 -16.651 -2.825 1.00 . A A . 66 ILE CB 1 1 7 6838 1 1 66 ILE CD1 C -15.828 -18.414 -4.460 1.00 . A A . 66 ILE CD1 1 1 7 6839 1 1 66 ILE CG1 C -16.171 -17.399 -3.368 1.00 . A A . 66 ILE CG1 1 1 7 6840 1 1 66 ILE CG2 C -13.912 -17.561 -2.121 1.00 . A A . 66 ILE CG2 1 1 7 6841 1 1 66 ILE H H -13.696 -14.527 -1.203 1.00 . A A . 66 ILE H 1 1 7 6842 1 1 66 ILE HA H -16.283 -15.046 -2.330 1.00 . A A . 66 ILE HA 1 1 7 6843 1 1 66 ILE HB H -14.444 -16.202 -3.715 1.00 . A A . 66 ILE HB 1 1 7 6844 1 1 66 ILE HD11 H -15.297 -17.914 -5.301 1.00 . A A . 66 ILE HD11 1 1 7 6845 1 1 66 ILE HD12 H -16.752 -18.872 -4.865 1.00 . A A . 66 ILE HD12 1 1 7 6846 1 1 66 ILE HD13 H -15.178 -19.224 -4.074 1.00 . A A . 66 ILE HD13 1 1 7 6847 1 1 66 ILE HG12 H -16.707 -17.892 -2.530 1.00 . A A . 66 ILE HG12 1 1 7 6848 1 1 66 ILE HG13 H -16.856 -16.631 -3.796 1.00 . A A . 66 ILE HG13 1 1 7 6849 1 1 66 ILE HG21 H -14.381 -18.145 -1.302 1.00 . A A . 66 ILE HG21 1 1 7 6850 1 1 66 ILE HG22 H -13.084 -16.956 -1.692 1.00 . A A . 66 ILE HG22 1 1 7 6851 1 1 66 ILE HG23 H -13.470 -18.277 -2.847 1.00 . A A . 66 ILE HG23 1 1 7 6852 1 1 66 ILE N N -14.345 -14.473 -1.948 1.00 . A A . 66 ILE N 1 1 7 6853 1 1 66 ILE O O -14.784 -15.639 0.362 1.00 . A A . 66 ILE O 1 1 7 6854 1 1 67 GLU C C -18.015 -18.382 0.598 1.00 . A A . 67 GLU C 1 1 7 6855 1 1 67 GLU CA C -17.100 -17.200 0.986 1.00 . A A . 67 GLU CA 1 1 7 6856 1 1 67 GLU CB C -17.806 -16.259 2.002 1.00 . A A . 67 GLU CB 1 1 7 6857 1 1 67 GLU CD C -20.043 -15.912 0.742 1.00 . A A . 67 GLU CD 1 1 7 6858 1 1 67 GLU CG C -18.847 -15.257 1.434 1.00 . A A . 67 GLU CG 1 1 7 6859 1 1 67 GLU H H -17.432 -16.835 -0.948 1.00 . A A . 67 GLU H 1 1 7 6860 1 1 67 GLU HA H -16.207 -17.624 1.426 1.00 . A A . 67 GLU HA 1 1 7 6861 1 1 67 GLU HB2 H -18.269 -16.877 2.802 1.00 . A A . 67 GLU HB2 1 1 7 6862 1 1 67 GLU HB3 H -17.006 -15.649 2.480 1.00 . A A . 67 GLU HB3 1 1 7 6863 1 1 67 GLU HE2 H -21.375 -17.236 1.002 1.00 . A A . 67 GLU HE2 1 1 7 6864 1 1 67 GLU HG2 H -19.230 -14.627 2.261 1.00 . A A . 67 GLU HG2 1 1 7 6865 1 1 67 GLU HG3 H -18.360 -14.588 0.694 1.00 . A A . 67 GLU HG3 1 1 7 6866 1 1 67 GLU N N -16.761 -16.561 -0.252 1.00 . A A . 67 GLU N 1 1 7 6867 1 1 67 GLU O O -18.487 -18.415 -0.575 1.00 . A A . 67 GLU O 1 1 7 6868 1 1 67 GLU OXT O -18.246 -19.260 1.470 1.00 . A A . 67 GLU OXT 1 1 7 6869 1 1 67 GLU OE1 O -20.386 -15.721 -0.410 1.00 . A A . 67 GLU OE1 1 1 7 6870 1 1 67 GLU OE2 O -20.783 -16.737 1.561 1.00 . A A . 67 GLU OE2 1 1 7 6871 2 2 1 CL CL CL 6.004 10.004 7.667 1.00 . B A . 68 CL CL 1 1 7 6872 3 2 1 CL CL CL -6.665 -2.495 -6.452 1.00 . C A . 69 CL CL 1 1 7 6873 4 2 1 CL CL CL -8.085 -13.210 -5.245 1.00 . D A . 70 CL CL 1 1 7 6874 5 2 1 CL CL CL -11.344 -9.311 -3.398 1.00 . E A . 71 CL CL 1 1 7 6875 6 2 1 CL CL CL 1.749 -17.483 -2.769 1.00 . F A . 72 CL CL 1 1 7 6876 7 2 1 CL CL CL 5.983 11.166 3.130 1.00 . G A . 73 CL CL 1 1 7 6877 8 2 1 CL CL CL -5.581 -3.784 12.382 1.00 . H A . 74 CL CL 1 1 7 6878 9 2 1 CL CL CL 7.537 -3.452 7.007 1.00 . I A . 75 CL CL 1 1 7 6879 10 2 1 CL CL CL 9.464 6.778 -9.433 1.00 . J A . 76 CL CL 1 1 7 6880 11 2 1 CL CL CL 6.437 -11.549 0.563 1.00 . K A . 77 CL CL 1 1 7 6881 12 2 1 CL CL CL -3.374 2.129 -7.886 1.00 . L A . 78 CL CL 1 1 8 6882 1 1 1 GLY C C -2.577 -17.422 8.685 1.00 . A A . 1 GLY C 1 1 8 6883 1 1 1 GLY CA C -3.337 -16.912 7.507 1.00 . A A . 1 GLY CA 1 1 8 6884 1 1 1 GLY H1 H -4.213 -17.674 5.795 1.00 . A A . 1 GLY H1 1 1 8 6885 1 1 1 GLY H2 H -4.290 -18.720 7.134 1.00 . A A . 1 GLY H2 1 1 8 6886 1 1 1 GLY H3 H -2.825 -18.517 6.296 1.00 . A A . 1 GLY H3 1 1 8 6887 1 1 1 GLY HA2 H -2.709 -16.242 6.933 1.00 . A A . 1 GLY HA2 1 1 8 6888 1 1 1 GLY HA3 H -4.262 -16.470 7.847 1.00 . A A . 1 GLY HA3 1 1 8 6889 1 1 1 GLY N N -3.692 -18.042 6.620 1.00 . A A . 1 GLY N 1 1 8 6890 1 1 1 GLY O O -3.089 -18.209 9.475 1.00 . A A . 1 GLY O 1 1 8 6891 1 1 2 ASP C C 0.603 -16.294 10.072 1.00 . A A . 2 ASP C 1 1 8 6892 1 1 2 ASP CA C -0.439 -17.388 9.929 1.00 . A A . 2 ASP CA 1 1 8 6893 1 1 2 ASP CB C 0.315 -18.710 9.609 1.00 . A A . 2 ASP CB 1 1 8 6894 1 1 2 ASP CG C -0.630 -19.890 9.549 1.00 . A A . 2 ASP CG 1 1 8 6895 1 1 2 ASP H H -0.916 -16.382 8.155 1.00 . A A . 2 ASP H 1 1 8 6896 1 1 2 ASP HA H -0.985 -17.424 10.863 1.00 . A A . 2 ASP HA 1 1 8 6897 1 1 2 ASP HB2 H 0.861 -18.619 8.647 1.00 . A A . 2 ASP HB2 1 1 8 6898 1 1 2 ASP HB3 H 1.057 -18.921 10.407 1.00 . A A . 2 ASP HB3 1 1 8 6899 1 1 2 ASP HD2 H -1.529 -21.025 8.264 1.00 . A A . 2 ASP HD2 1 1 8 6900 1 1 2 ASP N N -1.324 -16.974 8.857 1.00 . A A . 2 ASP N 1 1 8 6901 1 1 2 ASP O O 1.791 -16.520 10.288 1.00 . A A . 2 ASP O 1 1 8 6902 1 1 2 ASP OD1 O -1.089 -20.487 10.507 1.00 . A A . 2 ASP OD1 1 1 8 6903 1 1 2 ASP OD2 O -0.936 -20.258 8.267 1.00 . A A . 2 ASP OD2 1 1 8 6904 1 1 3 ASP C C -0.064 -12.746 10.311 1.00 . A A . 3 ASP C 1 1 8 6905 1 1 3 ASP CA C 0.932 -13.858 10.067 1.00 . A A . 3 ASP CA 1 1 8 6906 1 1 3 ASP CB C 1.748 -13.638 8.771 1.00 . A A . 3 ASP CB 1 1 8 6907 1 1 3 ASP CG C 2.789 -12.545 8.927 1.00 . A A . 3 ASP CG 1 1 8 6908 1 1 3 ASP H H -0.846 -14.900 9.839 1.00 . A A . 3 ASP H 1 1 8 6909 1 1 3 ASP HA H 1.560 -13.947 10.943 1.00 . A A . 3 ASP HA 1 1 8 6910 1 1 3 ASP HB2 H 2.259 -14.588 8.523 1.00 . A A . 3 ASP HB2 1 1 8 6911 1 1 3 ASP HB3 H 1.074 -13.389 7.928 1.00 . A A . 3 ASP HB3 1 1 8 6912 1 1 3 ASP HD2 H 3.846 -13.911 9.803 1.00 . A A . 3 ASP HD2 1 1 8 6913 1 1 3 ASP N N 0.136 -15.044 9.964 1.00 . A A . 3 ASP N 1 1 8 6914 1 1 3 ASP O O -0.789 -12.314 9.419 1.00 . A A . 3 ASP O 1 1 8 6915 1 1 3 ASP OD1 O 2.640 -11.379 8.632 1.00 . A A . 3 ASP OD1 1 1 8 6916 1 1 3 ASP OD2 O 3.965 -13.031 9.445 1.00 . A A . 3 ASP OD2 1 1 8 6917 1 1 4 VAL C C -0.920 -9.932 11.477 1.00 . A A . 4 VAL C 1 1 8 6918 1 1 4 VAL CA C -1.186 -11.342 11.981 1.00 . A A . 4 VAL CA 1 1 8 6919 1 1 4 VAL CB C -1.453 -11.342 13.483 1.00 . A A . 4 VAL CB 1 1 8 6920 1 1 4 VAL CG1 C -1.872 -12.756 13.938 1.00 . A A . 4 VAL CG1 1 1 8 6921 1 1 4 VAL CG2 C -0.280 -10.806 14.320 1.00 . A A . 4 VAL CG2 1 1 8 6922 1 1 4 VAL H H 0.474 -12.625 12.244 1.00 . A A . 4 VAL H 1 1 8 6923 1 1 4 VAL HA H -2.108 -11.643 11.512 1.00 . A A . 4 VAL HA 1 1 8 6924 1 1 4 VAL HB H -2.310 -10.661 13.662 1.00 . A A . 4 VAL HB 1 1 8 6925 1 1 4 VAL HG11 H -2.156 -12.740 15.013 1.00 . A A . 4 VAL HG11 1 1 8 6926 1 1 4 VAL HG12 H -1.045 -13.484 13.821 1.00 . A A . 4 VAL HG12 1 1 8 6927 1 1 4 VAL HG13 H -2.746 -13.115 13.353 1.00 . A A . 4 VAL HG13 1 1 8 6928 1 1 4 VAL HG21 H -0.584 -10.732 15.385 1.00 . A A . 4 VAL HG21 1 1 8 6929 1 1 4 VAL HG22 H 0.026 -9.793 13.996 1.00 . A A . 4 VAL HG22 1 1 8 6930 1 1 4 VAL HG23 H 0.597 -11.479 14.271 1.00 . A A . 4 VAL HG23 1 1 8 6931 1 1 4 VAL N N -0.170 -12.290 11.562 1.00 . A A . 4 VAL N 1 1 8 6932 1 1 4 VAL O O -1.828 -9.117 11.321 1.00 . A A . 4 VAL O 1 1 8 6933 1 1 5 LYS C C 0.932 -8.530 9.035 1.00 . A A . 5 LYS C 1 1 8 6934 1 1 5 LYS CA C 0.767 -8.385 10.536 1.00 . A A . 5 LYS CA 1 1 8 6935 1 1 5 LYS CB C 2.071 -7.884 11.191 1.00 . A A . 5 LYS CB 1 1 8 6936 1 1 5 LYS CD C 1.112 -6.204 12.895 1.00 . A A . 5 LYS CD 1 1 8 6937 1 1 5 LYS CE C 0.336 -6.171 14.217 1.00 . A A . 5 LYS CE 1 1 8 6938 1 1 5 LYS CG C 1.887 -7.514 12.671 1.00 . A A . 5 LYS CG 1 1 8 6939 1 1 5 LYS H H 1.066 -10.284 11.340 1.00 . A A . 5 LYS H 1 1 8 6940 1 1 5 LYS HA H -0.013 -7.662 10.669 1.00 . A A . 5 LYS HA 1 1 8 6941 1 1 5 LYS HB2 H 2.823 -8.699 11.116 1.00 . A A . 5 LYS HB2 1 1 8 6942 1 1 5 LYS HB3 H 2.481 -7.011 10.644 1.00 . A A . 5 LYS HB3 1 1 8 6943 1 1 5 LYS HD2 H 1.848 -5.366 12.889 1.00 . A A . 5 LYS HD2 1 1 8 6944 1 1 5 LYS HD3 H 0.398 -6.015 12.068 1.00 . A A . 5 LYS HD3 1 1 8 6945 1 1 5 LYS HE2 H 0.982 -6.508 15.049 1.00 . A A . 5 LYS HE2 1 1 8 6946 1 1 5 LYS HE3 H -0.024 -5.143 14.428 1.00 . A A . 5 LYS HE3 1 1 8 6947 1 1 5 LYS HG2 H 1.369 -8.357 13.178 1.00 . A A . 5 LYS HG2 1 1 8 6948 1 1 5 LYS HG3 H 2.887 -7.419 13.154 1.00 . A A . 5 LYS HG3 1 1 8 6949 1 1 5 LYS HZ1 H -1.488 -6.737 13.417 1.00 . A A . 5 LYS HZ1 1 1 8 6950 1 1 5 LYS HZ2 H -1.349 -7.016 15.084 1.00 . A A . 5 LYS HZ2 1 1 8 6951 1 1 5 LYS HZ3 H -0.549 -8.036 13.985 1.00 . A A . 5 LYS HZ3 1 1 8 6952 1 1 5 LYS N N 0.347 -9.621 11.157 1.00 . A A . 5 LYS N 1 1 8 6953 1 1 5 LYS NZ N -0.849 -7.059 14.173 1.00 . A A . 5 LYS NZ 1 1 8 6954 1 1 5 LYS O O 1.793 -7.922 8.401 1.00 . A A . 5 LYS O 1 1 8 6955 1 1 6 SER C C -0.648 -8.097 6.378 1.00 . A A . 6 SER C 1 1 8 6956 1 1 6 SER CA C -0.233 -9.417 7.014 1.00 . A A . 6 SER CA 1 1 8 6957 1 1 6 SER CB C -1.344 -10.463 6.721 1.00 . A A . 6 SER CB 1 1 8 6958 1 1 6 SER H H -0.572 -9.837 9.041 1.00 . A A . 6 SER H 1 1 8 6959 1 1 6 SER HA H 0.684 -9.733 6.532 1.00 . A A . 6 SER HA 1 1 8 6960 1 1 6 SER HB2 H -1.607 -10.462 5.640 1.00 . A A . 6 SER HB2 1 1 8 6961 1 1 6 SER HB3 H -0.946 -11.471 6.983 1.00 . A A . 6 SER HB3 1 1 8 6962 1 1 6 SER HG H -3.212 -10.828 7.268 1.00 . A A . 6 SER HG 1 1 8 6963 1 1 6 SER N N 0.039 -9.326 8.441 1.00 . A A . 6 SER N 1 1 8 6964 1 1 6 SER O O -1.436 -7.328 6.925 1.00 . A A . 6 SER O 1 1 8 6965 1 1 6 SER OG O -2.504 -10.211 7.521 1.00 . A A . 6 SER OG 1 1 8 6966 1 1 7 ALA C C -1.066 -7.011 3.085 1.00 . A A . 7 ALA C 1 1 8 6967 1 1 7 ALA CA C -0.493 -6.623 4.432 1.00 . A A . 7 ALA CA 1 1 8 6968 1 1 7 ALA CB C 0.769 -5.759 4.236 1.00 . A A . 7 ALA CB 1 1 8 6969 1 1 7 ALA H H 0.552 -8.377 4.751 1.00 . A A . 7 ALA H 1 1 8 6970 1 1 7 ALA HA H -1.259 -6.057 4.944 1.00 . A A . 7 ALA HA 1 1 8 6971 1 1 7 ALA HB1 H 1.554 -6.340 3.706 1.00 . A A . 7 ALA HB1 1 1 8 6972 1 1 7 ALA HB2 H 1.166 -5.463 5.233 1.00 . A A . 7 ALA HB2 1 1 8 6973 1 1 7 ALA HB3 H 0.546 -4.834 3.664 1.00 . A A . 7 ALA HB3 1 1 8 6974 1 1 7 ALA N N -0.126 -7.798 5.182 1.00 . A A . 7 ALA N 1 1 8 6975 1 1 7 ALA O O -0.824 -8.102 2.566 1.00 . A A . 7 ALA O 1 1 8 6976 1 1 8 CYS C C -1.760 -4.991 0.306 1.00 . A A . 8 CYS C 1 1 8 6977 1 1 8 CYS CA C -2.265 -6.193 1.099 1.00 . A A . 8 CYS CA 1 1 8 6978 1 1 8 CYS CB C -3.795 -6.321 0.954 1.00 . A A . 8 CYS CB 1 1 8 6979 1 1 8 CYS H H -2.170 -5.312 3.016 1.00 . A A . 8 CYS H 1 1 8 6980 1 1 8 CYS HA H -1.836 -7.078 0.653 1.00 . A A . 8 CYS HA 1 1 8 6981 1 1 8 CYS HB2 H -4.272 -5.382 1.304 1.00 . A A . 8 CYS HB2 1 1 8 6982 1 1 8 CYS HB3 H -4.047 -6.457 -0.115 1.00 . A A . 8 CYS HB3 1 1 8 6983 1 1 8 CYS N N -1.852 -6.104 2.484 1.00 . A A . 8 CYS N 1 1 8 6984 1 1 8 CYS O O -1.975 -3.830 0.650 1.00 . A A . 8 CYS O 1 1 8 6985 1 1 8 CYS SG S -4.453 -7.706 1.934 1.00 . A A . 8 CYS SG 1 1 8 6986 1 1 9 CYS C C -1.104 -4.688 -3.140 1.00 . A A . 9 CYS C 1 1 8 6987 1 1 9 CYS CA C -0.593 -4.299 -1.767 1.00 . A A . 9 CYS CA 1 1 8 6988 1 1 9 CYS CB C 0.957 -4.368 -1.755 1.00 . A A . 9 CYS CB 1 1 8 6989 1 1 9 CYS H H -0.849 -6.225 -1.054 1.00 . A A . 9 CYS H 1 1 8 6990 1 1 9 CYS HA H -0.950 -3.309 -1.516 1.00 . A A . 9 CYS HA 1 1 8 6991 1 1 9 CYS HB2 H 1.282 -4.169 -0.709 1.00 . A A . 9 CYS HB2 1 1 8 6992 1 1 9 CYS HB3 H 1.239 -5.425 -1.971 1.00 . A A . 9 CYS HB3 1 1 8 6993 1 1 9 CYS N N -1.075 -5.271 -0.815 1.00 . A A . 9 CYS N 1 1 8 6994 1 1 9 CYS O O -1.288 -5.863 -3.438 1.00 . A A . 9 CYS O 1 1 8 6995 1 1 9 CYS SG S 1.860 -3.254 -2.887 1.00 . A A . 9 CYS SG 1 1 8 6996 1 1 10 ASP C C -0.658 -3.326 -6.284 1.00 . A A . 10 ASP C 1 1 8 6997 1 1 10 ASP CA C -1.709 -3.976 -5.400 1.00 . A A . 10 ASP CA 1 1 8 6998 1 1 10 ASP CB C -3.127 -3.469 -5.704 1.00 . A A . 10 ASP CB 1 1 8 6999 1 1 10 ASP CG C -4.148 -4.531 -5.360 1.00 . A A . 10 ASP CG 1 1 8 7000 1 1 10 ASP H H -1.307 -2.746 -3.767 1.00 . A A . 10 ASP H 1 1 8 7001 1 1 10 ASP HA H -1.647 -5.037 -5.613 1.00 . A A . 10 ASP HA 1 1 8 7002 1 1 10 ASP HB2 H -3.368 -2.547 -5.156 1.00 . A A . 10 ASP HB2 1 1 8 7003 1 1 10 ASP HB3 H -3.260 -3.273 -6.778 1.00 . A A . 10 ASP HB3 1 1 8 7004 1 1 10 ASP HD2 H -5.420 -4.982 -4.020 1.00 . A A . 10 ASP HD2 1 1 8 7005 1 1 10 ASP N N -1.371 -3.705 -4.022 1.00 . A A . 10 ASP N 1 1 8 7006 1 1 10 ASP O O 0.330 -3.959 -6.644 1.00 . A A . 10 ASP O 1 1 8 7007 1 1 10 ASP OD1 O -4.562 -5.361 -6.144 1.00 . A A . 10 ASP OD1 1 1 8 7008 1 1 10 ASP OD2 O -4.627 -4.451 -4.082 1.00 . A A . 10 ASP OD2 1 1 8 7009 1 1 11 THR C C 1.326 -0.884 -6.607 1.00 . A A . 11 THR C 1 1 8 7010 1 1 11 THR CA C 0.156 -1.316 -7.452 1.00 . A A . 11 THR CA 1 1 8 7011 1 1 11 THR CB C -0.363 -0.087 -8.183 1.00 . A A . 11 THR CB 1 1 8 7012 1 1 11 THR CG2 C 0.712 0.426 -9.149 1.00 . A A . 11 THR CG2 1 1 8 7013 1 1 11 THR H H -1.589 -1.499 -6.332 1.00 . A A . 11 THR H 1 1 8 7014 1 1 11 THR HA H 0.529 -2.003 -8.203 1.00 . A A . 11 THR HA 1 1 8 7015 1 1 11 THR HB H -0.642 0.724 -7.469 1.00 . A A . 11 THR HB 1 1 8 7016 1 1 11 THR HG1 H -2.214 -0.723 -8.440 1.00 . A A . 11 THR HG1 1 1 8 7017 1 1 11 THR HG21 H 1.628 0.755 -8.619 1.00 . A A . 11 THR HG21 1 1 8 7018 1 1 11 THR HG22 H 0.325 1.297 -9.715 1.00 . A A . 11 THR HG22 1 1 8 7019 1 1 11 THR HG23 H 0.992 -0.373 -9.870 1.00 . A A . 11 THR HG23 1 1 8 7020 1 1 11 THR N N -0.810 -2.027 -6.626 1.00 . A A . 11 THR N 1 1 8 7021 1 1 11 THR O O 1.258 0.033 -5.786 1.00 . A A . 11 THR O 1 1 8 7022 1 1 11 THR OG1 O -1.479 -0.407 -9.002 1.00 . A A . 11 THR OG1 1 1 8 7023 1 1 12 CYS C C 4.461 -0.235 -7.010 1.00 . A A . 12 CYS C 1 1 8 7024 1 1 12 CYS CA C 3.730 -1.321 -6.240 1.00 . A A . 12 CYS CA 1 1 8 7025 1 1 12 CYS CB C 4.567 -2.623 -6.245 1.00 . A A . 12 CYS CB 1 1 8 7026 1 1 12 CYS H H 2.409 -2.305 -7.515 1.00 . A A . 12 CYS H 1 1 8 7027 1 1 12 CYS HA H 3.599 -0.979 -5.226 1.00 . A A . 12 CYS HA 1 1 8 7028 1 1 12 CYS HB2 H 3.914 -3.437 -5.845 1.00 . A A . 12 CYS HB2 1 1 8 7029 1 1 12 CYS HB3 H 4.853 -2.871 -7.297 1.00 . A A . 12 CYS HB3 1 1 8 7030 1 1 12 CYS N N 2.440 -1.587 -6.820 1.00 . A A . 12 CYS N 1 1 8 7031 1 1 12 CYS O O 4.231 -0.034 -8.201 1.00 . A A . 12 CYS O 1 1 8 7032 1 1 12 CYS SG S 6.063 -2.546 -5.228 1.00 . A A . 12 CYS SG 1 1 8 7033 1 1 13 LEU C C 7.505 1.475 -6.114 1.00 . A A . 13 LEU C 1 1 8 7034 1 1 13 LEU CA C 6.272 1.391 -6.986 1.00 . A A . 13 LEU CA 1 1 8 7035 1 1 13 LEU CB C 5.560 2.753 -7.107 1.00 . A A . 13 LEU CB 1 1 8 7036 1 1 13 LEU CD1 C 7.413 4.529 -7.169 1.00 . A A . 13 LEU CD1 1 1 8 7037 1 1 13 LEU CD2 C 6.633 3.469 -9.323 1.00 . A A . 13 LEU CD2 1 1 8 7038 1 1 13 LEU CG C 6.234 3.890 -7.906 1.00 . A A . 13 LEU CG 1 1 8 7039 1 1 13 LEU H H 5.434 0.442 -5.340 1.00 . A A . 13 LEU H 1 1 8 7040 1 1 13 LEU HA H 6.564 1.016 -7.954 1.00 . A A . 13 LEU HA 1 1 8 7041 1 1 13 LEU HB2 H 4.602 2.528 -7.613 1.00 . A A . 13 LEU HB2 1 1 8 7042 1 1 13 LEU HB3 H 5.321 3.106 -6.086 1.00 . A A . 13 LEU HB3 1 1 8 7043 1 1 13 LEU HD11 H 7.104 4.784 -6.131 1.00 . A A . 13 LEU HD11 1 1 8 7044 1 1 13 LEU HD12 H 7.731 5.459 -7.685 1.00 . A A . 13 LEU HD12 1 1 8 7045 1 1 13 LEU HD13 H 8.280 3.841 -7.128 1.00 . A A . 13 LEU HD13 1 1 8 7046 1 1 13 LEU HD21 H 5.765 3.029 -9.859 1.00 . A A . 13 LEU HD21 1 1 8 7047 1 1 13 LEU HD22 H 7.454 2.724 -9.288 1.00 . A A . 13 LEU HD22 1 1 8 7048 1 1 13 LEU HD23 H 6.992 4.352 -9.894 1.00 . A A . 13 LEU HD23 1 1 8 7049 1 1 13 LEU HG H 5.459 4.692 -8.005 1.00 . A A . 13 LEU HG 1 1 8 7050 1 1 13 LEU N N 5.394 0.455 -6.344 1.00 . A A . 13 LEU N 1 1 8 7051 1 1 13 LEU O O 7.534 2.053 -5.022 1.00 . A A . 13 LEU O 1 1 8 7052 1 1 14 CYS C C 10.697 1.914 -6.841 1.00 . A A . 14 CYS C 1 1 8 7053 1 1 14 CYS CA C 9.898 0.911 -6.056 1.00 . A A . 14 CYS CA 1 1 8 7054 1 1 14 CYS CB C 10.656 -0.434 -5.972 1.00 . A A . 14 CYS CB 1 1 8 7055 1 1 14 CYS H H 8.466 0.247 -7.403 1.00 . A A . 14 CYS H 1 1 8 7056 1 1 14 CYS HA H 9.847 1.329 -5.072 1.00 . A A . 14 CYS HA 1 1 8 7057 1 1 14 CYS HB2 H 10.701 -0.889 -6.981 1.00 . A A . 14 CYS HB2 1 1 8 7058 1 1 14 CYS HB3 H 11.707 -0.235 -5.684 1.00 . A A . 14 CYS HB3 1 1 8 7059 1 1 14 CYS N N 8.559 0.786 -6.574 1.00 . A A . 14 CYS N 1 1 8 7060 1 1 14 CYS O O 10.587 2.003 -8.059 1.00 . A A . 14 CYS O 1 1 8 7061 1 1 14 CYS SG S 9.951 -1.654 -4.801 1.00 . A A . 14 CYS SG 1 1 8 7062 1 1 15 THR C C 13.649 2.971 -7.465 1.00 . A A . 15 THR C 1 1 8 7063 1 1 15 THR CA C 12.430 3.624 -6.853 1.00 . A A . 15 THR CA 1 1 8 7064 1 1 15 THR CB C 12.930 4.786 -6.008 1.00 . A A . 15 THR CB 1 1 8 7065 1 1 15 THR CG2 C 11.713 5.601 -5.561 1.00 . A A . 15 THR CG2 1 1 8 7066 1 1 15 THR H H 11.596 2.673 -5.157 1.00 . A A . 15 THR H 1 1 8 7067 1 1 15 THR HA H 11.881 4.078 -7.666 1.00 . A A . 15 THR HA 1 1 8 7068 1 1 15 THR HB H 13.589 5.434 -6.638 1.00 . A A . 15 THR HB 1 1 8 7069 1 1 15 THR HG1 H 13.994 5.210 -4.469 1.00 . A A . 15 THR HG1 1 1 8 7070 1 1 15 THR HG21 H 12.032 6.511 -5.011 1.00 . A A . 15 THR HG21 1 1 8 7071 1 1 15 THR HG22 H 11.062 5.005 -4.888 1.00 . A A . 15 THR HG22 1 1 8 7072 1 1 15 THR HG23 H 11.112 5.909 -6.443 1.00 . A A . 15 THR HG23 1 1 8 7073 1 1 15 THR N N 11.548 2.693 -6.162 1.00 . A A . 15 THR N 1 1 8 7074 1 1 15 THR O O 14.248 2.042 -6.926 1.00 . A A . 15 THR O 1 1 8 7075 1 1 15 THR OG1 O 13.634 4.375 -4.837 1.00 . A A . 15 THR OG1 1 1 8 7076 1 1 16 ARG C C 16.350 4.205 -8.527 1.00 . A A . 16 ARG C 1 1 8 7077 1 1 16 ARG CA C 15.376 3.248 -9.191 1.00 . A A . 16 ARG CA 1 1 8 7078 1 1 16 ARG CB C 15.380 3.413 -10.726 1.00 . A A . 16 ARG CB 1 1 8 7079 1 1 16 ARG CD C 15.414 0.947 -11.489 1.00 . A A . 16 ARG CD 1 1 8 7080 1 1 16 ARG CG C 14.646 2.275 -11.458 1.00 . A A . 16 ARG CG 1 1 8 7081 1 1 16 ARG CZ C 14.954 -1.203 -12.733 1.00 . A A . 16 ARG CZ 1 1 8 7082 1 1 16 ARG H H 13.548 4.219 -9.060 1.00 . A A . 16 ARG H 1 1 8 7083 1 1 16 ARG HA H 15.674 2.242 -8.950 1.00 . A A . 16 ARG HA 1 1 8 7084 1 1 16 ARG HB2 H 14.899 4.381 -10.983 1.00 . A A . 16 ARG HB2 1 1 8 7085 1 1 16 ARG HB3 H 16.417 3.451 -11.113 1.00 . A A . 16 ARG HB3 1 1 8 7086 1 1 16 ARG HD2 H 16.326 1.052 -12.116 1.00 . A A . 16 ARG HD2 1 1 8 7087 1 1 16 ARG HD3 H 15.696 0.617 -10.469 1.00 . A A . 16 ARG HD3 1 1 8 7088 1 1 16 ARG HE H 13.529 -0.036 -11.867 1.00 . A A . 16 ARG HE 1 1 8 7089 1 1 16 ARG HG2 H 13.656 2.130 -10.981 1.00 . A A . 16 ARG HG2 1 1 8 7090 1 1 16 ARG HG3 H 14.466 2.593 -12.508 1.00 . A A . 16 ARG HG3 1 1 8 7091 1 1 16 ARG HH11 H 16.928 -0.642 -12.831 1.00 . A A . 16 ARG HH11 1 1 8 7092 1 1 16 ARG HH12 H 16.558 -2.172 -13.562 1.00 . A A . 16 ARG HH12 1 1 8 7093 1 1 16 ARG HH21 H 13.098 -2.071 -12.827 1.00 . A A . 16 ARG HH21 1 1 8 7094 1 1 16 ARG HH22 H 14.373 -2.993 -13.559 1.00 . A A . 16 ARG HH22 1 1 8 7095 1 1 16 ARG N N 14.065 3.485 -8.633 1.00 . A A . 16 ARG N 1 1 8 7096 1 1 16 ARG NE N 14.507 -0.098 -12.065 1.00 . A A . 16 ARG NE 1 1 8 7097 1 1 16 ARG NH1 N 16.270 -1.361 -13.054 1.00 . A A . 16 ARG NH1 1 1 8 7098 1 1 16 ARG NH2 N 14.060 -2.169 -13.086 1.00 . A A . 16 ARG NH2 1 1 8 7099 1 1 16 ARG O O 16.267 5.419 -8.708 1.00 . A A . 16 ARG O 1 1 8 7100 1 1 17 SER C C 19.041 3.584 -6.083 1.00 . A A . 17 SER C 1 1 8 7101 1 1 17 SER CA C 18.063 4.492 -6.794 1.00 . A A . 17 SER CA 1 1 8 7102 1 1 17 SER CB C 17.202 5.237 -5.722 1.00 . A A . 17 SER CB 1 1 8 7103 1 1 17 SER H H 17.368 2.699 -7.619 1.00 . A A . 17 SER H 1 1 8 7104 1 1 17 SER HA H 18.634 5.201 -7.372 1.00 . A A . 17 SER HA 1 1 8 7105 1 1 17 SER HB2 H 16.316 5.680 -6.225 1.00 . A A . 17 SER HB2 1 1 8 7106 1 1 17 SER HB3 H 16.818 4.515 -4.969 1.00 . A A . 17 SER HB3 1 1 8 7107 1 1 17 SER HG H 17.235 6.784 -4.562 1.00 . A A . 17 SER HG 1 1 8 7108 1 1 17 SER N N 17.269 3.684 -7.701 1.00 . A A . 17 SER N 1 1 8 7109 1 1 17 SER O O 19.223 2.417 -6.431 1.00 . A A . 17 SER O 1 1 8 7110 1 1 17 SER OG O 17.905 6.297 -5.069 1.00 . A A . 17 SER OG 1 1 8 7111 1 1 18 GLN C C 20.875 4.040 -2.945 1.00 . A A . 18 GLN C 1 1 8 7112 1 1 18 GLN CA C 20.813 3.483 -4.373 1.00 . A A . 18 GLN CA 1 1 8 7113 1 1 18 GLN CB C 22.157 3.847 -5.069 1.00 . A A . 18 GLN CB 1 1 8 7114 1 1 18 GLN CD C 23.738 3.556 -7.060 1.00 . A A . 18 GLN CD 1 1 8 7115 1 1 18 GLN CG C 22.365 3.231 -6.475 1.00 . A A . 18 GLN CG 1 1 8 7116 1 1 18 GLN H H 19.453 5.040 -4.789 1.00 . A A . 18 GLN H 1 1 8 7117 1 1 18 GLN HA H 20.691 2.413 -4.344 1.00 . A A . 18 GLN HA 1 1 8 7118 1 1 18 GLN HB2 H 22.189 4.952 -5.175 1.00 . A A . 18 GLN HB2 1 1 8 7119 1 1 18 GLN HB3 H 22.999 3.533 -4.413 1.00 . A A . 18 GLN HB3 1 1 8 7120 1 1 18 GLN HE21 H 23.313 5.557 -7.159 1.00 . A A . 18 GLN HE21 1 1 8 7121 1 1 18 GLN HE22 H 24.899 5.079 -7.715 1.00 . A A . 18 GLN HE22 1 1 8 7122 1 1 18 GLN HG2 H 22.271 2.126 -6.419 1.00 . A A . 18 GLN HG2 1 1 8 7123 1 1 18 GLN HG3 H 21.594 3.609 -7.180 1.00 . A A . 18 GLN HG3 1 1 8 7124 1 1 18 GLN N N 19.694 4.102 -5.039 1.00 . A A . 18 GLN N 1 1 8 7125 1 1 18 GLN NE2 N 24.021 4.851 -7.301 1.00 . A A . 18 GLN NE2 1 1 8 7126 1 1 18 GLN O O 21.458 5.107 -2.717 1.00 . A A . 18 GLN O 1 1 8 7127 1 1 18 GLN OE1 O 24.551 2.660 -7.319 1.00 . A A . 18 GLN OE1 1 1 8 7128 1 1 19 PRO C C 18.072 2.478 -2.593 1.00 . A A . 19 PRO C 1 1 8 7129 1 1 19 PRO CA C 19.467 2.181 -2.051 1.00 . A A . 19 PRO CA 1 1 8 7130 1 1 19 PRO CB C 19.389 1.695 -0.595 1.00 . A A . 19 PRO CB 1 1 8 7131 1 1 19 PRO CD C 20.481 3.805 -0.560 1.00 . A A . 19 PRO CD 1 1 8 7132 1 1 19 PRO CG C 19.497 2.963 0.247 1.00 . A A . 19 PRO CG 1 1 8 7133 1 1 19 PRO HA H 19.951 1.458 -2.683 1.00 . A A . 19 PRO HA 1 1 8 7134 1 1 19 PRO HB2 H 18.460 1.125 -0.370 1.00 . A A . 19 PRO HB2 1 1 8 7135 1 1 19 PRO HB3 H 20.285 1.055 -0.395 1.00 . A A . 19 PRO HB3 1 1 8 7136 1 1 19 PRO HD2 H 20.278 4.893 -0.441 1.00 . A A . 19 PRO HD2 1 1 8 7137 1 1 19 PRO HD3 H 21.522 3.573 -0.248 1.00 . A A . 19 PRO HD3 1 1 8 7138 1 1 19 PRO HG2 H 18.507 3.468 0.296 1.00 . A A . 19 PRO HG2 1 1 8 7139 1 1 19 PRO HG3 H 19.853 2.764 1.278 1.00 . A A . 19 PRO HG3 1 1 8 7140 1 1 19 PRO N N 20.298 3.378 -1.945 1.00 . A A . 19 PRO N 1 1 8 7141 1 1 19 PRO O O 17.602 3.606 -2.430 1.00 . A A . 19 PRO O 1 1 8 7142 1 1 20 PRO C C 15.093 1.699 -2.411 1.00 . A A . 20 PRO C 1 1 8 7143 1 1 20 PRO CA C 15.995 1.694 -3.625 1.00 . A A . 20 PRO CA 1 1 8 7144 1 1 20 PRO CB C 15.734 0.470 -4.513 1.00 . A A . 20 PRO CB 1 1 8 7145 1 1 20 PRO CD C 17.853 0.158 -3.453 1.00 . A A . 20 PRO CD 1 1 8 7146 1 1 20 PRO CG C 16.615 -0.618 -3.908 1.00 . A A . 20 PRO CG 1 1 8 7147 1 1 20 PRO HA H 15.844 2.627 -4.151 1.00 . A A . 20 PRO HA 1 1 8 7148 1 1 20 PRO HB2 H 14.664 0.184 -4.559 1.00 . A A . 20 PRO HB2 1 1 8 7149 1 1 20 PRO HB3 H 16.084 0.695 -5.547 1.00 . A A . 20 PRO HB3 1 1 8 7150 1 1 20 PRO HD2 H 18.277 -0.289 -2.523 1.00 . A A . 20 PRO HD2 1 1 8 7151 1 1 20 PRO HD3 H 18.620 0.173 -4.257 1.00 . A A . 20 PRO HD3 1 1 8 7152 1 1 20 PRO HG2 H 16.103 -1.055 -3.022 1.00 . A A . 20 PRO HG2 1 1 8 7153 1 1 20 PRO HG3 H 16.858 -1.427 -4.625 1.00 . A A . 20 PRO HG3 1 1 8 7154 1 1 20 PRO N N 17.386 1.531 -3.235 1.00 . A A . 20 PRO N 1 1 8 7155 1 1 20 PRO O O 15.468 1.247 -1.326 1.00 . A A . 20 PRO O 1 1 8 7156 1 1 21 THR C C 11.658 2.652 -2.073 1.00 . A A . 21 THR C 1 1 8 7157 1 1 21 THR CA C 13.031 2.626 -1.463 1.00 . A A . 21 THR CA 1 1 8 7158 1 1 21 THR CB C 13.401 4.010 -0.937 1.00 . A A . 21 THR CB 1 1 8 7159 1 1 21 THR CG2 C 12.467 4.480 0.177 1.00 . A A . 21 THR CG2 1 1 8 7160 1 1 21 THR H H 13.634 2.613 -3.467 1.00 . A A . 21 THR H 1 1 8 7161 1 1 21 THR HA H 13.029 1.877 -0.686 1.00 . A A . 21 THR HA 1 1 8 7162 1 1 21 THR HB H 13.377 4.739 -1.787 1.00 . A A . 21 THR HB 1 1 8 7163 1 1 21 THR HG1 H 15.323 3.778 -1.055 1.00 . A A . 21 THR HG1 1 1 8 7164 1 1 21 THR HG21 H 11.434 4.615 -0.195 1.00 . A A . 21 THR HG21 1 1 8 7165 1 1 21 THR HG22 H 12.805 5.467 0.559 1.00 . A A . 21 THR HG22 1 1 8 7166 1 1 21 THR HG23 H 12.474 3.766 1.028 1.00 . A A . 21 THR HG23 1 1 8 7167 1 1 21 THR N N 13.880 2.228 -2.572 1.00 . A A . 21 THR N 1 1 8 7168 1 1 21 THR O O 11.488 2.979 -3.246 1.00 . A A . 21 THR O 1 1 8 7169 1 1 21 THR OG1 O 14.695 3.985 -0.348 1.00 . A A . 21 THR OG1 1 1 8 7170 1 1 22 CYS C C 8.219 1.858 -1.297 1.00 . A A . 22 CYS C 1 1 8 7171 1 1 22 CYS CA C 9.493 1.628 -2.055 1.00 . A A . 22 CYS CA 1 1 8 7172 1 1 22 CYS CB C 9.739 0.114 -2.332 1.00 . A A . 22 CYS CB 1 1 8 7173 1 1 22 CYS H H 10.683 1.943 -0.369 1.00 . A A . 22 CYS H 1 1 8 7174 1 1 22 CYS HA H 9.332 2.158 -2.983 1.00 . A A . 22 CYS HA 1 1 8 7175 1 1 22 CYS HB2 H 10.786 0.021 -2.689 1.00 . A A . 22 CYS HB2 1 1 8 7176 1 1 22 CYS HB3 H 9.679 -0.454 -1.379 1.00 . A A . 22 CYS HB3 1 1 8 7177 1 1 22 CYS N N 10.639 2.150 -1.349 1.00 . A A . 22 CYS N 1 1 8 7178 1 1 22 CYS O O 8.201 2.305 -0.147 1.00 . A A . 22 CYS O 1 1 8 7179 1 1 22 CYS SG S 8.670 -0.649 -3.594 1.00 . A A . 22 CYS SG 1 1 8 7180 1 1 23 ARG C C 4.769 1.209 -2.418 1.00 . A A . 23 ARG C 1 1 8 7181 1 1 23 ARG CA C 5.793 1.825 -1.493 1.00 . A A . 23 ARG CA 1 1 8 7182 1 1 23 ARG CB C 5.517 3.354 -1.509 1.00 . A A . 23 ARG CB 1 1 8 7183 1 1 23 ARG CD C 5.119 5.342 -3.148 1.00 . A A . 23 ARG CD 1 1 8 7184 1 1 23 ARG CG C 5.852 4.027 -2.859 1.00 . A A . 23 ARG CG 1 1 8 7185 1 1 23 ARG CZ C 4.517 6.586 -1.025 1.00 . A A . 23 ARG CZ 1 1 8 7186 1 1 23 ARG H H 7.193 1.250 -2.931 1.00 . A A . 23 ARG H 1 1 8 7187 1 1 23 ARG HA H 5.656 1.387 -0.516 1.00 . A A . 23 ARG HA 1 1 8 7188 1 1 23 ARG HB2 H 4.457 3.563 -1.254 1.00 . A A . 23 ARG HB2 1 1 8 7189 1 1 23 ARG HB3 H 6.141 3.841 -0.730 1.00 . A A . 23 ARG HB3 1 1 8 7190 1 1 23 ARG HD2 H 5.513 5.807 -4.074 1.00 . A A . 23 ARG HD2 1 1 8 7191 1 1 23 ARG HD3 H 4.032 5.169 -3.272 1.00 . A A . 23 ARG HD3 1 1 8 7192 1 1 23 ARG HE H 6.251 6.797 -2.057 1.00 . A A . 23 ARG HE 1 1 8 7193 1 1 23 ARG HG2 H 6.947 4.203 -2.893 1.00 . A A . 23 ARG HG2 1 1 8 7194 1 1 23 ARG HG3 H 5.609 3.344 -3.699 1.00 . A A . 23 ARG HG3 1 1 8 7195 1 1 23 ARG HH11 H 2.975 5.359 -1.616 1.00 . A A . 23 ARG HH11 1 1 8 7196 1 1 23 ARG HH12 H 2.677 6.249 -0.174 1.00 . A A . 23 ARG HH12 1 1 8 7197 1 1 23 ARG HH21 H 5.858 7.849 -0.181 1.00 . A A . 23 ARG HH21 1 1 8 7198 1 1 23 ARG HH22 H 4.376 7.663 0.721 1.00 . A A . 23 ARG HH22 1 1 8 7199 1 1 23 ARG N N 7.110 1.529 -1.967 1.00 . A A . 23 ARG N 1 1 8 7200 1 1 23 ARG NE N 5.381 6.308 -2.047 1.00 . A A . 23 ARG NE 1 1 8 7201 1 1 23 ARG NH1 N 3.278 6.026 -0.939 1.00 . A A . 23 ARG NH1 1 1 8 7202 1 1 23 ARG NH2 N 4.945 7.457 -0.073 1.00 . A A . 23 ARG NH2 1 1 8 7203 1 1 23 ARG O O 5.046 0.783 -3.540 1.00 . A A . 23 ARG O 1 1 8 7204 1 1 24 CYS C C 1.518 1.910 -2.959 1.00 . A A . 24 CYS C 1 1 8 7205 1 1 24 CYS CA C 2.377 0.700 -2.677 1.00 . A A . 24 CYS CA 1 1 8 7206 1 1 24 CYS CB C 1.585 -0.379 -1.899 1.00 . A A . 24 CYS CB 1 1 8 7207 1 1 24 CYS H H 3.353 1.464 -1.002 1.00 . A A . 24 CYS H 1 1 8 7208 1 1 24 CYS HA H 2.686 0.297 -3.633 1.00 . A A . 24 CYS HA 1 1 8 7209 1 1 24 CYS HB2 H 1.271 0.033 -0.913 1.00 . A A . 24 CYS HB2 1 1 8 7210 1 1 24 CYS HB3 H 0.663 -0.650 -2.456 1.00 . A A . 24 CYS HB3 1 1 8 7211 1 1 24 CYS N N 3.527 1.142 -1.925 1.00 . A A . 24 CYS N 1 1 8 7212 1 1 24 CYS O O 0.825 2.421 -2.085 1.00 . A A . 24 CYS O 1 1 8 7213 1 1 24 CYS SG S 2.632 -1.848 -1.646 1.00 . A A . 24 CYS SG 1 1 8 7214 1 1 25 VAL C C -0.649 3.393 -4.715 1.00 . A A . 25 VAL C 1 1 8 7215 1 1 25 VAL CA C 0.854 3.581 -4.678 1.00 . A A . 25 VAL CA 1 1 8 7216 1 1 25 VAL CB C 1.388 4.146 -5.984 1.00 . A A . 25 VAL CB 1 1 8 7217 1 1 25 VAL CG1 C 2.816 4.656 -5.728 1.00 . A A . 25 VAL CG1 1 1 8 7218 1 1 25 VAL CG2 C 1.370 3.108 -7.114 1.00 . A A . 25 VAL CG2 1 1 8 7219 1 1 25 VAL H H 2.093 1.935 -4.904 1.00 . A A . 25 VAL H 1 1 8 7220 1 1 25 VAL HA H 0.994 4.353 -3.937 1.00 . A A . 25 VAL HA 1 1 8 7221 1 1 25 VAL HB H 0.767 5.019 -6.296 1.00 . A A . 25 VAL HB 1 1 8 7222 1 1 25 VAL HG11 H 2.813 5.469 -4.970 1.00 . A A . 25 VAL HG11 1 1 8 7223 1 1 25 VAL HG12 H 3.256 5.060 -6.665 1.00 . A A . 25 VAL HG12 1 1 8 7224 1 1 25 VAL HG13 H 3.465 3.835 -5.356 1.00 . A A . 25 VAL HG13 1 1 8 7225 1 1 25 VAL HG21 H 2.001 2.227 -6.878 1.00 . A A . 25 VAL HG21 1 1 8 7226 1 1 25 VAL HG22 H 1.777 3.565 -8.041 1.00 . A A . 25 VAL HG22 1 1 8 7227 1 1 25 VAL HG23 H 0.336 2.771 -7.331 1.00 . A A . 25 VAL HG23 1 1 8 7228 1 1 25 VAL N N 1.617 2.444 -4.190 1.00 . A A . 25 VAL N 1 1 8 7229 1 1 25 VAL O O -1.413 4.355 -4.704 1.00 . A A . 25 VAL O 1 1 8 7230 1 1 26 ASP C C -3.200 2.058 -3.430 1.00 . A A . 26 ASP C 1 1 8 7231 1 1 26 ASP CA C -2.559 1.888 -4.800 1.00 . A A . 26 ASP CA 1 1 8 7232 1 1 26 ASP CB C -2.938 0.503 -5.382 1.00 . A A . 26 ASP CB 1 1 8 7233 1 1 26 ASP CG C -4.407 0.487 -5.803 1.00 . A A . 26 ASP CG 1 1 8 7234 1 1 26 ASP H H -0.480 1.383 -4.764 1.00 . A A . 26 ASP H 1 1 8 7235 1 1 26 ASP HA H -2.993 2.646 -5.440 1.00 . A A . 26 ASP HA 1 1 8 7236 1 1 26 ASP HB2 H -2.345 0.335 -6.298 1.00 . A A . 26 ASP HB2 1 1 8 7237 1 1 26 ASP HB3 H -2.737 -0.294 -4.639 1.00 . A A . 26 ASP HB3 1 1 8 7238 1 1 26 ASP HD2 H -6.024 -0.512 -5.566 1.00 . A A . 26 ASP HD2 1 1 8 7239 1 1 26 ASP N N -1.130 2.136 -4.782 1.00 . A A . 26 ASP N 1 1 8 7240 1 1 26 ASP O O -2.657 1.678 -2.397 1.00 . A A . 26 ASP O 1 1 8 7241 1 1 26 ASP OD1 O -4.949 1.361 -6.451 1.00 . A A . 26 ASP OD1 1 1 8 7242 1 1 26 ASP OD2 O -5.078 -0.610 -5.360 1.00 . A A . 26 ASP OD2 1 1 8 7243 1 1 27 VAL C C -5.926 1.791 -1.684 1.00 . A A . 27 VAL C 1 1 8 7244 1 1 27 VAL CA C -5.139 2.958 -2.239 1.00 . A A . 27 VAL CA 1 1 8 7245 1 1 27 VAL CB C -6.058 4.154 -2.443 1.00 . A A . 27 VAL CB 1 1 8 7246 1 1 27 VAL CG1 C -5.294 5.276 -3.168 1.00 . A A . 27 VAL CG1 1 1 8 7247 1 1 27 VAL CG2 C -7.338 3.785 -3.210 1.00 . A A . 27 VAL CG2 1 1 8 7248 1 1 27 VAL H H -4.820 2.913 -4.294 1.00 . A A . 27 VAL H 1 1 8 7249 1 1 27 VAL HA H -4.433 3.239 -1.470 1.00 . A A . 27 VAL HA 1 1 8 7250 1 1 27 VAL HB H -6.358 4.535 -1.446 1.00 . A A . 27 VAL HB 1 1 8 7251 1 1 27 VAL HG11 H -4.315 5.453 -2.682 1.00 . A A . 27 VAL HG11 1 1 8 7252 1 1 27 VAL HG12 H -5.881 6.220 -3.139 1.00 . A A . 27 VAL HG12 1 1 8 7253 1 1 27 VAL HG13 H -5.116 5.020 -4.233 1.00 . A A . 27 VAL HG13 1 1 8 7254 1 1 27 VAL HG21 H -7.879 4.712 -3.481 1.00 . A A . 27 VAL HG21 1 1 8 7255 1 1 27 VAL HG22 H -8.012 3.170 -2.574 1.00 . A A . 27 VAL HG22 1 1 8 7256 1 1 27 VAL HG23 H -7.108 3.225 -4.139 1.00 . A A . 27 VAL HG23 1 1 8 7257 1 1 27 VAL N N -4.404 2.637 -3.435 1.00 . A A . 27 VAL N 1 1 8 7258 1 1 27 VAL O O -6.380 0.896 -2.397 1.00 . A A . 27 VAL O 1 1 8 7259 1 1 28 ARG C C -8.118 1.572 0.992 1.00 . A A . 28 ARG C 1 1 8 7260 1 1 28 ARG CA C -6.948 0.858 0.340 1.00 . A A . 28 ARG CA 1 1 8 7261 1 1 28 ARG CB C -6.117 0.120 1.404 1.00 . A A . 28 ARG CB 1 1 8 7262 1 1 28 ARG CD C -5.572 -2.065 0.152 1.00 . A A . 28 ARG CD 1 1 8 7263 1 1 28 ARG CG C -5.033 -0.791 0.802 1.00 . A A . 28 ARG CG 1 1 8 7264 1 1 28 ARG CZ C -6.720 -4.095 1.083 1.00 . A A . 28 ARG CZ 1 1 8 7265 1 1 28 ARG H H -5.639 2.481 0.203 1.00 . A A . 28 ARG H 1 1 8 7266 1 1 28 ARG HA H -7.365 0.140 -0.350 1.00 . A A . 28 ARG HA 1 1 8 7267 1 1 28 ARG HB2 H -5.606 0.888 2.026 1.00 . A A . 28 ARG HB2 1 1 8 7268 1 1 28 ARG HB3 H -6.772 -0.483 2.065 1.00 . A A . 28 ARG HB3 1 1 8 7269 1 1 28 ARG HD2 H -6.438 -1.867 -0.509 1.00 . A A . 28 ARG HD2 1 1 8 7270 1 1 28 ARG HD3 H -4.762 -2.574 -0.407 1.00 . A A . 28 ARG HD3 1 1 8 7271 1 1 28 ARG HE H -5.789 -2.682 2.203 1.00 . A A . 28 ARG HE 1 1 8 7272 1 1 28 ARG HG2 H -4.459 -0.218 0.041 1.00 . A A . 28 ARG HG2 1 1 8 7273 1 1 28 ARG HG3 H -4.329 -1.089 1.615 1.00 . A A . 28 ARG HG3 1 1 8 7274 1 1 28 ARG HH11 H -6.780 -4.026 -0.962 1.00 . A A . 28 ARG HH11 1 1 8 7275 1 1 28 ARG HH12 H -7.556 -5.403 -0.250 1.00 . A A . 28 ARG HH12 1 1 8 7276 1 1 28 ARG HH21 H -6.792 -4.389 3.076 1.00 . A A . 28 ARG HH21 1 1 8 7277 1 1 28 ARG HH22 H -7.595 -5.634 2.128 1.00 . A A . 28 ARG HH22 1 1 8 7278 1 1 28 ARG N N -6.110 1.802 -0.357 1.00 . A A . 28 ARG N 1 1 8 7279 1 1 28 ARG NE N -6.014 -2.945 1.264 1.00 . A A . 28 ARG NE 1 1 8 7280 1 1 28 ARG NH1 N -7.040 -4.553 -0.155 1.00 . A A . 28 ARG NH1 1 1 8 7281 1 1 28 ARG NH2 N -7.087 -4.777 2.201 1.00 . A A . 28 ARG NH2 1 1 8 7282 1 1 28 ARG O O -8.114 2.783 1.195 1.00 . A A . 28 ARG O 1 1 8 7283 1 1 29 GLU C C -10.006 1.688 3.525 1.00 . A A . 29 GLU C 1 1 8 7284 1 1 29 GLU CA C -10.316 1.139 2.144 1.00 . A A . 29 GLU CA 1 1 8 7285 1 1 29 GLU CB C -11.198 -0.113 2.288 1.00 . A A . 29 GLU CB 1 1 8 7286 1 1 29 GLU CD C -13.054 -1.449 1.162 1.00 . A A . 29 GLU CD 1 1 8 7287 1 1 29 GLU CG C -11.902 -0.473 0.961 1.00 . A A . 29 GLU CG 1 1 8 7288 1 1 29 GLU H H -9.110 -0.173 1.125 1.00 . A A . 29 GLU H 1 1 8 7289 1 1 29 GLU HA H -10.856 1.920 1.633 1.00 . A A . 29 GLU HA 1 1 8 7290 1 1 29 GLU HB2 H -10.548 -0.949 2.625 1.00 . A A . 29 GLU HB2 1 1 8 7291 1 1 29 GLU HB3 H -11.967 0.058 3.070 1.00 . A A . 29 GLU HB3 1 1 8 7292 1 1 29 GLU HE2 H -13.454 -3.239 1.681 1.00 . A A . 29 GLU HE2 1 1 8 7293 1 1 29 GLU HG2 H -12.345 0.448 0.519 1.00 . A A . 29 GLU HG2 1 1 8 7294 1 1 29 GLU HG3 H -11.194 -0.905 0.223 1.00 . A A . 29 GLU HG3 1 1 8 7295 1 1 29 GLU N N -9.176 0.799 1.311 1.00 . A A . 29 GLU N 1 1 8 7296 1 1 29 GLU O O -10.763 2.457 4.125 1.00 . A A . 29 GLU O 1 1 8 7297 1 1 29 GLU OE1 O -14.224 -1.212 0.927 1.00 . A A . 29 GLU OE1 1 1 8 7298 1 1 29 GLU OE2 O -12.660 -2.673 1.635 1.00 . A A . 29 GLU OE2 1 1 8 7299 1 1 30 SER C C -6.959 1.294 5.427 1.00 . A A . 30 SER C 1 1 8 7300 1 1 30 SER CA C -8.459 1.364 5.436 1.00 . A A . 30 SER CA 1 1 8 7301 1 1 30 SER CB C -8.955 0.158 6.308 1.00 . A A . 30 SER CB 1 1 8 7302 1 1 30 SER H H -8.265 0.730 3.457 1.00 . A A . 30 SER H 1 1 8 7303 1 1 30 SER HA H -8.754 2.328 5.825 1.00 . A A . 30 SER HA 1 1 8 7304 1 1 30 SER HB2 H -8.588 -0.798 5.864 1.00 . A A . 30 SER HB2 1 1 8 7305 1 1 30 SER HB3 H -8.556 0.211 7.344 1.00 . A A . 30 SER HB3 1 1 8 7306 1 1 30 SER HG H -10.551 -0.637 7.049 1.00 . A A . 30 SER HG 1 1 8 7307 1 1 30 SER N N -8.863 1.256 4.052 1.00 . A A . 30 SER N 1 1 8 7308 1 1 30 SER O O -6.340 1.308 4.366 1.00 . A A . 30 SER O 1 1 8 7309 1 1 30 SER OG O -10.378 0.092 6.415 1.00 . A A . 30 SER OG 1 1 8 7310 1 1 31 CYS C C -4.605 -0.180 7.663 1.00 . A A . 31 CYS C 1 1 8 7311 1 1 31 CYS CA C -4.902 0.943 6.675 1.00 . A A . 31 CYS CA 1 1 8 7312 1 1 31 CYS CB C -4.181 2.269 7.022 1.00 . A A . 31 CYS CB 1 1 8 7313 1 1 31 CYS H H -6.798 1.298 7.476 1.00 . A A . 31 CYS H 1 1 8 7314 1 1 31 CYS HA H -4.546 0.584 5.716 1.00 . A A . 31 CYS HA 1 1 8 7315 1 1 31 CYS HB2 H -4.749 3.073 6.485 1.00 . A A . 31 CYS HB2 1 1 8 7316 1 1 31 CYS HB3 H -4.258 2.468 8.119 1.00 . A A . 31 CYS HB3 1 1 8 7317 1 1 31 CYS N N -6.318 1.199 6.599 1.00 . A A . 31 CYS N 1 1 8 7318 1 1 31 CYS O O -5.421 -1.067 7.908 1.00 . A A . 31 CYS O 1 1 8 7319 1 1 31 CYS SG S -2.457 2.330 6.430 1.00 . A A . 31 CYS SG 1 1 8 7320 1 1 32 HIS C C -1.597 -0.601 9.658 1.00 . A A . 32 HIS C 1 1 8 7321 1 1 32 HIS CA C -2.843 -1.196 9.071 1.00 . A A . 32 HIS CA 1 1 8 7322 1 1 32 HIS CB C -2.480 -2.435 8.233 1.00 . A A . 32 HIS CB 1 1 8 7323 1 1 32 HIS CD2 C -0.751 -3.897 9.518 1.00 . A A . 32 HIS CD2 1 1 8 7324 1 1 32 HIS CE1 C -1.767 -5.797 9.195 1.00 . A A . 32 HIS CE1 1 1 8 7325 1 1 32 HIS CG C -1.933 -3.647 8.913 1.00 . A A . 32 HIS CG 1 1 8 7326 1 1 32 HIS H H -2.734 0.553 8.002 1.00 . A A . 32 HIS H 1 1 8 7327 1 1 32 HIS HA H -3.528 -1.442 9.860 1.00 . A A . 32 HIS HA 1 1 8 7328 1 1 32 HIS HB2 H -3.423 -2.775 7.744 1.00 . A A . 32 HIS HB2 1 1 8 7329 1 1 32 HIS HB3 H -1.755 -2.124 7.453 1.00 . A A . 32 HIS HB3 1 1 8 7330 1 1 32 HIS HD1 H -3.378 -4.985 8.186 1.00 . A A . 32 HIS HD1 1 1 8 7331 1 1 32 HIS HD2 H 0.025 -3.216 9.835 1.00 . A A . 32 HIS HD2 1 1 8 7332 1 1 32 HIS HE1 H -2.006 -6.833 9.121 1.00 . A A . 32 HIS HE1 1 1 8 7333 1 1 32 HIS HE2 H 0.112 -5.742 10.083 1.00 . A A . 32 HIS HE2 1 1 8 7334 1 1 32 HIS N N -3.381 -0.177 8.213 1.00 . A A . 32 HIS N 1 1 8 7335 1 1 32 HIS ND1 N -2.545 -4.847 8.720 1.00 . A A . 32 HIS ND1 1 1 8 7336 1 1 32 HIS NE2 N -0.663 -5.252 9.680 1.00 . A A . 32 HIS NE2 1 1 8 7337 1 1 32 HIS O O -0.957 0.242 9.036 1.00 . A A . 32 HIS O 1 1 8 7338 1 1 33 SER C C 1.309 -0.955 11.039 1.00 . A A . 33 SER C 1 1 8 7339 1 1 33 SER CA C -0.033 -0.470 11.566 1.00 . A A . 33 SER CA 1 1 8 7340 1 1 33 SER CB C -0.037 -0.812 13.077 1.00 . A A . 33 SER CB 1 1 8 7341 1 1 33 SER H H -1.705 -1.747 11.334 1.00 . A A . 33 SER H 1 1 8 7342 1 1 33 SER HA H -0.070 0.607 11.441 1.00 . A A . 33 SER HA 1 1 8 7343 1 1 33 SER HB2 H 0.028 -1.916 13.211 1.00 . A A . 33 SER HB2 1 1 8 7344 1 1 33 SER HB3 H 0.844 -0.365 13.596 1.00 . A A . 33 SER HB3 1 1 8 7345 1 1 33 SER HG H -1.229 -0.774 14.587 1.00 . A A . 33 SER HG 1 1 8 7346 1 1 33 SER N N -1.173 -1.047 10.849 1.00 . A A . 33 SER N 1 1 8 7347 1 1 33 SER O O 2.304 -1.006 11.754 1.00 . A A . 33 SER O 1 1 8 7348 1 1 33 SER OG O -1.221 -0.337 13.717 1.00 . A A . 33 SER OG 1 1 8 7349 1 1 34 ALA C C 3.267 -0.558 8.382 1.00 . A A . 34 ALA C 1 1 8 7350 1 1 34 ALA CA C 2.573 -1.732 9.064 1.00 . A A . 34 ALA CA 1 1 8 7351 1 1 34 ALA CB C 2.173 -2.789 8.018 1.00 . A A . 34 ALA CB 1 1 8 7352 1 1 34 ALA H H 0.573 -1.212 9.170 1.00 . A A . 34 ALA H 1 1 8 7353 1 1 34 ALA HA H 3.268 -2.145 9.776 1.00 . A A . 34 ALA HA 1 1 8 7354 1 1 34 ALA HB1 H 1.467 -2.374 7.269 1.00 . A A . 34 ALA HB1 1 1 8 7355 1 1 34 ALA HB2 H 1.698 -3.656 8.519 1.00 . A A . 34 ALA HB2 1 1 8 7356 1 1 34 ALA HB3 H 3.068 -3.177 7.486 1.00 . A A . 34 ALA HB3 1 1 8 7357 1 1 34 ALA N N 1.379 -1.305 9.744 1.00 . A A . 34 ALA N 1 1 8 7358 1 1 34 ALA O O 4.318 -0.687 7.757 1.00 . A A . 34 ALA O 1 1 8 7359 1 1 35 CYS C C 2.821 3.027 8.751 1.00 . A A . 35 CYS C 1 1 8 7360 1 1 35 CYS CA C 3.234 1.833 7.913 1.00 . A A . 35 CYS CA 1 1 8 7361 1 1 35 CYS CB C 2.748 1.975 6.463 1.00 . A A . 35 CYS CB 1 1 8 7362 1 1 35 CYS H H 1.816 0.771 8.956 1.00 . A A . 35 CYS H 1 1 8 7363 1 1 35 CYS HA H 4.312 1.761 7.963 1.00 . A A . 35 CYS HA 1 1 8 7364 1 1 35 CYS HB2 H 2.825 0.959 6.004 1.00 . A A . 35 CYS HB2 1 1 8 7365 1 1 35 CYS HB3 H 1.668 2.264 6.480 1.00 . A A . 35 CYS HB3 1 1 8 7366 1 1 35 CYS N N 2.671 0.642 8.471 1.00 . A A . 35 CYS N 1 1 8 7367 1 1 35 CYS O O 1.765 3.031 9.377 1.00 . A A . 35 CYS O 1 1 8 7368 1 1 35 CYS SG S 3.777 3.113 5.495 1.00 . A A . 35 CYS SG 1 1 8 7369 1 1 36 ASP C C 2.514 6.163 9.401 1.00 . A A . 36 ASP C 1 1 8 7370 1 1 36 ASP CA C 3.581 5.139 9.762 1.00 . A A . 36 ASP CA 1 1 8 7371 1 1 36 ASP CB C 4.972 5.807 9.951 1.00 . A A . 36 ASP CB 1 1 8 7372 1 1 36 ASP CG C 6.034 4.743 10.181 1.00 . A A . 36 ASP CG 1 1 8 7373 1 1 36 ASP H H 4.505 4.079 8.243 1.00 . A A . 36 ASP H 1 1 8 7374 1 1 36 ASP HA H 3.273 4.708 10.711 1.00 . A A . 36 ASP HA 1 1 8 7375 1 1 36 ASP HB2 H 5.284 6.410 9.074 1.00 . A A . 36 ASP HB2 1 1 8 7376 1 1 36 ASP HB3 H 4.948 6.460 10.851 1.00 . A A . 36 ASP HB3 1 1 8 7377 1 1 36 ASP HD2 H 7.197 3.561 9.204 1.00 . A A . 36 ASP HD2 1 1 8 7378 1 1 36 ASP N N 3.670 4.073 8.789 1.00 . A A . 36 ASP N 1 1 8 7379 1 1 36 ASP O O 1.425 6.162 9.959 1.00 . A A . 36 ASP O 1 1 8 7380 1 1 36 ASP OD1 O 6.416 4.315 11.250 1.00 . A A . 36 ASP OD1 1 1 8 7381 1 1 36 ASP OD2 O 6.545 4.262 8.998 1.00 . A A . 36 ASP OD2 1 1 8 7382 1 1 37 LYS C C 0.794 7.767 7.132 1.00 . A A . 37 LYS C 1 1 8 7383 1 1 37 LYS CA C 1.882 8.155 8.111 1.00 . A A . 37 LYS CA 1 1 8 7384 1 1 37 LYS CB C 2.685 9.345 7.537 1.00 . A A . 37 LYS CB 1 1 8 7385 1 1 37 LYS CD C 1.766 11.288 8.891 1.00 . A A . 37 LYS CD 1 1 8 7386 1 1 37 LYS CE C 1.021 12.622 8.896 1.00 . A A . 37 LYS CE 1 1 8 7387 1 1 37 LYS CG C 1.912 10.671 7.496 1.00 . A A . 37 LYS CG 1 1 8 7388 1 1 37 LYS H H 3.636 7.059 7.950 1.00 . A A . 37 LYS H 1 1 8 7389 1 1 37 LYS HA H 1.391 8.462 9.022 1.00 . A A . 37 LYS HA 1 1 8 7390 1 1 37 LYS HB2 H 3.595 9.493 8.158 1.00 . A A . 37 LYS HB2 1 1 8 7391 1 1 37 LYS HB3 H 3.051 9.106 6.520 1.00 . A A . 37 LYS HB3 1 1 8 7392 1 1 37 LYS HD2 H 1.225 10.579 9.553 1.00 . A A . 37 LYS HD2 1 1 8 7393 1 1 37 LYS HD3 H 2.782 11.437 9.328 1.00 . A A . 37 LYS HD3 1 1 8 7394 1 1 37 LYS HE2 H 1.549 13.364 8.263 1.00 . A A . 37 LYS HE2 1 1 8 7395 1 1 37 LYS HE3 H -0.022 12.498 8.537 1.00 . A A . 37 LYS HE3 1 1 8 7396 1 1 37 LYS HG2 H 2.467 11.381 6.847 1.00 . A A . 37 LYS HG2 1 1 8 7397 1 1 37 LYS HG3 H 0.912 10.513 7.037 1.00 . A A . 37 LYS HG3 1 1 8 7398 1 1 37 LYS HZ1 H 1.936 13.285 10.630 1.00 . A A . 37 LYS HZ1 1 1 8 7399 1 1 37 LYS HZ2 H 0.467 12.476 10.884 1.00 . A A . 37 LYS HZ2 1 1 8 7400 1 1 37 LYS HZ3 H 0.470 14.062 10.281 1.00 . A A . 37 LYS HZ3 1 1 8 7401 1 1 37 LYS N N 2.774 7.059 8.429 1.00 . A A . 37 LYS N 1 1 8 7402 1 1 37 LYS NZ N 0.970 13.151 10.271 1.00 . A A . 37 LYS NZ 1 1 8 7403 1 1 37 LYS O O 0.782 8.155 5.962 1.00 . A A . 37 LYS O 1 1 8 7404 1 1 38 CYS C C -2.446 7.566 7.030 1.00 . A A . 38 CYS C 1 1 8 7405 1 1 38 CYS CA C -1.323 6.575 6.845 1.00 . A A . 38 CYS CA 1 1 8 7406 1 1 38 CYS CB C -1.734 5.140 7.209 1.00 . A A . 38 CYS CB 1 1 8 7407 1 1 38 CYS H H -0.080 6.566 8.516 1.00 . A A . 38 CYS H 1 1 8 7408 1 1 38 CYS HA H -1.075 6.607 5.797 1.00 . A A . 38 CYS HA 1 1 8 7409 1 1 38 CYS HB2 H -0.817 4.650 7.626 1.00 . A A . 38 CYS HB2 1 1 8 7410 1 1 38 CYS HB3 H -2.499 5.141 8.017 1.00 . A A . 38 CYS HB3 1 1 8 7411 1 1 38 CYS N N -0.153 6.943 7.593 1.00 . A A . 38 CYS N 1 1 8 7412 1 1 38 CYS O O -3.055 7.661 8.096 1.00 . A A . 38 CYS O 1 1 8 7413 1 1 38 CYS SG S -2.293 4.222 5.746 1.00 . A A . 38 CYS SG 1 1 8 7414 1 1 39 VAL C C -4.892 8.767 5.137 1.00 . A A . 39 VAL C 1 1 8 7415 1 1 39 VAL CA C -3.784 9.332 5.998 1.00 . A A . 39 VAL CA 1 1 8 7416 1 1 39 VAL CB C -3.301 10.677 5.485 1.00 . A A . 39 VAL CB 1 1 8 7417 1 1 39 VAL CG1 C -1.913 10.996 6.050 1.00 . A A . 39 VAL CG1 1 1 8 7418 1 1 39 VAL CG2 C -3.200 10.728 3.968 1.00 . A A . 39 VAL CG2 1 1 8 7419 1 1 39 VAL H H -2.251 8.289 5.107 1.00 . A A . 39 VAL H 1 1 8 7420 1 1 39 VAL HA H -4.159 9.486 6.995 1.00 . A A . 39 VAL HA 1 1 8 7421 1 1 39 VAL HB H -3.999 11.473 5.791 1.00 . A A . 39 VAL HB 1 1 8 7422 1 1 39 VAL HG11 H -1.914 10.921 7.156 1.00 . A A . 39 VAL HG11 1 1 8 7423 1 1 39 VAL HG12 H -1.642 12.031 5.751 1.00 . A A . 39 VAL HG12 1 1 8 7424 1 1 39 VAL HG13 H -1.159 10.300 5.624 1.00 . A A . 39 VAL HG13 1 1 8 7425 1 1 39 VAL HG21 H -4.212 10.746 3.519 1.00 . A A . 39 VAL HG21 1 1 8 7426 1 1 39 VAL HG22 H -2.624 9.843 3.631 1.00 . A A . 39 VAL HG22 1 1 8 7427 1 1 39 VAL HG23 H -2.675 11.673 3.712 1.00 . A A . 39 VAL HG23 1 1 8 7428 1 1 39 VAL N N -2.726 8.357 5.986 1.00 . A A . 39 VAL N 1 1 8 7429 1 1 39 VAL O O -4.659 7.861 4.331 1.00 . A A . 39 VAL O 1 1 8 7430 1 1 40 CYS C C -8.206 9.789 4.134 1.00 . A A . 40 CYS C 1 1 8 7431 1 1 40 CYS CA C -7.226 8.722 4.527 1.00 . A A . 40 CYS CA 1 1 8 7432 1 1 40 CYS CB C -8.018 7.731 5.400 1.00 . A A . 40 CYS CB 1 1 8 7433 1 1 40 CYS H H -6.363 9.967 5.945 1.00 . A A . 40 CYS H 1 1 8 7434 1 1 40 CYS HA H -6.899 8.247 3.623 1.00 . A A . 40 CYS HA 1 1 8 7435 1 1 40 CYS HB2 H -8.298 8.265 6.321 1.00 . A A . 40 CYS HB2 1 1 8 7436 1 1 40 CYS HB3 H -8.962 7.477 4.889 1.00 . A A . 40 CYS HB3 1 1 8 7437 1 1 40 CYS N N -6.119 9.299 5.235 1.00 . A A . 40 CYS N 1 1 8 7438 1 1 40 CYS O O -8.719 10.563 4.937 1.00 . A A . 40 CYS O 1 1 8 7439 1 1 40 CYS SG S -7.144 6.197 5.834 1.00 . A A . 40 CYS SG 1 1 8 7440 1 1 41 ALA C C -10.930 10.013 2.716 1.00 . A A . 41 ALA C 1 1 8 7441 1 1 41 ALA CA C -9.596 10.604 2.310 1.00 . A A . 41 ALA CA 1 1 8 7442 1 1 41 ALA CB C -9.499 10.809 0.797 1.00 . A A . 41 ALA CB 1 1 8 7443 1 1 41 ALA H H -8.175 9.095 2.264 1.00 . A A . 41 ALA H 1 1 8 7444 1 1 41 ALA HA H -9.557 11.594 2.746 1.00 . A A . 41 ALA HA 1 1 8 7445 1 1 41 ALA HB1 H -10.291 11.514 0.469 1.00 . A A . 41 ALA HB1 1 1 8 7446 1 1 41 ALA HB2 H -9.610 9.850 0.254 1.00 . A A . 41 ALA HB2 1 1 8 7447 1 1 41 ALA HB3 H -8.513 11.255 0.553 1.00 . A A . 41 ALA HB3 1 1 8 7448 1 1 41 ALA N N -8.488 9.857 2.829 1.00 . A A . 41 ALA N 1 1 8 7449 1 1 41 ALA O O -11.209 8.829 2.537 1.00 . A A . 41 ALA O 1 1 8 7450 1 1 42 TYR C C -14.197 10.471 2.719 1.00 . A A . 42 TYR C 1 1 8 7451 1 1 42 TYR CA C -13.113 10.596 3.778 1.00 . A A . 42 TYR CA 1 1 8 7452 1 1 42 TYR CB C -13.435 11.745 4.773 1.00 . A A . 42 TYR CB 1 1 8 7453 1 1 42 TYR CD1 C -13.756 13.662 3.141 1.00 . A A . 42 TYR CD1 1 1 8 7454 1 1 42 TYR CD2 C -11.817 13.709 4.585 1.00 . A A . 42 TYR CD2 1 1 8 7455 1 1 42 TYR CE1 C -13.292 14.803 2.477 1.00 . A A . 42 TYR CE1 1 1 8 7456 1 1 42 TYR CE2 C -11.361 14.861 3.930 1.00 . A A . 42 TYR CE2 1 1 8 7457 1 1 42 TYR CG C -13.024 13.091 4.196 1.00 . A A . 42 TYR CG 1 1 8 7458 1 1 42 TYR CZ C -12.094 15.402 2.871 1.00 . A A . 42 TYR CZ 1 1 8 7459 1 1 42 TYR H H -11.539 11.828 3.326 1.00 . A A . 42 TYR H 1 1 8 7460 1 1 42 TYR HA H -13.067 9.654 4.295 1.00 . A A . 42 TYR HA 1 1 8 7461 1 1 42 TYR HB2 H -14.510 11.771 5.052 1.00 . A A . 42 TYR HB2 1 1 8 7462 1 1 42 TYR HB3 H -12.829 11.538 5.678 1.00 . A A . 42 TYR HB3 1 1 8 7463 1 1 42 TYR HD1 H -14.662 13.191 2.790 1.00 . A A . 42 TYR HD1 1 1 8 7464 1 1 42 TYR HD2 H -11.187 13.273 5.344 1.00 . A A . 42 TYR HD2 1 1 8 7465 1 1 42 TYR HE1 H -13.863 15.211 1.658 1.00 . A A . 42 TYR HE1 1 1 8 7466 1 1 42 TYR HE2 H -10.423 15.309 4.222 1.00 . A A . 42 TYR HE2 1 1 8 7467 1 1 42 TYR HH H -12.060 16.547 1.315 1.00 . A A . 42 TYR HH 1 1 8 7468 1 1 42 TYR N N -11.811 10.879 3.214 1.00 . A A . 42 TYR N 1 1 8 7469 1 1 42 TYR O O -15.379 10.703 2.946 1.00 . A A . 42 TYR O 1 1 8 7470 1 1 42 TYR OH O -11.601 16.523 2.178 1.00 . A A . 42 TYR OH 1 1 8 7471 1 1 43 SER C C -15.549 8.752 0.362 1.00 . A A . 43 SER C 1 1 8 7472 1 1 43 SER CA C -14.500 9.858 0.297 1.00 . A A . 43 SER CA 1 1 8 7473 1 1 43 SER CB C -13.513 9.543 -0.864 1.00 . A A . 43 SER CB 1 1 8 7474 1 1 43 SER H H -12.782 9.942 1.472 1.00 . A A . 43 SER H 1 1 8 7475 1 1 43 SER HA H -15.024 10.766 0.052 1.00 . A A . 43 SER HA 1 1 8 7476 1 1 43 SER HB2 H -13.061 8.534 -0.705 1.00 . A A . 43 SER HB2 1 1 8 7477 1 1 43 SER HB3 H -14.046 9.571 -1.839 1.00 . A A . 43 SER HB3 1 1 8 7478 1 1 43 SER HG H -12.017 10.350 -1.793 1.00 . A A . 43 SER HG 1 1 8 7479 1 1 43 SER N N -13.762 10.098 1.519 1.00 . A A . 43 SER N 1 1 8 7480 1 1 43 SER O O -15.956 8.263 1.415 1.00 . A A . 43 SER O 1 1 8 7481 1 1 43 SER OG O -12.458 10.497 -0.930 1.00 . A A . 43 SER OG 1 1 8 7482 1 1 44 ASN C C -16.525 6.527 -2.306 1.00 . A A . 44 ASN C 1 1 8 7483 1 1 44 ASN CA C -16.921 7.231 -1.010 1.00 . A A . 44 ASN CA 1 1 8 7484 1 1 44 ASN CB C -18.320 7.865 -1.154 1.00 . A A . 44 ASN CB 1 1 8 7485 1 1 44 ASN CG C -19.458 6.850 -1.153 1.00 . A A . 44 ASN CG 1 1 8 7486 1 1 44 ASN H H -15.713 8.745 -1.658 1.00 . A A . 44 ASN H 1 1 8 7487 1 1 44 ASN HA H -16.886 6.561 -0.171 1.00 . A A . 44 ASN HA 1 1 8 7488 1 1 44 ASN HB2 H -18.457 8.525 -0.275 1.00 . A A . 44 ASN HB2 1 1 8 7489 1 1 44 ASN HB3 H -18.359 8.518 -2.046 1.00 . A A . 44 ASN HB3 1 1 8 7490 1 1 44 ASN HD21 H -19.145 6.283 -3.103 1.00 . A A . 44 ASN HD21 1 1 8 7491 1 1 44 ASN HD22 H -20.464 5.519 -2.307 1.00 . A A . 44 ASN HD22 1 1 8 7492 1 1 44 ASN N N -15.968 8.282 -0.823 1.00 . A A . 44 ASN N 1 1 8 7493 1 1 44 ASN ND2 N -19.690 6.148 -2.282 1.00 . A A . 44 ASN ND2 1 1 8 7494 1 1 44 ASN O O -16.707 7.094 -3.388 1.00 . A A . 44 ASN O 1 1 8 7495 1 1 44 ASN OD1 O -20.144 6.697 -0.139 1.00 . A A . 44 ASN OD1 1 1 8 7496 1 1 45 PRO C C -14.236 5.354 -0.510 1.00 . A A . 45 PRO C 1 1 8 7497 1 1 45 PRO CA C -15.473 4.652 -1.070 1.00 . A A . 45 PRO CA 1 1 8 7498 1 1 45 PRO CB C -15.144 3.250 -1.601 1.00 . A A . 45 PRO CB 1 1 8 7499 1 1 45 PRO CD C -15.506 4.672 -3.499 1.00 . A A . 45 PRO CD 1 1 8 7500 1 1 45 PRO CG C -14.645 3.499 -3.026 1.00 . A A . 45 PRO CG 1 1 8 7501 1 1 45 PRO HA H -16.237 4.654 -0.309 1.00 . A A . 45 PRO HA 1 1 8 7502 1 1 45 PRO HB2 H -14.428 2.700 -0.969 1.00 . A A . 45 PRO HB2 1 1 8 7503 1 1 45 PRO HB3 H -16.071 2.648 -1.617 1.00 . A A . 45 PRO HB3 1 1 8 7504 1 1 45 PRO HD2 H -14.909 5.373 -4.123 1.00 . A A . 45 PRO HD2 1 1 8 7505 1 1 45 PRO HD3 H -16.388 4.312 -4.071 1.00 . A A . 45 PRO HD3 1 1 8 7506 1 1 45 PRO HG2 H -13.580 3.812 -2.996 1.00 . A A . 45 PRO HG2 1 1 8 7507 1 1 45 PRO HG3 H -14.729 2.612 -3.681 1.00 . A A . 45 PRO HG3 1 1 8 7508 1 1 45 PRO N N -15.968 5.323 -2.268 1.00 . A A . 45 PRO N 1 1 8 7509 1 1 45 PRO O O -13.642 6.156 -1.233 1.00 . A A . 45 PRO O 1 1 8 7510 1 1 46 PRO C C -11.401 5.453 0.710 1.00 . A A . 46 PRO C 1 1 8 7511 1 1 46 PRO CA C -12.716 5.875 1.318 1.00 . A A . 46 PRO CA 1 1 8 7512 1 1 46 PRO CB C -12.778 5.521 2.801 1.00 . A A . 46 PRO CB 1 1 8 7513 1 1 46 PRO CD C -14.476 4.250 1.695 1.00 . A A . 46 PRO CD 1 1 8 7514 1 1 46 PRO CG C -13.474 4.164 2.845 1.00 . A A . 46 PRO CG 1 1 8 7515 1 1 46 PRO HA H -12.831 6.935 1.153 1.00 . A A . 46 PRO HA 1 1 8 7516 1 1 46 PRO HB2 H -11.785 5.515 3.295 1.00 . A A . 46 PRO HB2 1 1 8 7517 1 1 46 PRO HB3 H -13.426 6.263 3.315 1.00 . A A . 46 PRO HB3 1 1 8 7518 1 1 46 PRO HD2 H -14.640 3.231 1.254 1.00 . A A . 46 PRO HD2 1 1 8 7519 1 1 46 PRO HD3 H -15.417 4.739 2.062 1.00 . A A . 46 PRO HD3 1 1 8 7520 1 1 46 PRO HG2 H -12.741 3.354 2.633 1.00 . A A . 46 PRO HG2 1 1 8 7521 1 1 46 PRO HG3 H -13.963 4.004 3.825 1.00 . A A . 46 PRO HG3 1 1 8 7522 1 1 46 PRO N N -13.836 5.151 0.737 1.00 . A A . 46 PRO N 1 1 8 7523 1 1 46 PRO O O -11.296 4.370 0.138 1.00 . A A . 46 PRO O 1 1 8 7524 1 1 47 GLN C C -8.094 6.286 1.263 1.00 . A A . 47 GLN C 1 1 8 7525 1 1 47 GLN CA C -9.106 6.067 0.182 1.00 . A A . 47 GLN CA 1 1 8 7526 1 1 47 GLN CB C -8.798 7.051 -0.977 1.00 . A A . 47 GLN CB 1 1 8 7527 1 1 47 GLN CD C -10.072 6.149 -3.021 1.00 . A A . 47 GLN CD 1 1 8 7528 1 1 47 GLN CG C -9.931 7.282 -2.007 1.00 . A A . 47 GLN CG 1 1 8 7529 1 1 47 GLN H H -10.444 7.150 1.339 1.00 . A A . 47 GLN H 1 1 8 7530 1 1 47 GLN HA H -9.004 5.038 -0.130 1.00 . A A . 47 GLN HA 1 1 8 7531 1 1 47 GLN HB2 H -8.578 8.053 -0.547 1.00 . A A . 47 GLN HB2 1 1 8 7532 1 1 47 GLN HB3 H -7.892 6.699 -1.509 1.00 . A A . 47 GLN HB3 1 1 8 7533 1 1 47 GLN HE21 H -10.847 4.914 -1.600 1.00 . A A . 47 GLN HE21 1 1 8 7534 1 1 47 GLN HE22 H -10.687 4.204 -3.169 1.00 . A A . 47 GLN HE22 1 1 8 7535 1 1 47 GLN HG2 H -10.902 7.447 -1.495 1.00 . A A . 47 GLN HG2 1 1 8 7536 1 1 47 GLN HG3 H -9.686 8.200 -2.583 1.00 . A A . 47 GLN HG3 1 1 8 7537 1 1 47 GLN N N -10.386 6.319 0.783 1.00 . A A . 47 GLN N 1 1 8 7538 1 1 47 GLN NE2 N -10.583 4.991 -2.563 1.00 . A A . 47 GLN NE2 1 1 8 7539 1 1 47 GLN O O -8.296 7.132 2.126 1.00 . A A . 47 GLN O 1 1 8 7540 1 1 47 GLN OE1 O -9.721 6.298 -4.198 1.00 . A A . 47 GLN OE1 1 1 8 7541 1 1 48 CYS C C -4.674 5.235 1.699 1.00 . A A . 48 CYS C 1 1 8 7542 1 1 48 CYS CA C -5.995 5.638 2.285 1.00 . A A . 48 CYS CA 1 1 8 7543 1 1 48 CYS CB C -6.276 4.591 3.395 1.00 . A A . 48 CYS CB 1 1 8 7544 1 1 48 CYS H H -6.855 4.839 0.578 1.00 . A A . 48 CYS H 1 1 8 7545 1 1 48 CYS HA H -5.892 6.632 2.682 1.00 . A A . 48 CYS HA 1 1 8 7546 1 1 48 CYS HB2 H -6.396 3.598 2.904 1.00 . A A . 48 CYS HB2 1 1 8 7547 1 1 48 CYS HB3 H -5.397 4.538 4.075 1.00 . A A . 48 CYS HB3 1 1 8 7548 1 1 48 CYS N N -6.948 5.606 1.205 1.00 . A A . 48 CYS N 1 1 8 7549 1 1 48 CYS O O -4.569 4.294 0.911 1.00 . A A . 48 CYS O 1 1 8 7550 1 1 48 CYS SG S -7.751 4.878 4.418 1.00 . A A . 48 CYS SG 1 1 8 7551 1 1 49 GLN C C -1.342 6.224 2.650 1.00 . A A . 49 GLN C 1 1 8 7552 1 1 49 GLN CA C -2.311 5.930 1.539 1.00 . A A . 49 GLN CA 1 1 8 7553 1 1 49 GLN CB C -2.057 7.001 0.456 1.00 . A A . 49 GLN CB 1 1 8 7554 1 1 49 GLN CD C -2.025 7.526 -1.995 1.00 . A A . 49 GLN CD 1 1 8 7555 1 1 49 GLN CG C -2.558 6.575 -0.930 1.00 . A A . 49 GLN CG 1 1 8 7556 1 1 49 GLN H H -3.769 6.763 2.714 1.00 . A A . 49 GLN H 1 1 8 7557 1 1 49 GLN HA H -2.111 4.930 1.193 1.00 . A A . 49 GLN HA 1 1 8 7558 1 1 49 GLN HB2 H -2.573 7.935 0.778 1.00 . A A . 49 GLN HB2 1 1 8 7559 1 1 49 GLN HB3 H -0.965 7.211 0.369 1.00 . A A . 49 GLN HB3 1 1 8 7560 1 1 49 GLN HE21 H -3.268 9.026 -1.393 1.00 . A A . 49 GLN HE21 1 1 8 7561 1 1 49 GLN HE22 H -2.314 9.349 -2.812 1.00 . A A . 49 GLN HE22 1 1 8 7562 1 1 49 GLN HG2 H -2.171 5.558 -1.167 1.00 . A A . 49 GLN HG2 1 1 8 7563 1 1 49 GLN HG3 H -3.666 6.542 -0.954 1.00 . A A . 49 GLN HG3 1 1 8 7564 1 1 49 GLN N N -3.645 6.026 2.050 1.00 . A A . 49 GLN N 1 1 8 7565 1 1 49 GLN NE2 N -2.622 8.732 -2.094 1.00 . A A . 49 GLN NE2 1 1 8 7566 1 1 49 GLN O O -1.541 7.134 3.454 1.00 . A A . 49 GLN O 1 1 8 7567 1 1 49 GLN OE1 O -1.073 7.214 -2.711 1.00 . A A . 49 GLN OE1 1 1 8 7568 1 1 50 CYS C C 1.895 6.647 2.905 1.00 . A A . 50 CYS C 1 1 8 7569 1 1 50 CYS CA C 0.869 5.763 3.573 1.00 . A A . 50 CYS CA 1 1 8 7570 1 1 50 CYS CB C 1.551 4.478 4.087 1.00 . A A . 50 CYS CB 1 1 8 7571 1 1 50 CYS H H -0.114 4.743 2.014 1.00 . A A . 50 CYS H 1 1 8 7572 1 1 50 CYS HA H 0.507 6.319 4.424 1.00 . A A . 50 CYS HA 1 1 8 7573 1 1 50 CYS HB2 H 0.767 3.760 4.417 1.00 . A A . 50 CYS HB2 1 1 8 7574 1 1 50 CYS HB3 H 2.103 3.992 3.251 1.00 . A A . 50 CYS HB3 1 1 8 7575 1 1 50 CYS N N -0.230 5.477 2.677 1.00 . A A . 50 CYS N 1 1 8 7576 1 1 50 CYS O O 2.673 6.215 2.062 1.00 . A A . 50 CYS O 1 1 8 7577 1 1 50 CYS SG S 2.676 4.801 5.478 1.00 . A A . 50 CYS SG 1 1 8 7578 1 1 51 TYR C C 4.349 8.574 3.200 1.00 . A A . 51 TYR C 1 1 8 7579 1 1 51 TYR CA C 2.894 8.934 2.925 1.00 . A A . 51 TYR CA 1 1 8 7580 1 1 51 TYR CB C 2.469 10.353 3.388 1.00 . A A . 51 TYR CB 1 1 8 7581 1 1 51 TYR CD1 C 2.047 11.519 1.173 1.00 . A A . 51 TYR CD1 1 1 8 7582 1 1 51 TYR CD2 C 0.160 10.542 2.328 1.00 . A A . 51 TYR CD2 1 1 8 7583 1 1 51 TYR CE1 C 1.231 11.792 0.070 1.00 . A A . 51 TYR CE1 1 1 8 7584 1 1 51 TYR CE2 C -0.644 10.796 1.212 1.00 . A A . 51 TYR CE2 1 1 8 7585 1 1 51 TYR CG C 1.529 10.875 2.316 1.00 . A A . 51 TYR CG 1 1 8 7586 1 1 51 TYR CZ C -0.116 11.419 0.082 1.00 . A A . 51 TYR CZ 1 1 8 7587 1 1 51 TYR H H 1.271 8.201 4.008 1.00 . A A . 51 TYR H 1 1 8 7588 1 1 51 TYR HA H 2.899 8.926 1.845 1.00 . A A . 51 TYR HA 1 1 8 7589 1 1 51 TYR HB2 H 1.951 10.309 4.368 1.00 . A A . 51 TYR HB2 1 1 8 7590 1 1 51 TYR HB3 H 3.334 11.040 3.492 1.00 . A A . 51 TYR HB3 1 1 8 7591 1 1 51 TYR HD1 H 3.091 11.764 1.066 1.00 . A A . 51 TYR HD1 1 1 8 7592 1 1 51 TYR HD2 H -0.288 10.013 3.154 1.00 . A A . 51 TYR HD2 1 1 8 7593 1 1 51 TYR HE1 H 1.681 12.257 -0.791 1.00 . A A . 51 TYR HE1 1 1 8 7594 1 1 51 TYR HE2 H -1.667 10.470 1.219 1.00 . A A . 51 TYR HE2 1 1 8 7595 1 1 51 TYR HH H -1.824 11.264 -0.822 1.00 . A A . 51 TYR HH 1 1 8 7596 1 1 51 TYR N N 1.893 7.938 3.271 1.00 . A A . 51 TYR N 1 1 8 7597 1 1 51 TYR O O 5.273 9.083 2.572 1.00 . A A . 51 TYR O 1 1 8 7598 1 1 51 TYR OH O -0.948 11.645 -1.034 1.00 . A A . 51 TYR OH 1 1 8 7599 1 1 52 ASP C C 6.237 5.885 3.653 1.00 . A A . 52 ASP C 1 1 8 7600 1 1 52 ASP CA C 5.914 7.143 4.442 1.00 . A A . 52 ASP CA 1 1 8 7601 1 1 52 ASP CB C 6.101 6.823 5.950 1.00 . A A . 52 ASP CB 1 1 8 7602 1 1 52 ASP CG C 6.290 8.119 6.711 1.00 . A A . 52 ASP CG 1 1 8 7603 1 1 52 ASP H H 3.793 7.212 4.552 1.00 . A A . 52 ASP H 1 1 8 7604 1 1 52 ASP HA H 6.660 7.872 4.141 1.00 . A A . 52 ASP HA 1 1 8 7605 1 1 52 ASP HB2 H 5.241 6.262 6.350 1.00 . A A . 52 ASP HB2 1 1 8 7606 1 1 52 ASP HB3 H 7.003 6.197 6.111 1.00 . A A . 52 ASP HB3 1 1 8 7607 1 1 52 ASP HD2 H 7.474 8.879 8.015 1.00 . A A . 52 ASP HD2 1 1 8 7608 1 1 52 ASP N N 4.585 7.650 4.142 1.00 . A A . 52 ASP N 1 1 8 7609 1 1 52 ASP O O 5.400 5.027 3.397 1.00 . A A . 52 ASP O 1 1 8 7610 1 1 52 ASP OD1 O 5.739 9.174 6.468 1.00 . A A . 52 ASP OD1 1 1 8 7611 1 1 52 ASP OD2 O 7.189 7.997 7.729 1.00 . A A . 52 ASP OD2 1 1 8 7612 1 1 53 THR C C 8.396 3.510 3.689 1.00 . A A . 53 THR C 1 1 8 7613 1 1 53 THR CA C 8.048 4.548 2.649 1.00 . A A . 53 THR CA 1 1 8 7614 1 1 53 THR CB C 9.291 4.832 1.824 1.00 . A A . 53 THR CB 1 1 8 7615 1 1 53 THR CG2 C 8.849 5.573 0.553 1.00 . A A . 53 THR CG2 1 1 8 7616 1 1 53 THR H H 8.187 6.461 3.448 1.00 . A A . 53 THR H 1 1 8 7617 1 1 53 THR HA H 7.298 4.127 1.996 1.00 . A A . 53 THR HA 1 1 8 7618 1 1 53 THR HB H 9.808 3.885 1.529 1.00 . A A . 53 THR HB 1 1 8 7619 1 1 53 THR HG1 H 10.604 5.173 3.222 1.00 . A A . 53 THR HG1 1 1 8 7620 1 1 53 THR HG21 H 8.284 6.496 0.800 1.00 . A A . 53 THR HG21 1 1 8 7621 1 1 53 THR HG22 H 8.201 4.923 -0.072 1.00 . A A . 53 THR HG22 1 1 8 7622 1 1 53 THR HG23 H 9.732 5.865 -0.053 1.00 . A A . 53 THR HG23 1 1 8 7623 1 1 53 THR N N 7.514 5.744 3.275 1.00 . A A . 53 THR N 1 1 8 7624 1 1 53 THR O O 8.963 3.826 4.730 1.00 . A A . 53 THR O 1 1 8 7625 1 1 53 THR OG1 O 10.187 5.697 2.517 1.00 . A A . 53 THR OG1 1 1 8 7626 1 1 54 HIS C C 8.705 -0.092 3.555 1.00 . A A . 54 HIS C 1 1 8 7627 1 1 54 HIS CA C 8.490 1.172 4.346 1.00 . A A . 54 HIS CA 1 1 8 7628 1 1 54 HIS CB C 7.577 0.941 5.580 1.00 . A A . 54 HIS CB 1 1 8 7629 1 1 54 HIS CD2 C 9.416 -0.405 6.890 1.00 . A A . 54 HIS CD2 1 1 8 7630 1 1 54 HIS CE1 C 8.133 -0.976 8.559 1.00 . A A . 54 HIS CE1 1 1 8 7631 1 1 54 HIS CG C 8.163 0.056 6.646 1.00 . A A . 54 HIS CG 1 1 8 7632 1 1 54 HIS H H 7.721 1.971 2.549 1.00 . A A . 54 HIS H 1 1 8 7633 1 1 54 HIS HA H 9.477 1.441 4.691 1.00 . A A . 54 HIS HA 1 1 8 7634 1 1 54 HIS HB2 H 7.398 1.919 6.076 1.00 . A A . 54 HIS HB2 1 1 8 7635 1 1 54 HIS HB3 H 6.585 0.529 5.308 1.00 . A A . 54 HIS HB3 1 1 8 7636 1 1 54 HIS HD1 H 6.418 -0.104 7.827 1.00 . A A . 54 HIS HD1 1 1 8 7637 1 1 54 HIS HD2 H 10.325 -0.340 6.305 1.00 . A A . 54 HIS HD2 1 1 8 7638 1 1 54 HIS HE1 H 7.764 -1.374 9.476 1.00 . A A . 54 HIS HE1 1 1 8 7639 1 1 54 HIS HE2 H 10.145 -1.502 8.544 1.00 . A A . 54 HIS HE2 1 1 8 7640 1 1 54 HIS N N 8.045 2.232 3.457 1.00 . A A . 54 HIS N 1 1 8 7641 1 1 54 HIS ND1 N 7.387 -0.315 7.700 1.00 . A A . 54 HIS ND1 1 1 8 7642 1 1 54 HIS NE2 N 9.373 -1.045 8.098 1.00 . A A . 54 HIS NE2 1 1 8 7643 1 1 54 HIS O O 9.842 -0.513 3.334 1.00 . A A . 54 HIS O 1 1 8 7644 1 1 55 LYS C C 7.885 -1.923 0.949 1.00 . A A . 55 LYS C 1 1 8 7645 1 1 55 LYS CA C 7.622 -1.993 2.435 1.00 . A A . 55 LYS CA 1 1 8 7646 1 1 55 LYS CB C 6.287 -2.740 2.696 1.00 . A A . 55 LYS CB 1 1 8 7647 1 1 55 LYS CD C 4.220 -1.132 2.928 1.00 . A A . 55 LYS CD 1 1 8 7648 1 1 55 LYS CE C 3.299 -1.738 4.009 1.00 . A A . 55 LYS CE 1 1 8 7649 1 1 55 LYS CG C 5.004 -2.151 2.072 1.00 . A A . 55 LYS CG 1 1 8 7650 1 1 55 LYS H H 6.683 -0.449 3.306 1.00 . A A . 55 LYS H 1 1 8 7651 1 1 55 LYS HA H 8.425 -2.567 2.869 1.00 . A A . 55 LYS HA 1 1 8 7652 1 1 55 LYS HB2 H 6.383 -3.786 2.347 1.00 . A A . 55 LYS HB2 1 1 8 7653 1 1 55 LYS HB3 H 6.168 -2.800 3.791 1.00 . A A . 55 LYS HB3 1 1 8 7654 1 1 55 LYS HD2 H 4.894 -0.379 3.377 1.00 . A A . 55 LYS HD2 1 1 8 7655 1 1 55 LYS HD3 H 3.542 -0.586 2.229 1.00 . A A . 55 LYS HD3 1 1 8 7656 1 1 55 LYS HE2 H 2.665 -0.936 4.446 1.00 . A A . 55 LYS HE2 1 1 8 7657 1 1 55 LYS HE3 H 2.640 -2.511 3.561 1.00 . A A . 55 LYS HE3 1 1 8 7658 1 1 55 LYS HG2 H 5.257 -1.691 1.091 1.00 . A A . 55 LYS HG2 1 1 8 7659 1 1 55 LYS HG3 H 4.316 -3.001 1.851 1.00 . A A . 55 LYS HG3 1 1 8 7660 1 1 55 LYS HZ1 H 3.384 -2.802 5.793 1.00 . A A . 55 LYS HZ1 1 1 8 7661 1 1 55 LYS HZ2 H 4.610 -1.646 5.627 1.00 . A A . 55 LYS HZ2 1 1 8 7662 1 1 55 LYS HZ3 H 4.687 -3.098 4.752 1.00 . A A . 55 LYS HZ3 1 1 8 7663 1 1 55 LYS N N 7.609 -0.730 3.111 1.00 . A A . 55 LYS N 1 1 8 7664 1 1 55 LYS NZ N 4.050 -2.364 5.123 1.00 . A A . 55 LYS NZ 1 1 8 7665 1 1 55 LYS O O 7.817 -0.873 0.315 1.00 . A A . 55 LYS O 1 1 8 7666 1 1 56 PHE C C 7.086 -3.911 -1.629 1.00 . A A . 56 PHE C 1 1 8 7667 1 1 56 PHE CA C 8.361 -3.310 -1.048 1.00 . A A . 56 PHE CA 1 1 8 7668 1 1 56 PHE CB C 9.639 -4.160 -1.311 1.00 . A A . 56 PHE CB 1 1 8 7669 1 1 56 PHE CD1 C 10.103 -5.391 0.860 1.00 . A A . 56 PHE CD1 1 1 8 7670 1 1 56 PHE CD2 C 9.315 -6.668 -1.032 1.00 . A A . 56 PHE CD2 1 1 8 7671 1 1 56 PHE CE1 C 10.106 -6.548 1.643 1.00 . A A . 56 PHE CE1 1 1 8 7672 1 1 56 PHE CE2 C 9.320 -7.828 -0.250 1.00 . A A . 56 PHE CE2 1 1 8 7673 1 1 56 PHE CG C 9.682 -5.427 -0.482 1.00 . A A . 56 PHE CG 1 1 8 7674 1 1 56 PHE CZ C 9.700 -7.766 1.093 1.00 . A A . 56 PHE CZ 1 1 8 7675 1 1 56 PHE H H 8.243 -3.923 0.913 1.00 . A A . 56 PHE H 1 1 8 7676 1 1 56 PHE HA H 8.486 -2.361 -1.539 1.00 . A A . 56 PHE HA 1 1 8 7677 1 1 56 PHE HB2 H 9.773 -4.407 -2.382 1.00 . A A . 56 PHE HB2 1 1 8 7678 1 1 56 PHE HB3 H 10.519 -3.544 -1.026 1.00 . A A . 56 PHE HB3 1 1 8 7679 1 1 56 PHE HD1 H 10.403 -4.458 1.315 1.00 . A A . 56 PHE HD1 1 1 8 7680 1 1 56 PHE HD2 H 9.005 -6.748 -2.061 1.00 . A A . 56 PHE HD2 1 1 8 7681 1 1 56 PHE HE1 H 10.422 -6.490 2.672 1.00 . A A . 56 PHE HE1 1 1 8 7682 1 1 56 PHE HE2 H 9.018 -8.768 -0.688 1.00 . A A . 56 PHE HE2 1 1 8 7683 1 1 56 PHE HZ H 9.677 -8.659 1.700 1.00 . A A . 56 PHE HZ 1 1 8 7684 1 1 56 PHE N N 8.189 -3.092 0.367 1.00 . A A . 56 PHE N 1 1 8 7685 1 1 56 PHE O O 6.003 -3.800 -1.056 1.00 . A A . 56 PHE O 1 1 8 7686 1 1 57 CYS C C 5.573 -6.427 -2.664 1.00 . A A . 57 CYS C 1 1 8 7687 1 1 57 CYS CA C 6.005 -5.183 -3.411 1.00 . A A . 57 CYS CA 1 1 8 7688 1 1 57 CYS CB C 6.322 -5.557 -4.875 1.00 . A A . 57 CYS CB 1 1 8 7689 1 1 57 CYS H H 7.980 -4.639 -3.351 1.00 . A A . 57 CYS H 1 1 8 7690 1 1 57 CYS HA H 5.182 -4.483 -3.385 1.00 . A A . 57 CYS HA 1 1 8 7691 1 1 57 CYS HB2 H 7.051 -6.395 -4.874 1.00 . A A . 57 CYS HB2 1 1 8 7692 1 1 57 CYS HB3 H 5.398 -5.912 -5.378 1.00 . A A . 57 CYS HB3 1 1 8 7693 1 1 57 CYS N N 7.155 -4.565 -2.801 1.00 . A A . 57 CYS N 1 1 8 7694 1 1 57 CYS O O 6.376 -7.301 -2.354 1.00 . A A . 57 CYS O 1 1 8 7695 1 1 57 CYS SG S 7.079 -4.195 -5.818 1.00 . A A . 57 CYS SG 1 1 8 7696 1 1 58 TYR C C 2.633 -8.297 -2.120 1.00 . A A . 58 TYR C 1 1 8 7697 1 1 58 TYR CA C 3.774 -7.553 -1.467 1.00 . A A . 58 TYR CA 1 1 8 7698 1 1 58 TYR CB C 3.277 -6.881 -0.160 1.00 . A A . 58 TYR CB 1 1 8 7699 1 1 58 TYR CD1 C 4.686 -8.202 1.464 1.00 . A A . 58 TYR CD1 1 1 8 7700 1 1 58 TYR CD2 C 2.282 -8.246 1.702 1.00 . A A . 58 TYR CD2 1 1 8 7701 1 1 58 TYR CE1 C 4.807 -9.115 2.516 1.00 . A A . 58 TYR CE1 1 1 8 7702 1 1 58 TYR CE2 C 2.400 -9.177 2.735 1.00 . A A . 58 TYR CE2 1 1 8 7703 1 1 58 TYR CG C 3.419 -7.777 1.032 1.00 . A A . 58 TYR CG 1 1 8 7704 1 1 58 TYR CZ C 3.660 -9.620 3.142 1.00 . A A . 58 TYR CZ 1 1 8 7705 1 1 58 TYR H H 3.663 -5.765 -2.529 1.00 . A A . 58 TYR H 1 1 8 7706 1 1 58 TYR HA H 4.533 -8.295 -1.250 1.00 . A A . 58 TYR HA 1 1 8 7707 1 1 58 TYR HB2 H 3.891 -5.980 0.032 1.00 . A A . 58 TYR HB2 1 1 8 7708 1 1 58 TYR HB3 H 2.222 -6.564 -0.268 1.00 . A A . 58 TYR HB3 1 1 8 7709 1 1 58 TYR HD1 H 5.584 -7.850 0.979 1.00 . A A . 58 TYR HD1 1 1 8 7710 1 1 58 TYR HD2 H 1.293 -7.919 1.422 1.00 . A A . 58 TYR HD2 1 1 8 7711 1 1 58 TYR HE1 H 5.797 -9.422 2.807 1.00 . A A . 58 TYR HE1 1 1 8 7712 1 1 58 TYR HE2 H 1.504 -9.553 3.197 1.00 . A A . 58 TYR HE2 1 1 8 7713 1 1 58 TYR HH H 4.669 -10.773 4.339 1.00 . A A . 58 TYR HH 1 1 8 7714 1 1 58 TYR N N 4.286 -6.507 -2.315 1.00 . A A . 58 TYR N 1 1 8 7715 1 1 58 TYR O O 2.188 -8.005 -3.228 1.00 . A A . 58 TYR O 1 1 8 7716 1 1 58 TYR OH O 3.732 -10.582 4.166 1.00 . A A . 58 TYR OH 1 1 8 7717 1 1 59 LYS C C -0.310 -9.046 -1.733 1.00 . A A . 59 LYS C 1 1 8 7718 1 1 59 LYS CA C 0.879 -9.985 -1.587 1.00 . A A . 59 LYS CA 1 1 8 7719 1 1 59 LYS CB C 0.571 -10.938 -0.409 1.00 . A A . 59 LYS CB 1 1 8 7720 1 1 59 LYS CD C 1.309 -12.805 1.144 1.00 . A A . 59 LYS CD 1 1 8 7721 1 1 59 LYS CE C 2.523 -13.533 1.732 1.00 . A A . 59 LYS CE 1 1 8 7722 1 1 59 LYS CG C 1.637 -12.011 -0.132 1.00 . A A . 59 LYS CG 1 1 8 7723 1 1 59 LYS H H 2.555 -9.424 -0.498 1.00 . A A . 59 LYS H 1 1 8 7724 1 1 59 LYS HA H 0.958 -10.549 -2.504 1.00 . A A . 59 LYS HA 1 1 8 7725 1 1 59 LYS HB2 H 0.467 -10.319 0.510 1.00 . A A . 59 LYS HB2 1 1 8 7726 1 1 59 LYS HB3 H -0.407 -11.434 -0.599 1.00 . A A . 59 LYS HB3 1 1 8 7727 1 1 59 LYS HD2 H 0.952 -12.092 1.922 1.00 . A A . 59 LYS HD2 1 1 8 7728 1 1 59 LYS HD3 H 0.485 -13.523 0.939 1.00 . A A . 59 LYS HD3 1 1 8 7729 1 1 59 LYS HE2 H 3.324 -12.802 1.976 1.00 . A A . 59 LYS HE2 1 1 8 7730 1 1 59 LYS HE3 H 2.240 -14.094 2.647 1.00 . A A . 59 LYS HE3 1 1 8 7731 1 1 59 LYS HG2 H 1.728 -12.700 -1.000 1.00 . A A . 59 LYS HG2 1 1 8 7732 1 1 59 LYS HG3 H 2.635 -11.546 0.029 1.00 . A A . 59 LYS HG3 1 1 8 7733 1 1 59 LYS HZ1 H 3.337 -13.987 -0.112 1.00 . A A . 59 LYS HZ1 1 1 8 7734 1 1 59 LYS HZ2 H 2.360 -15.216 0.533 1.00 . A A . 59 LYS HZ2 1 1 8 7735 1 1 59 LYS HZ3 H 3.921 -14.951 1.155 1.00 . A A . 59 LYS HZ3 1 1 8 7736 1 1 59 LYS N N 2.139 -9.303 -1.389 1.00 . A A . 59 LYS N 1 1 8 7737 1 1 59 LYS NZ N 3.076 -14.493 0.759 1.00 . A A . 59 LYS NZ 1 1 8 7738 1 1 59 LYS O O -0.353 -7.958 -1.160 1.00 . A A . 59 LYS O 1 1 8 7739 1 1 60 ALA C C -3.684 -9.495 -1.889 1.00 . A A . 60 ALA C 1 1 8 7740 1 1 60 ALA CA C -2.570 -8.783 -2.621 1.00 . A A . 60 ALA CA 1 1 8 7741 1 1 60 ALA CB C -2.895 -8.696 -4.115 1.00 . A A . 60 ALA CB 1 1 8 7742 1 1 60 ALA H H -1.270 -10.336 -2.982 1.00 . A A . 60 ALA H 1 1 8 7743 1 1 60 ALA HA H -2.511 -7.786 -2.207 1.00 . A A . 60 ALA HA 1 1 8 7744 1 1 60 ALA HB1 H -2.078 -8.129 -4.616 1.00 . A A . 60 ALA HB1 1 1 8 7745 1 1 60 ALA HB2 H -3.856 -8.182 -4.311 1.00 . A A . 60 ALA HB2 1 1 8 7746 1 1 60 ALA HB3 H -2.914 -9.717 -4.554 1.00 . A A . 60 ALA HB3 1 1 8 7747 1 1 60 ALA N N -1.326 -9.481 -2.485 1.00 . A A . 60 ALA N 1 1 8 7748 1 1 60 ALA O O -3.589 -10.656 -1.495 1.00 . A A . 60 ALA O 1 1 8 7749 1 1 61 CYS C C -7.233 -8.733 -1.956 1.00 . A A . 61 CYS C 1 1 8 7750 1 1 61 CYS CA C -6.041 -9.389 -1.288 1.00 . A A . 61 CYS CA 1 1 8 7751 1 1 61 CYS CB C -6.197 -9.524 0.245 1.00 . A A . 61 CYS CB 1 1 8 7752 1 1 61 CYS H H -4.847 -7.846 -1.982 1.00 . A A . 61 CYS H 1 1 8 7753 1 1 61 CYS HA H -6.024 -10.391 -1.673 1.00 . A A . 61 CYS HA 1 1 8 7754 1 1 61 CYS HB2 H -7.089 -10.157 0.444 1.00 . A A . 61 CYS HB2 1 1 8 7755 1 1 61 CYS HB3 H -5.300 -10.082 0.589 1.00 . A A . 61 CYS HB3 1 1 8 7756 1 1 61 CYS N N -4.807 -8.788 -1.708 1.00 . A A . 61 CYS N 1 1 8 7757 1 1 61 CYS O O -7.765 -7.712 -1.532 1.00 . A A . 61 CYS O 1 1 8 7758 1 1 61 CYS SG S -6.327 -7.991 1.223 1.00 . A A . 61 CYS SG 1 1 8 7759 1 1 62 HIS C C -10.108 -9.738 -3.120 1.00 . A A . 62 HIS C 1 1 8 7760 1 1 62 HIS CA C -8.926 -9.015 -3.737 1.00 . A A . 62 HIS CA 1 1 8 7761 1 1 62 HIS CB C -8.857 -9.437 -5.211 1.00 . A A . 62 HIS CB 1 1 8 7762 1 1 62 HIS CD2 C -6.524 -9.108 -6.278 1.00 . A A . 62 HIS CD2 1 1 8 7763 1 1 62 HIS CE1 C -6.740 -6.998 -6.786 1.00 . A A . 62 HIS CE1 1 1 8 7764 1 1 62 HIS CG C -7.766 -8.711 -5.921 1.00 . A A . 62 HIS CG 1 1 8 7765 1 1 62 HIS H H -7.189 -10.153 -3.394 1.00 . A A . 62 HIS H 1 1 8 7766 1 1 62 HIS HA H -9.100 -7.950 -3.674 1.00 . A A . 62 HIS HA 1 1 8 7767 1 1 62 HIS HB2 H -8.682 -10.527 -5.296 1.00 . A A . 62 HIS HB2 1 1 8 7768 1 1 62 HIS HB3 H -9.809 -9.210 -5.726 1.00 . A A . 62 HIS HB3 1 1 8 7769 1 1 62 HIS HD1 H -8.673 -6.805 -6.079 1.00 . A A . 62 HIS HD1 1 1 8 7770 1 1 62 HIS HD2 H -6.053 -10.069 -6.129 1.00 . A A . 62 HIS HD2 1 1 8 7771 1 1 62 HIS HE1 H -6.548 -6.007 -7.134 1.00 . A A . 62 HIS HE1 1 1 8 7772 1 1 62 HIS HE2 H -4.949 -7.988 -7.139 1.00 . A A . 62 HIS HE2 1 1 8 7773 1 1 62 HIS N N -7.683 -9.346 -3.061 1.00 . A A . 62 HIS N 1 1 8 7774 1 1 62 HIS ND1 N -7.875 -7.389 -6.236 1.00 . A A . 62 HIS ND1 1 1 8 7775 1 1 62 HIS NE2 N -5.896 -8.021 -6.817 1.00 . A A . 62 HIS NE2 1 1 8 7776 1 1 62 HIS O O -11.264 -9.374 -3.315 1.00 . A A . 62 HIS O 1 1 8 7777 1 1 63 ASN C C -9.758 -12.614 -0.926 1.00 . A A . 63 ASN C 1 1 8 7778 1 1 63 ASN CA C -10.698 -11.722 -1.730 1.00 . A A . 63 ASN CA 1 1 8 7779 1 1 63 ASN CB C -11.642 -12.428 -2.739 1.00 . A A . 63 ASN CB 1 1 8 7780 1 1 63 ASN CG C -10.884 -12.965 -3.947 1.00 . A A . 63 ASN CG 1 1 8 7781 1 1 63 ASN H H -8.882 -11.063 -2.168 1.00 . A A . 63 ASN H 1 1 8 7782 1 1 63 ASN HA H -11.285 -11.184 -1.020 1.00 . A A . 63 ASN HA 1 1 8 7783 1 1 63 ASN HB2 H -12.224 -13.227 -2.251 1.00 . A A . 63 ASN HB2 1 1 8 7784 1 1 63 ASN HB3 H -12.358 -11.639 -3.055 1.00 . A A . 63 ASN HB3 1 1 8 7785 1 1 63 ASN HD21 H -12.193 -12.176 -5.332 1.00 . A A . 63 ASN HD21 1 1 8 7786 1 1 63 ASN HD22 H -10.779 -12.927 -5.966 1.00 . A A . 63 ASN HD22 1 1 8 7787 1 1 63 ASN N N -9.814 -10.792 -2.347 1.00 . A A . 63 ASN N 1 1 8 7788 1 1 63 ASN ND2 N -11.330 -12.652 -5.179 1.00 . A A . 63 ASN ND2 1 1 8 7789 1 1 63 ASN O O -8.712 -12.148 -0.475 1.00 . A A . 63 ASN O 1 1 8 7790 1 1 63 ASN OD1 O -9.881 -13.672 -3.808 1.00 . A A . 63 ASN OD1 1 1 8 7791 1 1 64 SER C C -8.086 -15.342 -0.119 1.00 . A A . 64 SER C 1 1 8 7792 1 1 64 SER CA C -9.420 -14.732 0.286 1.00 . A A . 64 SER CA 1 1 8 7793 1 1 64 SER CB C -10.367 -15.861 0.773 1.00 . A A . 64 SER CB 1 1 8 7794 1 1 64 SER H H -10.915 -14.258 -1.107 1.00 . A A . 64 SER H 1 1 8 7795 1 1 64 SER HA H -9.204 -14.088 1.127 1.00 . A A . 64 SER HA 1 1 8 7796 1 1 64 SER HB2 H -11.416 -15.514 0.645 1.00 . A A . 64 SER HB2 1 1 8 7797 1 1 64 SER HB3 H -10.268 -16.788 0.164 1.00 . A A . 64 SER HB3 1 1 8 7798 1 1 64 SER HG H -10.581 -15.385 2.632 1.00 . A A . 64 SER HG 1 1 8 7799 1 1 64 SER N N -10.087 -13.896 -0.705 1.00 . A A . 64 SER N 1 1 8 7800 1 1 64 SER O O -7.876 -16.549 -0.041 1.00 . A A . 64 SER O 1 1 8 7801 1 1 64 SER OG O -10.161 -16.133 2.158 1.00 . A A . 64 SER OG 1 1 8 7802 1 1 65 GLU C C -5.065 -15.463 0.471 1.00 . A A . 65 GLU C 1 1 8 7803 1 1 65 GLU CA C -5.733 -14.881 -0.776 1.00 . A A . 65 GLU CA 1 1 8 7804 1 1 65 GLU CB C -4.908 -13.732 -1.422 1.00 . A A . 65 GLU CB 1 1 8 7805 1 1 65 GLU CD C -6.559 -13.164 -3.335 1.00 . A A . 65 GLU CD 1 1 8 7806 1 1 65 GLU CG C -5.135 -13.547 -2.950 1.00 . A A . 65 GLU CG 1 1 8 7807 1 1 65 GLU H H -7.354 -13.540 -0.632 1.00 . A A . 65 GLU H 1 1 8 7808 1 1 65 GLU HA H -5.726 -15.694 -1.483 1.00 . A A . 65 GLU HA 1 1 8 7809 1 1 65 GLU HB2 H -5.096 -12.766 -0.907 1.00 . A A . 65 GLU HB2 1 1 8 7810 1 1 65 GLU HB3 H -3.822 -13.968 -1.321 1.00 . A A . 65 GLU HB3 1 1 8 7811 1 1 65 GLU HE2 H -8.213 -13.963 -3.899 1.00 . A A . 65 GLU HE2 1 1 8 7812 1 1 65 GLU HG2 H -4.466 -12.738 -3.314 1.00 . A A . 65 GLU HG2 1 1 8 7813 1 1 65 GLU HG3 H -4.859 -14.482 -3.479 1.00 . A A . 65 GLU HG3 1 1 8 7814 1 1 65 GLU N N -7.123 -14.510 -0.560 1.00 . A A . 65 GLU N 1 1 8 7815 1 1 65 GLU O O -4.934 -16.676 0.634 1.00 . A A . 65 GLU O 1 1 8 7816 1 1 65 GLU OE1 O -7.066 -12.059 -3.231 1.00 . A A . 65 GLU OE1 1 1 8 7817 1 1 65 GLU OE2 O -7.289 -14.228 -3.791 1.00 . A A . 65 GLU OE2 1 1 8 7818 1 1 66 ILE C C -4.891 -15.387 3.729 1.00 . A A . 66 ILE C 1 1 8 7819 1 1 66 ILE CA C -3.954 -14.960 2.615 1.00 . A A . 66 ILE CA 1 1 8 7820 1 1 66 ILE CB C -2.961 -13.882 3.046 1.00 . A A . 66 ILE CB 1 1 8 7821 1 1 66 ILE CD1 C -0.786 -13.629 4.394 1.00 . A A . 66 ILE CD1 1 1 8 7822 1 1 66 ILE CG1 C -2.121 -14.365 4.246 1.00 . A A . 66 ILE CG1 1 1 8 7823 1 1 66 ILE CG2 C -3.611 -12.510 3.327 1.00 . A A . 66 ILE CG2 1 1 8 7824 1 1 66 ILE H H -4.716 -13.614 1.239 1.00 . A A . 66 ILE H 1 1 8 7825 1 1 66 ILE HA H -3.357 -15.828 2.406 1.00 . A A . 66 ILE HA 1 1 8 7826 1 1 66 ILE HB H -2.270 -13.749 2.182 1.00 . A A . 66 ILE HB 1 1 8 7827 1 1 66 ILE HD11 H -0.255 -13.975 5.308 1.00 . A A . 66 ILE HD11 1 1 8 7828 1 1 66 ILE HD12 H -0.935 -12.534 4.470 1.00 . A A . 66 ILE HD12 1 1 8 7829 1 1 66 ILE HD13 H -0.135 -13.838 3.520 1.00 . A A . 66 ILE HD13 1 1 8 7830 1 1 66 ILE HG12 H -2.724 -14.241 5.173 1.00 . A A . 66 ILE HG12 1 1 8 7831 1 1 66 ILE HG13 H -1.914 -15.451 4.115 1.00 . A A . 66 ILE HG13 1 1 8 7832 1 1 66 ILE HG21 H -2.815 -11.751 3.491 1.00 . A A . 66 ILE HG21 1 1 8 7833 1 1 66 ILE HG22 H -4.221 -12.552 4.251 1.00 . A A . 66 ILE HG22 1 1 8 7834 1 1 66 ILE HG23 H -4.231 -12.162 2.478 1.00 . A A . 66 ILE HG23 1 1 8 7835 1 1 66 ILE N N -4.633 -14.587 1.393 1.00 . A A . 66 ILE N 1 1 8 7836 1 1 66 ILE O O -4.681 -16.404 4.383 1.00 . A A . 66 ILE O 1 1 8 7837 1 1 67 GLU C C -8.209 -14.005 3.945 1.00 . A A . 67 GLU C 1 1 8 7838 1 1 67 GLU CA C -7.082 -14.697 4.756 1.00 . A A . 67 GLU CA 1 1 8 7839 1 1 67 GLU CB C -6.794 -13.937 6.081 1.00 . A A . 67 GLU CB 1 1 8 7840 1 1 67 GLU CD C -5.744 -11.757 6.946 1.00 . A A . 67 GLU CD 1 1 8 7841 1 1 67 GLU CG C -6.654 -12.401 5.905 1.00 . A A . 67 GLU CG 1 1 8 7842 1 1 67 GLU H H -6.217 -13.892 3.188 1.00 . A A . 67 GLU H 1 1 8 7843 1 1 67 GLU HA H -7.336 -15.736 4.910 1.00 . A A . 67 GLU HA 1 1 8 7844 1 1 67 GLU HB2 H -7.613 -14.146 6.802 1.00 . A A . 67 GLU HB2 1 1 8 7845 1 1 67 GLU HB3 H -5.853 -14.359 6.498 1.00 . A A . 67 GLU HB3 1 1 8 7846 1 1 67 GLU HE2 H -5.779 -10.519 8.408 1.00 . A A . 67 GLU HE2 1 1 8 7847 1 1 67 GLU HG2 H -6.207 -12.182 4.913 1.00 . A A . 67 GLU HG2 1 1 8 7848 1 1 67 GLU HG3 H -7.658 -11.927 5.925 1.00 . A A . 67 GLU HG3 1 1 8 7849 1 1 67 GLU N N -5.977 -14.605 3.858 1.00 . A A . 67 GLU N 1 1 8 7850 1 1 67 GLU O O -7.857 -13.302 2.948 1.00 . A A . 67 GLU O 1 1 8 7851 1 1 67 GLU OXT O -9.409 -14.177 4.286 1.00 . A A . 67 GLU OXT 1 1 8 7852 1 1 67 GLU OE1 O -4.527 -11.849 7.009 1.00 . A A . 67 GLU OE1 1 1 8 7853 1 1 67 GLU OE2 O -6.418 -10.963 7.849 1.00 . A A . 67 GLU OE2 1 1 8 7854 2 2 1 CL CL CL 1.251 -16.791 -1.117 1.00 . B A . 68 CL CL 1 1 8 7855 3 2 1 CL CL CL 6.909 -0.167 11.747 1.00 . C A . 69 CL CL 1 1 8 7856 4 2 1 CL CL CL -3.372 -3.876 4.852 1.00 . D A . 70 CL CL 1 1 8 7857 5 2 1 CL CL CL -2.247 -3.837 12.558 1.00 . E A . 71 CL CL 1 1 8 7858 6 2 1 CL CL CL 5.939 11.680 9.667 1.00 . F A . 72 CL CL 1 1 8 7859 7 2 1 CL CL CL 10.877 -6.210 -4.745 1.00 . G A . 73 CL CL 1 1 8 7860 8 2 1 CL CL CL -4.209 -11.755 -6.461 1.00 . H A . 74 CL CL 1 1 8 7861 9 2 1 CL CL CL 10.397 7.951 -2.438 1.00 . I A . 75 CL CL 1 1 8 7862 10 2 1 CL CL CL 8.228 -3.479 5.795 1.00 . J A . 76 CL CL 1 1 8 7863 11 2 1 CL CL CL -0.467 9.237 11.523 1.00 . K A . 77 CL CL 1 1 8 7864 12 2 1 CL CL CL 2.988 -11.875 12.658 1.00 . L A . 78 CL CL 1 1 9 7865 1 1 1 GLY C C -9.370 -15.665 9.504 1.00 . A A . 1 GLY C 1 1 9 7866 1 1 1 GLY CA C -9.411 -17.110 9.907 1.00 . A A . 1 GLY CA 1 1 9 7867 1 1 1 GLY H1 H -7.374 -17.437 9.664 1.00 . A A . 1 GLY H1 1 1 9 7868 1 1 1 GLY H2 H -8.155 -18.603 10.620 1.00 . A A . 1 GLY H2 1 1 9 7869 1 1 1 GLY H3 H -7.831 -17.064 11.261 1.00 . A A . 1 GLY H3 1 1 9 7870 1 1 1 GLY HA2 H -9.642 -17.703 9.035 1.00 . A A . 1 GLY HA2 1 1 9 7871 1 1 1 GLY HA3 H -10.110 -17.229 10.720 1.00 . A A . 1 GLY HA3 1 1 9 7872 1 1 1 GLY N N -8.094 -17.587 10.400 1.00 . A A . 1 GLY N 1 1 9 7873 1 1 1 GLY O O -9.450 -15.312 8.329 1.00 . A A . 1 GLY O 1 1 9 7874 1 1 2 ASP C C -8.408 -12.847 11.558 1.00 . A A . 2 ASP C 1 1 9 7875 1 1 2 ASP CA C -9.092 -13.344 10.295 1.00 . A A . 2 ASP CA 1 1 9 7876 1 1 2 ASP CB C -10.491 -12.676 10.078 1.00 . A A . 2 ASP CB 1 1 9 7877 1 1 2 ASP CG C -10.456 -11.220 9.617 1.00 . A A . 2 ASP CG 1 1 9 7878 1 1 2 ASP H H -9.296 -15.096 11.434 1.00 . A A . 2 ASP H 1 1 9 7879 1 1 2 ASP HA H -8.432 -13.148 9.460 1.00 . A A . 2 ASP HA 1 1 9 7880 1 1 2 ASP HB2 H -11.032 -13.235 9.284 1.00 . A A . 2 ASP HB2 1 1 9 7881 1 1 2 ASP HB3 H -11.088 -12.732 11.009 1.00 . A A . 2 ASP HB3 1 1 9 7882 1 1 2 ASP HD2 H -9.347 -9.674 9.603 1.00 . A A . 2 ASP HD2 1 1 9 7883 1 1 2 ASP N N -9.209 -14.775 10.490 1.00 . A A . 2 ASP N 1 1 9 7884 1 1 2 ASP O O -9.005 -12.299 12.474 1.00 . A A . 2 ASP O 1 1 9 7885 1 1 2 ASP OD1 O -11.305 -10.663 8.943 1.00 . A A . 2 ASP OD1 1 1 9 7886 1 1 2 ASP OD2 O -9.353 -10.543 10.043 1.00 . A A . 2 ASP OD2 1 1 9 7887 1 1 3 ASP C C -4.810 -12.854 12.406 1.00 . A A . 3 ASP C 1 1 9 7888 1 1 3 ASP CA C -6.280 -12.797 12.784 1.00 . A A . 3 ASP CA 1 1 9 7889 1 1 3 ASP CB C -6.598 -13.733 13.978 1.00 . A A . 3 ASP CB 1 1 9 7890 1 1 3 ASP CG C -6.834 -15.152 13.501 1.00 . A A . 3 ASP CG 1 1 9 7891 1 1 3 ASP H H -6.662 -13.550 10.862 1.00 . A A . 3 ASP H 1 1 9 7892 1 1 3 ASP HA H -6.461 -11.768 13.060 1.00 . A A . 3 ASP HA 1 1 9 7893 1 1 3 ASP HB2 H -5.778 -13.715 14.716 1.00 . A A . 3 ASP HB2 1 1 9 7894 1 1 3 ASP HB3 H -7.506 -13.340 14.474 1.00 . A A . 3 ASP HB3 1 1 9 7895 1 1 3 ASP HD2 H -8.704 -14.868 13.995 1.00 . A A . 3 ASP HD2 1 1 9 7896 1 1 3 ASP N N -7.098 -13.108 11.634 1.00 . A A . 3 ASP N 1 1 9 7897 1 1 3 ASP O O -3.990 -13.516 13.042 1.00 . A A . 3 ASP O 1 1 9 7898 1 1 3 ASP OD1 O -5.982 -15.914 13.063 1.00 . A A . 3 ASP OD1 1 1 9 7899 1 1 3 ASP OD2 O -8.151 -15.536 13.554 1.00 . A A . 3 ASP OD2 1 1 9 7900 1 1 4 VAL C C -2.723 -10.642 10.700 1.00 . A A . 4 VAL C 1 1 9 7901 1 1 4 VAL CA C -3.117 -12.102 10.788 1.00 . A A . 4 VAL CA 1 1 9 7902 1 1 4 VAL CB C -3.011 -12.752 9.410 1.00 . A A . 4 VAL CB 1 1 9 7903 1 1 4 VAL CG1 C -1.538 -13.047 9.072 1.00 . A A . 4 VAL CG1 1 1 9 7904 1 1 4 VAL CG2 C -3.803 -14.073 9.374 1.00 . A A . 4 VAL CG2 1 1 9 7905 1 1 4 VAL H H -5.133 -11.621 10.815 1.00 . A A . 4 VAL H 1 1 9 7906 1 1 4 VAL HA H -2.431 -12.592 11.462 1.00 . A A . 4 VAL HA 1 1 9 7907 1 1 4 VAL HB H -3.448 -12.067 8.648 1.00 . A A . 4 VAL HB 1 1 9 7908 1 1 4 VAL HG11 H -1.099 -13.748 9.812 1.00 . A A . 4 VAL HG11 1 1 9 7909 1 1 4 VAL HG12 H -0.924 -12.127 9.045 1.00 . A A . 4 VAL HG12 1 1 9 7910 1 1 4 VAL HG13 H -1.473 -13.522 8.069 1.00 . A A . 4 VAL HG13 1 1 9 7911 1 1 4 VAL HG21 H -4.895 -13.892 9.443 1.00 . A A . 4 VAL HG21 1 1 9 7912 1 1 4 VAL HG22 H -3.486 -14.734 10.209 1.00 . A A . 4 VAL HG22 1 1 9 7913 1 1 4 VAL HG23 H -3.615 -14.602 8.415 1.00 . A A . 4 VAL HG23 1 1 9 7914 1 1 4 VAL N N -4.457 -12.152 11.324 1.00 . A A . 4 VAL N 1 1 9 7915 1 1 4 VAL O O -3.530 -9.782 10.353 1.00 . A A . 4 VAL O 1 1 9 7916 1 1 5 LYS C C -0.200 -8.535 9.869 1.00 . A A . 5 LYS C 1 1 9 7917 1 1 5 LYS CA C -0.957 -8.955 11.122 1.00 . A A . 5 LYS CA 1 1 9 7918 1 1 5 LYS CB C -0.079 -8.833 12.386 1.00 . A A . 5 LYS CB 1 1 9 7919 1 1 5 LYS CD C 1.767 -9.979 13.710 1.00 . A A . 5 LYS CD 1 1 9 7920 1 1 5 LYS CE C 3.050 -10.815 13.655 1.00 . A A . 5 LYS CE 1 1 9 7921 1 1 5 LYS CG C 1.304 -9.507 12.326 1.00 . A A . 5 LYS CG 1 1 9 7922 1 1 5 LYS H H -0.863 -11.020 11.370 1.00 . A A . 5 LYS H 1 1 9 7923 1 1 5 LYS HA H -1.794 -8.282 11.212 1.00 . A A . 5 LYS HA 1 1 9 7924 1 1 5 LYS HB2 H 0.049 -7.765 12.650 1.00 . A A . 5 LYS HB2 1 1 9 7925 1 1 5 LYS HB3 H -0.660 -9.299 13.210 1.00 . A A . 5 LYS HB3 1 1 9 7926 1 1 5 LYS HD2 H 1.913 -9.104 14.382 1.00 . A A . 5 LYS HD2 1 1 9 7927 1 1 5 LYS HD3 H 0.954 -10.606 14.145 1.00 . A A . 5 LYS HD3 1 1 9 7928 1 1 5 LYS HE2 H 2.933 -11.640 12.921 1.00 . A A . 5 LYS HE2 1 1 9 7929 1 1 5 LYS HE3 H 3.923 -10.189 13.381 1.00 . A A . 5 LYS HE3 1 1 9 7930 1 1 5 LYS HG2 H 1.295 -10.387 11.649 1.00 . A A . 5 LYS HG2 1 1 9 7931 1 1 5 LYS HG3 H 2.049 -8.793 11.908 1.00 . A A . 5 LYS HG3 1 1 9 7932 1 1 5 LYS HZ1 H 2.484 -11.963 15.275 1.00 . A A . 5 LYS HZ1 1 1 9 7933 1 1 5 LYS HZ2 H 3.535 -10.688 15.668 1.00 . A A . 5 LYS HZ2 1 1 9 7934 1 1 5 LYS HZ3 H 4.135 -12.076 14.893 1.00 . A A . 5 LYS HZ3 1 1 9 7935 1 1 5 LYS N N -1.470 -10.312 11.045 1.00 . A A . 5 LYS N 1 1 9 7936 1 1 5 LYS NZ N 3.325 -11.428 14.970 1.00 . A A . 5 LYS NZ 1 1 9 7937 1 1 5 LYS O O 0.573 -7.579 9.840 1.00 . A A . 5 LYS O 1 1 9 7938 1 1 6 SER C C -0.127 -7.692 6.841 1.00 . A A . 6 SER C 1 1 9 7939 1 1 6 SER CA C 0.155 -9.051 7.460 1.00 . A A . 6 SER CA 1 1 9 7940 1 1 6 SER CB C -0.311 -10.083 6.408 1.00 . A A . 6 SER CB 1 1 9 7941 1 1 6 SER H H -1.031 -10.055 8.898 1.00 . A A . 6 SER H 1 1 9 7942 1 1 6 SER HA H 1.227 -9.142 7.555 1.00 . A A . 6 SER HA 1 1 9 7943 1 1 6 SER HB2 H -1.424 -10.064 6.331 1.00 . A A . 6 SER HB2 1 1 9 7944 1 1 6 SER HB3 H 0.114 -9.843 5.405 1.00 . A A . 6 SER HB3 1 1 9 7945 1 1 6 SER HG H -0.074 -11.961 5.984 1.00 . A A . 6 SER HG 1 1 9 7946 1 1 6 SER N N -0.420 -9.279 8.780 1.00 . A A . 6 SER N 1 1 9 7947 1 1 6 SER O O -1.175 -7.074 7.027 1.00 . A A . 6 SER O 1 1 9 7948 1 1 6 SER OG O 0.116 -11.397 6.760 1.00 . A A . 6 SER OG 1 1 9 7949 1 1 7 ALA C C 0.190 -6.785 3.712 1.00 . A A . 7 ALA C 1 1 9 7950 1 1 7 ALA CA C 0.550 -6.166 5.054 1.00 . A A . 7 ALA CA 1 1 9 7951 1 1 7 ALA CB C 1.792 -5.268 4.910 1.00 . A A . 7 ALA CB 1 1 9 7952 1 1 7 ALA H H 1.707 -7.628 5.949 1.00 . A A . 7 ALA H 1 1 9 7953 1 1 7 ALA HA H -0.299 -5.574 5.359 1.00 . A A . 7 ALA HA 1 1 9 7954 1 1 7 ALA HB1 H 2.659 -5.870 4.560 1.00 . A A . 7 ALA HB1 1 1 9 7955 1 1 7 ALA HB2 H 2.077 -4.833 5.894 1.00 . A A . 7 ALA HB2 1 1 9 7956 1 1 7 ALA HB3 H 1.624 -4.446 4.184 1.00 . A A . 7 ALA HB3 1 1 9 7957 1 1 7 ALA N N 0.809 -7.206 6.013 1.00 . A A . 7 ALA N 1 1 9 7958 1 1 7 ALA O O 0.645 -7.865 3.343 1.00 . A A . 7 ALA O 1 1 9 7959 1 1 8 CYS C C -1.069 -5.225 0.752 1.00 . A A . 8 CYS C 1 1 9 7960 1 1 8 CYS CA C -1.063 -6.472 1.620 1.00 . A A . 8 CYS CA 1 1 9 7961 1 1 8 CYS CB C -2.422 -7.206 1.612 1.00 . A A . 8 CYS CB 1 1 9 7962 1 1 8 CYS H H -1.031 -5.221 3.267 1.00 . A A . 8 CYS H 1 1 9 7963 1 1 8 CYS HA H -0.326 -7.138 1.184 1.00 . A A . 8 CYS HA 1 1 9 7964 1 1 8 CYS HB2 H -2.621 -7.564 0.578 1.00 . A A . 8 CYS HB2 1 1 9 7965 1 1 8 CYS HB3 H -2.322 -8.111 2.247 1.00 . A A . 8 CYS HB3 1 1 9 7966 1 1 8 CYS N N -0.656 -6.085 2.950 1.00 . A A . 8 CYS N 1 1 9 7967 1 1 8 CYS O O -1.073 -4.102 1.256 1.00 . A A . 8 CYS O 1 1 9 7968 1 1 8 CYS SG S -3.820 -6.206 2.213 1.00 . A A . 8 CYS SG 1 1 9 7969 1 1 9 CYS C C -1.221 -4.728 -2.891 1.00 . A A . 9 CYS C 1 1 9 7970 1 1 9 CYS CA C -0.886 -4.265 -1.483 1.00 . A A . 9 CYS CA 1 1 9 7971 1 1 9 CYS CB C 0.543 -3.663 -1.466 1.00 . A A . 9 CYS CB 1 1 9 7972 1 1 9 CYS H H -0.879 -6.317 -0.983 1.00 . A A . 9 CYS H 1 1 9 7973 1 1 9 CYS HA H -1.618 -3.529 -1.175 1.00 . A A . 9 CYS HA 1 1 9 7974 1 1 9 CYS HB2 H 0.805 -3.483 -0.404 1.00 . A A . 9 CYS HB2 1 1 9 7975 1 1 9 CYS HB3 H 1.241 -4.444 -1.840 1.00 . A A . 9 CYS HB3 1 1 9 7976 1 1 9 CYS N N -0.957 -5.396 -0.579 1.00 . A A . 9 CYS N 1 1 9 7977 1 1 9 CYS O O -0.735 -5.754 -3.347 1.00 . A A . 9 CYS O 1 1 9 7978 1 1 9 CYS SG S 0.761 -2.113 -2.394 1.00 . A A . 9 CYS SG 1 1 9 7979 1 1 10 ASP C C -1.873 -3.560 -6.079 1.00 . A A . 10 ASP C 1 1 9 7980 1 1 10 ASP CA C -2.505 -4.390 -4.967 1.00 . A A . 10 ASP CA 1 1 9 7981 1 1 10 ASP CB C -4.031 -4.218 -5.039 1.00 . A A . 10 ASP CB 1 1 9 7982 1 1 10 ASP CG C -4.652 -5.309 -4.188 1.00 . A A . 10 ASP CG 1 1 9 7983 1 1 10 ASP H H -2.574 -3.228 -3.244 1.00 . A A . 10 ASP H 1 1 9 7984 1 1 10 ASP HA H -2.254 -5.422 -5.176 1.00 . A A . 10 ASP HA 1 1 9 7985 1 1 10 ASP HB2 H -4.289 -3.207 -4.697 1.00 . A A . 10 ASP HB2 1 1 9 7986 1 1 10 ASP HB3 H -4.399 -4.313 -6.069 1.00 . A A . 10 ASP HB3 1 1 9 7987 1 1 10 ASP HD2 H -5.738 -3.956 -3.276 1.00 . A A . 10 ASP HD2 1 1 9 7988 1 1 10 ASP N N -2.084 -4.001 -3.630 1.00 . A A . 10 ASP N 1 1 9 7989 1 1 10 ASP O O -1.999 -3.871 -7.258 1.00 . A A . 10 ASP O 1 1 9 7990 1 1 10 ASP OD1 O -4.507 -6.499 -4.374 1.00 . A A . 10 ASP OD1 1 1 9 7991 1 1 10 ASP OD2 O -5.346 -4.832 -3.104 1.00 . A A . 10 ASP OD2 1 1 9 7992 1 1 11 THR C C 0.406 -0.731 -6.120 1.00 . A A . 11 THR C 1 1 9 7993 1 1 11 THR CA C -0.734 -1.494 -6.731 1.00 . A A . 11 THR CA 1 1 9 7994 1 1 11 THR CB C -1.777 -0.455 -7.121 1.00 . A A . 11 THR CB 1 1 9 7995 1 1 11 THR CG2 C -1.300 0.389 -8.300 1.00 . A A . 11 THR CG2 1 1 9 7996 1 1 11 THR H H -1.071 -2.240 -4.781 1.00 . A A . 11 THR H 1 1 9 7997 1 1 11 THR HA H -0.355 -2.009 -7.605 1.00 . A A . 11 THR HA 1 1 9 7998 1 1 11 THR HB H -1.986 0.219 -6.260 1.00 . A A . 11 THR HB 1 1 9 7999 1 1 11 THR HG1 H -2.837 -1.702 -8.175 1.00 . A A . 11 THR HG1 1 1 9 8000 1 1 11 THR HG21 H -0.432 1.013 -8.006 1.00 . A A . 11 THR HG21 1 1 9 8001 1 1 11 THR HG22 H -2.104 1.079 -8.632 1.00 . A A . 11 THR HG22 1 1 9 8002 1 1 11 THR HG23 H -0.998 -0.247 -9.156 1.00 . A A . 11 THR HG23 1 1 9 8003 1 1 11 THR N N -1.181 -2.465 -5.739 1.00 . A A . 11 THR N 1 1 9 8004 1 1 11 THR O O 0.261 -0.078 -5.079 1.00 . A A . 11 THR O 1 1 9 8005 1 1 11 THR OG1 O -3.015 -1.045 -7.481 1.00 . A A . 11 THR OG1 1 1 9 8006 1 1 12 CYS C C 3.957 -0.313 -6.939 1.00 . A A . 12 CYS C 1 1 9 8007 1 1 12 CYS CA C 2.831 -0.732 -6.017 1.00 . A A . 12 CYS CA 1 1 9 8008 1 1 12 CYS CB C 3.137 -2.123 -5.401 1.00 . A A . 12 CYS CB 1 1 9 8009 1 1 12 CYS H H 1.659 -1.237 -7.638 1.00 . A A . 12 CYS H 1 1 9 8010 1 1 12 CYS HA H 2.769 0.016 -5.246 1.00 . A A . 12 CYS HA 1 1 9 8011 1 1 12 CYS HB2 H 2.187 -2.494 -4.943 1.00 . A A . 12 CYS HB2 1 1 9 8012 1 1 12 CYS HB3 H 3.426 -2.822 -6.228 1.00 . A A . 12 CYS HB3 1 1 9 8013 1 1 12 CYS N N 1.588 -0.819 -6.738 1.00 . A A . 12 CYS N 1 1 9 8014 1 1 12 CYS O O 3.874 -0.442 -8.163 1.00 . A A . 12 CYS O 1 1 9 8015 1 1 12 CYS SG S 4.402 -2.098 -4.093 1.00 . A A . 12 CYS SG 1 1 9 8016 1 1 13 LEU C C 7.339 0.846 -6.196 1.00 . A A . 13 LEU C 1 1 9 8017 1 1 13 LEU CA C 6.080 0.924 -7.039 1.00 . A A . 13 LEU CA 1 1 9 8018 1 1 13 LEU CB C 5.656 2.408 -7.177 1.00 . A A . 13 LEU CB 1 1 9 8019 1 1 13 LEU CD1 C 7.145 3.152 -9.067 1.00 . A A . 13 LEU CD1 1 1 9 8020 1 1 13 LEU CD2 C 6.290 4.851 -7.411 1.00 . A A . 13 LEU CD2 1 1 9 8021 1 1 13 LEU CG C 6.752 3.402 -7.610 1.00 . A A . 13 LEU CG 1 1 9 8022 1 1 13 LEU H H 5.021 0.379 -5.360 1.00 . A A . 13 LEU H 1 1 9 8023 1 1 13 LEU HA H 6.289 0.470 -7.996 1.00 . A A . 13 LEU HA 1 1 9 8024 1 1 13 LEU HB2 H 4.846 2.448 -7.932 1.00 . A A . 13 LEU HB2 1 1 9 8025 1 1 13 LEU HB3 H 5.215 2.726 -6.203 1.00 . A A . 13 LEU HB3 1 1 9 8026 1 1 13 LEU HD11 H 7.900 3.892 -9.405 1.00 . A A . 13 LEU HD11 1 1 9 8027 1 1 13 LEU HD12 H 6.248 3.227 -9.717 1.00 . A A . 13 LEU HD12 1 1 9 8028 1 1 13 LEU HD13 H 7.574 2.136 -9.180 1.00 . A A . 13 LEU HD13 1 1 9 8029 1 1 13 LEU HD21 H 5.375 5.058 -8.007 1.00 . A A . 13 LEU HD21 1 1 9 8030 1 1 13 LEU HD22 H 7.089 5.552 -7.738 1.00 . A A . 13 LEU HD22 1 1 9 8031 1 1 13 LEU HD23 H 6.071 5.046 -6.340 1.00 . A A . 13 LEU HD23 1 1 9 8032 1 1 13 LEU HG H 7.661 3.270 -6.977 1.00 . A A . 13 LEU HG 1 1 9 8033 1 1 13 LEU N N 5.029 0.224 -6.357 1.00 . A A . 13 LEU N 1 1 9 8034 1 1 13 LEU O O 7.463 1.426 -5.114 1.00 . A A . 13 LEU O 1 1 9 8035 1 1 14 CYS C C 10.549 1.064 -6.975 1.00 . A A . 14 CYS C 1 1 9 8036 1 1 14 CYS CA C 9.681 0.104 -6.195 1.00 . A A . 14 CYS CA 1 1 9 8037 1 1 14 CYS CB C 10.330 -1.289 -6.102 1.00 . A A . 14 CYS CB 1 1 9 8038 1 1 14 CYS H H 8.127 -0.520 -7.454 1.00 . A A . 14 CYS H 1 1 9 8039 1 1 14 CYS HA H 9.685 0.512 -5.206 1.00 . A A . 14 CYS HA 1 1 9 8040 1 1 14 CYS HB2 H 10.301 -1.755 -7.107 1.00 . A A . 14 CYS HB2 1 1 9 8041 1 1 14 CYS HB3 H 11.401 -1.171 -5.844 1.00 . A A . 14 CYS HB3 1 1 9 8042 1 1 14 CYS N N 8.321 0.081 -6.681 1.00 . A A . 14 CYS N 1 1 9 8043 1 1 14 CYS O O 10.400 1.228 -8.190 1.00 . A A . 14 CYS O 1 1 9 8044 1 1 14 CYS SG S 9.577 -2.424 -4.876 1.00 . A A . 14 CYS SG 1 1 9 8045 1 1 15 THR C C 13.587 2.218 -7.545 1.00 . A A . 15 THR C 1 1 9 8046 1 1 15 THR CA C 12.326 2.761 -6.901 1.00 . A A . 15 THR CA 1 1 9 8047 1 1 15 THR CB C 12.761 3.879 -5.947 1.00 . A A . 15 THR CB 1 1 9 8048 1 1 15 THR CG2 C 11.512 4.569 -5.386 1.00 . A A . 15 THR CG2 1 1 9 8049 1 1 15 THR H H 11.604 1.628 -5.291 1.00 . A A . 15 THR H 1 1 9 8050 1 1 15 THR HA H 11.763 3.246 -7.682 1.00 . A A . 15 THR HA 1 1 9 8051 1 1 15 THR HB H 13.358 4.634 -6.516 1.00 . A A . 15 THR HB 1 1 9 8052 1 1 15 THR HG1 H 13.334 4.018 -4.109 1.00 . A A . 15 THR HG1 1 1 9 8053 1 1 15 THR HG21 H 11.787 5.451 -4.769 1.00 . A A . 15 THR HG21 1 1 9 8054 1 1 15 THR HG22 H 10.919 3.873 -4.758 1.00 . A A . 15 THR HG22 1 1 9 8055 1 1 15 THR HG23 H 10.877 4.916 -6.231 1.00 . A A . 15 THR HG23 1 1 9 8056 1 1 15 THR N N 11.481 1.743 -6.286 1.00 . A A . 15 THR N 1 1 9 8057 1 1 15 THR O O 14.101 1.146 -7.217 1.00 . A A . 15 THR O 1 1 9 8058 1 1 15 THR OG1 O 13.521 3.403 -4.837 1.00 . A A . 15 THR OG1 1 1 9 8059 1 1 16 ARG C C 16.170 4.037 -7.698 1.00 . A A . 16 ARG C 1 1 9 8060 1 1 16 ARG CA C 15.570 3.065 -8.706 1.00 . A A . 16 ARG CA 1 1 9 8061 1 1 16 ARG CB C 15.945 3.530 -10.134 1.00 . A A . 16 ARG CB 1 1 9 8062 1 1 16 ARG CD C 16.615 1.225 -11.041 1.00 . A A . 16 ARG CD 1 1 9 8063 1 1 16 ARG CG C 15.742 2.475 -11.236 1.00 . A A . 16 ARG CG 1 1 9 8064 1 1 16 ARG CZ C 15.558 -0.505 -12.539 1.00 . A A . 16 ARG CZ 1 1 9 8065 1 1 16 ARG H H 13.636 3.775 -8.843 1.00 . A A . 16 ARG H 1 1 9 8066 1 1 16 ARG HA H 15.994 2.094 -8.518 1.00 . A A . 16 ARG HA 1 1 9 8067 1 1 16 ARG HB2 H 15.352 4.434 -10.383 1.00 . A A . 16 ARG HB2 1 1 9 8068 1 1 16 ARG HB3 H 17.019 3.816 -10.171 1.00 . A A . 16 ARG HB3 1 1 9 8069 1 1 16 ARG HD2 H 17.674 1.522 -10.894 1.00 . A A . 16 ARG HD2 1 1 9 8070 1 1 16 ARG HD3 H 16.286 0.623 -10.168 1.00 . A A . 16 ARG HD3 1 1 9 8071 1 1 16 ARG HE H 17.369 0.379 -12.878 1.00 . A A . 16 ARG HE 1 1 9 8072 1 1 16 ARG HG2 H 14.668 2.204 -11.279 1.00 . A A . 16 ARG HG2 1 1 9 8073 1 1 16 ARG HG3 H 16.010 2.949 -12.206 1.00 . A A . 16 ARG HG3 1 1 9 8074 1 1 16 ARG HH11 H 14.384 0.009 -10.937 1.00 . A A . 16 ARG HH11 1 1 9 8075 1 1 16 ARG HH12 H 13.731 -1.231 -11.954 1.00 . A A . 16 ARG HH12 1 1 9 8076 1 1 16 ARG HH21 H 16.497 -1.329 -14.169 1.00 . A A . 16 ARG HH21 1 1 9 8077 1 1 16 ARG HH22 H 14.928 -1.978 -13.828 1.00 . A A . 16 ARG HH22 1 1 9 8078 1 1 16 ARG N N 14.142 2.993 -8.493 1.00 . A A . 16 ARG N 1 1 9 8079 1 1 16 ARG NE N 16.575 0.368 -12.270 1.00 . A A . 16 ARG NE 1 1 9 8080 1 1 16 ARG NH1 N 14.456 -0.577 -11.743 1.00 . A A . 16 ARG NH1 1 1 9 8081 1 1 16 ARG NH2 N 15.660 -1.328 -13.622 1.00 . A A . 16 ARG NH2 1 1 9 8082 1 1 16 ARG O O 15.790 5.209 -7.654 1.00 . A A . 16 ARG O 1 1 9 8083 1 1 17 SER C C 18.821 3.495 -5.197 1.00 . A A . 17 SER C 1 1 9 8084 1 1 17 SER CA C 17.798 4.377 -5.870 1.00 . A A . 17 SER CA 1 1 9 8085 1 1 17 SER CB C 16.892 4.999 -4.763 1.00 . A A . 17 SER CB 1 1 9 8086 1 1 17 SER H H 17.407 2.624 -6.929 1.00 . A A . 17 SER H 1 1 9 8087 1 1 17 SER HA H 18.329 5.166 -6.382 1.00 . A A . 17 SER HA 1 1 9 8088 1 1 17 SER HB2 H 15.973 5.397 -5.241 1.00 . A A . 17 SER HB2 1 1 9 8089 1 1 17 SER HB3 H 16.581 4.209 -4.052 1.00 . A A . 17 SER HB3 1 1 9 8090 1 1 17 SER HG H 17.147 6.099 -3.169 1.00 . A A . 17 SER HG 1 1 9 8091 1 1 17 SER N N 17.105 3.574 -6.860 1.00 . A A . 17 SER N 1 1 9 8092 1 1 17 SER O O 18.886 2.290 -5.427 1.00 . A A . 17 SER O 1 1 9 8093 1 1 17 SER OG O 17.536 6.072 -4.059 1.00 . A A . 17 SER OG 1 1 9 8094 1 1 18 GLN C C 20.957 4.215 -2.341 1.00 . A A . 18 GLN C 1 1 9 8095 1 1 18 GLN CA C 20.732 3.441 -3.634 1.00 . A A . 18 GLN CA 1 1 9 8096 1 1 18 GLN CB C 22.029 3.534 -4.471 1.00 . A A . 18 GLN CB 1 1 9 8097 1 1 18 GLN CD C 23.341 2.681 -6.456 1.00 . A A . 18 GLN CD 1 1 9 8098 1 1 18 GLN CG C 22.057 2.551 -5.660 1.00 . A A . 18 GLN CG 1 1 9 8099 1 1 18 GLN H H 19.456 5.042 -4.124 1.00 . A A . 18 GLN H 1 1 9 8100 1 1 18 GLN HA H 20.500 2.410 -3.424 1.00 . A A . 18 GLN HA 1 1 9 8101 1 1 18 GLN HB2 H 22.103 4.582 -4.840 1.00 . A A . 18 GLN HB2 1 1 9 8102 1 1 18 GLN HB3 H 22.914 3.334 -3.824 1.00 . A A . 18 GLN HB3 1 1 9 8103 1 1 18 GLN HE21 H 24.138 1.078 -5.514 1.00 . A A . 18 GLN HE21 1 1 9 8104 1 1 18 GLN HE22 H 25.194 1.903 -6.658 1.00 . A A . 18 GLN HE22 1 1 9 8105 1 1 18 GLN HG2 H 21.933 1.508 -5.301 1.00 . A A . 18 GLN HG2 1 1 9 8106 1 1 18 GLN HG3 H 21.219 2.760 -6.358 1.00 . A A . 18 GLN HG3 1 1 9 8107 1 1 18 GLN N N 19.623 4.075 -4.308 1.00 . A A . 18 GLN N 1 1 9 8108 1 1 18 GLN NE2 N 24.339 1.831 -6.149 1.00 . A A . 18 GLN NE2 1 1 9 8109 1 1 18 GLN O O 21.579 5.281 -2.372 1.00 . A A . 18 GLN O 1 1 9 8110 1 1 18 GLN OE1 O 23.475 3.528 -7.345 1.00 . A A . 18 GLN OE1 1 1 9 8111 1 1 19 PRO C C 18.307 2.598 -1.593 1.00 . A A . 19 PRO C 1 1 9 8112 1 1 19 PRO CA C 19.707 2.546 -0.961 1.00 . A A . 19 PRO CA 1 1 9 8113 1 1 19 PRO CB C 19.643 2.472 0.575 1.00 . A A . 19 PRO CB 1 1 9 8114 1 1 19 PRO CD C 20.595 4.590 0.018 1.00 . A A . 19 PRO CD 1 1 9 8115 1 1 19 PRO CG C 19.647 3.937 1.018 1.00 . A A . 19 PRO CG 1 1 9 8116 1 1 19 PRO HA H 20.247 1.715 -1.386 1.00 . A A . 19 PRO HA 1 1 9 8117 1 1 19 PRO HB2 H 18.749 1.922 0.947 1.00 . A A . 19 PRO HB2 1 1 9 8118 1 1 19 PRO HB3 H 20.579 1.989 0.949 1.00 . A A . 19 PRO HB3 1 1 9 8119 1 1 19 PRO HD2 H 20.308 5.648 -0.181 1.00 . A A . 19 PRO HD2 1 1 9 8120 1 1 19 PRO HD3 H 21.646 4.548 0.379 1.00 . A A . 19 PRO HD3 1 1 9 8121 1 1 19 PRO HG2 H 18.627 4.367 0.900 1.00 . A A . 19 PRO HG2 1 1 9 8122 1 1 19 PRO HG3 H 19.983 4.067 2.065 1.00 . A A . 19 PRO HG3 1 1 9 8123 1 1 19 PRO N N 20.477 3.772 -1.187 1.00 . A A . 19 PRO N 1 1 9 8124 1 1 19 PRO O O 17.785 3.696 -1.798 1.00 . A A . 19 PRO O 1 1 9 8125 1 1 20 PRO C C 15.262 1.838 -1.702 1.00 . A A . 20 PRO C 1 1 9 8126 1 1 20 PRO CA C 16.395 1.478 -2.637 1.00 . A A . 20 PRO CA 1 1 9 8127 1 1 20 PRO CB C 16.270 0.024 -3.114 1.00 . A A . 20 PRO CB 1 1 9 8128 1 1 20 PRO CD C 18.172 0.127 -1.681 1.00 . A A . 20 PRO CD 1 1 9 8129 1 1 20 PRO CG C 16.995 -0.780 -2.037 1.00 . A A . 20 PRO CG 1 1 9 8130 1 1 20 PRO HA H 16.375 2.181 -3.453 1.00 . A A . 20 PRO HA 1 1 9 8131 1 1 20 PRO HB2 H 15.222 -0.306 -3.260 1.00 . A A . 20 PRO HB2 1 1 9 8132 1 1 20 PRO HB3 H 16.819 -0.082 -4.079 1.00 . A A . 20 PRO HB3 1 1 9 8133 1 1 20 PRO HD2 H 18.453 0.012 -0.608 1.00 . A A . 20 PRO HD2 1 1 9 8134 1 1 20 PRO HD3 H 19.039 -0.089 -2.348 1.00 . A A . 20 PRO HD3 1 1 9 8135 1 1 20 PRO HG2 H 16.328 -0.892 -1.152 1.00 . A A . 20 PRO HG2 1 1 9 8136 1 1 20 PRO HG3 H 17.315 -1.778 -2.393 1.00 . A A . 20 PRO HG3 1 1 9 8137 1 1 20 PRO N N 17.689 1.482 -1.964 1.00 . A A . 20 PRO N 1 1 9 8138 1 1 20 PRO O O 15.469 2.011 -0.502 1.00 . A A . 20 PRO O 1 1 9 8139 1 1 21 THR C C 11.673 1.838 -2.240 1.00 . A A . 21 THR C 1 1 9 8140 1 1 21 THR CA C 12.868 2.319 -1.471 1.00 . A A . 21 THR CA 1 1 9 8141 1 1 21 THR CB C 12.683 3.830 -1.262 1.00 . A A . 21 THR CB 1 1 9 8142 1 1 21 THR CG2 C 13.199 4.208 0.126 1.00 . A A . 21 THR CG2 1 1 9 8143 1 1 21 THR H H 13.905 1.885 -3.231 1.00 . A A . 21 THR H 1 1 9 8144 1 1 21 THR HA H 12.858 1.795 -0.524 1.00 . A A . 21 THR HA 1 1 9 8145 1 1 21 THR HB H 11.608 4.113 -1.333 1.00 . A A . 21 THR HB 1 1 9 8146 1 1 21 THR HG1 H 14.318 4.568 -1.898 1.00 . A A . 21 THR HG1 1 1 9 8147 1 1 21 THR HG21 H 14.285 3.999 0.215 1.00 . A A . 21 THR HG21 1 1 9 8148 1 1 21 THR HG22 H 12.661 3.622 0.901 1.00 . A A . 21 THR HG22 1 1 9 8149 1 1 21 THR HG23 H 13.043 5.284 0.331 1.00 . A A . 21 THR HG23 1 1 9 8150 1 1 21 THR N N 14.041 1.937 -2.237 1.00 . A A . 21 THR N 1 1 9 8151 1 1 21 THR O O 11.680 1.714 -3.462 1.00 . A A . 21 THR O 1 1 9 8152 1 1 21 THR OG1 O 13.398 4.628 -2.201 1.00 . A A . 21 THR OG1 1 1 9 8153 1 1 22 CYS C C 8.187 1.388 -1.517 1.00 . A A . 22 CYS C 1 1 9 8154 1 1 22 CYS CA C 9.438 0.964 -2.242 1.00 . A A . 22 CYS CA 1 1 9 8155 1 1 22 CYS CB C 9.611 -0.557 -2.466 1.00 . A A . 22 CYS CB 1 1 9 8156 1 1 22 CYS H H 10.551 1.514 -0.544 1.00 . A A . 22 CYS H 1 1 9 8157 1 1 22 CYS HA H 9.330 1.449 -3.199 1.00 . A A . 22 CYS HA 1 1 9 8158 1 1 22 CYS HB2 H 10.629 -0.711 -2.882 1.00 . A A . 22 CYS HB2 1 1 9 8159 1 1 22 CYS HB3 H 9.608 -1.050 -1.482 1.00 . A A . 22 CYS HB3 1 1 9 8160 1 1 22 CYS N N 10.590 1.479 -1.545 1.00 . A A . 22 CYS N 1 1 9 8161 1 1 22 CYS O O 8.227 1.938 -0.415 1.00 . A A . 22 CYS O 1 1 9 8162 1 1 22 CYS SG S 8.430 -1.319 -3.611 1.00 . A A . 22 CYS SG 1 1 9 8163 1 1 23 ARG C C 4.683 1.474 -2.592 1.00 . A A . 23 ARG C 1 1 9 8164 1 1 23 ARG CA C 5.888 2.019 -1.877 1.00 . A A . 23 ARG CA 1 1 9 8165 1 1 23 ARG CB C 6.073 3.434 -2.514 1.00 . A A . 23 ARG CB 1 1 9 8166 1 1 23 ARG CD C 5.662 4.957 -0.463 1.00 . A A . 23 ARG CD 1 1 9 8167 1 1 23 ARG CG C 6.622 4.526 -1.584 1.00 . A A . 23 ARG CG 1 1 9 8168 1 1 23 ARG CZ C 4.224 6.711 -1.604 1.00 . A A . 23 ARG CZ 1 1 9 8169 1 1 23 ARG H H 7.049 0.750 -3.036 1.00 . A A . 23 ARG H 1 1 9 8170 1 1 23 ARG HA H 5.670 2.067 -0.825 1.00 . A A . 23 ARG HA 1 1 9 8171 1 1 23 ARG HB2 H 6.756 3.324 -3.387 1.00 . A A . 23 ARG HB2 1 1 9 8172 1 1 23 ARG HB3 H 5.112 3.837 -2.906 1.00 . A A . 23 ARG HB3 1 1 9 8173 1 1 23 ARG HD2 H 5.386 4.088 0.167 1.00 . A A . 23 ARG HD2 1 1 9 8174 1 1 23 ARG HD3 H 6.113 5.739 0.179 1.00 . A A . 23 ARG HD3 1 1 9 8175 1 1 23 ARG HE H 3.580 4.888 -0.992 1.00 . A A . 23 ARG HE 1 1 9 8176 1 1 23 ARG HG2 H 7.561 4.147 -1.138 1.00 . A A . 23 ARG HG2 1 1 9 8177 1 1 23 ARG HG3 H 6.872 5.422 -2.197 1.00 . A A . 23 ARG HG3 1 1 9 8178 1 1 23 ARG HH11 H 6.165 7.337 -1.391 1.00 . A A . 23 ARG HH11 1 1 9 8179 1 1 23 ARG HH12 H 5.123 8.494 -2.130 1.00 . A A . 23 ARG HH12 1 1 9 8180 1 1 23 ARG HH21 H 2.264 6.340 -1.995 1.00 . A A . 23 ARG HH21 1 1 9 8181 1 1 23 ARG HH22 H 2.798 7.914 -2.495 1.00 . A A . 23 ARG HH22 1 1 9 8182 1 1 23 ARG N N 7.023 1.174 -2.130 1.00 . A A . 23 ARG N 1 1 9 8183 1 1 23 ARG NE N 4.386 5.476 -1.037 1.00 . A A . 23 ARG NE 1 1 9 8184 1 1 23 ARG NH1 N 5.255 7.596 -1.709 1.00 . A A . 23 ARG NH1 1 1 9 8185 1 1 23 ARG NH2 N 2.984 7.027 -2.077 1.00 . A A . 23 ARG NH2 1 1 9 8186 1 1 23 ARG O O 4.717 0.992 -3.714 1.00 . A A . 23 ARG O 1 1 9 8187 1 1 24 CYS C C 1.788 2.740 -3.043 1.00 . A A . 24 CYS C 1 1 9 8188 1 1 24 CYS CA C 2.244 1.397 -2.536 1.00 . A A . 24 CYS CA 1 1 9 8189 1 1 24 CYS CB C 1.236 0.774 -1.536 1.00 . A A . 24 CYS CB 1 1 9 8190 1 1 24 CYS H H 3.574 2.006 -1.023 1.00 . A A . 24 CYS H 1 1 9 8191 1 1 24 CYS HA H 2.308 0.760 -3.403 1.00 . A A . 24 CYS HA 1 1 9 8192 1 1 24 CYS HB2 H 1.196 1.410 -0.626 1.00 . A A . 24 CYS HB2 1 1 9 8193 1 1 24 CYS HB3 H 0.211 0.735 -1.963 1.00 . A A . 24 CYS HB3 1 1 9 8194 1 1 24 CYS N N 3.539 1.584 -1.922 1.00 . A A . 24 CYS N 1 1 9 8195 1 1 24 CYS O O 2.393 3.767 -2.743 1.00 . A A . 24 CYS O 1 1 9 8196 1 1 24 CYS SG S 1.748 -0.915 -1.082 1.00 . A A . 24 CYS SG 1 1 9 8197 1 1 25 VAL C C -1.042 3.507 -5.170 1.00 . A A . 25 VAL C 1 1 9 8198 1 1 25 VAL CA C 0.343 3.886 -4.662 1.00 . A A . 25 VAL CA 1 1 9 8199 1 1 25 VAL CB C 1.260 4.010 -5.902 1.00 . A A . 25 VAL CB 1 1 9 8200 1 1 25 VAL CG1 C 2.619 4.673 -5.607 1.00 . A A . 25 VAL CG1 1 1 9 8201 1 1 25 VAL CG2 C 1.538 2.629 -6.513 1.00 . A A . 25 VAL CG2 1 1 9 8202 1 1 25 VAL H H 0.330 1.915 -4.087 1.00 . A A . 25 VAL H 1 1 9 8203 1 1 25 VAL HA H 0.290 4.813 -4.120 1.00 . A A . 25 VAL HA 1 1 9 8204 1 1 25 VAL HB H 0.742 4.648 -6.658 1.00 . A A . 25 VAL HB 1 1 9 8205 1 1 25 VAL HG11 H 2.493 5.609 -5.026 1.00 . A A . 25 VAL HG11 1 1 9 8206 1 1 25 VAL HG12 H 3.145 4.899 -6.559 1.00 . A A . 25 VAL HG12 1 1 9 8207 1 1 25 VAL HG13 H 3.275 3.975 -5.041 1.00 . A A . 25 VAL HG13 1 1 9 8208 1 1 25 VAL HG21 H 2.174 2.047 -5.818 1.00 . A A . 25 VAL HG21 1 1 9 8209 1 1 25 VAL HG22 H 2.074 2.747 -7.478 1.00 . A A . 25 VAL HG22 1 1 9 8210 1 1 25 VAL HG23 H 0.598 2.072 -6.684 1.00 . A A . 25 VAL HG23 1 1 9 8211 1 1 25 VAL N N 0.665 2.797 -3.756 1.00 . A A . 25 VAL N 1 1 9 8212 1 1 25 VAL O O -1.402 3.503 -6.341 1.00 . A A . 25 VAL O 1 1 9 8213 1 1 26 ASP C C -3.955 3.958 -3.198 1.00 . A A . 26 ASP C 1 1 9 8214 1 1 26 ASP CA C -3.319 3.083 -4.267 1.00 . A A . 26 ASP CA 1 1 9 8215 1 1 26 ASP CB C -3.765 1.600 -4.128 1.00 . A A . 26 ASP CB 1 1 9 8216 1 1 26 ASP CG C -3.018 0.861 -3.029 1.00 . A A . 26 ASP CG 1 1 9 8217 1 1 26 ASP H H -1.556 3.200 -3.239 1.00 . A A . 26 ASP H 1 1 9 8218 1 1 26 ASP HA H -3.656 3.482 -5.215 1.00 . A A . 26 ASP HA 1 1 9 8219 1 1 26 ASP HB2 H -4.847 1.557 -3.893 1.00 . A A . 26 ASP HB2 1 1 9 8220 1 1 26 ASP HB3 H -3.615 1.095 -5.103 1.00 . A A . 26 ASP HB3 1 1 9 8221 1 1 26 ASP HD2 H -2.042 0.007 -4.469 1.00 . A A . 26 ASP HD2 1 1 9 8222 1 1 26 ASP N N -1.891 3.203 -4.173 1.00 . A A . 26 ASP N 1 1 9 8223 1 1 26 ASP O O -3.357 4.198 -2.152 1.00 . A A . 26 ASP O 1 1 9 8224 1 1 26 ASP OD1 O -3.131 1.042 -1.839 1.00 . A A . 26 ASP OD1 1 1 9 8225 1 1 26 ASP OD2 O -2.160 -0.099 -3.526 1.00 . A A . 26 ASP OD2 1 1 9 8226 1 1 27 VAL C C -7.260 4.490 -2.285 1.00 . A A . 27 VAL C 1 1 9 8227 1 1 27 VAL CA C -5.960 5.221 -2.513 1.00 . A A . 27 VAL CA 1 1 9 8228 1 1 27 VAL CB C -6.205 6.626 -2.989 1.00 . A A . 27 VAL CB 1 1 9 8229 1 1 27 VAL CG1 C -6.888 7.440 -1.887 1.00 . A A . 27 VAL CG1 1 1 9 8230 1 1 27 VAL CG2 C -4.851 7.275 -3.272 1.00 . A A . 27 VAL CG2 1 1 9 8231 1 1 27 VAL H H -5.627 4.333 -4.336 1.00 . A A . 27 VAL H 1 1 9 8232 1 1 27 VAL HA H -5.460 5.263 -1.561 1.00 . A A . 27 VAL HA 1 1 9 8233 1 1 27 VAL HB H -6.806 6.595 -3.919 1.00 . A A . 27 VAL HB 1 1 9 8234 1 1 27 VAL HG11 H -7.927 7.102 -1.736 1.00 . A A . 27 VAL HG11 1 1 9 8235 1 1 27 VAL HG12 H -6.904 8.509 -2.183 1.00 . A A . 27 VAL HG12 1 1 9 8236 1 1 27 VAL HG13 H -6.318 7.343 -0.940 1.00 . A A . 27 VAL HG13 1 1 9 8237 1 1 27 VAL HG21 H -4.367 6.827 -4.163 1.00 . A A . 27 VAL HG21 1 1 9 8238 1 1 27 VAL HG22 H -4.209 7.116 -2.381 1.00 . A A . 27 VAL HG22 1 1 9 8239 1 1 27 VAL HG23 H -4.982 8.366 -3.439 1.00 . A A . 27 VAL HG23 1 1 9 8240 1 1 27 VAL N N -5.173 4.464 -3.456 1.00 . A A . 27 VAL N 1 1 9 8241 1 1 27 VAL O O -8.291 4.719 -2.908 1.00 . A A . 27 VAL O 1 1 9 8242 1 1 28 ARG C C -7.932 2.057 0.325 1.00 . A A . 28 ARG C 1 1 9 8243 1 1 28 ARG CA C -8.252 2.624 -1.019 1.00 . A A . 28 ARG CA 1 1 9 8244 1 1 28 ARG CB C -8.287 1.443 -2.011 1.00 . A A . 28 ARG CB 1 1 9 8245 1 1 28 ARG CD C -9.249 0.443 -4.107 1.00 . A A . 28 ARG CD 1 1 9 8246 1 1 28 ARG CG C -9.290 1.627 -3.146 1.00 . A A . 28 ARG CG 1 1 9 8247 1 1 28 ARG CZ C -11.621 0.138 -4.924 1.00 . A A . 28 ARG CZ 1 1 9 8248 1 1 28 ARG H H -6.332 3.441 -0.889 1.00 . A A . 28 ARG H 1 1 9 8249 1 1 28 ARG HA H -9.203 3.113 -0.958 1.00 . A A . 28 ARG HA 1 1 9 8250 1 1 28 ARG HB2 H -7.263 1.318 -2.421 1.00 . A A . 28 ARG HB2 1 1 9 8251 1 1 28 ARG HB3 H -8.576 0.494 -1.503 1.00 . A A . 28 ARG HB3 1 1 9 8252 1 1 28 ARG HD2 H -8.279 0.439 -4.646 1.00 . A A . 28 ARG HD2 1 1 9 8253 1 1 28 ARG HD3 H -9.353 -0.512 -3.552 1.00 . A A . 28 ARG HD3 1 1 9 8254 1 1 28 ARG HE H -10.183 1.200 -5.897 1.00 . A A . 28 ARG HE 1 1 9 8255 1 1 28 ARG HG2 H -10.308 1.715 -2.702 1.00 . A A . 28 ARG HG2 1 1 9 8256 1 1 28 ARG HG3 H -9.054 2.563 -3.695 1.00 . A A . 28 ARG HG3 1 1 9 8257 1 1 28 ARG HH11 H -11.224 -0.932 -3.217 1.00 . A A . 28 ARG HH11 1 1 9 8258 1 1 28 ARG HH12 H -12.867 -1.017 -3.768 1.00 . A A . 28 ARG HH12 1 1 9 8259 1 1 28 ARG HH21 H -12.391 1.115 -6.559 1.00 . A A . 28 ARG HH21 1 1 9 8260 1 1 28 ARG HH22 H -13.535 0.172 -5.662 1.00 . A A . 28 ARG HH22 1 1 9 8261 1 1 28 ARG N N -7.203 3.544 -1.355 1.00 . A A . 28 ARG N 1 1 9 8262 1 1 28 ARG NE N -10.354 0.614 -5.106 1.00 . A A . 28 ARG NE 1 1 9 8263 1 1 28 ARG NH1 N -11.932 -0.679 -3.876 1.00 . A A . 28 ARG NH1 1 1 9 8264 1 1 28 ARG NH2 N -12.599 0.494 -5.805 1.00 . A A . 28 ARG NH2 1 1 9 8265 1 1 28 ARG O O -8.536 2.406 1.337 1.00 . A A . 28 ARG O 1 1 9 8266 1 1 29 GLU C C -6.141 0.815 2.593 1.00 . A A . 29 GLU C 1 1 9 8267 1 1 29 GLU CA C -6.512 0.224 1.261 1.00 . A A . 29 GLU CA 1 1 9 8268 1 1 29 GLU CB C -5.391 -0.660 0.700 1.00 . A A . 29 GLU CB 1 1 9 8269 1 1 29 GLU CD C -4.697 -2.455 -0.896 1.00 . A A . 29 GLU CD 1 1 9 8270 1 1 29 GLU CG C -5.889 -1.764 -0.268 1.00 . A A . 29 GLU CG 1 1 9 8271 1 1 29 GLU H H -6.583 0.907 -0.613 1.00 . A A . 29 GLU H 1 1 9 8272 1 1 29 GLU HA H -7.349 -0.415 1.439 1.00 . A A . 29 GLU HA 1 1 9 8273 1 1 29 GLU HB2 H -4.680 0.020 0.190 1.00 . A A . 29 GLU HB2 1 1 9 8274 1 1 29 GLU HB3 H -4.854 -1.152 1.541 1.00 . A A . 29 GLU HB3 1 1 9 8275 1 1 29 GLU HE2 H -3.278 -1.910 -1.963 1.00 . A A . 29 GLU HE2 1 1 9 8276 1 1 29 GLU HG2 H -6.484 -2.511 0.295 1.00 . A A . 29 GLU HG2 1 1 9 8277 1 1 29 GLU HG3 H -6.518 -1.342 -1.078 1.00 . A A . 29 GLU HG3 1 1 9 8278 1 1 29 GLU N N -6.972 1.124 0.265 1.00 . A A . 29 GLU N 1 1 9 8279 1 1 29 GLU O O -5.170 1.548 2.773 1.00 . A A . 29 GLU O 1 1 9 8280 1 1 29 GLU OE1 O -4.098 -3.442 -0.511 1.00 . A A . 29 GLU OE1 1 1 9 8281 1 1 29 GLU OE2 O -4.216 -1.751 -1.967 1.00 . A A . 29 GLU OE2 1 1 9 8282 1 1 30 SER C C -5.386 -0.108 5.426 1.00 . A A . 30 SER C 1 1 9 8283 1 1 30 SER CA C -6.698 0.523 4.987 1.00 . A A . 30 SER CA 1 1 9 8284 1 1 30 SER CB C -7.856 -0.032 5.868 1.00 . A A . 30 SER CB 1 1 9 8285 1 1 30 SER H H -7.737 -0.124 3.252 1.00 . A A . 30 SER H 1 1 9 8286 1 1 30 SER HA H -6.578 1.580 5.190 1.00 . A A . 30 SER HA 1 1 9 8287 1 1 30 SER HB2 H -7.565 0.024 6.945 1.00 . A A . 30 SER HB2 1 1 9 8288 1 1 30 SER HB3 H -8.754 0.616 5.730 1.00 . A A . 30 SER HB3 1 1 9 8289 1 1 30 SER HG H -9.051 -1.569 6.016 1.00 . A A . 30 SER HG 1 1 9 8290 1 1 30 SER N N -6.962 0.429 3.565 1.00 . A A . 30 SER N 1 1 9 8291 1 1 30 SER O O -4.823 -1.012 4.802 1.00 . A A . 30 SER O 1 1 9 8292 1 1 30 SER OG O -8.221 -1.377 5.528 1.00 . A A . 30 SER OG 1 1 9 8293 1 1 31 CYS C C -3.222 -1.158 7.629 1.00 . A A . 31 CYS C 1 1 9 8294 1 1 31 CYS CA C -3.434 0.137 6.858 1.00 . A A . 31 CYS CA 1 1 9 8295 1 1 31 CYS CB C -2.876 1.305 7.688 1.00 . A A . 31 CYS CB 1 1 9 8296 1 1 31 CYS H H -5.300 1.109 7.058 1.00 . A A . 31 CYS H 1 1 9 8297 1 1 31 CYS HA H -2.860 0.056 5.943 1.00 . A A . 31 CYS HA 1 1 9 8298 1 1 31 CYS HB2 H -3.594 1.495 8.516 1.00 . A A . 31 CYS HB2 1 1 9 8299 1 1 31 CYS HB3 H -1.874 1.074 8.121 1.00 . A A . 31 CYS HB3 1 1 9 8300 1 1 31 CYS N N -4.812 0.417 6.513 1.00 . A A . 31 CYS N 1 1 9 8301 1 1 31 CYS O O -4.128 -1.830 8.120 1.00 . A A . 31 CYS O 1 1 9 8302 1 1 31 CYS SG S -2.741 2.825 6.717 1.00 . A A . 31 CYS SG 1 1 9 8303 1 1 32 HIS C C -0.314 -2.176 9.364 1.00 . A A . 32 HIS C 1 1 9 8304 1 1 32 HIS CA C -1.563 -2.647 8.636 1.00 . A A . 32 HIS CA 1 1 9 8305 1 1 32 HIS CB C -1.385 -3.983 7.869 1.00 . A A . 32 HIS CB 1 1 9 8306 1 1 32 HIS CD2 C -3.565 -5.342 7.443 1.00 . A A . 32 HIS CD2 1 1 9 8307 1 1 32 HIS CE1 C -3.889 -4.696 5.383 1.00 . A A . 32 HIS CE1 1 1 9 8308 1 1 32 HIS CG C -2.597 -4.451 7.120 1.00 . A A . 32 HIS CG 1 1 9 8309 1 1 32 HIS H H -1.210 -1.049 7.355 1.00 . A A . 32 HIS H 1 1 9 8310 1 1 32 HIS HA H -2.315 -2.776 9.400 1.00 . A A . 32 HIS HA 1 1 9 8311 1 1 32 HIS HB2 H -0.585 -3.860 7.112 1.00 . A A . 32 HIS HB2 1 1 9 8312 1 1 32 HIS HB3 H -1.150 -4.822 8.550 1.00 . A A . 32 HIS HB3 1 1 9 8313 1 1 32 HIS HD1 H -2.257 -3.437 5.299 1.00 . A A . 32 HIS HD1 1 1 9 8314 1 1 32 HIS HD2 H -3.715 -5.889 8.367 1.00 . A A . 32 HIS HD2 1 1 9 8315 1 1 32 HIS HE1 H -4.275 -4.576 4.397 1.00 . A A . 32 HIS HE1 1 1 9 8316 1 1 32 HIS HE2 H -5.145 -6.106 6.259 1.00 . A A . 32 HIS HE2 1 1 9 8317 1 1 32 HIS N N -1.951 -1.574 7.750 1.00 . A A . 32 HIS N 1 1 9 8318 1 1 32 HIS ND1 N -2.820 -4.066 5.831 1.00 . A A . 32 HIS ND1 1 1 9 8319 1 1 32 HIS NE2 N -4.362 -5.482 6.340 1.00 . A A . 32 HIS NE2 1 1 9 8320 1 1 32 HIS O O -0.196 -1.001 9.691 1.00 . A A . 32 HIS O 1 1 9 8321 1 1 33 SER C C 2.921 -1.976 9.865 1.00 . A A . 33 SER C 1 1 9 8322 1 1 33 SER CA C 1.763 -2.700 10.544 1.00 . A A . 33 SER CA 1 1 9 8323 1 1 33 SER CB C 2.285 -3.999 11.187 1.00 . A A . 33 SER CB 1 1 9 8324 1 1 33 SER H H 0.629 -4.011 9.458 1.00 . A A . 33 SER H 1 1 9 8325 1 1 33 SER HA H 1.396 -2.049 11.327 1.00 . A A . 33 SER HA 1 1 9 8326 1 1 33 SER HB2 H 2.637 -4.695 10.395 1.00 . A A . 33 SER HB2 1 1 9 8327 1 1 33 SER HB3 H 3.132 -3.807 11.878 1.00 . A A . 33 SER HB3 1 1 9 8328 1 1 33 SER HG H 1.705 -5.414 12.350 1.00 . A A . 33 SER HG 1 1 9 8329 1 1 33 SER N N 0.665 -3.041 9.657 1.00 . A A . 33 SER N 1 1 9 8330 1 1 33 SER O O 3.504 -1.037 10.405 1.00 . A A . 33 SER O 1 1 9 8331 1 1 33 SER OG O 1.250 -4.657 11.920 1.00 . A A . 33 SER OG 1 1 9 8332 1 1 34 ALA C C 4.037 -0.301 7.379 1.00 . A A . 34 ALA C 1 1 9 8333 1 1 34 ALA CA C 4.322 -1.734 7.830 1.00 . A A . 34 ALA CA 1 1 9 8334 1 1 34 ALA CB C 4.606 -2.587 6.579 1.00 . A A . 34 ALA CB 1 1 9 8335 1 1 34 ALA H H 2.907 -3.196 8.233 1.00 . A A . 34 ALA H 1 1 9 8336 1 1 34 ALA HA H 5.197 -1.702 8.452 1.00 . A A . 34 ALA HA 1 1 9 8337 1 1 34 ALA HB1 H 4.897 -3.621 6.860 1.00 . A A . 34 ALA HB1 1 1 9 8338 1 1 34 ALA HB2 H 5.455 -2.153 6.012 1.00 . A A . 34 ALA HB2 1 1 9 8339 1 1 34 ALA HB3 H 3.716 -2.645 5.919 1.00 . A A . 34 ALA HB3 1 1 9 8340 1 1 34 ALA N N 3.270 -2.355 8.618 1.00 . A A . 34 ALA N 1 1 9 8341 1 1 34 ALA O O 4.879 0.417 6.843 1.00 . A A . 34 ALA O 1 1 9 8342 1 1 35 CYS C C 2.099 2.321 8.470 1.00 . A A . 35 CYS C 1 1 9 8343 1 1 35 CYS CA C 2.353 1.474 7.234 1.00 . A A . 35 CYS CA 1 1 9 8344 1 1 35 CYS CB C 1.078 1.373 6.377 1.00 . A A . 35 CYS CB 1 1 9 8345 1 1 35 CYS H H 2.179 -0.461 8.070 1.00 . A A . 35 CYS H 1 1 9 8346 1 1 35 CYS HA H 3.111 1.972 6.649 1.00 . A A . 35 CYS HA 1 1 9 8347 1 1 35 CYS HB2 H 1.296 0.668 5.537 1.00 . A A . 35 CYS HB2 1 1 9 8348 1 1 35 CYS HB3 H 0.265 0.940 7.007 1.00 . A A . 35 CYS HB3 1 1 9 8349 1 1 35 CYS N N 2.796 0.144 7.581 1.00 . A A . 35 CYS N 1 1 9 8350 1 1 35 CYS O O 1.171 2.069 9.227 1.00 . A A . 35 CYS O 1 1 9 8351 1 1 35 CYS SG S 0.537 2.967 5.700 1.00 . A A . 35 CYS SG 1 1 9 8352 1 1 36 ASP C C 1.875 5.514 9.325 1.00 . A A . 36 ASP C 1 1 9 8353 1 1 36 ASP CA C 2.740 4.324 9.767 1.00 . A A . 36 ASP CA 1 1 9 8354 1 1 36 ASP CB C 4.139 4.755 10.325 1.00 . A A . 36 ASP CB 1 1 9 8355 1 1 36 ASP CG C 5.021 5.397 9.267 1.00 . A A . 36 ASP CG 1 1 9 8356 1 1 36 ASP H H 3.720 3.529 8.116 1.00 . A A . 36 ASP H 1 1 9 8357 1 1 36 ASP HA H 2.201 3.849 10.581 1.00 . A A . 36 ASP HA 1 1 9 8358 1 1 36 ASP HB2 H 4.014 5.431 11.189 1.00 . A A . 36 ASP HB2 1 1 9 8359 1 1 36 ASP HB3 H 4.668 3.845 10.683 1.00 . A A . 36 ASP HB3 1 1 9 8360 1 1 36 ASP HD2 H 5.156 6.962 10.438 1.00 . A A . 36 ASP HD2 1 1 9 8361 1 1 36 ASP N N 2.915 3.368 8.689 1.00 . A A . 36 ASP N 1 1 9 8362 1 1 36 ASP O O 0.815 5.785 9.885 1.00 . A A . 36 ASP O 1 1 9 8363 1 1 36 ASP OD1 O 5.136 4.981 8.130 1.00 . A A . 36 ASP OD1 1 1 9 8364 1 1 36 ASP OD2 O 5.579 6.587 9.656 1.00 . A A . 36 ASP OD2 1 1 9 8365 1 1 37 LYS C C 0.471 7.103 6.861 1.00 . A A . 37 LYS C 1 1 9 8366 1 1 37 LYS CA C 1.608 7.440 7.808 1.00 . A A . 37 LYS CA 1 1 9 8367 1 1 37 LYS CB C 2.567 8.468 7.167 1.00 . A A . 37 LYS CB 1 1 9 8368 1 1 37 LYS CD C 1.451 10.594 8.129 1.00 . A A . 37 LYS CD 1 1 9 8369 1 1 37 LYS CE C 1.079 12.052 7.825 1.00 . A A . 37 LYS CE 1 1 9 8370 1 1 37 LYS CG C 1.939 9.845 6.879 1.00 . A A . 37 LYS CG 1 1 9 8371 1 1 37 LYS H H 3.156 6.032 7.827 1.00 . A A . 37 LYS H 1 1 9 8372 1 1 37 LYS HA H 1.157 7.910 8.668 1.00 . A A . 37 LYS HA 1 1 9 8373 1 1 37 LYS HB2 H 3.445 8.608 7.831 1.00 . A A . 37 LYS HB2 1 1 9 8374 1 1 37 LYS HB3 H 2.958 8.066 6.214 1.00 . A A . 37 LYS HB3 1 1 9 8375 1 1 37 LYS HD2 H 0.568 10.067 8.554 1.00 . A A . 37 LYS HD2 1 1 9 8376 1 1 37 LYS HD3 H 2.257 10.591 8.898 1.00 . A A . 37 LYS HD3 1 1 9 8377 1 1 37 LYS HE2 H 1.982 12.634 7.546 1.00 . A A . 37 LYS HE2 1 1 9 8378 1 1 37 LYS HE3 H 0.345 12.103 6.996 1.00 . A A . 37 LYS HE3 1 1 9 8379 1 1 37 LYS HG2 H 2.707 10.465 6.365 1.00 . A A . 37 LYS HG2 1 1 9 8380 1 1 37 LYS HG3 H 1.087 9.729 6.172 1.00 . A A . 37 LYS HG3 1 1 9 8381 1 1 37 LYS HZ1 H 1.126 12.677 9.807 1.00 . A A . 37 LYS HZ1 1 1 9 8382 1 1 37 LYS HZ2 H -0.412 12.209 9.260 1.00 . A A . 37 LYS HZ2 1 1 9 8383 1 1 37 LYS HZ3 H 0.244 13.693 8.769 1.00 . A A . 37 LYS HZ3 1 1 9 8384 1 1 37 LYS N N 2.303 6.257 8.282 1.00 . A A . 37 LYS N 1 1 9 8385 1 1 37 LYS NZ N 0.467 12.704 9.004 1.00 . A A . 37 LYS NZ 1 1 9 8386 1 1 37 LYS O O 0.568 7.147 5.631 1.00 . A A . 37 LYS O 1 1 9 8387 1 1 38 CYS C C -2.670 7.863 6.924 1.00 . A A . 38 CYS C 1 1 9 8388 1 1 38 CYS CA C -1.949 6.544 6.929 1.00 . A A . 38 CYS CA 1 1 9 8389 1 1 38 CYS CB C -2.690 5.598 7.889 1.00 . A A . 38 CYS CB 1 1 9 8390 1 1 38 CYS H H -0.631 6.611 8.476 1.00 . A A . 38 CYS H 1 1 9 8391 1 1 38 CYS HA H -1.899 6.175 5.912 1.00 . A A . 38 CYS HA 1 1 9 8392 1 1 38 CYS HB2 H -2.658 6.081 8.893 1.00 . A A . 38 CYS HB2 1 1 9 8393 1 1 38 CYS HB3 H -3.748 5.451 7.586 1.00 . A A . 38 CYS HB3 1 1 9 8394 1 1 38 CYS N N -0.645 6.734 7.485 1.00 . A A . 38 CYS N 1 1 9 8395 1 1 38 CYS O O -2.897 8.453 7.979 1.00 . A A . 38 CYS O 1 1 9 8396 1 1 38 CYS SG S -1.822 4.022 8.053 1.00 . A A . 38 CYS SG 1 1 9 8397 1 1 39 VAL C C -5.095 9.092 4.833 1.00 . A A . 39 VAL C 1 1 9 8398 1 1 39 VAL CA C -3.923 9.530 5.700 1.00 . A A . 39 VAL CA 1 1 9 8399 1 1 39 VAL CB C -3.220 10.787 5.230 1.00 . A A . 39 VAL CB 1 1 9 8400 1 1 39 VAL CG1 C -1.717 10.731 5.515 1.00 . A A . 39 VAL CG1 1 1 9 8401 1 1 39 VAL CG2 C -3.384 11.034 3.742 1.00 . A A . 39 VAL CG2 1 1 9 8402 1 1 39 VAL H H -2.750 8.061 4.857 1.00 . A A . 39 VAL H 1 1 9 8403 1 1 39 VAL HA H -4.317 9.764 6.674 1.00 . A A . 39 VAL HA 1 1 9 8404 1 1 39 VAL HB H -3.624 11.647 5.783 1.00 . A A . 39 VAL HB 1 1 9 8405 1 1 39 VAL HG11 H -1.249 9.930 4.902 1.00 . A A . 39 VAL HG11 1 1 9 8406 1 1 39 VAL HG12 H -1.541 10.548 6.594 1.00 . A A . 39 VAL HG12 1 1 9 8407 1 1 39 VAL HG13 H -1.269 11.704 5.224 1.00 . A A . 39 VAL HG13 1 1 9 8408 1 1 39 VAL HG21 H -2.709 11.870 3.461 1.00 . A A . 39 VAL HG21 1 1 9 8409 1 1 39 VAL HG22 H -4.432 11.314 3.510 1.00 . A A . 39 VAL HG22 1 1 9 8410 1 1 39 VAL HG23 H -3.088 10.101 3.220 1.00 . A A . 39 VAL HG23 1 1 9 8411 1 1 39 VAL N N -3.038 8.397 5.755 1.00 . A A . 39 VAL N 1 1 9 8412 1 1 39 VAL O O -4.958 8.176 4.015 1.00 . A A . 39 VAL O 1 1 9 8413 1 1 40 CYS C C -8.438 10.256 3.947 1.00 . A A . 40 CYS C 1 1 9 8414 1 1 40 CYS CA C -7.473 9.167 4.363 1.00 . A A . 40 CYS CA 1 1 9 8415 1 1 40 CYS CB C -8.242 8.254 5.331 1.00 . A A . 40 CYS CB 1 1 9 8416 1 1 40 CYS H H -6.419 10.418 5.661 1.00 . A A . 40 CYS H 1 1 9 8417 1 1 40 CYS HA H -7.236 8.619 3.476 1.00 . A A . 40 CYS HA 1 1 9 8418 1 1 40 CYS HB2 H -8.440 8.847 6.235 1.00 . A A . 40 CYS HB2 1 1 9 8419 1 1 40 CYS HB3 H -9.220 8.008 4.892 1.00 . A A . 40 CYS HB3 1 1 9 8420 1 1 40 CYS N N -6.282 9.711 4.968 1.00 . A A . 40 CYS N 1 1 9 8421 1 1 40 CYS O O -8.882 11.109 4.716 1.00 . A A . 40 CYS O 1 1 9 8422 1 1 40 CYS SG S -7.407 6.712 5.819 1.00 . A A . 40 CYS SG 1 1 9 8423 1 1 41 ALA C C -11.225 10.724 2.331 1.00 . A A . 41 ALA C 1 1 9 8424 1 1 41 ALA CA C -9.767 11.041 1.993 1.00 . A A . 41 ALA CA 1 1 9 8425 1 1 41 ALA CB C -9.635 10.930 0.468 1.00 . A A . 41 ALA CB 1 1 9 8426 1 1 41 ALA H H -8.477 9.439 2.142 1.00 . A A . 41 ALA H 1 1 9 8427 1 1 41 ALA HA H -9.604 12.070 2.259 1.00 . A A . 41 ALA HA 1 1 9 8428 1 1 41 ALA HB1 H -8.603 11.194 0.152 1.00 . A A . 41 ALA HB1 1 1 9 8429 1 1 41 ALA HB2 H -10.341 11.638 -0.022 1.00 . A A . 41 ALA HB2 1 1 9 8430 1 1 41 ALA HB3 H -9.855 9.894 0.127 1.00 . A A . 41 ALA HB3 1 1 9 8431 1 1 41 ALA N N -8.753 10.250 2.648 1.00 . A A . 41 ALA N 1 1 9 8432 1 1 41 ALA O O -11.637 9.571 2.462 1.00 . A A . 41 ALA O 1 1 9 8433 1 1 42 TYR C C -14.113 11.464 0.940 1.00 . A A . 42 TYR C 1 1 9 8434 1 1 42 TYR CA C -13.506 11.664 2.316 1.00 . A A . 42 TYR CA 1 1 9 8435 1 1 42 TYR CB C -14.161 12.859 3.046 1.00 . A A . 42 TYR CB 1 1 9 8436 1 1 42 TYR CD1 C -12.523 14.802 3.049 1.00 . A A . 42 TYR CD1 1 1 9 8437 1 1 42 TYR CD2 C -14.353 14.847 1.489 1.00 . A A . 42 TYR CD2 1 1 9 8438 1 1 42 TYR CE1 C -12.032 15.998 2.495 1.00 . A A . 42 TYR CE1 1 1 9 8439 1 1 42 TYR CE2 C -13.852 16.023 0.900 1.00 . A A . 42 TYR CE2 1 1 9 8440 1 1 42 TYR CG C -13.681 14.194 2.538 1.00 . A A . 42 TYR CG 1 1 9 8441 1 1 42 TYR CZ C -12.684 16.590 1.406 1.00 . A A . 42 TYR CZ 1 1 9 8442 1 1 42 TYR H H -11.695 12.690 2.315 1.00 . A A . 42 TYR H 1 1 9 8443 1 1 42 TYR HA H -13.776 10.797 2.889 1.00 . A A . 42 TYR HA 1 1 9 8444 1 1 42 TYR HB2 H -15.267 12.800 3.001 1.00 . A A . 42 TYR HB2 1 1 9 8445 1 1 42 TYR HB3 H -13.869 12.769 4.103 1.00 . A A . 42 TYR HB3 1 1 9 8446 1 1 42 TYR HD1 H -11.995 14.355 3.873 1.00 . A A . 42 TYR HD1 1 1 9 8447 1 1 42 TYR HD2 H -15.271 14.416 1.111 1.00 . A A . 42 TYR HD2 1 1 9 8448 1 1 42 TYR HE1 H -11.138 16.451 2.904 1.00 . A A . 42 TYR HE1 1 1 9 8449 1 1 42 TYR HE2 H -14.348 16.479 0.050 1.00 . A A . 42 TYR HE2 1 1 9 8450 1 1 42 TYR HH H -12.616 17.883 -0.027 1.00 . A A . 42 TYR HH 1 1 9 8451 1 1 42 TYR N N -12.067 11.770 2.326 1.00 . A A . 42 TYR N 1 1 9 8452 1 1 42 TYR O O -14.801 12.290 0.337 1.00 . A A . 42 TYR O 1 1 9 8453 1 1 42 TYR OH O -12.179 17.771 0.838 1.00 . A A . 42 TYR OH 1 1 9 8454 1 1 43 SER C C -16.267 9.543 -0.370 1.00 . A A . 43 SER C 1 1 9 8455 1 1 43 SER CA C -14.802 9.854 -0.725 1.00 . A A . 43 SER CA 1 1 9 8456 1 1 43 SER CB C -14.128 8.693 -1.535 1.00 . A A . 43 SER CB 1 1 9 8457 1 1 43 SER H H -13.346 9.669 0.785 1.00 . A A . 43 SER H 1 1 9 8458 1 1 43 SER HA H -14.853 10.715 -1.417 1.00 . A A . 43 SER HA 1 1 9 8459 1 1 43 SER HB2 H -13.023 8.891 -1.535 1.00 . A A . 43 SER HB2 1 1 9 8460 1 1 43 SER HB3 H -14.349 7.771 -0.950 1.00 . A A . 43 SER HB3 1 1 9 8461 1 1 43 SER HG H -14.034 7.824 -3.259 1.00 . A A . 43 SER HG 1 1 9 8462 1 1 43 SER N N -13.887 10.325 0.311 1.00 . A A . 43 SER N 1 1 9 8463 1 1 43 SER O O -16.925 10.111 0.505 1.00 . A A . 43 SER O 1 1 9 8464 1 1 43 SER OG O -14.564 8.573 -2.901 1.00 . A A . 43 SER OG 1 1 9 8465 1 1 44 ASN C C -17.741 6.341 -1.348 1.00 . A A . 44 ASN C 1 1 9 8466 1 1 44 ASN CA C -18.007 7.740 -0.802 1.00 . A A . 44 ASN CA 1 1 9 8467 1 1 44 ASN CB C -19.210 8.400 -1.507 1.00 . A A . 44 ASN CB 1 1 9 8468 1 1 44 ASN CG C -20.546 7.752 -1.185 1.00 . A A . 44 ASN CG 1 1 9 8469 1 1 44 ASN H H -16.291 8.201 -1.851 1.00 . A A . 44 ASN H 1 1 9 8470 1 1 44 ASN HA H -18.153 7.707 0.269 1.00 . A A . 44 ASN HA 1 1 9 8471 1 1 44 ASN HB2 H -19.256 9.446 -1.163 1.00 . A A . 44 ASN HB2 1 1 9 8472 1 1 44 ASN HB3 H -19.026 8.413 -2.595 1.00 . A A . 44 ASN HB3 1 1 9 8473 1 1 44 ASN HD21 H -20.086 6.023 -2.180 1.00 . A A . 44 ASN HD21 1 1 9 8474 1 1 44 ASN HD22 H -21.629 6.045 -1.384 1.00 . A A . 44 ASN HD22 1 1 9 8475 1 1 44 ASN N N -16.808 8.523 -1.058 1.00 . A A . 44 ASN N 1 1 9 8476 1 1 44 ASN ND2 N -20.775 6.503 -1.646 1.00 . A A . 44 ASN ND2 1 1 9 8477 1 1 44 ASN O O -17.805 6.167 -2.577 1.00 . A A . 44 ASN O 1 1 9 8478 1 1 44 ASN OD1 O -21.423 8.350 -0.565 1.00 . A A . 44 ASN OD1 1 1 9 8479 1 1 45 PRO C C -15.578 5.811 0.947 1.00 . A A . 45 PRO C 1 1 9 8480 1 1 45 PRO CA C -17.043 5.383 0.830 1.00 . A A . 45 PRO CA 1 1 9 8481 1 1 45 PRO CB C -17.210 3.904 1.250 1.00 . A A . 45 PRO CB 1 1 9 8482 1 1 45 PRO CD C -17.455 3.976 -1.102 1.00 . A A . 45 PRO CD 1 1 9 8483 1 1 45 PRO CG C -16.846 3.116 -0.005 1.00 . A A . 45 PRO CG 1 1 9 8484 1 1 45 PRO HA H -17.659 6.075 1.394 1.00 . A A . 45 PRO HA 1 1 9 8485 1 1 45 PRO HB2 H -16.620 3.642 2.147 1.00 . A A . 45 PRO HB2 1 1 9 8486 1 1 45 PRO HB3 H -18.275 3.737 1.515 1.00 . A A . 45 PRO HB3 1 1 9 8487 1 1 45 PRO HD2 H -16.866 3.916 -2.042 1.00 . A A . 45 PRO HD2 1 1 9 8488 1 1 45 PRO HD3 H -18.507 3.669 -1.286 1.00 . A A . 45 PRO HD3 1 1 9 8489 1 1 45 PRO HG2 H -15.746 3.079 -0.115 1.00 . A A . 45 PRO HG2 1 1 9 8490 1 1 45 PRO HG3 H -17.232 2.085 0.013 1.00 . A A . 45 PRO HG3 1 1 9 8491 1 1 45 PRO N N -17.472 5.331 -0.564 1.00 . A A . 45 PRO N 1 1 9 8492 1 1 45 PRO O O -14.899 5.780 -0.078 1.00 . A A . 45 PRO O 1 1 9 8493 1 1 46 PRO C C -12.543 5.973 1.844 1.00 . A A . 46 PRO C 1 1 9 8494 1 1 46 PRO CA C -13.728 6.872 2.166 1.00 . A A . 46 PRO CA 1 1 9 8495 1 1 46 PRO CB C -13.671 7.382 3.610 1.00 . A A . 46 PRO CB 1 1 9 8496 1 1 46 PRO CD C -15.749 6.256 3.366 1.00 . A A . 46 PRO CD 1 1 9 8497 1 1 46 PRO CG C -14.633 6.482 4.377 1.00 . A A . 46 PRO CG 1 1 9 8498 1 1 46 PRO HA H -13.703 7.676 1.454 1.00 . A A . 46 PRO HA 1 1 9 8499 1 1 46 PRO HB2 H -12.652 7.388 4.047 1.00 . A A . 46 PRO HB2 1 1 9 8500 1 1 46 PRO HB3 H -14.081 8.415 3.642 1.00 . A A . 46 PRO HB3 1 1 9 8501 1 1 46 PRO HD2 H -16.263 5.279 3.570 1.00 . A A . 46 PRO HD2 1 1 9 8502 1 1 46 PRO HD3 H -16.449 7.138 3.366 1.00 . A A . 46 PRO HD3 1 1 9 8503 1 1 46 PRO HG2 H -14.134 5.514 4.609 1.00 . A A . 46 PRO HG2 1 1 9 8504 1 1 46 PRO HG3 H -14.996 6.971 5.302 1.00 . A A . 46 PRO HG3 1 1 9 8505 1 1 46 PRO N N -15.038 6.227 2.088 1.00 . A A . 46 PRO N 1 1 9 8506 1 1 46 PRO O O -12.659 4.750 1.808 1.00 . A A . 46 PRO O 1 1 9 8507 1 1 47 GLN C C -8.992 6.427 1.502 1.00 . A A . 47 GLN C 1 1 9 8508 1 1 47 GLN CA C -10.276 5.918 0.873 1.00 . A A . 47 GLN CA 1 1 9 8509 1 1 47 GLN CB C -10.347 6.222 -0.647 1.00 . A A . 47 GLN CB 1 1 9 8510 1 1 47 GLN CD C -11.804 5.913 -2.797 1.00 . A A . 47 GLN CD 1 1 9 8511 1 1 47 GLN CG C -11.566 5.541 -1.333 1.00 . A A . 47 GLN CG 1 1 9 8512 1 1 47 GLN H H -11.211 7.533 1.777 1.00 . A A . 47 GLN H 1 1 9 8513 1 1 47 GLN HA H -10.282 4.853 1.041 1.00 . A A . 47 GLN HA 1 1 9 8514 1 1 47 GLN HB2 H -10.405 7.325 -0.778 1.00 . A A . 47 GLN HB2 1 1 9 8515 1 1 47 GLN HB3 H -9.417 5.869 -1.129 1.00 . A A . 47 GLN HB3 1 1 9 8516 1 1 47 GLN HE21 H -9.915 5.335 -3.354 1.00 . A A . 47 GLN HE21 1 1 9 8517 1 1 47 GLN HE22 H -10.928 6.007 -4.599 1.00 . A A . 47 GLN HE22 1 1 9 8518 1 1 47 GLN HG2 H -11.469 4.439 -1.259 1.00 . A A . 47 GLN HG2 1 1 9 8519 1 1 47 GLN HG3 H -12.494 5.844 -0.801 1.00 . A A . 47 GLN HG3 1 1 9 8520 1 1 47 GLN N N -11.380 6.575 1.542 1.00 . A A . 47 GLN N 1 1 9 8521 1 1 47 GLN NE2 N -10.794 5.712 -3.660 1.00 . A A . 47 GLN NE2 1 1 9 8522 1 1 47 GLN O O -9.006 7.450 2.175 1.00 . A A . 47 GLN O 1 1 9 8523 1 1 47 GLN OE1 O -12.896 6.345 -3.180 1.00 . A A . 47 GLN OE1 1 1 9 8524 1 1 48 CYS C C -5.467 5.458 1.627 1.00 . A A . 48 CYS C 1 1 9 8525 1 1 48 CYS CA C -6.759 5.849 2.282 1.00 . A A . 48 CYS CA 1 1 9 8526 1 1 48 CYS CB C -6.937 4.857 3.460 1.00 . A A . 48 CYS CB 1 1 9 8527 1 1 48 CYS H H -7.760 4.992 0.688 1.00 . A A . 48 CYS H 1 1 9 8528 1 1 48 CYS HA H -6.619 6.852 2.636 1.00 . A A . 48 CYS HA 1 1 9 8529 1 1 48 CYS HB2 H -7.150 3.854 3.023 1.00 . A A . 48 CYS HB2 1 1 9 8530 1 1 48 CYS HB3 H -5.984 4.786 4.032 1.00 . A A . 48 CYS HB3 1 1 9 8531 1 1 48 CYS N N -7.841 5.759 1.317 1.00 . A A . 48 CYS N 1 1 9 8532 1 1 48 CYS O O -5.429 4.624 0.726 1.00 . A A . 48 CYS O 1 1 9 8533 1 1 48 CYS SG S -8.245 5.271 4.652 1.00 . A A . 48 CYS SG 1 1 9 8534 1 1 49 GLN C C -1.945 5.987 2.369 1.00 . A A . 49 GLN C 1 1 9 8535 1 1 49 GLN CA C -3.107 6.068 1.391 1.00 . A A . 49 GLN CA 1 1 9 8536 1 1 49 GLN CB C -2.935 7.326 0.514 1.00 . A A . 49 GLN CB 1 1 9 8537 1 1 49 GLN CD C -1.586 8.420 -1.410 1.00 . A A . 49 GLN CD 1 1 9 8538 1 1 49 GLN CG C -1.907 7.146 -0.627 1.00 . A A . 49 GLN CG 1 1 9 8539 1 1 49 GLN H H -4.454 6.832 2.757 1.00 . A A . 49 GLN H 1 1 9 8540 1 1 49 GLN HA H -3.084 5.177 0.786 1.00 . A A . 49 GLN HA 1 1 9 8541 1 1 49 GLN HB2 H -3.941 7.554 0.095 1.00 . A A . 49 GLN HB2 1 1 9 8542 1 1 49 GLN HB3 H -2.664 8.185 1.164 1.00 . A A . 49 GLN HB3 1 1 9 8543 1 1 49 GLN HE21 H -3.526 9.080 -1.375 1.00 . A A . 49 GLN HE21 1 1 9 8544 1 1 49 GLN HE22 H -2.375 10.099 -2.182 1.00 . A A . 49 GLN HE22 1 1 9 8545 1 1 49 GLN HG2 H -0.940 6.791 -0.210 1.00 . A A . 49 GLN HG2 1 1 9 8546 1 1 49 GLN HG3 H -2.284 6.390 -1.349 1.00 . A A . 49 GLN HG3 1 1 9 8547 1 1 49 GLN N N -4.383 6.139 2.039 1.00 . A A . 49 GLN N 1 1 9 8548 1 1 49 GLN NE2 N -2.603 9.251 -1.708 1.00 . A A . 49 GLN NE2 1 1 9 8549 1 1 49 GLN O O -1.839 6.744 3.335 1.00 . A A . 49 GLN O 1 1 9 8550 1 1 49 GLN OE1 O -0.433 8.666 -1.771 1.00 . A A . 49 GLN OE1 1 1 9 8551 1 1 50 CYS C C 1.335 5.760 2.243 1.00 . A A . 50 CYS C 1 1 9 8552 1 1 50 CYS CA C 0.241 4.906 2.828 1.00 . A A . 50 CYS CA 1 1 9 8553 1 1 50 CYS CB C 0.710 3.430 2.810 1.00 . A A . 50 CYS CB 1 1 9 8554 1 1 50 CYS H H -1.168 4.458 1.323 1.00 . A A . 50 CYS H 1 1 9 8555 1 1 50 CYS HA H 0.116 5.259 3.846 1.00 . A A . 50 CYS HA 1 1 9 8556 1 1 50 CYS HB2 H 0.659 3.028 1.777 1.00 . A A . 50 CYS HB2 1 1 9 8557 1 1 50 CYS HB3 H 1.771 3.358 3.127 1.00 . A A . 50 CYS HB3 1 1 9 8558 1 1 50 CYS N N -1.009 5.062 2.097 1.00 . A A . 50 CYS N 1 1 9 8559 1 1 50 CYS O O 2.134 5.311 1.426 1.00 . A A . 50 CYS O 1 1 9 8560 1 1 50 CYS SG S -0.305 2.453 3.937 1.00 . A A . 50 CYS SG 1 1 9 8561 1 1 51 TYR C C 3.810 7.697 2.410 1.00 . A A . 51 TYR C 1 1 9 8562 1 1 51 TYR CA C 2.329 8.051 2.284 1.00 . A A . 51 TYR CA 1 1 9 8563 1 1 51 TYR CB C 1.989 9.397 2.974 1.00 . A A . 51 TYR CB 1 1 9 8564 1 1 51 TYR CD1 C -0.270 9.970 1.972 1.00 . A A . 51 TYR CD1 1 1 9 8565 1 1 51 TYR CD2 C 1.672 11.157 1.158 1.00 . A A . 51 TYR CD2 1 1 9 8566 1 1 51 TYR CE1 C -1.055 10.638 1.026 1.00 . A A . 51 TYR CE1 1 1 9 8567 1 1 51 TYR CE2 C 0.876 11.840 0.232 1.00 . A A . 51 TYR CE2 1 1 9 8568 1 1 51 TYR CG C 1.113 10.214 2.049 1.00 . A A . 51 TYR CG 1 1 9 8569 1 1 51 TYR CZ C -0.493 11.578 0.164 1.00 . A A . 51 TYR CZ 1 1 9 8570 1 1 51 TYR H H 0.756 7.265 3.422 1.00 . A A . 51 TYR H 1 1 9 8571 1 1 51 TYR HA H 2.210 8.170 1.217 1.00 . A A . 51 TYR HA 1 1 9 8572 1 1 51 TYR HB2 H 1.466 9.237 3.939 1.00 . A A . 51 TYR HB2 1 1 9 8573 1 1 51 TYR HB3 H 2.903 9.976 3.202 1.00 . A A . 51 TYR HB3 1 1 9 8574 1 1 51 TYR HD1 H -0.759 9.246 2.606 1.00 . A A . 51 TYR HD1 1 1 9 8575 1 1 51 TYR HD2 H 2.727 11.380 1.132 1.00 . A A . 51 TYR HD2 1 1 9 8576 1 1 51 TYR HE1 H -2.093 10.383 0.925 1.00 . A A . 51 TYR HE1 1 1 9 8577 1 1 51 TYR HE2 H 1.367 12.528 -0.436 1.00 . A A . 51 TYR HE2 1 1 9 8578 1 1 51 TYR HH H -0.816 12.859 -1.285 1.00 . A A . 51 TYR HH 1 1 9 8579 1 1 51 TYR N N 1.367 7.031 2.663 1.00 . A A . 51 TYR N 1 1 9 8580 1 1 51 TYR O O 4.648 8.087 1.597 1.00 . A A . 51 TYR O 1 1 9 8581 1 1 51 TYR OH O -1.337 12.207 -0.770 1.00 . A A . 51 TYR OH 1 1 9 8582 1 1 52 ASP C C 6.194 5.518 3.127 1.00 . A A . 52 ASP C 1 1 9 8583 1 1 52 ASP CA C 5.577 6.734 3.817 1.00 . A A . 52 ASP CA 1 1 9 8584 1 1 52 ASP CB C 5.814 6.607 5.351 1.00 . A A . 52 ASP CB 1 1 9 8585 1 1 52 ASP CG C 7.304 6.749 5.656 1.00 . A A . 52 ASP CG 1 1 9 8586 1 1 52 ASP H H 3.438 6.617 4.040 1.00 . A A . 52 ASP H 1 1 9 8587 1 1 52 ASP HA H 6.142 7.594 3.472 1.00 . A A . 52 ASP HA 1 1 9 8588 1 1 52 ASP HB2 H 5.307 7.434 5.886 1.00 . A A . 52 ASP HB2 1 1 9 8589 1 1 52 ASP HB3 H 5.435 5.639 5.730 1.00 . A A . 52 ASP HB3 1 1 9 8590 1 1 52 ASP HD2 H 8.788 5.932 6.477 1.00 . A A . 52 ASP HD2 1 1 9 8591 1 1 52 ASP N N 4.178 6.972 3.478 1.00 . A A . 52 ASP N 1 1 9 8592 1 1 52 ASP O O 5.625 4.429 3.060 1.00 . A A . 52 ASP O 1 1 9 8593 1 1 52 ASP OD1 O 8.008 7.642 5.218 1.00 . A A . 52 ASP OD1 1 1 9 8594 1 1 52 ASP OD2 O 7.837 5.738 6.402 1.00 . A A . 52 ASP OD2 1 1 9 8595 1 1 53 THR C C 9.078 3.979 3.325 1.00 . A A . 53 THR C 1 1 9 8596 1 1 53 THR CA C 8.302 4.611 2.193 1.00 . A A . 53 THR CA 1 1 9 8597 1 1 53 THR CB C 9.236 4.955 1.035 1.00 . A A . 53 THR CB 1 1 9 8598 1 1 53 THR CG2 C 10.362 5.925 1.411 1.00 . A A . 53 THR CG2 1 1 9 8599 1 1 53 THR H H 7.819 6.615 2.668 1.00 . A A . 53 THR H 1 1 9 8600 1 1 53 THR HA H 7.652 3.843 1.802 1.00 . A A . 53 THR HA 1 1 9 8601 1 1 53 THR HB H 8.630 5.444 0.235 1.00 . A A . 53 THR HB 1 1 9 8602 1 1 53 THR HG1 H 9.175 3.179 0.190 1.00 . A A . 53 THR HG1 1 1 9 8603 1 1 53 THR HG21 H 10.933 6.171 0.490 1.00 . A A . 53 THR HG21 1 1 9 8604 1 1 53 THR HG22 H 11.060 5.456 2.137 1.00 . A A . 53 THR HG22 1 1 9 8605 1 1 53 THR HG23 H 9.973 6.870 1.838 1.00 . A A . 53 THR HG23 1 1 9 8606 1 1 53 THR N N 7.441 5.693 2.654 1.00 . A A . 53 THR N 1 1 9 8607 1 1 53 THR O O 9.740 4.631 4.126 1.00 . A A . 53 THR O 1 1 9 8608 1 1 53 THR OG1 O 9.868 3.791 0.509 1.00 . A A . 53 THR OG1 1 1 9 8609 1 1 54 HIS C C 9.997 0.510 3.701 1.00 . A A . 54 HIS C 1 1 9 8610 1 1 54 HIS CA C 9.790 1.865 4.335 1.00 . A A . 54 HIS CA 1 1 9 8611 1 1 54 HIS CB C 9.213 1.744 5.773 1.00 . A A . 54 HIS CB 1 1 9 8612 1 1 54 HIS CD2 C 11.362 0.560 6.676 1.00 . A A . 54 HIS CD2 1 1 9 8613 1 1 54 HIS CE1 C 10.605 0.171 8.688 1.00 . A A . 54 HIS CE1 1 1 9 8614 1 1 54 HIS CG C 10.095 1.031 6.754 1.00 . A A . 54 HIS CG 1 1 9 8615 1 1 54 HIS H H 8.525 2.180 2.689 1.00 . A A . 54 HIS H 1 1 9 8616 1 1 54 HIS HA H 10.771 2.317 4.360 1.00 . A A . 54 HIS HA 1 1 9 8617 1 1 54 HIS HB2 H 9.056 2.763 6.191 1.00 . A A . 54 HIS HB2 1 1 9 8618 1 1 54 HIS HB3 H 8.226 1.237 5.782 1.00 . A A . 54 HIS HB3 1 1 9 8619 1 1 54 HIS HD1 H 8.746 1.009 8.379 1.00 . A A . 54 HIS HD1 1 1 9 8620 1 1 54 HIS HD2 H 12.049 0.565 5.839 1.00 . A A . 54 HIS HD2 1 1 9 8621 1 1 54 HIS HE1 H 10.504 -0.148 9.700 1.00 . A A . 54 HIS HE1 1 1 9 8622 1 1 54 HIS HE2 H 12.530 -0.406 8.161 1.00 . A A . 54 HIS HE2 1 1 9 8623 1 1 54 HIS N N 8.955 2.653 3.451 1.00 . A A . 54 HIS N 1 1 9 8624 1 1 54 HIS ND1 N 9.648 0.781 8.017 1.00 . A A . 54 HIS ND1 1 1 9 8625 1 1 54 HIS NE2 N 11.663 0.022 7.900 1.00 . A A . 54 HIS NE2 1 1 9 8626 1 1 54 HIS O O 11.101 0.081 3.384 1.00 . A A . 54 HIS O 1 1 9 8627 1 1 55 LYS C C 8.794 -1.783 1.590 1.00 . A A . 55 LYS C 1 1 9 8628 1 1 55 LYS CA C 8.710 -1.538 3.094 1.00 . A A . 55 LYS CA 1 1 9 8629 1 1 55 LYS CB C 7.341 -1.986 3.667 1.00 . A A . 55 LYS CB 1 1 9 8630 1 1 55 LYS CD C 5.754 0.073 3.497 1.00 . A A . 55 LYS CD 1 1 9 8631 1 1 55 LYS CE C 4.300 0.498 3.259 1.00 . A A . 55 LYS CE 1 1 9 8632 1 1 55 LYS CG C 6.065 -1.365 3.046 1.00 . A A . 55 LYS CG 1 1 9 8633 1 1 55 LYS H H 7.994 0.135 3.874 1.00 . A A . 55 LYS H 1 1 9 8634 1 1 55 LYS HA H 9.501 -2.112 3.550 1.00 . A A . 55 LYS HA 1 1 9 8635 1 1 55 LYS HB2 H 7.274 -3.088 3.650 1.00 . A A . 55 LYS HB2 1 1 9 8636 1 1 55 LYS HB3 H 7.345 -1.738 4.749 1.00 . A A . 55 LYS HB3 1 1 9 8637 1 1 55 LYS HD2 H 5.961 0.135 4.591 1.00 . A A . 55 LYS HD2 1 1 9 8638 1 1 55 LYS HD3 H 6.423 0.782 2.964 1.00 . A A . 55 LYS HD3 1 1 9 8639 1 1 55 LYS HE2 H 4.074 0.543 2.174 1.00 . A A . 55 LYS HE2 1 1 9 8640 1 1 55 LYS HE3 H 3.606 -0.214 3.756 1.00 . A A . 55 LYS HE3 1 1 9 8641 1 1 55 LYS HG2 H 6.097 -1.431 1.937 1.00 . A A . 55 LYS HG2 1 1 9 8642 1 1 55 LYS HG3 H 5.210 -1.990 3.387 1.00 . A A . 55 LYS HG3 1 1 9 8643 1 1 55 LYS HZ1 H 4.677 2.542 3.382 1.00 . A A . 55 LYS HZ1 1 1 9 8644 1 1 55 LYS HZ2 H 4.272 1.812 4.859 1.00 . A A . 55 LYS HZ2 1 1 9 8645 1 1 55 LYS HZ3 H 3.065 2.115 3.702 1.00 . A A . 55 LYS HZ3 1 1 9 8646 1 1 55 LYS N N 8.867 -0.190 3.539 1.00 . A A . 55 LYS N 1 1 9 8647 1 1 55 LYS NZ N 4.058 1.840 3.840 1.00 . A A . 55 LYS NZ 1 1 9 8648 1 1 55 LYS O O 9.237 -0.937 0.817 1.00 . A A . 55 LYS O 1 1 9 8649 1 1 56 PHE C C 7.048 -3.811 -0.722 1.00 . A A . 56 PHE C 1 1 9 8650 1 1 56 PHE CA C 8.448 -3.492 -0.200 1.00 . A A . 56 PHE CA 1 1 9 8651 1 1 56 PHE CB C 9.436 -4.695 -0.292 1.00 . A A . 56 PHE CB 1 1 9 8652 1 1 56 PHE CD1 C 9.439 -5.708 2.039 1.00 . A A . 56 PHE CD1 1 1 9 8653 1 1 56 PHE CD2 C 8.441 -6.965 0.228 1.00 . A A . 56 PHE CD2 1 1 9 8654 1 1 56 PHE CE1 C 9.093 -6.721 2.937 1.00 . A A . 56 PHE CE1 1 1 9 8655 1 1 56 PHE CE2 C 8.109 -7.988 1.124 1.00 . A A . 56 PHE CE2 1 1 9 8656 1 1 56 PHE CG C 9.102 -5.807 0.675 1.00 . A A . 56 PHE CG 1 1 9 8657 1 1 56 PHE CZ C 8.426 -7.860 2.478 1.00 . A A . 56 PHE CZ 1 1 9 8658 1 1 56 PHE H H 7.994 -3.641 1.797 1.00 . A A . 56 PHE H 1 1 9 8659 1 1 56 PHE HA H 8.818 -2.721 -0.850 1.00 . A A . 56 PHE HA 1 1 9 8660 1 1 56 PHE HB2 H 9.482 -5.109 -1.320 1.00 . A A . 56 PHE HB2 1 1 9 8661 1 1 56 PHE HB3 H 10.459 -4.337 -0.041 1.00 . A A . 56 PHE HB3 1 1 9 8662 1 1 56 PHE HD1 H 9.948 -4.834 2.416 1.00 . A A . 56 PHE HD1 1 1 9 8663 1 1 56 PHE HD2 H 8.171 -7.076 -0.811 1.00 . A A . 56 PHE HD2 1 1 9 8664 1 1 56 PHE HE1 H 9.330 -6.622 3.984 1.00 . A A . 56 PHE HE1 1 1 9 8665 1 1 56 PHE HE2 H 7.598 -8.870 0.772 1.00 . A A . 56 PHE HE2 1 1 9 8666 1 1 56 PHE HZ H 8.153 -8.639 3.174 1.00 . A A . 56 PHE HZ 1 1 9 8667 1 1 56 PHE N N 8.381 -2.988 1.156 1.00 . A A . 56 PHE N 1 1 9 8668 1 1 56 PHE O O 6.040 -3.534 -0.070 1.00 . A A . 56 PHE O 1 1 9 8669 1 1 57 CYS C C 5.140 -6.066 -1.878 1.00 . A A . 57 CYS C 1 1 9 8670 1 1 57 CYS CA C 5.622 -4.758 -2.459 1.00 . A A . 57 CYS CA 1 1 9 8671 1 1 57 CYS CB C 5.609 -4.862 -4.002 1.00 . A A . 57 CYS CB 1 1 9 8672 1 1 57 CYS H H 7.703 -4.646 -2.502 1.00 . A A . 57 CYS H 1 1 9 8673 1 1 57 CYS HA H 4.896 -4.014 -2.165 1.00 . A A . 57 CYS HA 1 1 9 8674 1 1 57 CYS HB2 H 6.392 -5.584 -4.311 1.00 . A A . 57 CYS HB2 1 1 9 8675 1 1 57 CYS HB3 H 4.630 -5.257 -4.338 1.00 . A A . 57 CYS HB3 1 1 9 8676 1 1 57 CYS N N 6.922 -4.392 -1.935 1.00 . A A . 57 CYS N 1 1 9 8677 1 1 57 CYS O O 5.737 -7.125 -2.042 1.00 . A A . 57 CYS O 1 1 9 8678 1 1 57 CYS SG S 5.885 -3.267 -4.819 1.00 . A A . 57 CYS SG 1 1 9 8679 1 1 58 TYR C C 2.454 -7.862 -1.560 1.00 . A A . 58 TYR C 1 1 9 8680 1 1 58 TYR CA C 3.386 -7.176 -0.587 1.00 . A A . 58 TYR CA 1 1 9 8681 1 1 58 TYR CB C 2.594 -6.799 0.685 1.00 . A A . 58 TYR CB 1 1 9 8682 1 1 58 TYR CD1 C 3.993 -7.669 2.606 1.00 . A A . 58 TYR CD1 1 1 9 8683 1 1 58 TYR CD2 C 4.067 -5.309 2.089 1.00 . A A . 58 TYR CD2 1 1 9 8684 1 1 58 TYR CE1 C 4.927 -7.477 3.635 1.00 . A A . 58 TYR CE1 1 1 9 8685 1 1 58 TYR CE2 C 5.012 -5.127 3.099 1.00 . A A . 58 TYR CE2 1 1 9 8686 1 1 58 TYR CG C 3.552 -6.585 1.819 1.00 . A A . 58 TYR CG 1 1 9 8687 1 1 58 TYR CZ C 5.445 -6.201 3.875 1.00 . A A . 58 TYR CZ 1 1 9 8688 1 1 58 TYR H H 3.577 -5.127 -1.039 1.00 . A A . 58 TYR H 1 1 9 8689 1 1 58 TYR HA H 4.136 -7.916 -0.324 1.00 . A A . 58 TYR HA 1 1 9 8690 1 1 58 TYR HB2 H 2.002 -5.882 0.516 1.00 . A A . 58 TYR HB2 1 1 9 8691 1 1 58 TYR HB3 H 1.888 -7.595 0.988 1.00 . A A . 58 TYR HB3 1 1 9 8692 1 1 58 TYR HD1 H 3.640 -8.672 2.432 1.00 . A A . 58 TYR HD1 1 1 9 8693 1 1 58 TYR HD2 H 3.773 -4.445 1.519 1.00 . A A . 58 TYR HD2 1 1 9 8694 1 1 58 TYR HE1 H 5.237 -8.337 4.204 1.00 . A A . 58 TYR HE1 1 1 9 8695 1 1 58 TYR HE2 H 5.395 -4.143 3.266 1.00 . A A . 58 TYR HE2 1 1 9 8696 1 1 58 TYR HH H 6.457 -6.721 5.458 1.00 . A A . 58 TYR HH 1 1 9 8697 1 1 58 TYR N N 4.008 -6.009 -1.177 1.00 . A A . 58 TYR N 1 1 9 8698 1 1 58 TYR O O 2.115 -7.348 -2.624 1.00 . A A . 58 TYR O 1 1 9 8699 1 1 58 TYR OH O 6.397 -5.947 4.878 1.00 . A A . 58 TYR OH 1 1 9 8700 1 1 59 LYS C C -0.316 -9.089 -2.018 1.00 . A A . 59 LYS C 1 1 9 8701 1 1 59 LYS CA C 0.980 -9.857 -1.785 1.00 . A A . 59 LYS CA 1 1 9 8702 1 1 59 LYS CB C 0.701 -11.101 -0.923 1.00 . A A . 59 LYS CB 1 1 9 8703 1 1 59 LYS CD C 1.939 -12.832 0.518 1.00 . A A . 59 LYS CD 1 1 9 8704 1 1 59 LYS CE C 3.264 -13.582 0.703 1.00 . A A . 59 LYS CE 1 1 9 8705 1 1 59 LYS CG C 1.900 -12.061 -0.810 1.00 . A A . 59 LYS CG 1 1 9 8706 1 1 59 LYS H H 2.377 -9.444 -0.326 1.00 . A A . 59 LYS H 1 1 9 8707 1 1 59 LYS HA H 1.331 -10.182 -2.755 1.00 . A A . 59 LYS HA 1 1 9 8708 1 1 59 LYS HB2 H 0.420 -10.748 0.094 1.00 . A A . 59 LYS HB2 1 1 9 8709 1 1 59 LYS HB3 H -0.168 -11.657 -1.347 1.00 . A A . 59 LYS HB3 1 1 9 8710 1 1 59 LYS HD2 H 1.825 -12.108 1.356 1.00 . A A . 59 LYS HD2 1 1 9 8711 1 1 59 LYS HD3 H 1.087 -13.546 0.566 1.00 . A A . 59 LYS HD3 1 1 9 8712 1 1 59 LYS HE2 H 3.350 -14.416 -0.026 1.00 . A A . 59 LYS HE2 1 1 9 8713 1 1 59 LYS HE3 H 4.118 -12.886 0.562 1.00 . A A . 59 LYS HE3 1 1 9 8714 1 1 59 LYS HG2 H 1.882 -12.780 -1.658 1.00 . A A . 59 LYS HG2 1 1 9 8715 1 1 59 LYS HG3 H 2.859 -11.509 -0.896 1.00 . A A . 59 LYS HG3 1 1 9 8716 1 1 59 LYS HZ1 H 2.604 -14.835 2.215 1.00 . A A . 59 LYS HZ1 1 1 9 8717 1 1 59 LYS HZ2 H 3.299 -13.386 2.768 1.00 . A A . 59 LYS HZ2 1 1 9 8718 1 1 59 LYS HZ3 H 4.291 -14.624 2.171 1.00 . A A . 59 LYS HZ3 1 1 9 8719 1 1 59 LYS N N 2.032 -9.074 -1.179 1.00 . A A . 59 LYS N 1 1 9 8720 1 1 59 LYS NZ N 3.371 -14.147 2.065 1.00 . A A . 59 LYS NZ 1 1 9 8721 1 1 59 LYS O O -0.705 -8.200 -1.253 1.00 . A A . 59 LYS O 1 1 9 8722 1 1 60 ALA C C -3.418 -9.217 -2.537 1.00 . A A . 60 ALA C 1 1 9 8723 1 1 60 ALA CA C -2.276 -8.809 -3.447 1.00 . A A . 60 ALA CA 1 1 9 8724 1 1 60 ALA CB C -2.609 -9.126 -4.907 1.00 . A A . 60 ALA CB 1 1 9 8725 1 1 60 ALA H H -0.674 -10.109 -3.742 1.00 . A A . 60 ALA H 1 1 9 8726 1 1 60 ALA HA H -2.166 -7.740 -3.337 1.00 . A A . 60 ALA HA 1 1 9 8727 1 1 60 ALA HB1 H -3.551 -8.634 -5.224 1.00 . A A . 60 ALA HB1 1 1 9 8728 1 1 60 ALA HB2 H -2.698 -10.222 -5.043 1.00 . A A . 60 ALA HB2 1 1 9 8729 1 1 60 ALA HB3 H -1.790 -8.764 -5.564 1.00 . A A . 60 ALA HB3 1 1 9 8730 1 1 60 ALA N N -1.025 -9.429 -3.099 1.00 . A A . 60 ALA N 1 1 9 8731 1 1 60 ALA O O -3.577 -10.375 -2.160 1.00 . A A . 60 ALA O 1 1 9 8732 1 1 61 CYS C C -6.573 -8.690 -1.553 1.00 . A A . 61 CYS C 1 1 9 8733 1 1 61 CYS CA C -5.189 -8.314 -1.072 1.00 . A A . 61 CYS CA 1 1 9 8734 1 1 61 CYS CB C -5.261 -6.981 -0.283 1.00 . A A . 61 CYS CB 1 1 9 8735 1 1 61 CYS H H -4.171 -7.370 -2.646 1.00 . A A . 61 CYS H 1 1 9 8736 1 1 61 CYS HA H -4.849 -9.092 -0.409 1.00 . A A . 61 CYS HA 1 1 9 8737 1 1 61 CYS HB2 H -4.317 -6.426 -0.479 1.00 . A A . 61 CYS HB2 1 1 9 8738 1 1 61 CYS HB3 H -6.076 -6.328 -0.659 1.00 . A A . 61 CYS HB3 1 1 9 8739 1 1 61 CYS N N -4.235 -8.232 -2.154 1.00 . A A . 61 CYS N 1 1 9 8740 1 1 61 CYS O O -7.325 -7.887 -2.098 1.00 . A A . 61 CYS O 1 1 9 8741 1 1 61 CYS SG S -5.410 -7.246 1.512 1.00 . A A . 61 CYS SG 1 1 9 8742 1 1 62 HIS C C -8.957 -11.084 -0.591 1.00 . A A . 62 HIS C 1 1 9 8743 1 1 62 HIS CA C -8.265 -10.434 -1.764 1.00 . A A . 62 HIS CA 1 1 9 8744 1 1 62 HIS CB C -8.140 -11.380 -2.960 1.00 . A A . 62 HIS CB 1 1 9 8745 1 1 62 HIS CD2 C -6.513 -10.099 -4.524 1.00 . A A . 62 HIS CD2 1 1 9 8746 1 1 62 HIS CE1 C -8.040 -8.990 -5.628 1.00 . A A . 62 HIS CE1 1 1 9 8747 1 1 62 HIS CG C -7.730 -10.563 -4.149 1.00 . A A . 62 HIS CG 1 1 9 8748 1 1 62 HIS H H -6.305 -10.618 -0.984 1.00 . A A . 62 HIS H 1 1 9 8749 1 1 62 HIS HA H -8.894 -9.608 -2.069 1.00 . A A . 62 HIS HA 1 1 9 8750 1 1 62 HIS HB2 H -7.375 -12.148 -2.746 1.00 . A A . 62 HIS HB2 1 1 9 8751 1 1 62 HIS HB3 H -9.094 -11.897 -3.177 1.00 . A A . 62 HIS HB3 1 1 9 8752 1 1 62 HIS HD1 H -9.656 -9.888 -4.705 1.00 . A A . 62 HIS HD1 1 1 9 8753 1 1 62 HIS HD2 H -5.528 -10.366 -4.160 1.00 . A A . 62 HIS HD2 1 1 9 8754 1 1 62 HIS HE1 H -8.538 -8.296 -6.271 1.00 . A A . 62 HIS HE1 1 1 9 8755 1 1 62 HIS HE2 H -6.025 -8.551 -5.887 1.00 . A A . 62 HIS HE2 1 1 9 8756 1 1 62 HIS N N -6.953 -9.957 -1.383 1.00 . A A . 62 HIS N 1 1 9 8757 1 1 62 HIS ND1 N -8.665 -9.853 -4.847 1.00 . A A . 62 HIS ND1 1 1 9 8758 1 1 62 HIS NE2 N -6.730 -9.114 -5.450 1.00 . A A . 62 HIS NE2 1 1 9 8759 1 1 62 HIS O O -8.375 -11.875 0.144 1.00 . A A . 62 HIS O 1 1 9 8760 1 1 63 ASN C C -12.389 -10.510 0.576 1.00 . A A . 63 ASN C 1 1 9 8761 1 1 63 ASN CA C -10.998 -11.076 0.792 1.00 . A A . 63 ASN CA 1 1 9 8762 1 1 63 ASN CB C -10.359 -10.631 2.146 1.00 . A A . 63 ASN CB 1 1 9 8763 1 1 63 ASN CG C -9.735 -9.234 2.152 1.00 . A A . 63 ASN CG 1 1 9 8764 1 1 63 ASN H H -10.703 -10.071 -0.940 1.00 . A A . 63 ASN H 1 1 9 8765 1 1 63 ASN HA H -11.111 -12.142 0.789 1.00 . A A . 63 ASN HA 1 1 9 8766 1 1 63 ASN HB2 H -11.149 -10.641 2.922 1.00 . A A . 63 ASN HB2 1 1 9 8767 1 1 63 ASN HB3 H -9.603 -11.384 2.438 1.00 . A A . 63 ASN HB3 1 1 9 8768 1 1 63 ASN HD21 H -7.787 -9.840 1.785 1.00 . A A . 63 ASN HD21 1 1 9 8769 1 1 63 ASN HD22 H -8.047 -8.157 1.962 1.00 . A A . 63 ASN HD22 1 1 9 8770 1 1 63 ASN N N -10.227 -10.712 -0.361 1.00 . A A . 63 ASN N 1 1 9 8771 1 1 63 ASN ND2 N -8.422 -9.074 1.897 1.00 . A A . 63 ASN ND2 1 1 9 8772 1 1 63 ASN O O -13.299 -11.200 0.133 1.00 . A A . 63 ASN O 1 1 9 8773 1 1 63 ASN OD1 O -10.441 -8.262 2.422 1.00 . A A . 63 ASN OD1 1 1 9 8774 1 1 64 SER C C -13.868 -8.044 -0.937 1.00 . A A . 64 SER C 1 1 9 8775 1 1 64 SER CA C -13.798 -8.477 0.520 1.00 . A A . 64 SER CA 1 1 9 8776 1 1 64 SER CB C -13.962 -7.254 1.463 1.00 . A A . 64 SER CB 1 1 9 8777 1 1 64 SER H H -11.785 -8.710 1.197 1.00 . A A . 64 SER H 1 1 9 8778 1 1 64 SER HA H -14.645 -9.129 0.695 1.00 . A A . 64 SER HA 1 1 9 8779 1 1 64 SER HB2 H -13.738 -7.602 2.495 1.00 . A A . 64 SER HB2 1 1 9 8780 1 1 64 SER HB3 H -13.217 -6.470 1.205 1.00 . A A . 64 SER HB3 1 1 9 8781 1 1 64 SER HG H -15.367 -6.101 2.175 1.00 . A A . 64 SER HG 1 1 9 8782 1 1 64 SER N N -12.562 -9.205 0.801 1.00 . A A . 64 SER N 1 1 9 8783 1 1 64 SER O O -13.633 -6.893 -1.293 1.00 . A A . 64 SER O 1 1 9 8784 1 1 64 SER OG O -15.290 -6.723 1.438 1.00 . A A . 64 SER OG 1 1 9 8785 1 1 65 GLU C C -15.688 -7.901 -3.434 1.00 . A A . 65 GLU C 1 1 9 8786 1 1 65 GLU CA C -14.491 -8.817 -3.238 1.00 . A A . 65 GLU CA 1 1 9 8787 1 1 65 GLU CB C -14.760 -10.155 -3.978 1.00 . A A . 65 GLU CB 1 1 9 8788 1 1 65 GLU CD C -12.297 -10.953 -4.173 1.00 . A A . 65 GLU CD 1 1 9 8789 1 1 65 GLU CG C -13.726 -11.302 -3.801 1.00 . A A . 65 GLU CG 1 1 9 8790 1 1 65 GLU H H -14.379 -9.913 -1.460 1.00 . A A . 65 GLU H 1 1 9 8791 1 1 65 GLU HA H -13.656 -8.318 -3.698 1.00 . A A . 65 GLU HA 1 1 9 8792 1 1 65 GLU HB2 H -15.741 -10.567 -3.648 1.00 . A A . 65 GLU HB2 1 1 9 8793 1 1 65 GLU HB3 H -14.853 -9.936 -5.066 1.00 . A A . 65 GLU HB3 1 1 9 8794 1 1 65 GLU HE2 H -11.918 -12.781 -3.611 1.00 . A A . 65 GLU HE2 1 1 9 8795 1 1 65 GLU HG2 H -13.731 -11.697 -2.766 1.00 . A A . 65 GLU HG2 1 1 9 8796 1 1 65 GLU HG3 H -14.038 -12.149 -4.455 1.00 . A A . 65 GLU HG3 1 1 9 8797 1 1 65 GLU N N -14.154 -9.012 -1.834 1.00 . A A . 65 GLU N 1 1 9 8798 1 1 65 GLU O O -15.737 -7.023 -4.297 1.00 . A A . 65 GLU O 1 1 9 8799 1 1 65 GLU OE1 O -11.886 -9.900 -4.639 1.00 . A A . 65 GLU OE1 1 1 9 8800 1 1 65 GLU OE2 O -11.440 -11.995 -3.937 1.00 . A A . 65 GLU OE2 1 1 9 8801 1 1 66 ILE C C -18.406 -7.725 -1.061 1.00 . A A . 66 ILE C 1 1 9 8802 1 1 66 ILE CA C -17.954 -7.461 -2.473 1.00 . A A . 66 ILE CA 1 1 9 8803 1 1 66 ILE CB C -19.060 -7.960 -3.412 1.00 . A A . 66 ILE CB 1 1 9 8804 1 1 66 ILE CD1 C -20.563 -9.922 -4.110 1.00 . A A . 66 ILE CD1 1 1 9 8805 1 1 66 ILE CG1 C -19.305 -9.488 -3.345 1.00 . A A . 66 ILE CG1 1 1 9 8806 1 1 66 ILE CG2 C -18.733 -7.524 -4.846 1.00 . A A . 66 ILE CG2 1 1 9 8807 1 1 66 ILE H H -16.568 -8.844 -1.890 1.00 . A A . 66 ILE H 1 1 9 8808 1 1 66 ILE HA H -17.796 -6.400 -2.586 1.00 . A A . 66 ILE HA 1 1 9 8809 1 1 66 ILE HB H -20.008 -7.454 -3.126 1.00 . A A . 66 ILE HB 1 1 9 8810 1 1 66 ILE HD11 H -20.458 -9.731 -5.198 1.00 . A A . 66 ILE HD11 1 1 9 8811 1 1 66 ILE HD12 H -21.450 -9.363 -3.743 1.00 . A A . 66 ILE HD12 1 1 9 8812 1 1 66 ILE HD13 H -20.749 -11.008 -3.965 1.00 . A A . 66 ILE HD13 1 1 9 8813 1 1 66 ILE HG12 H -18.419 -10.021 -3.757 1.00 . A A . 66 ILE HG12 1 1 9 8814 1 1 66 ILE HG13 H -19.417 -9.805 -2.284 1.00 . A A . 66 ILE HG13 1 1 9 8815 1 1 66 ILE HG21 H -17.878 -8.117 -5.236 1.00 . A A . 66 ILE HG21 1 1 9 8816 1 1 66 ILE HG22 H -18.468 -6.448 -4.881 1.00 . A A . 66 ILE HG22 1 1 9 8817 1 1 66 ILE HG23 H -19.597 -7.701 -5.519 1.00 . A A . 66 ILE HG23 1 1 9 8818 1 1 66 ILE N N -16.690 -8.135 -2.578 1.00 . A A . 66 ILE N 1 1 9 8819 1 1 66 ILE O O -17.879 -8.596 -0.369 1.00 . A A . 66 ILE O 1 1 9 8820 1 1 67 GLU C C -21.455 -7.446 0.527 1.00 . A A . 67 GLU C 1 1 9 8821 1 1 67 GLU CA C -19.972 -7.075 0.724 1.00 . A A . 67 GLU CA 1 1 9 8822 1 1 67 GLU CB C -19.827 -5.796 1.603 1.00 . A A . 67 GLU CB 1 1 9 8823 1 1 67 GLU CD C -19.451 -3.913 -0.099 1.00 . A A . 67 GLU CD 1 1 9 8824 1 1 67 GLU CG C -20.351 -4.463 1.006 1.00 . A A . 67 GLU CG 1 1 9 8825 1 1 67 GLU H H -19.798 -6.215 -1.133 1.00 . A A . 67 GLU H 1 1 9 8826 1 1 67 GLU HA H -19.516 -7.901 1.255 1.00 . A A . 67 GLU HA 1 1 9 8827 1 1 67 GLU HB2 H -20.380 -5.986 2.552 1.00 . A A . 67 GLU HB2 1 1 9 8828 1 1 67 GLU HB3 H -18.753 -5.680 1.868 1.00 . A A . 67 GLU HB3 1 1 9 8829 1 1 67 GLU HE2 H -17.929 -2.796 -0.370 1.00 . A A . 67 GLU HE2 1 1 9 8830 1 1 67 GLU HG2 H -21.370 -4.606 0.591 1.00 . A A . 67 GLU HG2 1 1 9 8831 1 1 67 GLU HG3 H -20.413 -3.704 1.815 1.00 . A A . 67 GLU HG3 1 1 9 8832 1 1 67 GLU N N -19.377 -6.936 -0.581 1.00 . A A . 67 GLU N 1 1 9 8833 1 1 67 GLU O O -22.151 -6.772 -0.279 1.00 . A A . 67 GLU O 1 1 9 8834 1 1 67 GLU OXT O -21.894 -8.431 1.179 1.00 . A A . 67 GLU OXT 1 1 9 8835 1 1 67 GLU OE1 O -19.530 -4.149 -1.291 1.00 . A A . 67 GLU OE1 1 1 9 8836 1 1 67 GLU OE2 O -18.462 -3.075 0.373 1.00 . A A . 67 GLU OE2 1 1 9 8837 2 2 1 CL CL CL -3.686 -12.235 3.890 1.00 . B A . 68 CL CL 1 1 9 8838 3 2 1 CL CL CL 4.148 -6.005 8.378 1.00 . C A . 69 CL CL 1 1 9 8839 4 2 1 CL CL CL -6.553 2.734 8.612 1.00 . D A . 70 CL CL 1 1 9 8840 5 2 1 CL CL CL -8.224 -10.681 6.407 1.00 . E A . 71 CL CL 1 1 9 8841 6 2 1 CL CL CL 1.903 10.350 12.385 1.00 . F A . 72 CL CL 1 1 9 8842 7 2 1 CL CL CL 9.370 -6.344 -4.296 1.00 . G A . 73 CL CL 1 1 9 8843 8 2 1 CL CL CL -8.170 -4.440 -6.264 1.00 . H A . 74 CL CL 1 1 9 8844 9 2 1 CL CL CL 11.953 5.482 -9.714 1.00 . I A . 75 CL CL 1 1 9 8845 10 2 1 CL CL CL 9.667 -2.583 6.667 1.00 . J A . 76 CL CL 1 1 9 8846 11 2 1 CL CL CL 4.263 12.455 3.659 1.00 . K A . 77 CL CL 1 1 9 8847 12 2 1 CL CL CL 0.275 -13.170 15.916 1.00 . L A . 78 CL CL 1 1 10 8848 1 1 1 GLY C C -7.551 -12.883 10.986 1.00 . A A . 1 GLY C 1 1 10 8849 1 1 1 GLY CA C -6.984 -14.212 11.354 1.00 . A A . 1 GLY CA 1 1 10 8850 1 1 1 GLY H1 H -7.994 -15.436 10.019 1.00 . A A . 1 GLY H1 1 1 10 8851 1 1 1 GLY H2 H -6.465 -16.022 10.486 1.00 . A A . 1 GLY H2 1 1 10 8852 1 1 1 GLY H3 H -6.584 -14.730 9.386 1.00 . A A . 1 GLY H3 1 1 10 8853 1 1 1 GLY HA2 H -7.593 -14.641 12.135 1.00 . A A . 1 GLY HA2 1 1 10 8854 1 1 1 GLY HA3 H -5.952 -14.070 11.627 1.00 . A A . 1 GLY HA3 1 1 10 8855 1 1 1 GLY N N -7.009 -15.173 10.226 1.00 . A A . 1 GLY N 1 1 10 8856 1 1 1 GLY O O -7.919 -12.622 9.845 1.00 . A A . 1 GLY O 1 1 10 8857 1 1 2 ASP C C -7.548 -9.751 12.873 1.00 . A A . 2 ASP C 1 1 10 8858 1 1 2 ASP CA C -8.180 -10.636 11.810 1.00 . A A . 2 ASP CA 1 1 10 8859 1 1 2 ASP CB C -9.711 -10.650 12.079 1.00 . A A . 2 ASP CB 1 1 10 8860 1 1 2 ASP CG C -10.436 -11.573 11.122 1.00 . A A . 2 ASP CG 1 1 10 8861 1 1 2 ASP H H -7.350 -12.236 12.896 1.00 . A A . 2 ASP H 1 1 10 8862 1 1 2 ASP HA H -7.927 -10.223 10.842 1.00 . A A . 2 ASP HA 1 1 10 8863 1 1 2 ASP HB2 H -9.918 -11.008 13.110 1.00 . A A . 2 ASP HB2 1 1 10 8864 1 1 2 ASP HB3 H -10.130 -9.631 11.976 1.00 . A A . 2 ASP HB3 1 1 10 8865 1 1 2 ASP HD2 H -10.828 -11.777 9.267 1.00 . A A . 2 ASP HD2 1 1 10 8866 1 1 2 ASP N N -7.584 -11.957 11.962 1.00 . A A . 2 ASP N 1 1 10 8867 1 1 2 ASP O O -8.094 -8.756 13.350 1.00 . A A . 2 ASP O 1 1 10 8868 1 1 2 ASP OD1 O -10.877 -12.674 11.399 1.00 . A A . 2 ASP OD1 1 1 10 8869 1 1 2 ASP OD2 O -10.552 -11.060 9.860 1.00 . A A . 2 ASP OD2 1 1 10 8870 1 1 3 ASP C C -4.072 -9.880 13.814 1.00 . A A . 3 ASP C 1 1 10 8871 1 1 3 ASP CA C -5.483 -9.610 14.273 1.00 . A A . 3 ASP CA 1 1 10 8872 1 1 3 ASP CB C -5.803 -10.221 15.662 1.00 . A A . 3 ASP CB 1 1 10 8873 1 1 3 ASP CG C -5.758 -11.750 15.767 1.00 . A A . 3 ASP CG 1 1 10 8874 1 1 3 ASP H H -5.933 -10.913 12.748 1.00 . A A . 3 ASP H 1 1 10 8875 1 1 3 ASP HA H -5.590 -8.536 14.316 1.00 . A A . 3 ASP HA 1 1 10 8876 1 1 3 ASP HB2 H -5.094 -9.805 16.403 1.00 . A A . 3 ASP HB2 1 1 10 8877 1 1 3 ASP HB3 H -6.825 -9.900 15.942 1.00 . A A . 3 ASP HB3 1 1 10 8878 1 1 3 ASP HD2 H -6.712 -13.328 15.172 1.00 . A A . 3 ASP HD2 1 1 10 8879 1 1 3 ASP N N -6.320 -10.137 13.231 1.00 . A A . 3 ASP N 1 1 10 8880 1 1 3 ASP O O -3.297 -10.603 14.431 1.00 . A A . 3 ASP O 1 1 10 8881 1 1 3 ASP OD1 O -5.026 -12.407 16.484 1.00 . A A . 3 ASP OD1 1 1 10 8882 1 1 3 ASP OD2 O -6.709 -12.377 14.989 1.00 . A A . 3 ASP OD2 1 1 10 8883 1 1 4 VAL C C -2.021 -8.100 11.536 1.00 . A A . 4 VAL C 1 1 10 8884 1 1 4 VAL CA C -2.468 -9.467 12.002 1.00 . A A . 4 VAL CA 1 1 10 8885 1 1 4 VAL CB C -2.518 -10.514 10.896 1.00 . A A . 4 VAL CB 1 1 10 8886 1 1 4 VAL CG1 C -3.348 -10.070 9.673 1.00 . A A . 4 VAL CG1 1 1 10 8887 1 1 4 VAL CG2 C -1.102 -10.961 10.494 1.00 . A A . 4 VAL CG2 1 1 10 8888 1 1 4 VAL H H -4.400 -8.742 12.180 1.00 . A A . 4 VAL H 1 1 10 8889 1 1 4 VAL HA H -1.746 -9.792 12.733 1.00 . A A . 4 VAL HA 1 1 10 8890 1 1 4 VAL HB H -3.025 -11.397 11.354 1.00 . A A . 4 VAL HB 1 1 10 8891 1 1 4 VAL HG11 H -3.398 -10.900 8.933 1.00 . A A . 4 VAL HG11 1 1 10 8892 1 1 4 VAL HG12 H -2.890 -9.195 9.166 1.00 . A A . 4 VAL HG12 1 1 10 8893 1 1 4 VAL HG13 H -4.388 -9.810 9.959 1.00 . A A . 4 VAL HG13 1 1 10 8894 1 1 4 VAL HG21 H -0.551 -11.356 11.373 1.00 . A A . 4 VAL HG21 1 1 10 8895 1 1 4 VAL HG22 H -0.517 -10.133 10.052 1.00 . A A . 4 VAL HG22 1 1 10 8896 1 1 4 VAL HG23 H -1.165 -11.776 9.739 1.00 . A A . 4 VAL HG23 1 1 10 8897 1 1 4 VAL N N -3.751 -9.328 12.640 1.00 . A A . 4 VAL N 1 1 10 8898 1 1 4 VAL O O -2.812 -7.272 11.083 1.00 . A A . 4 VAL O 1 1 10 8899 1 1 5 LYS C C 0.231 -6.288 9.981 1.00 . A A . 5 LYS C 1 1 10 8900 1 1 5 LYS CA C -0.151 -6.498 11.441 1.00 . A A . 5 LYS CA 1 1 10 8901 1 1 5 LYS CB C 1.055 -6.314 12.396 1.00 . A A . 5 LYS CB 1 1 10 8902 1 1 5 LYS CD C -0.081 -5.141 14.423 1.00 . A A . 5 LYS CD 1 1 10 8903 1 1 5 LYS CE C 0.848 -4.011 14.874 1.00 . A A . 5 LYS CE 1 1 10 8904 1 1 5 LYS CG C 0.668 -6.375 13.892 1.00 . A A . 5 LYS CG 1 1 10 8905 1 1 5 LYS H H -0.111 -8.495 12.083 1.00 . A A . 5 LYS H 1 1 10 8906 1 1 5 LYS HA H -0.907 -5.765 11.663 1.00 . A A . 5 LYS HA 1 1 10 8907 1 1 5 LYS HB2 H 1.782 -7.129 12.192 1.00 . A A . 5 LYS HB2 1 1 10 8908 1 1 5 LYS HB3 H 1.579 -5.361 12.189 1.00 . A A . 5 LYS HB3 1 1 10 8909 1 1 5 LYS HD2 H -0.809 -4.778 13.667 1.00 . A A . 5 LYS HD2 1 1 10 8910 1 1 5 LYS HD3 H -0.675 -5.456 15.312 1.00 . A A . 5 LYS HD3 1 1 10 8911 1 1 5 LYS HE2 H 1.471 -4.337 15.734 1.00 . A A . 5 LYS HE2 1 1 10 8912 1 1 5 LYS HE3 H 1.509 -3.683 14.045 1.00 . A A . 5 LYS HE3 1 1 10 8913 1 1 5 LYS HG2 H 0.025 -7.262 14.083 1.00 . A A . 5 LYS HG2 1 1 10 8914 1 1 5 LYS HG3 H 1.585 -6.516 14.505 1.00 . A A . 5 LYS HG3 1 1 10 8915 1 1 5 LYS HZ1 H 0.686 -2.087 15.634 1.00 . A A . 5 LYS HZ1 1 1 10 8916 1 1 5 LYS HZ2 H -0.582 -3.122 16.084 1.00 . A A . 5 LYS HZ2 1 1 10 8917 1 1 5 LYS HZ3 H -0.520 -2.498 14.510 1.00 . A A . 5 LYS HZ3 1 1 10 8918 1 1 5 LYS N N -0.719 -7.812 11.668 1.00 . A A . 5 LYS N 1 1 10 8919 1 1 5 LYS NZ N 0.052 -2.844 15.308 1.00 . A A . 5 LYS NZ 1 1 10 8920 1 1 5 LYS O O 0.649 -5.209 9.555 1.00 . A A . 5 LYS O 1 1 10 8921 1 1 6 SER C C -0.285 -6.402 6.862 1.00 . A A . 6 SER C 1 1 10 8922 1 1 6 SER CA C 0.337 -7.452 7.760 1.00 . A A . 6 SER CA 1 1 10 8923 1 1 6 SER CB C -0.094 -8.820 7.157 1.00 . A A . 6 SER CB 1 1 10 8924 1 1 6 SER H H -0.340 -8.152 9.623 1.00 . A A . 6 SER H 1 1 10 8925 1 1 6 SER HA H 1.411 -7.360 7.674 1.00 . A A . 6 SER HA 1 1 10 8926 1 1 6 SER HB2 H -1.177 -8.999 7.355 1.00 . A A . 6 SER HB2 1 1 10 8927 1 1 6 SER HB3 H 0.063 -8.845 6.055 1.00 . A A . 6 SER HB3 1 1 10 8928 1 1 6 SER HG H 0.443 -10.696 7.275 1.00 . A A . 6 SER HG 1 1 10 8929 1 1 6 SER N N 0.014 -7.340 9.173 1.00 . A A . 6 SER N 1 1 10 8930 1 1 6 SER O O -1.396 -5.905 7.060 1.00 . A A . 6 SER O 1 1 10 8931 1 1 6 SER OG O 0.675 -9.869 7.736 1.00 . A A . 6 SER OG 1 1 10 8932 1 1 7 ALA C C -0.731 -6.020 3.667 1.00 . A A . 7 ALA C 1 1 10 8933 1 1 7 ALA CA C -0.025 -5.208 4.735 1.00 . A A . 7 ALA CA 1 1 10 8934 1 1 7 ALA CB C 1.179 -4.506 4.084 1.00 . A A . 7 ALA CB 1 1 10 8935 1 1 7 ALA H H 1.348 -6.464 5.643 1.00 . A A . 7 ALA H 1 1 10 8936 1 1 7 ALA HA H -0.735 -4.493 5.122 1.00 . A A . 7 ALA HA 1 1 10 8937 1 1 7 ALA HB1 H 0.876 -3.849 3.243 1.00 . A A . 7 ALA HB1 1 1 10 8938 1 1 7 ALA HB2 H 1.895 -5.260 3.692 1.00 . A A . 7 ALA HB2 1 1 10 8939 1 1 7 ALA HB3 H 1.723 -3.908 4.840 1.00 . A A . 7 ALA HB3 1 1 10 8940 1 1 7 ALA N N 0.452 -6.052 5.793 1.00 . A A . 7 ALA N 1 1 10 8941 1 1 7 ALA O O -0.527 -7.219 3.522 1.00 . A A . 7 ALA O 1 1 10 8942 1 1 8 CYS C C -1.350 -4.809 0.551 1.00 . A A . 8 CYS C 1 1 10 8943 1 1 8 CYS CA C -1.890 -5.836 1.531 1.00 . A A . 8 CYS CA 1 1 10 8944 1 1 8 CYS CB C -3.412 -6.063 1.342 1.00 . A A . 8 CYS CB 1 1 10 8945 1 1 8 CYS H H -1.859 -4.434 3.073 1.00 . A A . 8 CYS H 1 1 10 8946 1 1 8 CYS HA H -1.391 -6.775 1.327 1.00 . A A . 8 CYS HA 1 1 10 8947 1 1 8 CYS HB2 H -3.704 -6.925 1.982 1.00 . A A . 8 CYS HB2 1 1 10 8948 1 1 8 CYS HB3 H -3.972 -5.183 1.718 1.00 . A A . 8 CYS HB3 1 1 10 8949 1 1 8 CYS N N -1.557 -5.355 2.854 1.00 . A A . 8 CYS N 1 1 10 8950 1 1 8 CYS O O -1.535 -3.604 0.724 1.00 . A A . 8 CYS O 1 1 10 8951 1 1 8 CYS SG S -3.918 -6.413 -0.372 1.00 . A A . 8 CYS SG 1 1 10 8952 1 1 9 CYS C C -0.343 -5.080 -2.890 1.00 . A A . 9 CYS C 1 1 10 8953 1 1 9 CYS CA C -0.166 -4.385 -1.549 1.00 . A A . 9 CYS CA 1 1 10 8954 1 1 9 CYS CB C 1.338 -4.100 -1.331 1.00 . A A . 9 CYS CB 1 1 10 8955 1 1 9 CYS H H -0.361 -6.228 -0.592 1.00 . A A . 9 CYS H 1 1 10 8956 1 1 9 CYS HA H -0.732 -3.464 -1.553 1.00 . A A . 9 CYS HA 1 1 10 8957 1 1 9 CYS HB2 H 1.489 -3.964 -0.237 1.00 . A A . 9 CYS HB2 1 1 10 8958 1 1 9 CYS HB3 H 1.938 -4.997 -1.610 1.00 . A A . 9 CYS HB3 1 1 10 8959 1 1 9 CYS N N -0.639 -5.260 -0.501 1.00 . A A . 9 CYS N 1 1 10 8960 1 1 9 CYS O O 0.306 -6.076 -3.163 1.00 . A A . 9 CYS O 1 1 10 8961 1 1 9 CYS SG S 1.961 -2.615 -2.176 1.00 . A A . 9 CYS SG 1 1 10 8962 1 1 10 ASP C C -0.608 -4.544 -6.190 1.00 . A A . 10 ASP C 1 1 10 8963 1 1 10 ASP CA C -1.410 -5.224 -5.086 1.00 . A A . 10 ASP CA 1 1 10 8964 1 1 10 ASP CB C -2.905 -5.234 -5.510 1.00 . A A . 10 ASP CB 1 1 10 8965 1 1 10 ASP CG C -3.618 -6.501 -5.047 1.00 . A A . 10 ASP CG 1 1 10 8966 1 1 10 ASP H H -1.843 -3.839 -3.557 1.00 . A A . 10 ASP H 1 1 10 8967 1 1 10 ASP HA H -1.047 -6.247 -5.067 1.00 . A A . 10 ASP HA 1 1 10 8968 1 1 10 ASP HB2 H -3.418 -4.327 -5.169 1.00 . A A . 10 ASP HB2 1 1 10 8969 1 1 10 ASP HB3 H -2.998 -5.217 -6.610 1.00 . A A . 10 ASP HB3 1 1 10 8970 1 1 10 ASP HD2 H -3.543 -5.720 -3.263 1.00 . A A . 10 ASP HD2 1 1 10 8971 1 1 10 ASP N N -1.247 -4.603 -3.774 1.00 . A A . 10 ASP N 1 1 10 8972 1 1 10 ASP O O -0.282 -5.169 -7.193 1.00 . A A . 10 ASP O 1 1 10 8973 1 1 10 ASP OD1 O -3.972 -7.418 -5.762 1.00 . A A . 10 ASP OD1 1 1 10 8974 1 1 10 ASP OD2 O -3.790 -6.531 -3.685 1.00 . A A . 10 ASP OD2 1 1 10 8975 1 1 11 THR C C 0.884 -1.253 -6.588 1.00 . A A . 11 THR C 1 1 10 8976 1 1 11 THR CA C 0.094 -2.400 -7.167 1.00 . A A . 11 THR CA 1 1 10 8977 1 1 11 THR CB C -1.120 -1.755 -7.854 1.00 . A A . 11 THR CB 1 1 10 8978 1 1 11 THR CG2 C -0.696 -0.993 -9.111 1.00 . A A . 11 THR CG2 1 1 10 8979 1 1 11 THR H H -0.513 -2.773 -5.217 1.00 . A A . 11 THR H 1 1 10 8980 1 1 11 THR HA H 0.720 -2.940 -7.863 1.00 . A A . 11 THR HA 1 1 10 8981 1 1 11 THR HB H -1.629 -1.063 -7.142 1.00 . A A . 11 THR HB 1 1 10 8982 1 1 11 THR HG1 H -2.867 -2.245 -8.525 1.00 . A A . 11 THR HG1 1 1 10 8983 1 1 11 THR HG21 H -1.575 -0.475 -9.555 1.00 . A A . 11 THR HG21 1 1 10 8984 1 1 11 THR HG22 H -0.279 -1.691 -9.866 1.00 . A A . 11 THR HG22 1 1 10 8985 1 1 11 THR HG23 H 0.068 -0.221 -8.896 1.00 . A A . 11 THR HG23 1 1 10 8986 1 1 11 THR N N -0.271 -3.251 -6.042 1.00 . A A . 11 THR N 1 1 10 8987 1 1 11 THR O O 0.434 -0.549 -5.680 1.00 . A A . 11 THR O 1 1 10 8988 1 1 11 THR OG1 O -2.064 -2.730 -8.277 1.00 . A A . 11 THR OG1 1 1 10 8989 1 1 12 CYS C C 4.239 0.233 -7.103 1.00 . A A . 12 CYS C 1 1 10 8990 1 1 12 CYS CA C 3.139 -0.401 -6.295 1.00 . A A . 12 CYS CA 1 1 10 8991 1 1 12 CYS CB C 3.748 -1.420 -5.300 1.00 . A A . 12 CYS CB 1 1 10 8992 1 1 12 CYS H H 2.474 -1.611 -7.811 1.00 . A A . 12 CYS H 1 1 10 8993 1 1 12 CYS HA H 2.708 0.405 -5.738 1.00 . A A . 12 CYS HA 1 1 10 8994 1 1 12 CYS HB2 H 4.556 -0.938 -4.705 1.00 . A A . 12 CYS HB2 1 1 10 8995 1 1 12 CYS HB3 H 2.904 -1.711 -4.636 1.00 . A A . 12 CYS HB3 1 1 10 8996 1 1 12 CYS N N 2.117 -1.041 -7.081 1.00 . A A . 12 CYS N 1 1 10 8997 1 1 12 CYS O O 4.785 -0.315 -8.057 1.00 . A A . 12 CYS O 1 1 10 8998 1 1 12 CYS SG S 4.347 -2.963 -6.054 1.00 . A A . 12 CYS SG 1 1 10 8999 1 1 13 LEU C C 6.883 1.889 -6.469 1.00 . A A . 13 LEU C 1 1 10 9000 1 1 13 LEU CA C 5.648 2.254 -7.242 1.00 . A A . 13 LEU CA 1 1 10 9001 1 1 13 LEU CB C 5.328 3.757 -7.167 1.00 . A A . 13 LEU CB 1 1 10 9002 1 1 13 LEU CD1 C 5.635 6.000 -8.216 1.00 . A A . 13 LEU CD1 1 1 10 9003 1 1 13 LEU CD2 C 7.522 5.100 -6.855 1.00 . A A . 13 LEU CD2 1 1 10 9004 1 1 13 LEU CG C 6.361 4.723 -7.787 1.00 . A A . 13 LEU CG 1 1 10 9005 1 1 13 LEU H H 4.161 1.854 -5.878 1.00 . A A . 13 LEU H 1 1 10 9006 1 1 13 LEU HA H 5.820 1.994 -8.277 1.00 . A A . 13 LEU HA 1 1 10 9007 1 1 13 LEU HB2 H 4.395 3.871 -7.758 1.00 . A A . 13 LEU HB2 1 1 10 9008 1 1 13 LEU HB3 H 5.100 4.057 -6.123 1.00 . A A . 13 LEU HB3 1 1 10 9009 1 1 13 LEU HD11 H 5.225 6.531 -7.330 1.00 . A A . 13 LEU HD11 1 1 10 9010 1 1 13 LEU HD12 H 4.790 5.749 -8.890 1.00 . A A . 13 LEU HD12 1 1 10 9011 1 1 13 LEU HD13 H 6.325 6.680 -8.752 1.00 . A A . 13 LEU HD13 1 1 10 9012 1 1 13 LEU HD21 H 8.163 5.868 -7.339 1.00 . A A . 13 LEU HD21 1 1 10 9013 1 1 13 LEU HD22 H 8.158 4.224 -6.622 1.00 . A A . 13 LEU HD22 1 1 10 9014 1 1 13 LEU HD23 H 7.126 5.514 -5.904 1.00 . A A . 13 LEU HD23 1 1 10 9015 1 1 13 LEU HG H 6.782 4.245 -8.703 1.00 . A A . 13 LEU HG 1 1 10 9016 1 1 13 LEU N N 4.548 1.484 -6.728 1.00 . A A . 13 LEU N 1 1 10 9017 1 1 13 LEU O O 7.046 2.240 -5.300 1.00 . A A . 13 LEU O 1 1 10 9018 1 1 14 CYS C C 10.036 1.898 -7.343 1.00 . A A . 14 CYS C 1 1 10 9019 1 1 14 CYS CA C 9.115 0.921 -6.656 1.00 . A A . 14 CYS CA 1 1 10 9020 1 1 14 CYS CB C 9.611 -0.534 -6.791 1.00 . A A . 14 CYS CB 1 1 10 9021 1 1 14 CYS H H 7.565 0.813 -8.035 1.00 . A A . 14 CYS H 1 1 10 9022 1 1 14 CYS HA H 9.170 1.183 -5.617 1.00 . A A . 14 CYS HA 1 1 10 9023 1 1 14 CYS HB2 H 9.561 -0.829 -7.856 1.00 . A A . 14 CYS HB2 1 1 10 9024 1 1 14 CYS HB3 H 10.683 -0.565 -6.517 1.00 . A A . 14 CYS HB3 1 1 10 9025 1 1 14 CYS N N 7.765 1.111 -7.105 1.00 . A A . 14 CYS N 1 1 10 9026 1 1 14 CYS O O 10.026 2.047 -8.565 1.00 . A A . 14 CYS O 1 1 10 9027 1 1 14 CYS SG S 8.711 -1.768 -5.774 1.00 . A A . 14 CYS SG 1 1 10 9028 1 1 15 THR C C 13.101 2.918 -7.565 1.00 . A A . 15 THR C 1 1 10 9029 1 1 15 THR CA C 11.837 3.559 -7.035 1.00 . A A . 15 THR CA 1 1 10 9030 1 1 15 THR CB C 12.273 4.569 -5.978 1.00 . A A . 15 THR CB 1 1 10 9031 1 1 15 THR CG2 C 11.093 5.488 -5.641 1.00 . A A . 15 THR CG2 1 1 10 9032 1 1 15 THR H H 10.781 2.473 -5.556 1.00 . A A . 15 THR H 1 1 10 9033 1 1 15 THR HA H 11.402 4.120 -7.851 1.00 . A A . 15 THR HA 1 1 10 9034 1 1 15 THR HB H 13.118 5.188 -6.368 1.00 . A A . 15 THR HB 1 1 10 9035 1 1 15 THR HG1 H 11.840 3.751 -4.307 1.00 . A A . 15 THR HG1 1 1 10 9036 1 1 15 THR HG21 H 10.234 4.926 -5.218 1.00 . A A . 15 THR HG21 1 1 10 9037 1 1 15 THR HG22 H 10.734 5.998 -6.560 1.00 . A A . 15 THR HG22 1 1 10 9038 1 1 15 THR HG23 H 11.397 6.268 -4.910 1.00 . A A . 15 THR HG23 1 1 10 9039 1 1 15 THR N N 10.852 2.598 -6.546 1.00 . A A . 15 THR N 1 1 10 9040 1 1 15 THR O O 13.503 1.830 -7.156 1.00 . A A . 15 THR O 1 1 10 9041 1 1 15 THR OG1 O 12.676 3.935 -4.770 1.00 . A A . 15 THR OG1 1 1 10 9042 1 1 16 ARG C C 15.991 4.232 -7.828 1.00 . A A . 16 ARG C 1 1 10 9043 1 1 16 ARG CA C 15.168 3.421 -8.820 1.00 . A A . 16 ARG CA 1 1 10 9044 1 1 16 ARG CB C 15.507 3.834 -10.269 1.00 . A A . 16 ARG CB 1 1 10 9045 1 1 16 ARG CD C 14.977 3.404 -12.751 1.00 . A A . 16 ARG CD 1 1 10 9046 1 1 16 ARG CG C 14.689 3.040 -11.294 1.00 . A A . 16 ARG CG 1 1 10 9047 1 1 16 ARG CZ C 14.197 2.454 -14.945 1.00 . A A . 16 ARG CZ 1 1 10 9048 1 1 16 ARG H H 13.376 4.429 -8.889 1.00 . A A . 16 ARG H 1 1 10 9049 1 1 16 ARG HA H 15.406 2.377 -8.701 1.00 . A A . 16 ARG HA 1 1 10 9050 1 1 16 ARG HB2 H 15.315 4.917 -10.413 1.00 . A A . 16 ARG HB2 1 1 10 9051 1 1 16 ARG HB3 H 16.582 3.639 -10.467 1.00 . A A . 16 ARG HB3 1 1 10 9052 1 1 16 ARG HD2 H 14.723 4.463 -12.960 1.00 . A A . 16 ARG HD2 1 1 10 9053 1 1 16 ARG HD3 H 16.040 3.206 -13.008 1.00 . A A . 16 ARG HD3 1 1 10 9054 1 1 16 ARG HE H 13.414 1.962 -13.125 1.00 . A A . 16 ARG HE 1 1 10 9055 1 1 16 ARG HG2 H 14.906 1.961 -11.133 1.00 . A A . 16 ARG HG2 1 1 10 9056 1 1 16 ARG HG3 H 13.605 3.210 -11.099 1.00 . A A . 16 ARG HG3 1 1 10 9057 1 1 16 ARG HH11 H 15.680 3.862 -15.141 1.00 . A A . 16 ARG HH11 1 1 10 9058 1 1 16 ARG HH12 H 15.141 3.151 -16.626 1.00 . A A . 16 ARG HH12 1 1 10 9059 1 1 16 ARG HH21 H 12.744 1.016 -15.117 1.00 . A A . 16 ARG HH21 1 1 10 9060 1 1 16 ARG HH22 H 13.446 1.530 -16.617 1.00 . A A . 16 ARG HH22 1 1 10 9061 1 1 16 ARG N N 13.764 3.596 -8.516 1.00 . A A . 16 ARG N 1 1 10 9062 1 1 16 ARG NE N 14.100 2.525 -13.585 1.00 . A A . 16 ARG NE 1 1 10 9063 1 1 16 ARG NH1 N 15.079 3.231 -15.632 1.00 . A A . 16 ARG NH1 1 1 10 9064 1 1 16 ARG NH2 N 13.395 1.584 -15.620 1.00 . A A . 16 ARG NH2 1 1 10 9065 1 1 16 ARG O O 15.853 5.454 -7.773 1.00 . A A . 16 ARG O 1 1 10 9066 1 1 17 SER C C 18.498 3.229 -5.285 1.00 . A A . 17 SER C 1 1 10 9067 1 1 17 SER CA C 17.569 4.238 -5.940 1.00 . A A . 17 SER CA 1 1 10 9068 1 1 17 SER CB C 16.641 4.865 -4.847 1.00 . A A . 17 SER CB 1 1 10 9069 1 1 17 SER H H 16.982 2.600 -7.132 1.00 . A A . 17 SER H 1 1 10 9070 1 1 17 SER HA H 18.188 5.007 -6.369 1.00 . A A . 17 SER HA 1 1 10 9071 1 1 17 SER HB2 H 15.804 5.396 -5.346 1.00 . A A . 17 SER HB2 1 1 10 9072 1 1 17 SER HB3 H 16.191 4.068 -4.217 1.00 . A A . 17 SER HB3 1 1 10 9073 1 1 17 SER HG H 16.679 6.322 -3.526 1.00 . A A . 17 SER HG 1 1 10 9074 1 1 17 SER N N 16.844 3.589 -7.020 1.00 . A A . 17 SER N 1 1 10 9075 1 1 17 SER O O 18.776 2.159 -5.823 1.00 . A A . 17 SER O 1 1 10 9076 1 1 17 SER OG O 17.340 5.813 -4.037 1.00 . A A . 17 SER OG 1 1 10 9077 1 1 18 GLN C C 19.891 3.121 -1.874 1.00 . A A . 18 GLN C 1 1 10 9078 1 1 18 GLN CA C 20.019 2.820 -3.372 1.00 . A A . 18 GLN CA 1 1 10 9079 1 1 18 GLN CB C 21.442 3.259 -3.804 1.00 . A A . 18 GLN CB 1 1 10 9080 1 1 18 GLN CD C 23.308 2.997 -5.512 1.00 . A A . 18 GLN CD 1 1 10 9081 1 1 18 GLN CG C 21.829 2.796 -5.226 1.00 . A A . 18 GLN CG 1 1 10 9082 1 1 18 GLN H H 18.711 4.425 -3.703 1.00 . A A . 18 GLN H 1 1 10 9083 1 1 18 GLN HA H 19.899 1.762 -3.546 1.00 . A A . 18 GLN HA 1 1 10 9084 1 1 18 GLN HB2 H 21.496 4.370 -3.747 1.00 . A A . 18 GLN HB2 1 1 10 9085 1 1 18 GLN HB3 H 22.174 2.840 -3.077 1.00 . A A . 18 GLN HB3 1 1 10 9086 1 1 18 GLN HE21 H 23.793 1.605 -4.111 1.00 . A A . 18 GLN HE21 1 1 10 9087 1 1 18 GLN HE22 H 25.145 2.340 -4.935 1.00 . A A . 18 GLN HE22 1 1 10 9088 1 1 18 GLN HG2 H 21.589 1.719 -5.352 1.00 . A A . 18 GLN HG2 1 1 10 9089 1 1 18 GLN HG3 H 21.249 3.358 -5.988 1.00 . A A . 18 GLN HG3 1 1 10 9090 1 1 18 GLN N N 19.002 3.552 -4.086 1.00 . A A . 18 GLN N 1 1 10 9091 1 1 18 GLN NE2 N 24.158 2.241 -4.787 1.00 . A A . 18 GLN NE2 1 1 10 9092 1 1 18 GLN O O 20.391 4.146 -1.396 1.00 . A A . 18 GLN O 1 1 10 9093 1 1 18 GLN OE1 O 23.721 3.780 -6.373 1.00 . A A . 18 GLN OE1 1 1 10 9094 1 1 19 PRO C C 17.173 1.568 -2.240 1.00 . A A . 19 PRO C 1 1 10 9095 1 1 19 PRO CA C 18.434 1.138 -1.494 1.00 . A A . 19 PRO CA 1 1 10 9096 1 1 19 PRO CB C 18.079 0.471 -0.153 1.00 . A A . 19 PRO CB 1 1 10 9097 1 1 19 PRO CD C 19.133 2.543 0.362 1.00 . A A . 19 PRO CD 1 1 10 9098 1 1 19 PRO CG C 18.012 1.628 0.845 1.00 . A A . 19 PRO CG 1 1 10 9099 1 1 19 PRO HA H 19.017 0.494 -2.133 1.00 . A A . 19 PRO HA 1 1 10 9100 1 1 19 PRO HB2 H 17.129 -0.110 -0.189 1.00 . A A . 19 PRO HB2 1 1 10 9101 1 1 19 PRO HB3 H 18.925 -0.198 0.142 1.00 . A A . 19 PRO HB3 1 1 10 9102 1 1 19 PRO HD2 H 18.898 3.610 0.579 1.00 . A A . 19 PRO HD2 1 1 10 9103 1 1 19 PRO HD3 H 20.099 2.261 0.840 1.00 . A A . 19 PRO HD3 1 1 10 9104 1 1 19 PRO HG2 H 17.035 2.153 0.747 1.00 . A A . 19 PRO HG2 1 1 10 9105 1 1 19 PRO HG3 H 18.152 1.296 1.893 1.00 . A A . 19 PRO HG3 1 1 10 9106 1 1 19 PRO N N 19.234 2.288 -1.076 1.00 . A A . 19 PRO N 1 1 10 9107 1 1 19 PRO O O 16.750 2.718 -2.075 1.00 . A A . 19 PRO O 1 1 10 9108 1 1 20 PRO C C 14.189 1.026 -2.527 1.00 . A A . 20 PRO C 1 1 10 9109 1 1 20 PRO CA C 15.234 1.068 -3.616 1.00 . A A . 20 PRO CA 1 1 10 9110 1 1 20 PRO CB C 15.010 -0.030 -4.661 1.00 . A A . 20 PRO CB 1 1 10 9111 1 1 20 PRO CD C 16.938 -0.633 -3.367 1.00 . A A . 20 PRO CD 1 1 10 9112 1 1 20 PRO CG C 15.715 -1.245 -4.062 1.00 . A A . 20 PRO CG 1 1 10 9113 1 1 20 PRO HA H 15.218 2.058 -4.045 1.00 . A A . 20 PRO HA 1 1 10 9114 1 1 20 PRO HB2 H 13.940 -0.218 -4.880 1.00 . A A . 20 PRO HB2 1 1 10 9115 1 1 20 PRO HB3 H 15.520 0.264 -5.607 1.00 . A A . 20 PRO HB3 1 1 10 9116 1 1 20 PRO HD2 H 17.181 -1.198 -2.437 1.00 . A A . 20 PRO HD2 1 1 10 9117 1 1 20 PRO HD3 H 17.810 -0.618 -4.059 1.00 . A A . 20 PRO HD3 1 1 10 9118 1 1 20 PRO HG2 H 15.050 -1.712 -3.302 1.00 . A A . 20 PRO HG2 1 1 10 9119 1 1 20 PRO HG3 H 15.989 -1.999 -4.825 1.00 . A A . 20 PRO HG3 1 1 10 9120 1 1 20 PRO N N 16.542 0.748 -3.073 1.00 . A A . 20 PRO N 1 1 10 9121 1 1 20 PRO O O 14.424 0.513 -1.436 1.00 . A A . 20 PRO O 1 1 10 9122 1 1 21 THR C C 10.785 2.138 -2.434 1.00 . A A . 21 THR C 1 1 10 9123 1 1 21 THR CA C 12.137 2.092 -1.773 1.00 . A A . 21 THR CA 1 1 10 9124 1 1 21 THR CB C 12.504 3.523 -1.348 1.00 . A A . 21 THR CB 1 1 10 9125 1 1 21 THR CG2 C 11.661 3.958 -0.160 1.00 . A A . 21 THR CG2 1 1 10 9126 1 1 21 THR H H 12.899 1.953 -3.734 1.00 . A A . 21 THR H 1 1 10 9127 1 1 21 THR HA H 12.102 1.414 -0.930 1.00 . A A . 21 THR HA 1 1 10 9128 1 1 21 THR HB H 12.349 4.225 -2.204 1.00 . A A . 21 THR HB 1 1 10 9129 1 1 21 THR HG1 H 14.440 3.454 -1.611 1.00 . A A . 21 THR HG1 1 1 10 9130 1 1 21 THR HG21 H 11.820 5.038 0.048 1.00 . A A . 21 THR HG21 1 1 10 9131 1 1 21 THR HG22 H 11.970 3.384 0.737 1.00 . A A . 21 THR HG22 1 1 10 9132 1 1 21 THR HG23 H 10.586 3.776 -0.317 1.00 . A A . 21 THR HG23 1 1 10 9133 1 1 21 THR N N 13.018 1.586 -2.813 1.00 . A A . 21 THR N 1 1 10 9134 1 1 21 THR O O 10.652 2.631 -3.557 1.00 . A A . 21 THR O 1 1 10 9135 1 1 21 THR OG1 O 13.844 3.632 -0.871 1.00 . A A . 21 THR OG1 1 1 10 9136 1 1 22 CYS C C 7.330 1.305 -1.710 1.00 . A A . 22 CYS C 1 1 10 9137 1 1 22 CYS CA C 8.567 1.169 -2.559 1.00 . A A . 22 CYS CA 1 1 10 9138 1 1 22 CYS CB C 8.716 -0.291 -3.093 1.00 . A A . 22 CYS CB 1 1 10 9139 1 1 22 CYS H H 9.839 1.159 -0.879 1.00 . A A . 22 CYS H 1 1 10 9140 1 1 22 CYS HA H 8.417 1.852 -3.382 1.00 . A A . 22 CYS HA 1 1 10 9141 1 1 22 CYS HB2 H 9.744 -0.379 -3.499 1.00 . A A . 22 CYS HB2 1 1 10 9142 1 1 22 CYS HB3 H 8.645 -1.011 -2.251 1.00 . A A . 22 CYS HB3 1 1 10 9143 1 1 22 CYS N N 9.755 1.537 -1.811 1.00 . A A . 22 CYS N 1 1 10 9144 1 1 22 CYS O O 7.389 1.308 -0.478 1.00 . A A . 22 CYS O 1 1 10 9145 1 1 22 CYS SG S 7.562 -0.773 -4.415 1.00 . A A . 22 CYS SG 1 1 10 9146 1 1 23 ARG C C 3.783 1.599 -2.741 1.00 . A A . 23 ARG C 1 1 10 9147 1 1 23 ARG CA C 4.903 1.692 -1.728 1.00 . A A . 23 ARG CA 1 1 10 9148 1 1 23 ARG CB C 4.903 3.085 -1.041 1.00 . A A . 23 ARG CB 1 1 10 9149 1 1 23 ARG CD C 2.584 4.175 -0.781 1.00 . A A . 23 ARG CD 1 1 10 9150 1 1 23 ARG CG C 3.734 3.429 -0.095 1.00 . A A . 23 ARG CG 1 1 10 9151 1 1 23 ARG CZ C 2.513 6.537 -1.713 1.00 . A A . 23 ARG CZ 1 1 10 9152 1 1 23 ARG H H 6.189 1.454 -3.381 1.00 . A A . 23 ARG H 1 1 10 9153 1 1 23 ARG HA H 4.730 0.930 -0.988 1.00 . A A . 23 ARG HA 1 1 10 9154 1 1 23 ARG HB2 H 5.808 3.111 -0.404 1.00 . A A . 23 ARG HB2 1 1 10 9155 1 1 23 ARG HB3 H 5.019 3.893 -1.795 1.00 . A A . 23 ARG HB3 1 1 10 9156 1 1 23 ARG HD2 H 2.397 3.777 -1.795 1.00 . A A . 23 ARG HD2 1 1 10 9157 1 1 23 ARG HD3 H 1.664 4.158 -0.164 1.00 . A A . 23 ARG HD3 1 1 10 9158 1 1 23 ARG HE H 3.734 5.895 -0.247 1.00 . A A . 23 ARG HE 1 1 10 9159 1 1 23 ARG HG2 H 3.382 2.537 0.443 1.00 . A A . 23 ARG HG2 1 1 10 9160 1 1 23 ARG HG3 H 4.127 4.093 0.710 1.00 . A A . 23 ARG HG3 1 1 10 9161 1 1 23 ARG HH11 H 1.219 5.352 -2.798 1.00 . A A . 23 ARG HH11 1 1 10 9162 1 1 23 ARG HH12 H 1.243 7.005 -3.262 1.00 . A A . 23 ARG HH12 1 1 10 9163 1 1 23 ARG HH21 H 3.708 7.878 -0.813 1.00 . A A . 23 ARG HH21 1 1 10 9164 1 1 23 ARG HH22 H 2.712 8.568 -2.078 1.00 . A A . 23 ARG HH22 1 1 10 9165 1 1 23 ARG N N 6.165 1.399 -2.376 1.00 . A A . 23 ARG N 1 1 10 9166 1 1 23 ARG NE N 3.024 5.588 -0.881 1.00 . A A . 23 ARG NE 1 1 10 9167 1 1 23 ARG NH1 N 1.573 6.277 -2.662 1.00 . A A . 23 ARG NH1 1 1 10 9168 1 1 23 ARG NH2 N 3.010 7.791 -1.526 1.00 . A A . 23 ARG NH2 1 1 10 9169 1 1 23 ARG O O 3.944 1.799 -3.945 1.00 . A A . 23 ARG O 1 1 10 9170 1 1 24 CYS C C 0.707 2.103 -3.519 1.00 . A A . 24 CYS C 1 1 10 9171 1 1 24 CYS CA C 1.427 0.864 -3.016 1.00 . A A . 24 CYS CA 1 1 10 9172 1 1 24 CYS CB C 0.426 0.045 -2.146 1.00 . A A . 24 CYS CB 1 1 10 9173 1 1 24 CYS H H 2.519 0.993 -1.283 1.00 . A A . 24 CYS H 1 1 10 9174 1 1 24 CYS HA H 1.740 0.281 -3.864 1.00 . A A . 24 CYS HA 1 1 10 9175 1 1 24 CYS HB2 H -0.148 0.749 -1.499 1.00 . A A . 24 CYS HB2 1 1 10 9176 1 1 24 CYS HB3 H -0.307 -0.471 -2.800 1.00 . A A . 24 CYS HB3 1 1 10 9177 1 1 24 CYS N N 2.608 1.171 -2.253 1.00 . A A . 24 CYS N 1 1 10 9178 1 1 24 CYS O O 0.179 2.882 -2.732 1.00 . A A . 24 CYS O 1 1 10 9179 1 1 24 CYS SG S 1.246 -1.125 -1.010 1.00 . A A . 24 CYS SG 1 1 10 9180 1 1 25 VAL C C -1.700 3.027 -5.213 1.00 . A A . 25 VAL C 1 1 10 9181 1 1 25 VAL CA C -0.227 3.300 -5.471 1.00 . A A . 25 VAL CA 1 1 10 9182 1 1 25 VAL CB C 0.066 3.521 -6.947 1.00 . A A . 25 VAL CB 1 1 10 9183 1 1 25 VAL CG1 C 1.526 3.991 -7.065 1.00 . A A . 25 VAL CG1 1 1 10 9184 1 1 25 VAL CG2 C -0.183 2.264 -7.797 1.00 . A A . 25 VAL CG2 1 1 10 9185 1 1 25 VAL H H 0.990 1.636 -5.492 1.00 . A A . 25 VAL H 1 1 10 9186 1 1 25 VAL HA H -0.022 4.232 -4.971 1.00 . A A . 25 VAL HA 1 1 10 9187 1 1 25 VAL HB H -0.590 4.338 -7.331 1.00 . A A . 25 VAL HB 1 1 10 9188 1 1 25 VAL HG11 H 2.220 3.192 -6.736 1.00 . A A . 25 VAL HG11 1 1 10 9189 1 1 25 VAL HG12 H 1.697 4.891 -6.433 1.00 . A A . 25 VAL HG12 1 1 10 9190 1 1 25 VAL HG13 H 1.763 4.253 -8.117 1.00 . A A . 25 VAL HG13 1 1 10 9191 1 1 25 VAL HG21 H -1.245 1.943 -7.752 1.00 . A A . 25 VAL HG21 1 1 10 9192 1 1 25 VAL HG22 H 0.466 1.428 -7.474 1.00 . A A . 25 VAL HG22 1 1 10 9193 1 1 25 VAL HG23 H 0.051 2.483 -8.862 1.00 . A A . 25 VAL HG23 1 1 10 9194 1 1 25 VAL N N 0.645 2.313 -4.851 1.00 . A A . 25 VAL N 1 1 10 9195 1 1 25 VAL O O -2.552 3.908 -5.268 1.00 . A A . 25 VAL O 1 1 10 9196 1 1 26 ASP C C -3.968 1.786 -3.410 1.00 . A A . 26 ASP C 1 1 10 9197 1 1 26 ASP CA C -3.354 1.266 -4.698 1.00 . A A . 26 ASP CA 1 1 10 9198 1 1 26 ASP CB C -3.400 -0.288 -4.660 1.00 . A A . 26 ASP CB 1 1 10 9199 1 1 26 ASP CG C -4.650 -0.862 -5.310 1.00 . A A . 26 ASP CG 1 1 10 9200 1 1 26 ASP H H -1.262 1.107 -4.892 1.00 . A A . 26 ASP H 1 1 10 9201 1 1 26 ASP HA H -3.950 1.633 -5.523 1.00 . A A . 26 ASP HA 1 1 10 9202 1 1 26 ASP HB2 H -2.559 -0.678 -5.266 1.00 . A A . 26 ASP HB2 1 1 10 9203 1 1 26 ASP HB3 H -3.303 -0.684 -3.631 1.00 . A A . 26 ASP HB3 1 1 10 9204 1 1 26 ASP HD2 H -5.783 -0.109 -3.829 1.00 . A A . 26 ASP HD2 1 1 10 9205 1 1 26 ASP N N -2.016 1.750 -4.925 1.00 . A A . 26 ASP N 1 1 10 9206 1 1 26 ASP O O -3.487 1.517 -2.311 1.00 . A A . 26 ASP O 1 1 10 9207 1 1 26 ASP OD1 O -4.627 -1.543 -6.317 1.00 . A A . 26 ASP OD1 1 1 10 9208 1 1 26 ASP OD2 O -5.835 -0.605 -4.655 1.00 . A A . 26 ASP OD2 1 1 10 9209 1 1 27 VAL C C -6.566 1.686 -1.729 1.00 . A A . 27 VAL C 1 1 10 9210 1 1 27 VAL CA C -5.975 2.876 -2.463 1.00 . A A . 27 VAL CA 1 1 10 9211 1 1 27 VAL CB C -7.011 3.921 -2.907 1.00 . A A . 27 VAL CB 1 1 10 9212 1 1 27 VAL CG1 C -7.392 3.809 -4.391 1.00 . A A . 27 VAL CG1 1 1 10 9213 1 1 27 VAL CG2 C -8.318 3.910 -2.096 1.00 . A A . 27 VAL CG2 1 1 10 9214 1 1 27 VAL H H -5.404 2.696 -4.476 1.00 . A A . 27 VAL H 1 1 10 9215 1 1 27 VAL HA H -5.365 3.372 -1.719 1.00 . A A . 27 VAL HA 1 1 10 9216 1 1 27 VAL HB H -6.521 4.914 -2.790 1.00 . A A . 27 VAL HB 1 1 10 9217 1 1 27 VAL HG11 H -6.560 4.146 -5.042 1.00 . A A . 27 VAL HG11 1 1 10 9218 1 1 27 VAL HG12 H -8.246 4.495 -4.581 1.00 . A A . 27 VAL HG12 1 1 10 9219 1 1 27 VAL HG13 H -7.718 2.779 -4.647 1.00 . A A . 27 VAL HG13 1 1 10 9220 1 1 27 VAL HG21 H -8.146 4.046 -1.010 1.00 . A A . 27 VAL HG21 1 1 10 9221 1 1 27 VAL HG22 H -8.872 2.961 -2.260 1.00 . A A . 27 VAL HG22 1 1 10 9222 1 1 27 VAL HG23 H -8.972 4.731 -2.459 1.00 . A A . 27 VAL HG23 1 1 10 9223 1 1 27 VAL N N -5.107 2.469 -3.553 1.00 . A A . 27 VAL N 1 1 10 9224 1 1 27 VAL O O -6.844 0.632 -2.307 1.00 . A A . 27 VAL O 1 1 10 9225 1 1 28 ARG C C -8.509 1.346 1.136 1.00 . A A . 28 ARG C 1 1 10 9226 1 1 28 ARG CA C -7.250 0.830 0.475 1.00 . A A . 28 ARG CA 1 1 10 9227 1 1 28 ARG CB C -6.214 0.437 1.544 1.00 . A A . 28 ARG CB 1 1 10 9228 1 1 28 ARG CD C -5.551 -1.898 0.820 1.00 . A A . 28 ARG CD 1 1 10 9229 1 1 28 ARG CG C -5.094 -0.443 0.974 1.00 . A A . 28 ARG CG 1 1 10 9230 1 1 28 ARG CZ C -4.806 -2.862 -1.384 1.00 . A A . 28 ARG CZ 1 1 10 9231 1 1 28 ARG H H -6.396 2.665 0.057 1.00 . A A . 28 ARG H 1 1 10 9232 1 1 28 ARG HA H -7.534 -0.041 -0.089 1.00 . A A . 28 ARG HA 1 1 10 9233 1 1 28 ARG HB2 H -5.784 1.372 1.961 1.00 . A A . 28 ARG HB2 1 1 10 9234 1 1 28 ARG HB3 H -6.698 -0.119 2.372 1.00 . A A . 28 ARG HB3 1 1 10 9235 1 1 28 ARG HD2 H -5.574 -2.401 1.809 1.00 . A A . 28 ARG HD2 1 1 10 9236 1 1 28 ARG HD3 H -6.572 -1.925 0.385 1.00 . A A . 28 ARG HD3 1 1 10 9237 1 1 28 ARG HE H -3.698 -2.901 0.332 1.00 . A A . 28 ARG HE 1 1 10 9238 1 1 28 ARG HG2 H -4.792 -0.023 -0.013 1.00 . A A . 28 ARG HG2 1 1 10 9239 1 1 28 ARG HG3 H -4.218 -0.409 1.655 1.00 . A A . 28 ARG HG3 1 1 10 9240 1 1 28 ARG HH11 H -6.694 -2.068 -1.440 1.00 . A A . 28 ARG HH11 1 1 10 9241 1 1 28 ARG HH12 H -6.131 -2.714 -2.948 1.00 . A A . 28 ARG HH12 1 1 10 9242 1 1 28 ARG HH21 H -2.978 -3.728 -1.700 1.00 . A A . 28 ARG HH21 1 1 10 9243 1 1 28 ARG HH22 H -4.018 -3.637 -3.101 1.00 . A A . 28 ARG HH22 1 1 10 9244 1 1 28 ARG N N -6.688 1.824 -0.397 1.00 . A A . 28 ARG N 1 1 10 9245 1 1 28 ARG NE N -4.575 -2.623 -0.058 1.00 . A A . 28 ARG NE 1 1 10 9246 1 1 28 ARG NH1 N -5.983 -2.519 -1.979 1.00 . A A . 28 ARG NH1 1 1 10 9247 1 1 28 ARG NH2 N -3.835 -3.455 -2.136 1.00 . A A . 28 ARG NH2 1 1 10 9248 1 1 28 ARG O O -8.795 2.540 1.169 1.00 . A A . 28 ARG O 1 1 10 9249 1 1 29 GLU C C -10.016 1.430 3.833 1.00 . A A . 29 GLU C 1 1 10 9250 1 1 29 GLU CA C -10.397 0.644 2.593 1.00 . A A . 29 GLU CA 1 1 10 9251 1 1 29 GLU CB C -11.036 -0.697 2.969 1.00 . A A . 29 GLU CB 1 1 10 9252 1 1 29 GLU CD C -12.771 -2.367 2.218 1.00 . A A . 29 GLU CD 1 1 10 9253 1 1 29 GLU CG C -11.697 -1.399 1.761 1.00 . A A . 29 GLU CG 1 1 10 9254 1 1 29 GLU H H -9.031 -0.544 1.638 1.00 . A A . 29 GLU H 1 1 10 9255 1 1 29 GLU HA H -11.128 1.252 2.088 1.00 . A A . 29 GLU HA 1 1 10 9256 1 1 29 GLU HB2 H -10.241 -1.352 3.383 1.00 . A A . 29 GLU HB2 1 1 10 9257 1 1 29 GLU HB3 H -11.781 -0.518 3.776 1.00 . A A . 29 GLU HB3 1 1 10 9258 1 1 29 GLU HE2 H -13.910 -0.788 2.369 1.00 . A A . 29 GLU HE2 1 1 10 9259 1 1 29 GLU HG2 H -12.156 -0.650 1.082 1.00 . A A . 29 GLU HG2 1 1 10 9260 1 1 29 GLU HG3 H -10.936 -1.963 1.181 1.00 . A A . 29 GLU HG3 1 1 10 9261 1 1 29 GLU N N -9.320 0.407 1.656 1.00 . A A . 29 GLU N 1 1 10 9262 1 1 29 GLU O O -10.742 2.306 4.296 1.00 . A A . 29 GLU O 1 1 10 9263 1 1 29 GLU OE1 O -12.685 -3.581 2.250 1.00 . A A . 29 GLU OE1 1 1 10 9264 1 1 29 GLU OE2 O -13.905 -1.721 2.648 1.00 . A A . 29 GLU OE2 1 1 10 9265 1 1 30 SER C C -6.839 1.669 5.608 1.00 . A A . 30 SER C 1 1 10 9266 1 1 30 SER CA C -8.350 1.610 5.641 1.00 . A A . 30 SER CA 1 1 10 9267 1 1 30 SER CB C -8.765 0.716 6.861 1.00 . A A . 30 SER CB 1 1 10 9268 1 1 30 SER H H -8.290 0.382 3.950 1.00 . A A . 30 SER H 1 1 10 9269 1 1 30 SER HA H -8.715 2.615 5.757 1.00 . A A . 30 SER HA 1 1 10 9270 1 1 30 SER HB2 H -8.280 -0.285 6.776 1.00 . A A . 30 SER HB2 1 1 10 9271 1 1 30 SER HB3 H -8.454 1.173 7.824 1.00 . A A . 30 SER HB3 1 1 10 9272 1 1 30 SER HG H -10.395 0.408 7.879 1.00 . A A . 30 SER HG 1 1 10 9273 1 1 30 SER N N -8.825 1.112 4.368 1.00 . A A . 30 SER N 1 1 10 9274 1 1 30 SER O O -6.207 1.631 4.555 1.00 . A A . 30 SER O 1 1 10 9275 1 1 30 SER OG O -10.177 0.523 6.934 1.00 . A A . 30 SER OG 1 1 10 9276 1 1 31 CYS C C -4.358 0.223 7.280 1.00 . A A . 31 CYS C 1 1 10 9277 1 1 31 CYS CA C -4.759 1.643 6.905 1.00 . A A . 31 CYS CA 1 1 10 9278 1 1 31 CYS CB C -4.282 2.631 7.992 1.00 . A A . 31 CYS CB 1 1 10 9279 1 1 31 CYS H H -6.671 1.875 7.646 1.00 . A A . 31 CYS H 1 1 10 9280 1 1 31 CYS HA H -4.284 1.868 5.958 1.00 . A A . 31 CYS HA 1 1 10 9281 1 1 31 CYS HB2 H -4.968 2.537 8.871 1.00 . A A . 31 CYS HB2 1 1 10 9282 1 1 31 CYS HB3 H -3.241 2.410 8.328 1.00 . A A . 31 CYS HB3 1 1 10 9283 1 1 31 CYS N N -6.191 1.765 6.781 1.00 . A A . 31 CYS N 1 1 10 9284 1 1 31 CYS O O -5.181 -0.624 7.615 1.00 . A A . 31 CYS O 1 1 10 9285 1 1 31 CYS SG S -4.346 4.335 7.365 1.00 . A A . 31 CYS SG 1 1 10 9286 1 1 32 HIS C C -1.305 -0.987 8.577 1.00 . A A . 32 HIS C 1 1 10 9287 1 1 32 HIS CA C -2.488 -1.305 7.702 1.00 . A A . 32 HIS CA 1 1 10 9288 1 1 32 HIS CB C -2.041 -2.261 6.574 1.00 . A A . 32 HIS CB 1 1 10 9289 1 1 32 HIS CD2 C -1.018 -1.356 4.355 1.00 . A A . 32 HIS CD2 1 1 10 9290 1 1 32 HIS CE1 C 1.067 -1.333 5.011 1.00 . A A . 32 HIS CE1 1 1 10 9291 1 1 32 HIS CG C -0.974 -1.756 5.647 1.00 . A A . 32 HIS CG 1 1 10 9292 1 1 32 HIS H H -2.372 0.625 6.981 1.00 . A A . 32 HIS H 1 1 10 9293 1 1 32 HIS HA H -3.208 -1.815 8.328 1.00 . A A . 32 HIS HA 1 1 10 9294 1 1 32 HIS HB2 H -1.655 -3.198 7.038 1.00 . A A . 32 HIS HB2 1 1 10 9295 1 1 32 HIS HB3 H -2.938 -2.483 5.956 1.00 . A A . 32 HIS HB3 1 1 10 9296 1 1 32 HIS HD1 H 0.676 -2.005 6.930 1.00 . A A . 32 HIS HD1 1 1 10 9297 1 1 32 HIS HD2 H -1.870 -1.253 3.691 1.00 . A A . 32 HIS HD2 1 1 10 9298 1 1 32 HIS HE1 H 2.128 -1.234 5.051 1.00 . A A . 32 HIS HE1 1 1 10 9299 1 1 32 HIS HE2 H 0.574 -0.795 3.068 1.00 . A A . 32 HIS HE2 1 1 10 9300 1 1 32 HIS N N -3.043 -0.068 7.210 1.00 . A A . 32 HIS N 1 1 10 9301 1 1 32 HIS ND1 N 0.335 -1.737 6.029 1.00 . A A . 32 HIS ND1 1 1 10 9302 1 1 32 HIS NE2 N 0.275 -1.103 3.972 1.00 . A A . 32 HIS NE2 1 1 10 9303 1 1 32 HIS O O -0.559 -0.049 8.308 1.00 . A A . 32 HIS O 1 1 10 9304 1 1 33 SER C C 1.354 -1.606 10.273 1.00 . A A . 33 SER C 1 1 10 9305 1 1 33 SER CA C -0.102 -1.507 10.652 1.00 . A A . 33 SER CA 1 1 10 9306 1 1 33 SER CB C -0.266 -2.463 11.844 1.00 . A A . 33 SER CB 1 1 10 9307 1 1 33 SER H H -1.729 -2.519 9.843 1.00 . A A . 33 SER H 1 1 10 9308 1 1 33 SER HA H -0.261 -0.484 10.966 1.00 . A A . 33 SER HA 1 1 10 9309 1 1 33 SER HB2 H -0.146 -3.516 11.507 1.00 . A A . 33 SER HB2 1 1 10 9310 1 1 33 SER HB3 H 0.496 -2.256 12.631 1.00 . A A . 33 SER HB3 1 1 10 9311 1 1 33 SER HG H -1.560 -1.412 12.812 1.00 . A A . 33 SER HG 1 1 10 9312 1 1 33 SER N N -1.081 -1.794 9.616 1.00 . A A . 33 SER N 1 1 10 9313 1 1 33 SER O O 2.198 -0.988 10.910 1.00 . A A . 33 SER O 1 1 10 9314 1 1 33 SER OG O -1.561 -2.302 12.405 1.00 . A A . 33 SER OG 1 1 10 9315 1 1 34 ALA C C 3.762 -1.212 8.363 1.00 . A A . 34 ALA C 1 1 10 9316 1 1 34 ALA CA C 3.088 -2.517 8.789 1.00 . A A . 34 ALA CA 1 1 10 9317 1 1 34 ALA CB C 3.161 -3.553 7.650 1.00 . A A . 34 ALA CB 1 1 10 9318 1 1 34 ALA H H 1.065 -3.034 8.861 1.00 . A A . 34 ALA H 1 1 10 9319 1 1 34 ALA HA H 3.650 -2.882 9.631 1.00 . A A . 34 ALA HA 1 1 10 9320 1 1 34 ALA HB1 H 2.620 -3.209 6.750 1.00 . A A . 34 ALA HB1 1 1 10 9321 1 1 34 ALA HB2 H 2.728 -4.516 7.996 1.00 . A A . 34 ALA HB2 1 1 10 9322 1 1 34 ALA HB3 H 4.219 -3.749 7.365 1.00 . A A . 34 ALA HB3 1 1 10 9323 1 1 34 ALA N N 1.715 -2.383 9.235 1.00 . A A . 34 ALA N 1 1 10 9324 1 1 34 ALA O O 4.975 -1.049 8.463 1.00 . A A . 34 ALA O 1 1 10 9325 1 1 35 CYS C C 3.305 2.029 8.817 1.00 . A A . 35 CYS C 1 1 10 9326 1 1 35 CYS CA C 3.447 1.108 7.616 1.00 . A A . 35 CYS CA 1 1 10 9327 1 1 35 CYS CB C 2.728 1.654 6.361 1.00 . A A . 35 CYS CB 1 1 10 9328 1 1 35 CYS H H 1.985 -0.336 7.928 1.00 . A A . 35 CYS H 1 1 10 9329 1 1 35 CYS HA H 4.501 1.059 7.385 1.00 . A A . 35 CYS HA 1 1 10 9330 1 1 35 CYS HB2 H 3.342 2.476 5.939 1.00 . A A . 35 CYS HB2 1 1 10 9331 1 1 35 CYS HB3 H 2.723 0.816 5.630 1.00 . A A . 35 CYS HB3 1 1 10 9332 1 1 35 CYS N N 2.971 -0.225 7.906 1.00 . A A . 35 CYS N 1 1 10 9333 1 1 35 CYS O O 2.601 1.715 9.770 1.00 . A A . 35 CYS O 1 1 10 9334 1 1 35 CYS SG S 1.017 2.245 6.592 1.00 . A A . 35 CYS SG 1 1 10 9335 1 1 36 ASP C C 3.269 5.300 9.904 1.00 . A A . 36 ASP C 1 1 10 9336 1 1 36 ASP CA C 4.081 4.018 10.013 1.00 . A A . 36 ASP CA 1 1 10 9337 1 1 36 ASP CB C 5.563 4.338 10.346 1.00 . A A . 36 ASP CB 1 1 10 9338 1 1 36 ASP CG C 6.321 3.025 10.328 1.00 . A A . 36 ASP CG 1 1 10 9339 1 1 36 ASP H H 4.607 3.420 8.062 1.00 . A A . 36 ASP H 1 1 10 9340 1 1 36 ASP HA H 3.657 3.493 10.864 1.00 . A A . 36 ASP HA 1 1 10 9341 1 1 36 ASP HB2 H 5.998 5.052 9.623 1.00 . A A . 36 ASP HB2 1 1 10 9342 1 1 36 ASP HB3 H 5.637 4.777 11.361 1.00 . A A . 36 ASP HB3 1 1 10 9343 1 1 36 ASP HD2 H 7.625 3.876 9.110 1.00 . A A . 36 ASP HD2 1 1 10 9344 1 1 36 ASP N N 4.001 3.181 8.821 1.00 . A A . 36 ASP N 1 1 10 9345 1 1 36 ASP O O 2.706 5.767 10.887 1.00 . A A . 36 ASP O 1 1 10 9346 1 1 36 ASP OD1 O 6.012 2.024 10.950 1.00 . A A . 36 ASP OD1 1 1 10 9347 1 1 36 ASP OD2 O 7.380 3.004 9.450 1.00 . A A . 36 ASP OD2 1 1 10 9348 1 1 37 LYS C C 1.316 6.778 7.430 1.00 . A A . 37 LYS C 1 1 10 9349 1 1 37 LYS CA C 2.360 7.077 8.483 1.00 . A A . 37 LYS CA 1 1 10 9350 1 1 37 LYS CB C 3.206 8.273 7.998 1.00 . A A . 37 LYS CB 1 1 10 9351 1 1 37 LYS CD C 2.037 10.177 9.231 1.00 . A A . 37 LYS CD 1 1 10 9352 1 1 37 LYS CE C 1.180 11.437 9.122 1.00 . A A . 37 LYS CE 1 1 10 9353 1 1 37 LYS CG C 2.418 9.585 7.868 1.00 . A A . 37 LYS CG 1 1 10 9354 1 1 37 LYS H H 3.665 5.586 7.915 1.00 . A A . 37 LYS H 1 1 10 9355 1 1 37 LYS HA H 1.839 7.342 9.390 1.00 . A A . 37 LYS HA 1 1 10 9356 1 1 37 LYS HB2 H 4.049 8.424 8.704 1.00 . A A . 37 LYS HB2 1 1 10 9357 1 1 37 LYS HB3 H 3.657 8.030 7.020 1.00 . A A . 37 LYS HB3 1 1 10 9358 1 1 37 LYS HD2 H 1.504 9.434 9.864 1.00 . A A . 37 LYS HD2 1 1 10 9359 1 1 37 LYS HD3 H 2.974 10.448 9.770 1.00 . A A . 37 LYS HD3 1 1 10 9360 1 1 37 LYS HE2 H 1.097 11.916 10.117 1.00 . A A . 37 LYS HE2 1 1 10 9361 1 1 37 LYS HE3 H 1.621 12.160 8.405 1.00 . A A . 37 LYS HE3 1 1 10 9362 1 1 37 LYS HG2 H 3.049 10.328 7.330 1.00 . A A . 37 LYS HG2 1 1 10 9363 1 1 37 LYS HG3 H 1.510 9.424 7.248 1.00 . A A . 37 LYS HG3 1 1 10 9364 1 1 37 LYS HZ1 H -0.149 10.586 7.778 1.00 . A A . 37 LYS HZ1 1 1 10 9365 1 1 37 LYS HZ2 H -0.727 11.995 8.535 1.00 . A A . 37 LYS HZ2 1 1 10 9366 1 1 37 LYS HZ3 H -0.667 10.534 9.395 1.00 . A A . 37 LYS HZ3 1 1 10 9367 1 1 37 LYS N N 3.183 5.916 8.710 1.00 . A A . 37 LYS N 1 1 10 9368 1 1 37 LYS NZ N -0.190 11.114 8.673 1.00 . A A . 37 LYS NZ 1 1 10 9369 1 1 37 LYS O O 1.619 6.455 6.278 1.00 . A A . 37 LYS O 1 1 10 9370 1 1 38 CYS C C -2.217 7.468 7.273 1.00 . A A . 38 CYS C 1 1 10 9371 1 1 38 CYS CA C -1.051 6.582 6.931 1.00 . A A . 38 CYS CA 1 1 10 9372 1 1 38 CYS CB C -1.422 5.116 7.250 1.00 . A A . 38 CYS CB 1 1 10 9373 1 1 38 CYS H H -0.231 7.003 8.748 1.00 . A A . 38 CYS H 1 1 10 9374 1 1 38 CYS HA H -0.805 6.743 5.894 1.00 . A A . 38 CYS HA 1 1 10 9375 1 1 38 CYS HB2 H -0.484 4.527 7.143 1.00 . A A . 38 CYS HB2 1 1 10 9376 1 1 38 CYS HB3 H -1.709 5.084 8.332 1.00 . A A . 38 CYS HB3 1 1 10 9377 1 1 38 CYS N N 0.038 6.945 7.782 1.00 . A A . 38 CYS N 1 1 10 9378 1 1 38 CYS O O -2.491 7.797 8.427 1.00 . A A . 38 CYS O 1 1 10 9379 1 1 38 CYS SG S -2.711 4.403 6.174 1.00 . A A . 38 CYS SG 1 1 10 9380 1 1 39 VAL C C -5.119 8.234 5.679 1.00 . A A . 39 VAL C 1 1 10 9381 1 1 39 VAL CA C -3.935 8.916 6.301 1.00 . A A . 39 VAL CA 1 1 10 9382 1 1 39 VAL CB C -3.522 10.104 5.462 1.00 . A A . 39 VAL CB 1 1 10 9383 1 1 39 VAL CG1 C -4.646 11.127 5.323 1.00 . A A . 39 VAL CG1 1 1 10 9384 1 1 39 VAL CG2 C -2.313 10.779 6.125 1.00 . A A . 39 VAL CG2 1 1 10 9385 1 1 39 VAL H H -2.686 7.691 5.273 1.00 . A A . 39 VAL H 1 1 10 9386 1 1 39 VAL HA H -4.162 9.213 7.316 1.00 . A A . 39 VAL HA 1 1 10 9387 1 1 39 VAL HB H -3.235 9.747 4.449 1.00 . A A . 39 VAL HB 1 1 10 9388 1 1 39 VAL HG11 H -5.001 11.433 6.331 1.00 . A A . 39 VAL HG11 1 1 10 9389 1 1 39 VAL HG12 H -5.482 10.714 4.725 1.00 . A A . 39 VAL HG12 1 1 10 9390 1 1 39 VAL HG13 H -4.240 12.014 4.792 1.00 . A A . 39 VAL HG13 1 1 10 9391 1 1 39 VAL HG21 H -2.590 11.093 7.155 1.00 . A A . 39 VAL HG21 1 1 10 9392 1 1 39 VAL HG22 H -2.032 11.686 5.547 1.00 . A A . 39 VAL HG22 1 1 10 9393 1 1 39 VAL HG23 H -1.439 10.099 6.179 1.00 . A A . 39 VAL HG23 1 1 10 9394 1 1 39 VAL N N -2.882 7.950 6.221 1.00 . A A . 39 VAL N 1 1 10 9395 1 1 39 VAL O O -4.951 7.487 4.717 1.00 . A A . 39 VAL O 1 1 10 9396 1 1 40 CYS C C -8.700 8.629 5.928 1.00 . A A . 40 CYS C 1 1 10 9397 1 1 40 CYS CA C -7.503 7.737 5.765 1.00 . A A . 40 CYS CA 1 1 10 9398 1 1 40 CYS CB C -7.628 6.454 6.607 1.00 . A A . 40 CYS CB 1 1 10 9399 1 1 40 CYS H H -6.451 8.931 7.074 1.00 . A A . 40 CYS H 1 1 10 9400 1 1 40 CYS HA H -7.427 7.496 4.722 1.00 . A A . 40 CYS HA 1 1 10 9401 1 1 40 CYS HB2 H -6.637 5.964 6.510 1.00 . A A . 40 CYS HB2 1 1 10 9402 1 1 40 CYS HB3 H -7.755 6.745 7.673 1.00 . A A . 40 CYS HB3 1 1 10 9403 1 1 40 CYS N N -6.333 8.438 6.213 1.00 . A A . 40 CYS N 1 1 10 9404 1 1 40 CYS O O -8.740 9.518 6.785 1.00 . A A . 40 CYS O 1 1 10 9405 1 1 40 CYS SG S -8.863 5.214 6.116 1.00 . A A . 40 CYS SG 1 1 10 9406 1 1 41 ALA C C -11.915 8.843 4.095 1.00 . A A . 41 ALA C 1 1 10 9407 1 1 41 ALA CA C -10.786 9.363 4.956 1.00 . A A . 41 ALA CA 1 1 10 9408 1 1 41 ALA CB C -10.257 10.623 4.242 1.00 . A A . 41 ALA CB 1 1 10 9409 1 1 41 ALA H H -9.578 7.776 4.329 1.00 . A A . 41 ALA H 1 1 10 9410 1 1 41 ALA HA H -11.195 9.595 5.929 1.00 . A A . 41 ALA HA 1 1 10 9411 1 1 41 ALA HB1 H -9.436 11.076 4.832 1.00 . A A . 41 ALA HB1 1 1 10 9412 1 1 41 ALA HB2 H -11.062 11.378 4.112 1.00 . A A . 41 ALA HB2 1 1 10 9413 1 1 41 ALA HB3 H -9.847 10.335 3.246 1.00 . A A . 41 ALA HB3 1 1 10 9414 1 1 41 ALA N N -9.722 8.411 5.093 1.00 . A A . 41 ALA N 1 1 10 9415 1 1 41 ALA O O -11.770 8.006 3.204 1.00 . A A . 41 ALA O 1 1 10 9416 1 1 42 TYR C C -14.882 9.301 2.654 1.00 . A A . 42 TYR C 1 1 10 9417 1 1 42 TYR CA C -14.421 8.900 4.035 1.00 . A A . 42 TYR CA 1 1 10 9418 1 1 42 TYR CB C -15.432 9.454 5.075 1.00 . A A . 42 TYR CB 1 1 10 9419 1 1 42 TYR CD1 C -16.087 11.788 4.255 1.00 . A A . 42 TYR CD1 1 1 10 9420 1 1 42 TYR CD2 C -14.596 11.601 6.144 1.00 . A A . 42 TYR CD2 1 1 10 9421 1 1 42 TYR CE1 C -15.969 13.184 4.292 1.00 . A A . 42 TYR CE1 1 1 10 9422 1 1 42 TYR CE2 C -14.463 12.992 6.171 1.00 . A A . 42 TYR CE2 1 1 10 9423 1 1 42 TYR CG C -15.393 10.972 5.172 1.00 . A A . 42 TYR CG 1 1 10 9424 1 1 42 TYR CZ C -15.152 13.784 5.250 1.00 . A A . 42 TYR CZ 1 1 10 9425 1 1 42 TYR H H -13.132 10.116 5.064 1.00 . A A . 42 TYR H 1 1 10 9426 1 1 42 TYR HA H -14.390 7.827 4.073 1.00 . A A . 42 TYR HA 1 1 10 9427 1 1 42 TYR HB2 H -16.471 9.124 4.858 1.00 . A A . 42 TYR HB2 1 1 10 9428 1 1 42 TYR HB3 H -15.127 9.033 6.054 1.00 . A A . 42 TYR HB3 1 1 10 9429 1 1 42 TYR HD1 H -16.696 11.346 3.484 1.00 . A A . 42 TYR HD1 1 1 10 9430 1 1 42 TYR HD2 H -14.043 11.022 6.866 1.00 . A A . 42 TYR HD2 1 1 10 9431 1 1 42 TYR HE1 H -16.503 13.794 3.578 1.00 . A A . 42 TYR HE1 1 1 10 9432 1 1 42 TYR HE2 H -13.815 13.436 6.907 1.00 . A A . 42 TYR HE2 1 1 10 9433 1 1 42 TYR HH H -14.378 15.374 6.006 1.00 . A A . 42 TYR HH 1 1 10 9434 1 1 42 TYR N N -13.107 9.386 4.390 1.00 . A A . 42 TYR N 1 1 10 9435 1 1 42 TYR O O -16.057 9.177 2.309 1.00 . A A . 42 TYR O 1 1 10 9436 1 1 42 TYR OH O -15.019 15.180 5.293 1.00 . A A . 42 TYR OH 1 1 10 9437 1 1 43 SER C C -14.740 9.954 -0.482 1.00 . A A . 43 SER C 1 1 10 9438 1 1 43 SER CA C -14.017 10.601 0.682 1.00 . A A . 43 SER CA 1 1 10 9439 1 1 43 SER CB C -12.580 10.979 0.225 1.00 . A A . 43 SER CB 1 1 10 9440 1 1 43 SER H H -13.018 9.792 2.294 1.00 . A A . 43 SER H 1 1 10 9441 1 1 43 SER HA H -14.549 11.509 0.909 1.00 . A A . 43 SER HA 1 1 10 9442 1 1 43 SER HB2 H -12.059 10.068 -0.157 1.00 . A A . 43 SER HB2 1 1 10 9443 1 1 43 SER HB3 H -12.617 11.757 -0.568 1.00 . A A . 43 SER HB3 1 1 10 9444 1 1 43 SER HG H -11.018 11.877 0.934 1.00 . A A . 43 SER HG 1 1 10 9445 1 1 43 SER N N -13.925 9.808 1.883 1.00 . A A . 43 SER N 1 1 10 9446 1 1 43 SER O O -15.376 8.907 -0.394 1.00 . A A . 43 SER O 1 1 10 9447 1 1 43 SER OG O -11.817 11.488 1.319 1.00 . A A . 43 SER OG 1 1 10 9448 1 1 44 ASN C C -14.383 10.554 -4.001 1.00 . A A . 44 ASN C 1 1 10 9449 1 1 44 ASN CA C -15.299 10.141 -2.846 1.00 . A A . 44 ASN CA 1 1 10 9450 1 1 44 ASN CB C -16.668 10.843 -2.892 1.00 . A A . 44 ASN CB 1 1 10 9451 1 1 44 ASN CG C -17.521 10.420 -4.075 1.00 . A A . 44 ASN CG 1 1 10 9452 1 1 44 ASN H H -14.203 11.473 -1.709 1.00 . A A . 44 ASN H 1 1 10 9453 1 1 44 ASN HA H -15.421 9.073 -2.831 1.00 . A A . 44 ASN HA 1 1 10 9454 1 1 44 ASN HB2 H -17.192 10.623 -1.944 1.00 . A A . 44 ASN HB2 1 1 10 9455 1 1 44 ASN HB3 H -16.519 11.939 -2.919 1.00 . A A . 44 ASN HB3 1 1 10 9456 1 1 44 ASN HD21 H -17.988 8.577 -3.284 1.00 . A A . 44 ASN HD21 1 1 10 9457 1 1 44 ASN HD22 H -18.685 8.941 -4.810 1.00 . A A . 44 ASN HD22 1 1 10 9458 1 1 44 ASN N N -14.639 10.581 -1.653 1.00 . A A . 44 ASN N 1 1 10 9459 1 1 44 ASN ND2 N -18.101 9.204 -4.044 1.00 . A A . 44 ASN ND2 1 1 10 9460 1 1 44 ASN O O -14.384 11.717 -4.411 1.00 . A A . 44 ASN O 1 1 10 9461 1 1 44 ASN OD1 O -17.679 11.194 -5.024 1.00 . A A . 44 ASN OD1 1 1 10 9462 1 1 45 PRO C C -12.768 8.146 -2.712 1.00 . A A . 45 PRO C 1 1 10 9463 1 1 45 PRO CA C -13.389 8.277 -4.099 1.00 . A A . 45 PRO CA 1 1 10 9464 1 1 45 PRO CB C -12.479 7.696 -5.187 1.00 . A A . 45 PRO CB 1 1 10 9465 1 1 45 PRO CD C -12.545 10.062 -5.512 1.00 . A A . 45 PRO CD 1 1 10 9466 1 1 45 PRO CG C -11.587 8.872 -5.592 1.00 . A A . 45 PRO CG 1 1 10 9467 1 1 45 PRO HA H -14.362 7.825 -4.075 1.00 . A A . 45 PRO HA 1 1 10 9468 1 1 45 PRO HB2 H -11.925 6.802 -4.858 1.00 . A A . 45 PRO HB2 1 1 10 9469 1 1 45 PRO HB3 H -13.103 7.383 -6.046 1.00 . A A . 45 PRO HB3 1 1 10 9470 1 1 45 PRO HD2 H -12.014 10.991 -5.206 1.00 . A A . 45 PRO HD2 1 1 10 9471 1 1 45 PRO HD3 H -13.063 10.216 -6.483 1.00 . A A . 45 PRO HD3 1 1 10 9472 1 1 45 PRO HG2 H -10.779 8.997 -4.842 1.00 . A A . 45 PRO HG2 1 1 10 9473 1 1 45 PRO HG3 H -11.136 8.751 -6.596 1.00 . A A . 45 PRO HG3 1 1 10 9474 1 1 45 PRO N N -13.543 9.667 -4.519 1.00 . A A . 45 PRO N 1 1 10 9475 1 1 45 PRO O O -11.983 9.030 -2.355 1.00 . A A . 45 PRO O 1 1 10 9476 1 1 46 PRO C C -11.100 6.754 -0.562 1.00 . A A . 46 PRO C 1 1 10 9477 1 1 46 PRO CA C -12.578 7.044 -0.527 1.00 . A A . 46 PRO CA 1 1 10 9478 1 1 46 PRO CB C -13.402 5.927 0.113 1.00 . A A . 46 PRO CB 1 1 10 9479 1 1 46 PRO CD C -14.062 6.091 -2.190 1.00 . A A . 46 PRO CD 1 1 10 9480 1 1 46 PRO CG C -13.861 5.074 -1.066 1.00 . A A . 46 PRO CG 1 1 10 9481 1 1 46 PRO HA H -12.704 7.973 -0.003 1.00 . A A . 46 PRO HA 1 1 10 9482 1 1 46 PRO HB2 H -12.841 5.351 0.876 1.00 . A A . 46 PRO HB2 1 1 10 9483 1 1 46 PRO HB3 H -14.303 6.377 0.586 1.00 . A A . 46 PRO HB3 1 1 10 9484 1 1 46 PRO HD2 H -13.831 5.614 -3.182 1.00 . A A . 46 PRO HD2 1 1 10 9485 1 1 46 PRO HD3 H -15.099 6.518 -2.124 1.00 . A A . 46 PRO HD3 1 1 10 9486 1 1 46 PRO HG2 H -13.055 4.366 -1.362 1.00 . A A . 46 PRO HG2 1 1 10 9487 1 1 46 PRO HG3 H -14.792 4.523 -0.822 1.00 . A A . 46 PRO HG3 1 1 10 9488 1 1 46 PRO N N -13.105 7.155 -1.882 1.00 . A A . 46 PRO N 1 1 10 9489 1 1 46 PRO O O -10.610 6.186 -1.534 1.00 . A A . 46 PRO O 1 1 10 9490 1 1 47 GLN C C -8.199 7.139 1.497 1.00 . A A . 47 GLN C 1 1 10 9491 1 1 47 GLN CA C -8.945 7.436 0.240 1.00 . A A . 47 GLN CA 1 1 10 9492 1 1 47 GLN CB C -8.682 8.906 -0.165 1.00 . A A . 47 GLN CB 1 1 10 9493 1 1 47 GLN CD C -7.019 8.496 -2.030 1.00 . A A . 47 GLN CD 1 1 10 9494 1 1 47 GLN CG C -8.382 9.070 -1.657 1.00 . A A . 47 GLN CG 1 1 10 9495 1 1 47 GLN H H -10.731 7.547 1.311 1.00 . A A . 47 GLN H 1 1 10 9496 1 1 47 GLN HA H -8.559 6.765 -0.510 1.00 . A A . 47 GLN HA 1 1 10 9497 1 1 47 GLN HB2 H -9.597 9.496 0.056 1.00 . A A . 47 GLN HB2 1 1 10 9498 1 1 47 GLN HB3 H -7.846 9.364 0.403 1.00 . A A . 47 GLN HB3 1 1 10 9499 1 1 47 GLN HE21 H -7.877 7.752 -3.677 1.00 . A A . 47 GLN HE21 1 1 10 9500 1 1 47 GLN HE22 H -6.136 7.545 -3.593 1.00 . A A . 47 GLN HE22 1 1 10 9501 1 1 47 GLN HG2 H -9.182 8.556 -2.226 1.00 . A A . 47 GLN HG2 1 1 10 9502 1 1 47 GLN HG3 H -8.395 10.148 -1.901 1.00 . A A . 47 GLN HG3 1 1 10 9503 1 1 47 GLN N N -10.351 7.222 0.443 1.00 . A A . 47 GLN N 1 1 10 9504 1 1 47 GLN NE2 N -7.004 7.853 -3.214 1.00 . A A . 47 GLN NE2 1 1 10 9505 1 1 47 GLN O O -8.389 7.801 2.515 1.00 . A A . 47 GLN O 1 1 10 9506 1 1 47 GLN OE1 O -6.011 8.614 -1.329 1.00 . A A . 47 GLN OE1 1 1 10 9507 1 1 48 CYS C C -5.330 5.036 2.045 1.00 . A A . 48 CYS C 1 1 10 9508 1 1 48 CYS CA C -6.560 5.713 2.584 1.00 . A A . 48 CYS CA 1 1 10 9509 1 1 48 CYS CB C -7.333 4.683 3.462 1.00 . A A . 48 CYS CB 1 1 10 9510 1 1 48 CYS H H -7.163 5.576 0.640 1.00 . A A . 48 CYS H 1 1 10 9511 1 1 48 CYS HA H -6.246 6.565 3.153 1.00 . A A . 48 CYS HA 1 1 10 9512 1 1 48 CYS HB2 H -7.523 3.785 2.836 1.00 . A A . 48 CYS HB2 1 1 10 9513 1 1 48 CYS HB3 H -6.671 4.394 4.306 1.00 . A A . 48 CYS HB3 1 1 10 9514 1 1 48 CYS N N -7.286 6.159 1.436 1.00 . A A . 48 CYS N 1 1 10 9515 1 1 48 CYS O O -5.394 4.071 1.280 1.00 . A A . 48 CYS O 1 1 10 9516 1 1 48 CYS SG S -8.944 5.276 4.090 1.00 . A A . 48 CYS SG 1 1 10 9517 1 1 49 GLN C C -1.812 5.415 2.922 1.00 . A A . 49 GLN C 1 1 10 9518 1 1 49 GLN CA C -2.896 5.138 1.909 1.00 . A A . 49 GLN CA 1 1 10 9519 1 1 49 GLN CB C -2.492 5.759 0.548 1.00 . A A . 49 GLN CB 1 1 10 9520 1 1 49 GLN CD C -1.671 7.741 -0.784 1.00 . A A . 49 GLN CD 1 1 10 9521 1 1 49 GLN CG C -2.214 7.274 0.569 1.00 . A A . 49 GLN CG 1 1 10 9522 1 1 49 GLN H H -4.138 6.366 3.027 1.00 . A A . 49 GLN H 1 1 10 9523 1 1 49 GLN HA H -2.955 4.069 1.819 1.00 . A A . 49 GLN HA 1 1 10 9524 1 1 49 GLN HB2 H -1.568 5.268 0.186 1.00 . A A . 49 GLN HB2 1 1 10 9525 1 1 49 GLN HB3 H -3.307 5.569 -0.181 1.00 . A A . 49 GLN HB3 1 1 10 9526 1 1 49 GLN HE21 H -0.091 8.619 0.131 1.00 . A A . 49 GLN HE21 1 1 10 9527 1 1 49 GLN HE22 H -0.034 8.585 -1.615 1.00 . A A . 49 GLN HE22 1 1 10 9528 1 1 49 GLN HG2 H -3.159 7.808 0.793 1.00 . A A . 49 GLN HG2 1 1 10 9529 1 1 49 GLN HG3 H -1.463 7.484 1.353 1.00 . A A . 49 GLN HG3 1 1 10 9530 1 1 49 GLN N N -4.163 5.598 2.392 1.00 . A A . 49 GLN N 1 1 10 9531 1 1 49 GLN NE2 N -0.494 8.406 -0.752 1.00 . A A . 49 GLN NE2 1 1 10 9532 1 1 49 GLN O O -1.875 6.344 3.729 1.00 . A A . 49 GLN O 1 1 10 9533 1 1 49 GLN OE1 O -2.253 7.501 -1.841 1.00 . A A . 49 GLN OE1 1 1 10 9534 1 1 50 CYS C C 1.393 5.681 3.035 1.00 . A A . 50 CYS C 1 1 10 9535 1 1 50 CYS CA C 0.427 4.717 3.687 1.00 . A A . 50 CYS CA 1 1 10 9536 1 1 50 CYS CB C 1.174 3.370 3.814 1.00 . A A . 50 CYS CB 1 1 10 9537 1 1 50 CYS H H -0.746 3.879 2.170 1.00 . A A . 50 CYS H 1 1 10 9538 1 1 50 CYS HA H 0.164 5.115 4.659 1.00 . A A . 50 CYS HA 1 1 10 9539 1 1 50 CYS HB2 H 1.399 2.977 2.798 1.00 . A A . 50 CYS HB2 1 1 10 9540 1 1 50 CYS HB3 H 2.161 3.533 4.298 1.00 . A A . 50 CYS HB3 1 1 10 9541 1 1 50 CYS N N -0.757 4.586 2.867 1.00 . A A . 50 CYS N 1 1 10 9542 1 1 50 CYS O O 2.171 5.298 2.173 1.00 . A A . 50 CYS O 1 1 10 9543 1 1 50 CYS SG S 0.240 2.115 4.730 1.00 . A A . 50 CYS SG 1 1 10 9544 1 1 51 TYR C C 3.635 7.796 2.848 1.00 . A A . 51 TYR C 1 1 10 9545 1 1 51 TYR CA C 2.146 8.050 2.899 1.00 . A A . 51 TYR CA 1 1 10 9546 1 1 51 TYR CB C 1.834 9.385 3.621 1.00 . A A . 51 TYR CB 1 1 10 9547 1 1 51 TYR CD1 C -0.518 9.990 2.893 1.00 . A A . 51 TYR CD1 1 1 10 9548 1 1 51 TYR CD2 C 1.351 10.954 1.706 1.00 . A A . 51 TYR CD2 1 1 10 9549 1 1 51 TYR CE1 C -1.401 10.630 2.017 1.00 . A A . 51 TYR CE1 1 1 10 9550 1 1 51 TYR CE2 C 0.472 11.586 0.825 1.00 . A A . 51 TYR CE2 1 1 10 9551 1 1 51 TYR CG C 0.871 10.152 2.756 1.00 . A A . 51 TYR CG 1 1 10 9552 1 1 51 TYR CZ C -0.906 11.417 0.971 1.00 . A A . 51 TYR CZ 1 1 10 9553 1 1 51 TYR H H 0.859 7.147 4.282 1.00 . A A . 51 TYR H 1 1 10 9554 1 1 51 TYR HA H 1.893 8.117 1.853 1.00 . A A . 51 TYR HA 1 1 10 9555 1 1 51 TYR HB2 H 1.392 9.216 4.624 1.00 . A A . 51 TYR HB2 1 1 10 9556 1 1 51 TYR HB3 H 2.744 10.007 3.771 1.00 . A A . 51 TYR HB3 1 1 10 9557 1 1 51 TYR HD1 H -0.933 9.346 3.651 1.00 . A A . 51 TYR HD1 1 1 10 9558 1 1 51 TYR HD2 H 2.404 11.086 1.524 1.00 . A A . 51 TYR HD2 1 1 10 9559 1 1 51 TYR HE1 H -2.459 10.482 2.158 1.00 . A A . 51 TYR HE1 1 1 10 9560 1 1 51 TYR HE2 H 0.894 12.179 0.030 1.00 . A A . 51 TYR HE2 1 1 10 9561 1 1 51 TYR HH H -2.672 11.637 0.238 1.00 . A A . 51 TYR HH 1 1 10 9562 1 1 51 TYR N N 1.340 6.962 3.429 1.00 . A A . 51 TYR N 1 1 10 9563 1 1 51 TYR O O 4.316 8.096 1.875 1.00 . A A . 51 TYR O 1 1 10 9564 1 1 51 TYR OH O -1.786 11.981 0.029 1.00 . A A . 51 TYR OH 1 1 10 9565 1 1 52 ASP C C 5.996 5.748 3.080 1.00 . A A . 52 ASP C 1 1 10 9566 1 1 52 ASP CA C 5.570 6.860 4.037 1.00 . A A . 52 ASP CA 1 1 10 9567 1 1 52 ASP CB C 6.007 6.558 5.502 1.00 . A A . 52 ASP CB 1 1 10 9568 1 1 52 ASP CG C 5.413 5.327 6.188 1.00 . A A . 52 ASP CG 1 1 10 9569 1 1 52 ASP H H 3.537 7.033 4.693 1.00 . A A . 52 ASP H 1 1 10 9570 1 1 52 ASP HA H 6.127 7.742 3.733 1.00 . A A . 52 ASP HA 1 1 10 9571 1 1 52 ASP HB2 H 7.112 6.464 5.546 1.00 . A A . 52 ASP HB2 1 1 10 9572 1 1 52 ASP HB3 H 5.734 7.435 6.122 1.00 . A A . 52 ASP HB3 1 1 10 9573 1 1 52 ASP HD2 H 4.352 4.942 4.619 1.00 . A A . 52 ASP HD2 1 1 10 9574 1 1 52 ASP N N 4.165 7.215 3.938 1.00 . A A . 52 ASP N 1 1 10 9575 1 1 52 ASP O O 5.597 4.591 3.223 1.00 . A A . 52 ASP O 1 1 10 9576 1 1 52 ASP OD1 O 5.817 4.835 7.224 1.00 . A A . 52 ASP OD1 1 1 10 9577 1 1 52 ASP OD2 O 4.300 4.784 5.572 1.00 . A A . 52 ASP OD2 1 1 10 9578 1 1 53 THR C C 8.633 4.611 1.596 1.00 . A A . 53 THR C 1 1 10 9579 1 1 53 THR CA C 7.340 5.190 1.084 1.00 . A A . 53 THR CA 1 1 10 9580 1 1 53 THR CB C 7.518 5.905 -0.251 1.00 . A A . 53 THR CB 1 1 10 9581 1 1 53 THR CG2 C 8.150 5.038 -1.343 1.00 . A A . 53 THR CG2 1 1 10 9582 1 1 53 THR H H 7.092 7.053 1.980 1.00 . A A . 53 THR H 1 1 10 9583 1 1 53 THR HA H 6.641 4.383 0.967 1.00 . A A . 53 THR HA 1 1 10 9584 1 1 53 THR HB H 8.139 6.822 -0.125 1.00 . A A . 53 THR HB 1 1 10 9585 1 1 53 THR HG1 H 6.355 7.110 -1.215 1.00 . A A . 53 THR HG1 1 1 10 9586 1 1 53 THR HG21 H 8.083 5.566 -2.318 1.00 . A A . 53 THR HG21 1 1 10 9587 1 1 53 THR HG22 H 7.634 4.063 -1.430 1.00 . A A . 53 THR HG22 1 1 10 9588 1 1 53 THR HG23 H 9.221 4.879 -1.138 1.00 . A A . 53 THR HG23 1 1 10 9589 1 1 53 THR N N 6.819 6.097 2.088 1.00 . A A . 53 THR N 1 1 10 9590 1 1 53 THR O O 9.599 5.329 1.853 1.00 . A A . 53 THR O 1 1 10 9591 1 1 53 THR OG1 O 6.237 6.272 -0.731 1.00 . A A . 53 THR OG1 1 1 10 9592 1 1 54 HIS C C 10.190 1.344 2.200 1.00 . A A . 54 HIS C 1 1 10 9593 1 1 54 HIS CA C 9.779 2.732 2.621 1.00 . A A . 54 HIS CA 1 1 10 9594 1 1 54 HIS CB C 9.549 2.813 4.147 1.00 . A A . 54 HIS CB 1 1 10 9595 1 1 54 HIS CD2 C 12.078 2.353 4.598 1.00 . A A . 54 HIS CD2 1 1 10 9596 1 1 54 HIS CE1 C 11.953 2.431 6.775 1.00 . A A . 54 HIS CE1 1 1 10 9597 1 1 54 HIS CG C 10.785 2.561 4.949 1.00 . A A . 54 HIS CG 1 1 10 9598 1 1 54 HIS H H 8.011 2.641 1.481 1.00 . A A . 54 HIS H 1 1 10 9599 1 1 54 HIS HA H 10.655 3.318 2.400 1.00 . A A . 54 HIS HA 1 1 10 9600 1 1 54 HIS HB2 H 9.242 3.851 4.406 1.00 . A A . 54 HIS HB2 1 1 10 9601 1 1 54 HIS HB3 H 8.744 2.137 4.496 1.00 . A A . 54 HIS HB3 1 1 10 9602 1 1 54 HIS HD1 H 9.923 2.773 6.864 1.00 . A A . 54 HIS HD1 1 1 10 9603 1 1 54 HIS HD2 H 12.543 2.285 3.620 1.00 . A A . 54 HIS HD2 1 1 10 9604 1 1 54 HIS HE1 H 12.195 2.441 7.812 1.00 . A A . 54 HIS HE1 1 1 10 9605 1 1 54 HIS HE2 H 13.782 2.153 5.840 1.00 . A A . 54 HIS HE2 1 1 10 9606 1 1 54 HIS N N 8.679 3.282 1.852 1.00 . A A . 54 HIS N 1 1 10 9607 1 1 54 HIS ND1 N 10.735 2.604 6.309 1.00 . A A . 54 HIS ND1 1 1 10 9608 1 1 54 HIS NE2 N 12.789 2.272 5.762 1.00 . A A . 54 HIS NE2 1 1 10 9609 1 1 54 HIS O O 11.246 1.167 1.607 1.00 . A A . 54 HIS O 1 1 10 9610 1 1 55 LYS C C 9.632 -1.613 1.026 1.00 . A A . 55 LYS C 1 1 10 9611 1 1 55 LYS CA C 9.828 -1.056 2.431 1.00 . A A . 55 LYS CA 1 1 10 9612 1 1 55 LYS CB C 9.072 -1.905 3.486 1.00 . A A . 55 LYS CB 1 1 10 9613 1 1 55 LYS CD C 7.822 -0.682 5.366 1.00 . A A . 55 LYS CD 1 1 10 9614 1 1 55 LYS CE C 7.891 0.016 6.734 1.00 . A A . 55 LYS CE 1 1 10 9615 1 1 55 LYS CG C 9.135 -1.351 4.924 1.00 . A A . 55 LYS CG 1 1 10 9616 1 1 55 LYS H H 8.513 0.404 2.975 1.00 . A A . 55 LYS H 1 1 10 9617 1 1 55 LYS HA H 10.885 -1.096 2.629 1.00 . A A . 55 LYS HA 1 1 10 9618 1 1 55 LYS HB2 H 8.000 -1.976 3.193 1.00 . A A . 55 LYS HB2 1 1 10 9619 1 1 55 LYS HB3 H 9.505 -2.930 3.516 1.00 . A A . 55 LYS HB3 1 1 10 9620 1 1 55 LYS HD2 H 7.509 0.066 4.610 1.00 . A A . 55 LYS HD2 1 1 10 9621 1 1 55 LYS HD3 H 7.028 -1.464 5.401 1.00 . A A . 55 LYS HD3 1 1 10 9622 1 1 55 LYS HE2 H 8.663 0.813 6.726 1.00 . A A . 55 LYS HE2 1 1 10 9623 1 1 55 LYS HE3 H 6.904 0.468 6.974 1.00 . A A . 55 LYS HE3 1 1 10 9624 1 1 55 LYS HG2 H 9.331 -2.214 5.605 1.00 . A A . 55 LYS HG2 1 1 10 9625 1 1 55 LYS HG3 H 9.990 -0.651 5.032 1.00 . A A . 55 LYS HG3 1 1 10 9626 1 1 55 LYS HZ1 H 8.156 -0.480 8.739 1.00 . A A . 55 LYS HZ1 1 1 10 9627 1 1 55 LYS HZ2 H 9.194 -1.299 7.677 1.00 . A A . 55 LYS HZ2 1 1 10 9628 1 1 55 LYS HZ3 H 7.564 -1.747 7.775 1.00 . A A . 55 LYS HZ3 1 1 10 9629 1 1 55 LYS N N 9.401 0.314 2.547 1.00 . A A . 55 LYS N 1 1 10 9630 1 1 55 LYS NZ N 8.225 -0.945 7.811 1.00 . A A . 55 LYS NZ 1 1 10 9631 1 1 55 LYS O O 9.502 -0.882 0.046 1.00 . A A . 55 LYS O 1 1 10 9632 1 1 56 PHE C C 7.906 -3.629 -0.779 1.00 . A A . 56 PHE C 1 1 10 9633 1 1 56 PHE CA C 9.381 -3.635 -0.366 1.00 . A A . 56 PHE CA 1 1 10 9634 1 1 56 PHE CB C 9.986 -5.075 -0.341 1.00 . A A . 56 PHE CB 1 1 10 9635 1 1 56 PHE CD1 C 9.928 -5.812 2.102 1.00 . A A . 56 PHE CD1 1 1 10 9636 1 1 56 PHE CD2 C 8.406 -6.839 0.533 1.00 . A A . 56 PHE CD2 1 1 10 9637 1 1 56 PHE CE1 C 9.364 -6.562 3.140 1.00 . A A . 56 PHE CE1 1 1 10 9638 1 1 56 PHE CE2 C 7.851 -7.602 1.565 1.00 . A A . 56 PHE CE2 1 1 10 9639 1 1 56 PHE CG C 9.435 -5.919 0.787 1.00 . A A . 56 PHE CG 1 1 10 9640 1 1 56 PHE CZ C 8.318 -7.452 2.874 1.00 . A A . 56 PHE CZ 1 1 10 9641 1 1 56 PHE H H 9.690 -3.531 1.691 1.00 . A A . 56 PHE H 1 1 10 9642 1 1 56 PHE HA H 9.912 -3.091 -1.136 1.00 . A A . 56 PHE HA 1 1 10 9643 1 1 56 PHE HB2 H 9.805 -5.598 -1.305 1.00 . A A . 56 PHE HB2 1 1 10 9644 1 1 56 PHE HB3 H 11.088 -5.011 -0.212 1.00 . A A . 56 PHE HB3 1 1 10 9645 1 1 56 PHE HD1 H 10.741 -5.142 2.337 1.00 . A A . 56 PHE HD1 1 1 10 9646 1 1 56 PHE HD2 H 8.028 -6.966 -0.471 1.00 . A A . 56 PHE HD2 1 1 10 9647 1 1 56 PHE HE1 H 9.747 -6.454 4.144 1.00 . A A . 56 PHE HE1 1 1 10 9648 1 1 56 PHE HE2 H 7.068 -8.312 1.339 1.00 . A A . 56 PHE HE2 1 1 10 9649 1 1 56 PHE HZ H 7.889 -8.040 3.673 1.00 . A A . 56 PHE HZ 1 1 10 9650 1 1 56 PHE N N 9.592 -2.948 0.892 1.00 . A A . 56 PHE N 1 1 10 9651 1 1 56 PHE O O 7.023 -3.169 -0.051 1.00 . A A . 56 PHE O 1 1 10 9652 1 1 57 CYS C C 5.686 -5.619 -1.801 1.00 . A A . 57 CYS C 1 1 10 9653 1 1 57 CYS CA C 6.210 -4.330 -2.399 1.00 . A A . 57 CYS CA 1 1 10 9654 1 1 57 CYS CB C 6.054 -4.332 -3.939 1.00 . A A . 57 CYS CB 1 1 10 9655 1 1 57 CYS H H 8.286 -4.467 -2.616 1.00 . A A . 57 CYS H 1 1 10 9656 1 1 57 CYS HA H 5.613 -3.521 -2.007 1.00 . A A . 57 CYS HA 1 1 10 9657 1 1 57 CYS HB2 H 6.585 -3.435 -4.320 1.00 . A A . 57 CYS HB2 1 1 10 9658 1 1 57 CYS HB3 H 6.563 -5.221 -4.370 1.00 . A A . 57 CYS HB3 1 1 10 9659 1 1 57 CYS N N 7.585 -4.135 -1.987 1.00 . A A . 57 CYS N 1 1 10 9660 1 1 57 CYS O O 6.108 -6.717 -2.148 1.00 . A A . 57 CYS O 1 1 10 9661 1 1 57 CYS SG S 4.325 -4.292 -4.518 1.00 . A A . 57 CYS SG 1 1 10 9662 1 1 58 TYR C C 3.419 -7.566 -0.878 1.00 . A A . 58 TYR C 1 1 10 9663 1 1 58 TYR CA C 4.247 -6.594 -0.057 1.00 . A A . 58 TYR CA 1 1 10 9664 1 1 58 TYR CB C 3.343 -6.074 1.096 1.00 . A A . 58 TYR CB 1 1 10 9665 1 1 58 TYR CD1 C 4.659 -6.736 3.126 1.00 . A A . 58 TYR CD1 1 1 10 9666 1 1 58 TYR CD2 C 2.463 -7.704 2.823 1.00 . A A . 58 TYR CD2 1 1 10 9667 1 1 58 TYR CE1 C 4.783 -7.402 4.348 1.00 . A A . 58 TYR CE1 1 1 10 9668 1 1 58 TYR CE2 C 2.592 -8.378 4.039 1.00 . A A . 58 TYR CE2 1 1 10 9669 1 1 58 TYR CG C 3.496 -6.876 2.352 1.00 . A A . 58 TYR CG 1 1 10 9670 1 1 58 TYR CZ C 3.751 -8.229 4.802 1.00 . A A . 58 TYR CZ 1 1 10 9671 1 1 58 TYR H H 4.529 -4.558 -0.569 1.00 . A A . 58 TYR H 1 1 10 9672 1 1 58 TYR HA H 5.084 -7.152 0.341 1.00 . A A . 58 TYR HA 1 1 10 9673 1 1 58 TYR HB2 H 3.620 -5.043 1.371 1.00 . A A . 58 TYR HB2 1 1 10 9674 1 1 58 TYR HB3 H 2.277 -6.071 0.789 1.00 . A A . 58 TYR HB3 1 1 10 9675 1 1 58 TYR HD1 H 5.465 -6.098 2.797 1.00 . A A . 58 TYR HD1 1 1 10 9676 1 1 58 TYR HD2 H 1.536 -7.816 2.285 1.00 . A A . 58 TYR HD2 1 1 10 9677 1 1 58 TYR HE1 H 5.681 -7.264 4.929 1.00 . A A . 58 TYR HE1 1 1 10 9678 1 1 58 TYR HE2 H 1.774 -8.997 4.365 1.00 . A A . 58 TYR HE2 1 1 10 9679 1 1 58 TYR HH H 3.157 -9.520 6.117 1.00 . A A . 58 TYR HH 1 1 10 9680 1 1 58 TYR N N 4.774 -5.482 -0.828 1.00 . A A . 58 TYR N 1 1 10 9681 1 1 58 TYR O O 3.052 -7.319 -2.024 1.00 . A A . 58 TYR O 1 1 10 9682 1 1 58 TYR OH O 3.881 -8.890 6.033 1.00 . A A . 58 TYR OH 1 1 10 9683 1 1 59 LYS C C 0.731 -9.013 -1.081 1.00 . A A . 59 LYS C 1 1 10 9684 1 1 59 LYS CA C 2.072 -9.635 -0.710 1.00 . A A . 59 LYS CA 1 1 10 9685 1 1 59 LYS CB C 1.832 -10.770 0.307 1.00 . A A . 59 LYS CB 1 1 10 9686 1 1 59 LYS CD C 3.281 -12.741 -0.559 1.00 . A A . 59 LYS CD 1 1 10 9687 1 1 59 LYS CE C 4.228 -12.278 -1.676 1.00 . A A . 59 LYS CE 1 1 10 9688 1 1 59 LYS CG C 3.024 -11.712 0.557 1.00 . A A . 59 LYS CG 1 1 10 9689 1 1 59 LYS H H 3.424 -8.837 0.662 1.00 . A A . 59 LYS H 1 1 10 9690 1 1 59 LYS HA H 2.446 -10.057 -1.625 1.00 . A A . 59 LYS HA 1 1 10 9691 1 1 59 LYS HB2 H 1.541 -10.310 1.277 1.00 . A A . 59 LYS HB2 1 1 10 9692 1 1 59 LYS HB3 H 0.972 -11.390 -0.035 1.00 . A A . 59 LYS HB3 1 1 10 9693 1 1 59 LYS HD2 H 3.749 -13.630 -0.079 1.00 . A A . 59 LYS HD2 1 1 10 9694 1 1 59 LYS HD3 H 2.312 -13.075 -0.988 1.00 . A A . 59 LYS HD3 1 1 10 9695 1 1 59 LYS HE2 H 3.822 -11.412 -2.232 1.00 . A A . 59 LYS HE2 1 1 10 9696 1 1 59 LYS HE3 H 5.218 -12.004 -1.255 1.00 . A A . 59 LYS HE3 1 1 10 9697 1 1 59 LYS HG2 H 3.961 -11.163 0.781 1.00 . A A . 59 LYS HG2 1 1 10 9698 1 1 59 LYS HG3 H 2.769 -12.292 1.475 1.00 . A A . 59 LYS HG3 1 1 10 9699 1 1 59 LYS HZ1 H 4.801 -14.207 -2.173 1.00 . A A . 59 LYS HZ1 1 1 10 9700 1 1 59 LYS HZ2 H 5.139 -13.051 -3.371 1.00 . A A . 59 LYS HZ2 1 1 10 9701 1 1 59 LYS HZ3 H 3.541 -13.583 -3.129 1.00 . A A . 59 LYS HZ3 1 1 10 9702 1 1 59 LYS N N 3.077 -8.698 -0.254 1.00 . A A . 59 LYS N 1 1 10 9703 1 1 59 LYS NZ N 4.444 -13.360 -2.660 1.00 . A A . 59 LYS NZ 1 1 10 9704 1 1 59 LYS O O 0.259 -8.026 -0.499 1.00 . A A . 59 LYS O 1 1 10 9705 1 1 60 ALA C C -2.310 -9.958 -2.237 1.00 . A A . 60 ALA C 1 1 10 9706 1 1 60 ALA CA C -1.127 -9.126 -2.660 1.00 . A A . 60 ALA CA 1 1 10 9707 1 1 60 ALA CB C -0.983 -9.153 -4.181 1.00 . A A . 60 ALA CB 1 1 10 9708 1 1 60 ALA H H 0.471 -10.419 -2.535 1.00 . A A . 60 ALA H 1 1 10 9709 1 1 60 ALA HA H -1.322 -8.112 -2.345 1.00 . A A . 60 ALA HA 1 1 10 9710 1 1 60 ALA HB1 H -0.166 -8.460 -4.474 1.00 . A A . 60 ALA HB1 1 1 10 9711 1 1 60 ALA HB2 H -1.924 -8.850 -4.683 1.00 . A A . 60 ALA HB2 1 1 10 9712 1 1 60 ALA HB3 H -0.700 -10.177 -4.504 1.00 . A A . 60 ALA HB3 1 1 10 9713 1 1 60 ALA N N 0.090 -9.610 -2.091 1.00 . A A . 60 ALA N 1 1 10 9714 1 1 60 ALA O O -2.441 -11.144 -2.541 1.00 . A A . 60 ALA O 1 1 10 9715 1 1 61 CYS C C -5.474 -9.806 -2.377 1.00 . A A . 61 CYS C 1 1 10 9716 1 1 61 CYS CA C -4.525 -9.871 -1.198 1.00 . A A . 61 CYS CA 1 1 10 9717 1 1 61 CYS CB C -5.137 -9.162 0.046 1.00 . A A . 61 CYS CB 1 1 10 9718 1 1 61 CYS H H -3.100 -8.384 -1.233 1.00 . A A . 61 CYS H 1 1 10 9719 1 1 61 CYS HA H -4.396 -10.911 -0.944 1.00 . A A . 61 CYS HA 1 1 10 9720 1 1 61 CYS HB2 H -6.005 -9.757 0.403 1.00 . A A . 61 CYS HB2 1 1 10 9721 1 1 61 CYS HB3 H -4.363 -9.193 0.839 1.00 . A A . 61 CYS HB3 1 1 10 9722 1 1 61 CYS N N -3.239 -9.321 -1.517 1.00 . A A . 61 CYS N 1 1 10 9723 1 1 61 CYS O O -5.112 -9.540 -3.518 1.00 . A A . 61 CYS O 1 1 10 9724 1 1 61 CYS SG S -5.657 -7.420 -0.170 1.00 . A A . 61 CYS SG 1 1 10 9725 1 1 62 HIS C C -8.847 -9.033 -2.198 1.00 . A A . 62 HIS C 1 1 10 9726 1 1 62 HIS CA C -7.835 -9.814 -3.013 1.00 . A A . 62 HIS CA 1 1 10 9727 1 1 62 HIS CB C -8.435 -11.151 -3.493 1.00 . A A . 62 HIS CB 1 1 10 9728 1 1 62 HIS CD2 C -6.780 -13.090 -3.074 1.00 . A A . 62 HIS CD2 1 1 10 9729 1 1 62 HIS CE1 C -5.643 -12.931 -4.929 1.00 . A A . 62 HIS CE1 1 1 10 9730 1 1 62 HIS CG C -7.351 -12.130 -3.839 1.00 . A A . 62 HIS CG 1 1 10 9731 1 1 62 HIS H H -7.001 -10.405 -1.197 1.00 . A A . 62 HIS H 1 1 10 9732 1 1 62 HIS HA H -7.490 -9.205 -3.841 1.00 . A A . 62 HIS HA 1 1 10 9733 1 1 62 HIS HB2 H -9.026 -11.616 -2.678 1.00 . A A . 62 HIS HB2 1 1 10 9734 1 1 62 HIS HB3 H -9.097 -10.998 -4.365 1.00 . A A . 62 HIS HB3 1 1 10 9735 1 1 62 HIS HD1 H -6.736 -11.363 -5.712 1.00 . A A . 62 HIS HD1 1 1 10 9736 1 1 62 HIS HD2 H -7.034 -13.407 -2.069 1.00 . A A . 62 HIS HD2 1 1 10 9737 1 1 62 HIS HE1 H -4.911 -13.078 -5.694 1.00 . A A . 62 HIS HE1 1 1 10 9738 1 1 62 HIS HE2 H -5.082 -14.293 -3.465 1.00 . A A . 62 HIS HE2 1 1 10 9739 1 1 62 HIS N N -6.748 -10.072 -2.109 1.00 . A A . 62 HIS N 1 1 10 9740 1 1 62 HIS ND1 N -6.620 -12.042 -4.988 1.00 . A A . 62 HIS ND1 1 1 10 9741 1 1 62 HIS NE2 N -5.717 -13.584 -3.777 1.00 . A A . 62 HIS NE2 1 1 10 9742 1 1 62 HIS O O -8.738 -8.976 -0.977 1.00 . A A . 62 HIS O 1 1 10 9743 1 1 63 ASN C C -11.892 -7.240 -3.181 1.00 . A A . 63 ASN C 1 1 10 9744 1 1 63 ASN CA C -10.906 -7.701 -2.141 1.00 . A A . 63 ASN CA 1 1 10 9745 1 1 63 ASN CB C -10.459 -6.516 -1.218 1.00 . A A . 63 ASN CB 1 1 10 9746 1 1 63 ASN CG C -9.533 -5.484 -1.861 1.00 . A A . 63 ASN CG 1 1 10 9747 1 1 63 ASN H H -9.951 -8.400 -3.808 1.00 . A A . 63 ASN H 1 1 10 9748 1 1 63 ASN HA H -11.428 -8.424 -1.548 1.00 . A A . 63 ASN HA 1 1 10 9749 1 1 63 ASN HB2 H -11.364 -5.978 -0.884 1.00 . A A . 63 ASN HB2 1 1 10 9750 1 1 63 ASN HB3 H -9.984 -6.939 -0.317 1.00 . A A . 63 ASN HB3 1 1 10 9751 1 1 63 ASN HD21 H -7.837 -6.597 -1.568 1.00 . A A . 63 ASN HD21 1 1 10 9752 1 1 63 ASN HD22 H -7.699 -5.260 -2.646 1.00 . A A . 63 ASN HD22 1 1 10 9753 1 1 63 ASN N N -9.861 -8.419 -2.827 1.00 . A A . 63 ASN N 1 1 10 9754 1 1 63 ASN ND2 N -8.218 -5.768 -1.960 1.00 . A A . 63 ASN ND2 1 1 10 9755 1 1 63 ASN O O -13.035 -7.679 -3.207 1.00 . A A . 63 ASN O 1 1 10 9756 1 1 63 ASN OD1 O -10.011 -4.443 -2.320 1.00 . A A . 63 ASN OD1 1 1 10 9757 1 1 64 SER C C -11.930 -6.844 -6.426 1.00 . A A . 64 SER C 1 1 10 9758 1 1 64 SER CA C -12.208 -5.930 -5.250 1.00 . A A . 64 SER CA 1 1 10 9759 1 1 64 SER CB C -11.867 -4.459 -5.591 1.00 . A A . 64 SER CB 1 1 10 9760 1 1 64 SER H H -10.530 -5.993 -3.949 1.00 . A A . 64 SER H 1 1 10 9761 1 1 64 SER HA H -13.265 -6.000 -5.033 1.00 . A A . 64 SER HA 1 1 10 9762 1 1 64 SER HB2 H -11.902 -3.877 -4.642 1.00 . A A . 64 SER HB2 1 1 10 9763 1 1 64 SER HB3 H -10.832 -4.373 -5.990 1.00 . A A . 64 SER HB3 1 1 10 9764 1 1 64 SER HG H -12.393 -3.925 -7.385 1.00 . A A . 64 SER HG 1 1 10 9765 1 1 64 SER N N -11.444 -6.377 -4.094 1.00 . A A . 64 SER N 1 1 10 9766 1 1 64 SER O O -12.791 -7.124 -7.255 1.00 . A A . 64 SER O 1 1 10 9767 1 1 64 SER OG O -12.809 -3.886 -6.500 1.00 . A A . 64 SER OG 1 1 10 9768 1 1 65 GLU C C -10.876 -9.812 -7.254 1.00 . A A . 65 GLU C 1 1 10 9769 1 1 65 GLU CA C -10.176 -8.445 -7.338 1.00 . A A . 65 GLU CA 1 1 10 9770 1 1 65 GLU CB C -8.654 -8.592 -7.070 1.00 . A A . 65 GLU CB 1 1 10 9771 1 1 65 GLU CD C -6.290 -9.020 -7.816 1.00 . A A . 65 GLU CD 1 1 10 9772 1 1 65 GLU CG C -7.763 -9.299 -8.124 1.00 . A A . 65 GLU CG 1 1 10 9773 1 1 65 GLU H H -10.031 -6.926 -5.887 1.00 . A A . 65 GLU H 1 1 10 9774 1 1 65 GLU HA H -10.316 -8.111 -8.348 1.00 . A A . 65 GLU HA 1 1 10 9775 1 1 65 GLU HB2 H -8.240 -7.564 -7.015 1.00 . A A . 65 GLU HB2 1 1 10 9776 1 1 65 GLU HB3 H -8.510 -9.067 -6.077 1.00 . A A . 65 GLU HB3 1 1 10 9777 1 1 65 GLU HE2 H -5.130 -8.883 -6.263 1.00 . A A . 65 GLU HE2 1 1 10 9778 1 1 65 GLU HG2 H -7.927 -10.394 -8.130 1.00 . A A . 65 GLU HG2 1 1 10 9779 1 1 65 GLU HG3 H -7.976 -8.898 -9.135 1.00 . A A . 65 GLU HG3 1 1 10 9780 1 1 65 GLU N N -10.689 -7.360 -6.500 1.00 . A A . 65 GLU N 1 1 10 9781 1 1 65 GLU O O -10.246 -10.862 -7.348 1.00 . A A . 65 GLU O 1 1 10 9782 1 1 65 GLU OE1 O -5.471 -8.546 -8.582 1.00 . A A . 65 GLU OE1 1 1 10 9783 1 1 65 GLU OE2 O -5.966 -9.304 -6.514 1.00 . A A . 65 GLU OE2 1 1 10 9784 1 1 66 ILE C C -14.456 -10.572 -7.519 1.00 . A A . 66 ILE C 1 1 10 9785 1 1 66 ILE CA C -13.065 -11.009 -7.103 1.00 . A A . 66 ILE CA 1 1 10 9786 1 1 66 ILE CB C -13.209 -11.700 -5.737 1.00 . A A . 66 ILE CB 1 1 10 9787 1 1 66 ILE CD1 C -13.997 -11.448 -3.295 1.00 . A A . 66 ILE CD1 1 1 10 9788 1 1 66 ILE CG1 C -13.642 -10.734 -4.605 1.00 . A A . 66 ILE CG1 1 1 10 9789 1 1 66 ILE CG2 C -11.910 -12.450 -5.383 1.00 . A A . 66 ILE CG2 1 1 10 9790 1 1 66 ILE H H -12.650 -8.939 -7.086 1.00 . A A . 66 ILE H 1 1 10 9791 1 1 66 ILE HA H -12.714 -11.715 -7.838 1.00 . A A . 66 ILE HA 1 1 10 9792 1 1 66 ILE HB H -14.004 -12.477 -5.834 1.00 . A A . 66 ILE HB 1 1 10 9793 1 1 66 ILE HD11 H -14.788 -12.208 -3.471 1.00 . A A . 66 ILE HD11 1 1 10 9794 1 1 66 ILE HD12 H -14.382 -10.716 -2.553 1.00 . A A . 66 ILE HD12 1 1 10 9795 1 1 66 ILE HD13 H -13.108 -11.951 -2.861 1.00 . A A . 66 ILE HD13 1 1 10 9796 1 1 66 ILE HG12 H -12.824 -10.008 -4.412 1.00 . A A . 66 ILE HG12 1 1 10 9797 1 1 66 ILE HG13 H -14.535 -10.153 -4.927 1.00 . A A . 66 ILE HG13 1 1 10 9798 1 1 66 ILE HG21 H -12.062 -13.110 -4.503 1.00 . A A . 66 ILE HG21 1 1 10 9799 1 1 66 ILE HG22 H -11.108 -11.724 -5.146 1.00 . A A . 66 ILE HG22 1 1 10 9800 1 1 66 ILE HG23 H -11.580 -13.077 -6.238 1.00 . A A . 66 ILE HG23 1 1 10 9801 1 1 66 ILE N N -12.205 -9.834 -7.137 1.00 . A A . 66 ILE N 1 1 10 9802 1 1 66 ILE O O -14.780 -9.385 -7.495 1.00 . A A . 66 ILE O 1 1 10 9803 1 1 67 GLU C C -17.323 -12.760 -8.015 1.00 . A A . 67 GLU C 1 1 10 9804 1 1 67 GLU CA C -16.714 -11.346 -8.149 1.00 . A A . 67 GLU CA 1 1 10 9805 1 1 67 GLU CB C -17.013 -10.710 -9.536 1.00 . A A . 67 GLU CB 1 1 10 9806 1 1 67 GLU CD C -17.658 -12.546 -11.173 1.00 . A A . 67 GLU CD 1 1 10 9807 1 1 67 GLU CG C -16.586 -11.533 -10.773 1.00 . A A . 67 GLU CG 1 1 10 9808 1 1 67 GLU H H -15.139 -12.529 -7.895 1.00 . A A . 67 GLU H 1 1 10 9809 1 1 67 GLU HA H -17.128 -10.734 -7.359 1.00 . A A . 67 GLU HA 1 1 10 9810 1 1 67 GLU HB2 H -18.098 -10.474 -9.594 1.00 . A A . 67 GLU HB2 1 1 10 9811 1 1 67 GLU HB3 H -16.466 -9.740 -9.569 1.00 . A A . 67 GLU HB3 1 1 10 9812 1 1 67 GLU HE2 H -17.956 -14.417 -11.332 1.00 . A A . 67 GLU HE2 1 1 10 9813 1 1 67 GLU HG2 H -16.455 -10.848 -11.637 1.00 . A A . 67 GLU HG2 1 1 10 9814 1 1 67 GLU HG3 H -15.624 -12.050 -10.583 1.00 . A A . 67 GLU HG3 1 1 10 9815 1 1 67 GLU N N -15.315 -11.538 -7.898 1.00 . A A . 67 GLU N 1 1 10 9816 1 1 67 GLU O O -18.574 -12.880 -8.038 1.00 . A A . 67 GLU O 1 1 10 9817 1 1 67 GLU OXT O -16.523 -13.732 -7.882 1.00 . A A . 67 GLU OXT 1 1 10 9818 1 1 67 GLU OE1 O -18.812 -12.293 -11.472 1.00 . A A . 67 GLU OE1 1 1 10 9819 1 1 67 GLU OE2 O -17.198 -13.843 -11.242 1.00 . A A . 67 GLU OE2 1 1 10 9820 2 2 1 CL CL CL 0.740 -13.122 -3.623 1.00 . B A . 68 CL CL 1 1 10 9821 3 2 1 CL CL CL -3.500 -1.894 15.961 1.00 . C A . 69 CL CL 1 1 10 9822 4 2 1 CL CL CL -7.532 -2.364 4.465 1.00 . D A . 70 CL CL 1 1 10 9823 5 2 1 CL CL CL -3.262 -15.114 11.106 1.00 . E A . 71 CL CL 1 1 10 9824 6 2 1 CL CL CL -3.124 3.859 11.274 1.00 . F A . 72 CL CL 1 1 10 9825 7 2 1 CL CL CL 7.687 -12.556 -4.281 1.00 . G A . 73 CL CL 1 1 10 9826 8 2 1 CL CL CL -8.080 -5.313 -5.321 1.00 . H A . 74 CL CL 1 1 10 9827 9 2 1 CL CL CL 6.788 9.179 -2.150 1.00 . I A . 75 CL CL 1 1 10 9828 10 2 1 CL CL CL 11.990 0.718 9.750 1.00 . J A . 76 CL CL 1 1 10 9829 11 2 1 CL CL CL -3.738 16.789 7.357 1.00 . K A . 77 CL CL 1 1 10 9830 12 2 1 CL CL CL 1.501 -12.104 4.754 1.00 . L A . 78 CL CL 1 1 11 9831 1 1 1 GLY C C -2.864 -18.137 12.608 1.00 . A A . 1 GLY C 1 1 11 9832 1 1 1 GLY CA C -2.122 -19.290 13.193 1.00 . A A . 1 GLY CA 1 1 11 9833 1 1 1 GLY H1 H -3.865 -20.344 13.640 1.00 . A A . 1 GLY H1 1 1 11 9834 1 1 1 GLY H2 H -3.257 -19.409 14.924 1.00 . A A . 1 GLY H2 1 1 11 9835 1 1 1 GLY H3 H -2.491 -20.858 14.502 1.00 . A A . 1 GLY H3 1 1 11 9836 1 1 1 GLY HA2 H -1.282 -18.923 13.762 1.00 . A A . 1 GLY HA2 1 1 11 9837 1 1 1 GLY HA3 H -1.858 -19.976 12.401 1.00 . A A . 1 GLY HA3 1 1 11 9838 1 1 1 GLY N N -3.003 -20.031 14.129 1.00 . A A . 1 GLY N 1 1 11 9839 1 1 1 GLY O O -3.440 -18.227 11.528 1.00 . A A . 1 GLY O 1 1 11 9840 1 1 2 ASP C C -2.950 -14.648 13.630 1.00 . A A . 2 ASP C 1 1 11 9841 1 1 2 ASP CA C -3.575 -15.811 12.880 1.00 . A A . 2 ASP CA 1 1 11 9842 1 1 2 ASP CB C -5.100 -15.920 13.153 1.00 . A A . 2 ASP CB 1 1 11 9843 1 1 2 ASP CG C -5.868 -14.770 12.528 1.00 . A A . 2 ASP CG 1 1 11 9844 1 1 2 ASP H H -2.374 -16.966 14.178 1.00 . A A . 2 ASP H 1 1 11 9845 1 1 2 ASP HA H -3.369 -15.663 11.826 1.00 . A A . 2 ASP HA 1 1 11 9846 1 1 2 ASP HB2 H -5.481 -16.856 12.694 1.00 . A A . 2 ASP HB2 1 1 11 9847 1 1 2 ASP HB3 H -5.297 -15.964 14.242 1.00 . A A . 2 ASP HB3 1 1 11 9848 1 1 2 ASP HD2 H -6.757 -13.140 12.993 1.00 . A A . 2 ASP HD2 1 1 11 9849 1 1 2 ASP N N -2.883 -17.005 13.321 1.00 . A A . 2 ASP N 1 1 11 9850 1 1 2 ASP O O -3.577 -13.931 14.403 1.00 . A A . 2 ASP O 1 1 11 9851 1 1 2 ASP OD1 O -5.996 -14.565 11.332 1.00 . A A . 2 ASP OD1 1 1 11 9852 1 1 2 ASP OD2 O -6.403 -13.918 13.450 1.00 . A A . 2 ASP OD2 1 1 11 9853 1 1 3 ASP C C 0.313 -13.066 13.246 1.00 . A A . 3 ASP C 1 1 11 9854 1 1 3 ASP CA C -0.882 -13.436 14.087 1.00 . A A . 3 ASP CA 1 1 11 9855 1 1 3 ASP CB C -0.490 -13.860 15.518 1.00 . A A . 3 ASP CB 1 1 11 9856 1 1 3 ASP CG C 0.009 -15.282 15.588 1.00 . A A . 3 ASP CG 1 1 11 9857 1 1 3 ASP H H -1.134 -15.085 12.821 1.00 . A A . 3 ASP H 1 1 11 9858 1 1 3 ASP HA H -1.470 -12.531 14.143 1.00 . A A . 3 ASP HA 1 1 11 9859 1 1 3 ASP HB2 H 0.239 -13.154 15.950 1.00 . A A . 3 ASP HB2 1 1 11 9860 1 1 3 ASP HB3 H -1.411 -13.827 16.138 1.00 . A A . 3 ASP HB3 1 1 11 9861 1 1 3 ASP HD2 H 1.691 -14.587 14.927 1.00 . A A . 3 ASP HD2 1 1 11 9862 1 1 3 ASP N N -1.647 -14.456 13.423 1.00 . A A . 3 ASP N 1 1 11 9863 1 1 3 ASP O O 1.465 -13.147 13.669 1.00 . A A . 3 ASP O 1 1 11 9864 1 1 3 ASP OD1 O -0.684 -16.245 15.860 1.00 . A A . 3 ASP OD1 1 1 11 9865 1 1 3 ASP OD2 O 1.338 -15.410 15.288 1.00 . A A . 3 ASP OD2 1 1 11 9866 1 1 4 VAL C C 0.544 -10.673 10.792 1.00 . A A . 4 VAL C 1 1 11 9867 1 1 4 VAL CA C 0.946 -12.097 11.070 1.00 . A A . 4 VAL CA 1 1 11 9868 1 1 4 VAL CB C 1.043 -12.935 9.799 1.00 . A A . 4 VAL CB 1 1 11 9869 1 1 4 VAL CG1 C -0.224 -12.897 8.920 1.00 . A A . 4 VAL CG1 1 1 11 9870 1 1 4 VAL CG2 C 2.286 -12.533 8.984 1.00 . A A . 4 VAL CG2 1 1 11 9871 1 1 4 VAL H H -0.937 -12.594 11.747 1.00 . A A . 4 VAL H 1 1 11 9872 1 1 4 VAL HA H 1.927 -12.071 11.515 1.00 . A A . 4 VAL HA 1 1 11 9873 1 1 4 VAL HB H 1.188 -13.983 10.154 1.00 . A A . 4 VAL HB 1 1 11 9874 1 1 4 VAL HG11 H -0.076 -13.550 8.033 1.00 . A A . 4 VAL HG11 1 1 11 9875 1 1 4 VAL HG12 H -0.438 -11.875 8.548 1.00 . A A . 4 VAL HG12 1 1 11 9876 1 1 4 VAL HG13 H -1.112 -13.271 9.469 1.00 . A A . 4 VAL HG13 1 1 11 9877 1 1 4 VAL HG21 H 2.420 -13.221 8.124 1.00 . A A . 4 VAL HG21 1 1 11 9878 1 1 4 VAL HG22 H 3.195 -12.588 9.617 1.00 . A A . 4 VAL HG22 1 1 11 9879 1 1 4 VAL HG23 H 2.197 -11.505 8.585 1.00 . A A . 4 VAL HG23 1 1 11 9880 1 1 4 VAL N N 0.012 -12.640 12.017 1.00 . A A . 4 VAL N 1 1 11 9881 1 1 4 VAL O O -0.628 -10.349 10.606 1.00 . A A . 4 VAL O 1 1 11 9882 1 1 5 LYS C C 1.776 -8.182 9.003 1.00 . A A . 5 LYS C 1 1 11 9883 1 1 5 LYS CA C 1.327 -8.381 10.428 1.00 . A A . 5 LYS CA 1 1 11 9884 1 1 5 LYS CB C 2.155 -7.483 11.357 1.00 . A A . 5 LYS CB 1 1 11 9885 1 1 5 LYS CD C 2.496 -6.571 13.675 1.00 . A A . 5 LYS CD 1 1 11 9886 1 1 5 LYS CE C 2.478 -6.838 15.176 1.00 . A A . 5 LYS CE 1 1 11 9887 1 1 5 LYS CG C 1.807 -7.652 12.839 1.00 . A A . 5 LYS CG 1 1 11 9888 1 1 5 LYS H H 2.480 -10.014 10.879 1.00 . A A . 5 LYS H 1 1 11 9889 1 1 5 LYS HA H 0.281 -8.126 10.483 1.00 . A A . 5 LYS HA 1 1 11 9890 1 1 5 LYS HB2 H 3.232 -7.719 11.218 1.00 . A A . 5 LYS HB2 1 1 11 9891 1 1 5 LYS HB3 H 2.010 -6.420 11.072 1.00 . A A . 5 LYS HB3 1 1 11 9892 1 1 5 LYS HD2 H 3.558 -6.493 13.345 1.00 . A A . 5 LYS HD2 1 1 11 9893 1 1 5 LYS HD3 H 2.012 -5.590 13.460 1.00 . A A . 5 LYS HD3 1 1 11 9894 1 1 5 LYS HE2 H 1.442 -6.934 15.560 1.00 . A A . 5 LYS HE2 1 1 11 9895 1 1 5 LYS HE3 H 3.052 -7.760 15.412 1.00 . A A . 5 LYS HE3 1 1 11 9896 1 1 5 LYS HG2 H 0.705 -7.598 12.981 1.00 . A A . 5 LYS HG2 1 1 11 9897 1 1 5 LYS HG3 H 2.135 -8.660 13.180 1.00 . A A . 5 LYS HG3 1 1 11 9898 1 1 5 LYS HZ1 H 3.323 -5.983 16.865 1.00 . A A . 5 LYS HZ1 1 1 11 9899 1 1 5 LYS HZ2 H 2.490 -4.888 15.869 1.00 . A A . 5 LYS HZ2 1 1 11 9900 1 1 5 LYS HZ3 H 4.014 -5.467 15.401 1.00 . A A . 5 LYS HZ3 1 1 11 9901 1 1 5 LYS N N 1.525 -9.764 10.760 1.00 . A A . 5 LYS N 1 1 11 9902 1 1 5 LYS NZ N 3.123 -5.713 15.880 1.00 . A A . 5 LYS NZ 1 1 11 9903 1 1 5 LYS O O 2.552 -7.298 8.658 1.00 . A A . 5 LYS O 1 1 11 9904 1 1 6 SER C C 0.877 -7.659 6.100 1.00 . A A . 6 SER C 1 1 11 9905 1 1 6 SER CA C 1.427 -8.949 6.681 1.00 . A A . 6 SER CA 1 1 11 9906 1 1 6 SER CB C 0.828 -10.163 5.927 1.00 . A A . 6 SER CB 1 1 11 9907 1 1 6 SER H H 0.662 -9.738 8.484 1.00 . A A . 6 SER H 1 1 11 9908 1 1 6 SER HA H 2.488 -8.945 6.471 1.00 . A A . 6 SER HA 1 1 11 9909 1 1 6 SER HB2 H 0.924 -10.014 4.826 1.00 . A A . 6 SER HB2 1 1 11 9910 1 1 6 SER HB3 H 1.415 -11.068 6.204 1.00 . A A . 6 SER HB3 1 1 11 9911 1 1 6 SER HG H -0.904 -11.005 5.620 1.00 . A A . 6 SER HG 1 1 11 9912 1 1 6 SER N N 1.283 -9.050 8.122 1.00 . A A . 6 SER N 1 1 11 9913 1 1 6 SER O O -0.227 -7.228 6.425 1.00 . A A . 6 SER O 1 1 11 9914 1 1 6 SER OG O -0.539 -10.389 6.281 1.00 . A A . 6 SER OG 1 1 11 9915 1 1 7 ALA C C 0.439 -6.481 3.146 1.00 . A A . 7 ALA C 1 1 11 9916 1 1 7 ALA CA C 1.111 -5.925 4.394 1.00 . A A . 7 ALA CA 1 1 11 9917 1 1 7 ALA CB C 2.239 -4.944 4.016 1.00 . A A . 7 ALA CB 1 1 11 9918 1 1 7 ALA H H 2.570 -7.276 5.018 1.00 . A A . 7 ALA H 1 1 11 9919 1 1 7 ALA HA H 0.355 -5.391 4.949 1.00 . A A . 7 ALA HA 1 1 11 9920 1 1 7 ALA HB1 H 1.872 -4.131 3.356 1.00 . A A . 7 ALA HB1 1 1 11 9921 1 1 7 ALA HB2 H 3.076 -5.473 3.512 1.00 . A A . 7 ALA HB2 1 1 11 9922 1 1 7 ALA HB3 H 2.642 -4.477 4.940 1.00 . A A . 7 ALA HB3 1 1 11 9923 1 1 7 ALA N N 1.632 -7.006 5.202 1.00 . A A . 7 ALA N 1 1 11 9924 1 1 7 ALA O O 0.624 -7.639 2.772 1.00 . A A . 7 ALA O 1 1 11 9925 1 1 8 CYS C C -0.652 -4.909 0.180 1.00 . A A . 8 CYS C 1 1 11 9926 1 1 8 CYS CA C -0.920 -6.028 1.160 1.00 . A A . 8 CYS CA 1 1 11 9927 1 1 8 CYS CB C -2.433 -6.370 1.211 1.00 . A A . 8 CYS CB 1 1 11 9928 1 1 8 CYS H H -0.715 -4.831 2.897 1.00 . A A . 8 CYS H 1 1 11 9929 1 1 8 CYS HA H -0.402 -6.889 0.761 1.00 . A A . 8 CYS HA 1 1 11 9930 1 1 8 CYS HB2 H -2.733 -6.785 0.223 1.00 . A A . 8 CYS HB2 1 1 11 9931 1 1 8 CYS HB3 H -2.576 -7.173 1.964 1.00 . A A . 8 CYS HB3 1 1 11 9932 1 1 8 CYS N N -0.393 -5.681 2.471 1.00 . A A . 8 CYS N 1 1 11 9933 1 1 8 CYS O O -0.323 -3.793 0.581 1.00 . A A . 8 CYS O 1 1 11 9934 1 1 8 CYS SG S -3.520 -4.967 1.634 1.00 . A A . 8 CYS SG 1 1 11 9935 1 1 9 CYS C C -1.108 -4.688 -3.480 1.00 . A A . 9 CYS C 1 1 11 9936 1 1 9 CYS CA C -0.684 -4.115 -2.129 1.00 . A A . 9 CYS CA 1 1 11 9937 1 1 9 CYS CB C 0.776 -3.604 -2.270 1.00 . A A . 9 CYS CB 1 1 11 9938 1 1 9 CYS H H -0.882 -6.105 -1.474 1.00 . A A . 9 CYS H 1 1 11 9939 1 1 9 CYS HA H -1.362 -3.320 -1.850 1.00 . A A . 9 CYS HA 1 1 11 9940 1 1 9 CYS HB2 H 1.135 -3.291 -1.268 1.00 . A A . 9 CYS HB2 1 1 11 9941 1 1 9 CYS HB3 H 1.396 -4.475 -2.583 1.00 . A A . 9 CYS HB3 1 1 11 9942 1 1 9 CYS N N -0.755 -5.165 -1.134 1.00 . A A . 9 CYS N 1 1 11 9943 1 1 9 CYS O O -0.663 -5.756 -3.894 1.00 . A A . 9 CYS O 1 1 11 9944 1 1 9 CYS SG S 0.982 -2.221 -3.432 1.00 . A A . 9 CYS SG 1 1 11 9945 1 1 10 ASP C C -1.245 -3.806 -6.622 1.00 . A A . 10 ASP C 1 1 11 9946 1 1 10 ASP CA C -2.243 -4.376 -5.618 1.00 . A A . 10 ASP CA 1 1 11 9947 1 1 10 ASP CB C -3.669 -3.956 -6.034 1.00 . A A . 10 ASP CB 1 1 11 9948 1 1 10 ASP CG C -4.655 -5.098 -5.866 1.00 . A A . 10 ASP CG 1 1 11 9949 1 1 10 ASP H H -2.566 -3.296 -3.825 1.00 . A A . 10 ASP H 1 1 11 9950 1 1 10 ASP HA H -2.159 -5.448 -5.708 1.00 . A A . 10 ASP HA 1 1 11 9951 1 1 10 ASP HB2 H -3.994 -3.104 -5.422 1.00 . A A . 10 ASP HB2 1 1 11 9952 1 1 10 ASP HB3 H -3.687 -3.570 -7.062 1.00 . A A . 10 ASP HB3 1 1 11 9953 1 1 10 ASP HD2 H -5.083 -4.814 -7.772 1.00 . A A . 10 ASP HD2 1 1 11 9954 1 1 10 ASP N N -1.971 -3.999 -4.245 1.00 . A A . 10 ASP N 1 1 11 9955 1 1 10 ASP O O -0.969 -4.414 -7.654 1.00 . A A . 10 ASP O 1 1 11 9956 1 1 10 ASP OD1 O -4.794 -5.826 -4.897 1.00 . A A . 10 ASP OD1 1 1 11 9957 1 1 10 ASP OD2 O -5.427 -5.287 -6.997 1.00 . A A . 10 ASP OD2 1 1 11 9958 1 1 11 THR C C 0.967 -0.864 -6.765 1.00 . A A . 11 THR C 1 1 11 9959 1 1 11 THR CA C -0.007 -1.829 -7.399 1.00 . A A . 11 THR CA 1 1 11 9960 1 1 11 THR CB C -0.958 -0.925 -8.198 1.00 . A A . 11 THR CB 1 1 11 9961 1 1 11 THR CG2 C -0.267 -0.331 -9.432 1.00 . A A . 11 THR CG2 1 1 11 9962 1 1 11 THR H H -0.868 -2.187 -5.493 1.00 . A A . 11 THR H 1 1 11 9963 1 1 11 THR HA H 0.548 -2.481 -8.058 1.00 . A A . 11 THR HA 1 1 11 9964 1 1 11 THR HB H -1.333 -0.098 -7.548 1.00 . A A . 11 THR HB 1 1 11 9965 1 1 11 THR HG1 H -2.790 -1.489 -8.026 1.00 . A A . 11 THR HG1 1 1 11 9966 1 1 11 THR HG21 H 0.108 -1.135 -10.101 1.00 . A A . 11 THR HG21 1 1 11 9967 1 1 11 THR HG22 H 0.576 0.334 -9.154 1.00 . A A . 11 THR HG22 1 1 11 9968 1 1 11 THR HG23 H -0.989 0.290 -10.003 1.00 . A A . 11 THR HG23 1 1 11 9969 1 1 11 THR N N -0.665 -2.624 -6.359 1.00 . A A . 11 THR N 1 1 11 9970 1 1 11 THR O O 0.679 -0.133 -5.813 1.00 . A A . 11 THR O 1 1 11 9971 1 1 11 THR OG1 O -2.086 -1.640 -8.688 1.00 . A A . 11 THR OG1 1 1 11 9972 1 1 12 CYS C C 4.370 0.229 -7.555 1.00 . A A . 12 CYS C 1 1 11 9973 1 1 12 CYS CA C 3.289 -0.206 -6.618 1.00 . A A . 12 CYS CA 1 1 11 9974 1 1 12 CYS CB C 3.873 -1.212 -5.584 1.00 . A A . 12 CYS CB 1 1 11 9975 1 1 12 CYS H H 2.469 -1.421 -8.041 1.00 . A A . 12 CYS H 1 1 11 9976 1 1 12 CYS HA H 2.981 0.692 -6.127 1.00 . A A . 12 CYS HA 1 1 11 9977 1 1 12 CYS HB2 H 4.544 -0.669 -4.888 1.00 . A A . 12 CYS HB2 1 1 11 9978 1 1 12 CYS HB3 H 3.007 -1.622 -5.027 1.00 . A A . 12 CYS HB3 1 1 11 9979 1 1 12 CYS N N 2.192 -0.811 -7.306 1.00 . A A . 12 CYS N 1 1 11 9980 1 1 12 CYS O O 4.381 -0.070 -8.747 1.00 . A A . 12 CYS O 1 1 11 9981 1 1 12 CYS SG S 4.768 -2.636 -6.272 1.00 . A A . 12 CYS SG 1 1 11 9982 1 1 13 LEU C C 7.500 1.820 -6.834 1.00 . A A . 13 LEU C 1 1 11 9983 1 1 13 LEU CA C 6.319 1.655 -7.755 1.00 . A A . 13 LEU CA 1 1 11 9984 1 1 13 LEU CB C 5.779 3.000 -8.275 1.00 . A A . 13 LEU CB 1 1 11 9985 1 1 13 LEU CD1 C 5.879 4.546 -10.259 1.00 . A A . 13 LEU CD1 1 1 11 9986 1 1 13 LEU CD2 C 7.664 4.738 -8.520 1.00 . A A . 13 LEU CD2 1 1 11 9987 1 1 13 LEU CG C 6.713 3.768 -9.235 1.00 . A A . 13 LEU CG 1 1 11 9988 1 1 13 LEU H H 5.235 1.265 -6.039 1.00 . A A . 13 LEU H 1 1 11 9989 1 1 13 LEU HA H 6.620 1.051 -8.595 1.00 . A A . 13 LEU HA 1 1 11 9990 1 1 13 LEU HB2 H 4.862 2.744 -8.848 1.00 . A A . 13 LEU HB2 1 1 11 9991 1 1 13 LEU HB3 H 5.462 3.642 -7.427 1.00 . A A . 13 LEU HB3 1 1 11 9992 1 1 13 LEU HD11 H 5.210 3.861 -10.816 1.00 . A A . 13 LEU HD11 1 1 11 9993 1 1 13 LEU HD12 H 6.541 5.055 -10.986 1.00 . A A . 13 LEU HD12 1 1 11 9994 1 1 13 LEU HD13 H 5.249 5.310 -9.756 1.00 . A A . 13 LEU HD13 1 1 11 9995 1 1 13 LEU HD21 H 7.084 5.499 -7.960 1.00 . A A . 13 LEU HD21 1 1 11 9996 1 1 13 LEU HD22 H 8.302 5.263 -9.265 1.00 . A A . 13 LEU HD22 1 1 11 9997 1 1 13 LEU HD23 H 8.330 4.209 -7.812 1.00 . A A . 13 LEU HD23 1 1 11 9998 1 1 13 LEU HG H 7.322 3.023 -9.804 1.00 . A A . 13 LEU HG 1 1 11 9999 1 1 13 LEU N N 5.325 0.967 -6.992 1.00 . A A . 13 LEU N 1 1 11 10000 1 1 13 LEU O O 7.403 2.195 -5.656 1.00 . A A . 13 LEU O 1 1 11 10001 1 1 14 CYS C C 10.767 2.575 -7.033 1.00 . A A . 14 CYS C 1 1 11 10002 1 1 14 CYS CA C 9.917 1.379 -6.683 1.00 . A A . 14 CYS CA 1 1 11 10003 1 1 14 CYS CB C 10.698 0.055 -6.837 1.00 . A A . 14 CYS CB 1 1 11 10004 1 1 14 CYS H H 8.637 0.926 -8.253 1.00 . A A . 14 CYS H 1 1 11 10005 1 1 14 CYS HA H 9.738 1.505 -5.642 1.00 . A A . 14 CYS HA 1 1 11 10006 1 1 14 CYS HB2 H 10.901 -0.113 -7.914 1.00 . A A . 14 CYS HB2 1 1 11 10007 1 1 14 CYS HB3 H 11.690 0.148 -6.353 1.00 . A A . 14 CYS HB3 1 1 11 10008 1 1 14 CYS N N 8.643 1.342 -7.345 1.00 . A A . 14 CYS N 1 1 11 10009 1 1 14 CYS O O 10.697 3.159 -8.116 1.00 . A A . 14 CYS O 1 1 11 10010 1 1 14 CYS SG S 9.855 -1.420 -6.145 1.00 . A A . 14 CYS SG 1 1 11 10011 1 1 15 THR C C 13.822 3.327 -7.151 1.00 . A A . 15 THR C 1 1 11 10012 1 1 15 THR CA C 12.690 3.927 -6.354 1.00 . A A . 15 THR CA 1 1 11 10013 1 1 15 THR CB C 13.317 4.507 -5.086 1.00 . A A . 15 THR CB 1 1 11 10014 1 1 15 THR CG2 C 12.234 5.269 -4.318 1.00 . A A . 15 THR CG2 1 1 11 10015 1 1 15 THR H H 11.694 2.508 -5.194 1.00 . A A . 15 THR H 1 1 11 10016 1 1 15 THR HA H 12.281 4.746 -6.921 1.00 . A A . 15 THR HA 1 1 11 10017 1 1 15 THR HB H 14.132 5.213 -5.380 1.00 . A A . 15 THR HB 1 1 11 10018 1 1 15 THR HG1 H 13.886 3.896 -3.327 1.00 . A A . 15 THR HG1 1 1 11 10019 1 1 15 THR HG21 H 11.433 4.584 -3.969 1.00 . A A . 15 THR HG21 1 1 11 10020 1 1 15 THR HG22 H 11.779 6.033 -4.988 1.00 . A A . 15 THR HG22 1 1 11 10021 1 1 15 THR HG23 H 12.668 5.790 -3.437 1.00 . A A . 15 THR HG23 1 1 11 10022 1 1 15 THR N N 11.646 2.954 -6.096 1.00 . A A . 15 THR N 1 1 11 10023 1 1 15 THR O O 14.169 2.154 -7.022 1.00 . A A . 15 THR O 1 1 11 10024 1 1 15 THR OG1 O 13.826 3.499 -4.213 1.00 . A A . 15 THR OG1 1 1 11 10025 1 1 16 ARG C C 16.743 4.391 -7.285 1.00 . A A . 16 ARG C 1 1 11 10026 1 1 16 ARG CA C 15.836 3.880 -8.386 1.00 . A A . 16 ARG CA 1 1 11 10027 1 1 16 ARG CB C 16.199 4.527 -9.731 1.00 . A A . 16 ARG CB 1 1 11 10028 1 1 16 ARG CD C 15.734 4.482 -12.249 1.00 . A A . 16 ARG CD 1 1 11 10029 1 1 16 ARG CG C 15.420 3.881 -10.877 1.00 . A A . 16 ARG CG 1 1 11 10030 1 1 16 ARG CZ C 13.519 4.110 -13.367 1.00 . A A . 16 ARG CZ 1 1 11 10031 1 1 16 ARG H H 14.140 5.070 -8.142 1.00 . A A . 16 ARG H 1 1 11 10032 1 1 16 ARG HA H 15.973 2.816 -8.483 1.00 . A A . 16 ARG HA 1 1 11 10033 1 1 16 ARG HB2 H 15.988 5.618 -9.695 1.00 . A A . 16 ARG HB2 1 1 11 10034 1 1 16 ARG HB3 H 17.282 4.384 -9.934 1.00 . A A . 16 ARG HB3 1 1 11 10035 1 1 16 ARG HD2 H 15.555 5.578 -12.269 1.00 . A A . 16 ARG HD2 1 1 11 10036 1 1 16 ARG HD3 H 16.787 4.278 -12.534 1.00 . A A . 16 ARG HD3 1 1 11 10037 1 1 16 ARG HE H 15.204 3.021 -13.750 1.00 . A A . 16 ARG HE 1 1 11 10038 1 1 16 ARG HG2 H 15.662 2.796 -10.889 1.00 . A A . 16 ARG HG2 1 1 11 10039 1 1 16 ARG HG3 H 14.333 3.981 -10.658 1.00 . A A . 16 ARG HG3 1 1 11 10040 1 1 16 ARG HH11 H 13.544 5.744 -12.122 1.00 . A A . 16 ARG HH11 1 1 11 10041 1 1 16 ARG HH12 H 12.000 5.377 -12.815 1.00 . A A . 16 ARG HH12 1 1 11 10042 1 1 16 ARG HH21 H 13.128 2.548 -14.633 1.00 . A A . 16 ARG HH21 1 1 11 10043 1 1 16 ARG HH22 H 11.755 3.533 -14.245 1.00 . A A . 16 ARG HH22 1 1 11 10044 1 1 16 ARG N N 14.476 4.143 -7.987 1.00 . A A . 16 ARG N 1 1 11 10045 1 1 16 ARG NE N 14.849 3.811 -13.250 1.00 . A A . 16 ARG NE 1 1 11 10046 1 1 16 ARG NH1 N 12.975 5.176 -12.715 1.00 . A A . 16 ARG NH1 1 1 11 10047 1 1 16 ARG NH2 N 12.726 3.321 -14.143 1.00 . A A . 16 ARG NH2 1 1 11 10048 1 1 16 ARG O O 16.711 5.569 -6.933 1.00 . A A . 16 ARG O 1 1 11 10049 1 1 17 SER C C 19.155 2.672 -5.135 1.00 . A A . 17 SER C 1 1 11 10050 1 1 17 SER CA C 18.288 3.849 -5.486 1.00 . A A . 17 SER CA 1 1 11 10051 1 1 17 SER CB C 17.381 4.166 -4.261 1.00 . A A . 17 SER CB 1 1 11 10052 1 1 17 SER H H 17.587 2.565 -6.971 1.00 . A A . 17 SER H 1 1 11 10053 1 1 17 SER HA H 18.926 4.686 -5.695 1.00 . A A . 17 SER HA 1 1 11 10054 1 1 17 SER HB2 H 16.522 4.779 -4.603 1.00 . A A . 17 SER HB2 1 1 11 10055 1 1 17 SER HB3 H 16.971 3.229 -3.835 1.00 . A A . 17 SER HB3 1 1 11 10056 1 1 17 SER HG H 17.395 5.118 -2.580 1.00 . A A . 17 SER HG 1 1 11 10057 1 1 17 SER N N 17.553 3.515 -6.688 1.00 . A A . 17 SER N 1 1 11 10058 1 1 17 SER O O 19.130 1.640 -5.801 1.00 . A A . 17 SER O 1 1 11 10059 1 1 17 SER OG O 18.066 4.896 -3.241 1.00 . A A . 17 SER OG 1 1 11 10060 1 1 18 GLN C C 21.239 1.989 -2.200 1.00 . A A . 18 GLN C 1 1 11 10061 1 1 18 GLN CA C 20.957 1.844 -3.701 1.00 . A A . 18 GLN CA 1 1 11 10062 1 1 18 GLN CB C 22.233 2.121 -4.522 1.00 . A A . 18 GLN CB 1 1 11 10063 1 1 18 GLN CD C 24.587 1.452 -5.130 1.00 . A A . 18 GLN CD 1 1 11 10064 1 1 18 GLN CG C 23.322 1.041 -4.382 1.00 . A A . 18 GLN CG 1 1 11 10065 1 1 18 GLN H H 19.931 3.669 -3.585 1.00 . A A . 18 GLN H 1 1 11 10066 1 1 18 GLN HA H 20.604 0.849 -3.913 1.00 . A A . 18 GLN HA 1 1 11 10067 1 1 18 GLN HB2 H 21.931 2.195 -5.588 1.00 . A A . 18 GLN HB2 1 1 11 10068 1 1 18 GLN HB3 H 22.625 3.121 -4.239 1.00 . A A . 18 GLN HB3 1 1 11 10069 1 1 18 GLN HE21 H 25.701 1.252 -3.443 1.00 . A A . 18 GLN HE21 1 1 11 10070 1 1 18 GLN HE22 H 26.560 1.815 -4.861 1.00 . A A . 18 GLN HE22 1 1 11 10071 1 1 18 GLN HG2 H 23.553 0.887 -3.311 1.00 . A A . 18 GLN HG2 1 1 11 10072 1 1 18 GLN HG3 H 22.968 0.081 -4.806 1.00 . A A . 18 GLN HG3 1 1 11 10073 1 1 18 GLN N N 19.953 2.801 -4.078 1.00 . A A . 18 GLN N 1 1 11 10074 1 1 18 GLN NE2 N 25.727 1.499 -4.414 1.00 . A A . 18 GLN NE2 1 1 11 10075 1 1 18 GLN O O 22.014 2.858 -1.788 1.00 . A A . 18 GLN O 1 1 11 10076 1 1 18 GLN OE1 O 24.567 1.743 -6.328 1.00 . A A . 18 GLN OE1 1 1 11 10077 1 1 19 PRO C C 18.288 0.676 -1.994 1.00 . A A . 19 PRO C 1 1 11 10078 1 1 19 PRO CA C 19.663 0.139 -1.583 1.00 . A A . 19 PRO CA 1 1 11 10079 1 1 19 PRO CB C 19.609 -0.596 -0.231 1.00 . A A . 19 PRO CB 1 1 11 10080 1 1 19 PRO CD C 20.884 1.379 0.111 1.00 . A A . 19 PRO CD 1 1 11 10081 1 1 19 PRO CG C 19.856 0.495 0.804 1.00 . A A . 19 PRO CG 1 1 11 10082 1 1 19 PRO HA H 20.026 -0.495 -2.374 1.00 . A A . 19 PRO HA 1 1 11 10083 1 1 19 PRO HB2 H 18.649 -1.126 -0.052 1.00 . A A . 19 PRO HB2 1 1 11 10084 1 1 19 PRO HB3 H 20.458 -1.323 -0.189 1.00 . A A . 19 PRO HB3 1 1 11 10085 1 1 19 PRO HD2 H 20.742 2.440 0.409 1.00 . A A . 19 PRO HD2 1 1 11 10086 1 1 19 PRO HD3 H 21.920 1.048 0.341 1.00 . A A . 19 PRO HD3 1 1 11 10087 1 1 19 PRO HG2 H 18.922 1.075 0.980 1.00 . A A . 19 PRO HG2 1 1 11 10088 1 1 19 PRO HG3 H 20.223 0.088 1.768 1.00 . A A . 19 PRO HG3 1 1 11 10089 1 1 19 PRO N N 20.643 1.192 -1.317 1.00 . A A . 19 PRO N 1 1 11 10090 1 1 19 PRO O O 18.034 1.869 -1.817 1.00 . A A . 19 PRO O 1 1 11 10091 1 1 20 PRO C C 15.097 0.657 -2.040 1.00 . A A . 20 PRO C 1 1 11 10092 1 1 20 PRO CA C 16.128 0.336 -3.111 1.00 . A A . 20 PRO CA 1 1 11 10093 1 1 20 PRO CB C 15.670 -0.861 -3.966 1.00 . A A . 20 PRO CB 1 1 11 10094 1 1 20 PRO CD C 17.596 -1.572 -2.778 1.00 . A A . 20 PRO CD 1 1 11 10095 1 1 20 PRO CG C 16.230 -2.076 -3.232 1.00 . A A . 20 PRO CG 1 1 11 10096 1 1 20 PRO HA H 16.252 1.229 -3.703 1.00 . A A . 20 PRO HA 1 1 11 10097 1 1 20 PRO HB2 H 14.572 -0.920 -4.107 1.00 . A A . 20 PRO HB2 1 1 11 10098 1 1 20 PRO HB3 H 16.151 -0.795 -4.969 1.00 . A A . 20 PRO HB3 1 1 11 10099 1 1 20 PRO HD2 H 17.903 -2.082 -1.837 1.00 . A A . 20 PRO HD2 1 1 11 10100 1 1 20 PRO HD3 H 18.352 -1.736 -3.580 1.00 . A A . 20 PRO HD3 1 1 11 10101 1 1 20 PRO HG2 H 15.602 -2.299 -2.341 1.00 . A A . 20 PRO HG2 1 1 11 10102 1 1 20 PRO HG3 H 16.297 -2.975 -3.876 1.00 . A A . 20 PRO HG3 1 1 11 10103 1 1 20 PRO N N 17.409 -0.128 -2.587 1.00 . A A . 20 PRO N 1 1 11 10104 1 1 20 PRO O O 15.329 0.512 -0.842 1.00 . A A . 20 PRO O 1 1 11 10105 1 1 21 THR C C 11.568 1.362 -2.444 1.00 . A A . 21 THR C 1 1 11 10106 1 1 21 THR CA C 12.804 1.426 -1.588 1.00 . A A . 21 THR CA 1 1 11 10107 1 1 21 THR CB C 12.849 2.847 -0.999 1.00 . A A . 21 THR CB 1 1 11 10108 1 1 21 THR CG2 C 12.737 2.779 0.527 1.00 . A A . 21 THR CG2 1 1 11 10109 1 1 21 THR H H 13.789 1.389 -3.425 1.00 . A A . 21 THR H 1 1 11 10110 1 1 21 THR HA H 12.710 0.671 -0.819 1.00 . A A . 21 THR HA 1 1 11 10111 1 1 21 THR HB H 12.039 3.493 -1.412 1.00 . A A . 21 THR HB 1 1 11 10112 1 1 21 THR HG1 H 14.752 2.982 -0.882 1.00 . A A . 21 THR HG1 1 1 11 10113 1 1 21 THR HG21 H 12.805 3.798 0.966 1.00 . A A . 21 THR HG21 1 1 11 10114 1 1 21 THR HG22 H 13.560 2.162 0.949 1.00 . A A . 21 THR HG22 1 1 11 10115 1 1 21 THR HG23 H 11.771 2.336 0.842 1.00 . A A . 21 THR HG23 1 1 11 10116 1 1 21 THR N N 13.906 1.092 -2.473 1.00 . A A . 21 THR N 1 1 11 10117 1 1 21 THR O O 11.612 1.594 -3.647 1.00 . A A . 21 THR O 1 1 11 10118 1 1 21 THR OG1 O 14.063 3.522 -1.296 1.00 . A A . 21 THR OG1 1 1 11 10119 1 1 22 CYS C C 8.001 1.271 -2.005 1.00 . A A . 22 CYS C 1 1 11 10120 1 1 22 CYS CA C 9.241 0.847 -2.736 1.00 . A A . 22 CYS CA 1 1 11 10121 1 1 22 CYS CB C 9.153 -0.614 -3.253 1.00 . A A . 22 CYS CB 1 1 11 10122 1 1 22 CYS H H 10.298 0.774 -0.917 1.00 . A A . 22 CYS H 1 1 11 10123 1 1 22 CYS HA H 9.280 1.538 -3.558 1.00 . A A . 22 CYS HA 1 1 11 10124 1 1 22 CYS HB2 H 10.187 -1.005 -3.334 1.00 . A A . 22 CYS HB2 1 1 11 10125 1 1 22 CYS HB3 H 8.641 -1.252 -2.504 1.00 . A A . 22 CYS HB3 1 1 11 10126 1 1 22 CYS N N 10.399 1.016 -1.884 1.00 . A A . 22 CYS N 1 1 11 10127 1 1 22 CYS O O 8.019 1.576 -0.810 1.00 . A A . 22 CYS O 1 1 11 10128 1 1 22 CYS SG S 8.373 -0.795 -4.881 1.00 . A A . 22 CYS SG 1 1 11 10129 1 1 23 ARG C C 4.544 1.858 -3.055 1.00 . A A . 23 ARG C 1 1 11 10130 1 1 23 ARG CA C 5.768 2.123 -2.217 1.00 . A A . 23 ARG CA 1 1 11 10131 1 1 23 ARG CB C 6.175 3.614 -2.348 1.00 . A A . 23 ARG CB 1 1 11 10132 1 1 23 ARG CD C 4.134 5.196 -2.540 1.00 . A A . 23 ARG CD 1 1 11 10133 1 1 23 ARG CG C 5.295 4.683 -1.683 1.00 . A A . 23 ARG CG 1 1 11 10134 1 1 23 ARG CZ C 2.514 7.028 -1.814 1.00 . A A . 23 ARG CZ 1 1 11 10135 1 1 23 ARG H H 6.905 1.143 -3.684 1.00 . A A . 23 ARG H 1 1 11 10136 1 1 23 ARG HA H 5.539 1.880 -1.197 1.00 . A A . 23 ARG HA 1 1 11 10137 1 1 23 ARG HB2 H 7.173 3.727 -1.875 1.00 . A A . 23 ARG HB2 1 1 11 10138 1 1 23 ARG HB3 H 6.303 3.879 -3.419 1.00 . A A . 23 ARG HB3 1 1 11 10139 1 1 23 ARG HD2 H 4.470 5.402 -3.576 1.00 . A A . 23 ARG HD2 1 1 11 10140 1 1 23 ARG HD3 H 3.277 4.497 -2.529 1.00 . A A . 23 ARG HD3 1 1 11 10141 1 1 23 ARG HE H 4.499 7.024 -1.501 1.00 . A A . 23 ARG HE 1 1 11 10142 1 1 23 ARG HG2 H 4.932 4.373 -0.685 1.00 . A A . 23 ARG HG2 1 1 11 10143 1 1 23 ARG HG3 H 5.972 5.558 -1.507 1.00 . A A . 23 ARG HG3 1 1 11 10144 1 1 23 ARG HH11 H 1.472 5.624 -2.898 1.00 . A A . 23 ARG HH11 1 1 11 10145 1 1 23 ARG HH12 H 0.508 6.880 -2.225 1.00 . A A . 23 ARG HH12 1 1 11 10146 1 1 23 ARG HH21 H 3.326 8.533 -0.761 1.00 . A A . 23 ARG HH21 1 1 11 10147 1 1 23 ARG HH22 H 1.592 8.680 -0.961 1.00 . A A . 23 ARG HH22 1 1 11 10148 1 1 23 ARG N N 6.848 1.283 -2.686 1.00 . A A . 23 ARG N 1 1 11 10149 1 1 23 ARG NE N 3.766 6.501 -1.935 1.00 . A A . 23 ARG NE 1 1 11 10150 1 1 23 ARG NH1 N 1.405 6.456 -2.348 1.00 . A A . 23 ARG NH1 1 1 11 10151 1 1 23 ARG NH2 N 2.452 8.195 -1.113 1.00 . A A . 23 ARG NH2 1 1 11 10152 1 1 23 ARG O O 4.570 1.732 -4.275 1.00 . A A . 23 ARG O 1 1 11 10153 1 1 24 CYS C C 1.358 2.333 -3.311 1.00 . A A . 24 CYS C 1 1 11 10154 1 1 24 CYS CA C 2.175 1.143 -2.875 1.00 . A A . 24 CYS CA 1 1 11 10155 1 1 24 CYS CB C 1.373 0.300 -1.840 1.00 . A A . 24 CYS CB 1 1 11 10156 1 1 24 CYS H H 3.439 1.869 -1.374 1.00 . A A . 24 CYS H 1 1 11 10157 1 1 24 CYS HA H 2.378 0.547 -3.754 1.00 . A A . 24 CYS HA 1 1 11 10158 1 1 24 CYS HB2 H 2.068 -0.414 -1.349 1.00 . A A . 24 CYS HB2 1 1 11 10159 1 1 24 CYS HB3 H 0.957 0.963 -1.049 1.00 . A A . 24 CYS HB3 1 1 11 10160 1 1 24 CYS N N 3.430 1.627 -2.333 1.00 . A A . 24 CYS N 1 1 11 10161 1 1 24 CYS O O 0.848 3.079 -2.484 1.00 . A A . 24 CYS O 1 1 11 10162 1 1 24 CYS SG S 0.015 -0.661 -2.576 1.00 . A A . 24 CYS SG 1 1 11 10163 1 1 25 VAL C C -0.977 3.377 -5.086 1.00 . A A . 25 VAL C 1 1 11 10164 1 1 25 VAL CA C 0.509 3.591 -5.279 1.00 . A A . 25 VAL CA 1 1 11 10165 1 1 25 VAL CB C 0.917 3.826 -6.725 1.00 . A A . 25 VAL CB 1 1 11 10166 1 1 25 VAL CG1 C 2.442 4.051 -6.758 1.00 . A A . 25 VAL CG1 1 1 11 10167 1 1 25 VAL CG2 C 0.540 2.652 -7.636 1.00 . A A . 25 VAL CG2 1 1 11 10168 1 1 25 VAL H H 1.607 1.887 -5.279 1.00 . A A . 25 VAL H 1 1 11 10169 1 1 25 VAL HA H 0.724 4.506 -4.753 1.00 . A A . 25 VAL HA 1 1 11 10170 1 1 25 VAL HB H 0.406 4.748 -7.092 1.00 . A A . 25 VAL HB 1 1 11 10171 1 1 25 VAL HG11 H 2.771 4.347 -7.777 1.00 . A A . 25 VAL HG11 1 1 11 10172 1 1 25 VAL HG12 H 2.998 3.133 -6.476 1.00 . A A . 25 VAL HG12 1 1 11 10173 1 1 25 VAL HG13 H 2.725 4.861 -6.049 1.00 . A A . 25 VAL HG13 1 1 11 10174 1 1 25 VAL HG21 H 0.820 2.890 -8.680 1.00 . A A . 25 VAL HG21 1 1 11 10175 1 1 25 VAL HG22 H -0.549 2.440 -7.624 1.00 . A A . 25 VAL HG22 1 1 11 10176 1 1 25 VAL HG23 H 1.098 1.744 -7.345 1.00 . A A . 25 VAL HG23 1 1 11 10177 1 1 25 VAL N N 1.314 2.579 -4.631 1.00 . A A . 25 VAL N 1 1 11 10178 1 1 25 VAL O O -1.789 4.299 -5.122 1.00 . A A . 25 VAL O 1 1 11 10179 1 1 26 ASP C C -3.311 2.157 -3.382 1.00 . A A . 26 ASP C 1 1 11 10180 1 1 26 ASP CA C -2.728 1.680 -4.709 1.00 . A A . 26 ASP CA 1 1 11 10181 1 1 26 ASP CB C -2.893 0.142 -4.856 1.00 . A A . 26 ASP CB 1 1 11 10182 1 1 26 ASP CG C -4.012 -0.240 -5.812 1.00 . A A . 26 ASP CG 1 1 11 10183 1 1 26 ASP H H -0.640 1.416 -4.823 1.00 . A A . 26 ASP H 1 1 11 10184 1 1 26 ASP HA H -3.294 2.185 -5.484 1.00 . A A . 26 ASP HA 1 1 11 10185 1 1 26 ASP HB2 H -1.971 -0.303 -5.277 1.00 . A A . 26 ASP HB2 1 1 11 10186 1 1 26 ASP HB3 H -3.093 -0.334 -3.876 1.00 . A A . 26 ASP HB3 1 1 11 10187 1 1 26 ASP HD2 H -5.889 -0.159 -6.044 1.00 . A A . 26 ASP HD2 1 1 11 10188 1 1 26 ASP N N -1.358 2.099 -4.890 1.00 . A A . 26 ASP N 1 1 11 10189 1 1 26 ASP O O -2.626 2.500 -2.420 1.00 . A A . 26 ASP O 1 1 11 10190 1 1 26 ASP OD1 O -3.869 -0.933 -6.804 1.00 . A A . 26 ASP OD1 1 1 11 10191 1 1 26 ASP OD2 O -5.229 0.284 -5.484 1.00 . A A . 26 ASP OD2 1 1 11 10192 1 1 27 VAL C C -6.275 1.877 -1.639 1.00 . A A . 27 VAL C 1 1 11 10193 1 1 27 VAL CA C -5.398 2.888 -2.341 1.00 . A A . 27 VAL CA 1 1 11 10194 1 1 27 VAL CB C -6.174 3.994 -3.046 1.00 . A A . 27 VAL CB 1 1 11 10195 1 1 27 VAL CG1 C -7.604 3.601 -3.435 1.00 . A A . 27 VAL CG1 1 1 11 10196 1 1 27 VAL CG2 C -6.156 5.281 -2.222 1.00 . A A . 27 VAL CG2 1 1 11 10197 1 1 27 VAL H H -5.173 1.845 -4.105 1.00 . A A . 27 VAL H 1 1 11 10198 1 1 27 VAL HA H -4.756 3.318 -1.585 1.00 . A A . 27 VAL HA 1 1 11 10199 1 1 27 VAL HB H -5.618 4.205 -3.993 1.00 . A A . 27 VAL HB 1 1 11 10200 1 1 27 VAL HG11 H -8.223 3.461 -2.524 1.00 . A A . 27 VAL HG11 1 1 11 10201 1 1 27 VAL HG12 H -7.593 2.660 -4.027 1.00 . A A . 27 VAL HG12 1 1 11 10202 1 1 27 VAL HG13 H -8.053 4.409 -4.043 1.00 . A A . 27 VAL HG13 1 1 11 10203 1 1 27 VAL HG21 H -6.754 6.062 -2.741 1.00 . A A . 27 VAL HG21 1 1 11 10204 1 1 27 VAL HG22 H -5.110 5.637 -2.145 1.00 . A A . 27 VAL HG22 1 1 11 10205 1 1 27 VAL HG23 H -6.568 5.102 -1.212 1.00 . A A . 27 VAL HG23 1 1 11 10206 1 1 27 VAL N N -4.638 2.222 -3.352 1.00 . A A . 27 VAL N 1 1 11 10207 1 1 27 VAL O O -6.858 0.980 -2.249 1.00 . A A . 27 VAL O 1 1 11 10208 1 1 28 ARG C C -8.144 1.809 1.326 1.00 . A A . 28 ARG C 1 1 11 10209 1 1 28 ARG CA C -7.193 1.048 0.450 1.00 . A A . 28 ARG CA 1 1 11 10210 1 1 28 ARG CB C -6.315 0.204 1.384 1.00 . A A . 28 ARG CB 1 1 11 10211 1 1 28 ARG CD C -4.180 -1.195 1.454 1.00 . A A . 28 ARG CD 1 1 11 10212 1 1 28 ARG CG C -5.379 -0.745 0.629 1.00 . A A . 28 ARG CG 1 1 11 10213 1 1 28 ARG CZ C -2.087 -0.084 2.280 1.00 . A A . 28 ARG CZ 1 1 11 10214 1 1 28 ARG H H -5.847 2.644 0.205 1.00 . A A . 28 ARG H 1 1 11 10215 1 1 28 ARG HA H -7.783 0.409 -0.187 1.00 . A A . 28 ARG HA 1 1 11 10216 1 1 28 ARG HB2 H -5.702 0.909 1.988 1.00 . A A . 28 ARG HB2 1 1 11 10217 1 1 28 ARG HB3 H -6.943 -0.394 2.085 1.00 . A A . 28 ARG HB3 1 1 11 10218 1 1 28 ARG HD2 H -4.520 -1.584 2.435 1.00 . A A . 28 ARG HD2 1 1 11 10219 1 1 28 ARG HD3 H -3.612 -1.959 0.890 1.00 . A A . 28 ARG HD3 1 1 11 10220 1 1 28 ARG HE H -3.625 0.882 1.330 1.00 . A A . 28 ARG HE 1 1 11 10221 1 1 28 ARG HG2 H -5.944 -1.651 0.320 1.00 . A A . 28 ARG HG2 1 1 11 10222 1 1 28 ARG HG3 H -4.989 -0.268 -0.297 1.00 . A A . 28 ARG HG3 1 1 11 10223 1 1 28 ARG HH11 H -2.161 -2.105 2.583 1.00 . A A . 28 ARG HH11 1 1 11 10224 1 1 28 ARG HH12 H -0.719 -1.332 3.175 1.00 . A A . 28 ARG HH12 1 1 11 10225 1 1 28 ARG HH21 H -1.710 1.925 2.146 1.00 . A A . 28 ARG HH21 1 1 11 10226 1 1 28 ARG HH22 H -0.477 0.992 2.944 1.00 . A A . 28 ARG HH22 1 1 11 10227 1 1 28 ARG N N -6.377 1.971 -0.309 1.00 . A A . 28 ARG N 1 1 11 10228 1 1 28 ARG NE N -3.302 -0.002 1.663 1.00 . A A . 28 ARG NE 1 1 11 10229 1 1 28 ARG NH1 N -1.605 -1.281 2.712 1.00 . A A . 28 ARG NH1 1 1 11 10230 1 1 28 ARG NH2 N -1.350 1.048 2.465 1.00 . A A . 28 ARG NH2 1 1 11 10231 1 1 28 ARG O O -7.911 2.962 1.673 1.00 . A A . 28 ARG O 1 1 11 10232 1 1 29 GLU C C -8.984 1.356 4.197 1.00 . A A . 29 GLU C 1 1 11 10233 1 1 29 GLU CA C -9.913 1.455 2.979 1.00 . A A . 29 GLU CA 1 1 11 10234 1 1 29 GLU CB C -11.178 0.578 3.110 1.00 . A A . 29 GLU CB 1 1 11 10235 1 1 29 GLU CD C -13.593 0.304 2.387 1.00 . A A . 29 GLU CD 1 1 11 10236 1 1 29 GLU CG C -12.261 0.969 2.081 1.00 . A A . 29 GLU CG 1 1 11 10237 1 1 29 GLU H H -9.467 0.274 1.368 1.00 . A A . 29 GLU H 1 1 11 10238 1 1 29 GLU HA H -10.232 2.486 2.952 1.00 . A A . 29 GLU HA 1 1 11 10239 1 1 29 GLU HB2 H -10.915 -0.487 2.938 1.00 . A A . 29 GLU HB2 1 1 11 10240 1 1 29 GLU HB3 H -11.593 0.691 4.135 1.00 . A A . 29 GLU HB3 1 1 11 10241 1 1 29 GLU HE2 H -12.894 -1.209 1.363 1.00 . A A . 29 GLU HE2 1 1 11 10242 1 1 29 GLU HG2 H -12.425 2.066 2.115 1.00 . A A . 29 GLU HG2 1 1 11 10243 1 1 29 GLU HG3 H -11.934 0.713 1.053 1.00 . A A . 29 GLU HG3 1 1 11 10244 1 1 29 GLU N N -9.263 1.183 1.719 1.00 . A A . 29 GLU N 1 1 11 10245 1 1 29 GLU O O -8.616 2.325 4.860 1.00 . A A . 29 GLU O 1 1 11 10246 1 1 29 GLU OE1 O -14.504 0.801 3.022 1.00 . A A . 29 GLU OE1 1 1 11 10247 1 1 29 GLU OE2 O -13.710 -0.945 1.827 1.00 . A A . 29 GLU OE2 1 1 11 10248 1 1 30 SER C C -6.330 -0.089 5.513 1.00 . A A . 30 SER C 1 1 11 10249 1 1 30 SER CA C -7.806 -0.334 5.633 1.00 . A A . 30 SER CA 1 1 11 10250 1 1 30 SER CB C -8.001 -1.823 6.023 1.00 . A A . 30 SER CB 1 1 11 10251 1 1 30 SER H H -8.827 -0.614 3.861 1.00 . A A . 30 SER H 1 1 11 10252 1 1 30 SER HA H -8.126 0.262 6.477 1.00 . A A . 30 SER HA 1 1 11 10253 1 1 30 SER HB2 H -7.559 -2.500 5.257 1.00 . A A . 30 SER HB2 1 1 11 10254 1 1 30 SER HB3 H -7.484 -2.022 6.993 1.00 . A A . 30 SER HB3 1 1 11 10255 1 1 30 SER HG H -9.469 -2.944 6.657 1.00 . A A . 30 SER HG 1 1 11 10256 1 1 30 SER N N -8.628 0.104 4.516 1.00 . A A . 30 SER N 1 1 11 10257 1 1 30 SER O O -5.675 -0.472 4.548 1.00 . A A . 30 SER O 1 1 11 10258 1 1 30 SER OG O -9.394 -2.109 6.148 1.00 . A A . 30 SER OG 1 1 11 10259 1 1 31 CYS C C -3.788 -0.050 7.829 1.00 . A A . 31 CYS C 1 1 11 10260 1 1 31 CYS CA C -4.338 0.761 6.664 1.00 . A A . 31 CYS CA 1 1 11 10261 1 1 31 CYS CB C -4.031 2.268 6.791 1.00 . A A . 31 CYS CB 1 1 11 10262 1 1 31 CYS H H -6.325 0.892 7.301 1.00 . A A . 31 CYS H 1 1 11 10263 1 1 31 CYS HA H -3.845 0.390 5.775 1.00 . A A . 31 CYS HA 1 1 11 10264 1 1 31 CYS HB2 H -4.723 2.788 6.077 1.00 . A A . 31 CYS HB2 1 1 11 10265 1 1 31 CYS HB3 H -4.260 2.618 7.829 1.00 . A A . 31 CYS HB3 1 1 11 10266 1 1 31 CYS N N -5.762 0.551 6.545 1.00 . A A . 31 CYS N 1 1 11 10267 1 1 31 CYS O O -4.517 -0.631 8.630 1.00 . A A . 31 CYS O 1 1 11 10268 1 1 31 CYS SG S -2.328 2.688 6.320 1.00 . A A . 31 CYS SG 1 1 11 10269 1 1 32 HIS C C -0.891 -0.559 9.747 1.00 . A A . 32 HIS C 1 1 11 10270 1 1 32 HIS CA C -1.782 -1.171 8.711 1.00 . A A . 32 HIS CA 1 1 11 10271 1 1 32 HIS CB C -0.872 -2.028 7.804 1.00 . A A . 32 HIS CB 1 1 11 10272 1 1 32 HIS CD2 C 0.745 -3.989 8.416 1.00 . A A . 32 HIS CD2 1 1 11 10273 1 1 32 HIS CE1 C -0.813 -5.396 9.017 1.00 . A A . 32 HIS CE1 1 1 11 10274 1 1 32 HIS CG C -0.457 -3.370 8.315 1.00 . A A . 32 HIS CG 1 1 11 10275 1 1 32 HIS H H -1.881 0.402 7.333 1.00 . A A . 32 HIS H 1 1 11 10276 1 1 32 HIS HA H -2.495 -1.818 9.196 1.00 . A A . 32 HIS HA 1 1 11 10277 1 1 32 HIS HB2 H -1.509 -2.276 6.935 1.00 . A A . 32 HIS HB2 1 1 11 10278 1 1 32 HIS HB3 H 0.023 -1.463 7.470 1.00 . A A . 32 HIS HB3 1 1 11 10279 1 1 32 HIS HD1 H -2.396 -4.144 8.598 1.00 . A A . 32 HIS HD1 1 1 11 10280 1 1 32 HIS HD2 H 1.749 -3.660 8.160 1.00 . A A . 32 HIS HD2 1 1 11 10281 1 1 32 HIS HE1 H -1.340 -6.274 9.309 1.00 . A A . 32 HIS HE1 1 1 11 10282 1 1 32 HIS HE2 H 1.189 -5.962 9.003 1.00 . A A . 32 HIS HE2 1 1 11 10283 1 1 32 HIS N N -2.453 -0.172 7.906 1.00 . A A . 32 HIS N 1 1 11 10284 1 1 32 HIS ND1 N -1.409 -4.270 8.686 1.00 . A A . 32 HIS ND1 1 1 11 10285 1 1 32 HIS NE2 N 0.496 -5.250 8.873 1.00 . A A . 32 HIS NE2 1 1 11 10286 1 1 32 HIS O O -0.421 0.565 9.593 1.00 . A A . 32 HIS O 1 1 11 10287 1 1 33 SER C C 1.716 -0.548 11.472 1.00 . A A . 33 SER C 1 1 11 10288 1 1 33 SER CA C 0.335 -1.009 11.891 1.00 . A A . 33 SER CA 1 1 11 10289 1 1 33 SER CB C 0.515 -2.212 12.851 1.00 . A A . 33 SER CB 1 1 11 10290 1 1 33 SER H H -1.025 -2.222 10.895 1.00 . A A . 33 SER H 1 1 11 10291 1 1 33 SER HA H -0.126 -0.184 12.409 1.00 . A A . 33 SER HA 1 1 11 10292 1 1 33 SER HB2 H 1.058 -3.033 12.325 1.00 . A A . 33 SER HB2 1 1 11 10293 1 1 33 SER HB3 H 1.120 -1.937 13.747 1.00 . A A . 33 SER HB3 1 1 11 10294 1 1 33 SER HG H -1.152 -2.040 13.849 1.00 . A A . 33 SER HG 1 1 11 10295 1 1 33 SER N N -0.554 -1.352 10.778 1.00 . A A . 33 SER N 1 1 11 10296 1 1 33 SER O O 2.391 0.214 12.158 1.00 . A A . 33 SER O 1 1 11 10297 1 1 33 SER OG O -0.765 -2.705 13.252 1.00 . A A . 33 SER OG 1 1 11 10298 1 1 34 ALA C C 3.418 0.872 9.195 1.00 . A A . 34 ALA C 1 1 11 10299 1 1 34 ALA CA C 3.354 -0.591 9.603 1.00 . A A . 34 ALA CA 1 1 11 10300 1 1 34 ALA CB C 3.515 -1.461 8.347 1.00 . A A . 34 ALA CB 1 1 11 10301 1 1 34 ALA H H 1.575 -1.623 9.794 1.00 . A A . 34 ALA H 1 1 11 10302 1 1 34 ALA HA H 4.163 -0.770 10.290 1.00 . A A . 34 ALA HA 1 1 11 10303 1 1 34 ALA HB1 H 3.494 -2.536 8.633 1.00 . A A . 34 ALA HB1 1 1 11 10304 1 1 34 ALA HB2 H 4.500 -1.280 7.862 1.00 . A A . 34 ALA HB2 1 1 11 10305 1 1 34 ALA HB3 H 2.723 -1.278 7.593 1.00 . A A . 34 ALA HB3 1 1 11 10306 1 1 34 ALA N N 2.135 -0.968 10.269 1.00 . A A . 34 ALA N 1 1 11 10307 1 1 34 ALA O O 4.486 1.466 9.077 1.00 . A A . 34 ALA O 1 1 11 10308 1 1 35 CYS C C 1.718 3.765 9.721 1.00 . A A . 35 CYS C 1 1 11 10309 1 1 35 CYS CA C 2.192 2.895 8.565 1.00 . A A . 35 CYS CA 1 1 11 10310 1 1 35 CYS CB C 1.245 3.095 7.362 1.00 . A A . 35 CYS CB 1 1 11 10311 1 1 35 CYS H H 1.397 1.043 9.169 1.00 . A A . 35 CYS H 1 1 11 10312 1 1 35 CYS HA H 3.171 3.237 8.262 1.00 . A A . 35 CYS HA 1 1 11 10313 1 1 35 CYS HB2 H 1.548 2.354 6.582 1.00 . A A . 35 CYS HB2 1 1 11 10314 1 1 35 CYS HB3 H 0.203 2.867 7.697 1.00 . A A . 35 CYS HB3 1 1 11 10315 1 1 35 CYS N N 2.259 1.505 8.957 1.00 . A A . 35 CYS N 1 1 11 10316 1 1 35 CYS O O 0.606 3.631 10.229 1.00 . A A . 35 CYS O 1 1 11 10317 1 1 35 CYS SG S 1.351 4.783 6.674 1.00 . A A . 35 CYS SG 1 1 11 10318 1 1 36 ASP C C 1.371 6.831 10.549 1.00 . A A . 36 ASP C 1 1 11 10319 1 1 36 ASP CA C 2.267 5.731 11.119 1.00 . A A . 36 ASP CA 1 1 11 10320 1 1 36 ASP CB C 3.604 6.288 11.710 1.00 . A A . 36 ASP CB 1 1 11 10321 1 1 36 ASP CG C 4.483 7.095 10.758 1.00 . A A . 36 ASP CG 1 1 11 10322 1 1 36 ASP H H 3.501 4.707 9.779 1.00 . A A . 36 ASP H 1 1 11 10323 1 1 36 ASP HA H 1.706 5.263 11.922 1.00 . A A . 36 ASP HA 1 1 11 10324 1 1 36 ASP HB2 H 3.368 6.950 12.569 1.00 . A A . 36 ASP HB2 1 1 11 10325 1 1 36 ASP HB3 H 4.200 5.437 12.090 1.00 . A A . 36 ASP HB3 1 1 11 10326 1 1 36 ASP HD2 H 5.208 5.424 9.999 1.00 . A A . 36 ASP HD2 1 1 11 10327 1 1 36 ASP N N 2.565 4.724 10.125 1.00 . A A . 36 ASP N 1 1 11 10328 1 1 36 ASP O O 0.328 7.193 11.087 1.00 . A A . 36 ASP O 1 1 11 10329 1 1 36 ASP OD1 O 4.658 8.297 10.815 1.00 . A A . 36 ASP OD1 1 1 11 10330 1 1 36 ASP OD2 O 5.067 6.358 9.745 1.00 . A A . 36 ASP OD2 1 1 11 10331 1 1 37 LYS C C 0.275 8.130 7.640 1.00 . A A . 37 LYS C 1 1 11 10332 1 1 37 LYS CA C 1.178 8.547 8.786 1.00 . A A . 37 LYS CA 1 1 11 10333 1 1 37 LYS CB C 2.324 9.464 8.313 1.00 . A A . 37 LYS CB 1 1 11 10334 1 1 37 LYS CD C 3.206 11.766 7.808 1.00 . A A . 37 LYS CD 1 1 11 10335 1 1 37 LYS CE C 2.986 13.282 7.757 1.00 . A A . 37 LYS CE 1 1 11 10336 1 1 37 LYS CG C 1.943 10.933 8.090 1.00 . A A . 37 LYS CG 1 1 11 10337 1 1 37 LYS H H 2.589 7.034 8.959 1.00 . A A . 37 LYS H 1 1 11 10338 1 1 37 LYS HA H 0.572 9.075 9.507 1.00 . A A . 37 LYS HA 1 1 11 10339 1 1 37 LYS HB2 H 3.108 9.452 9.103 1.00 . A A . 37 LYS HB2 1 1 11 10340 1 1 37 LYS HB3 H 2.806 9.059 7.401 1.00 . A A . 37 LYS HB3 1 1 11 10341 1 1 37 LYS HD2 H 3.956 11.554 8.607 1.00 . A A . 37 LYS HD2 1 1 11 10342 1 1 37 LYS HD3 H 3.655 11.431 6.845 1.00 . A A . 37 LYS HD3 1 1 11 10343 1 1 37 LYS HE2 H 2.253 13.558 6.971 1.00 . A A . 37 LYS HE2 1 1 11 10344 1 1 37 LYS HE3 H 2.636 13.655 8.742 1.00 . A A . 37 LYS HE3 1 1 11 10345 1 1 37 LYS HG2 H 1.216 11.013 7.254 1.00 . A A . 37 LYS HG2 1 1 11 10346 1 1 37 LYS HG3 H 1.440 11.301 9.011 1.00 . A A . 37 LYS HG3 1 1 11 10347 1 1 37 LYS HZ1 H 4.544 13.745 6.470 1.00 . A A . 37 LYS HZ1 1 1 11 10348 1 1 37 LYS HZ2 H 4.999 13.618 8.099 1.00 . A A . 37 LYS HZ2 1 1 11 10349 1 1 37 LYS HZ3 H 4.154 14.990 7.560 1.00 . A A . 37 LYS HZ3 1 1 11 10350 1 1 37 LYS N N 1.774 7.385 9.400 1.00 . A A . 37 LYS N 1 1 11 10351 1 1 37 LYS NZ N 4.264 13.962 7.448 1.00 . A A . 37 LYS NZ 1 1 11 10352 1 1 37 LYS O O 0.504 8.410 6.466 1.00 . A A . 37 LYS O 1 1 11 10353 1 1 38 CYS C C -2.855 7.980 6.799 1.00 . A A . 38 CYS C 1 1 11 10354 1 1 38 CYS CA C -1.753 6.961 6.965 1.00 . A A . 38 CYS CA 1 1 11 10355 1 1 38 CYS CB C -2.276 5.554 7.288 1.00 . A A . 38 CYS CB 1 1 11 10356 1 1 38 CYS H H -0.923 7.045 8.881 1.00 . A A . 38 CYS H 1 1 11 10357 1 1 38 CYS HA H -1.261 6.922 6.001 1.00 . A A . 38 CYS HA 1 1 11 10358 1 1 38 CYS HB2 H -1.486 5.071 7.913 1.00 . A A . 38 CYS HB2 1 1 11 10359 1 1 38 CYS HB3 H -3.205 5.608 7.903 1.00 . A A . 38 CYS HB3 1 1 11 10360 1 1 38 CYS N N -0.776 7.360 7.948 1.00 . A A . 38 CYS N 1 1 11 10361 1 1 38 CYS O O -3.687 8.184 7.682 1.00 . A A . 38 CYS O 1 1 11 10362 1 1 38 CYS SG S -2.516 4.609 5.751 1.00 . A A . 38 CYS SG 1 1 11 10363 1 1 39 VAL C C -4.937 9.387 4.622 1.00 . A A . 39 VAL C 1 1 11 10364 1 1 39 VAL CA C -3.666 9.816 5.371 1.00 . A A . 39 VAL CA 1 1 11 10365 1 1 39 VAL CB C -2.742 10.830 4.705 1.00 . A A . 39 VAL CB 1 1 11 10366 1 1 39 VAL CG1 C -2.348 10.516 3.259 1.00 . A A . 39 VAL CG1 1 1 11 10367 1 1 39 VAL CG2 C -3.313 12.237 4.794 1.00 . A A . 39 VAL CG2 1 1 11 10368 1 1 39 VAL H H -2.201 8.478 4.920 1.00 . A A . 39 VAL H 1 1 11 10369 1 1 39 VAL HA H -3.967 10.263 6.303 1.00 . A A . 39 VAL HA 1 1 11 10370 1 1 39 VAL HB H -1.787 10.818 5.289 1.00 . A A . 39 VAL HB 1 1 11 10371 1 1 39 VAL HG11 H -1.632 11.298 2.917 1.00 . A A . 39 VAL HG11 1 1 11 10372 1 1 39 VAL HG12 H -3.239 10.566 2.599 1.00 . A A . 39 VAL HG12 1 1 11 10373 1 1 39 VAL HG13 H -1.867 9.524 3.175 1.00 . A A . 39 VAL HG13 1 1 11 10374 1 1 39 VAL HG21 H -2.546 12.928 4.380 1.00 . A A . 39 VAL HG21 1 1 11 10375 1 1 39 VAL HG22 H -3.514 12.500 5.853 1.00 . A A . 39 VAL HG22 1 1 11 10376 1 1 39 VAL HG23 H -4.239 12.313 4.187 1.00 . A A . 39 VAL HG23 1 1 11 10377 1 1 39 VAL N N -2.850 8.672 5.653 1.00 . A A . 39 VAL N 1 1 11 10378 1 1 39 VAL O O -4.936 9.014 3.447 1.00 . A A . 39 VAL O 1 1 11 10379 1 1 40 CYS C C -8.229 9.999 4.330 1.00 . A A . 40 CYS C 1 1 11 10380 1 1 40 CYS CA C -7.351 8.869 4.835 1.00 . A A . 40 CYS CA 1 1 11 10381 1 1 40 CYS CB C -8.138 8.010 5.842 1.00 . A A . 40 CYS CB 1 1 11 10382 1 1 40 CYS H H -6.089 9.536 6.329 1.00 . A A . 40 CYS H 1 1 11 10383 1 1 40 CYS HA H -7.191 8.241 3.983 1.00 . A A . 40 CYS HA 1 1 11 10384 1 1 40 CYS HB2 H -8.392 8.649 6.701 1.00 . A A . 40 CYS HB2 1 1 11 10385 1 1 40 CYS HB3 H -9.094 7.734 5.369 1.00 . A A . 40 CYS HB3 1 1 11 10386 1 1 40 CYS N N -6.069 9.297 5.353 1.00 . A A . 40 CYS N 1 1 11 10387 1 1 40 CYS O O -8.644 10.888 5.077 1.00 . A A . 40 CYS O 1 1 11 10388 1 1 40 CYS SG S -7.324 6.481 6.447 1.00 . A A . 40 CYS SG 1 1 11 10389 1 1 41 ALA C C -11.036 10.073 2.902 1.00 . A A . 41 ALA C 1 1 11 10390 1 1 41 ALA CA C -9.705 10.684 2.477 1.00 . A A . 41 ALA CA 1 1 11 10391 1 1 41 ALA CB C -9.619 10.836 0.956 1.00 . A A . 41 ALA CB 1 1 11 10392 1 1 41 ALA H H -8.256 9.205 2.504 1.00 . A A . 41 ALA H 1 1 11 10393 1 1 41 ALA HA H -9.712 11.690 2.875 1.00 . A A . 41 ALA HA 1 1 11 10394 1 1 41 ALA HB1 H -8.655 11.319 0.689 1.00 . A A . 41 ALA HB1 1 1 11 10395 1 1 41 ALA HB2 H -10.446 11.487 0.591 1.00 . A A . 41 ALA HB2 1 1 11 10396 1 1 41 ALA HB3 H -9.674 9.851 0.457 1.00 . A A . 41 ALA HB3 1 1 11 10397 1 1 41 ALA N N -8.548 10.008 3.028 1.00 . A A . 41 ALA N 1 1 11 10398 1 1 41 ALA O O -11.188 8.858 3.043 1.00 . A A . 41 ALA O 1 1 11 10399 1 1 42 TYR C C -14.333 9.915 2.639 1.00 . A A . 42 TYR C 1 1 11 10400 1 1 42 TYR CA C -13.356 10.545 3.618 1.00 . A A . 42 TYR CA 1 1 11 10401 1 1 42 TYR CB C -13.995 11.798 4.273 1.00 . A A . 42 TYR CB 1 1 11 10402 1 1 42 TYR CD1 C -15.488 12.866 2.522 1.00 . A A . 42 TYR CD1 1 1 11 10403 1 1 42 TYR CD2 C -13.454 14.013 3.134 1.00 . A A . 42 TYR CD2 1 1 11 10404 1 1 42 TYR CE1 C -15.808 13.894 1.630 1.00 . A A . 42 TYR CE1 1 1 11 10405 1 1 42 TYR CE2 C -13.790 15.059 2.262 1.00 . A A . 42 TYR CE2 1 1 11 10406 1 1 42 TYR CG C -14.312 12.912 3.294 1.00 . A A . 42 TYR CG 1 1 11 10407 1 1 42 TYR CZ C -14.981 15.010 1.523 1.00 . A A . 42 TYR CZ 1 1 11 10408 1 1 42 TYR H H -11.932 11.887 2.920 1.00 . A A . 42 TYR H 1 1 11 10409 1 1 42 TYR HA H -13.186 9.817 4.388 1.00 . A A . 42 TYR HA 1 1 11 10410 1 1 42 TYR HB2 H -14.931 11.521 4.805 1.00 . A A . 42 TYR HB2 1 1 11 10411 1 1 42 TYR HB3 H -13.268 12.175 5.024 1.00 . A A . 42 TYR HB3 1 1 11 10412 1 1 42 TYR HD1 H -16.165 12.030 2.601 1.00 . A A . 42 TYR HD1 1 1 11 10413 1 1 42 TYR HD2 H -12.525 14.071 3.684 1.00 . A A . 42 TYR HD2 1 1 11 10414 1 1 42 TYR HE1 H -16.704 13.820 1.035 1.00 . A A . 42 TYR HE1 1 1 11 10415 1 1 42 TYR HE2 H -13.112 15.891 2.178 1.00 . A A . 42 TYR HE2 1 1 11 10416 1 1 42 TYR HH H -14.723 16.783 0.799 1.00 . A A . 42 TYR HH 1 1 11 10417 1 1 42 TYR N N -12.068 10.912 3.058 1.00 . A A . 42 TYR N 1 1 11 10418 1 1 42 TYR O O -15.499 9.692 2.949 1.00 . A A . 42 TYR O 1 1 11 10419 1 1 42 TYR OH O -15.384 16.077 0.690 1.00 . A A . 42 TYR OH 1 1 11 10420 1 1 43 SER C C -15.499 8.186 0.145 1.00 . A A . 43 SER C 1 1 11 10421 1 1 43 SER CA C -14.569 9.398 0.185 1.00 . A A . 43 SER CA 1 1 11 10422 1 1 43 SER CB C -13.546 9.306 -0.977 1.00 . A A . 43 SER CB 1 1 11 10423 1 1 43 SER H H -12.891 9.885 1.298 1.00 . A A . 43 SER H 1 1 11 10424 1 1 43 SER HA H -15.196 10.251 -0.018 1.00 . A A . 43 SER HA 1 1 11 10425 1 1 43 SER HB2 H -13.010 8.327 -0.915 1.00 . A A . 43 SER HB2 1 1 11 10426 1 1 43 SER HB3 H -14.066 9.410 -1.957 1.00 . A A . 43 SER HB3 1 1 11 10427 1 1 43 SER HG H -12.007 10.288 -1.688 1.00 . A A . 43 SER HG 1 1 11 10428 1 1 43 SER N N -13.851 9.665 1.421 1.00 . A A . 43 SER N 1 1 11 10429 1 1 43 SER O O -16.039 7.715 1.142 1.00 . A A . 43 SER O 1 1 11 10430 1 1 43 SER OG O -12.571 10.346 -0.876 1.00 . A A . 43 SER OG 1 1 11 10431 1 1 44 ASN C C -16.387 5.672 -2.343 1.00 . A A . 44 ASN C 1 1 11 10432 1 1 44 ASN CA C -16.795 6.673 -1.263 1.00 . A A . 44 ASN CA 1 1 11 10433 1 1 44 ASN CB C -18.017 7.493 -1.740 1.00 . A A . 44 ASN CB 1 1 11 10434 1 1 44 ASN CG C -19.321 6.714 -1.722 1.00 . A A . 44 ASN CG 1 1 11 10435 1 1 44 ASN H H -15.321 7.965 -1.873 1.00 . A A . 44 ASN H 1 1 11 10436 1 1 44 ASN HA H -17.018 6.156 -0.348 1.00 . A A . 44 ASN HA 1 1 11 10437 1 1 44 ASN HB2 H -18.135 8.332 -1.026 1.00 . A A . 44 ASN HB2 1 1 11 10438 1 1 44 ASN HB3 H -17.839 7.942 -2.734 1.00 . A A . 44 ASN HB3 1 1 11 10439 1 1 44 ASN HD21 H -18.803 5.550 -3.324 1.00 . A A . 44 ASN HD21 1 1 11 10440 1 1 44 ASN HD22 H -20.342 5.218 -2.633 1.00 . A A . 44 ASN HD22 1 1 11 10441 1 1 44 ASN N N -15.730 7.616 -1.047 1.00 . A A . 44 ASN N 1 1 11 10442 1 1 44 ASN ND2 N -19.506 5.757 -2.651 1.00 . A A . 44 ASN ND2 1 1 11 10443 1 1 44 ASN O O -16.510 5.973 -3.531 1.00 . A A . 44 ASN O 1 1 11 10444 1 1 44 ASN OD1 O -20.174 6.975 -0.871 1.00 . A A . 44 ASN OD1 1 1 11 10445 1 1 45 PRO C C -14.368 4.785 -0.106 1.00 . A A . 45 PRO C 1 1 11 10446 1 1 45 PRO CA C -15.592 4.045 -0.638 1.00 . A A . 45 PRO CA 1 1 11 10447 1 1 45 PRO CB C -15.343 2.543 -0.834 1.00 . A A . 45 PRO CB 1 1 11 10448 1 1 45 PRO CD C -15.479 3.531 -3.012 1.00 . A A . 45 PRO CD 1 1 11 10449 1 1 45 PRO CG C -14.747 2.433 -2.240 1.00 . A A . 45 PRO CG 1 1 11 10450 1 1 45 PRO HA H -16.424 4.252 0.018 1.00 . A A . 45 PRO HA 1 1 11 10451 1 1 45 PRO HB2 H -14.717 2.097 -0.048 1.00 . A A . 45 PRO HB2 1 1 11 10452 1 1 45 PRO HB3 H -16.310 2.006 -0.791 1.00 . A A . 45 PRO HB3 1 1 11 10453 1 1 45 PRO HD2 H -14.808 4.017 -3.757 1.00 . A A . 45 PRO HD2 1 1 11 10454 1 1 45 PRO HD3 H -16.376 3.129 -3.530 1.00 . A A . 45 PRO HD3 1 1 11 10455 1 1 45 PRO HG2 H -13.662 2.663 -2.205 1.00 . A A . 45 PRO HG2 1 1 11 10456 1 1 45 PRO HG3 H -14.880 1.432 -2.693 1.00 . A A . 45 PRO HG3 1 1 11 10457 1 1 45 PRO N N -15.917 4.482 -1.994 1.00 . A A . 45 PRO N 1 1 11 10458 1 1 45 PRO O O -13.671 5.400 -0.918 1.00 . A A . 45 PRO O 1 1 11 10459 1 1 46 PRO C C -11.680 5.292 1.254 1.00 . A A . 46 PRO C 1 1 11 10460 1 1 46 PRO CA C -13.047 5.705 1.727 1.00 . A A . 46 PRO CA 1 1 11 10461 1 1 46 PRO CB C -13.214 5.612 3.244 1.00 . A A . 46 PRO CB 1 1 11 10462 1 1 46 PRO CD C -14.853 4.185 2.242 1.00 . A A . 46 PRO CD 1 1 11 10463 1 1 46 PRO CG C -13.950 4.295 3.468 1.00 . A A . 46 PRO CG 1 1 11 10464 1 1 46 PRO HA H -13.202 6.711 1.378 1.00 . A A . 46 PRO HA 1 1 11 10465 1 1 46 PRO HB2 H -12.251 5.665 3.792 1.00 . A A . 46 PRO HB2 1 1 11 10466 1 1 46 PRO HB3 H -13.872 6.442 3.587 1.00 . A A . 46 PRO HB3 1 1 11 10467 1 1 46 PRO HD2 H -15.046 3.106 2.001 1.00 . A A . 46 PRO HD2 1 1 11 10468 1 1 46 PRO HD3 H -15.787 4.785 2.412 1.00 . A A . 46 PRO HD3 1 1 11 10469 1 1 46 PRO HG2 H -13.220 3.458 3.486 1.00 . A A . 46 PRO HG2 1 1 11 10470 1 1 46 PRO HG3 H -14.521 4.313 4.413 1.00 . A A . 46 PRO HG3 1 1 11 10471 1 1 46 PRO N N -14.083 4.835 1.190 1.00 . A A . 46 PRO N 1 1 11 10472 1 1 46 PRO O O -11.472 4.151 0.846 1.00 . A A . 46 PRO O 1 1 11 10473 1 1 47 GLN C C -8.424 6.417 1.434 1.00 . A A . 47 GLN C 1 1 11 10474 1 1 47 GLN CA C -9.514 6.028 0.495 1.00 . A A . 47 GLN CA 1 1 11 10475 1 1 47 GLN CB C -9.417 6.931 -0.755 1.00 . A A . 47 GLN CB 1 1 11 10476 1 1 47 GLN CD C -10.476 5.753 -2.748 1.00 . A A . 47 GLN CD 1 1 11 10477 1 1 47 GLN CG C -10.617 6.861 -1.717 1.00 . A A . 47 GLN CG 1 1 11 10478 1 1 47 GLN H H -10.828 7.122 1.683 1.00 . A A . 47 GLN H 1 1 11 10479 1 1 47 GLN HA H -9.363 4.990 0.238 1.00 . A A . 47 GLN HA 1 1 11 10480 1 1 47 GLN HB2 H -9.361 7.989 -0.419 1.00 . A A . 47 GLN HB2 1 1 11 10481 1 1 47 GLN HB3 H -8.487 6.699 -1.314 1.00 . A A . 47 GLN HB3 1 1 11 10482 1 1 47 GLN HE21 H -11.257 4.405 -1.468 1.00 . A A . 47 GLN HE21 1 1 11 10483 1 1 47 GLN HE22 H -10.878 3.815 -3.086 1.00 . A A . 47 GLN HE22 1 1 11 10484 1 1 47 GLN HG2 H -11.567 6.743 -1.170 1.00 . A A . 47 GLN HG2 1 1 11 10485 1 1 47 GLN HG3 H -10.662 7.811 -2.285 1.00 . A A . 47 GLN HG3 1 1 11 10486 1 1 47 GLN N N -10.742 6.242 1.210 1.00 . A A . 47 GLN N 1 1 11 10487 1 1 47 GLN NE2 N -10.889 4.529 -2.386 1.00 . A A . 47 GLN NE2 1 1 11 10488 1 1 47 GLN O O -8.553 7.378 2.179 1.00 . A A . 47 GLN O 1 1 11 10489 1 1 47 GLN OE1 O -10.005 6.000 -3.861 1.00 . A A . 47 GLN OE1 1 1 11 10490 1 1 48 CYS C C -4.997 5.444 1.864 1.00 . A A . 48 CYS C 1 1 11 10491 1 1 48 CYS CA C -6.297 5.950 2.402 1.00 . A A . 48 CYS CA 1 1 11 10492 1 1 48 CYS CB C -6.635 5.241 3.735 1.00 . A A . 48 CYS CB 1 1 11 10493 1 1 48 CYS H H -7.268 4.822 0.962 1.00 . A A . 48 CYS H 1 1 11 10494 1 1 48 CYS HA H -6.174 7.006 2.555 1.00 . A A . 48 CYS HA 1 1 11 10495 1 1 48 CYS HB2 H -7.736 5.294 3.865 1.00 . A A . 48 CYS HB2 1 1 11 10496 1 1 48 CYS HB3 H -6.392 4.163 3.660 1.00 . A A . 48 CYS HB3 1 1 11 10497 1 1 48 CYS N N -7.298 5.715 1.408 1.00 . A A . 48 CYS N 1 1 11 10498 1 1 48 CYS O O -4.898 4.381 1.244 1.00 . A A . 48 CYS O 1 1 11 10499 1 1 48 CYS SG S -5.814 6.007 5.164 1.00 . A A . 48 CYS SG 1 1 11 10500 1 1 49 GLN C C -1.673 6.275 2.609 1.00 . A A . 49 GLN C 1 1 11 10501 1 1 49 GLN CA C -2.668 6.128 1.495 1.00 . A A . 49 GLN CA 1 1 11 10502 1 1 49 GLN CB C -2.376 7.185 0.409 1.00 . A A . 49 GLN CB 1 1 11 10503 1 1 49 GLN CD C -2.648 7.774 -2.047 1.00 . A A . 49 GLN CD 1 1 11 10504 1 1 49 GLN CG C -3.038 6.819 -0.926 1.00 . A A . 49 GLN CG 1 1 11 10505 1 1 49 GLN H H -4.118 7.158 2.535 1.00 . A A . 49 GLN H 1 1 11 10506 1 1 49 GLN HA H -2.549 5.131 1.105 1.00 . A A . 49 GLN HA 1 1 11 10507 1 1 49 GLN HB2 H -2.799 8.158 0.750 1.00 . A A . 49 GLN HB2 1 1 11 10508 1 1 49 GLN HB3 H -1.281 7.292 0.236 1.00 . A A . 49 GLN HB3 1 1 11 10509 1 1 49 GLN HE21 H -4.603 8.102 -2.465 1.00 . A A . 49 GLN HE21 1 1 11 10510 1 1 49 GLN HE22 H -3.456 8.916 -3.499 1.00 . A A . 49 GLN HE22 1 1 11 10511 1 1 49 GLN HG2 H -2.739 5.795 -1.229 1.00 . A A . 49 GLN HG2 1 1 11 10512 1 1 49 GLN HG3 H -4.134 6.852 -0.765 1.00 . A A . 49 GLN HG3 1 1 11 10513 1 1 49 GLN N N -3.984 6.305 2.026 1.00 . A A . 49 GLN N 1 1 11 10514 1 1 49 GLN NE2 N -3.670 8.313 -2.740 1.00 . A A . 49 GLN NE2 1 1 11 10515 1 1 49 GLN O O -1.820 7.077 3.525 1.00 . A A . 49 GLN O 1 1 11 10516 1 1 49 GLN OE1 O -1.476 8.051 -2.312 1.00 . A A . 49 GLN OE1 1 1 11 10517 1 1 50 CYS C C 1.431 6.757 2.845 1.00 . A A . 50 CYS C 1 1 11 10518 1 1 50 CYS CA C 0.528 5.709 3.442 1.00 . A A . 50 CYS CA 1 1 11 10519 1 1 50 CYS CB C 1.330 4.410 3.701 1.00 . A A . 50 CYS CB 1 1 11 10520 1 1 50 CYS H H -0.475 4.887 1.770 1.00 . A A . 50 CYS H 1 1 11 10521 1 1 50 CYS HA H 0.184 6.114 4.386 1.00 . A A . 50 CYS HA 1 1 11 10522 1 1 50 CYS HB2 H 0.616 3.596 3.951 1.00 . A A . 50 CYS HB2 1 1 11 10523 1 1 50 CYS HB3 H 1.851 4.120 2.766 1.00 . A A . 50 CYS HB3 1 1 11 10524 1 1 50 CYS N N -0.589 5.497 2.547 1.00 . A A . 50 CYS N 1 1 11 10525 1 1 50 CYS O O 1.903 6.615 1.723 1.00 . A A . 50 CYS O 1 1 11 10526 1 1 50 CYS SG S 2.539 4.585 5.051 1.00 . A A . 50 CYS SG 1 1 11 10527 1 1 51 TYR C C 3.855 8.635 2.754 1.00 . A A . 51 TYR C 1 1 11 10528 1 1 51 TYR CA C 2.455 8.993 3.243 1.00 . A A . 51 TYR CA 1 1 11 10529 1 1 51 TYR CB C 2.487 9.927 4.473 1.00 . A A . 51 TYR CB 1 1 11 10530 1 1 51 TYR CD1 C 3.956 11.837 3.793 1.00 . A A . 51 TYR CD1 1 1 11 10531 1 1 51 TYR CD2 C 1.578 12.230 4.048 1.00 . A A . 51 TYR CD2 1 1 11 10532 1 1 51 TYR CE1 C 4.143 13.175 3.450 1.00 . A A . 51 TYR CE1 1 1 11 10533 1 1 51 TYR CE2 C 1.767 13.570 3.701 1.00 . A A . 51 TYR CE2 1 1 11 10534 1 1 51 TYR CG C 2.677 11.353 4.092 1.00 . A A . 51 TYR CG 1 1 11 10535 1 1 51 TYR CZ C 3.054 14.048 3.406 1.00 . A A . 51 TYR CZ 1 1 11 10536 1 1 51 TYR H H 1.223 7.897 4.505 1.00 . A A . 51 TYR H 1 1 11 10537 1 1 51 TYR HA H 1.952 9.489 2.428 1.00 . A A . 51 TYR HA 1 1 11 10538 1 1 51 TYR HB2 H 1.515 9.874 4.993 1.00 . A A . 51 TYR HB2 1 1 11 10539 1 1 51 TYR HB3 H 3.253 9.640 5.215 1.00 . A A . 51 TYR HB3 1 1 11 10540 1 1 51 TYR HD1 H 4.826 11.199 3.817 1.00 . A A . 51 TYR HD1 1 1 11 10541 1 1 51 TYR HD2 H 0.569 11.901 4.280 1.00 . A A . 51 TYR HD2 1 1 11 10542 1 1 51 TYR HE1 H 5.147 13.488 3.223 1.00 . A A . 51 TYR HE1 1 1 11 10543 1 1 51 TYR HE2 H 0.889 14.192 3.674 1.00 . A A . 51 TYR HE2 1 1 11 10544 1 1 51 TYR HH H 4.242 15.500 2.944 1.00 . A A . 51 TYR HH 1 1 11 10545 1 1 51 TYR N N 1.643 7.848 3.600 1.00 . A A . 51 TYR N 1 1 11 10546 1 1 51 TYR O O 4.333 9.084 1.711 1.00 . A A . 51 TYR O 1 1 11 10547 1 1 51 TYR OH O 3.275 15.391 3.051 1.00 . A A . 51 TYR OH 1 1 11 10548 1 1 52 ASP C C 6.028 6.020 2.615 1.00 . A A . 52 ASP C 1 1 11 10549 1 1 52 ASP CA C 5.882 7.341 3.374 1.00 . A A . 52 ASP CA 1 1 11 10550 1 1 52 ASP CB C 6.589 7.324 4.760 1.00 . A A . 52 ASP CB 1 1 11 10551 1 1 52 ASP CG C 5.967 6.398 5.800 1.00 . A A . 52 ASP CG 1 1 11 10552 1 1 52 ASP H H 4.030 7.443 4.344 1.00 . A A . 52 ASP H 1 1 11 10553 1 1 52 ASP HA H 6.412 8.065 2.767 1.00 . A A . 52 ASP HA 1 1 11 10554 1 1 52 ASP HB2 H 7.654 7.049 4.654 1.00 . A A . 52 ASP HB2 1 1 11 10555 1 1 52 ASP HB3 H 6.540 8.359 5.162 1.00 . A A . 52 ASP HB3 1 1 11 10556 1 1 52 ASP HD2 H 5.270 6.497 7.560 1.00 . A A . 52 ASP HD2 1 1 11 10557 1 1 52 ASP N N 4.520 7.787 3.552 1.00 . A A . 52 ASP N 1 1 11 10558 1 1 52 ASP O O 5.074 5.295 2.324 1.00 . A A . 52 ASP O 1 1 11 10559 1 1 52 ASP OD1 O 6.023 5.183 5.827 1.00 . A A . 52 ASP OD1 1 1 11 10560 1 1 52 ASP OD2 O 5.309 7.078 6.799 1.00 . A A . 52 ASP OD2 1 1 11 10561 1 1 53 THR C C 7.320 3.213 2.463 1.00 . A A . 53 THR C 1 1 11 10562 1 1 53 THR CA C 7.652 4.426 1.628 1.00 . A A . 53 THR CA 1 1 11 10563 1 1 53 THR CB C 9.118 4.338 1.214 1.00 . A A . 53 THR CB 1 1 11 10564 1 1 53 THR CG2 C 9.333 5.166 -0.059 1.00 . A A . 53 THR CG2 1 1 11 10565 1 1 53 THR H H 8.035 6.306 2.470 1.00 . A A . 53 THR H 1 1 11 10566 1 1 53 THR HA H 7.051 4.348 0.742 1.00 . A A . 53 THR HA 1 1 11 10567 1 1 53 THR HB H 9.431 3.287 0.999 1.00 . A A . 53 THR HB 1 1 11 10568 1 1 53 THR HG1 H 9.904 4.353 3.001 1.00 . A A . 53 THR HG1 1 1 11 10569 1 1 53 THR HG21 H 9.031 6.224 0.101 1.00 . A A . 53 THR HG21 1 1 11 10570 1 1 53 THR HG22 H 8.744 4.763 -0.904 1.00 . A A . 53 THR HG22 1 1 11 10571 1 1 53 THR HG23 H 10.406 5.159 -0.348 1.00 . A A . 53 THR HG23 1 1 11 10572 1 1 53 THR N N 7.284 5.682 2.268 1.00 . A A . 53 THR N 1 1 11 10573 1 1 53 THR O O 7.250 3.259 3.684 1.00 . A A . 53 THR O 1 1 11 10574 1 1 53 THR OG1 O 9.973 4.898 2.201 1.00 . A A . 53 THR OG1 1 1 11 10575 1 1 54 HIS C C 7.926 0.045 2.780 1.00 . A A . 54 HIS C 1 1 11 10576 1 1 54 HIS CA C 6.671 0.855 2.513 1.00 . A A . 54 HIS CA 1 1 11 10577 1 1 54 HIS CB C 5.524 0.071 1.804 1.00 . A A . 54 HIS CB 1 1 11 10578 1 1 54 HIS CD2 C 2.941 0.305 2.048 1.00 . A A . 54 HIS CD2 1 1 11 10579 1 1 54 HIS CE1 C 2.760 2.310 1.198 1.00 . A A . 54 HIS CE1 1 1 11 10580 1 1 54 HIS CG C 4.190 0.772 1.794 1.00 . A A . 54 HIS CG 1 1 11 10581 1 1 54 HIS H H 7.377 1.971 0.852 1.00 . A A . 54 HIS H 1 1 11 10582 1 1 54 HIS HA H 6.302 1.114 3.493 1.00 . A A . 54 HIS HA 1 1 11 10583 1 1 54 HIS HB2 H 5.755 -0.090 0.733 1.00 . A A . 54 HIS HB2 1 1 11 10584 1 1 54 HIS HB3 H 5.366 -0.907 2.308 1.00 . A A . 54 HIS HB3 1 1 11 10585 1 1 54 HIS HD1 H 4.787 2.631 0.984 1.00 . A A . 54 HIS HD1 1 1 11 10586 1 1 54 HIS HD2 H 2.617 -0.659 2.428 1.00 . A A . 54 HIS HD2 1 1 11 10587 1 1 54 HIS HE1 H 2.371 3.220 0.795 1.00 . A A . 54 HIS HE1 1 1 11 10588 1 1 54 HIS HE2 H 1.062 1.220 1.686 1.00 . A A . 54 HIS HE2 1 1 11 10589 1 1 54 HIS N N 7.075 2.062 1.807 1.00 . A A . 54 HIS N 1 1 11 10590 1 1 54 HIS ND1 N 4.046 2.026 1.270 1.00 . A A . 54 HIS ND1 1 1 11 10591 1 1 54 HIS NE2 N 2.061 1.283 1.661 1.00 . A A . 54 HIS NE2 1 1 11 10592 1 1 54 HIS O O 8.662 0.294 3.727 1.00 . A A . 54 HIS O 1 1 11 10593 1 1 55 LYS C C 9.618 -2.249 0.600 1.00 . A A . 55 LYS C 1 1 11 10594 1 1 55 LYS CA C 9.415 -1.727 2.003 1.00 . A A . 55 LYS CA 1 1 11 10595 1 1 55 LYS CB C 9.266 -2.804 3.110 1.00 . A A . 55 LYS CB 1 1 11 10596 1 1 55 LYS CD C 7.667 -4.151 4.594 1.00 . A A . 55 LYS CD 1 1 11 10597 1 1 55 LYS CE C 8.601 -5.318 4.933 1.00 . A A . 55 LYS CE 1 1 11 10598 1 1 55 LYS CG C 7.902 -3.513 3.216 1.00 . A A . 55 LYS CG 1 1 11 10599 1 1 55 LYS H H 7.701 -1.166 1.123 1.00 . A A . 55 LYS H 1 1 11 10600 1 1 55 LYS HA H 10.260 -1.092 2.206 1.00 . A A . 55 LYS HA 1 1 11 10601 1 1 55 LYS HB2 H 10.092 -3.535 3.043 1.00 . A A . 55 LYS HB2 1 1 11 10602 1 1 55 LYS HB3 H 9.404 -2.258 4.073 1.00 . A A . 55 LYS HB3 1 1 11 10603 1 1 55 LYS HD2 H 7.743 -3.376 5.389 1.00 . A A . 55 LYS HD2 1 1 11 10604 1 1 55 LYS HD3 H 6.622 -4.536 4.611 1.00 . A A . 55 LYS HD3 1 1 11 10605 1 1 55 LYS HE2 H 8.550 -6.090 4.137 1.00 . A A . 55 LYS HE2 1 1 11 10606 1 1 55 LYS HE3 H 9.649 -4.973 5.047 1.00 . A A . 55 LYS HE3 1 1 11 10607 1 1 55 LYS HG2 H 7.080 -2.779 3.069 1.00 . A A . 55 LYS HG2 1 1 11 10608 1 1 55 LYS HG3 H 7.800 -4.294 2.433 1.00 . A A . 55 LYS HG3 1 1 11 10609 1 1 55 LYS HZ1 H 7.206 -6.305 6.103 1.00 . A A . 55 LYS HZ1 1 1 11 10610 1 1 55 LYS HZ2 H 8.205 -5.247 6.966 1.00 . A A . 55 LYS HZ2 1 1 11 10611 1 1 55 LYS HZ3 H 8.814 -6.743 6.438 1.00 . A A . 55 LYS HZ3 1 1 11 10612 1 1 55 LYS N N 8.236 -0.921 1.909 1.00 . A A . 55 LYS N 1 1 11 10613 1 1 55 LYS NZ N 8.181 -5.953 6.202 1.00 . A A . 55 LYS NZ 1 1 11 10614 1 1 55 LYS O O 10.094 -1.535 -0.280 1.00 . A A . 55 LYS O 1 1 11 10615 1 1 56 PHE C C 7.445 -4.179 -1.220 1.00 . A A . 56 PHE C 1 1 11 10616 1 1 56 PHE CA C 8.945 -4.046 -0.967 1.00 . A A . 56 PHE CA 1 1 11 10617 1 1 56 PHE CB C 9.738 -5.375 -1.085 1.00 . A A . 56 PHE CB 1 1 11 10618 1 1 56 PHE CD1 C 8.497 -7.164 0.171 1.00 . A A . 56 PHE CD1 1 1 11 10619 1 1 56 PHE CD2 C 10.503 -6.245 1.166 1.00 . A A . 56 PHE CD2 1 1 11 10620 1 1 56 PHE CE1 C 8.359 -8.029 1.259 1.00 . A A . 56 PHE CE1 1 1 11 10621 1 1 56 PHE CE2 C 10.360 -7.106 2.258 1.00 . A A . 56 PHE CE2 1 1 11 10622 1 1 56 PHE CG C 9.572 -6.267 0.112 1.00 . A A . 56 PHE CG 1 1 11 10623 1 1 56 PHE CZ C 9.290 -8.002 2.303 1.00 . A A . 56 PHE CZ 1 1 11 10624 1 1 56 PHE H H 8.826 -4.024 1.100 1.00 . A A . 56 PHE H 1 1 11 10625 1 1 56 PHE HA H 9.312 -3.377 -1.733 1.00 . A A . 56 PHE HA 1 1 11 10626 1 1 56 PHE HB2 H 9.451 -5.948 -1.987 1.00 . A A . 56 PHE HB2 1 1 11 10627 1 1 56 PHE HB3 H 10.819 -5.131 -1.180 1.00 . A A . 56 PHE HB3 1 1 11 10628 1 1 56 PHE HD1 H 7.777 -7.203 -0.631 1.00 . A A . 56 PHE HD1 1 1 11 10629 1 1 56 PHE HD2 H 11.337 -5.560 1.152 1.00 . A A . 56 PHE HD2 1 1 11 10630 1 1 56 PHE HE1 H 7.525 -8.709 1.298 1.00 . A A . 56 PHE HE1 1 1 11 10631 1 1 56 PHE HE2 H 11.074 -7.070 3.067 1.00 . A A . 56 PHE HE2 1 1 11 10632 1 1 56 PHE HZ H 9.171 -8.663 3.148 1.00 . A A . 56 PHE HZ 1 1 11 10633 1 1 56 PHE N N 9.153 -3.469 0.340 1.00 . A A . 56 PHE N 1 1 11 10634 1 1 56 PHE O O 6.625 -3.715 -0.427 1.00 . A A . 56 PHE O 1 1 11 10635 1 1 57 CYS C C 5.131 -6.283 -2.177 1.00 . A A . 57 CYS C 1 1 11 10636 1 1 57 CYS CA C 5.629 -4.946 -2.680 1.00 . A A . 57 CYS CA 1 1 11 10637 1 1 57 CYS CB C 5.367 -4.795 -4.187 1.00 . A A . 57 CYS CB 1 1 11 10638 1 1 57 CYS H H 7.671 -5.107 -3.053 1.00 . A A . 57 CYS H 1 1 11 10639 1 1 57 CYS HA H 5.040 -4.192 -2.177 1.00 . A A . 57 CYS HA 1 1 11 10640 1 1 57 CYS HB2 H 5.888 -5.611 -4.730 1.00 . A A . 57 CYS HB2 1 1 11 10641 1 1 57 CYS HB3 H 4.282 -4.883 -4.396 1.00 . A A . 57 CYS HB3 1 1 11 10642 1 1 57 CYS N N 7.030 -4.766 -2.356 1.00 . A A . 57 CYS N 1 1 11 10643 1 1 57 CYS O O 5.819 -7.302 -2.187 1.00 . A A . 57 CYS O 1 1 11 10644 1 1 57 CYS SG S 5.997 -3.200 -4.774 1.00 . A A . 57 CYS SG 1 1 11 10645 1 1 58 TYR C C 2.206 -7.969 -2.127 1.00 . A A . 58 TYR C 1 1 11 10646 1 1 58 TYR CA C 3.248 -7.465 -1.155 1.00 . A A . 58 TYR CA 1 1 11 10647 1 1 58 TYR CB C 2.579 -7.175 0.209 1.00 . A A . 58 TYR CB 1 1 11 10648 1 1 58 TYR CD1 C 4.605 -6.522 1.557 1.00 . A A . 58 TYR CD1 1 1 11 10649 1 1 58 TYR CD2 C 3.475 -8.577 2.126 1.00 . A A . 58 TYR CD2 1 1 11 10650 1 1 58 TYR CE1 C 5.534 -6.759 2.573 1.00 . A A . 58 TYR CE1 1 1 11 10651 1 1 58 TYR CE2 C 4.390 -8.801 3.158 1.00 . A A . 58 TYR CE2 1 1 11 10652 1 1 58 TYR CG C 3.561 -7.425 1.321 1.00 . A A . 58 TYR CG 1 1 11 10653 1 1 58 TYR CZ C 5.430 -7.894 3.377 1.00 . A A . 58 TYR CZ 1 1 11 10654 1 1 58 TYR H H 3.377 -5.442 -1.640 1.00 . A A . 58 TYR H 1 1 11 10655 1 1 58 TYR HA H 3.940 -8.288 -1.043 1.00 . A A . 58 TYR HA 1 1 11 10656 1 1 58 TYR HB2 H 2.229 -6.125 0.258 1.00 . A A . 58 TYR HB2 1 1 11 10657 1 1 58 TYR HB3 H 1.688 -7.806 0.390 1.00 . A A . 58 TYR HB3 1 1 11 10658 1 1 58 TYR HD1 H 4.704 -5.632 0.959 1.00 . A A . 58 TYR HD1 1 1 11 10659 1 1 58 TYR HD2 H 2.699 -9.311 1.985 1.00 . A A . 58 TYR HD2 1 1 11 10660 1 1 58 TYR HE1 H 6.327 -6.052 2.728 1.00 . A A . 58 TYR HE1 1 1 11 10661 1 1 58 TYR HE2 H 4.279 -9.693 3.750 1.00 . A A . 58 TYR HE2 1 1 11 10662 1 1 58 TYR HH H 5.979 -8.722 5.034 1.00 . A A . 58 TYR HH 1 1 11 10663 1 1 58 TYR N N 3.901 -6.282 -1.661 1.00 . A A . 58 TYR N 1 1 11 10664 1 1 58 TYR O O 1.876 -7.342 -3.136 1.00 . A A . 58 TYR O 1 1 11 10665 1 1 58 TYR OH O 6.375 -8.118 4.397 1.00 . A A . 58 TYR OH 1 1 11 10666 1 1 59 LYS C C -0.722 -8.897 -2.434 1.00 . A A . 59 LYS C 1 1 11 10667 1 1 59 LYS CA C 0.508 -9.788 -2.347 1.00 . A A . 59 LYS CA 1 1 11 10668 1 1 59 LYS CB C 0.144 -11.036 -1.518 1.00 . A A . 59 LYS CB 1 1 11 10669 1 1 59 LYS CD C 0.987 -13.242 -0.531 1.00 . A A . 59 LYS CD 1 1 11 10670 1 1 59 LYS CE C 1.485 -12.802 0.851 1.00 . A A . 59 LYS CE 1 1 11 10671 1 1 59 LYS CG C 1.177 -12.168 -1.612 1.00 . A A . 59 LYS CG 1 1 11 10672 1 1 59 LYS H H 2.047 -9.617 -0.993 1.00 . A A . 59 LYS H 1 1 11 10673 1 1 59 LYS HA H 0.757 -10.087 -3.350 1.00 . A A . 59 LYS HA 1 1 11 10674 1 1 59 LYS HB2 H 0.029 -10.718 -0.459 1.00 . A A . 59 LYS HB2 1 1 11 10675 1 1 59 LYS HB3 H -0.839 -11.439 -1.855 1.00 . A A . 59 LYS HB3 1 1 11 10676 1 1 59 LYS HD2 H -0.083 -13.540 -0.481 1.00 . A A . 59 LYS HD2 1 1 11 10677 1 1 59 LYS HD3 H 1.571 -14.139 -0.836 1.00 . A A . 59 LYS HD3 1 1 11 10678 1 1 59 LYS HE2 H 2.555 -12.511 0.794 1.00 . A A . 59 LYS HE2 1 1 11 10679 1 1 59 LYS HE3 H 0.893 -11.948 1.240 1.00 . A A . 59 LYS HE3 1 1 11 10680 1 1 59 LYS HG2 H 1.083 -12.636 -2.617 1.00 . A A . 59 LYS HG2 1 1 11 10681 1 1 59 LYS HG3 H 2.218 -11.786 -1.546 1.00 . A A . 59 LYS HG3 1 1 11 10682 1 1 59 LYS HZ1 H 1.929 -14.721 1.487 1.00 . A A . 59 LYS HZ1 1 1 11 10683 1 1 59 LYS HZ2 H 0.378 -14.188 1.929 1.00 . A A . 59 LYS HZ2 1 1 11 10684 1 1 59 LYS HZ3 H 1.751 -13.594 2.744 1.00 . A A . 59 LYS HZ3 1 1 11 10685 1 1 59 LYS N N 1.676 -9.155 -1.786 1.00 . A A . 59 LYS N 1 1 11 10686 1 1 59 LYS NZ N 1.374 -13.908 1.827 1.00 . A A . 59 LYS NZ 1 1 11 10687 1 1 59 LYS O O -0.898 -7.930 -1.691 1.00 . A A . 59 LYS O 1 1 11 10688 1 1 60 ALA C C -3.839 -8.488 -2.506 1.00 . A A . 60 ALA C 1 1 11 10689 1 1 60 ALA CA C -2.814 -8.468 -3.622 1.00 . A A . 60 ALA CA 1 1 11 10690 1 1 60 ALA CB C -3.457 -8.985 -4.912 1.00 . A A . 60 ALA CB 1 1 11 10691 1 1 60 ALA H H -1.483 -10.043 -3.921 1.00 . A A . 60 ALA H 1 1 11 10692 1 1 60 ALA HA H -2.525 -7.433 -3.741 1.00 . A A . 60 ALA HA 1 1 11 10693 1 1 60 ALA HB1 H -3.829 -10.021 -4.775 1.00 . A A . 60 ALA HB1 1 1 11 10694 1 1 60 ALA HB2 H -2.689 -9.018 -5.713 1.00 . A A . 60 ALA HB2 1 1 11 10695 1 1 60 ALA HB3 H -4.291 -8.328 -5.238 1.00 . A A . 60 ALA HB3 1 1 11 10696 1 1 60 ALA N N -1.630 -9.235 -3.355 1.00 . A A . 60 ALA N 1 1 11 10697 1 1 60 ALA O O -4.025 -9.468 -1.785 1.00 . A A . 60 ALA O 1 1 11 10698 1 1 61 CYS C C -6.892 -7.387 -1.555 1.00 . A A . 61 CYS C 1 1 11 10699 1 1 61 CYS CA C -5.437 -7.141 -1.219 1.00 . A A . 61 CYS CA 1 1 11 10700 1 1 61 CYS CB C -5.248 -5.702 -0.680 1.00 . A A . 61 CYS CB 1 1 11 10701 1 1 61 CYS H H -4.453 -6.642 -3.024 1.00 . A A . 61 CYS H 1 1 11 10702 1 1 61 CYS HA H -5.181 -7.842 -0.439 1.00 . A A . 61 CYS HA 1 1 11 10703 1 1 61 CYS HB2 H -4.233 -5.357 -0.980 1.00 . A A . 61 CYS HB2 1 1 11 10704 1 1 61 CYS HB3 H -5.952 -4.984 -1.152 1.00 . A A . 61 CYS HB3 1 1 11 10705 1 1 61 CYS N N -4.566 -7.377 -2.356 1.00 . A A . 61 CYS N 1 1 11 10706 1 1 61 CYS O O -7.802 -6.649 -1.188 1.00 . A A . 61 CYS O 1 1 11 10707 1 1 61 CYS SG S -5.355 -5.644 1.133 1.00 . A A . 61 CYS SG 1 1 11 10708 1 1 62 HIS C C -9.385 -9.461 -1.682 1.00 . A A . 62 HIS C 1 1 11 10709 1 1 62 HIS CA C -8.519 -8.784 -2.734 1.00 . A A . 62 HIS CA 1 1 11 10710 1 1 62 HIS CB C -8.523 -9.655 -3.993 1.00 . A A . 62 HIS CB 1 1 11 10711 1 1 62 HIS CD2 C -7.256 -7.825 -5.355 1.00 . A A . 62 HIS CD2 1 1 11 10712 1 1 62 HIS CE1 C -7.252 -8.891 -7.263 1.00 . A A . 62 HIS CE1 1 1 11 10713 1 1 62 HIS CG C -7.870 -9.019 -5.178 1.00 . A A . 62 HIS CG 1 1 11 10714 1 1 62 HIS H H -6.414 -9.080 -2.521 1.00 . A A . 62 HIS H 1 1 11 10715 1 1 62 HIS HA H -9.016 -7.861 -2.997 1.00 . A A . 62 HIS HA 1 1 11 10716 1 1 62 HIS HB2 H -8.036 -10.630 -3.796 1.00 . A A . 62 HIS HB2 1 1 11 10717 1 1 62 HIS HB3 H -9.575 -9.840 -4.285 1.00 . A A . 62 HIS HB3 1 1 11 10718 1 1 62 HIS HD1 H -8.228 -10.574 -6.565 1.00 . A A . 62 HIS HD1 1 1 11 10719 1 1 62 HIS HD2 H -7.059 -7.022 -4.650 1.00 . A A . 62 HIS HD2 1 1 11 10720 1 1 62 HIS HE1 H -7.101 -9.142 -8.289 1.00 . A A . 62 HIS HE1 1 1 11 10721 1 1 62 HIS HE2 H -6.385 -7.013 -7.099 1.00 . A A . 62 HIS HE2 1 1 11 10722 1 1 62 HIS N N -7.171 -8.475 -2.288 1.00 . A A . 62 HIS N 1 1 11 10723 1 1 62 HIS ND1 N -7.858 -9.662 -6.382 1.00 . A A . 62 HIS ND1 1 1 11 10724 1 1 62 HIS NE2 N -6.877 -7.772 -6.668 1.00 . A A . 62 HIS NE2 1 1 11 10725 1 1 62 HIS O O -9.636 -10.665 -1.725 1.00 . A A . 62 HIS O 1 1 11 10726 1 1 63 ASN C C -12.099 -9.527 -0.086 1.00 . A A . 63 ASN C 1 1 11 10727 1 1 63 ASN CA C -10.746 -9.002 0.368 1.00 . A A . 63 ASN CA 1 1 11 10728 1 1 63 ASN CB C -10.885 -7.809 1.364 1.00 . A A . 63 ASN CB 1 1 11 10729 1 1 63 ASN CG C -11.162 -6.446 0.725 1.00 . A A . 63 ASN CG 1 1 11 10730 1 1 63 ASN H H -9.722 -7.681 -0.848 1.00 . A A . 63 ASN H 1 1 11 10731 1 1 63 ASN HA H -10.276 -9.815 0.890 1.00 . A A . 63 ASN HA 1 1 11 10732 1 1 63 ASN HB2 H -11.717 -8.015 2.066 1.00 . A A . 63 ASN HB2 1 1 11 10733 1 1 63 ASN HB3 H -9.969 -7.743 1.973 1.00 . A A . 63 ASN HB3 1 1 11 10734 1 1 63 ASN HD21 H -9.176 -5.969 0.406 1.00 . A A . 63 ASN HD21 1 1 11 10735 1 1 63 ASN HD22 H -10.336 -4.847 -0.183 1.00 . A A . 63 ASN HD22 1 1 11 10736 1 1 63 ASN N N -9.885 -8.655 -0.736 1.00 . A A . 63 ASN N 1 1 11 10737 1 1 63 ASN ND2 N -10.127 -5.683 0.314 1.00 . A A . 63 ASN ND2 1 1 11 10738 1 1 63 ASN O O -12.498 -10.663 0.157 1.00 . A A . 63 ASN O 1 1 11 10739 1 1 63 ASN OD1 O -12.320 -6.052 0.584 1.00 . A A . 63 ASN OD1 1 1 11 10740 1 1 64 SER C C -14.144 -9.297 -2.751 1.00 . A A . 64 SER C 1 1 11 10741 1 1 64 SER CA C -14.174 -8.913 -1.283 1.00 . A A . 64 SER CA 1 1 11 10742 1 1 64 SER CB C -15.038 -7.625 -1.167 1.00 . A A . 64 SER CB 1 1 11 10743 1 1 64 SER H H -12.405 -7.781 -0.970 1.00 . A A . 64 SER H 1 1 11 10744 1 1 64 SER HA H -14.642 -9.718 -0.736 1.00 . A A . 64 SER HA 1 1 11 10745 1 1 64 SER HB2 H -14.481 -6.777 -1.631 1.00 . A A . 64 SER HB2 1 1 11 10746 1 1 64 SER HB3 H -16.001 -7.739 -1.709 1.00 . A A . 64 SER HB3 1 1 11 10747 1 1 64 SER HG H -15.970 -7.915 0.530 1.00 . A A . 64 SER HG 1 1 11 10748 1 1 64 SER N N -12.828 -8.675 -0.795 1.00 . A A . 64 SER N 1 1 11 10749 1 1 64 SER O O -14.286 -8.443 -3.620 1.00 . A A . 64 SER O 1 1 11 10750 1 1 64 SER OG O -15.311 -7.286 0.196 1.00 . A A . 64 SER OG 1 1 11 10751 1 1 65 GLU C C -15.280 -10.790 -5.229 1.00 . A A . 65 GLU C 1 1 11 10752 1 1 65 GLU CA C -13.980 -11.078 -4.474 1.00 . A A . 65 GLU CA 1 1 11 10753 1 1 65 GLU CB C -13.523 -12.562 -4.644 1.00 . A A . 65 GLU CB 1 1 11 10754 1 1 65 GLU CD C -11.078 -12.201 -5.344 1.00 . A A . 65 GLU CD 1 1 11 10755 1 1 65 GLU CG C -12.433 -12.783 -5.722 1.00 . A A . 65 GLU CG 1 1 11 10756 1 1 65 GLU H H -13.873 -11.270 -2.369 1.00 . A A . 65 GLU H 1 1 11 10757 1 1 65 GLU HA H -13.253 -10.483 -4.998 1.00 . A A . 65 GLU HA 1 1 11 10758 1 1 65 GLU HB2 H -13.138 -12.962 -3.686 1.00 . A A . 65 GLU HB2 1 1 11 10759 1 1 65 GLU HB3 H -14.355 -13.237 -4.922 1.00 . A A . 65 GLU HB3 1 1 11 10760 1 1 65 GLU HE2 H -9.876 -12.118 -3.831 1.00 . A A . 65 GLU HE2 1 1 11 10761 1 1 65 GLU HG2 H -12.300 -13.875 -5.875 1.00 . A A . 65 GLU HG2 1 1 11 10762 1 1 65 GLU HG3 H -12.756 -12.332 -6.680 1.00 . A A . 65 GLU HG3 1 1 11 10763 1 1 65 GLU N N -13.940 -10.589 -3.092 1.00 . A A . 65 GLU N 1 1 11 10764 1 1 65 GLU O O -15.376 -9.894 -6.071 1.00 . A A . 65 GLU O 1 1 11 10765 1 1 65 GLU OE1 O -10.375 -11.495 -6.048 1.00 . A A . 65 GLU OE1 1 1 11 10766 1 1 65 GLU OE2 O -10.693 -12.545 -4.076 1.00 . A A . 65 GLU OE2 1 1 11 10767 1 1 66 ILE C C -18.402 -10.318 -4.612 1.00 . A A . 66 ILE C 1 1 11 10768 1 1 66 ILE CA C -17.666 -11.349 -5.442 1.00 . A A . 66 ILE CA 1 1 11 10769 1 1 66 ILE CB C -18.413 -12.651 -5.682 1.00 . A A . 66 ILE CB 1 1 11 10770 1 1 66 ILE CD1 C -20.234 -13.640 -7.189 1.00 . A A . 66 ILE CD1 1 1 11 10771 1 1 66 ILE CG1 C -19.615 -12.374 -6.601 1.00 . A A . 66 ILE CG1 1 1 11 10772 1 1 66 ILE CG2 C -18.812 -13.407 -4.400 1.00 . A A . 66 ILE CG2 1 1 11 10773 1 1 66 ILE H H -16.273 -12.222 -4.184 1.00 . A A . 66 ILE H 1 1 11 10774 1 1 66 ILE HA H -17.570 -10.908 -6.417 1.00 . A A . 66 ILE HA 1 1 11 10775 1 1 66 ILE HB H -17.702 -13.308 -6.235 1.00 . A A . 66 ILE HB 1 1 11 10776 1 1 66 ILE HD11 H -20.683 -14.275 -6.395 1.00 . A A . 66 ILE HD11 1 1 11 10777 1 1 66 ILE HD12 H -19.467 -14.235 -7.727 1.00 . A A . 66 ILE HD12 1 1 11 10778 1 1 66 ILE HD13 H -21.033 -13.370 -7.910 1.00 . A A . 66 ILE HD13 1 1 11 10779 1 1 66 ILE HG12 H -20.381 -11.809 -6.027 1.00 . A A . 66 ILE HG12 1 1 11 10780 1 1 66 ILE HG13 H -19.268 -11.724 -7.435 1.00 . A A . 66 ILE HG13 1 1 11 10781 1 1 66 ILE HG21 H -17.938 -13.579 -3.740 1.00 . A A . 66 ILE HG21 1 1 11 10782 1 1 66 ILE HG22 H -19.227 -14.402 -4.670 1.00 . A A . 66 ILE HG22 1 1 11 10783 1 1 66 ILE HG23 H -19.604 -12.860 -3.847 1.00 . A A . 66 ILE HG23 1 1 11 10784 1 1 66 ILE N N -16.332 -11.571 -4.938 1.00 . A A . 66 ILE N 1 1 11 10785 1 1 66 ILE O O -18.956 -9.341 -5.113 1.00 . A A . 66 ILE O 1 1 11 10786 1 1 67 GLU C C -17.665 -9.776 -1.131 1.00 . A A . 67 GLU C 1 1 11 10787 1 1 67 GLU CA C -18.643 -9.492 -2.290 1.00 . A A . 67 GLU CA 1 1 11 10788 1 1 67 GLU CB C -20.099 -9.655 -1.791 1.00 . A A . 67 GLU CB 1 1 11 10789 1 1 67 GLU CD C -20.632 -10.848 0.447 1.00 . A A . 67 GLU CD 1 1 11 10790 1 1 67 GLU CG C -20.370 -10.994 -1.057 1.00 . A A . 67 GLU CG 1 1 11 10791 1 1 67 GLU H H -17.700 -11.152 -2.846 1.00 . A A . 67 GLU H 1 1 11 10792 1 1 67 GLU HA H -18.466 -8.494 -2.669 1.00 . A A . 67 GLU HA 1 1 11 10793 1 1 67 GLU HB2 H -20.369 -8.783 -1.153 1.00 . A A . 67 GLU HB2 1 1 11 10794 1 1 67 GLU HB3 H -20.759 -9.613 -2.686 1.00 . A A . 67 GLU HB3 1 1 11 10795 1 1 67 GLU HE2 H -18.959 -9.718 0.582 1.00 . A A . 67 GLU HE2 1 1 11 10796 1 1 67 GLU HG2 H -21.281 -11.458 -1.495 1.00 . A A . 67 GLU HG2 1 1 11 10797 1 1 67 GLU HG3 H -19.531 -11.704 -1.194 1.00 . A A . 67 GLU HG3 1 1 11 10798 1 1 67 GLU N N -18.284 -10.461 -3.281 1.00 . A A . 67 GLU N 1 1 11 10799 1 1 67 GLU O O -17.763 -9.079 -0.085 1.00 . A A . 67 GLU O 1 1 11 10800 1 1 67 GLU OXT O -16.835 -10.722 -1.265 1.00 . A A . 67 GLU OXT 1 1 11 10801 1 1 67 GLU OE1 O -21.570 -11.363 1.026 1.00 . A A . 67 GLU OE1 1 1 11 10802 1 1 67 GLU OE2 O -19.711 -10.072 1.130 1.00 . A A . 67 GLU OE2 1 1 11 10803 2 2 1 CL CL CL 4.523 -12.841 3.472 1.00 . B A . 68 CL CL 1 1 11 10804 3 2 1 CL CL CL 4.228 -3.619 12.102 1.00 . C A . 69 CL CL 1 1 11 10805 4 2 1 CL CL CL -6.858 2.324 9.364 1.00 . D A . 70 CL CL 1 1 11 10806 5 2 1 CL CL CL -4.494 -7.339 11.868 1.00 . E A . 71 CL CL 1 1 11 10807 6 2 1 CL CL CL 7.412 11.494 6.640 1.00 . F A . 72 CL CL 1 1 11 10808 7 2 1 CL CL CL 9.256 -5.593 -4.816 1.00 . G A . 73 CL CL 1 1 11 10809 8 2 1 CL CL CL -4.474 -2.580 -2.659 1.00 . H A . 74 CL CL 1 1 11 10810 9 2 1 CL CL CL 12.997 7.323 -8.120 1.00 . I A . 75 CL CL 1 1 11 10811 10 2 1 CL CL CL 4.755 -4.495 6.866 1.00 . J A . 76 CL CL 1 1 11 10812 11 2 1 CL CL CL 1.844 10.323 -4.680 1.00 . K A . 77 CL CL 1 1 11 10813 12 2 1 CL CL CL -2.136 -4.049 5.009 1.00 . L A . 78 CL CL 1 1 12 10814 1 1 1 GLY C C 3.679 -19.235 11.575 1.00 . A A . 1 GLY C 1 1 12 10815 1 1 1 GLY CA C 4.844 -20.009 11.045 1.00 . A A . 1 GLY CA 1 1 12 10816 1 1 1 GLY H1 H 5.209 -21.877 10.218 1.00 . A A . 1 GLY H1 1 1 12 10817 1 1 1 GLY H2 H 3.567 -21.452 10.274 1.00 . A A . 1 GLY H2 1 1 12 10818 1 1 1 GLY H3 H 4.366 -21.924 11.699 1.00 . A A . 1 GLY H3 1 1 12 10819 1 1 1 GLY HA2 H 5.638 -20.016 11.781 1.00 . A A . 1 GLY HA2 1 1 12 10820 1 1 1 GLY HA3 H 5.134 -19.596 10.089 1.00 . A A . 1 GLY HA3 1 1 12 10821 1 1 1 GLY N N 4.468 -21.424 10.793 1.00 . A A . 1 GLY N 1 1 12 10822 1 1 1 GLY O O 2.887 -19.721 12.377 1.00 . A A . 1 GLY O 1 1 12 10823 1 1 2 ASP C C 2.244 -16.047 10.398 1.00 . A A . 2 ASP C 1 1 12 10824 1 1 2 ASP CA C 2.430 -17.118 11.473 1.00 . A A . 2 ASP CA 1 1 12 10825 1 1 2 ASP CB C 2.641 -16.504 12.896 1.00 . A A . 2 ASP CB 1 1 12 10826 1 1 2 ASP CG C 3.882 -15.620 12.994 1.00 . A A . 2 ASP CG 1 1 12 10827 1 1 2 ASP H H 4.232 -17.600 10.502 1.00 . A A . 2 ASP H 1 1 12 10828 1 1 2 ASP HA H 1.519 -17.698 11.479 1.00 . A A . 2 ASP HA 1 1 12 10829 1 1 2 ASP HB2 H 1.761 -15.903 13.199 1.00 . A A . 2 ASP HB2 1 1 12 10830 1 1 2 ASP HB3 H 2.746 -17.340 13.620 1.00 . A A . 2 ASP HB3 1 1 12 10831 1 1 2 ASP HD2 H 5.060 -14.821 14.246 1.00 . A A . 2 ASP HD2 1 1 12 10832 1 1 2 ASP N N 3.521 -17.989 11.096 1.00 . A A . 2 ASP N 1 1 12 10833 1 1 2 ASP O O 3.051 -15.881 9.483 1.00 . A A . 2 ASP O 1 1 12 10834 1 1 2 ASP OD1 O 4.428 -15.039 12.075 1.00 . A A . 2 ASP OD1 1 1 12 10835 1 1 2 ASP OD2 O 4.335 -15.462 14.280 1.00 . A A . 2 ASP OD2 1 1 12 10836 1 1 3 ASP C C 0.242 -13.126 10.617 1.00 . A A . 3 ASP C 1 1 12 10837 1 1 3 ASP CA C 0.855 -14.150 9.671 1.00 . A A . 3 ASP CA 1 1 12 10838 1 1 3 ASP CB C -0.093 -14.546 8.512 1.00 . A A . 3 ASP CB 1 1 12 10839 1 1 3 ASP CG C -0.265 -13.412 7.526 1.00 . A A . 3 ASP CG 1 1 12 10840 1 1 3 ASP H H 0.407 -15.557 11.117 1.00 . A A . 3 ASP H 1 1 12 10841 1 1 3 ASP HA H 1.781 -13.740 9.298 1.00 . A A . 3 ASP HA 1 1 12 10842 1 1 3 ASP HB2 H 0.386 -15.382 7.963 1.00 . A A . 3 ASP HB2 1 1 12 10843 1 1 3 ASP HB3 H -1.070 -14.897 8.892 1.00 . A A . 3 ASP HB3 1 1 12 10844 1 1 3 ASP HD2 H -2.062 -13.174 8.283 1.00 . A A . 3 ASP HD2 1 1 12 10845 1 1 3 ASP N N 1.130 -15.306 10.475 1.00 . A A . 3 ASP N 1 1 12 10846 1 1 3 ASP O O -0.849 -13.316 11.151 1.00 . A A . 3 ASP O 1 1 12 10847 1 1 3 ASP OD1 O 0.582 -13.039 6.741 1.00 . A A . 3 ASP OD1 1 1 12 10848 1 1 3 ASP OD2 O -1.482 -12.772 7.629 1.00 . A A . 3 ASP OD2 1 1 12 10849 1 1 4 VAL C C 0.539 -9.670 11.360 1.00 . A A . 4 VAL C 1 1 12 10850 1 1 4 VAL CA C 0.696 -11.078 11.919 1.00 . A A . 4 VAL CA 1 1 12 10851 1 1 4 VAL CB C 1.678 -11.178 13.094 1.00 . A A . 4 VAL CB 1 1 12 10852 1 1 4 VAL CG1 C 1.113 -12.205 14.097 1.00 . A A . 4 VAL CG1 1 1 12 10853 1 1 4 VAL CG2 C 3.099 -11.629 12.691 1.00 . A A . 4 VAL CG2 1 1 12 10854 1 1 4 VAL H H 1.784 -11.851 10.314 1.00 . A A . 4 VAL H 1 1 12 10855 1 1 4 VAL HA H -0.285 -11.279 12.321 1.00 . A A . 4 VAL HA 1 1 12 10856 1 1 4 VAL HB H 1.745 -10.200 13.621 1.00 . A A . 4 VAL HB 1 1 12 10857 1 1 4 VAL HG11 H 1.784 -12.283 14.978 1.00 . A A . 4 VAL HG11 1 1 12 10858 1 1 4 VAL HG12 H 1.026 -13.210 13.634 1.00 . A A . 4 VAL HG12 1 1 12 10859 1 1 4 VAL HG13 H 0.110 -11.899 14.461 1.00 . A A . 4 VAL HG13 1 1 12 10860 1 1 4 VAL HG21 H 3.093 -12.667 12.298 1.00 . A A . 4 VAL HG21 1 1 12 10861 1 1 4 VAL HG22 H 3.738 -11.639 13.603 1.00 . A A . 4 VAL HG22 1 1 12 10862 1 1 4 VAL HG23 H 3.581 -10.961 11.956 1.00 . A A . 4 VAL HG23 1 1 12 10863 1 1 4 VAL N N 0.980 -12.036 10.870 1.00 . A A . 4 VAL N 1 1 12 10864 1 1 4 VAL O O -0.571 -9.260 11.029 1.00 . A A . 4 VAL O 1 1 12 10865 1 1 5 LYS C C 1.631 -7.182 9.439 1.00 . A A . 5 LYS C 1 1 12 10866 1 1 5 LYS CA C 1.545 -7.452 10.919 1.00 . A A . 5 LYS CA 1 1 12 10867 1 1 5 LYS CB C 2.682 -6.693 11.640 1.00 . A A . 5 LYS CB 1 1 12 10868 1 1 5 LYS CD C 1.472 -6.381 13.892 1.00 . A A . 5 LYS CD 1 1 12 10869 1 1 5 LYS CE C 1.540 -6.580 15.410 1.00 . A A . 5 LYS CE 1 1 12 10870 1 1 5 LYS CG C 2.730 -6.881 13.164 1.00 . A A . 5 LYS CG 1 1 12 10871 1 1 5 LYS H H 2.532 -9.200 11.344 1.00 . A A . 5 LYS H 1 1 12 10872 1 1 5 LYS HA H 0.586 -7.082 11.242 1.00 . A A . 5 LYS HA 1 1 12 10873 1 1 5 LYS HB2 H 3.653 -7.030 11.224 1.00 . A A . 5 LYS HB2 1 1 12 10874 1 1 5 LYS HB3 H 2.586 -5.610 11.424 1.00 . A A . 5 LYS HB3 1 1 12 10875 1 1 5 LYS HD2 H 1.317 -5.300 13.671 1.00 . A A . 5 LYS HD2 1 1 12 10876 1 1 5 LYS HD3 H 0.579 -6.934 13.520 1.00 . A A . 5 LYS HD3 1 1 12 10877 1 1 5 LYS HE2 H 0.601 -6.224 15.884 1.00 . A A . 5 LYS HE2 1 1 12 10878 1 1 5 LYS HE3 H 1.695 -7.650 15.658 1.00 . A A . 5 LYS HE3 1 1 12 10879 1 1 5 LYS HG2 H 2.894 -7.950 13.417 1.00 . A A . 5 LYS HG2 1 1 12 10880 1 1 5 LYS HG3 H 3.612 -6.315 13.542 1.00 . A A . 5 LYS HG3 1 1 12 10881 1 1 5 LYS HZ1 H 2.664 -5.920 17.026 1.00 . A A . 5 LYS HZ1 1 1 12 10882 1 1 5 LYS HZ2 H 2.545 -4.803 15.749 1.00 . A A . 5 LYS HZ2 1 1 12 10883 1 1 5 LYS HZ3 H 3.559 -6.158 15.601 1.00 . A A . 5 LYS HZ3 1 1 12 10884 1 1 5 LYS N N 1.614 -8.869 11.218 1.00 . A A . 5 LYS N 1 1 12 10885 1 1 5 LYS NZ N 2.660 -5.810 15.991 1.00 . A A . 5 LYS NZ 1 1 12 10886 1 1 5 LYS O O 2.405 -6.364 8.947 1.00 . A A . 5 LYS O 1 1 12 10887 1 1 6 SER C C 0.317 -6.555 6.654 1.00 . A A . 6 SER C 1 1 12 10888 1 1 6 SER CA C 0.653 -7.897 7.270 1.00 . A A . 6 SER CA 1 1 12 10889 1 1 6 SER CB C -0.436 -8.889 6.794 1.00 . A A . 6 SER CB 1 1 12 10890 1 1 6 SER H H 0.210 -8.533 9.240 1.00 . A A . 6 SER H 1 1 12 10891 1 1 6 SER HA H 1.601 -8.217 6.869 1.00 . A A . 6 SER HA 1 1 12 10892 1 1 6 SER HB2 H -1.439 -8.569 7.160 1.00 . A A . 6 SER HB2 1 1 12 10893 1 1 6 SER HB3 H -0.463 -8.925 5.681 1.00 . A A . 6 SER HB3 1 1 12 10894 1 1 6 SER HG H -0.832 -10.790 6.999 1.00 . A A . 6 SER HG 1 1 12 10895 1 1 6 SER N N 0.782 -7.906 8.713 1.00 . A A . 6 SER N 1 1 12 10896 1 1 6 SER O O -0.492 -5.779 7.160 1.00 . A A . 6 SER O 1 1 12 10897 1 1 6 SER OG O -0.139 -10.184 7.311 1.00 . A A . 6 SER OG 1 1 12 10898 1 1 7 ALA C C -0.128 -6.110 3.362 1.00 . A A . 7 ALA C 1 1 12 10899 1 1 7 ALA CA C 0.449 -5.341 4.528 1.00 . A A . 7 ALA CA 1 1 12 10900 1 1 7 ALA CB C 1.605 -4.482 3.996 1.00 . A A . 7 ALA CB 1 1 12 10901 1 1 7 ALA H H 1.750 -6.780 5.208 1.00 . A A . 7 ALA H 1 1 12 10902 1 1 7 ALA HA H -0.340 -4.734 4.948 1.00 . A A . 7 ALA HA 1 1 12 10903 1 1 7 ALA HB1 H 2.370 -5.144 3.521 1.00 . A A . 7 ALA HB1 1 1 12 10904 1 1 7 ALA HB2 H 2.098 -3.969 4.847 1.00 . A A . 7 ALA HB2 1 1 12 10905 1 1 7 ALA HB3 H 1.261 -3.736 3.253 1.00 . A A . 7 ALA HB3 1 1 12 10906 1 1 7 ALA N N 0.941 -6.277 5.496 1.00 . A A . 7 ALA N 1 1 12 10907 1 1 7 ALA O O 0.328 -7.193 3.011 1.00 . A A . 7 ALA O 1 1 12 10908 1 1 8 CYS C C -1.202 -5.052 0.311 1.00 . A A . 8 CYS C 1 1 12 10909 1 1 8 CYS CA C -1.612 -6.010 1.430 1.00 . A A . 8 CYS CA 1 1 12 10910 1 1 8 CYS CB C -3.133 -6.338 1.489 1.00 . A A . 8 CYS CB 1 1 12 10911 1 1 8 CYS H H -1.572 -4.718 3.072 1.00 . A A . 8 CYS H 1 1 12 10912 1 1 8 CYS HA H -1.109 -6.945 1.210 1.00 . A A . 8 CYS HA 1 1 12 10913 1 1 8 CYS HB2 H -3.311 -7.217 0.833 1.00 . A A . 8 CYS HB2 1 1 12 10914 1 1 8 CYS HB3 H -3.367 -6.679 2.524 1.00 . A A . 8 CYS HB3 1 1 12 10915 1 1 8 CYS N N -1.142 -5.535 2.705 1.00 . A A . 8 CYS N 1 1 12 10916 1 1 8 CYS O O -1.112 -3.835 0.478 1.00 . A A . 8 CYS O 1 1 12 10917 1 1 8 CYS SG S -4.285 -5.001 1.014 1.00 . A A . 8 CYS SG 1 1 12 10918 1 1 9 CYS C C -0.674 -5.410 -3.303 1.00 . A A . 9 CYS C 1 1 12 10919 1 1 9 CYS CA C -0.291 -4.858 -1.943 1.00 . A A . 9 CYS CA 1 1 12 10920 1 1 9 CYS CB C 1.242 -5.019 -1.781 1.00 . A A . 9 CYS CB 1 1 12 10921 1 1 9 CYS H H -0.824 -6.614 -0.989 1.00 . A A . 9 CYS H 1 1 12 10922 1 1 9 CYS HA H -0.582 -3.818 -1.887 1.00 . A A . 9 CYS HA 1 1 12 10923 1 1 9 CYS HB2 H 1.484 -4.801 -0.716 1.00 . A A . 9 CYS HB2 1 1 12 10924 1 1 9 CYS HB3 H 1.507 -6.093 -1.923 1.00 . A A . 9 CYS HB3 1 1 12 10925 1 1 9 CYS N N -0.892 -5.611 -0.877 1.00 . A A . 9 CYS N 1 1 12 10926 1 1 9 CYS O O -0.213 -6.464 -3.731 1.00 . A A . 9 CYS O 1 1 12 10927 1 1 9 CYS SG S 2.265 -3.965 -2.856 1.00 . A A . 9 CYS SG 1 1 12 10928 1 1 10 ASP C C -0.978 -4.508 -6.485 1.00 . A A . 10 ASP C 1 1 12 10929 1 1 10 ASP CA C -1.893 -5.093 -5.405 1.00 . A A . 10 ASP CA 1 1 12 10930 1 1 10 ASP CB C -3.331 -4.604 -5.674 1.00 . A A . 10 ASP CB 1 1 12 10931 1 1 10 ASP CG C -3.925 -5.326 -6.872 1.00 . A A . 10 ASP CG 1 1 12 10932 1 1 10 ASP H H -2.038 -3.933 -3.666 1.00 . A A . 10 ASP H 1 1 12 10933 1 1 10 ASP HA H -1.857 -6.177 -5.475 1.00 . A A . 10 ASP HA 1 1 12 10934 1 1 10 ASP HB2 H -3.968 -4.831 -4.806 1.00 . A A . 10 ASP HB2 1 1 12 10935 1 1 10 ASP HB3 H -3.359 -3.517 -5.819 1.00 . A A . 10 ASP HB3 1 1 12 10936 1 1 10 ASP HD2 H -4.904 -4.991 -8.474 1.00 . A A . 10 ASP HD2 1 1 12 10937 1 1 10 ASP N N -1.536 -4.698 -4.055 1.00 . A A . 10 ASP N 1 1 12 10938 1 1 10 ASP O O -0.815 -5.073 -7.565 1.00 . A A . 10 ASP O 1 1 12 10939 1 1 10 ASP OD1 O -3.968 -6.533 -6.999 1.00 . A A . 10 ASP OD1 1 1 12 10940 1 1 10 ASP OD2 O -4.406 -4.477 -7.823 1.00 . A A . 10 ASP OD2 1 1 12 10941 1 1 11 THR C C 1.147 -1.564 -6.553 1.00 . A A . 11 THR C 1 1 12 10942 1 1 11 THR CA C 0.151 -2.453 -7.242 1.00 . A A . 11 THR CA 1 1 12 10943 1 1 11 THR CB C -0.899 -1.494 -7.825 1.00 . A A . 11 THR CB 1 1 12 10944 1 1 11 THR CG2 C -0.399 -0.769 -9.076 1.00 . A A . 11 THR CG2 1 1 12 10945 1 1 11 THR H H -0.491 -2.924 -5.323 1.00 . A A . 11 THR H 1 1 12 10946 1 1 11 THR HA H 0.665 -3.027 -8.001 1.00 . A A . 11 THR HA 1 1 12 10947 1 1 11 THR HB H -1.179 -0.730 -7.062 1.00 . A A . 11 THR HB 1 1 12 10948 1 1 11 THR HG1 H -1.880 -2.753 -8.909 1.00 . A A . 11 THR HG1 1 1 12 10949 1 1 11 THR HG21 H -0.079 -1.489 -9.857 1.00 . A A . 11 THR HG21 1 1 12 10950 1 1 11 THR HG22 H 0.452 -0.095 -8.841 1.00 . A A . 11 THR HG22 1 1 12 10951 1 1 11 THR HG23 H -1.210 -0.135 -9.497 1.00 . A A . 11 THR HG23 1 1 12 10952 1 1 11 THR N N -0.383 -3.333 -6.216 1.00 . A A . 11 THR N 1 1 12 10953 1 1 11 THR O O 0.910 -1.053 -5.456 1.00 . A A . 11 THR O 1 1 12 10954 1 1 11 THR OG1 O -2.100 -2.162 -8.178 1.00 . A A . 11 THR OG1 1 1 12 10955 1 1 12 CYS C C 4.444 -0.217 -7.408 1.00 . A A . 12 CYS C 1 1 12 10956 1 1 12 CYS CA C 3.477 -0.904 -6.489 1.00 . A A . 12 CYS CA 1 1 12 10957 1 1 12 CYS CB C 4.174 -2.130 -5.850 1.00 . A A . 12 CYS CB 1 1 12 10958 1 1 12 CYS H H 2.514 -1.755 -8.060 1.00 . A A . 12 CYS H 1 1 12 10959 1 1 12 CYS HA H 3.229 -0.182 -5.736 1.00 . A A . 12 CYS HA 1 1 12 10960 1 1 12 CYS HB2 H 5.058 -1.798 -5.261 1.00 . A A . 12 CYS HB2 1 1 12 10961 1 1 12 CYS HB3 H 3.426 -2.606 -5.179 1.00 . A A . 12 CYS HB3 1 1 12 10962 1 1 12 CYS N N 2.305 -1.341 -7.185 1.00 . A A . 12 CYS N 1 1 12 10963 1 1 12 CYS O O 4.388 -0.324 -8.631 1.00 . A A . 12 CYS O 1 1 12 10964 1 1 12 CYS SG S 4.667 -3.394 -7.067 1.00 . A A . 12 CYS SG 1 1 12 10965 1 1 13 LEU C C 7.421 1.579 -6.590 1.00 . A A . 13 LEU C 1 1 12 10966 1 1 13 LEU CA C 6.212 1.458 -7.462 1.00 . A A . 13 LEU CA 1 1 12 10967 1 1 13 LEU CB C 5.471 2.806 -7.573 1.00 . A A . 13 LEU CB 1 1 12 10968 1 1 13 LEU CD1 C 5.243 4.911 -8.913 1.00 . A A . 13 LEU CD1 1 1 12 10969 1 1 13 LEU CD2 C 6.978 4.844 -7.113 1.00 . A A . 13 LEU CD2 1 1 12 10970 1 1 13 LEU CG C 6.234 4.008 -8.168 1.00 . A A . 13 LEU CG 1 1 12 10971 1 1 13 LEU H H 5.319 0.651 -5.797 1.00 . A A . 13 LEU H 1 1 12 10972 1 1 13 LEU HA H 6.522 1.092 -8.430 1.00 . A A . 13 LEU HA 1 1 12 10973 1 1 13 LEU HB2 H 4.604 2.603 -8.236 1.00 . A A . 13 LEU HB2 1 1 12 10974 1 1 13 LEU HB3 H 5.062 3.082 -6.578 1.00 . A A . 13 LEU HB3 1 1 12 10975 1 1 13 LEU HD11 H 4.460 5.270 -8.214 1.00 . A A . 13 LEU HD11 1 1 12 10976 1 1 13 LEU HD12 H 4.750 4.350 -9.735 1.00 . A A . 13 LEU HD12 1 1 12 10977 1 1 13 LEU HD13 H 5.766 5.791 -9.342 1.00 . A A . 13 LEU HD13 1 1 12 10978 1 1 13 LEU HD21 H 6.264 5.223 -6.351 1.00 . A A . 13 LEU HD21 1 1 12 10979 1 1 13 LEU HD22 H 7.466 5.717 -7.594 1.00 . A A . 13 LEU HD22 1 1 12 10980 1 1 13 LEU HD23 H 7.762 4.254 -6.600 1.00 . A A . 13 LEU HD23 1 1 12 10981 1 1 13 LEU HG H 6.970 3.633 -8.915 1.00 . A A . 13 LEU HG 1 1 12 10982 1 1 13 LEU N N 5.360 0.524 -6.789 1.00 . A A . 13 LEU N 1 1 12 10983 1 1 13 LEU O O 7.332 1.562 -5.359 1.00 . A A . 13 LEU O 1 1 12 10984 1 1 14 CYS C C 10.868 2.374 -7.278 1.00 . A A . 14 CYS C 1 1 12 10985 1 1 14 CYS CA C 9.869 1.503 -6.589 1.00 . A A . 14 CYS CA 1 1 12 10986 1 1 14 CYS CB C 10.416 0.059 -6.682 1.00 . A A . 14 CYS CB 1 1 12 10987 1 1 14 CYS H H 8.618 1.697 -8.228 1.00 . A A . 14 CYS H 1 1 12 10988 1 1 14 CYS HA H 9.818 1.845 -5.575 1.00 . A A . 14 CYS HA 1 1 12 10989 1 1 14 CYS HB2 H 10.296 -0.286 -7.730 1.00 . A A . 14 CYS HB2 1 1 12 10990 1 1 14 CYS HB3 H 11.504 0.057 -6.477 1.00 . A A . 14 CYS HB3 1 1 12 10991 1 1 14 CYS N N 8.594 1.645 -7.228 1.00 . A A . 14 CYS N 1 1 12 10992 1 1 14 CYS O O 10.914 2.483 -8.500 1.00 . A A . 14 CYS O 1 1 12 10993 1 1 14 CYS SG S 9.635 -1.119 -5.543 1.00 . A A . 14 CYS SG 1 1 12 10994 1 1 15 THR C C 13.971 3.187 -7.478 1.00 . A A . 15 THR C 1 1 12 10995 1 1 15 THR CA C 12.744 3.904 -6.980 1.00 . A A . 15 THR CA 1 1 12 10996 1 1 15 THR CB C 13.276 4.848 -5.911 1.00 . A A . 15 THR CB 1 1 12 10997 1 1 15 THR CG2 C 12.136 5.773 -5.463 1.00 . A A . 15 THR CG2 1 1 12 10998 1 1 15 THR H H 11.661 2.907 -5.477 1.00 . A A . 15 THR H 1 1 12 10999 1 1 15 THR HA H 12.350 4.504 -7.789 1.00 . A A . 15 THR HA 1 1 12 11000 1 1 15 THR HB H 14.097 5.475 -6.338 1.00 . A A . 15 THR HB 1 1 12 11001 1 1 15 THR HG1 H 14.399 3.510 -5.128 1.00 . A A . 15 THR HG1 1 1 12 11002 1 1 15 THR HG21 H 11.715 6.312 -6.340 1.00 . A A . 15 THR HG21 1 1 12 11003 1 1 15 THR HG22 H 12.515 6.519 -4.733 1.00 . A A . 15 THR HG22 1 1 12 11004 1 1 15 THR HG23 H 11.319 5.201 -4.982 1.00 . A A . 15 THR HG23 1 1 12 11005 1 1 15 THR N N 11.721 3.012 -6.477 1.00 . A A . 15 THR N 1 1 12 11006 1 1 15 THR O O 14.454 2.237 -6.861 1.00 . A A . 15 THR O 1 1 12 11007 1 1 15 THR OG1 O 13.754 4.133 -4.768 1.00 . A A . 15 THR OG1 1 1 12 11008 1 1 16 ARG C C 16.761 4.459 -7.835 1.00 . A A . 16 ARG C 1 1 12 11009 1 1 16 ARG CA C 16.007 3.515 -8.750 1.00 . A A . 16 ARG CA 1 1 12 11010 1 1 16 ARG CB C 16.459 3.762 -10.200 1.00 . A A . 16 ARG CB 1 1 12 11011 1 1 16 ARG CD C 16.748 2.550 -12.433 1.00 . A A . 16 ARG CD 1 1 12 11012 1 1 16 ARG CG C 15.855 2.770 -11.206 1.00 . A A . 16 ARG CG 1 1 12 11013 1 1 16 ARG CZ C 18.979 1.452 -12.821 1.00 . A A . 16 ARG CZ 1 1 12 11014 1 1 16 ARG H H 14.169 4.437 -9.095 1.00 . A A . 16 ARG H 1 1 12 11015 1 1 16 ARG HA H 16.242 2.493 -8.497 1.00 . A A . 16 ARG HA 1 1 12 11016 1 1 16 ARG HB2 H 16.214 4.799 -10.514 1.00 . A A . 16 ARG HB2 1 1 12 11017 1 1 16 ARG HB3 H 17.565 3.657 -10.238 1.00 . A A . 16 ARG HB3 1 1 12 11018 1 1 16 ARG HD2 H 16.222 1.955 -13.208 1.00 . A A . 16 ARG HD2 1 1 12 11019 1 1 16 ARG HD3 H 17.076 3.524 -12.854 1.00 . A A . 16 ARG HD3 1 1 12 11020 1 1 16 ARG HE H 18.007 1.502 -11.028 1.00 . A A . 16 ARG HE 1 1 12 11021 1 1 16 ARG HG2 H 15.689 1.794 -10.699 1.00 . A A . 16 ARG HG2 1 1 12 11022 1 1 16 ARG HG3 H 14.861 3.152 -11.530 1.00 . A A . 16 ARG HG3 1 1 12 11023 1 1 16 ARG HH11 H 18.183 2.280 -14.521 1.00 . A A . 16 ARG HH11 1 1 12 11024 1 1 16 ARG HH12 H 19.732 1.523 -14.726 1.00 . A A . 16 ARG HH12 1 1 12 11025 1 1 16 ARG HH21 H 20.040 0.500 -11.344 1.00 . A A . 16 ARG HH21 1 1 12 11026 1 1 16 ARG HH22 H 20.800 0.505 -12.904 1.00 . A A . 16 ARG HH22 1 1 12 11027 1 1 16 ARG N N 14.604 3.744 -8.522 1.00 . A A . 16 ARG N 1 1 12 11028 1 1 16 ARG NE N 17.950 1.783 -11.986 1.00 . A A . 16 ARG NE 1 1 12 11029 1 1 16 ARG NH1 N 18.968 1.792 -14.139 1.00 . A A . 16 ARG NH1 1 1 12 11030 1 1 16 ARG NH2 N 20.041 0.767 -12.309 1.00 . A A . 16 ARG NH2 1 1 12 11031 1 1 16 ARG O O 16.578 5.675 -7.867 1.00 . A A . 16 ARG O 1 1 12 11032 1 1 17 SER C C 19.084 3.556 -5.200 1.00 . A A . 17 SER C 1 1 12 11033 1 1 17 SER CA C 18.213 4.592 -5.857 1.00 . A A . 17 SER CA 1 1 12 11034 1 1 17 SER CB C 17.219 5.184 -4.805 1.00 . A A . 17 SER CB 1 1 12 11035 1 1 17 SER H H 17.754 2.912 -6.962 1.00 . A A . 17 SER H 1 1 12 11036 1 1 17 SER HA H 18.850 5.362 -6.256 1.00 . A A . 17 SER HA 1 1 12 11037 1 1 17 SER HB2 H 16.391 5.692 -5.345 1.00 . A A . 17 SER HB2 1 1 12 11038 1 1 17 SER HB3 H 16.773 4.367 -4.194 1.00 . A A . 17 SER HB3 1 1 12 11039 1 1 17 SER HG H 17.115 6.593 -3.474 1.00 . A A . 17 SER HG 1 1 12 11040 1 1 17 SER N N 17.583 3.892 -6.949 1.00 . A A . 17 SER N 1 1 12 11041 1 1 17 SER O O 19.292 2.464 -5.726 1.00 . A A . 17 SER O 1 1 12 11042 1 1 17 SER OG O 17.841 6.149 -3.952 1.00 . A A . 17 SER OG 1 1 12 11043 1 1 18 GLN C C 20.534 3.363 -1.864 1.00 . A A . 18 GLN C 1 1 12 11044 1 1 18 GLN CA C 20.599 3.073 -3.359 1.00 . A A . 18 GLN CA 1 1 12 11045 1 1 18 GLN CB C 21.993 3.445 -3.912 1.00 . A A . 18 GLN CB 1 1 12 11046 1 1 18 GLN CD C 24.512 2.851 -3.956 1.00 . A A . 18 GLN CD 1 1 12 11047 1 1 18 GLN CG C 23.141 2.586 -3.332 1.00 . A A . 18 GLN CG 1 1 12 11048 1 1 18 GLN H H 19.388 4.761 -3.632 1.00 . A A . 18 GLN H 1 1 12 11049 1 1 18 GLN HA H 20.411 2.028 -3.543 1.00 . A A . 18 GLN HA 1 1 12 11050 1 1 18 GLN HB2 H 21.931 3.310 -5.013 1.00 . A A . 18 GLN HB2 1 1 12 11051 1 1 18 GLN HB3 H 22.175 4.527 -3.721 1.00 . A A . 18 GLN HB3 1 1 12 11052 1 1 18 GLN HE21 H 23.767 4.201 -5.289 1.00 . A A . 18 GLN HE21 1 1 12 11053 1 1 18 GLN HE22 H 25.486 3.943 -5.357 1.00 . A A . 18 GLN HE22 1 1 12 11054 1 1 18 GLN HG2 H 23.234 2.769 -2.238 1.00 . A A . 18 GLN HG2 1 1 12 11055 1 1 18 GLN HG3 H 22.901 1.511 -3.481 1.00 . A A . 18 GLN HG3 1 1 12 11056 1 1 18 GLN N N 19.611 3.873 -4.022 1.00 . A A . 18 GLN N 1 1 12 11057 1 1 18 GLN NE2 N 24.588 3.718 -4.987 1.00 . A A . 18 GLN NE2 1 1 12 11058 1 1 18 GLN O O 21.037 4.394 -1.413 1.00 . A A . 18 GLN O 1 1 12 11059 1 1 18 GLN OE1 O 25.519 2.287 -3.515 1.00 . A A . 18 GLN OE1 1 1 12 11060 1 1 19 PRO C C 17.819 1.742 -2.111 1.00 . A A . 19 PRO C 1 1 12 11061 1 1 19 PRO CA C 19.131 1.344 -1.429 1.00 . A A . 19 PRO CA 1 1 12 11062 1 1 19 PRO CB C 18.875 0.672 -0.074 1.00 . A A . 19 PRO CB 1 1 12 11063 1 1 19 PRO CD C 19.805 2.830 0.372 1.00 . A A . 19 PRO CD 1 1 12 11064 1 1 19 PRO CG C 18.777 1.841 0.908 1.00 . A A . 19 PRO CG 1 1 12 11065 1 1 19 PRO HA H 19.693 0.713 -2.098 1.00 . A A . 19 PRO HA 1 1 12 11066 1 1 19 PRO HB2 H 17.960 0.036 -0.068 1.00 . A A . 19 PRO HB2 1 1 12 11067 1 1 19 PRO HB3 H 19.772 0.060 0.187 1.00 . A A . 19 PRO HB3 1 1 12 11068 1 1 19 PRO HD2 H 19.453 3.877 0.515 1.00 . A A . 19 PRO HD2 1 1 12 11069 1 1 19 PRO HD3 H 20.792 2.683 0.861 1.00 . A A . 19 PRO HD3 1 1 12 11070 1 1 19 PRO HG2 H 17.764 2.297 0.841 1.00 . A A . 19 PRO HG2 1 1 12 11071 1 1 19 PRO HG3 H 18.978 1.547 1.957 1.00 . A A . 19 PRO HG3 1 1 12 11072 1 1 19 PRO N N 19.931 2.509 -1.047 1.00 . A A . 19 PRO N 1 1 12 11073 1 1 19 PRO O O 17.409 2.894 -1.965 1.00 . A A . 19 PRO O 1 1 12 11074 1 1 20 PRO C C 14.760 1.179 -2.354 1.00 . A A . 20 PRO C 1 1 12 11075 1 1 20 PRO CA C 15.833 1.216 -3.424 1.00 . A A . 20 PRO CA 1 1 12 11076 1 1 20 PRO CB C 15.612 0.112 -4.469 1.00 . A A . 20 PRO CB 1 1 12 11077 1 1 20 PRO CD C 17.577 -0.465 -3.224 1.00 . A A . 20 PRO CD 1 1 12 11078 1 1 20 PRO CG C 16.349 -1.096 -3.889 1.00 . A A . 20 PRO CG 1 1 12 11079 1 1 20 PRO HA H 15.830 2.205 -3.855 1.00 . A A . 20 PRO HA 1 1 12 11080 1 1 20 PRO HB2 H 14.541 -0.094 -4.669 1.00 . A A . 20 PRO HB2 1 1 12 11081 1 1 20 PRO HB3 H 16.099 0.418 -5.421 1.00 . A A . 20 PRO HB3 1 1 12 11082 1 1 20 PRO HD2 H 17.872 -1.036 -2.316 1.00 . A A . 20 PRO HD2 1 1 12 11083 1 1 20 PRO HD3 H 18.422 -0.405 -3.947 1.00 . A A . 20 PRO HD3 1 1 12 11084 1 1 20 PRO HG2 H 15.713 -1.572 -3.108 1.00 . A A . 20 PRO HG2 1 1 12 11085 1 1 20 PRO HG3 H 16.620 -1.848 -4.658 1.00 . A A . 20 PRO HG3 1 1 12 11086 1 1 20 PRO N N 17.147 0.896 -2.884 1.00 . A A . 20 PRO N 1 1 12 11087 1 1 20 PRO O O 14.947 0.597 -1.286 1.00 . A A . 20 PRO O 1 1 12 11088 1 1 21 THR C C 11.356 2.358 -2.385 1.00 . A A . 21 THR C 1 1 12 11089 1 1 21 THR CA C 12.644 2.186 -1.626 1.00 . A A . 21 THR CA 1 1 12 11090 1 1 21 THR CB C 13.034 3.514 -0.979 1.00 . A A . 21 THR CB 1 1 12 11091 1 1 21 THR CG2 C 11.998 4.038 0.015 1.00 . A A . 21 THR CG2 1 1 12 11092 1 1 21 THR H H 13.498 2.283 -3.511 1.00 . A A . 21 THR H 1 1 12 11093 1 1 21 THR HA H 12.510 1.394 -0.901 1.00 . A A . 21 THR HA 1 1 12 11094 1 1 21 THR HB H 13.202 4.259 -1.798 1.00 . A A . 21 THR HB 1 1 12 11095 1 1 21 THR HG1 H 14.520 4.279 -0.015 1.00 . A A . 21 THR HG1 1 1 12 11096 1 1 21 THR HG21 H 11.041 4.272 -0.491 1.00 . A A . 21 THR HG21 1 1 12 11097 1 1 21 THR HG22 H 12.367 4.980 0.475 1.00 . A A . 21 THR HG22 1 1 12 11098 1 1 21 THR HG23 H 11.820 3.308 0.833 1.00 . A A . 21 THR HG23 1 1 12 11099 1 1 21 THR N N 13.610 1.806 -2.641 1.00 . A A . 21 THR N 1 1 12 11100 1 1 21 THR O O 11.352 2.749 -3.553 1.00 . A A . 21 THR O 1 1 12 11101 1 1 21 THR OG1 O 14.222 3.367 -0.217 1.00 . A A . 21 THR OG1 1 1 12 11102 1 1 22 CYS C C 7.776 2.152 -1.851 1.00 . A A . 22 CYS C 1 1 12 11103 1 1 22 CYS CA C 9.027 1.739 -2.590 1.00 . A A . 22 CYS CA 1 1 12 11104 1 1 22 CYS CB C 8.908 0.210 -2.908 1.00 . A A . 22 CYS CB 1 1 12 11105 1 1 22 CYS H H 10.171 1.643 -0.849 1.00 . A A . 22 CYS H 1 1 12 11106 1 1 22 CYS HA H 9.030 2.340 -3.485 1.00 . A A . 22 CYS HA 1 1 12 11107 1 1 22 CYS HB2 H 8.745 -0.334 -1.954 1.00 . A A . 22 CYS HB2 1 1 12 11108 1 1 22 CYS HB3 H 8.026 -0.011 -3.535 1.00 . A A . 22 CYS HB3 1 1 12 11109 1 1 22 CYS N N 10.207 1.984 -1.788 1.00 . A A . 22 CYS N 1 1 12 11110 1 1 22 CYS O O 7.799 2.797 -0.805 1.00 . A A . 22 CYS O 1 1 12 11111 1 1 22 CYS SG S 10.345 -0.549 -3.730 1.00 . A A . 22 CYS SG 1 1 12 11112 1 1 23 ARG C C 4.356 1.181 -2.692 1.00 . A A . 23 ARG C 1 1 12 11113 1 1 23 ARG CA C 5.330 1.953 -1.834 1.00 . A A . 23 ARG CA 1 1 12 11114 1 1 23 ARG CB C 4.910 3.446 -1.869 1.00 . A A . 23 ARG CB 1 1 12 11115 1 1 23 ARG CD C 2.993 5.143 -1.635 1.00 . A A . 23 ARG CD 1 1 12 11116 1 1 23 ARG CG C 3.541 3.771 -1.235 1.00 . A A . 23 ARG CG 1 1 12 11117 1 1 23 ARG CZ C 4.030 7.439 -1.557 1.00 . A A . 23 ARG CZ 1 1 12 11118 1 1 23 ARG H H 6.639 1.365 -3.327 1.00 . A A . 23 ARG H 1 1 12 11119 1 1 23 ARG HA H 5.300 1.560 -0.836 1.00 . A A . 23 ARG HA 1 1 12 11120 1 1 23 ARG HB2 H 5.682 4.045 -1.346 1.00 . A A . 23 ARG HB2 1 1 12 11121 1 1 23 ARG HB3 H 4.907 3.789 -2.924 1.00 . A A . 23 ARG HB3 1 1 12 11122 1 1 23 ARG HD2 H 2.958 5.221 -2.742 1.00 . A A . 23 ARG HD2 1 1 12 11123 1 1 23 ARG HD3 H 1.992 5.305 -1.190 1.00 . A A . 23 ARG HD3 1 1 12 11124 1 1 23 ARG HE H 4.454 5.936 -0.272 1.00 . A A . 23 ARG HE 1 1 12 11125 1 1 23 ARG HG2 H 2.775 3.047 -1.570 1.00 . A A . 23 ARG HG2 1 1 12 11126 1 1 23 ARG HG3 H 3.611 3.713 -0.129 1.00 . A A . 23 ARG HG3 1 1 12 11127 1 1 23 ARG HH11 H 2.680 7.291 -3.103 1.00 . A A . 23 ARG HH11 1 1 12 11128 1 1 23 ARG HH12 H 3.451 8.820 -2.971 1.00 . A A . 23 ARG HH12 1 1 12 11129 1 1 23 ARG HH21 H 5.388 7.827 -0.125 1.00 . A A . 23 ARG HH21 1 1 12 11130 1 1 23 ARG HH22 H 5.083 9.185 -1.184 1.00 . A A . 23 ARG HH22 1 1 12 11131 1 1 23 ARG N N 6.628 1.716 -2.391 1.00 . A A . 23 ARG N 1 1 12 11132 1 1 23 ARG NE N 3.906 6.171 -1.072 1.00 . A A . 23 ARG NE 1 1 12 11133 1 1 23 ARG NH1 N 3.320 7.891 -2.626 1.00 . A A . 23 ARG NH1 1 1 12 11134 1 1 23 ARG NH2 N 4.922 8.238 -0.908 1.00 . A A . 23 ARG NH2 1 1 12 11135 1 1 23 ARG O O 4.435 1.139 -3.919 1.00 . A A . 23 ARG O 1 1 12 11136 1 1 24 CYS C C 1.215 0.987 -2.872 1.00 . A A . 24 CYS C 1 1 12 11137 1 1 24 CYS CA C 2.252 -0.095 -2.646 1.00 . A A . 24 CYS CA 1 1 12 11138 1 1 24 CYS CB C 1.666 -1.223 -1.774 1.00 . A A . 24 CYS CB 1 1 12 11139 1 1 24 CYS H H 3.456 0.458 -1.031 1.00 . A A . 24 CYS H 1 1 12 11140 1 1 24 CYS HA H 2.541 -0.500 -3.605 1.00 . A A . 24 CYS HA 1 1 12 11141 1 1 24 CYS HB2 H 1.372 -0.821 -0.777 1.00 . A A . 24 CYS HB2 1 1 12 11142 1 1 24 CYS HB3 H 0.744 -1.630 -2.243 1.00 . A A . 24 CYS HB3 1 1 12 11143 1 1 24 CYS N N 3.410 0.502 -2.022 1.00 . A A . 24 CYS N 1 1 12 11144 1 1 24 CYS O O 0.508 1.400 -1.960 1.00 . A A . 24 CYS O 1 1 12 11145 1 1 24 CYS SG S 2.898 -2.542 -1.568 1.00 . A A . 24 CYS SG 1 1 12 11146 1 1 25 VAL C C -1.141 2.381 -4.456 1.00 . A A . 25 VAL C 1 1 12 11147 1 1 25 VAL CA C 0.351 2.627 -4.551 1.00 . A A . 25 VAL CA 1 1 12 11148 1 1 25 VAL CB C 0.765 3.121 -5.933 1.00 . A A . 25 VAL CB 1 1 12 11149 1 1 25 VAL CG1 C 2.247 3.538 -5.849 1.00 . A A . 25 VAL CG1 1 1 12 11150 1 1 25 VAL CG2 C 0.555 2.055 -7.025 1.00 . A A . 25 VAL CG2 1 1 12 11151 1 1 25 VAL H H 1.612 1.034 -4.854 1.00 . A A . 25 VAL H 1 1 12 11152 1 1 25 VAL HA H 0.537 3.426 -3.863 1.00 . A A . 25 VAL HA 1 1 12 11153 1 1 25 VAL HB H 0.166 4.024 -6.196 1.00 . A A . 25 VAL HB 1 1 12 11154 1 1 25 VAL HG11 H 2.901 2.670 -5.622 1.00 . A A . 25 VAL HG11 1 1 12 11155 1 1 25 VAL HG12 H 2.399 4.311 -5.061 1.00 . A A . 25 VAL HG12 1 1 12 11156 1 1 25 VAL HG13 H 2.577 3.974 -6.817 1.00 . A A . 25 VAL HG13 1 1 12 11157 1 1 25 VAL HG21 H 0.835 2.473 -8.015 1.00 . A A . 25 VAL HG21 1 1 12 11158 1 1 25 VAL HG22 H -0.505 1.731 -7.093 1.00 . A A . 25 VAL HG22 1 1 12 11159 1 1 25 VAL HG23 H 1.197 1.173 -6.849 1.00 . A A . 25 VAL HG23 1 1 12 11160 1 1 25 VAL N N 1.166 1.512 -4.110 1.00 . A A . 25 VAL N 1 1 12 11161 1 1 25 VAL O O -1.951 3.309 -4.435 1.00 . A A . 25 VAL O 1 1 12 11162 1 1 26 ASP C C -3.599 1.062 -3.047 1.00 . A A . 26 ASP C 1 1 12 11163 1 1 26 ASP CA C -2.897 0.654 -4.338 1.00 . A A . 26 ASP CA 1 1 12 11164 1 1 26 ASP CB C -3.024 -0.867 -4.572 1.00 . A A . 26 ASP CB 1 1 12 11165 1 1 26 ASP CG C -4.456 -1.237 -4.928 1.00 . A A . 26 ASP CG 1 1 12 11166 1 1 26 ASP H H -0.801 0.412 -4.383 1.00 . A A . 26 ASP H 1 1 12 11167 1 1 26 ASP HA H -3.397 1.161 -5.154 1.00 . A A . 26 ASP HA 1 1 12 11168 1 1 26 ASP HB2 H -2.377 -1.160 -5.415 1.00 . A A . 26 ASP HB2 1 1 12 11169 1 1 26 ASP HB3 H -2.730 -1.433 -3.665 1.00 . A A . 26 ASP HB3 1 1 12 11170 1 1 26 ASP HD2 H -5.667 -1.237 -6.407 1.00 . A A . 26 ASP HD2 1 1 12 11171 1 1 26 ASP N N -1.525 1.094 -4.395 1.00 . A A . 26 ASP N 1 1 12 11172 1 1 26 ASP O O -3.392 0.507 -1.972 1.00 . A A . 26 ASP O 1 1 12 11173 1 1 26 ASP OD1 O -5.246 -1.780 -4.190 1.00 . A A . 26 ASP OD1 1 1 12 11174 1 1 26 ASP OD2 O -4.774 -0.932 -6.220 1.00 . A A . 26 ASP OD2 1 1 12 11175 1 1 27 VAL C C -6.448 1.843 -1.734 1.00 . A A . 27 VAL C 1 1 12 11176 1 1 27 VAL CA C -5.262 2.678 -2.172 1.00 . A A . 27 VAL CA 1 1 12 11177 1 1 27 VAL CB C -5.704 4.026 -2.705 1.00 . A A . 27 VAL CB 1 1 12 11178 1 1 27 VAL CG1 C -6.638 3.908 -3.921 1.00 . A A . 27 VAL CG1 1 1 12 11179 1 1 27 VAL CG2 C -6.405 4.837 -1.623 1.00 . A A . 27 VAL CG2 1 1 12 11180 1 1 27 VAL H H -4.494 2.515 -4.080 1.00 . A A . 27 VAL H 1 1 12 11181 1 1 27 VAL HA H -4.658 2.839 -1.290 1.00 . A A . 27 VAL HA 1 1 12 11182 1 1 27 VAL HB H -4.778 4.563 -3.017 1.00 . A A . 27 VAL HB 1 1 12 11183 1 1 27 VAL HG11 H -6.830 4.917 -4.335 1.00 . A A . 27 VAL HG11 1 1 12 11184 1 1 27 VAL HG12 H -7.619 3.493 -3.602 1.00 . A A . 27 VAL HG12 1 1 12 11185 1 1 27 VAL HG13 H -6.230 3.273 -4.728 1.00 . A A . 27 VAL HG13 1 1 12 11186 1 1 27 VAL HG21 H -7.412 4.416 -1.412 1.00 . A A . 27 VAL HG21 1 1 12 11187 1 1 27 VAL HG22 H -6.528 5.883 -1.975 1.00 . A A . 27 VAL HG22 1 1 12 11188 1 1 27 VAL HG23 H -5.807 4.851 -0.692 1.00 . A A . 27 VAL HG23 1 1 12 11189 1 1 27 VAL N N -4.454 2.071 -3.194 1.00 . A A . 27 VAL N 1 1 12 11190 1 1 27 VAL O O -7.155 1.235 -2.542 1.00 . A A . 27 VAL O 1 1 12 11191 1 1 28 ARG C C -8.571 1.923 1.089 1.00 . A A . 28 ARG C 1 1 12 11192 1 1 28 ARG CA C -7.800 1.065 0.138 1.00 . A A . 28 ARG CA 1 1 12 11193 1 1 28 ARG CB C -7.343 -0.201 0.894 1.00 . A A . 28 ARG CB 1 1 12 11194 1 1 28 ARG CD C -7.823 -1.842 -1.004 1.00 . A A . 28 ARG CD 1 1 12 11195 1 1 28 ARG CG C -6.769 -1.273 -0.044 1.00 . A A . 28 ARG CG 1 1 12 11196 1 1 28 ARG CZ C -7.402 -3.882 -2.485 1.00 . A A . 28 ARG CZ 1 1 12 11197 1 1 28 ARG H H -6.141 2.320 0.258 1.00 . A A . 28 ARG H 1 1 12 11198 1 1 28 ARG HA H -8.492 0.800 -0.643 1.00 . A A . 28 ARG HA 1 1 12 11199 1 1 28 ARG HB2 H -6.564 0.103 1.626 1.00 . A A . 28 ARG HB2 1 1 12 11200 1 1 28 ARG HB3 H -8.201 -0.639 1.449 1.00 . A A . 28 ARG HB3 1 1 12 11201 1 1 28 ARG HD2 H -8.535 -2.464 -0.430 1.00 . A A . 28 ARG HD2 1 1 12 11202 1 1 28 ARG HD3 H -8.382 -1.023 -1.500 1.00 . A A . 28 ARG HD3 1 1 12 11203 1 1 28 ARG HE H -6.442 -2.100 -2.622 1.00 . A A . 28 ARG HE 1 1 12 11204 1 1 28 ARG HG2 H -5.931 -0.814 -0.618 1.00 . A A . 28 ARG HG2 1 1 12 11205 1 1 28 ARG HG3 H -6.365 -2.113 0.560 1.00 . A A . 28 ARG HG3 1 1 12 11206 1 1 28 ARG HH11 H -8.772 -4.347 -1.023 1.00 . A A . 28 ARG HH11 1 1 12 11207 1 1 28 ARG HH12 H -8.456 -5.607 -2.166 1.00 . A A . 28 ARG HH12 1 1 12 11208 1 1 28 ARG HH21 H -6.122 -3.780 -4.084 1.00 . A A . 28 ARG HH21 1 1 12 11209 1 1 28 ARG HH22 H -6.940 -5.302 -3.902 1.00 . A A . 28 ARG HH22 1 1 12 11210 1 1 28 ARG N N -6.687 1.805 -0.405 1.00 . A A . 28 ARG N 1 1 12 11211 1 1 28 ARG NE N -7.118 -2.607 -2.083 1.00 . A A . 28 ARG NE 1 1 12 11212 1 1 28 ARG NH1 N -8.304 -4.673 -1.842 1.00 . A A . 28 ARG NH1 1 1 12 11213 1 1 28 ARG NH2 N -6.743 -4.377 -3.575 1.00 . A A . 28 ARG NH2 1 1 12 11214 1 1 28 ARG O O -8.068 2.909 1.612 1.00 . A A . 28 ARG O 1 1 12 11215 1 1 29 GLU C C -9.890 1.597 3.818 1.00 . A A . 29 GLU C 1 1 12 11216 1 1 29 GLU CA C -10.596 1.913 2.510 1.00 . A A . 29 GLU CA 1 1 12 11217 1 1 29 GLU CB C -11.950 1.178 2.419 1.00 . A A . 29 GLU CB 1 1 12 11218 1 1 29 GLU CD C -14.217 1.089 1.322 1.00 . A A . 29 GLU CD 1 1 12 11219 1 1 29 GLU CG C -12.928 1.871 1.456 1.00 . A A . 29 GLU CG 1 1 12 11220 1 1 29 GLU H H -10.253 0.826 0.792 1.00 . A A . 29 GLU H 1 1 12 11221 1 1 29 GLU HA H -10.748 2.982 2.500 1.00 . A A . 29 GLU HA 1 1 12 11222 1 1 29 GLU HB2 H -11.764 0.145 2.046 1.00 . A A . 29 GLU HB2 1 1 12 11223 1 1 29 GLU HB3 H -12.415 1.112 3.422 1.00 . A A . 29 GLU HB3 1 1 12 11224 1 1 29 GLU HE2 H -14.643 1.714 3.141 1.00 . A A . 29 GLU HE2 1 1 12 11225 1 1 29 GLU HG2 H -13.150 2.900 1.804 1.00 . A A . 29 GLU HG2 1 1 12 11226 1 1 29 GLU HG3 H -12.466 1.933 0.448 1.00 . A A . 29 GLU HG3 1 1 12 11227 1 1 29 GLU N N -9.835 1.559 1.339 1.00 . A A . 29 GLU N 1 1 12 11228 1 1 29 GLU O O -9.577 2.467 4.624 1.00 . A A . 29 GLU O 1 1 12 11229 1 1 29 GLU OE1 O -14.508 0.346 0.406 1.00 . A A . 29 GLU OE1 1 1 12 11230 1 1 29 GLU OE2 O -15.076 1.301 2.375 1.00 . A A . 29 GLU OE2 1 1 12 11231 1 1 30 SER C C -7.502 -0.045 5.228 1.00 . A A . 30 SER C 1 1 12 11232 1 1 30 SER CA C -8.985 -0.244 5.216 1.00 . A A . 30 SER CA 1 1 12 11233 1 1 30 SER CB C -9.248 -1.739 5.494 1.00 . A A . 30 SER CB 1 1 12 11234 1 1 30 SER H H -9.869 -0.360 3.335 1.00 . A A . 30 SER H 1 1 12 11235 1 1 30 SER HA H -9.358 0.312 6.068 1.00 . A A . 30 SER HA 1 1 12 11236 1 1 30 SER HB2 H -8.801 -2.380 4.700 1.00 . A A . 30 SER HB2 1 1 12 11237 1 1 30 SER HB3 H -8.770 -2.017 6.463 1.00 . A A . 30 SER HB3 1 1 12 11238 1 1 30 SER HG H -10.723 -2.876 5.985 1.00 . A A . 30 SER HG 1 1 12 11239 1 1 30 SER N N -9.680 0.295 4.059 1.00 . A A . 30 SER N 1 1 12 11240 1 1 30 SER O O -6.762 -0.572 4.398 1.00 . A A . 30 SER O 1 1 12 11241 1 1 30 SER OG O -10.649 -1.993 5.588 1.00 . A A . 30 SER OG 1 1 12 11242 1 1 31 CYS C C -5.170 -0.173 7.539 1.00 . A A . 31 CYS C 1 1 12 11243 1 1 31 CYS CA C -5.614 0.832 6.500 1.00 . A A . 31 CYS CA 1 1 12 11244 1 1 31 CYS CB C -5.197 2.271 6.875 1.00 . A A . 31 CYS CB 1 1 12 11245 1 1 31 CYS H H -7.670 1.106 6.898 1.00 . A A . 31 CYS H 1 1 12 11246 1 1 31 CYS HA H -5.088 0.582 5.589 1.00 . A A . 31 CYS HA 1 1 12 11247 1 1 31 CYS HB2 H -5.865 2.959 6.295 1.00 . A A . 31 CYS HB2 1 1 12 11248 1 1 31 CYS HB3 H -5.365 2.456 7.966 1.00 . A A . 31 CYS HB3 1 1 12 11249 1 1 31 CYS N N -7.025 0.701 6.238 1.00 . A A . 31 CYS N 1 1 12 11250 1 1 31 CYS O O -5.960 -0.837 8.200 1.00 . A A . 31 CYS O 1 1 12 11251 1 1 31 CYS SG S -3.471 2.599 6.386 1.00 . A A . 31 CYS SG 1 1 12 11252 1 1 32 HIS C C -1.811 -0.833 8.557 1.00 . A A . 32 HIS C 1 1 12 11253 1 1 32 HIS CA C -3.208 -1.375 8.424 1.00 . A A . 32 HIS CA 1 1 12 11254 1 1 32 HIS CB C -3.189 -2.774 7.751 1.00 . A A . 32 HIS CB 1 1 12 11255 1 1 32 HIS CD2 C -4.611 -2.861 5.580 1.00 . A A . 32 HIS CD2 1 1 12 11256 1 1 32 HIS CE1 C -3.045 -2.179 4.218 1.00 . A A . 32 HIS CE1 1 1 12 11257 1 1 32 HIS CG C -3.464 -2.721 6.283 1.00 . A A . 32 HIS CG 1 1 12 11258 1 1 32 HIS H H -3.208 0.205 7.127 1.00 . A A . 32 HIS H 1 1 12 11259 1 1 32 HIS HA H -3.659 -1.404 9.406 1.00 . A A . 32 HIS HA 1 1 12 11260 1 1 32 HIS HB2 H -2.203 -3.274 7.889 1.00 . A A . 32 HIS HB2 1 1 12 11261 1 1 32 HIS HB3 H -3.999 -3.389 8.206 1.00 . A A . 32 HIS HB3 1 1 12 11262 1 1 32 HIS HD1 H -1.565 -2.073 5.667 1.00 . A A . 32 HIS HD1 1 1 12 11263 1 1 32 HIS HD2 H -5.590 -3.187 5.911 1.00 . A A . 32 HIS HD2 1 1 12 11264 1 1 32 HIS HE1 H -2.515 -1.832 3.362 1.00 . A A . 32 HIS HE1 1 1 12 11265 1 1 32 HIS HE2 H -4.982 -2.506 3.529 1.00 . A A . 32 HIS HE2 1 1 12 11266 1 1 32 HIS N N -3.850 -0.379 7.615 1.00 . A A . 32 HIS N 1 1 12 11267 1 1 32 HIS ND1 N -2.503 -2.297 5.415 1.00 . A A . 32 HIS ND1 1 1 12 11268 1 1 32 HIS NE2 N -4.326 -2.515 4.286 1.00 . A A . 32 HIS NE2 1 1 12 11269 1 1 32 HIS O O -1.309 -0.153 7.661 1.00 . A A . 32 HIS O 1 1 12 11270 1 1 33 SER C C 1.294 -0.973 9.459 1.00 . A A . 33 SER C 1 1 12 11271 1 1 33 SER CA C 0.056 -0.410 10.112 1.00 . A A . 33 SER CA 1 1 12 11272 1 1 33 SER CB C 0.267 -0.434 11.650 1.00 . A A . 33 SER CB 1 1 12 11273 1 1 33 SER H H -1.562 -1.731 10.354 1.00 . A A . 33 SER H 1 1 12 11274 1 1 33 SER HA H -0.026 0.623 9.791 1.00 . A A . 33 SER HA 1 1 12 11275 1 1 33 SER HB2 H 0.196 -1.477 12.035 1.00 . A A . 33 SER HB2 1 1 12 11276 1 1 33 SER HB3 H 1.269 -0.035 11.925 1.00 . A A . 33 SER HB3 1 1 12 11277 1 1 33 SER HG H -0.494 0.378 13.239 1.00 . A A . 33 SER HG 1 1 12 11278 1 1 33 SER N N -1.154 -1.095 9.693 1.00 . A A . 33 SER N 1 1 12 11279 1 1 33 SER O O 2.134 -1.621 10.079 1.00 . A A . 33 SER O 1 1 12 11280 1 1 33 SER OG O -0.721 0.374 12.282 1.00 . A A . 33 SER OG 1 1 12 11281 1 1 34 ALA C C 3.703 0.106 7.679 1.00 . A A . 34 ALA C 1 1 12 11282 1 1 34 ALA CA C 2.629 -0.931 7.382 1.00 . A A . 34 ALA CA 1 1 12 11283 1 1 34 ALA CB C 2.279 -0.947 5.880 1.00 . A A . 34 ALA CB 1 1 12 11284 1 1 34 ALA H H 0.636 -0.334 7.674 1.00 . A A . 34 ALA H 1 1 12 11285 1 1 34 ALA HA H 3.027 -1.889 7.669 1.00 . A A . 34 ALA HA 1 1 12 11286 1 1 34 ALA HB1 H 1.877 0.031 5.541 1.00 . A A . 34 ALA HB1 1 1 12 11287 1 1 34 ALA HB2 H 1.506 -1.725 5.699 1.00 . A A . 34 ALA HB2 1 1 12 11288 1 1 34 ALA HB3 H 3.171 -1.203 5.268 1.00 . A A . 34 ALA HB3 1 1 12 11289 1 1 34 ALA N N 1.437 -0.693 8.153 1.00 . A A . 34 ALA N 1 1 12 11290 1 1 34 ALA O O 4.899 -0.172 7.656 1.00 . A A . 34 ALA O 1 1 12 11291 1 1 35 CYS C C 3.404 2.992 9.697 1.00 . A A . 35 CYS C 1 1 12 11292 1 1 35 CYS CA C 4.073 2.435 8.458 1.00 . A A . 35 CYS CA 1 1 12 11293 1 1 35 CYS CB C 4.207 3.475 7.334 1.00 . A A . 35 CYS CB 1 1 12 11294 1 1 35 CYS H H 2.307 1.538 7.989 1.00 . A A . 35 CYS H 1 1 12 11295 1 1 35 CYS HA H 5.050 2.089 8.751 1.00 . A A . 35 CYS HA 1 1 12 11296 1 1 35 CYS HB2 H 4.990 4.214 7.613 1.00 . A A . 35 CYS HB2 1 1 12 11297 1 1 35 CYS HB3 H 4.554 2.898 6.446 1.00 . A A . 35 CYS HB3 1 1 12 11298 1 1 35 CYS N N 3.273 1.341 7.980 1.00 . A A . 35 CYS N 1 1 12 11299 1 1 35 CYS O O 2.483 2.372 10.224 1.00 . A A . 35 CYS O 1 1 12 11300 1 1 35 CYS SG S 2.682 4.359 6.866 1.00 . A A . 35 CYS SG 1 1 12 11301 1 1 36 ASP C C 2.339 5.942 11.132 1.00 . A A . 36 ASP C 1 1 12 11302 1 1 36 ASP CA C 3.260 4.753 11.399 1.00 . A A . 36 ASP CA 1 1 12 11303 1 1 36 ASP CB C 4.398 5.149 12.372 1.00 . A A . 36 ASP CB 1 1 12 11304 1 1 36 ASP CG C 4.101 4.743 13.805 1.00 . A A . 36 ASP CG 1 1 12 11305 1 1 36 ASP H H 4.606 4.643 9.768 1.00 . A A . 36 ASP H 1 1 12 11306 1 1 36 ASP HA H 2.631 4.015 11.875 1.00 . A A . 36 ASP HA 1 1 12 11307 1 1 36 ASP HB2 H 5.330 4.613 12.089 1.00 . A A . 36 ASP HB2 1 1 12 11308 1 1 36 ASP HB3 H 4.610 6.232 12.332 1.00 . A A . 36 ASP HB3 1 1 12 11309 1 1 36 ASP HD2 H 2.411 5.701 13.588 1.00 . A A . 36 ASP HD2 1 1 12 11310 1 1 36 ASP N N 3.834 4.166 10.196 1.00 . A A . 36 ASP N 1 1 12 11311 1 1 36 ASP O O 1.701 6.440 12.057 1.00 . A A . 36 ASP O 1 1 12 11312 1 1 36 ASP OD1 O 4.825 4.054 14.499 1.00 . A A . 36 ASP OD1 1 1 12 11313 1 1 36 ASP OD2 O 2.904 5.229 14.268 1.00 . A A . 36 ASP OD2 1 1 12 11314 1 1 37 LYS C C 0.588 7.217 8.277 1.00 . A A . 37 LYS C 1 1 12 11315 1 1 37 LYS CA C 1.415 7.549 9.506 1.00 . A A . 37 LYS CA 1 1 12 11316 1 1 37 LYS CB C 2.295 8.794 9.253 1.00 . A A . 37 LYS CB 1 1 12 11317 1 1 37 LYS CD C 2.290 11.342 9.579 1.00 . A A . 37 LYS CD 1 1 12 11318 1 1 37 LYS CE C 3.688 11.571 8.980 1.00 . A A . 37 LYS CE 1 1 12 11319 1 1 37 LYS CG C 1.514 10.103 9.082 1.00 . A A . 37 LYS CG 1 1 12 11320 1 1 37 LYS H H 2.873 6.118 9.178 1.00 . A A . 37 LYS H 1 1 12 11321 1 1 37 LYS HA H 0.713 7.767 10.298 1.00 . A A . 37 LYS HA 1 1 12 11322 1 1 37 LYS HB2 H 2.967 8.891 10.133 1.00 . A A . 37 LYS HB2 1 1 12 11323 1 1 37 LYS HB3 H 2.946 8.629 8.369 1.00 . A A . 37 LYS HB3 1 1 12 11324 1 1 37 LYS HD2 H 1.670 12.254 9.421 1.00 . A A . 37 LYS HD2 1 1 12 11325 1 1 37 LYS HD3 H 2.430 11.236 10.681 1.00 . A A . 37 LYS HD3 1 1 12 11326 1 1 37 LYS HE2 H 4.199 12.382 9.541 1.00 . A A . 37 LYS HE2 1 1 12 11327 1 1 37 LYS HE3 H 4.319 10.661 9.034 1.00 . A A . 37 LYS HE3 1 1 12 11328 1 1 37 LYS HG2 H 1.213 10.215 8.018 1.00 . A A . 37 LYS HG2 1 1 12 11329 1 1 37 LYS HG3 H 0.575 10.023 9.679 1.00 . A A . 37 LYS HG3 1 1 12 11330 1 1 37 LYS HZ1 H 3.076 11.313 7.015 1.00 . A A . 37 LYS HZ1 1 1 12 11331 1 1 37 LYS HZ2 H 4.591 12.066 7.186 1.00 . A A . 37 LYS HZ2 1 1 12 11332 1 1 37 LYS HZ3 H 3.167 12.935 7.513 1.00 . A A . 37 LYS HZ3 1 1 12 11333 1 1 37 LYS N N 2.262 6.442 9.886 1.00 . A A . 37 LYS N 1 1 12 11334 1 1 37 LYS NZ N 3.622 12.002 7.567 1.00 . A A . 37 LYS NZ 1 1 12 11335 1 1 37 LYS O O 0.938 7.523 7.133 1.00 . A A . 37 LYS O 1 1 12 11336 1 1 38 CYS C C -2.520 7.569 7.439 1.00 . A A . 38 CYS C 1 1 12 11337 1 1 38 CYS CA C -1.578 6.383 7.487 1.00 . A A . 38 CYS CA 1 1 12 11338 1 1 38 CYS CB C -2.352 5.072 7.743 1.00 . A A . 38 CYS CB 1 1 12 11339 1 1 38 CYS H H -0.784 6.147 9.381 1.00 . A A . 38 CYS H 1 1 12 11340 1 1 38 CYS HA H -1.104 6.313 6.519 1.00 . A A . 38 CYS HA 1 1 12 11341 1 1 38 CYS HB2 H -1.578 4.290 7.940 1.00 . A A . 38 CYS HB2 1 1 12 11342 1 1 38 CYS HB3 H -2.968 5.180 8.668 1.00 . A A . 38 CYS HB3 1 1 12 11343 1 1 38 CYS N N -0.567 6.567 8.493 1.00 . A A . 38 CYS N 1 1 12 11344 1 1 38 CYS O O -3.071 8.022 8.447 1.00 . A A . 38 CYS O 1 1 12 11345 1 1 38 CYS SG S -3.363 4.607 6.304 1.00 . A A . 38 CYS SG 1 1 12 11346 1 1 39 VAL C C -4.566 8.931 5.030 1.00 . A A . 39 VAL C 1 1 12 11347 1 1 39 VAL CA C -3.402 9.304 5.927 1.00 . A A . 39 VAL CA 1 1 12 11348 1 1 39 VAL CB C -2.413 10.252 5.288 1.00 . A A . 39 VAL CB 1 1 12 11349 1 1 39 VAL CG1 C -1.953 9.861 3.880 1.00 . A A . 39 VAL CG1 1 1 12 11350 1 1 39 VAL CG2 C -2.978 11.659 5.245 1.00 . A A . 39 VAL CG2 1 1 12 11351 1 1 39 VAL H H -2.224 7.740 5.421 1.00 . A A . 39 VAL H 1 1 12 11352 1 1 39 VAL HA H -3.789 9.752 6.827 1.00 . A A . 39 VAL HA 1 1 12 11353 1 1 39 VAL HB H -1.517 10.217 5.944 1.00 . A A . 39 VAL HB 1 1 12 11354 1 1 39 VAL HG11 H -1.208 10.616 3.543 1.00 . A A . 39 VAL HG11 1 1 12 11355 1 1 39 VAL HG12 H -2.813 9.890 3.179 1.00 . A A . 39 VAL HG12 1 1 12 11356 1 1 39 VAL HG13 H -1.487 8.855 3.867 1.00 . A A . 39 VAL HG13 1 1 12 11357 1 1 39 VAL HG21 H -2.198 12.338 4.844 1.00 . A A . 39 VAL HG21 1 1 12 11358 1 1 39 VAL HG22 H -3.279 11.987 6.261 1.00 . A A . 39 VAL HG22 1 1 12 11359 1 1 39 VAL HG23 H -3.848 11.689 4.556 1.00 . A A . 39 VAL HG23 1 1 12 11360 1 1 39 VAL N N -2.667 8.119 6.231 1.00 . A A . 39 VAL N 1 1 12 11361 1 1 39 VAL O O -4.472 8.006 4.225 1.00 . A A . 39 VAL O 1 1 12 11362 1 1 40 CYS C C -7.868 10.240 4.140 1.00 . A A . 40 CYS C 1 1 12 11363 1 1 40 CYS CA C -6.949 9.126 4.595 1.00 . A A . 40 CYS CA 1 1 12 11364 1 1 40 CYS CB C -7.749 8.337 5.648 1.00 . A A . 40 CYS CB 1 1 12 11365 1 1 40 CYS H H -5.833 10.373 5.800 1.00 . A A . 40 CYS H 1 1 12 11366 1 1 40 CYS HA H -6.751 8.511 3.739 1.00 . A A . 40 CYS HA 1 1 12 11367 1 1 40 CYS HB2 H -7.906 9.003 6.510 1.00 . A A . 40 CYS HB2 1 1 12 11368 1 1 40 CYS HB3 H -8.749 8.107 5.243 1.00 . A A . 40 CYS HB3 1 1 12 11369 1 1 40 CYS N N -5.717 9.624 5.152 1.00 . A A . 40 CYS N 1 1 12 11370 1 1 40 CYS O O -8.339 11.066 4.920 1.00 . A A . 40 CYS O 1 1 12 11371 1 1 40 CYS SG S -6.978 6.794 6.215 1.00 . A A . 40 CYS SG 1 1 12 11372 1 1 41 ALA C C -10.578 10.673 2.544 1.00 . A A . 41 ALA C 1 1 12 11373 1 1 41 ALA CA C -9.150 11.082 2.204 1.00 . A A . 41 ALA CA 1 1 12 11374 1 1 41 ALA CB C -8.962 11.175 0.684 1.00 . A A . 41 ALA CB 1 1 12 11375 1 1 41 ALA H H -7.831 9.477 2.301 1.00 . A A . 41 ALA H 1 1 12 11376 1 1 41 ALA HA H -9.038 12.085 2.581 1.00 . A A . 41 ALA HA 1 1 12 11377 1 1 41 ALA HB1 H -7.935 11.541 0.474 1.00 . A A . 41 ALA HB1 1 1 12 11378 1 1 41 ALA HB2 H -9.685 11.906 0.262 1.00 . A A . 41 ALA HB2 1 1 12 11379 1 1 41 ALA HB3 H -9.102 10.190 0.198 1.00 . A A . 41 ALA HB3 1 1 12 11380 1 1 41 ALA N N -8.133 10.268 2.825 1.00 . A A . 41 ALA N 1 1 12 11381 1 1 41 ALA O O -10.966 9.511 2.469 1.00 . A A . 41 ALA O 1 1 12 11382 1 1 42 TYR C C -13.842 11.319 2.284 1.00 . A A . 42 TYR C 1 1 12 11383 1 1 42 TYR CA C -12.772 11.514 3.351 1.00 . A A . 42 TYR CA 1 1 12 11384 1 1 42 TYR CB C -13.099 12.723 4.249 1.00 . A A . 42 TYR CB 1 1 12 11385 1 1 42 TYR CD1 C -13.465 14.647 2.621 1.00 . A A . 42 TYR CD1 1 1 12 11386 1 1 42 TYR CD2 C -11.499 14.680 4.028 1.00 . A A . 42 TYR CD2 1 1 12 11387 1 1 42 TYR CE1 C -13.096 15.885 2.071 1.00 . A A . 42 TYR CE1 1 1 12 11388 1 1 42 TYR CE2 C -11.144 15.924 3.497 1.00 . A A . 42 TYR CE2 1 1 12 11389 1 1 42 TYR CG C -12.688 14.044 3.627 1.00 . A A . 42 TYR CG 1 1 12 11390 1 1 42 TYR CZ C -11.948 16.533 2.534 1.00 . A A . 42 TYR CZ 1 1 12 11391 1 1 42 TYR H H -11.071 12.601 2.894 1.00 . A A . 42 TYR H 1 1 12 11392 1 1 42 TYR HA H -12.798 10.627 3.962 1.00 . A A . 42 TYR HA 1 1 12 11393 1 1 42 TYR HB2 H -14.178 12.764 4.521 1.00 . A A . 42 TYR HB2 1 1 12 11394 1 1 42 TYR HB3 H -12.514 12.563 5.182 1.00 . A A . 42 TYR HB3 1 1 12 11395 1 1 42 TYR HD1 H -14.355 14.156 2.256 1.00 . A A . 42 TYR HD1 1 1 12 11396 1 1 42 TYR HD2 H -10.838 14.215 4.744 1.00 . A A . 42 TYR HD2 1 1 12 11397 1 1 42 TYR HE1 H -13.711 16.337 1.307 1.00 . A A . 42 TYR HE1 1 1 12 11398 1 1 42 TYR HE2 H -10.241 16.407 3.837 1.00 . A A . 42 TYR HE2 1 1 12 11399 1 1 42 TYR HH H -12.208 18.082 1.372 1.00 . A A . 42 TYR HH 1 1 12 11400 1 1 42 TYR N N -11.416 11.668 2.868 1.00 . A A . 42 TYR N 1 1 12 11401 1 1 42 TYR O O -14.998 11.720 2.415 1.00 . A A . 42 TYR O 1 1 12 11402 1 1 42 TYR OH O -11.579 17.803 2.061 1.00 . A A . 42 TYR OH 1 1 12 11403 1 1 43 SER C C -15.406 9.460 0.172 1.00 . A A . 43 SER C 1 1 12 11404 1 1 43 SER CA C -14.181 10.354 -0.010 1.00 . A A . 43 SER CA 1 1 12 11405 1 1 43 SER CB C -13.229 9.754 -1.079 1.00 . A A . 43 SER CB 1 1 12 11406 1 1 43 SER H H -12.480 10.394 1.218 1.00 . A A . 43 SER H 1 1 12 11407 1 1 43 SER HA H -14.555 11.286 -0.405 1.00 . A A . 43 SER HA 1 1 12 11408 1 1 43 SER HB2 H -12.913 8.730 -0.766 1.00 . A A . 43 SER HB2 1 1 12 11409 1 1 43 SER HB3 H -13.738 9.711 -2.069 1.00 . A A . 43 SER HB3 1 1 12 11410 1 1 43 SER HG H -11.544 10.194 -1.961 1.00 . A A . 43 SER HG 1 1 12 11411 1 1 43 SER N N -13.432 10.687 1.188 1.00 . A A . 43 SER N 1 1 12 11412 1 1 43 SER O O -15.920 9.234 1.260 1.00 . A A . 43 SER O 1 1 12 11413 1 1 43 SER OG O -12.056 10.558 -1.213 1.00 . A A . 43 SER OG 1 1 12 11414 1 1 44 ASN C C -16.702 7.014 -2.126 1.00 . A A . 44 ASN C 1 1 12 11415 1 1 44 ASN CA C -17.027 7.996 -1.002 1.00 . A A . 44 ASN CA 1 1 12 11416 1 1 44 ASN CB C -18.274 8.779 -1.479 1.00 . A A . 44 ASN CB 1 1 12 11417 1 1 44 ASN CG C -19.164 9.298 -0.358 1.00 . A A . 44 ASN CG 1 1 12 11418 1 1 44 ASN H H -15.550 9.156 -1.821 1.00 . A A . 44 ASN H 1 1 12 11419 1 1 44 ASN HA H -17.191 7.470 -0.086 1.00 . A A . 44 ASN HA 1 1 12 11420 1 1 44 ASN HB2 H -17.940 9.613 -2.121 1.00 . A A . 44 ASN HB2 1 1 12 11421 1 1 44 ASN HB3 H -18.928 8.141 -2.109 1.00 . A A . 44 ASN HB3 1 1 12 11422 1 1 44 ASN HD21 H -17.745 10.566 0.380 1.00 . A A . 44 ASN HD21 1 1 12 11423 1 1 44 ASN HD22 H -19.276 10.637 1.160 1.00 . A A . 44 ASN HD22 1 1 12 11424 1 1 44 ASN N N -15.879 8.863 -0.930 1.00 . A A . 44 ASN N 1 1 12 11425 1 1 44 ASN ND2 N -18.678 10.241 0.466 1.00 . A A . 44 ASN ND2 1 1 12 11426 1 1 44 ASN O O -16.794 7.367 -3.302 1.00 . A A . 44 ASN O 1 1 12 11427 1 1 44 ASN OD1 O -20.321 8.876 -0.266 1.00 . A A . 44 ASN OD1 1 1 12 11428 1 1 45 PRO C C -14.563 5.956 -0.073 1.00 . A A . 45 PRO C 1 1 12 11429 1 1 45 PRO CA C -15.881 5.317 -0.506 1.00 . A A . 45 PRO CA 1 1 12 11430 1 1 45 PRO CB C -15.742 3.811 -0.733 1.00 . A A . 45 PRO CB 1 1 12 11431 1 1 45 PRO CD C -15.967 4.831 -2.884 1.00 . A A . 45 PRO CD 1 1 12 11432 1 1 45 PRO CG C -15.241 3.693 -2.171 1.00 . A A . 45 PRO CG 1 1 12 11433 1 1 45 PRO HA H -16.635 5.564 0.222 1.00 . A A . 45 PRO HA 1 1 12 11434 1 1 45 PRO HB2 H -15.097 3.318 0.006 1.00 . A A . 45 PRO HB2 1 1 12 11435 1 1 45 PRO HB3 H -16.740 3.339 -0.643 1.00 . A A . 45 PRO HB3 1 1 12 11436 1 1 45 PRO HD2 H -15.314 5.293 -3.658 1.00 . A A . 45 PRO HD2 1 1 12 11437 1 1 45 PRO HD3 H -16.914 4.472 -3.344 1.00 . A A . 45 PRO HD3 1 1 12 11438 1 1 45 PRO HG2 H -14.145 3.863 -2.207 1.00 . A A . 45 PRO HG2 1 1 12 11439 1 1 45 PRO HG3 H -15.462 2.712 -2.622 1.00 . A A . 45 PRO HG3 1 1 12 11440 1 1 45 PRO N N -16.293 5.787 -1.826 1.00 . A A . 45 PRO N 1 1 12 11441 1 1 45 PRO O O -13.836 6.446 -0.942 1.00 . A A . 45 PRO O 1 1 12 11442 1 1 46 PRO C C -11.780 6.022 1.324 1.00 . A A . 46 PRO C 1 1 12 11443 1 1 46 PRO CA C -13.050 6.771 1.658 1.00 . A A . 46 PRO CA 1 1 12 11444 1 1 46 PRO CB C -13.272 6.912 3.164 1.00 . A A . 46 PRO CB 1 1 12 11445 1 1 46 PRO CD C -14.978 5.453 2.320 1.00 . A A . 46 PRO CD 1 1 12 11446 1 1 46 PRO CG C -14.074 5.668 3.533 1.00 . A A . 46 PRO CG 1 1 12 11447 1 1 46 PRO HA H -12.993 7.732 1.177 1.00 . A A . 46 PRO HA 1 1 12 11448 1 1 46 PRO HB2 H -12.332 7.007 3.743 1.00 . A A . 46 PRO HB2 1 1 12 11449 1 1 46 PRO HB3 H -13.905 7.808 3.353 1.00 . A A . 46 PRO HB3 1 1 12 11450 1 1 46 PRO HD2 H -15.138 4.356 2.151 1.00 . A A . 46 PRO HD2 1 1 12 11451 1 1 46 PRO HD3 H -15.930 6.028 2.461 1.00 . A A . 46 PRO HD3 1 1 12 11452 1 1 46 PRO HG2 H -13.384 4.800 3.642 1.00 . A A . 46 PRO HG2 1 1 12 11453 1 1 46 PRO HG3 H -14.644 5.830 4.467 1.00 . A A . 46 PRO HG3 1 1 12 11454 1 1 46 PRO N N -14.230 6.048 1.208 1.00 . A A . 46 PRO N 1 1 12 11455 1 1 46 PRO O O -11.825 4.862 0.921 1.00 . A A . 46 PRO O 1 1 12 11456 1 1 47 GLN C C -8.305 6.412 1.826 1.00 . A A . 47 GLN C 1 1 12 11457 1 1 47 GLN CA C -9.408 6.189 0.838 1.00 . A A . 47 GLN CA 1 1 12 11458 1 1 47 GLN CB C -9.092 6.995 -0.438 1.00 . A A . 47 GLN CB 1 1 12 11459 1 1 47 GLN CD C -10.054 5.568 -2.307 1.00 . A A . 47 GLN CD 1 1 12 11460 1 1 47 GLN CG C -10.146 6.894 -1.559 1.00 . A A . 47 GLN CG 1 1 12 11461 1 1 47 GLN H H -10.551 7.605 1.816 1.00 . A A . 47 GLN H 1 1 12 11462 1 1 47 GLN HA H -9.443 5.128 0.662 1.00 . A A . 47 GLN HA 1 1 12 11463 1 1 47 GLN HB2 H -9.018 8.067 -0.160 1.00 . A A . 47 GLN HB2 1 1 12 11464 1 1 47 GLN HB3 H -8.110 6.689 -0.835 1.00 . A A . 47 GLN HB3 1 1 12 11465 1 1 47 GLN HE21 H -11.136 4.618 -0.880 1.00 . A A . 47 GLN HE21 1 1 12 11466 1 1 47 GLN HE22 H -10.503 3.594 -2.148 1.00 . A A . 47 GLN HE22 1 1 12 11467 1 1 47 GLN HG2 H -11.167 7.041 -1.156 1.00 . A A . 47 GLN HG2 1 1 12 11468 1 1 47 GLN HG3 H -9.940 7.700 -2.292 1.00 . A A . 47 GLN HG3 1 1 12 11469 1 1 47 GLN N N -10.626 6.694 1.407 1.00 . A A . 47 GLN N 1 1 12 11470 1 1 47 GLN NE2 N -10.658 4.503 -1.750 1.00 . A A . 47 GLN NE2 1 1 12 11471 1 1 47 GLN O O -8.340 7.381 2.567 1.00 . A A . 47 GLN O 1 1 12 11472 1 1 47 GLN OE1 O -9.434 5.511 -3.371 1.00 . A A . 47 GLN OE1 1 1 12 11473 1 1 48 CYS C C -5.021 4.881 2.235 1.00 . A A . 48 CYS C 1 1 12 11474 1 1 48 CYS CA C -6.246 5.552 2.811 1.00 . A A . 48 CYS CA 1 1 12 11475 1 1 48 CYS CB C -6.616 4.694 4.051 1.00 . A A . 48 CYS CB 1 1 12 11476 1 1 48 CYS H H -7.352 4.697 1.305 1.00 . A A . 48 CYS H 1 1 12 11477 1 1 48 CYS HA H -5.982 6.561 3.084 1.00 . A A . 48 CYS HA 1 1 12 11478 1 1 48 CYS HB2 H -6.947 3.688 3.698 1.00 . A A . 48 CYS HB2 1 1 12 11479 1 1 48 CYS HB3 H -5.711 4.556 4.679 1.00 . A A . 48 CYS HB3 1 1 12 11480 1 1 48 CYS N N -7.273 5.558 1.805 1.00 . A A . 48 CYS N 1 1 12 11481 1 1 48 CYS O O -5.075 3.865 1.521 1.00 . A A . 48 CYS O 1 1 12 11482 1 1 48 CYS SG S -7.917 5.364 5.127 1.00 . A A . 48 CYS SG 1 1 12 11483 1 1 49 GLN C C -1.567 5.583 3.122 1.00 . A A . 49 GLN C 1 1 12 11484 1 1 49 GLN CA C -2.564 5.273 2.024 1.00 . A A . 49 GLN CA 1 1 12 11485 1 1 49 GLN CB C -2.251 6.240 0.858 1.00 . A A . 49 GLN CB 1 1 12 11486 1 1 49 GLN CD C -3.876 7.247 -0.799 1.00 . A A . 49 GLN CD 1 1 12 11487 1 1 49 GLN CG C -3.089 5.995 -0.414 1.00 . A A . 49 GLN CG 1 1 12 11488 1 1 49 GLN H H -3.900 6.354 3.115 1.00 . A A . 49 GLN H 1 1 12 11489 1 1 49 GLN HA H -2.457 4.236 1.764 1.00 . A A . 49 GLN HA 1 1 12 11490 1 1 49 GLN HB2 H -2.437 7.272 1.244 1.00 . A A . 49 GLN HB2 1 1 12 11491 1 1 49 GLN HB3 H -1.186 6.161 0.556 1.00 . A A . 49 GLN HB3 1 1 12 11492 1 1 49 GLN HE21 H -2.249 8.026 -1.750 1.00 . A A . 49 GLN HE21 1 1 12 11493 1 1 49 GLN HE22 H -3.710 8.985 -1.806 1.00 . A A . 49 GLN HE22 1 1 12 11494 1 1 49 GLN HG2 H -2.422 5.686 -1.244 1.00 . A A . 49 GLN HG2 1 1 12 11495 1 1 49 GLN HG3 H -3.813 5.174 -0.237 1.00 . A A . 49 GLN HG3 1 1 12 11496 1 1 49 GLN N N -3.878 5.538 2.531 1.00 . A A . 49 GLN N 1 1 12 11497 1 1 49 GLN NE2 N -3.212 8.172 -1.525 1.00 . A A . 49 GLN NE2 1 1 12 11498 1 1 49 GLN O O -1.838 6.328 4.058 1.00 . A A . 49 GLN O 1 1 12 11499 1 1 49 GLN OE1 O -5.047 7.421 -0.454 1.00 . A A . 49 GLN OE1 1 1 12 11500 1 1 50 CYS C C 1.294 6.836 3.221 1.00 . A A . 50 CYS C 1 1 12 11501 1 1 50 CYS CA C 0.767 5.547 3.822 1.00 . A A . 50 CYS CA 1 1 12 11502 1 1 50 CYS CB C 1.938 4.529 3.920 1.00 . A A . 50 CYS CB 1 1 12 11503 1 1 50 CYS H H -0.137 4.450 2.248 1.00 . A A . 50 CYS H 1 1 12 11504 1 1 50 CYS HA H 0.420 5.792 4.821 1.00 . A A . 50 CYS HA 1 1 12 11505 1 1 50 CYS HB2 H 1.544 3.544 4.246 1.00 . A A . 50 CYS HB2 1 1 12 11506 1 1 50 CYS HB3 H 2.388 4.391 2.912 1.00 . A A . 50 CYS HB3 1 1 12 11507 1 1 50 CYS N N -0.336 5.056 3.009 1.00 . A A . 50 CYS N 1 1 12 11508 1 1 50 CYS O O 1.528 6.924 2.019 1.00 . A A . 50 CYS O 1 1 12 11509 1 1 50 CYS SG S 3.230 5.095 5.074 1.00 . A A . 50 CYS SG 1 1 12 11510 1 1 51 TYR C C 3.533 8.887 3.097 1.00 . A A . 51 TYR C 1 1 12 11511 1 1 51 TYR CA C 2.153 9.112 3.714 1.00 . A A . 51 TYR CA 1 1 12 11512 1 1 51 TYR CB C 2.230 10.029 4.967 1.00 . A A . 51 TYR CB 1 1 12 11513 1 1 51 TYR CD1 C 2.681 12.146 3.641 1.00 . A A . 51 TYR CD1 1 1 12 11514 1 1 51 TYR CD2 C 0.924 12.159 5.295 1.00 . A A . 51 TYR CD2 1 1 12 11515 1 1 51 TYR CE1 C 2.388 13.471 3.315 1.00 . A A . 51 TYR CE1 1 1 12 11516 1 1 51 TYR CE2 C 0.633 13.489 4.976 1.00 . A A . 51 TYR CE2 1 1 12 11517 1 1 51 TYR CG C 1.947 11.467 4.626 1.00 . A A . 51 TYR CG 1 1 12 11518 1 1 51 TYR CZ C 1.354 14.141 3.972 1.00 . A A . 51 TYR CZ 1 1 12 11519 1 1 51 TYR H H 1.256 7.755 5.030 1.00 . A A . 51 TYR H 1 1 12 11520 1 1 51 TYR HA H 1.553 9.577 2.951 1.00 . A A . 51 TYR HA 1 1 12 11521 1 1 51 TYR HB2 H 1.461 9.699 5.691 1.00 . A A . 51 TYR HB2 1 1 12 11522 1 1 51 TYR HB3 H 3.200 9.977 5.493 1.00 . A A . 51 TYR HB3 1 1 12 11523 1 1 51 TYR HD1 H 3.481 11.676 3.097 1.00 . A A . 51 TYR HD1 1 1 12 11524 1 1 51 TYR HD2 H 0.331 11.674 6.055 1.00 . A A . 51 TYR HD2 1 1 12 11525 1 1 51 TYR HE1 H 2.977 13.944 2.547 1.00 . A A . 51 TYR HE1 1 1 12 11526 1 1 51 TYR HE2 H -0.155 13.983 5.516 1.00 . A A . 51 TYR HE2 1 1 12 11527 1 1 51 TYR HH H 0.315 15.779 4.177 1.00 . A A . 51 TYR HH 1 1 12 11528 1 1 51 TYR N N 1.472 7.874 4.062 1.00 . A A . 51 TYR N 1 1 12 11529 1 1 51 TYR O O 3.882 9.377 2.023 1.00 . A A . 51 TYR O 1 1 12 11530 1 1 51 TYR OH O 1.047 15.465 3.609 1.00 . A A . 51 TYR OH 1 1 12 11531 1 1 52 ASP C C 5.893 6.441 2.818 1.00 . A A . 52 ASP C 1 1 12 11532 1 1 52 ASP CA C 5.719 7.802 3.494 1.00 . A A . 52 ASP CA 1 1 12 11533 1 1 52 ASP CB C 6.575 7.991 4.767 1.00 . A A . 52 ASP CB 1 1 12 11534 1 1 52 ASP CG C 6.211 7.050 5.905 1.00 . A A . 52 ASP CG 1 1 12 11535 1 1 52 ASP H H 4.014 7.753 4.686 1.00 . A A . 52 ASP H 1 1 12 11536 1 1 52 ASP HA H 6.086 8.513 2.775 1.00 . A A . 52 ASP HA 1 1 12 11537 1 1 52 ASP HB2 H 7.654 7.878 4.546 1.00 . A A . 52 ASP HB2 1 1 12 11538 1 1 52 ASP HB3 H 6.401 9.027 5.127 1.00 . A A . 52 ASP HB3 1 1 12 11539 1 1 52 ASP HD2 H 5.145 7.065 7.503 1.00 . A A . 52 ASP HD2 1 1 12 11540 1 1 52 ASP N N 4.352 8.119 3.823 1.00 . A A . 52 ASP N 1 1 12 11541 1 1 52 ASP O O 4.951 5.816 2.334 1.00 . A A . 52 ASP O 1 1 12 11542 1 1 52 ASP OD1 O 6.799 6.026 6.191 1.00 . A A . 52 ASP OD1 1 1 12 11543 1 1 52 ASP OD2 O 5.137 7.491 6.625 1.00 . A A . 52 ASP OD2 1 1 12 11544 1 1 53 THR C C 7.449 3.494 2.778 1.00 . A A . 53 THR C 1 1 12 11545 1 1 53 THR CA C 7.536 4.786 1.991 1.00 . A A . 53 THR CA 1 1 12 11546 1 1 53 THR CB C 8.941 4.918 1.429 1.00 . A A . 53 THR CB 1 1 12 11547 1 1 53 THR CG2 C 8.907 5.972 0.308 1.00 . A A . 53 THR CG2 1 1 12 11548 1 1 53 THR H H 7.918 6.486 3.106 1.00 . A A . 53 THR H 1 1 12 11549 1 1 53 THR HA H 6.864 4.677 1.154 1.00 . A A . 53 THR HA 1 1 12 11550 1 1 53 THR HB H 9.307 3.956 1.001 1.00 . A A . 53 THR HB 1 1 12 11551 1 1 53 THR HG1 H 9.987 4.685 3.066 1.00 . A A . 53 THR HG1 1 1 12 11552 1 1 53 THR HG21 H 8.554 6.952 0.687 1.00 . A A . 53 THR HG21 1 1 12 11553 1 1 53 THR HG22 H 8.237 5.645 -0.514 1.00 . A A . 53 THR HG22 1 1 12 11554 1 1 53 THR HG23 H 9.926 6.117 -0.106 1.00 . A A . 53 THR HG23 1 1 12 11555 1 1 53 THR N N 7.148 5.973 2.731 1.00 . A A . 53 THR N 1 1 12 11556 1 1 53 THR O O 7.411 3.472 4.006 1.00 . A A . 53 THR O 1 1 12 11557 1 1 53 THR OG1 O 9.858 5.390 2.409 1.00 . A A . 53 THR OG1 1 1 12 11558 1 1 54 HIS C C 8.107 0.055 1.787 1.00 . A A . 54 HIS C 1 1 12 11559 1 1 54 HIS CA C 7.432 1.046 2.707 1.00 . A A . 54 HIS CA 1 1 12 11560 1 1 54 HIS CB C 6.035 0.561 3.167 1.00 . A A . 54 HIS CB 1 1 12 11561 1 1 54 HIS CD2 C 6.162 -1.063 5.230 1.00 . A A . 54 HIS CD2 1 1 12 11562 1 1 54 HIS CE1 C 5.463 -2.835 4.162 1.00 . A A . 54 HIS CE1 1 1 12 11563 1 1 54 HIS CG C 5.969 -0.733 3.929 1.00 . A A . 54 HIS CG 1 1 12 11564 1 1 54 HIS H H 7.502 2.322 1.077 1.00 . A A . 54 HIS H 1 1 12 11565 1 1 54 HIS HA H 8.079 1.134 3.559 1.00 . A A . 54 HIS HA 1 1 12 11566 1 1 54 HIS HB2 H 5.620 1.352 3.823 1.00 . A A . 54 HIS HB2 1 1 12 11567 1 1 54 HIS HB3 H 5.382 0.448 2.276 1.00 . A A . 54 HIS HB3 1 1 12 11568 1 1 54 HIS HD1 H 5.258 -1.904 2.329 1.00 . A A . 54 HIS HD1 1 1 12 11569 1 1 54 HIS HD2 H 6.508 -0.466 6.068 1.00 . A A . 54 HIS HD2 1 1 12 11570 1 1 54 HIS HE1 H 5.142 -3.822 3.918 1.00 . A A . 54 HIS HE1 1 1 12 11571 1 1 54 HIS HE2 H 5.890 -2.938 6.188 1.00 . A A . 54 HIS HE2 1 1 12 11572 1 1 54 HIS N N 7.364 2.343 2.072 1.00 . A A . 54 HIS N 1 1 12 11573 1 1 54 HIS ND1 N 5.528 -1.852 3.289 1.00 . A A . 54 HIS ND1 1 1 12 11574 1 1 54 HIS NE2 N 5.842 -2.388 5.352 1.00 . A A . 54 HIS NE2 1 1 12 11575 1 1 54 HIS O O 8.078 0.233 0.575 1.00 . A A . 54 HIS O 1 1 12 11576 1 1 55 LYS C C 9.396 -2.314 0.243 1.00 . A A . 55 LYS C 1 1 12 11577 1 1 55 LYS CA C 9.337 -2.174 1.774 1.00 . A A . 55 LYS CA 1 1 12 11578 1 1 55 LYS CB C 8.761 -3.475 2.396 1.00 . A A . 55 LYS CB 1 1 12 11579 1 1 55 LYS CD C 8.633 -5.167 4.270 1.00 . A A . 55 LYS CD 1 1 12 11580 1 1 55 LYS CE C 8.461 -5.366 5.779 1.00 . A A . 55 LYS CE 1 1 12 11581 1 1 55 LYS CG C 9.072 -3.744 3.875 1.00 . A A . 55 LYS CG 1 1 12 11582 1 1 55 LYS H H 8.687 -1.001 3.373 1.00 . A A . 55 LYS H 1 1 12 11583 1 1 55 LYS HA H 10.379 -2.102 2.054 1.00 . A A . 55 LYS HA 1 1 12 11584 1 1 55 LYS HB2 H 7.656 -3.437 2.317 1.00 . A A . 55 LYS HB2 1 1 12 11585 1 1 55 LYS HB3 H 9.153 -4.361 1.851 1.00 . A A . 55 LYS HB3 1 1 12 11586 1 1 55 LYS HD2 H 7.639 -5.377 3.805 1.00 . A A . 55 LYS HD2 1 1 12 11587 1 1 55 LYS HD3 H 9.359 -5.905 3.862 1.00 . A A . 55 LYS HD3 1 1 12 11588 1 1 55 LYS HE2 H 7.689 -4.667 6.165 1.00 . A A . 55 LYS HE2 1 1 12 11589 1 1 55 LYS HE3 H 8.149 -6.410 5.998 1.00 . A A . 55 LYS HE3 1 1 12 11590 1 1 55 LYS HG2 H 10.160 -3.628 4.076 1.00 . A A . 55 LYS HG2 1 1 12 11591 1 1 55 LYS HG3 H 8.518 -3.022 4.513 1.00 . A A . 55 LYS HG3 1 1 12 11592 1 1 55 LYS HZ1 H 10.044 -4.127 6.295 1.00 . A A . 55 LYS HZ1 1 1 12 11593 1 1 55 LYS HZ2 H 10.453 -5.771 6.203 1.00 . A A . 55 LYS HZ2 1 1 12 11594 1 1 55 LYS HZ3 H 9.565 -5.192 7.529 1.00 . A A . 55 LYS HZ3 1 1 12 11595 1 1 55 LYS N N 8.679 -1.011 2.371 1.00 . A A . 55 LYS N 1 1 12 11596 1 1 55 LYS NZ N 9.721 -5.095 6.504 1.00 . A A . 55 LYS NZ 1 1 12 11597 1 1 55 LYS O O 10.232 -1.696 -0.413 1.00 . A A . 55 LYS O 1 1 12 11598 1 1 56 PHE C C 7.198 -4.001 -2.193 1.00 . A A . 56 PHE C 1 1 12 11599 1 1 56 PHE CA C 8.581 -3.515 -1.762 1.00 . A A . 56 PHE CA 1 1 12 11600 1 1 56 PHE CB C 9.722 -4.541 -2.067 1.00 . A A . 56 PHE CB 1 1 12 11601 1 1 56 PHE CD1 C 10.332 -5.860 0.009 1.00 . A A . 56 PHE CD1 1 1 12 11602 1 1 56 PHE CD2 C 8.986 -6.950 -1.673 1.00 . A A . 56 PHE CD2 1 1 12 11603 1 1 56 PHE CE1 C 10.263 -7.004 0.810 1.00 . A A . 56 PHE CE1 1 1 12 11604 1 1 56 PHE CE2 C 8.926 -8.102 -0.881 1.00 . A A . 56 PHE CE2 1 1 12 11605 1 1 56 PHE CG C 9.667 -5.802 -1.229 1.00 . A A . 56 PHE CG 1 1 12 11606 1 1 56 PHE CZ C 9.549 -8.124 0.372 1.00 . A A . 56 PHE CZ 1 1 12 11607 1 1 56 PHE H H 7.830 -3.629 0.161 1.00 . A A . 56 PHE H 1 1 12 11608 1 1 56 PHE HA H 8.766 -2.619 -2.334 1.00 . A A . 56 PHE HA 1 1 12 11609 1 1 56 PHE HB2 H 9.747 -4.823 -3.138 1.00 . A A . 56 PHE HB2 1 1 12 11610 1 1 56 PHE HB3 H 10.692 -4.039 -1.854 1.00 . A A . 56 PHE HB3 1 1 12 11611 1 1 56 PHE HD1 H 10.892 -5.008 0.365 1.00 . A A . 56 PHE HD1 1 1 12 11612 1 1 56 PHE HD2 H 8.497 -6.967 -2.633 1.00 . A A . 56 PHE HD2 1 1 12 11613 1 1 56 PHE HE1 H 10.768 -7.013 1.765 1.00 . A A . 56 PHE HE1 1 1 12 11614 1 1 56 PHE HE2 H 8.392 -8.967 -1.246 1.00 . A A . 56 PHE HE2 1 1 12 11615 1 1 56 PHE HZ H 9.494 -9.006 0.994 1.00 . A A . 56 PHE HZ 1 1 12 11616 1 1 56 PHE N N 8.532 -3.162 -0.358 1.00 . A A . 56 PHE N 1 1 12 11617 1 1 56 PHE O O 6.210 -3.818 -1.483 1.00 . A A . 56 PHE O 1 1 12 11618 1 1 57 CYS C C 5.494 -6.506 -3.108 1.00 . A A . 57 CYS C 1 1 12 11619 1 1 57 CYS CA C 5.841 -5.226 -3.853 1.00 . A A . 57 CYS CA 1 1 12 11620 1 1 57 CYS CB C 5.955 -5.549 -5.358 1.00 . A A . 57 CYS CB 1 1 12 11621 1 1 57 CYS H H 7.834 -4.726 -4.014 1.00 . A A . 57 CYS H 1 1 12 11622 1 1 57 CYS HA H 5.033 -4.529 -3.696 1.00 . A A . 57 CYS HA 1 1 12 11623 1 1 57 CYS HB2 H 6.746 -6.320 -5.490 1.00 . A A . 57 CYS HB2 1 1 12 11624 1 1 57 CYS HB3 H 4.997 -5.983 -5.722 1.00 . A A . 57 CYS HB3 1 1 12 11625 1 1 57 CYS N N 7.074 -4.628 -3.381 1.00 . A A . 57 CYS N 1 1 12 11626 1 1 57 CYS O O 6.005 -7.589 -3.390 1.00 . A A . 57 CYS O 1 1 12 11627 1 1 57 CYS SG S 6.422 -4.106 -6.361 1.00 . A A . 57 CYS SG 1 1 12 11628 1 1 58 TYR C C 3.159 -8.338 -1.596 1.00 . A A . 58 TYR C 1 1 12 11629 1 1 58 TYR CA C 4.305 -7.435 -1.163 1.00 . A A . 58 TYR CA 1 1 12 11630 1 1 58 TYR CB C 4.017 -6.775 0.224 1.00 . A A . 58 TYR CB 1 1 12 11631 1 1 58 TYR CD1 C 5.815 -8.073 1.446 1.00 . A A . 58 TYR CD1 1 1 12 11632 1 1 58 TYR CD2 C 3.616 -7.943 2.431 1.00 . A A . 58 TYR CD2 1 1 12 11633 1 1 58 TYR CE1 C 6.229 -8.924 2.477 1.00 . A A . 58 TYR CE1 1 1 12 11634 1 1 58 TYR CE2 C 4.027 -8.787 3.465 1.00 . A A . 58 TYR CE2 1 1 12 11635 1 1 58 TYR CG C 4.486 -7.617 1.381 1.00 . A A . 58 TYR CG 1 1 12 11636 1 1 58 TYR CZ C 5.326 -9.302 3.478 1.00 . A A . 58 TYR CZ 1 1 12 11637 1 1 58 TYR H H 4.236 -5.480 -1.938 1.00 . A A . 58 TYR H 1 1 12 11638 1 1 58 TYR HA H 5.159 -8.093 -1.094 1.00 . A A . 58 TYR HA 1 1 12 11639 1 1 58 TYR HB2 H 4.579 -5.829 0.313 1.00 . A A . 58 TYR HB2 1 1 12 11640 1 1 58 TYR HB3 H 2.941 -6.531 0.327 1.00 . A A . 58 TYR HB3 1 1 12 11641 1 1 58 TYR HD1 H 6.539 -7.782 0.702 1.00 . A A . 58 TYR HD1 1 1 12 11642 1 1 58 TYR HD2 H 2.618 -7.538 2.489 1.00 . A A . 58 TYR HD2 1 1 12 11643 1 1 58 TYR HE1 H 7.250 -9.271 2.481 1.00 . A A . 58 TYR HE1 1 1 12 11644 1 1 58 TYR HE2 H 3.318 -9.001 4.246 1.00 . A A . 58 TYR HE2 1 1 12 11645 1 1 58 TYR HH H 6.526 -10.658 4.177 1.00 . A A . 58 TYR HH 1 1 12 11646 1 1 58 TYR N N 4.609 -6.384 -2.112 1.00 . A A . 58 TYR N 1 1 12 11647 1 1 58 TYR O O 2.752 -8.377 -2.756 1.00 . A A . 58 TYR O 1 1 12 11648 1 1 58 TYR OH O 5.721 -10.199 4.490 1.00 . A A . 58 TYR OH 1 1 12 11649 1 1 59 LYS C C 0.260 -9.399 -1.350 1.00 . A A . 59 LYS C 1 1 12 11650 1 1 59 LYS CA C 1.503 -10.005 -0.729 1.00 . A A . 59 LYS CA 1 1 12 11651 1 1 59 LYS CB C 1.116 -10.573 0.653 1.00 . A A . 59 LYS CB 1 1 12 11652 1 1 59 LYS CD C 1.817 -11.943 2.696 1.00 . A A . 59 LYS CD 1 1 12 11653 1 1 59 LYS CE C 3.003 -12.653 3.351 1.00 . A A . 59 LYS CE 1 1 12 11654 1 1 59 LYS CG C 2.205 -11.440 1.299 1.00 . A A . 59 LYS CG 1 1 12 11655 1 1 59 LYS H H 3.031 -9.029 0.269 1.00 . A A . 59 LYS H 1 1 12 11656 1 1 59 LYS HA H 1.799 -10.820 -1.371 1.00 . A A . 59 LYS HA 1 1 12 11657 1 1 59 LYS HB2 H 0.874 -9.727 1.333 1.00 . A A . 59 LYS HB2 1 1 12 11658 1 1 59 LYS HB3 H 0.200 -11.198 0.536 1.00 . A A . 59 LYS HB3 1 1 12 11659 1 1 59 LYS HD2 H 1.507 -11.079 3.328 1.00 . A A . 59 LYS HD2 1 1 12 11660 1 1 59 LYS HD3 H 0.952 -12.638 2.609 1.00 . A A . 59 LYS HD3 1 1 12 11661 1 1 59 LYS HE2 H 3.327 -13.486 2.696 1.00 . A A . 59 LYS HE2 1 1 12 11662 1 1 59 LYS HE3 H 3.853 -11.951 3.489 1.00 . A A . 59 LYS HE3 1 1 12 11663 1 1 59 LYS HG2 H 2.422 -12.315 0.645 1.00 . A A . 59 LYS HG2 1 1 12 11664 1 1 59 LYS HG3 H 3.155 -10.873 1.410 1.00 . A A . 59 LYS HG3 1 1 12 11665 1 1 59 LYS HZ1 H 3.481 -13.712 5.061 1.00 . A A . 59 LYS HZ1 1 1 12 11666 1 1 59 LYS HZ2 H 1.868 -13.897 4.559 1.00 . A A . 59 LYS HZ2 1 1 12 11667 1 1 59 LYS HZ3 H 2.354 -12.461 5.316 1.00 . A A . 59 LYS HZ3 1 1 12 11668 1 1 59 LYS N N 2.637 -9.111 -0.634 1.00 . A A . 59 LYS N 1 1 12 11669 1 1 59 LYS NZ N 2.651 -13.221 4.669 1.00 . A A . 59 LYS NZ 1 1 12 11670 1 1 59 LYS O O -0.076 -8.232 -1.150 1.00 . A A . 59 LYS O 1 1 12 11671 1 1 60 ALA C C -2.834 -9.468 -1.963 1.00 . A A . 60 ALA C 1 1 12 11672 1 1 60 ALA CA C -1.633 -9.751 -2.844 1.00 . A A . 60 ALA CA 1 1 12 11673 1 1 60 ALA CB C -1.995 -10.779 -3.926 1.00 . A A . 60 ALA CB 1 1 12 11674 1 1 60 ALA H H -0.200 -11.152 -2.274 1.00 . A A . 60 ALA H 1 1 12 11675 1 1 60 ALA HA H -1.376 -8.807 -3.305 1.00 . A A . 60 ALA HA 1 1 12 11676 1 1 60 ALA HB1 H -1.116 -10.924 -4.590 1.00 . A A . 60 ALA HB1 1 1 12 11677 1 1 60 ALA HB2 H -2.856 -10.447 -4.543 1.00 . A A . 60 ALA HB2 1 1 12 11678 1 1 60 ALA HB3 H -2.237 -11.756 -3.453 1.00 . A A . 60 ALA HB3 1 1 12 11679 1 1 60 ALA N N -0.473 -10.204 -2.129 1.00 . A A . 60 ALA N 1 1 12 11680 1 1 60 ALA O O -2.965 -9.956 -0.844 1.00 . A A . 60 ALA O 1 1 12 11681 1 1 61 CYS C C -6.153 -8.373 -2.525 1.00 . A A . 61 CYS C 1 1 12 11682 1 1 61 CYS CA C -4.884 -8.129 -1.743 1.00 . A A . 61 CYS CA 1 1 12 11683 1 1 61 CYS CB C -4.716 -6.610 -1.477 1.00 . A A . 61 CYS CB 1 1 12 11684 1 1 61 CYS H H -3.588 -8.233 -3.371 1.00 . A A . 61 CYS H 1 1 12 11685 1 1 61 CYS HA H -4.981 -8.670 -0.811 1.00 . A A . 61 CYS HA 1 1 12 11686 1 1 61 CYS HB2 H -3.633 -6.453 -1.282 1.00 . A A . 61 CYS HB2 1 1 12 11687 1 1 61 CYS HB3 H -4.956 -6.011 -2.379 1.00 . A A . 61 CYS HB3 1 1 12 11688 1 1 61 CYS N N -3.737 -8.613 -2.471 1.00 . A A . 61 CYS N 1 1 12 11689 1 1 61 CYS O O -6.842 -7.462 -2.967 1.00 . A A . 61 CYS O 1 1 12 11690 1 1 61 CYS SG S -5.669 -6.045 -0.030 1.00 . A A . 61 CYS SG 1 1 12 11691 1 1 62 HIS C C -8.511 -10.904 -2.329 1.00 . A A . 62 HIS C 1 1 12 11692 1 1 62 HIS CA C -7.784 -10.010 -3.313 1.00 . A A . 62 HIS CA 1 1 12 11693 1 1 62 HIS CB C -7.651 -10.745 -4.649 1.00 . A A . 62 HIS CB 1 1 12 11694 1 1 62 HIS CD2 C -6.715 -8.590 -5.807 1.00 . A A . 62 HIS CD2 1 1 12 11695 1 1 62 HIS CE1 C -6.251 -9.523 -7.723 1.00 . A A . 62 HIS CE1 1 1 12 11696 1 1 62 HIS CG C -7.066 -9.899 -5.738 1.00 . A A . 62 HIS CG 1 1 12 11697 1 1 62 HIS H H -5.866 -10.387 -2.508 1.00 . A A . 62 HIS H 1 1 12 11698 1 1 62 HIS HA H -8.406 -9.144 -3.464 1.00 . A A . 62 HIS HA 1 1 12 11699 1 1 62 HIS HB2 H -7.009 -11.642 -4.524 1.00 . A A . 62 HIS HB2 1 1 12 11700 1 1 62 HIS HB3 H -8.646 -11.091 -4.986 1.00 . A A . 62 HIS HB3 1 1 12 11701 1 1 62 HIS HD1 H -6.936 -11.407 -7.211 1.00 . A A . 62 HIS HD1 1 1 12 11702 1 1 62 HIS HD2 H -6.794 -7.782 -5.088 1.00 . A A . 62 HIS HD2 1 1 12 11703 1 1 62 HIS HE1 H -5.928 -9.676 -8.727 1.00 . A A . 62 HIS HE1 1 1 12 11704 1 1 62 HIS HE2 H -5.826 -7.520 -7.394 1.00 . A A . 62 HIS HE2 1 1 12 11705 1 1 62 HIS N N -6.492 -9.643 -2.770 1.00 . A A . 62 HIS N 1 1 12 11706 1 1 62 HIS ND1 N -6.778 -10.453 -6.950 1.00 . A A . 62 HIS ND1 1 1 12 11707 1 1 62 HIS NE2 N -6.195 -8.388 -7.054 1.00 . A A . 62 HIS NE2 1 1 12 11708 1 1 62 HIS O O -8.315 -12.112 -2.302 1.00 . A A . 62 HIS O 1 1 12 11709 1 1 63 ASN C C -11.211 -11.950 -0.995 1.00 . A A . 63 ASN C 1 1 12 11710 1 1 63 ASN CA C -10.155 -10.986 -0.469 1.00 . A A . 63 ASN CA 1 1 12 11711 1 1 63 ASN CB C -10.744 -9.985 0.567 1.00 . A A . 63 ASN CB 1 1 12 11712 1 1 63 ASN CG C -11.192 -8.670 -0.068 1.00 . A A . 63 ASN CG 1 1 12 11713 1 1 63 ASN H H -9.463 -9.326 -1.451 1.00 . A A . 63 ASN H 1 1 12 11714 1 1 63 ASN HA H -9.475 -11.603 0.085 1.00 . A A . 63 ASN HA 1 1 12 11715 1 1 63 ASN HB2 H -11.602 -10.431 1.107 1.00 . A A . 63 ASN HB2 1 1 12 11716 1 1 63 ASN HB3 H -9.977 -9.793 1.338 1.00 . A A . 63 ASN HB3 1 1 12 11717 1 1 63 ASN HD21 H -9.438 -7.681 0.387 1.00 . A A . 63 ASN HD21 1 1 12 11718 1 1 63 ASN HD22 H -10.672 -6.731 -0.353 1.00 . A A . 63 ASN HD22 1 1 12 11719 1 1 63 ASN N N -9.353 -10.312 -1.466 1.00 . A A . 63 ASN N 1 1 12 11720 1 1 63 ASN ND2 N -10.345 -7.614 -0.032 1.00 . A A . 63 ASN ND2 1 1 12 11721 1 1 63 ASN O O -11.009 -13.162 -1.084 1.00 . A A . 63 ASN O 1 1 12 11722 1 1 63 ASN OD1 O -12.284 -8.613 -0.635 1.00 . A A . 63 ASN OD1 1 1 12 11723 1 1 64 SER C C -13.647 -12.509 -3.150 1.00 . A A . 64 SER C 1 1 12 11724 1 1 64 SER CA C -13.570 -12.189 -1.660 1.00 . A A . 64 SER CA 1 1 12 11725 1 1 64 SER CB C -14.873 -11.513 -1.147 1.00 . A A . 64 SER CB 1 1 12 11726 1 1 64 SER H H -12.498 -10.412 -1.217 1.00 . A A . 64 SER H 1 1 12 11727 1 1 64 SER HA H -13.499 -13.143 -1.156 1.00 . A A . 64 SER HA 1 1 12 11728 1 1 64 SER HB2 H -15.680 -12.272 -1.050 1.00 . A A . 64 SER HB2 1 1 12 11729 1 1 64 SER HB3 H -14.663 -11.094 -0.131 1.00 . A A . 64 SER HB3 1 1 12 11730 1 1 64 SER HG H -15.893 -9.871 -1.524 1.00 . A A . 64 SER HG 1 1 12 11731 1 1 64 SER N N -12.397 -11.407 -1.307 1.00 . A A . 64 SER N 1 1 12 11732 1 1 64 SER O O -12.722 -12.252 -3.921 1.00 . A A . 64 SER O 1 1 12 11733 1 1 64 SER OG O -15.299 -10.469 -2.019 1.00 . A A . 64 SER OG 1 1 12 11734 1 1 65 GLU C C -15.035 -12.441 -6.028 1.00 . A A . 65 GLU C 1 1 12 11735 1 1 65 GLU CA C -15.090 -13.508 -4.945 1.00 . A A . 65 GLU CA 1 1 12 11736 1 1 65 GLU CB C -16.402 -14.320 -5.030 1.00 . A A . 65 GLU CB 1 1 12 11737 1 1 65 GLU CD C -17.966 -13.131 -3.368 1.00 . A A . 65 GLU CD 1 1 12 11738 1 1 65 GLU CG C -17.734 -13.562 -4.808 1.00 . A A . 65 GLU CG 1 1 12 11739 1 1 65 GLU H H -15.517 -13.268 -2.936 1.00 . A A . 65 GLU H 1 1 12 11740 1 1 65 GLU HA H -14.293 -14.181 -5.214 1.00 . A A . 65 GLU HA 1 1 12 11741 1 1 65 GLU HB2 H -16.449 -14.772 -6.044 1.00 . A A . 65 GLU HB2 1 1 12 11742 1 1 65 GLU HB3 H -16.337 -15.162 -4.315 1.00 . A A . 65 GLU HB3 1 1 12 11743 1 1 65 GLU HE2 H -18.808 -11.714 -2.383 1.00 . A A . 65 GLU HE2 1 1 12 11744 1 1 65 GLU HG2 H -17.781 -12.673 -5.462 1.00 . A A . 65 GLU HG2 1 1 12 11745 1 1 65 GLU HG3 H -18.578 -14.229 -5.092 1.00 . A A . 65 GLU HG3 1 1 12 11746 1 1 65 GLU N N -14.778 -13.108 -3.584 1.00 . A A . 65 GLU N 1 1 12 11747 1 1 65 GLU O O -14.892 -12.739 -7.213 1.00 . A A . 65 GLU O 1 1 12 11748 1 1 65 GLU OE1 O -17.467 -13.637 -2.376 1.00 . A A . 65 GLU OE1 1 1 12 11749 1 1 65 GLU OE2 O -18.817 -12.075 -3.284 1.00 . A A . 65 GLU OE2 1 1 12 11750 1 1 66 ILE C C -14.510 -8.872 -5.570 1.00 . A A . 66 ILE C 1 1 12 11751 1 1 66 ILE CA C -14.955 -10.001 -6.465 1.00 . A A . 66 ILE CA 1 1 12 11752 1 1 66 ILE CB C -16.196 -9.538 -7.237 1.00 . A A . 66 ILE CB 1 1 12 11753 1 1 66 ILE CD1 C -17.794 -9.222 -5.198 1.00 . A A . 66 ILE CD1 1 1 12 11754 1 1 66 ILE CG1 C -17.550 -9.871 -6.565 1.00 . A A . 66 ILE CG1 1 1 12 11755 1 1 66 ILE CG2 C -16.113 -10.121 -8.662 1.00 . A A . 66 ILE CG2 1 1 12 11756 1 1 66 ILE H H -15.211 -11.000 -4.649 1.00 . A A . 66 ILE H 1 1 12 11757 1 1 66 ILE HA H -14.143 -10.176 -7.151 1.00 . A A . 66 ILE HA 1 1 12 11758 1 1 66 ILE HB H -16.171 -8.428 -7.360 1.00 . A A . 66 ILE HB 1 1 12 11759 1 1 66 ILE HD11 H -18.839 -9.403 -4.867 1.00 . A A . 66 ILE HD11 1 1 12 11760 1 1 66 ILE HD12 H -17.629 -8.125 -5.255 1.00 . A A . 66 ILE HD12 1 1 12 11761 1 1 66 ILE HD13 H -17.115 -9.639 -4.425 1.00 . A A . 66 ILE HD13 1 1 12 11762 1 1 66 ILE HG12 H -18.361 -9.523 -7.245 1.00 . A A . 66 ILE HG12 1 1 12 11763 1 1 66 ILE HG13 H -17.646 -10.971 -6.478 1.00 . A A . 66 ILE HG13 1 1 12 11764 1 1 66 ILE HG21 H -15.140 -9.865 -9.131 1.00 . A A . 66 ILE HG21 1 1 12 11765 1 1 66 ILE HG22 H -16.916 -9.700 -9.304 1.00 . A A . 66 ILE HG22 1 1 12 11766 1 1 66 ILE HG23 H -16.203 -11.227 -8.639 1.00 . A A . 66 ILE HG23 1 1 12 11767 1 1 66 ILE N N -15.084 -11.169 -5.623 1.00 . A A . 66 ILE N 1 1 12 11768 1 1 66 ILE O O -14.679 -8.892 -4.359 1.00 . A A . 66 ILE O 1 1 12 11769 1 1 67 GLU C C -13.645 -5.639 -6.909 1.00 . A A . 67 GLU C 1 1 12 11770 1 1 67 GLU CA C -13.679 -6.522 -5.638 1.00 . A A . 67 GLU CA 1 1 12 11771 1 1 67 GLU CB C -12.355 -6.370 -4.842 1.00 . A A . 67 GLU CB 1 1 12 11772 1 1 67 GLU CD C -10.639 -8.251 -5.538 1.00 . A A . 67 GLU CD 1 1 12 11773 1 1 67 GLU CG C -11.070 -6.781 -5.603 1.00 . A A . 67 GLU CG 1 1 12 11774 1 1 67 GLU H H -13.823 -7.715 -7.192 1.00 . A A . 67 GLU H 1 1 12 11775 1 1 67 GLU HA H -14.524 -6.207 -5.042 1.00 . A A . 67 GLU HA 1 1 12 11776 1 1 67 GLU HB2 H -12.255 -5.279 -4.613 1.00 . A A . 67 GLU HB2 1 1 12 11777 1 1 67 GLU HB3 H -12.433 -6.869 -3.853 1.00 . A A . 67 GLU HB3 1 1 12 11778 1 1 67 GLU HE2 H -12.268 -8.636 -4.481 1.00 . A A . 67 GLU HE2 1 1 12 11779 1 1 67 GLU HG2 H -11.170 -6.492 -6.670 1.00 . A A . 67 GLU HG2 1 1 12 11780 1 1 67 GLU HG3 H -10.220 -6.186 -5.198 1.00 . A A . 67 GLU HG3 1 1 12 11781 1 1 67 GLU N N -13.941 -7.821 -6.189 1.00 . A A . 67 GLU N 1 1 12 11782 1 1 67 GLU O O -13.558 -4.393 -6.777 1.00 . A A . 67 GLU O 1 1 12 11783 1 1 67 GLU OXT O -13.704 -6.228 -8.032 1.00 . A A . 67 GLU OXT 1 1 12 11784 1 1 67 GLU OE1 O -9.657 -8.720 -6.077 1.00 . A A . 67 GLU OE1 1 1 12 11785 1 1 67 GLU OE2 O -11.437 -9.049 -4.734 1.00 . A A . 67 GLU OE2 1 1 12 11786 2 2 1 CL CL CL 5.211 -15.688 2.867 1.00 . B A . 68 CL CL 1 1 12 11787 3 2 1 CL CL CL 1.463 -2.369 15.336 1.00 . C A . 69 CL CL 1 1 12 11788 4 2 1 CL CL CL -8.931 1.915 8.772 1.00 . D A . 70 CL CL 1 1 12 11789 5 2 1 CL CL CL -2.525 -3.420 11.520 1.00 . E A . 71 CL CL 1 1 12 11790 6 2 1 CL CL CL 3.387 15.765 8.917 1.00 . F A . 72 CL CL 1 1 12 11791 7 2 1 CL CL CL 4.606 -5.790 5.454 1.00 . G A . 73 CL CL 1 1 12 11792 8 2 1 CL CL CL -7.798 -5.353 -7.109 1.00 . H A . 74 CL CL 1 1 12 11793 9 2 1 CL CL CL 12.548 5.209 -10.848 1.00 . I A . 75 CL CL 1 1 12 11794 10 2 1 CL CL CL 9.213 -0.274 5.673 1.00 . J A . 76 CL CL 1 1 12 11795 11 2 1 CL CL CL 7.197 11.737 6.406 1.00 . K A . 77 CL CL 1 1 12 11796 12 2 1 CL CL CL -4.295 -6.029 5.760 1.00 . L A . 78 CL CL 1 1 13 11797 1 1 1 GLY C C 2.863 -12.289 9.915 1.00 . A A . 1 GLY C 1 1 13 11798 1 1 1 GLY CA C 2.917 -11.021 10.702 1.00 . A A . 1 GLY CA 1 1 13 11799 1 1 1 GLY H1 H 2.220 -9.829 9.145 1.00 . A A . 1 GLY H1 1 1 13 11800 1 1 1 GLY H2 H 2.026 -9.143 10.682 1.00 . A A . 1 GLY H2 1 1 13 11801 1 1 1 GLY H3 H 1.001 -10.398 10.184 1.00 . A A . 1 GLY H3 1 1 13 11802 1 1 1 GLY HA2 H 3.908 -10.596 10.610 1.00 . A A . 1 GLY HA2 1 1 13 11803 1 1 1 GLY HA3 H 2.606 -11.216 11.719 1.00 . A A . 1 GLY HA3 1 1 13 11804 1 1 1 GLY N N 1.972 -10.027 10.135 1.00 . A A . 1 GLY N 1 1 13 11805 1 1 1 GLY O O 3.275 -12.334 8.757 1.00 . A A . 1 GLY O 1 1 13 11806 1 1 2 ASP C C 1.043 -15.435 10.538 1.00 . A A . 2 ASP C 1 1 13 11807 1 1 2 ASP CA C 2.166 -14.657 9.864 1.00 . A A . 2 ASP CA 1 1 13 11808 1 1 2 ASP CB C 3.442 -15.535 9.994 1.00 . A A . 2 ASP CB 1 1 13 11809 1 1 2 ASP CG C 4.632 -14.974 9.251 1.00 . A A . 2 ASP CG 1 1 13 11810 1 1 2 ASP H H 2.113 -13.328 11.482 1.00 . A A . 2 ASP H 1 1 13 11811 1 1 2 ASP HA H 1.869 -14.535 8.832 1.00 . A A . 2 ASP HA 1 1 13 11812 1 1 2 ASP HB2 H 3.736 -15.634 11.058 1.00 . A A . 2 ASP HB2 1 1 13 11813 1 1 2 ASP HB3 H 3.243 -16.553 9.596 1.00 . A A . 2 ASP HB3 1 1 13 11814 1 1 2 ASP HD2 H 5.492 -15.124 7.558 1.00 . A A . 2 ASP HD2 1 1 13 11815 1 1 2 ASP N N 2.288 -13.355 10.498 1.00 . A A . 2 ASP N 1 1 13 11816 1 1 2 ASP O O 0.898 -16.644 10.386 1.00 . A A . 2 ASP O 1 1 13 11817 1 1 2 ASP OD1 O 5.555 -14.359 9.748 1.00 . A A . 2 ASP OD1 1 1 13 11818 1 1 2 ASP OD2 O 4.609 -15.263 7.914 1.00 . A A . 2 ASP OD2 1 1 13 11819 1 1 3 ASP C C -2.042 -13.996 11.806 1.00 . A A . 3 ASP C 1 1 13 11820 1 1 3 ASP CA C -1.134 -15.191 11.656 1.00 . A A . 3 ASP CA 1 1 13 11821 1 1 3 ASP CB C -1.045 -16.040 12.953 1.00 . A A . 3 ASP CB 1 1 13 11822 1 1 3 ASP CG C -2.375 -16.674 13.342 1.00 . A A . 3 ASP CG 1 1 13 11823 1 1 3 ASP H H 0.294 -13.716 11.275 1.00 . A A . 3 ASP H 1 1 13 11824 1 1 3 ASP HA H -1.544 -15.780 10.848 1.00 . A A . 3 ASP HA 1 1 13 11825 1 1 3 ASP HB2 H -0.310 -16.855 12.790 1.00 . A A . 3 ASP HB2 1 1 13 11826 1 1 3 ASP HB3 H -0.697 -15.424 13.801 1.00 . A A . 3 ASP HB3 1 1 13 11827 1 1 3 ASP HD2 H -3.891 -17.618 12.611 1.00 . A A . 3 ASP HD2 1 1 13 11828 1 1 3 ASP N N 0.151 -14.698 11.219 1.00 . A A . 3 ASP N 1 1 13 11829 1 1 3 ASP O O -3.073 -13.917 11.147 1.00 . A A . 3 ASP O 1 1 13 11830 1 1 3 ASP OD1 O -2.864 -16.654 14.455 1.00 . A A . 3 ASP OD1 1 1 13 11831 1 1 3 ASP OD2 O -3.029 -17.295 12.299 1.00 . A A . 3 ASP OD2 1 1 13 11832 1 1 4 VAL C C -2.180 -11.012 11.326 1.00 . A A . 4 VAL C 1 1 13 11833 1 1 4 VAL CA C -2.317 -11.709 12.667 1.00 . A A . 4 VAL CA 1 1 13 11834 1 1 4 VAL CB C -1.869 -10.817 13.825 1.00 . A A . 4 VAL CB 1 1 13 11835 1 1 4 VAL CG1 C -0.504 -10.148 13.564 1.00 . A A . 4 VAL CG1 1 1 13 11836 1 1 4 VAL CG2 C -2.936 -9.751 14.140 1.00 . A A . 4 VAL CG2 1 1 13 11837 1 1 4 VAL H H -0.844 -13.097 13.212 1.00 . A A . 4 VAL H 1 1 13 11838 1 1 4 VAL HA H -3.367 -11.902 12.822 1.00 . A A . 4 VAL HA 1 1 13 11839 1 1 4 VAL HB H -1.804 -11.464 14.729 1.00 . A A . 4 VAL HB 1 1 13 11840 1 1 4 VAL HG11 H -0.581 -9.388 12.755 1.00 . A A . 4 VAL HG11 1 1 13 11841 1 1 4 VAL HG12 H 0.270 -10.885 13.268 1.00 . A A . 4 VAL HG12 1 1 13 11842 1 1 4 VAL HG13 H -0.154 -9.620 14.477 1.00 . A A . 4 VAL HG13 1 1 13 11843 1 1 4 VAL HG21 H -3.003 -8.989 13.335 1.00 . A A . 4 VAL HG21 1 1 13 11844 1 1 4 VAL HG22 H -2.663 -9.234 15.083 1.00 . A A . 4 VAL HG22 1 1 13 11845 1 1 4 VAL HG23 H -3.930 -10.221 14.292 1.00 . A A . 4 VAL HG23 1 1 13 11846 1 1 4 VAL N N -1.659 -13.007 12.638 1.00 . A A . 4 VAL N 1 1 13 11847 1 1 4 VAL O O -1.167 -11.173 10.640 1.00 . A A . 4 VAL O 1 1 13 11848 1 1 5 LYS C C -2.238 -9.164 8.910 1.00 . A A . 5 LYS C 1 1 13 11849 1 1 5 LYS CA C -3.458 -9.769 9.589 1.00 . A A . 5 LYS CA 1 1 13 11850 1 1 5 LYS CB C -4.639 -8.783 9.544 1.00 . A A . 5 LYS CB 1 1 13 11851 1 1 5 LYS CD C -6.310 -7.495 8.105 1.00 . A A . 5 LYS CD 1 1 13 11852 1 1 5 LYS CE C -5.697 -6.097 7.970 1.00 . A A . 5 LYS CE 1 1 13 11853 1 1 5 LYS CG C -5.258 -8.611 8.145 1.00 . A A . 5 LYS CG 1 1 13 11854 1 1 5 LYS H H -4.057 -10.285 11.474 1.00 . A A . 5 LYS H 1 1 13 11855 1 1 5 LYS HA H -3.728 -10.624 9.001 1.00 . A A . 5 LYS HA 1 1 13 11856 1 1 5 LYS HB2 H -5.451 -9.147 10.211 1.00 . A A . 5 LYS HB2 1 1 13 11857 1 1 5 LYS HB3 H -4.306 -7.795 9.938 1.00 . A A . 5 LYS HB3 1 1 13 11858 1 1 5 LYS HD2 H -6.983 -7.669 7.239 1.00 . A A . 5 LYS HD2 1 1 13 11859 1 1 5 LYS HD3 H -6.927 -7.550 9.032 1.00 . A A . 5 LYS HD3 1 1 13 11860 1 1 5 LYS HE2 H -5.002 -5.883 8.805 1.00 . A A . 5 LYS HE2 1 1 13 11861 1 1 5 LYS HE3 H -5.152 -5.999 7.009 1.00 . A A . 5 LYS HE3 1 1 13 11862 1 1 5 LYS HG2 H -4.464 -8.388 7.401 1.00 . A A . 5 LYS HG2 1 1 13 11863 1 1 5 LYS HG3 H -5.735 -9.574 7.865 1.00 . A A . 5 LYS HG3 1 1 13 11864 1 1 5 LYS HZ1 H -7.439 -5.247 7.223 1.00 . A A . 5 LYS HZ1 1 1 13 11865 1 1 5 LYS HZ2 H -6.341 -4.130 7.878 1.00 . A A . 5 LYS HZ2 1 1 13 11866 1 1 5 LYS HZ3 H -7.260 -5.119 8.904 1.00 . A A . 5 LYS HZ3 1 1 13 11867 1 1 5 LYS N N -3.251 -10.309 10.907 1.00 . A A . 5 LYS N 1 1 13 11868 1 1 5 LYS NZ N -6.761 -5.075 7.992 1.00 . A A . 5 LYS NZ 1 1 13 11869 1 1 5 LYS O O -1.590 -8.231 9.383 1.00 . A A . 5 LYS O 1 1 13 11870 1 1 6 SER C C -1.168 -8.010 6.165 1.00 . A A . 6 SER C 1 1 13 11871 1 1 6 SER CA C -0.915 -9.363 6.812 1.00 . A A . 6 SER CA 1 1 13 11872 1 1 6 SER CB C -0.728 -10.449 5.727 1.00 . A A . 6 SER CB 1 1 13 11873 1 1 6 SER H H -2.414 -10.594 7.503 1.00 . A A . 6 SER H 1 1 13 11874 1 1 6 SER HA H 0.024 -9.260 7.322 1.00 . A A . 6 SER HA 1 1 13 11875 1 1 6 SER HB2 H -0.106 -10.094 4.873 1.00 . A A . 6 SER HB2 1 1 13 11876 1 1 6 SER HB3 H -0.199 -11.313 6.195 1.00 . A A . 6 SER HB3 1 1 13 11877 1 1 6 SER HG H -1.942 -10.959 4.293 1.00 . A A . 6 SER HG 1 1 13 11878 1 1 6 SER N N -1.888 -9.795 7.786 1.00 . A A . 6 SER N 1 1 13 11879 1 1 6 SER O O -2.229 -7.394 6.259 1.00 . A A . 6 SER O 1 1 13 11880 1 1 6 SER OG O -1.993 -10.917 5.255 1.00 . A A . 6 SER OG 1 1 13 11881 1 1 7 ALA C C -0.919 -6.672 3.266 1.00 . A A . 7 ALA C 1 1 13 11882 1 1 7 ALA CA C -0.265 -6.347 4.607 1.00 . A A . 7 ALA CA 1 1 13 11883 1 1 7 ALA CB C 1.157 -5.788 4.371 1.00 . A A . 7 ALA CB 1 1 13 11884 1 1 7 ALA H H 0.750 -7.945 5.478 1.00 . A A . 7 ALA H 1 1 13 11885 1 1 7 ALA HA H -0.888 -5.610 5.095 1.00 . A A . 7 ALA HA 1 1 13 11886 1 1 7 ALA HB1 H 1.150 -4.875 3.744 1.00 . A A . 7 ALA HB1 1 1 13 11887 1 1 7 ALA HB2 H 1.782 -6.563 3.868 1.00 . A A . 7 ALA HB2 1 1 13 11888 1 1 7 ALA HB3 H 1.640 -5.544 5.343 1.00 . A A . 7 ALA HB3 1 1 13 11889 1 1 7 ALA N N -0.148 -7.499 5.464 1.00 . A A . 7 ALA N 1 1 13 11890 1 1 7 ALA O O -0.977 -7.815 2.822 1.00 . A A . 7 ALA O 1 1 13 11891 1 1 8 CYS C C -1.581 -4.458 0.478 1.00 . A A . 8 CYS C 1 1 13 11892 1 1 8 CYS CA C -1.862 -5.760 1.195 1.00 . A A . 8 CYS CA 1 1 13 11893 1 1 8 CYS CB C -3.385 -6.006 1.017 1.00 . A A . 8 CYS CB 1 1 13 11894 1 1 8 CYS H H -1.465 -4.741 2.979 1.00 . A A . 8 CYS H 1 1 13 11895 1 1 8 CYS HA H -1.325 -6.546 0.691 1.00 . A A . 8 CYS HA 1 1 13 11896 1 1 8 CYS HB2 H -3.959 -5.121 1.358 1.00 . A A . 8 CYS HB2 1 1 13 11897 1 1 8 CYS HB3 H -3.571 -6.122 -0.072 1.00 . A A . 8 CYS HB3 1 1 13 11898 1 1 8 CYS N N -1.426 -5.641 2.573 1.00 . A A . 8 CYS N 1 1 13 11899 1 1 8 CYS O O -1.860 -3.382 1.002 1.00 . A A . 8 CYS O 1 1 13 11900 1 1 8 CYS SG S -4.057 -7.470 1.858 1.00 . A A . 8 CYS SG 1 1 13 11901 1 1 9 CYS C C -1.416 -3.729 -2.999 1.00 . A A . 9 CYS C 1 1 13 11902 1 1 9 CYS CA C -0.970 -3.340 -1.607 1.00 . A A . 9 CYS CA 1 1 13 11903 1 1 9 CYS CB C 0.477 -2.806 -1.680 1.00 . A A . 9 CYS CB 1 1 13 11904 1 1 9 CYS H H -0.740 -5.369 -1.179 1.00 . A A . 9 CYS H 1 1 13 11905 1 1 9 CYS HA H -1.642 -2.562 -1.263 1.00 . A A . 9 CYS HA 1 1 13 11906 1 1 9 CYS HB2 H 1.168 -3.686 -1.667 1.00 . A A . 9 CYS HB2 1 1 13 11907 1 1 9 CYS HB3 H 0.649 -2.250 -2.627 1.00 . A A . 9 CYS HB3 1 1 13 11908 1 1 9 CYS N N -1.071 -4.515 -0.765 1.00 . A A . 9 CYS N 1 1 13 11909 1 1 9 CYS O O -0.965 -4.714 -3.566 1.00 . A A . 9 CYS O 1 1 13 11910 1 1 9 CYS SG S 0.875 -1.711 -0.285 1.00 . A A . 9 CYS SG 1 1 13 11911 1 1 10 ASP C C -1.958 -2.931 -6.072 1.00 . A A . 10 ASP C 1 1 13 11912 1 1 10 ASP CA C -2.842 -3.398 -4.927 1.00 . A A . 10 ASP CA 1 1 13 11913 1 1 10 ASP CB C -4.281 -2.906 -5.141 1.00 . A A . 10 ASP CB 1 1 13 11914 1 1 10 ASP CG C -5.107 -3.961 -5.847 1.00 . A A . 10 ASP CG 1 1 13 11915 1 1 10 ASP H H -2.808 -2.205 -3.206 1.00 . A A . 10 ASP H 1 1 13 11916 1 1 10 ASP HA H -2.837 -4.479 -4.944 1.00 . A A . 10 ASP HA 1 1 13 11917 1 1 10 ASP HB2 H -4.748 -2.735 -4.157 1.00 . A A . 10 ASP HB2 1 1 13 11918 1 1 10 ASP HB3 H -4.321 -1.933 -5.653 1.00 . A A . 10 ASP HB3 1 1 13 11919 1 1 10 ASP HD2 H -3.930 -3.689 -7.410 1.00 . A A . 10 ASP HD2 1 1 13 11920 1 1 10 ASP N N -2.345 -2.981 -3.627 1.00 . A A . 10 ASP N 1 1 13 11921 1 1 10 ASP O O -2.084 -3.410 -7.197 1.00 . A A . 10 ASP O 1 1 13 11922 1 1 10 ASP OD1 O -5.934 -4.678 -5.319 1.00 . A A . 10 ASP OD1 1 1 13 11923 1 1 10 ASP OD2 O -4.744 -4.152 -7.168 1.00 . A A . 10 ASP OD2 1 1 13 11924 1 1 11 THR C C 1.007 -0.851 -5.955 1.00 . A A . 11 THR C 1 1 13 11925 1 1 11 THR CA C -0.110 -1.459 -6.761 1.00 . A A . 11 THR CA 1 1 13 11926 1 1 11 THR CB C -0.650 -0.331 -7.642 1.00 . A A . 11 THR CB 1 1 13 11927 1 1 11 THR CG2 C 0.268 -0.063 -8.835 1.00 . A A . 11 THR CG2 1 1 13 11928 1 1 11 THR H H -1.040 -1.573 -4.896 1.00 . A A . 11 THR H 1 1 13 11929 1 1 11 THR HA H 0.291 -2.269 -7.341 1.00 . A A . 11 THR HA 1 1 13 11930 1 1 11 THR HB H -0.735 0.596 -7.029 1.00 . A A . 11 THR HB 1 1 13 11931 1 1 11 THR HG1 H -1.795 -1.330 -8.812 1.00 . A A . 11 THR HG1 1 1 13 11932 1 1 11 THR HG21 H -0.189 0.684 -9.512 1.00 . A A . 11 THR HG21 1 1 13 11933 1 1 11 THR HG22 H 0.449 -0.987 -9.422 1.00 . A A . 11 THR HG22 1 1 13 11934 1 1 11 THR HG23 H 1.240 0.355 -8.507 1.00 . A A . 11 THR HG23 1 1 13 11935 1 1 11 THR N N -1.051 -1.987 -5.797 1.00 . A A . 11 THR N 1 1 13 11936 1 1 11 THR O O 0.773 -0.224 -4.917 1.00 . A A . 11 THR O 1 1 13 11937 1 1 11 THR OG1 O -1.941 -0.611 -8.179 1.00 . A A . 11 THR OG1 1 1 13 11938 1 1 12 CYS C C 4.582 -0.336 -6.608 1.00 . A A . 12 CYS C 1 1 13 11939 1 1 12 CYS CA C 3.418 -0.582 -5.694 1.00 . A A . 12 CYS CA 1 1 13 11940 1 1 12 CYS CB C 3.781 -1.633 -4.621 1.00 . A A . 12 CYS CB 1 1 13 11941 1 1 12 CYS H H 2.450 -1.613 -7.171 1.00 . A A . 12 CYS H 1 1 13 11942 1 1 12 CYS HA H 3.237 0.368 -5.237 1.00 . A A . 12 CYS HA 1 1 13 11943 1 1 12 CYS HB2 H 4.647 -1.289 -4.015 1.00 . A A . 12 CYS HB2 1 1 13 11944 1 1 12 CYS HB3 H 2.883 -1.713 -3.964 1.00 . A A . 12 CYS HB3 1 1 13 11945 1 1 12 CYS N N 2.252 -0.989 -6.423 1.00 . A A . 12 CYS N 1 1 13 11946 1 1 12 CYS O O 4.556 -0.643 -7.799 1.00 . A A . 12 CYS O 1 1 13 11947 1 1 12 CYS SG S 4.102 -3.303 -5.272 1.00 . A A . 12 CYS SG 1 1 13 11948 1 1 13 LEU C C 7.799 1.124 -5.978 1.00 . A A . 13 LEU C 1 1 13 11949 1 1 13 LEU CA C 6.555 1.063 -6.824 1.00 . A A . 13 LEU CA 1 1 13 11950 1 1 13 LEU CB C 5.962 2.462 -7.080 1.00 . A A . 13 LEU CB 1 1 13 11951 1 1 13 LEU CD1 C 5.812 4.569 -8.395 1.00 . A A . 13 LEU CD1 1 1 13 11952 1 1 13 LEU CD2 C 8.006 4.007 -7.373 1.00 . A A . 13 LEU CD2 1 1 13 11953 1 1 13 LEU CG C 6.741 3.417 -8.002 1.00 . A A . 13 LEU CG 1 1 13 11954 1 1 13 LEU H H 5.546 0.617 -5.087 1.00 . A A . 13 LEU H 1 1 13 11955 1 1 13 LEU HA H 6.786 0.552 -7.746 1.00 . A A . 13 LEU HA 1 1 13 11956 1 1 13 LEU HB2 H 4.990 2.274 -7.584 1.00 . A A . 13 LEU HB2 1 1 13 11957 1 1 13 LEU HB3 H 5.724 2.958 -6.112 1.00 . A A . 13 LEU HB3 1 1 13 11958 1 1 13 LEU HD11 H 5.548 5.170 -7.499 1.00 . A A . 13 LEU HD11 1 1 13 11959 1 1 13 LEU HD12 H 4.877 4.175 -8.846 1.00 . A A . 13 LEU HD12 1 1 13 11960 1 1 13 LEU HD13 H 6.310 5.232 -9.130 1.00 . A A . 13 LEU HD13 1 1 13 11961 1 1 13 LEU HD21 H 7.778 4.430 -6.371 1.00 . A A . 13 LEU HD21 1 1 13 11962 1 1 13 LEU HD22 H 8.396 4.818 -8.021 1.00 . A A . 13 LEU HD22 1 1 13 11963 1 1 13 LEU HD23 H 8.802 3.242 -7.267 1.00 . A A . 13 LEU HD23 1 1 13 11964 1 1 13 LEU HG H 7.023 2.872 -8.933 1.00 . A A . 13 LEU HG 1 1 13 11965 1 1 13 LEU N N 5.598 0.327 -6.052 1.00 . A A . 13 LEU N 1 1 13 11966 1 1 13 LEU O O 7.871 1.768 -4.928 1.00 . A A . 13 LEU O 1 1 13 11967 1 1 14 CYS C C 11.040 1.291 -6.606 1.00 . A A . 14 CYS C 1 1 13 11968 1 1 14 CYS CA C 10.123 0.365 -5.841 1.00 . A A . 14 CYS CA 1 1 13 11969 1 1 14 CYS CB C 10.734 -1.042 -5.672 1.00 . A A . 14 CYS CB 1 1 13 11970 1 1 14 CYS H H 8.679 -0.231 -7.208 1.00 . A A . 14 CYS H 1 1 13 11971 1 1 14 CYS HA H 10.077 0.800 -4.868 1.00 . A A . 14 CYS HA 1 1 13 11972 1 1 14 CYS HB2 H 10.832 -1.503 -6.674 1.00 . A A . 14 CYS HB2 1 1 13 11973 1 1 14 CYS HB3 H 11.763 -0.943 -5.276 1.00 . A A . 14 CYS HB3 1 1 13 11974 1 1 14 CYS N N 8.801 0.346 -6.399 1.00 . A A . 14 CYS N 1 1 13 11975 1 1 14 CYS O O 10.984 1.397 -7.829 1.00 . A A . 14 CYS O 1 1 13 11976 1 1 14 CYS SG S 9.780 -2.171 -4.586 1.00 . A A . 14 CYS SG 1 1 13 11977 1 1 15 THR C C 14.032 2.423 -7.190 1.00 . A A . 15 THR C 1 1 13 11978 1 1 15 THR CA C 12.796 2.990 -6.517 1.00 . A A . 15 THR CA 1 1 13 11979 1 1 15 THR CB C 13.307 4.064 -5.568 1.00 . A A . 15 THR CB 1 1 13 11980 1 1 15 THR CG2 C 12.112 4.877 -5.049 1.00 . A A . 15 THR CG2 1 1 13 11981 1 1 15 THR H H 11.951 1.958 -4.893 1.00 . A A . 15 THR H 1 1 13 11982 1 1 15 THR HA H 12.230 3.514 -7.272 1.00 . A A . 15 THR HA 1 1 13 11983 1 1 15 THR HB H 13.994 4.759 -6.117 1.00 . A A . 15 THR HB 1 1 13 11984 1 1 15 THR HG1 H 14.924 3.750 -4.540 1.00 . A A . 15 THR HG1 1 1 13 11985 1 1 15 THR HG21 H 11.533 5.293 -5.900 1.00 . A A . 15 THR HG21 1 1 13 11986 1 1 15 THR HG22 H 12.474 5.715 -4.416 1.00 . A A . 15 THR HG22 1 1 13 11987 1 1 15 THR HG23 H 11.434 4.242 -4.443 1.00 . A A . 15 THR HG23 1 1 13 11988 1 1 15 THR N N 11.921 2.006 -5.898 1.00 . A A . 15 THR N 1 1 13 11989 1 1 15 THR O O 14.687 1.495 -6.723 1.00 . A A . 15 THR O 1 1 13 11990 1 1 15 THR OG1 O 13.981 3.508 -4.435 1.00 . A A . 15 THR OG1 1 1 13 11991 1 1 16 ARG C C 16.593 4.028 -8.240 1.00 . A A . 16 ARG C 1 1 13 11992 1 1 16 ARG CA C 15.708 2.997 -8.921 1.00 . A A . 16 ARG CA 1 1 13 11993 1 1 16 ARG CB C 15.668 3.214 -10.444 1.00 . A A . 16 ARG CB 1 1 13 11994 1 1 16 ARG CD C 15.964 0.786 -11.286 1.00 . A A . 16 ARG CD 1 1 13 11995 1 1 16 ARG CG C 15.047 2.012 -11.172 1.00 . A A . 16 ARG CG 1 1 13 11996 1 1 16 ARG CZ C 16.661 0.971 -13.694 1.00 . A A . 16 ARG CZ 1 1 13 11997 1 1 16 ARG H H 13.838 3.793 -8.662 1.00 . A A . 16 ARG H 1 1 13 11998 1 1 16 ARG HA H 16.129 2.023 -8.733 1.00 . A A . 16 ARG HA 1 1 13 11999 1 1 16 ARG HB2 H 15.069 4.124 -10.660 1.00 . A A . 16 ARG HB2 1 1 13 12000 1 1 16 ARG HB3 H 16.685 3.386 -10.851 1.00 . A A . 16 ARG HB3 1 1 13 12001 1 1 16 ARG HD2 H 16.516 0.606 -10.341 1.00 . A A . 16 ARG HD2 1 1 13 12002 1 1 16 ARG HD3 H 15.389 -0.130 -11.531 1.00 . A A . 16 ARG HD3 1 1 13 12003 1 1 16 ARG HE H 17.881 1.356 -12.101 1.00 . A A . 16 ARG HE 1 1 13 12004 1 1 16 ARG HG2 H 14.142 1.706 -10.614 1.00 . A A . 16 ARG HG2 1 1 13 12005 1 1 16 ARG HG3 H 14.712 2.327 -12.182 1.00 . A A . 16 ARG HG3 1 1 13 12006 1 1 16 ARG HH11 H 14.744 0.240 -13.484 1.00 . A A . 16 ARG HH11 1 1 13 12007 1 1 16 ARG HH12 H 15.267 0.480 -15.117 1.00 . A A . 16 ARG HH12 1 1 13 12008 1 1 16 ARG HH21 H 18.488 1.673 -14.306 1.00 . A A . 16 ARG HH21 1 1 13 12009 1 1 16 ARG HH22 H 17.377 1.286 -15.586 1.00 . A A . 16 ARG HH22 1 1 13 12010 1 1 16 ARG N N 14.395 3.033 -8.329 1.00 . A A . 16 ARG N 1 1 13 12011 1 1 16 ARG NE N 16.967 1.044 -12.366 1.00 . A A . 16 ARG NE 1 1 13 12012 1 1 16 ARG NH1 N 15.447 0.528 -14.131 1.00 . A A . 16 ARG NH1 1 1 13 12013 1 1 16 ARG NH2 N 17.590 1.359 -14.611 1.00 . A A . 16 ARG NH2 1 1 13 12014 1 1 16 ARG O O 16.492 5.232 -8.463 1.00 . A A . 16 ARG O 1 1 13 12015 1 1 17 SER C C 19.134 3.542 -5.692 1.00 . A A . 17 SER C 1 1 13 12016 1 1 17 SER CA C 18.167 4.432 -6.419 1.00 . A A . 17 SER CA 1 1 13 12017 1 1 17 SER CB C 17.206 5.073 -5.361 1.00 . A A . 17 SER CB 1 1 13 12018 1 1 17 SER H H 17.621 2.603 -7.206 1.00 . A A . 17 SER H 1 1 13 12019 1 1 17 SER HA H 18.729 5.177 -6.952 1.00 . A A . 17 SER HA 1 1 13 12020 1 1 17 SER HB2 H 17.736 5.835 -4.757 1.00 . A A . 17 SER HB2 1 1 13 12021 1 1 17 SER HB3 H 16.405 5.615 -5.907 1.00 . A A . 17 SER HB3 1 1 13 12022 1 1 17 SER HG H 17.210 3.954 -3.745 1.00 . A A . 17 SER HG 1 1 13 12023 1 1 17 SER N N 17.491 3.576 -7.365 1.00 . A A . 17 SER N 1 1 13 12024 1 1 17 SER O O 19.236 2.359 -5.995 1.00 . A A . 17 SER O 1 1 13 12025 1 1 17 SER OG O 16.589 4.123 -4.479 1.00 . A A . 17 SER OG 1 1 13 12026 1 1 18 GLN C C 20.841 3.923 -2.517 1.00 . A A . 18 GLN C 1 1 13 12027 1 1 18 GLN CA C 20.756 3.288 -3.899 1.00 . A A . 18 GLN CA 1 1 13 12028 1 1 18 GLN CB C 22.169 3.325 -4.527 1.00 . A A . 18 GLN CB 1 1 13 12029 1 1 18 GLN CD C 22.254 0.891 -5.328 1.00 . A A . 18 GLN CD 1 1 13 12030 1 1 18 GLN CG C 22.398 2.363 -5.718 1.00 . A A . 18 GLN CG 1 1 13 12031 1 1 18 GLN H H 19.828 5.038 -4.495 1.00 . A A . 18 GLN H 1 1 13 12032 1 1 18 GLN HA H 20.424 2.274 -3.833 1.00 . A A . 18 GLN HA 1 1 13 12033 1 1 18 GLN HB2 H 22.361 4.373 -4.859 1.00 . A A . 18 GLN HB2 1 1 13 12034 1 1 18 GLN HB3 H 22.935 3.079 -3.758 1.00 . A A . 18 GLN HB3 1 1 13 12035 1 1 18 GLN HE21 H 20.276 0.898 -5.800 1.00 . A A . 18 GLN HE21 1 1 13 12036 1 1 18 GLN HE22 H 20.917 -0.643 -5.242 1.00 . A A . 18 GLN HE22 1 1 13 12037 1 1 18 GLN HG2 H 21.710 2.600 -6.554 1.00 . A A . 18 GLN HG2 1 1 13 12038 1 1 18 GLN HG3 H 23.439 2.496 -6.085 1.00 . A A . 18 GLN HG3 1 1 13 12039 1 1 18 GLN N N 19.807 4.054 -4.657 1.00 . A A . 18 GLN N 1 1 13 12040 1 1 18 GLN NE2 N 21.034 0.325 -5.454 1.00 . A A . 18 GLN NE2 1 1 13 12041 1 1 18 GLN O O 21.164 5.103 -2.389 1.00 . A A . 18 GLN O 1 1 13 12042 1 1 18 GLN OE1 O 23.230 0.229 -4.954 1.00 . A A . 18 GLN OE1 1 1 13 12043 1 1 19 PRO C C 18.450 1.942 -2.075 1.00 . A A . 19 PRO C 1 1 13 12044 1 1 19 PRO CA C 19.857 1.881 -1.471 1.00 . A A . 19 PRO CA 1 1 13 12045 1 1 19 PRO CB C 19.816 1.518 0.016 1.00 . A A . 19 PRO CB 1 1 13 12046 1 1 19 PRO CD C 20.457 3.809 -0.130 1.00 . A A . 19 PRO CD 1 1 13 12047 1 1 19 PRO CG C 19.610 2.859 0.715 1.00 . A A . 19 PRO CG 1 1 13 12048 1 1 19 PRO HA H 20.452 1.191 -2.049 1.00 . A A . 19 PRO HA 1 1 13 12049 1 1 19 PRO HB2 H 19.016 0.783 0.269 1.00 . A A . 19 PRO HB2 1 1 13 12050 1 1 19 PRO HB3 H 20.821 1.117 0.303 1.00 . A A . 19 PRO HB3 1 1 13 12051 1 1 19 PRO HD2 H 19.996 4.824 -0.158 1.00 . A A . 19 PRO HD2 1 1 13 12052 1 1 19 PRO HD3 H 21.494 3.872 0.264 1.00 . A A . 19 PRO HD3 1 1 13 12053 1 1 19 PRO HG2 H 18.536 3.154 0.660 1.00 . A A . 19 PRO HG2 1 1 13 12054 1 1 19 PRO HG3 H 19.936 2.832 1.773 1.00 . A A . 19 PRO HG3 1 1 13 12055 1 1 19 PRO N N 20.499 3.197 -1.457 1.00 . A A . 19 PRO N 1 1 13 12056 1 1 19 PRO O O 17.909 3.045 -2.217 1.00 . A A . 19 PRO O 1 1 13 12057 1 1 20 PRO C C 15.496 1.133 -1.804 1.00 . A A . 20 PRO C 1 1 13 12058 1 1 20 PRO CA C 16.452 0.859 -2.944 1.00 . A A . 20 PRO CA 1 1 13 12059 1 1 20 PRO CB C 16.255 -0.543 -3.532 1.00 . A A . 20 PRO CB 1 1 13 12060 1 1 20 PRO CD C 18.390 -0.511 -2.448 1.00 . A A . 20 PRO CD 1 1 13 12061 1 1 20 PRO CG C 17.187 -1.424 -2.698 1.00 . A A . 20 PRO CG 1 1 13 12062 1 1 20 PRO HA H 16.308 1.632 -3.685 1.00 . A A . 20 PRO HA 1 1 13 12063 1 1 20 PRO HB2 H 15.202 -0.888 -3.510 1.00 . A A . 20 PRO HB2 1 1 13 12064 1 1 20 PRO HB3 H 16.608 -0.544 -4.590 1.00 . A A . 20 PRO HB3 1 1 13 12065 1 1 20 PRO HD2 H 18.850 -0.743 -1.459 1.00 . A A . 20 PRO HD2 1 1 13 12066 1 1 20 PRO HD3 H 19.135 -0.622 -3.267 1.00 . A A . 20 PRO HD3 1 1 13 12067 1 1 20 PRO HG2 H 16.688 -1.661 -1.732 1.00 . A A . 20 PRO HG2 1 1 13 12068 1 1 20 PRO HG3 H 17.466 -2.359 -3.219 1.00 . A A . 20 PRO HG3 1 1 13 12069 1 1 20 PRO N N 17.829 0.842 -2.480 1.00 . A A . 20 PRO N 1 1 13 12070 1 1 20 PRO O O 15.852 1.012 -0.631 1.00 . A A . 20 PRO O 1 1 13 12071 1 1 21 THR C C 12.011 1.924 -1.879 1.00 . A A . 21 THR C 1 1 13 12072 1 1 21 THR CA C 13.333 2.123 -1.192 1.00 . A A . 21 THR CA 1 1 13 12073 1 1 21 THR CB C 13.562 3.624 -1.029 1.00 . A A . 21 THR CB 1 1 13 12074 1 1 21 THR CG2 C 12.541 4.273 -0.091 1.00 . A A . 21 THR CG2 1 1 13 12075 1 1 21 THR H H 14.043 1.707 -3.099 1.00 . A A . 21 THR H 1 1 13 12076 1 1 21 THR HA H 13.330 1.584 -0.255 1.00 . A A . 21 THR HA 1 1 13 12077 1 1 21 THR HB H 13.496 4.117 -2.029 1.00 . A A . 21 THR HB 1 1 13 12078 1 1 21 THR HG1 H 15.490 3.659 -1.135 1.00 . A A . 21 THR HG1 1 1 13 12079 1 1 21 THR HG21 H 11.523 4.226 -0.527 1.00 . A A . 21 THR HG21 1 1 13 12080 1 1 21 THR HG22 H 12.793 5.346 0.045 1.00 . A A . 21 THR HG22 1 1 13 12081 1 1 21 THR HG23 H 12.551 3.782 0.905 1.00 . A A . 21 THR HG23 1 1 13 12082 1 1 21 THR N N 14.271 1.541 -2.133 1.00 . A A . 21 THR N 1 1 13 12083 1 1 21 THR O O 11.926 1.977 -3.102 1.00 . A A . 21 THR O 1 1 13 12084 1 1 21 THR OG1 O 14.842 3.882 -0.453 1.00 . A A . 21 THR OG1 1 1 13 12085 1 1 22 CYS C C 8.511 1.616 -1.127 1.00 . A A . 22 CYS C 1 1 13 12086 1 1 22 CYS CA C 9.738 1.192 -1.878 1.00 . A A . 22 CYS CA 1 1 13 12087 1 1 22 CYS CB C 9.783 -0.339 -2.148 1.00 . A A . 22 CYS CB 1 1 13 12088 1 1 22 CYS H H 10.935 1.471 -0.166 1.00 . A A . 22 CYS H 1 1 13 12089 1 1 22 CYS HA H 9.648 1.725 -2.812 1.00 . A A . 22 CYS HA 1 1 13 12090 1 1 22 CYS HB2 H 10.809 -0.575 -2.500 1.00 . A A . 22 CYS HB2 1 1 13 12091 1 1 22 CYS HB3 H 9.663 -0.861 -1.187 1.00 . A A . 22 CYS HB3 1 1 13 12092 1 1 22 CYS N N 10.934 1.583 -1.162 1.00 . A A . 22 CYS N 1 1 13 12093 1 1 22 CYS O O 8.563 1.997 0.047 1.00 . A A . 22 CYS O 1 1 13 12094 1 1 22 CYS SG S 8.616 -1.006 -3.378 1.00 . A A . 22 CYS SG 1 1 13 12095 1 1 23 ARG C C 5.043 1.789 -2.315 1.00 . A A . 23 ARG C 1 1 13 12096 1 1 23 ARG CA C 6.154 2.175 -1.375 1.00 . A A . 23 ARG CA 1 1 13 12097 1 1 23 ARG CB C 6.243 3.730 -1.357 1.00 . A A . 23 ARG CB 1 1 13 12098 1 1 23 ARG CD C 5.825 5.428 -3.248 1.00 . A A . 23 ARG CD 1 1 13 12099 1 1 23 ARG CG C 6.754 4.356 -2.671 1.00 . A A . 23 ARG CG 1 1 13 12100 1 1 23 ARG CZ C 4.820 7.358 -1.931 1.00 . A A . 23 ARG CZ 1 1 13 12101 1 1 23 ARG H H 7.403 1.266 -2.780 1.00 . A A . 23 ARG H 1 1 13 12102 1 1 23 ARG HA H 5.887 1.787 -0.402 1.00 . A A . 23 ARG HA 1 1 13 12103 1 1 23 ARG HB2 H 5.260 4.186 -1.101 1.00 . A A . 23 ARG HB2 1 1 13 12104 1 1 23 ARG HB3 H 6.935 4.040 -0.551 1.00 . A A . 23 ARG HB3 1 1 13 12105 1 1 23 ARG HD2 H 6.201 5.770 -4.235 1.00 . A A . 23 ARG HD2 1 1 13 12106 1 1 23 ARG HD3 H 4.797 5.038 -3.345 1.00 . A A . 23 ARG HD3 1 1 13 12107 1 1 23 ARG HE H 6.785 7.010 -2.180 1.00 . A A . 23 ARG HE 1 1 13 12108 1 1 23 ARG HG2 H 7.750 4.812 -2.481 1.00 . A A . 23 ARG HG2 1 1 13 12109 1 1 23 ARG HG3 H 6.882 3.570 -3.447 1.00 . A A . 23 ARG HG3 1 1 13 12110 1 1 23 ARG HH11 H 3.290 6.050 -2.389 1.00 . A A . 23 ARG HH11 1 1 13 12111 1 1 23 ARG HH12 H 2.784 7.540 -1.718 1.00 . A A . 23 ARG HH12 1 1 13 12112 1 1 23 ARG HH21 H 6.103 8.772 -1.273 1.00 . A A . 23 ARG HH21 1 1 13 12113 1 1 23 ARG HH22 H 4.430 9.175 -1.005 1.00 . A A . 23 ARG HH22 1 1 13 12114 1 1 23 ARG N N 7.373 1.551 -1.814 1.00 . A A . 23 ARG N 1 1 13 12115 1 1 23 ARG NE N 5.882 6.613 -2.348 1.00 . A A . 23 ARG NE 1 1 13 12116 1 1 23 ARG NH1 N 3.526 6.956 -2.054 1.00 . A A . 23 ARG NH1 1 1 13 12117 1 1 23 ARG NH2 N 5.134 8.559 -1.362 1.00 . A A . 23 ARG NH2 1 1 13 12118 1 1 23 ARG O O 5.242 1.243 -3.405 1.00 . A A . 23 ARG O 1 1 13 12119 1 1 24 CYS C C 2.013 2.936 -3.165 1.00 . A A . 24 CYS C 1 1 13 12120 1 1 24 CYS CA C 2.612 1.674 -2.600 1.00 . A A . 24 CYS CA 1 1 13 12121 1 1 24 CYS CB C 1.624 0.903 -1.687 1.00 . A A . 24 CYS CB 1 1 13 12122 1 1 24 CYS H H 3.678 2.482 -1.001 1.00 . A A . 24 CYS H 1 1 13 12123 1 1 24 CYS HA H 2.842 1.047 -3.439 1.00 . A A . 24 CYS HA 1 1 13 12124 1 1 24 CYS HB2 H 1.313 1.565 -0.848 1.00 . A A . 24 CYS HB2 1 1 13 12125 1 1 24 CYS HB3 H 0.714 0.610 -2.254 1.00 . A A . 24 CYS HB3 1 1 13 12126 1 1 24 CYS N N 3.809 2.014 -1.870 1.00 . A A . 24 CYS N 1 1 13 12127 1 1 24 CYS O O 2.450 4.036 -2.849 1.00 . A A . 24 CYS O 1 1 13 12128 1 1 24 CYS SG S 2.414 -0.597 -1.004 1.00 . A A . 24 CYS SG 1 1 13 12129 1 1 25 VAL C C -0.721 3.399 -5.588 1.00 . A A . 25 VAL C 1 1 13 12130 1 1 25 VAL CA C 0.581 3.859 -4.932 1.00 . A A . 25 VAL CA 1 1 13 12131 1 1 25 VAL CB C 1.567 3.995 -6.126 1.00 . A A . 25 VAL CB 1 1 13 12132 1 1 25 VAL CG1 C 2.943 4.558 -5.738 1.00 . A A . 25 VAL CG1 1 1 13 12133 1 1 25 VAL CG2 C 1.791 2.642 -6.832 1.00 . A A . 25 VAL CG2 1 1 13 12134 1 1 25 VAL H H 0.776 1.906 -4.306 1.00 . A A . 25 VAL H 1 1 13 12135 1 1 25 VAL HA H 0.410 4.794 -4.421 1.00 . A A . 25 VAL HA 1 1 13 12136 1 1 25 VAL HB H 1.135 4.721 -6.854 1.00 . A A . 25 VAL HB 1 1 13 12137 1 1 25 VAL HG11 H 3.509 4.825 -6.654 1.00 . A A . 25 VAL HG11 1 1 13 12138 1 1 25 VAL HG12 H 3.542 3.792 -5.196 1.00 . A A . 25 VAL HG12 1 1 13 12139 1 1 25 VAL HG13 H 2.838 5.460 -5.100 1.00 . A A . 25 VAL HG13 1 1 13 12140 1 1 25 VAL HG21 H 2.594 2.744 -7.593 1.00 . A A . 25 VAL HG21 1 1 13 12141 1 1 25 VAL HG22 H 0.883 2.293 -7.362 1.00 . A A . 25 VAL HG22 1 1 13 12142 1 1 25 VAL HG23 H 2.087 1.880 -6.088 1.00 . A A . 25 VAL HG23 1 1 13 12143 1 1 25 VAL N N 0.946 2.827 -3.968 1.00 . A A . 25 VAL N 1 1 13 12144 1 1 25 VAL O O -1.044 3.655 -6.748 1.00 . A A . 25 VAL O 1 1 13 12145 1 1 26 ASP C C -3.657 2.468 -3.709 1.00 . A A . 26 ASP C 1 1 13 12146 1 1 26 ASP CA C -2.972 2.589 -5.047 1.00 . A A . 26 ASP CA 1 1 13 12147 1 1 26 ASP CB C -3.200 1.382 -5.972 1.00 . A A . 26 ASP CB 1 1 13 12148 1 1 26 ASP CG C -4.595 1.266 -6.543 1.00 . A A . 26 ASP CG 1 1 13 12149 1 1 26 ASP H H -1.318 2.550 -3.836 1.00 . A A . 26 ASP H 1 1 13 12150 1 1 26 ASP HA H -3.336 3.493 -5.516 1.00 . A A . 26 ASP HA 1 1 13 12151 1 1 26 ASP HB2 H -2.525 1.550 -6.837 1.00 . A A . 26 ASP HB2 1 1 13 12152 1 1 26 ASP HB3 H -2.908 0.453 -5.446 1.00 . A A . 26 ASP HB3 1 1 13 12153 1 1 26 ASP HD2 H -3.740 -0.060 -7.663 1.00 . A A . 26 ASP HD2 1 1 13 12154 1 1 26 ASP N N -1.573 2.757 -4.771 1.00 . A A . 26 ASP N 1 1 13 12155 1 1 26 ASP O O -3.147 1.858 -2.772 1.00 . A A . 26 ASP O 1 1 13 12156 1 1 26 ASP OD1 O -5.556 1.965 -6.290 1.00 . A A . 26 ASP OD1 1 1 13 12157 1 1 26 ASP OD2 O -4.627 0.261 -7.461 1.00 . A A . 26 ASP OD2 1 1 13 12158 1 1 27 VAL C C -6.395 2.014 -2.062 1.00 . A A . 27 VAL C 1 1 13 12159 1 1 27 VAL CA C -5.639 3.263 -2.455 1.00 . A A . 27 VAL CA 1 1 13 12160 1 1 27 VAL CB C -6.551 4.442 -2.723 1.00 . A A . 27 VAL CB 1 1 13 12161 1 1 27 VAL CG1 C -7.591 4.131 -3.805 1.00 . A A . 27 VAL CG1 1 1 13 12162 1 1 27 VAL CG2 C -7.265 4.905 -1.455 1.00 . A A . 27 VAL CG2 1 1 13 12163 1 1 27 VAL H H -5.148 3.594 -4.428 1.00 . A A . 27 VAL H 1 1 13 12164 1 1 27 VAL HA H -5.014 3.513 -1.612 1.00 . A A . 27 VAL HA 1 1 13 12165 1 1 27 VAL HB H -5.905 5.279 -3.080 1.00 . A A . 27 VAL HB 1 1 13 12166 1 1 27 VAL HG11 H -8.365 3.445 -3.396 1.00 . A A . 27 VAL HG11 1 1 13 12167 1 1 27 VAL HG12 H -7.147 3.664 -4.704 1.00 . A A . 27 VAL HG12 1 1 13 12168 1 1 27 VAL HG13 H -8.081 5.077 -4.116 1.00 . A A . 27 VAL HG13 1 1 13 12169 1 1 27 VAL HG21 H -8.069 4.191 -1.174 1.00 . A A . 27 VAL HG21 1 1 13 12170 1 1 27 VAL HG22 H -7.722 5.902 -1.645 1.00 . A A . 27 VAL HG22 1 1 13 12171 1 1 27 VAL HG23 H -6.546 5.014 -0.619 1.00 . A A . 27 VAL HG23 1 1 13 12172 1 1 27 VAL N N -4.813 3.117 -3.621 1.00 . A A . 27 VAL N 1 1 13 12173 1 1 27 VAL O O -6.818 1.207 -2.889 1.00 . A A . 27 VAL O 1 1 13 12174 1 1 28 ARG C C -8.272 1.374 0.834 1.00 . A A . 28 ARG C 1 1 13 12175 1 1 28 ARG CA C -7.334 0.759 -0.184 1.00 . A A . 28 ARG CA 1 1 13 12176 1 1 28 ARG CB C -6.379 -0.280 0.445 1.00 . A A . 28 ARG CB 1 1 13 12177 1 1 28 ARG CD C -6.647 -2.029 -1.405 1.00 . A A . 28 ARG CD 1 1 13 12178 1 1 28 ARG CG C -6.688 -1.749 0.103 1.00 . A A . 28 ARG CG 1 1 13 12179 1 1 28 ARG CZ C -6.101 -4.472 -1.787 1.00 . A A . 28 ARG CZ 1 1 13 12180 1 1 28 ARG H H -6.197 2.454 -0.073 1.00 . A A . 28 ARG H 1 1 13 12181 1 1 28 ARG HA H -7.962 0.322 -0.941 1.00 . A A . 28 ARG HA 1 1 13 12182 1 1 28 ARG HB2 H -5.366 -0.048 0.040 1.00 . A A . 28 ARG HB2 1 1 13 12183 1 1 28 ARG HB3 H -6.317 -0.144 1.542 1.00 . A A . 28 ARG HB3 1 1 13 12184 1 1 28 ARG HD2 H -7.389 -1.408 -1.944 1.00 . A A . 28 ARG HD2 1 1 13 12185 1 1 28 ARG HD3 H -5.642 -1.789 -1.808 1.00 . A A . 28 ARG HD3 1 1 13 12186 1 1 28 ARG HE H -7.983 -3.692 -1.752 1.00 . A A . 28 ARG HE 1 1 13 12187 1 1 28 ARG HG2 H -5.916 -2.376 0.605 1.00 . A A . 28 ARG HG2 1 1 13 12188 1 1 28 ARG HG3 H -7.676 -2.042 0.510 1.00 . A A . 28 ARG HG3 1 1 13 12189 1 1 28 ARG HH11 H -4.452 -3.308 -1.463 1.00 . A A . 28 ARG HH11 1 1 13 12190 1 1 28 ARG HH12 H -4.108 -4.979 -1.787 1.00 . A A . 28 ARG HH12 1 1 13 12191 1 1 28 ARG HH21 H -7.533 -5.905 -2.094 1.00 . A A . 28 ARG HH21 1 1 13 12192 1 1 28 ARG HH22 H -5.902 -6.494 -2.112 1.00 . A A . 28 ARG HH22 1 1 13 12193 1 1 28 ARG N N -6.562 1.821 -0.749 1.00 . A A . 28 ARG N 1 1 13 12194 1 1 28 ARG NE N -7.013 -3.463 -1.653 1.00 . A A . 28 ARG NE 1 1 13 12195 1 1 28 ARG NH1 N -4.764 -4.234 -1.678 1.00 . A A . 28 ARG NH1 1 1 13 12196 1 1 28 ARG NH2 N -6.547 -5.739 -2.032 1.00 . A A . 28 ARG NH2 1 1 13 12197 1 1 28 ARG O O -8.211 2.558 1.156 1.00 . A A . 28 ARG O 1 1 13 12198 1 1 29 GLU C C -9.514 1.368 3.732 1.00 . A A . 29 GLU C 1 1 13 12199 1 1 29 GLU CA C -10.113 0.856 2.433 1.00 . A A . 29 GLU CA 1 1 13 12200 1 1 29 GLU CB C -10.952 -0.401 2.670 1.00 . A A . 29 GLU CB 1 1 13 12201 1 1 29 GLU CD C -13.304 -0.869 1.838 1.00 . A A . 29 GLU CD 1 1 13 12202 1 1 29 GLU CG C -11.843 -0.729 1.447 1.00 . A A . 29 GLU CG 1 1 13 12203 1 1 29 GLU H H -9.219 -0.377 1.069 1.00 . A A . 29 GLU H 1 1 13 12204 1 1 29 GLU HA H -10.753 1.664 2.098 1.00 . A A . 29 GLU HA 1 1 13 12205 1 1 29 GLU HB2 H -10.242 -1.237 2.859 1.00 . A A . 29 GLU HB2 1 1 13 12206 1 1 29 GLU HB3 H -11.560 -0.271 3.591 1.00 . A A . 29 GLU HB3 1 1 13 12207 1 1 29 GLU HE2 H -13.337 1.081 1.842 1.00 . A A . 29 GLU HE2 1 1 13 12208 1 1 29 GLU HG2 H -11.765 0.066 0.671 1.00 . A A . 29 GLU HG2 1 1 13 12209 1 1 29 GLU HG3 H -11.522 -1.688 0.988 1.00 . A A . 29 GLU HG3 1 1 13 12210 1 1 29 GLU N N -9.211 0.574 1.341 1.00 . A A . 29 GLU N 1 1 13 12211 1 1 29 GLU O O -10.144 2.105 4.486 1.00 . A A . 29 GLU O 1 1 13 12212 1 1 29 GLU OE1 O -13.891 -1.909 2.058 1.00 . A A . 29 GLU OE1 1 1 13 12213 1 1 29 GLU OE2 O -13.946 0.347 1.946 1.00 . A A . 29 GLU OE2 1 1 13 12214 1 1 30 SER C C -6.108 1.135 5.102 1.00 . A A . 30 SER C 1 1 13 12215 1 1 30 SER CA C -7.605 1.194 5.277 1.00 . A A . 30 SER CA 1 1 13 12216 1 1 30 SER CB C -7.943 0.096 6.341 1.00 . A A . 30 SER CB 1 1 13 12217 1 1 30 SER H H -7.812 0.415 3.318 1.00 . A A . 30 SER H 1 1 13 12218 1 1 30 SER HA H -7.860 2.177 5.644 1.00 . A A . 30 SER HA 1 1 13 12219 1 1 30 SER HB2 H -7.608 -0.900 5.969 1.00 . A A . 30 SER HB2 1 1 13 12220 1 1 30 SER HB3 H -7.400 0.299 7.288 1.00 . A A . 30 SER HB3 1 1 13 12221 1 1 30 SER HG H -9.436 -0.472 7.470 1.00 . A A . 30 SER HG 1 1 13 12222 1 1 30 SER N N -8.267 0.971 4.004 1.00 . A A . 30 SER N 1 1 13 12223 1 1 30 SER O O -5.601 0.701 4.067 1.00 . A A . 30 SER O 1 1 13 12224 1 1 30 SER OG O -9.347 0.016 6.630 1.00 . A A . 30 SER OG 1 1 13 12225 1 1 31 CYS C C -3.567 0.041 6.927 1.00 . A A . 31 CYS C 1 1 13 12226 1 1 31 CYS CA C -3.917 1.371 6.234 1.00 . A A . 31 CYS CA 1 1 13 12227 1 1 31 CYS CB C -3.290 2.600 6.955 1.00 . A A . 31 CYS CB 1 1 13 12228 1 1 31 CYS H H -5.800 1.991 6.928 1.00 . A A . 31 CYS H 1 1 13 12229 1 1 31 CYS HA H -3.502 1.299 5.235 1.00 . A A . 31 CYS HA 1 1 13 12230 1 1 31 CYS HB2 H -3.932 2.834 7.836 1.00 . A A . 31 CYS HB2 1 1 13 12231 1 1 31 CYS HB3 H -2.260 2.414 7.318 1.00 . A A . 31 CYS HB3 1 1 13 12232 1 1 31 CYS N N -5.355 1.556 6.135 1.00 . A A . 31 CYS N 1 1 13 12233 1 1 31 CYS O O -4.323 -0.926 6.899 1.00 . A A . 31 CYS O 1 1 13 12234 1 1 31 CYS SG S -3.193 4.044 5.850 1.00 . A A . 31 CYS SG 1 1 13 12235 1 1 32 HIS C C -0.741 -0.705 9.046 1.00 . A A . 32 HIS C 1 1 13 12236 1 1 32 HIS CA C -1.897 -1.218 8.230 1.00 . A A . 32 HIS CA 1 1 13 12237 1 1 32 HIS CB C -1.404 -2.330 7.274 1.00 . A A . 32 HIS CB 1 1 13 12238 1 1 32 HIS CD2 C 0.089 -4.418 7.822 1.00 . A A . 32 HIS CD2 1 1 13 12239 1 1 32 HIS CE1 C -1.426 -5.476 8.981 1.00 . A A . 32 HIS CE1 1 1 13 12240 1 1 32 HIS CG C -1.016 -3.633 7.900 1.00 . A A . 32 HIS CG 1 1 13 12241 1 1 32 HIS H H -1.705 0.687 7.549 1.00 . A A . 32 HIS H 1 1 13 12242 1 1 32 HIS HA H -2.669 -1.580 8.891 1.00 . A A . 32 HIS HA 1 1 13 12243 1 1 32 HIS HB2 H -2.274 -2.598 6.637 1.00 . A A . 32 HIS HB2 1 1 13 12244 1 1 32 HIS HB3 H -0.563 -1.944 6.662 1.00 . A A . 32 HIS HB3 1 1 13 12245 1 1 32 HIS HD1 H -2.874 -4.018 8.825 1.00 . A A . 32 HIS HD1 1 1 13 12246 1 1 32 HIS HD2 H 1.047 -4.258 7.337 1.00 . A A . 32 HIS HD2 1 1 13 12247 1 1 32 HIS HE1 H -1.956 -6.206 9.549 1.00 . A A . 32 HIS HE1 1 1 13 12248 1 1 32 HIS HE2 H 0.436 -6.343 8.629 1.00 . A A . 32 HIS HE2 1 1 13 12249 1 1 32 HIS N N -2.358 -0.065 7.504 1.00 . A A . 32 HIS N 1 1 13 12250 1 1 32 HIS ND1 N -1.943 -4.319 8.621 1.00 . A A . 32 HIS ND1 1 1 13 12251 1 1 32 HIS NE2 N -0.193 -5.571 8.506 1.00 . A A . 32 HIS NE2 1 1 13 12252 1 1 32 HIS O O -0.251 0.396 8.784 1.00 . A A . 32 HIS O 1 1 13 12253 1 1 33 SER C C 2.198 -0.892 10.117 1.00 . A A . 33 SER C 1 1 13 12254 1 1 33 SER CA C 0.896 -1.148 10.859 1.00 . A A . 33 SER CA 1 1 13 12255 1 1 33 SER CB C 1.181 -2.227 11.936 1.00 . A A . 33 SER CB 1 1 13 12256 1 1 33 SER H H -0.765 -2.308 10.292 1.00 . A A . 33 SER H 1 1 13 12257 1 1 33 SER HA H 0.634 -0.216 11.349 1.00 . A A . 33 SER HA 1 1 13 12258 1 1 33 SER HB2 H 1.438 -3.195 11.449 1.00 . A A . 33 SER HB2 1 1 13 12259 1 1 33 SER HB3 H 2.041 -1.933 12.588 1.00 . A A . 33 SER HB3 1 1 13 12260 1 1 33 SER HG H 0.323 -2.985 13.507 1.00 . A A . 33 SER HG 1 1 13 12261 1 1 33 SER N N -0.244 -1.503 10.006 1.00 . A A . 33 SER N 1 1 13 12262 1 1 33 SER O O 3.102 -0.213 10.605 1.00 . A A . 33 SER O 1 1 13 12263 1 1 33 SER OG O 0.029 -2.424 12.762 1.00 . A A . 33 SER OG 1 1 13 12264 1 1 34 ALA C C 3.244 0.270 7.272 1.00 . A A . 34 ALA C 1 1 13 12265 1 1 34 ALA CA C 3.335 -1.120 7.894 1.00 . A A . 34 ALA CA 1 1 13 12266 1 1 34 ALA CB C 3.281 -2.212 6.803 1.00 . A A . 34 ALA CB 1 1 13 12267 1 1 34 ALA H H 1.537 -1.917 8.530 1.00 . A A . 34 ALA H 1 1 13 12268 1 1 34 ALA HA H 4.280 -1.175 8.413 1.00 . A A . 34 ALA HA 1 1 13 12269 1 1 34 ALA HB1 H 4.138 -2.101 6.105 1.00 . A A . 34 ALA HB1 1 1 13 12270 1 1 34 ALA HB2 H 2.341 -2.154 6.216 1.00 . A A . 34 ALA HB2 1 1 13 12271 1 1 34 ALA HB3 H 3.369 -3.218 7.272 1.00 . A A . 34 ALA HB3 1 1 13 12272 1 1 34 ALA N N 2.286 -1.373 8.861 1.00 . A A . 34 ALA N 1 1 13 12273 1 1 34 ALA O O 3.372 0.471 6.066 1.00 . A A . 34 ALA O 1 1 13 12274 1 1 35 CYS C C 3.380 3.617 8.789 1.00 . A A . 35 CYS C 1 1 13 12275 1 1 35 CYS CA C 2.892 2.659 7.712 1.00 . A A . 35 CYS CA 1 1 13 12276 1 1 35 CYS CB C 1.399 2.940 7.424 1.00 . A A . 35 CYS CB 1 1 13 12277 1 1 35 CYS H H 2.871 1.046 9.074 1.00 . A A . 35 CYS H 1 1 13 12278 1 1 35 CYS HA H 3.507 2.817 6.839 1.00 . A A . 35 CYS HA 1 1 13 12279 1 1 35 CYS HB2 H 1.022 2.079 6.817 1.00 . A A . 35 CYS HB2 1 1 13 12280 1 1 35 CYS HB3 H 0.842 2.959 8.395 1.00 . A A . 35 CYS HB3 1 1 13 12281 1 1 35 CYS N N 3.030 1.283 8.116 1.00 . A A . 35 CYS N 1 1 13 12282 1 1 35 CYS O O 3.351 3.291 9.974 1.00 . A A . 35 CYS O 1 1 13 12283 1 1 35 CYS SG S 1.168 4.468 6.475 1.00 . A A . 35 CYS SG 1 1 13 12284 1 1 36 ASP C C 2.901 6.957 9.195 1.00 . A A . 36 ASP C 1 1 13 12285 1 1 36 ASP CA C 4.017 5.928 9.361 1.00 . A A . 36 ASP CA 1 1 13 12286 1 1 36 ASP CB C 5.425 6.582 9.276 1.00 . A A . 36 ASP CB 1 1 13 12287 1 1 36 ASP CG C 6.488 5.501 9.314 1.00 . A A . 36 ASP CG 1 1 13 12288 1 1 36 ASP H H 3.788 5.101 7.449 1.00 . A A . 36 ASP H 1 1 13 12289 1 1 36 ASP HA H 3.897 5.557 10.372 1.00 . A A . 36 ASP HA 1 1 13 12290 1 1 36 ASP HB2 H 5.538 7.188 8.361 1.00 . A A . 36 ASP HB2 1 1 13 12291 1 1 36 ASP HB3 H 5.576 7.245 10.161 1.00 . A A . 36 ASP HB3 1 1 13 12292 1 1 36 ASP HD2 H 7.621 6.591 8.124 1.00 . A A . 36 ASP HD2 1 1 13 12293 1 1 36 ASP N N 3.795 4.849 8.410 1.00 . A A . 36 ASP N 1 1 13 12294 1 1 36 ASP O O 2.028 7.038 10.048 1.00 . A A . 36 ASP O 1 1 13 12295 1 1 36 ASP OD1 O 6.495 4.546 10.065 1.00 . A A . 36 ASP OD1 1 1 13 12296 1 1 36 ASP OD2 O 7.465 5.669 8.362 1.00 . A A . 36 ASP OD2 1 1 13 12297 1 1 37 LYS C C 0.708 7.974 6.926 1.00 . A A . 37 LYS C 1 1 13 12298 1 1 37 LYS CA C 1.751 8.636 7.808 1.00 . A A . 37 LYS CA 1 1 13 12299 1 1 37 LYS CB C 2.186 9.952 7.120 1.00 . A A . 37 LYS CB 1 1 13 12300 1 1 37 LYS CD C 0.831 11.629 8.502 1.00 . A A . 37 LYS CD 1 1 13 12301 1 1 37 LYS CE C -0.311 12.650 8.551 1.00 . A A . 37 LYS CE 1 1 13 12302 1 1 37 LYS CG C 1.089 11.028 7.112 1.00 . A A . 37 LYS CG 1 1 13 12303 1 1 37 LYS H H 3.571 7.806 7.396 1.00 . A A . 37 LYS H 1 1 13 12304 1 1 37 LYS HA H 1.279 8.887 8.743 1.00 . A A . 37 LYS HA 1 1 13 12305 1 1 37 LYS HB2 H 3.083 10.354 7.630 1.00 . A A . 37 LYS HB2 1 1 13 12306 1 1 37 LYS HB3 H 2.496 9.746 6.073 1.00 . A A . 37 LYS HB3 1 1 13 12307 1 1 37 LYS HD2 H 0.589 10.820 9.222 1.00 . A A . 37 LYS HD2 1 1 13 12308 1 1 37 LYS HD3 H 1.763 12.123 8.857 1.00 . A A . 37 LYS HD3 1 1 13 12309 1 1 37 LYS HE2 H -0.402 13.060 9.582 1.00 . A A . 37 LYS HE2 1 1 13 12310 1 1 37 LYS HE3 H -0.126 13.484 7.841 1.00 . A A . 37 LYS HE3 1 1 13 12311 1 1 37 LYS HG2 H 1.392 11.842 6.419 1.00 . A A . 37 LYS HG2 1 1 13 12312 1 1 37 LYS HG3 H 0.156 10.583 6.699 1.00 . A A . 37 LYS HG3 1 1 13 12313 1 1 37 LYS HZ1 H -1.797 11.244 8.862 1.00 . A A . 37 LYS HZ1 1 1 13 12314 1 1 37 LYS HZ2 H -1.583 11.673 7.234 1.00 . A A . 37 LYS HZ2 1 1 13 12315 1 1 37 LYS HZ3 H -2.363 12.744 8.299 1.00 . A A . 37 LYS HZ3 1 1 13 12316 1 1 37 LYS N N 2.861 7.750 8.095 1.00 . A A . 37 LYS N 1 1 13 12317 1 1 37 LYS NZ N -1.609 12.032 8.209 1.00 . A A . 37 LYS NZ 1 1 13 12318 1 1 37 LYS O O 0.904 7.747 5.727 1.00 . A A . 37 LYS O 1 1 13 12319 1 1 38 CYS C C -2.469 8.497 6.445 1.00 . A A . 38 CYS C 1 1 13 12320 1 1 38 CYS CA C -1.636 7.273 6.813 1.00 . A A . 38 CYS CA 1 1 13 12321 1 1 38 CYS CB C -2.425 6.334 7.758 1.00 . A A . 38 CYS CB 1 1 13 12322 1 1 38 CYS H H -0.588 7.784 8.500 1.00 . A A . 38 CYS H 1 1 13 12323 1 1 38 CYS HA H -1.383 6.757 5.897 1.00 . A A . 38 CYS HA 1 1 13 12324 1 1 38 CYS HB2 H -1.715 5.544 8.101 1.00 . A A . 38 CYS HB2 1 1 13 12325 1 1 38 CYS HB3 H -2.705 6.942 8.657 1.00 . A A . 38 CYS HB3 1 1 13 12326 1 1 38 CYS N N -0.443 7.646 7.516 1.00 . A A . 38 CYS N 1 1 13 12327 1 1 38 CYS O O -2.838 9.310 7.292 1.00 . A A . 38 CYS O 1 1 13 12328 1 1 38 CYS SG S -3.890 5.557 7.007 1.00 . A A . 38 CYS SG 1 1 13 12329 1 1 39 VAL C C -4.961 9.058 4.298 1.00 . A A . 39 VAL C 1 1 13 12330 1 1 39 VAL CA C -3.651 9.709 4.677 1.00 . A A . 39 VAL CA 1 1 13 12331 1 1 39 VAL CB C -2.962 10.317 3.478 1.00 . A A . 39 VAL CB 1 1 13 12332 1 1 39 VAL CG1 C -3.882 11.191 2.625 1.00 . A A . 39 VAL CG1 1 1 13 12333 1 1 39 VAL CG2 C -1.786 11.164 3.994 1.00 . A A . 39 VAL CG2 1 1 13 12334 1 1 39 VAL H H -2.493 8.039 4.428 1.00 . A A . 39 VAL H 1 1 13 12335 1 1 39 VAL HA H -3.840 10.461 5.425 1.00 . A A . 39 VAL HA 1 1 13 12336 1 1 39 VAL HB H -2.570 9.495 2.839 1.00 . A A . 39 VAL HB 1 1 13 12337 1 1 39 VAL HG11 H -4.685 10.584 2.162 1.00 . A A . 39 VAL HG11 1 1 13 12338 1 1 39 VAL HG12 H -3.281 11.658 1.819 1.00 . A A . 39 VAL HG12 1 1 13 12339 1 1 39 VAL HG13 H -4.320 11.989 3.259 1.00 . A A . 39 VAL HG13 1 1 13 12340 1 1 39 VAL HG21 H -2.165 11.947 4.685 1.00 . A A . 39 VAL HG21 1 1 13 12341 1 1 39 VAL HG22 H -1.280 11.664 3.142 1.00 . A A . 39 VAL HG22 1 1 13 12342 1 1 39 VAL HG23 H -1.053 10.527 4.533 1.00 . A A . 39 VAL HG23 1 1 13 12343 1 1 39 VAL N N -2.791 8.661 5.158 1.00 . A A . 39 VAL N 1 1 13 12344 1 1 39 VAL O O -4.942 7.974 3.724 1.00 . A A . 39 VAL O 1 1 13 12345 1 1 40 CYS C C -8.496 9.972 4.026 1.00 . A A . 40 CYS C 1 1 13 12346 1 1 40 CYS CA C -7.402 9.006 4.394 1.00 . A A . 40 CYS CA 1 1 13 12347 1 1 40 CYS CB C -7.890 8.306 5.674 1.00 . A A . 40 CYS CB 1 1 13 12348 1 1 40 CYS H H -6.186 10.551 5.039 1.00 . A A . 40 CYS H 1 1 13 12349 1 1 40 CYS HA H -7.352 8.309 3.585 1.00 . A A . 40 CYS HA 1 1 13 12350 1 1 40 CYS HB2 H -7.890 9.071 6.469 1.00 . A A . 40 CYS HB2 1 1 13 12351 1 1 40 CYS HB3 H -8.938 7.990 5.529 1.00 . A A . 40 CYS HB3 1 1 13 12352 1 1 40 CYS N N -6.130 9.671 4.579 1.00 . A A . 40 CYS N 1 1 13 12353 1 1 40 CYS O O -9.032 10.714 4.843 1.00 . A A . 40 CYS O 1 1 13 12354 1 1 40 CYS SG S -6.926 6.866 6.216 1.00 . A A . 40 CYS SG 1 1 13 12355 1 1 41 ALA C C -11.352 10.187 2.763 1.00 . A A . 41 ALA C 1 1 13 12356 1 1 41 ALA CA C -10.015 10.702 2.254 1.00 . A A . 41 ALA CA 1 1 13 12357 1 1 41 ALA CB C -10.021 10.842 0.729 1.00 . A A . 41 ALA CB 1 1 13 12358 1 1 41 ALA H H -8.494 9.263 2.146 1.00 . A A . 41 ALA H 1 1 13 12359 1 1 41 ALA HA H -9.923 11.713 2.634 1.00 . A A . 41 ALA HA 1 1 13 12360 1 1 41 ALA HB1 H -9.040 11.243 0.401 1.00 . A A . 41 ALA HB1 1 1 13 12361 1 1 41 ALA HB2 H -10.805 11.561 0.416 1.00 . A A . 41 ALA HB2 1 1 13 12362 1 1 41 ALA HB3 H -10.189 9.869 0.230 1.00 . A A . 41 ALA HB3 1 1 13 12363 1 1 41 ALA N N -8.867 9.972 2.737 1.00 . A A . 41 ALA N 1 1 13 12364 1 1 41 ALA O O -11.657 8.993 2.763 1.00 . A A . 41 ALA O 1 1 13 12365 1 1 42 TYR C C -14.627 10.667 2.717 1.00 . A A . 42 TYR C 1 1 13 12366 1 1 42 TYR CA C -13.526 10.944 3.732 1.00 . A A . 42 TYR CA 1 1 13 12367 1 1 42 TYR CB C -13.836 12.187 4.604 1.00 . A A . 42 TYR CB 1 1 13 12368 1 1 42 TYR CD1 C -14.861 13.934 3.095 1.00 . A A . 42 TYR CD1 1 1 13 12369 1 1 42 TYR CD2 C -12.538 14.203 3.723 1.00 . A A . 42 TYR CD2 1 1 13 12370 1 1 42 TYR CE1 C -14.779 15.077 2.293 1.00 . A A . 42 TYR CE1 1 1 13 12371 1 1 42 TYR CE2 C -12.455 15.345 2.915 1.00 . A A . 42 TYR CE2 1 1 13 12372 1 1 42 TYR CG C -13.745 13.476 3.813 1.00 . A A . 42 TYR CG 1 1 13 12373 1 1 42 TYR CZ C -13.576 15.782 2.208 1.00 . A A . 42 TYR CZ 1 1 13 12374 1 1 42 TYR H H -11.948 12.088 3.073 1.00 . A A . 42 TYR H 1 1 13 12375 1 1 42 TYR HA H -13.468 10.078 4.364 1.00 . A A . 42 TYR HA 1 1 13 12376 1 1 42 TYR HB2 H -14.841 12.103 5.075 1.00 . A A . 42 TYR HB2 1 1 13 12377 1 1 42 TYR HB3 H -13.067 12.215 5.407 1.00 . A A . 42 TYR HB3 1 1 13 12378 1 1 42 TYR HD1 H -15.799 13.401 3.137 1.00 . A A . 42 TYR HD1 1 1 13 12379 1 1 42 TYR HD2 H -11.651 13.880 4.246 1.00 . A A . 42 TYR HD2 1 1 13 12380 1 1 42 TYR HE1 H -15.652 15.402 1.746 1.00 . A A . 42 TYR HE1 1 1 13 12381 1 1 42 TYR HE2 H -11.523 15.889 2.845 1.00 . A A . 42 TYR HE2 1 1 13 12382 1 1 42 TYR HH H -14.421 17.233 1.263 1.00 . A A . 42 TYR HH 1 1 13 12383 1 1 42 TYR N N -12.226 11.136 3.126 1.00 . A A . 42 TYR N 1 1 13 12384 1 1 42 TYR O O -15.821 10.847 2.944 1.00 . A A . 42 TYR O 1 1 13 12385 1 1 42 TYR OH O -13.504 16.922 1.385 1.00 . A A . 42 TYR OH 1 1 13 12386 1 1 43 SER C C -15.859 8.520 0.707 1.00 . A A . 43 SER C 1 1 13 12387 1 1 43 SER CA C -14.974 9.721 0.417 1.00 . A A . 43 SER CA 1 1 13 12388 1 1 43 SER CB C -14.066 9.411 -0.795 1.00 . A A . 43 SER CB 1 1 13 12389 1 1 43 SER H H -13.213 10.112 1.476 1.00 . A A . 43 SER H 1 1 13 12390 1 1 43 SER HA H -15.641 10.516 0.125 1.00 . A A . 43 SER HA 1 1 13 12391 1 1 43 SER HB2 H -13.424 8.534 -0.554 1.00 . A A . 43 SER HB2 1 1 13 12392 1 1 43 SER HB3 H -14.669 9.200 -1.704 1.00 . A A . 43 SER HB3 1 1 13 12393 1 1 43 SER HG H -12.881 10.356 -2.000 1.00 . A A . 43 SER HG 1 1 13 12394 1 1 43 SER N N -14.200 10.203 1.544 1.00 . A A . 43 SER N 1 1 13 12395 1 1 43 SER O O -16.066 8.101 1.842 1.00 . A A . 43 SER O 1 1 13 12396 1 1 43 SER OG O -13.224 10.528 -1.097 1.00 . A A . 43 SER OG 1 1 13 12397 1 1 44 ASN C C -17.103 5.935 -1.465 1.00 . A A . 44 ASN C 1 1 13 12398 1 1 44 ASN CA C -17.369 6.864 -0.287 1.00 . A A . 44 ASN CA 1 1 13 12399 1 1 44 ASN CB C -18.743 7.555 -0.417 1.00 . A A . 44 ASN CB 1 1 13 12400 1 1 44 ASN CG C -19.915 6.595 -0.259 1.00 . A A . 44 ASN CG 1 1 13 12401 1 1 44 ASN H H -16.227 8.229 -1.269 1.00 . A A . 44 ASN H 1 1 13 12402 1 1 44 ASN HA H -17.294 6.334 0.644 1.00 . A A . 44 ASN HA 1 1 13 12403 1 1 44 ASN HB2 H -18.812 8.302 0.397 1.00 . A A . 44 ASN HB2 1 1 13 12404 1 1 44 ASN HB3 H -18.795 8.121 -1.365 1.00 . A A . 44 ASN HB3 1 1 13 12405 1 1 44 ASN HD21 H -19.965 6.076 -2.244 1.00 . A A . 44 ASN HD21 1 1 13 12406 1 1 44 ASN HD22 H -20.957 5.126 -1.199 1.00 . A A . 44 ASN HD22 1 1 13 12407 1 1 44 ASN N N -16.372 7.889 -0.354 1.00 . A A . 44 ASN N 1 1 13 12408 1 1 44 ASN ND2 N -20.300 5.863 -1.327 1.00 . A A . 44 ASN ND2 1 1 13 12409 1 1 44 ASN O O -17.289 6.355 -2.606 1.00 . A A . 44 ASN O 1 1 13 12410 1 1 44 ASN OD1 O -20.506 6.514 0.823 1.00 . A A . 44 ASN OD1 1 1 13 12411 1 1 45 PRO C C -15.033 4.781 0.624 1.00 . A A . 45 PRO C 1 1 13 12412 1 1 45 PRO CA C -16.266 4.116 0.018 1.00 . A A . 45 PRO CA 1 1 13 12413 1 1 45 PRO CB C -16.017 2.647 -0.364 1.00 . A A . 45 PRO CB 1 1 13 12414 1 1 45 PRO CD C -16.357 3.827 -2.397 1.00 . A A . 45 PRO CD 1 1 13 12415 1 1 45 PRO CG C -15.492 2.721 -1.796 1.00 . A A . 45 PRO CG 1 1 13 12416 1 1 45 PRO HA H -17.076 4.253 0.719 1.00 . A A . 45 PRO HA 1 1 13 12417 1 1 45 PRO HB2 H -15.352 2.120 0.332 1.00 . A A . 45 PRO HB2 1 1 13 12418 1 1 45 PRO HB3 H -16.982 2.109 -0.345 1.00 . A A . 45 PRO HB3 1 1 13 12419 1 1 45 PRO HD2 H -15.823 4.363 -3.211 1.00 . A A . 45 PRO HD2 1 1 13 12420 1 1 45 PRO HD3 H -17.318 3.411 -2.770 1.00 . A A . 45 PRO HD3 1 1 13 12421 1 1 45 PRO HG2 H -14.427 3.043 -1.786 1.00 . A A . 45 PRO HG2 1 1 13 12422 1 1 45 PRO HG3 H -15.568 1.763 -2.342 1.00 . A A . 45 PRO HG3 1 1 13 12423 1 1 45 PRO N N -16.644 4.709 -1.269 1.00 . A A . 45 PRO N 1 1 13 12424 1 1 45 PRO O O -14.375 5.522 -0.110 1.00 . A A . 45 PRO O 1 1 13 12425 1 1 46 PRO C C -12.252 4.982 1.973 1.00 . A A . 46 PRO C 1 1 13 12426 1 1 46 PRO CA C -13.607 5.403 2.501 1.00 . A A . 46 PRO CA 1 1 13 12427 1 1 46 PRO CB C -13.738 5.100 3.993 1.00 . A A . 46 PRO CB 1 1 13 12428 1 1 46 PRO CD C -15.327 3.730 2.856 1.00 . A A . 46 PRO CD 1 1 13 12429 1 1 46 PRO CG C -14.345 3.701 4.028 1.00 . A A . 46 PRO CG 1 1 13 12430 1 1 46 PRO HA H -13.729 6.455 2.291 1.00 . A A . 46 PRO HA 1 1 13 12431 1 1 46 PRO HB2 H -12.776 5.177 4.536 1.00 . A A . 46 PRO HB2 1 1 13 12432 1 1 46 PRO HB3 H -14.464 5.810 4.448 1.00 . A A . 46 PRO HB3 1 1 13 12433 1 1 46 PRO HD2 H -15.448 2.696 2.436 1.00 . A A . 46 PRO HD2 1 1 13 12434 1 1 46 PRO HD3 H -16.294 4.193 3.192 1.00 . A A . 46 PRO HD3 1 1 13 12435 1 1 46 PRO HG2 H -13.551 2.946 3.839 1.00 . A A . 46 PRO HG2 1 1 13 12436 1 1 46 PRO HG3 H -14.838 3.503 4.998 1.00 . A A . 46 PRO HG3 1 1 13 12437 1 1 46 PRO N N -14.684 4.630 1.895 1.00 . A A . 46 PRO N 1 1 13 12438 1 1 46 PRO O O -12.061 3.828 1.576 1.00 . A A . 46 PRO O 1 1 13 12439 1 1 47 GLN C C -8.957 5.955 2.193 1.00 . A A . 47 GLN C 1 1 13 12440 1 1 47 GLN CA C -10.070 5.780 1.211 1.00 . A A . 47 GLN CA 1 1 13 12441 1 1 47 GLN CB C -9.949 6.937 0.201 1.00 . A A . 47 GLN CB 1 1 13 12442 1 1 47 GLN CD C -11.008 5.985 -1.947 1.00 . A A . 47 GLN CD 1 1 13 12443 1 1 47 GLN CG C -11.102 7.021 -0.829 1.00 . A A . 47 GLN CG 1 1 13 12444 1 1 47 GLN H H -11.431 6.839 2.310 1.00 . A A . 47 GLN H 1 1 13 12445 1 1 47 GLN HA H -9.965 4.817 0.742 1.00 . A A . 47 GLN HA 1 1 13 12446 1 1 47 GLN HB2 H -9.974 7.885 0.793 1.00 . A A . 47 GLN HB2 1 1 13 12447 1 1 47 GLN HB3 H -8.968 6.908 -0.322 1.00 . A A . 47 GLN HB3 1 1 13 12448 1 1 47 GLN HE21 H -9.444 6.991 -2.764 1.00 . A A . 47 GLN HE21 1 1 13 12449 1 1 47 GLN HE22 H -10.021 5.636 -3.692 1.00 . A A . 47 GLN HE22 1 1 13 12450 1 1 47 GLN HG2 H -12.086 6.912 -0.329 1.00 . A A . 47 GLN HG2 1 1 13 12451 1 1 47 GLN HG3 H -11.082 8.030 -1.297 1.00 . A A . 47 GLN HG3 1 1 13 12452 1 1 47 GLN N N -11.317 5.930 1.902 1.00 . A A . 47 GLN N 1 1 13 12453 1 1 47 GLN NE2 N -10.075 6.215 -2.884 1.00 . A A . 47 GLN NE2 1 1 13 12454 1 1 47 GLN O O -9.063 6.798 3.076 1.00 . A A . 47 GLN O 1 1 13 12455 1 1 47 GLN OE1 O -11.807 5.035 -2.042 1.00 . A A . 47 GLN OE1 1 1 13 12456 1 1 48 CYS C C -5.458 4.920 2.094 1.00 . A A . 48 CYS C 1 1 13 12457 1 1 48 CYS CA C -6.674 5.435 2.829 1.00 . A A . 48 CYS CA 1 1 13 12458 1 1 48 CYS CB C -6.724 4.624 4.142 1.00 . A A . 48 CYS CB 1 1 13 12459 1 1 48 CYS H H -7.829 4.445 1.411 1.00 . A A . 48 CYS H 1 1 13 12460 1 1 48 CYS HA H -6.518 6.476 3.011 1.00 . A A . 48 CYS HA 1 1 13 12461 1 1 48 CYS HB2 H -7.018 3.594 3.848 1.00 . A A . 48 CYS HB2 1 1 13 12462 1 1 48 CYS HB3 H -5.709 4.591 4.590 1.00 . A A . 48 CYS HB3 1 1 13 12463 1 1 48 CYS N N -7.837 5.252 2.004 1.00 . A A . 48 CYS N 1 1 13 12464 1 1 48 CYS O O -5.446 3.868 1.449 1.00 . A A . 48 CYS O 1 1 13 12465 1 1 48 CYS SG S -7.860 5.240 5.424 1.00 . A A . 48 CYS SG 1 1 13 12466 1 1 49 GLN C C -2.033 5.668 2.487 1.00 . A A . 49 GLN C 1 1 13 12467 1 1 49 GLN CA C -3.148 5.518 1.488 1.00 . A A . 49 GLN CA 1 1 13 12468 1 1 49 GLN CB C -2.940 6.607 0.410 1.00 . A A . 49 GLN CB 1 1 13 12469 1 1 49 GLN CD C -5.087 7.658 -0.472 1.00 . A A . 49 GLN CD 1 1 13 12470 1 1 49 GLN CG C -4.019 6.584 -0.692 1.00 . A A . 49 GLN CG 1 1 13 12471 1 1 49 GLN H H -4.431 6.586 2.673 1.00 . A A . 49 GLN H 1 1 13 12472 1 1 49 GLN HA H -3.099 4.526 1.072 1.00 . A A . 49 GLN HA 1 1 13 12473 1 1 49 GLN HB2 H -2.953 7.605 0.911 1.00 . A A . 49 GLN HB2 1 1 13 12474 1 1 49 GLN HB3 H -1.948 6.471 -0.074 1.00 . A A . 49 GLN HB3 1 1 13 12475 1 1 49 GLN HE21 H -3.908 9.072 -1.360 1.00 . A A . 49 GLN HE21 1 1 13 12476 1 1 49 GLN HE22 H -5.550 9.552 -1.016 1.00 . A A . 49 GLN HE22 1 1 13 12477 1 1 49 GLN HG2 H -3.555 6.745 -1.686 1.00 . A A . 49 GLN HG2 1 1 13 12478 1 1 49 GLN HG3 H -4.515 5.594 -0.702 1.00 . A A . 49 GLN HG3 1 1 13 12479 1 1 49 GLN N N -4.386 5.719 2.167 1.00 . A A . 49 GLN N 1 1 13 12480 1 1 49 GLN NE2 N -4.802 8.889 -0.959 1.00 . A A . 49 GLN NE2 1 1 13 12481 1 1 49 GLN O O -1.983 6.618 3.268 1.00 . A A . 49 GLN O 1 1 13 12482 1 1 49 GLN OE1 O -6.139 7.423 0.120 1.00 . A A . 49 GLN OE1 1 1 13 12483 1 1 50 CYS C C 1.112 5.766 2.353 1.00 . A A . 50 CYS C 1 1 13 12484 1 1 50 CYS CA C 0.163 4.943 3.200 1.00 . A A . 50 CYS CA 1 1 13 12485 1 1 50 CYS CB C 0.877 3.641 3.620 1.00 . A A . 50 CYS CB 1 1 13 12486 1 1 50 CYS H H -1.123 3.974 1.830 1.00 . A A . 50 CYS H 1 1 13 12487 1 1 50 CYS HA H -0.044 5.524 4.091 1.00 . A A . 50 CYS HA 1 1 13 12488 1 1 50 CYS HB2 H 0.145 2.953 4.096 1.00 . A A . 50 CYS HB2 1 1 13 12489 1 1 50 CYS HB3 H 1.290 3.125 2.726 1.00 . A A . 50 CYS HB3 1 1 13 12490 1 1 50 CYS N N -1.067 4.738 2.463 1.00 . A A . 50 CYS N 1 1 13 12491 1 1 50 CYS O O 1.660 5.292 1.363 1.00 . A A . 50 CYS O 1 1 13 12492 1 1 50 CYS SG S 2.208 4.025 4.799 1.00 . A A . 50 CYS SG 1 1 13 12493 1 1 51 TYR C C 3.707 7.406 2.292 1.00 . A A . 51 TYR C 1 1 13 12494 1 1 51 TYR CA C 2.292 7.947 2.217 1.00 . A A . 51 TYR CA 1 1 13 12495 1 1 51 TYR CB C 2.179 9.360 2.869 1.00 . A A . 51 TYR CB 1 1 13 12496 1 1 51 TYR CD1 C 0.119 9.884 1.492 1.00 . A A . 51 TYR CD1 1 1 13 12497 1 1 51 TYR CD2 C 1.972 11.428 1.408 1.00 . A A . 51 TYR CD2 1 1 13 12498 1 1 51 TYR CE1 C -0.537 10.619 0.499 1.00 . A A . 51 TYR CE1 1 1 13 12499 1 1 51 TYR CE2 C 1.316 12.160 0.413 1.00 . A A . 51 TYR CE2 1 1 13 12500 1 1 51 TYR CG C 1.400 10.259 1.940 1.00 . A A . 51 TYR CG 1 1 13 12501 1 1 51 TYR CZ C 0.071 11.750 -0.055 1.00 . A A . 51 TYR CZ 1 1 13 12502 1 1 51 TYR H H 0.800 7.358 3.544 1.00 . A A . 51 TYR H 1 1 13 12503 1 1 51 TYR HA H 2.127 8.019 1.151 1.00 . A A . 51 TYR HA 1 1 13 12504 1 1 51 TYR HB2 H 1.654 9.317 3.844 1.00 . A A . 51 TYR HB2 1 1 13 12505 1 1 51 TYR HB3 H 3.184 9.797 3.058 1.00 . A A . 51 TYR HB3 1 1 13 12506 1 1 51 TYR HD1 H -0.388 9.010 1.870 1.00 . A A . 51 TYR HD1 1 1 13 12507 1 1 51 TYR HD2 H 2.943 11.782 1.702 1.00 . A A . 51 TYR HD2 1 1 13 12508 1 1 51 TYR HE1 H -1.501 10.275 0.169 1.00 . A A . 51 TYR HE1 1 1 13 12509 1 1 51 TYR HE2 H 1.808 13.025 -0.001 1.00 . A A . 51 TYR HE2 1 1 13 12510 1 1 51 TYR HH H -1.265 11.908 -1.442 1.00 . A A . 51 TYR HH 1 1 13 12511 1 1 51 TYR N N 1.269 7.048 2.717 1.00 . A A . 51 TYR N 1 1 13 12512 1 1 51 TYR O O 4.472 7.419 1.335 1.00 . A A . 51 TYR O 1 1 13 12513 1 1 51 TYR OH O -0.541 12.460 -1.104 1.00 . A A . 51 TYR OH 1 1 13 12514 1 1 52 ASP C C 6.026 5.361 3.089 1.00 . A A . 52 ASP C 1 1 13 12515 1 1 52 ASP CA C 5.489 6.620 3.739 1.00 . A A . 52 ASP CA 1 1 13 12516 1 1 52 ASP CB C 5.815 6.491 5.242 1.00 . A A . 52 ASP CB 1 1 13 12517 1 1 52 ASP CG C 5.679 7.836 5.906 1.00 . A A . 52 ASP CG 1 1 13 12518 1 1 52 ASP H H 3.436 6.922 4.223 1.00 . A A . 52 ASP H 1 1 13 12519 1 1 52 ASP HA H 6.088 7.426 3.328 1.00 . A A . 52 ASP HA 1 1 13 12520 1 1 52 ASP HB2 H 5.112 5.780 5.726 1.00 . A A . 52 ASP HB2 1 1 13 12521 1 1 52 ASP HB3 H 6.842 6.106 5.398 1.00 . A A . 52 ASP HB3 1 1 13 12522 1 1 52 ASP HD2 H 6.656 9.083 7.007 1.00 . A A . 52 ASP HD2 1 1 13 12523 1 1 52 ASP N N 4.100 6.938 3.483 1.00 . A A . 52 ASP N 1 1 13 12524 1 1 52 ASP O O 5.348 4.363 2.859 1.00 . A A . 52 ASP O 1 1 13 12525 1 1 52 ASP OD1 O 4.626 8.413 6.062 1.00 . A A . 52 ASP OD1 1 1 13 12526 1 1 52 ASP OD2 O 6.840 8.290 6.477 1.00 . A A . 52 ASP OD2 1 1 13 12527 1 1 53 THR C C 8.440 3.298 3.484 1.00 . A A . 53 THR C 1 1 13 12528 1 1 53 THR CA C 8.148 4.304 2.384 1.00 . A A . 53 THR CA 1 1 13 12529 1 1 53 THR CB C 9.492 4.735 1.785 1.00 . A A . 53 THR CB 1 1 13 12530 1 1 53 THR CG2 C 9.249 5.556 0.510 1.00 . A A . 53 THR CG2 1 1 13 12531 1 1 53 THR H H 7.847 6.246 3.052 1.00 . A A . 53 THR H 1 1 13 12532 1 1 53 THR HA H 7.588 3.789 1.623 1.00 . A A . 53 THR HA 1 1 13 12533 1 1 53 THR HB H 10.097 3.839 1.516 1.00 . A A . 53 THR HB 1 1 13 12534 1 1 53 THR HG1 H 11.162 5.546 2.344 1.00 . A A . 53 THR HG1 1 1 13 12535 1 1 53 THR HG21 H 8.554 6.401 0.694 1.00 . A A . 53 THR HG21 1 1 13 12536 1 1 53 THR HG22 H 8.818 4.914 -0.283 1.00 . A A . 53 THR HG22 1 1 13 12537 1 1 53 THR HG23 H 10.202 5.971 0.117 1.00 . A A . 53 THR HG23 1 1 13 12538 1 1 53 THR N N 7.340 5.409 2.842 1.00 . A A . 53 THR N 1 1 13 12539 1 1 53 THR O O 8.522 3.610 4.671 1.00 . A A . 53 THR O 1 1 13 12540 1 1 53 THR OG1 O 10.250 5.562 2.668 1.00 . A A . 53 THR OG1 1 1 13 12541 1 1 54 HIS C C 10.019 0.129 3.056 1.00 . A A . 54 HIS C 1 1 13 12542 1 1 54 HIS CA C 9.230 1.047 3.969 1.00 . A A . 54 HIS CA 1 1 13 12543 1 1 54 HIS CB C 8.224 0.324 4.902 1.00 . A A . 54 HIS CB 1 1 13 12544 1 1 54 HIS CD2 C 8.412 1.846 7.024 1.00 . A A . 54 HIS CD2 1 1 13 12545 1 1 54 HIS CE1 C 6.286 1.863 7.511 1.00 . A A . 54 HIS CE1 1 1 13 12546 1 1 54 HIS CG C 7.752 1.159 6.059 1.00 . A A . 54 HIS CG 1 1 13 12547 1 1 54 HIS H H 8.578 1.774 2.131 1.00 . A A . 54 HIS H 1 1 13 12548 1 1 54 HIS HA H 9.980 1.541 4.564 1.00 . A A . 54 HIS HA 1 1 13 12549 1 1 54 HIS HB2 H 7.309 0.011 4.351 1.00 . A A . 54 HIS HB2 1 1 13 12550 1 1 54 HIS HB3 H 8.688 -0.563 5.377 1.00 . A A . 54 HIS HB3 1 1 13 12551 1 1 54 HIS HD1 H 5.705 0.695 5.905 1.00 . A A . 54 HIS HD1 1 1 13 12552 1 1 54 HIS HD2 H 9.473 2.024 7.168 1.00 . A A . 54 HIS HD2 1 1 13 12553 1 1 54 HIS HE1 H 5.353 2.009 8.001 1.00 . A A . 54 HIS HE1 1 1 13 12554 1 1 54 HIS HE2 H 7.650 2.810 8.755 1.00 . A A . 54 HIS HE2 1 1 13 12555 1 1 54 HIS N N 8.631 2.026 3.097 1.00 . A A . 54 HIS N 1 1 13 12556 1 1 54 HIS ND1 N 6.430 1.178 6.393 1.00 . A A . 54 HIS ND1 1 1 13 12557 1 1 54 HIS NE2 N 7.470 2.289 7.918 1.00 . A A . 54 HIS NE2 1 1 13 12558 1 1 54 HIS O O 11.015 0.572 2.474 1.00 . A A . 54 HIS O 1 1 13 12559 1 1 55 LYS C C 9.630 -2.983 1.218 1.00 . A A . 55 LYS C 1 1 13 12560 1 1 55 LYS CA C 10.436 -2.086 2.148 1.00 . A A . 55 LYS CA 1 1 13 12561 1 1 55 LYS CB C 11.297 -2.890 3.162 1.00 . A A . 55 LYS CB 1 1 13 12562 1 1 55 LYS CD C 11.409 -4.249 5.342 1.00 . A A . 55 LYS CD 1 1 13 12563 1 1 55 LYS CE C 10.557 -4.956 6.400 1.00 . A A . 55 LYS CE 1 1 13 12564 1 1 55 LYS CG C 10.541 -3.416 4.395 1.00 . A A . 55 LYS CG 1 1 13 12565 1 1 55 LYS H H 8.808 -1.559 3.271 1.00 . A A . 55 LYS H 1 1 13 12566 1 1 55 LYS HA H 11.097 -1.554 1.484 1.00 . A A . 55 LYS HA 1 1 13 12567 1 1 55 LYS HB2 H 11.801 -3.727 2.646 1.00 . A A . 55 LYS HB2 1 1 13 12568 1 1 55 LYS HB3 H 12.081 -2.203 3.542 1.00 . A A . 55 LYS HB3 1 1 13 12569 1 1 55 LYS HD2 H 11.957 -5.014 4.754 1.00 . A A . 55 LYS HD2 1 1 13 12570 1 1 55 LYS HD3 H 12.149 -3.585 5.835 1.00 . A A . 55 LYS HD3 1 1 13 12571 1 1 55 LYS HE2 H 9.973 -4.219 6.994 1.00 . A A . 55 LYS HE2 1 1 13 12572 1 1 55 LYS HE3 H 9.854 -5.666 5.911 1.00 . A A . 55 LYS HE3 1 1 13 12573 1 1 55 LYS HG2 H 10.114 -2.568 4.979 1.00 . A A . 55 LYS HG2 1 1 13 12574 1 1 55 LYS HG3 H 9.681 -4.051 4.075 1.00 . A A . 55 LYS HG3 1 1 13 12575 1 1 55 LYS HZ1 H 10.816 -6.302 7.960 1.00 . A A . 55 LYS HZ1 1 1 13 12576 1 1 55 LYS HZ2 H 11.981 -5.064 7.903 1.00 . A A . 55 LYS HZ2 1 1 13 12577 1 1 55 LYS HZ3 H 12.046 -6.348 6.788 1.00 . A A . 55 LYS HZ3 1 1 13 12578 1 1 55 LYS N N 9.619 -1.143 2.868 1.00 . A A . 55 LYS N 1 1 13 12579 1 1 55 LYS NZ N 11.410 -5.723 7.328 1.00 . A A . 55 LYS NZ 1 1 13 12580 1 1 55 LYS O O 9.294 -2.610 0.103 1.00 . A A . 55 LYS O 1 1 13 12581 1 1 56 PHE C C 7.352 -5.027 0.315 1.00 . A A . 56 PHE C 1 1 13 12582 1 1 56 PHE CA C 8.825 -5.217 0.673 1.00 . A A . 56 PHE CA 1 1 13 12583 1 1 56 PHE CB C 9.103 -6.651 1.196 1.00 . A A . 56 PHE CB 1 1 13 12584 1 1 56 PHE CD1 C 9.696 -7.686 -1.023 1.00 . A A . 56 PHE CD1 1 1 13 12585 1 1 56 PHE CD2 C 7.922 -8.688 0.280 1.00 . A A . 56 PHE CD2 1 1 13 12586 1 1 56 PHE CE1 C 9.504 -8.644 -2.025 1.00 . A A . 56 PHE CE1 1 1 13 12587 1 1 56 PHE CE2 C 7.727 -9.647 -0.721 1.00 . A A . 56 PHE CE2 1 1 13 12588 1 1 56 PHE CG C 8.903 -7.696 0.135 1.00 . A A . 56 PHE CG 1 1 13 12589 1 1 56 PHE CZ C 8.519 -9.627 -1.875 1.00 . A A . 56 PHE CZ 1 1 13 12590 1 1 56 PHE H H 9.496 -4.502 2.550 1.00 . A A . 56 PHE H 1 1 13 12591 1 1 56 PHE HA H 9.391 -5.094 -0.240 1.00 . A A . 56 PHE HA 1 1 13 12592 1 1 56 PHE HB2 H 10.169 -6.725 1.499 1.00 . A A . 56 PHE HB2 1 1 13 12593 1 1 56 PHE HB3 H 8.462 -6.878 2.075 1.00 . A A . 56 PHE HB3 1 1 13 12594 1 1 56 PHE HD1 H 10.463 -6.935 -1.155 1.00 . A A . 56 PHE HD1 1 1 13 12595 1 1 56 PHE HD2 H 7.299 -8.710 1.162 1.00 . A A . 56 PHE HD2 1 1 13 12596 1 1 56 PHE HE1 H 10.129 -8.620 -2.907 1.00 . A A . 56 PHE HE1 1 1 13 12597 1 1 56 PHE HE2 H 6.959 -10.397 -0.593 1.00 . A A . 56 PHE HE2 1 1 13 12598 1 1 56 PHE HZ H 8.371 -10.366 -2.649 1.00 . A A . 56 PHE HZ 1 1 13 12599 1 1 56 PHE N N 9.324 -4.226 1.608 1.00 . A A . 56 PHE N 1 1 13 12600 1 1 56 PHE O O 6.506 -4.696 1.141 1.00 . A A . 56 PHE O 1 1 13 12601 1 1 57 CYS C C 4.878 -6.362 -1.322 1.00 . A A . 57 CYS C 1 1 13 12602 1 1 57 CYS CA C 5.661 -5.071 -1.456 1.00 . A A . 57 CYS CA 1 1 13 12603 1 1 57 CYS CB C 5.604 -4.591 -2.934 1.00 . A A . 57 CYS CB 1 1 13 12604 1 1 57 CYS H H 7.711 -5.496 -1.620 1.00 . A A . 57 CYS H 1 1 13 12605 1 1 57 CYS HA H 5.159 -4.322 -0.858 1.00 . A A . 57 CYS HA 1 1 13 12606 1 1 57 CYS HB2 H 6.127 -3.613 -2.987 1.00 . A A . 57 CYS HB2 1 1 13 12607 1 1 57 CYS HB3 H 6.167 -5.308 -3.568 1.00 . A A . 57 CYS HB3 1 1 13 12608 1 1 57 CYS N N 7.015 -5.218 -0.971 1.00 . A A . 57 CYS N 1 1 13 12609 1 1 57 CYS O O 5.197 -7.396 -1.910 1.00 . A A . 57 CYS O 1 1 13 12610 1 1 57 CYS SG S 3.906 -4.419 -3.599 1.00 . A A . 57 CYS SG 1 1 13 12611 1 1 58 TYR C C 1.843 -7.124 -1.736 1.00 . A A . 58 TYR C 1 1 13 12612 1 1 58 TYR CA C 2.772 -7.341 -0.573 1.00 . A A . 58 TYR CA 1 1 13 12613 1 1 58 TYR CB C 2.001 -7.345 0.754 1.00 . A A . 58 TYR CB 1 1 13 12614 1 1 58 TYR CD1 C 0.364 -9.248 0.330 1.00 . A A . 58 TYR CD1 1 1 13 12615 1 1 58 TYR CD2 C 1.821 -9.378 2.241 1.00 . A A . 58 TYR CD2 1 1 13 12616 1 1 58 TYR CE1 C -0.263 -10.439 0.712 1.00 . A A . 58 TYR CE1 1 1 13 12617 1 1 58 TYR CE2 C 1.201 -10.571 2.625 1.00 . A A . 58 TYR CE2 1 1 13 12618 1 1 58 TYR CG C 1.400 -8.688 1.095 1.00 . A A . 58 TYR CG 1 1 13 12619 1 1 58 TYR CZ C 0.137 -11.092 1.881 1.00 . A A . 58 TYR CZ 1 1 13 12620 1 1 58 TYR H H 3.546 -5.471 -0.059 1.00 . A A . 58 TYR H 1 1 13 12621 1 1 58 TYR HA H 3.246 -8.306 -0.684 1.00 . A A . 58 TYR HA 1 1 13 12622 1 1 58 TYR HB2 H 2.736 -7.089 1.540 1.00 . A A . 58 TYR HB2 1 1 13 12623 1 1 58 TYR HB3 H 1.196 -6.584 0.749 1.00 . A A . 58 TYR HB3 1 1 13 12624 1 1 58 TYR HD1 H 0.007 -8.744 -0.542 1.00 . A A . 58 TYR HD1 1 1 13 12625 1 1 58 TYR HD2 H 2.587 -8.976 2.884 1.00 . A A . 58 TYR HD2 1 1 13 12626 1 1 58 TYR HE1 H -1.076 -10.812 0.113 1.00 . A A . 58 TYR HE1 1 1 13 12627 1 1 58 TYR HE2 H 1.542 -11.020 3.540 1.00 . A A . 58 TYR HE2 1 1 13 12628 1 1 58 TYR HH H -1.227 -12.449 1.643 1.00 . A A . 58 TYR HH 1 1 13 12629 1 1 58 TYR N N 3.763 -6.294 -0.576 1.00 . A A . 58 TYR N 1 1 13 12630 1 1 58 TYR O O 1.236 -6.072 -1.899 1.00 . A A . 58 TYR O 1 1 13 12631 1 1 58 TYR OH O -0.574 -12.228 2.324 1.00 . A A . 58 TYR OH 1 1 13 12632 1 1 59 LYS C C -0.603 -7.939 -3.469 1.00 . A A . 59 LYS C 1 1 13 12633 1 1 59 LYS CA C 0.870 -8.273 -3.716 1.00 . A A . 59 LYS CA 1 1 13 12634 1 1 59 LYS CB C 0.995 -9.697 -4.312 1.00 . A A . 59 LYS CB 1 1 13 12635 1 1 59 LYS CD C 2.535 -11.459 -5.333 1.00 . A A . 59 LYS CD 1 1 13 12636 1 1 59 LYS CE C 3.952 -11.764 -5.830 1.00 . A A . 59 LYS CE 1 1 13 12637 1 1 59 LYS CG C 2.379 -9.990 -4.914 1.00 . A A . 59 LYS CG 1 1 13 12638 1 1 59 LYS H H 2.289 -8.947 -2.326 1.00 . A A . 59 LYS H 1 1 13 12639 1 1 59 LYS HA H 1.206 -7.557 -4.445 1.00 . A A . 59 LYS HA 1 1 13 12640 1 1 59 LYS HB2 H 0.784 -10.432 -3.506 1.00 . A A . 59 LYS HB2 1 1 13 12641 1 1 59 LYS HB3 H 0.237 -9.847 -5.108 1.00 . A A . 59 LYS HB3 1 1 13 12642 1 1 59 LYS HD2 H 2.314 -12.109 -4.456 1.00 . A A . 59 LYS HD2 1 1 13 12643 1 1 59 LYS HD3 H 1.799 -11.701 -6.131 1.00 . A A . 59 LYS HD3 1 1 13 12644 1 1 59 LYS HE2 H 4.178 -11.193 -6.754 1.00 . A A . 59 LYS HE2 1 1 13 12645 1 1 59 LYS HE3 H 4.695 -11.506 -5.044 1.00 . A A . 59 LYS HE3 1 1 13 12646 1 1 59 LYS HG2 H 2.547 -9.340 -5.802 1.00 . A A . 59 LYS HG2 1 1 13 12647 1 1 59 LYS HG3 H 3.193 -9.761 -4.193 1.00 . A A . 59 LYS HG3 1 1 13 12648 1 1 59 LYS HZ1 H 3.425 -13.478 -6.876 1.00 . A A . 59 LYS HZ1 1 1 13 12649 1 1 59 LYS HZ2 H 3.917 -13.758 -5.273 1.00 . A A . 59 LYS HZ2 1 1 13 12650 1 1 59 LYS HZ3 H 5.071 -13.391 -6.462 1.00 . A A . 59 LYS HZ3 1 1 13 12651 1 1 59 LYS N N 1.741 -8.158 -2.569 1.00 . A A . 59 LYS N 1 1 13 12652 1 1 59 LYS NZ N 4.101 -13.202 -6.135 1.00 . A A . 59 LYS NZ 1 1 13 12653 1 1 59 LYS O O -1.107 -7.810 -2.354 1.00 . A A . 59 LYS O 1 1 13 12654 1 1 60 ALA C C -3.483 -8.871 -3.942 1.00 . A A . 60 ALA C 1 1 13 12655 1 1 60 ALA CA C -2.792 -7.617 -4.467 1.00 . A A . 60 ALA CA 1 1 13 12656 1 1 60 ALA CB C -3.311 -7.181 -5.832 1.00 . A A . 60 ALA CB 1 1 13 12657 1 1 60 ALA H H -0.966 -7.782 -5.472 1.00 . A A . 60 ALA H 1 1 13 12658 1 1 60 ALA HA H -2.970 -6.824 -3.753 1.00 . A A . 60 ALA HA 1 1 13 12659 1 1 60 ALA HB1 H -4.390 -6.926 -5.781 1.00 . A A . 60 ALA HB1 1 1 13 12660 1 1 60 ALA HB2 H -3.158 -7.996 -6.572 1.00 . A A . 60 ALA HB2 1 1 13 12661 1 1 60 ALA HB3 H -2.738 -6.296 -6.182 1.00 . A A . 60 ALA HB3 1 1 13 12662 1 1 60 ALA N N -1.372 -7.797 -4.558 1.00 . A A . 60 ALA N 1 1 13 12663 1 1 60 ALA O O -3.447 -9.959 -4.513 1.00 . A A . 60 ALA O 1 1 13 12664 1 1 61 CYS C C -5.730 -10.420 -1.965 1.00 . A A . 61 CYS C 1 1 13 12665 1 1 61 CYS CA C -4.330 -9.853 -1.853 1.00 . A A . 61 CYS CA 1 1 13 12666 1 1 61 CYS CB C -3.995 -9.443 -0.396 1.00 . A A . 61 CYS CB 1 1 13 12667 1 1 61 CYS H H -3.981 -7.844 -2.306 1.00 . A A . 61 CYS H 1 1 13 12668 1 1 61 CYS HA H -3.668 -10.653 -2.136 1.00 . A A . 61 CYS HA 1 1 13 12669 1 1 61 CYS HB2 H -3.890 -10.355 0.227 1.00 . A A . 61 CYS HB2 1 1 13 12670 1 1 61 CYS HB3 H -2.994 -8.955 -0.419 1.00 . A A . 61 CYS HB3 1 1 13 12671 1 1 61 CYS N N -4.055 -8.734 -2.735 1.00 . A A . 61 CYS N 1 1 13 12672 1 1 61 CYS O O -6.276 -10.978 -1.019 1.00 . A A . 61 CYS O 1 1 13 12673 1 1 61 CYS SG S -5.178 -8.300 0.396 1.00 . A A . 61 CYS SG 1 1 13 12674 1 1 62 HIS C C -7.721 -12.369 -3.327 1.00 . A A . 62 HIS C 1 1 13 12675 1 1 62 HIS CA C -7.710 -10.850 -3.337 1.00 . A A . 62 HIS CA 1 1 13 12676 1 1 62 HIS CB C -8.393 -10.362 -4.631 1.00 . A A . 62 HIS CB 1 1 13 12677 1 1 62 HIS CD2 C -7.584 -7.882 -4.430 1.00 . A A . 62 HIS CD2 1 1 13 12678 1 1 62 HIS CE1 C -9.164 -6.981 -5.636 1.00 . A A . 62 HIS CE1 1 1 13 12679 1 1 62 HIS CG C -8.438 -8.865 -4.805 1.00 . A A . 62 HIS CG 1 1 13 12680 1 1 62 HIS H H -5.842 -9.950 -3.925 1.00 . A A . 62 HIS H 1 1 13 12681 1 1 62 HIS HA H -8.311 -10.518 -2.502 1.00 . A A . 62 HIS HA 1 1 13 12682 1 1 62 HIS HB2 H -7.899 -10.795 -5.522 1.00 . A A . 62 HIS HB2 1 1 13 12683 1 1 62 HIS HB3 H -9.439 -10.723 -4.646 1.00 . A A . 62 HIS HB3 1 1 13 12684 1 1 62 HIS HD1 H -10.169 -8.753 -6.011 1.00 . A A . 62 HIS HD1 1 1 13 12685 1 1 62 HIS HD2 H -6.664 -7.933 -3.860 1.00 . A A . 62 HIS HD2 1 1 13 12686 1 1 62 HIS HE1 H -9.765 -6.275 -6.165 1.00 . A A . 62 HIS HE1 1 1 13 12687 1 1 62 HIS HE2 H -7.621 -5.813 -4.887 1.00 . A A . 62 HIS HE2 1 1 13 12688 1 1 62 HIS N N -6.354 -10.334 -3.155 1.00 . A A . 62 HIS N 1 1 13 12689 1 1 62 HIS ND1 N -9.410 -8.277 -5.563 1.00 . A A . 62 HIS ND1 1 1 13 12690 1 1 62 HIS NE2 N -8.061 -6.712 -4.955 1.00 . A A . 62 HIS NE2 1 1 13 12691 1 1 62 HIS O O -8.606 -13.016 -2.780 1.00 . A A . 62 HIS O 1 1 13 12692 1 1 63 ASN C C -5.926 -14.729 -2.382 1.00 . A A . 63 ASN C 1 1 13 12693 1 1 63 ASN CA C -6.273 -14.342 -3.817 1.00 . A A . 63 ASN CA 1 1 13 12694 1 1 63 ASN CB C -5.068 -14.608 -4.781 1.00 . A A . 63 ASN CB 1 1 13 12695 1 1 63 ASN CG C -4.188 -13.366 -4.939 1.00 . A A . 63 ASN CG 1 1 13 12696 1 1 63 ASN H H -5.970 -12.401 -4.342 1.00 . A A . 63 ASN H 1 1 13 12697 1 1 63 ASN HA H -7.109 -14.943 -4.115 1.00 . A A . 63 ASN HA 1 1 13 12698 1 1 63 ASN HB2 H -4.443 -15.441 -4.418 1.00 . A A . 63 ASN HB2 1 1 13 12699 1 1 63 ASN HB3 H -5.478 -14.914 -5.756 1.00 . A A . 63 ASN HB3 1 1 13 12700 1 1 63 ASN HD21 H -4.920 -12.871 -6.824 1.00 . A A . 63 ASN HD21 1 1 13 12701 1 1 63 ASN HD22 H -3.920 -11.691 -6.079 1.00 . A A . 63 ASN HD22 1 1 13 12702 1 1 63 ASN N N -6.658 -12.957 -3.897 1.00 . A A . 63 ASN N 1 1 13 12703 1 1 63 ASN ND2 N -4.347 -12.592 -6.046 1.00 . A A . 63 ASN ND2 1 1 13 12704 1 1 63 ASN O O -6.646 -15.459 -1.701 1.00 . A A . 63 ASN O 1 1 13 12705 1 1 63 ASN OD1 O -3.435 -13.026 -4.018 1.00 . A A . 63 ASN OD1 1 1 13 12706 1 1 64 SER C C -4.052 -13.634 0.370 1.00 . A A . 64 SER C 1 1 13 12707 1 1 64 SER CA C -4.112 -14.697 -0.714 1.00 . A A . 64 SER CA 1 1 13 12708 1 1 64 SER CB C -2.691 -15.174 -1.088 1.00 . A A . 64 SER CB 1 1 13 12709 1 1 64 SER H H -4.263 -13.660 -2.569 1.00 . A A . 64 SER H 1 1 13 12710 1 1 64 SER HA H -4.665 -15.530 -0.304 1.00 . A A . 64 SER HA 1 1 13 12711 1 1 64 SER HB2 H -2.759 -15.749 -2.038 1.00 . A A . 64 SER HB2 1 1 13 12712 1 1 64 SER HB3 H -2.039 -14.294 -1.296 1.00 . A A . 64 SER HB3 1 1 13 12713 1 1 64 SER HG H -2.625 -16.837 -0.088 1.00 . A A . 64 SER HG 1 1 13 12714 1 1 64 SER N N -4.770 -14.248 -1.924 1.00 . A A . 64 SER N 1 1 13 12715 1 1 64 SER O O -2.985 -13.167 0.766 1.00 . A A . 64 SER O 1 1 13 12716 1 1 64 SER OG O -2.116 -16.014 -0.084 1.00 . A A . 64 SER OG 1 1 13 12717 1 1 65 GLU C C -4.727 -12.880 3.359 1.00 . A A . 65 GLU C 1 1 13 12718 1 1 65 GLU CA C -5.368 -12.383 2.082 1.00 . A A . 65 GLU CA 1 1 13 12719 1 1 65 GLU CB C -6.798 -11.849 2.329 1.00 . A A . 65 GLU CB 1 1 13 12720 1 1 65 GLU CD C -8.990 -11.979 3.548 1.00 . A A . 65 GLU CD 1 1 13 12721 1 1 65 GLU CG C -7.767 -12.773 3.102 1.00 . A A . 65 GLU CG 1 1 13 12722 1 1 65 GLU H H -6.078 -13.523 0.478 1.00 . A A . 65 GLU H 1 1 13 12723 1 1 65 GLU HA H -4.787 -11.509 1.847 1.00 . A A . 65 GLU HA 1 1 13 12724 1 1 65 GLU HB2 H -6.689 -10.898 2.901 1.00 . A A . 65 GLU HB2 1 1 13 12725 1 1 65 GLU HB3 H -7.239 -11.571 1.349 1.00 . A A . 65 GLU HB3 1 1 13 12726 1 1 65 GLU HE2 H -10.680 -11.344 2.884 1.00 . A A . 65 GLU HE2 1 1 13 12727 1 1 65 GLU HG2 H -8.092 -13.640 2.493 1.00 . A A . 65 GLU HG2 1 1 13 12728 1 1 65 GLU HG3 H -7.295 -13.157 4.032 1.00 . A A . 65 GLU HG3 1 1 13 12729 1 1 65 GLU N N -5.227 -13.224 0.895 1.00 . A A . 65 GLU N 1 1 13 12730 1 1 65 GLU O O -4.456 -12.110 4.274 1.00 . A A . 65 GLU O 1 1 13 12731 1 1 65 GLU OE1 O -9.119 -11.419 4.621 1.00 . A A . 65 GLU OE1 1 1 13 12732 1 1 65 GLU OE2 O -9.948 -11.901 2.580 1.00 . A A . 65 GLU OE2 1 1 13 12733 1 1 66 ILE C C -3.165 -16.169 3.963 1.00 . A A . 66 ILE C 1 1 13 12734 1 1 66 ILE CA C -3.709 -14.838 4.462 1.00 . A A . 66 ILE CA 1 1 13 12735 1 1 66 ILE CB C -4.411 -14.929 5.815 1.00 . A A . 66 ILE CB 1 1 13 12736 1 1 66 ILE CD1 C -3.979 -15.550 8.287 1.00 . A A . 66 ILE CD1 1 1 13 12737 1 1 66 ILE CG1 C -3.510 -15.662 6.834 1.00 . A A . 66 ILE CG1 1 1 13 12738 1 1 66 ILE CG2 C -5.849 -15.490 5.746 1.00 . A A . 66 ILE CG2 1 1 13 12739 1 1 66 ILE H H -4.801 -14.736 2.672 1.00 . A A . 66 ILE H 1 1 13 12740 1 1 66 ILE HA H -2.833 -14.242 4.624 1.00 . A A . 66 ILE HA 1 1 13 12741 1 1 66 ILE HB H -4.520 -13.873 6.154 1.00 . A A . 66 ILE HB 1 1 13 12742 1 1 66 ILE HD11 H -4.984 -16.007 8.411 1.00 . A A . 66 ILE HD11 1 1 13 12743 1 1 66 ILE HD12 H -4.032 -14.486 8.607 1.00 . A A . 66 ILE HD12 1 1 13 12744 1 1 66 ILE HD13 H -3.274 -16.075 8.968 1.00 . A A . 66 ILE HD13 1 1 13 12745 1 1 66 ILE HG12 H -3.453 -16.737 6.555 1.00 . A A . 66 ILE HG12 1 1 13 12746 1 1 66 ILE HG13 H -2.484 -15.234 6.744 1.00 . A A . 66 ILE HG13 1 1 13 12747 1 1 66 ILE HG21 H -6.431 -15.010 4.933 1.00 . A A . 66 ILE HG21 1 1 13 12748 1 1 66 ILE HG22 H -6.370 -15.265 6.700 1.00 . A A . 66 ILE HG22 1 1 13 12749 1 1 66 ILE HG23 H -5.859 -16.591 5.621 1.00 . A A . 66 ILE HG23 1 1 13 12750 1 1 66 ILE N N -4.473 -14.191 3.423 1.00 . A A . 66 ILE N 1 1 13 12751 1 1 66 ILE O O -1.972 -16.314 3.724 1.00 . A A . 66 ILE O 1 1 13 12752 1 1 67 GLU C C -4.817 -19.023 2.442 1.00 . A A . 67 GLU C 1 1 13 12753 1 1 67 GLU CA C -3.597 -18.434 3.170 1.00 . A A . 67 GLU CA 1 1 13 12754 1 1 67 GLU CB C -3.096 -19.390 4.282 1.00 . A A . 67 GLU CB 1 1 13 12755 1 1 67 GLU CD C -3.521 -20.349 6.579 1.00 . A A . 67 GLU CD 1 1 13 12756 1 1 67 GLU CG C -4.156 -19.689 5.366 1.00 . A A . 67 GLU CG 1 1 13 12757 1 1 67 GLU H H -5.019 -17.126 3.794 1.00 . A A . 67 GLU H 1 1 13 12758 1 1 67 GLU HA H -2.828 -18.271 2.428 1.00 . A A . 67 GLU HA 1 1 13 12759 1 1 67 GLU HB2 H -2.757 -20.341 3.817 1.00 . A A . 67 GLU HB2 1 1 13 12760 1 1 67 GLU HB3 H -2.209 -18.905 4.752 1.00 . A A . 67 GLU HB3 1 1 13 12761 1 1 67 GLU HE2 H -3.544 -20.292 8.481 1.00 . A A . 67 GLU HE2 1 1 13 12762 1 1 67 GLU HG2 H -4.643 -18.745 5.688 1.00 . A A . 67 GLU HG2 1 1 13 12763 1 1 67 GLU HG3 H -4.938 -20.359 4.950 1.00 . A A . 67 GLU HG3 1 1 13 12764 1 1 67 GLU N N -4.022 -17.168 3.703 1.00 . A A . 67 GLU N 1 1 13 12765 1 1 67 GLU O O -5.964 -18.641 2.810 1.00 . A A . 67 GLU O 1 1 13 12766 1 1 67 GLU OXT O -4.612 -19.826 1.494 1.00 . A A . 67 GLU OXT 1 1 13 12767 1 1 67 GLU OE1 O -2.676 -21.224 6.587 1.00 . A A . 67 GLU OE1 1 1 13 12768 1 1 67 GLU OE2 O -3.988 -19.835 7.769 1.00 . A A . 67 GLU OE2 1 1 13 12769 2 2 1 CL CL CL -0.899 7.408 -5.069 1.00 . B A . 68 CL CL 1 1 13 12770 3 2 1 CL CL CL -7.040 3.115 8.633 1.00 . C A . 69 CL CL 1 1 13 12771 4 2 1 CL CL CL 11.476 -9.264 6.485 1.00 . D A . 70 CL CL 1 1 13 12772 5 2 1 CL CL CL 7.086 -3.169 5.684 1.00 . E A . 71 CL CL 1 1 13 12773 6 2 1 CL CL CL 2.847 -5.486 10.188 1.00 . F A . 72 CL CL 1 1 13 12774 7 2 1 CL CL CL -1.124 8.723 10.843 1.00 . G A . 73 CL CL 1 1 13 12775 8 2 1 CL CL CL 11.260 -3.334 -8.914 1.00 . H A . 74 CL CL 1 1 13 12776 9 2 1 CL CL CL -5.857 -9.421 -7.025 1.00 . I A . 75 CL CL 1 1 13 12777 10 2 1 CL CL CL -4.485 -2.881 10.715 1.00 . J A . 76 CL CL 1 1 13 12778 11 2 1 CL CL CL 2.810 -9.337 5.971 1.00 . K A . 77 CL CL 1 1 13 12779 12 2 1 CL CL CL -2.461 15.060 5.862 1.00 . L A . 78 CL CL 1 1 14 12780 1 1 1 GLY C C 1.927 -18.228 10.423 1.00 . A A . 1 GLY C 1 1 14 12781 1 1 1 GLY CA C 2.282 -18.987 9.186 1.00 . A A . 1 GLY CA 1 1 14 12782 1 1 1 GLY H1 H 3.788 -20.137 10.051 1.00 . A A . 1 GLY H1 1 1 14 12783 1 1 1 GLY H2 H 3.150 -20.783 8.616 1.00 . A A . 1 GLY H2 1 1 14 12784 1 1 1 GLY H3 H 2.256 -20.876 10.058 1.00 . A A . 1 GLY H3 1 1 14 12785 1 1 1 GLY HA2 H 3.005 -18.424 8.618 1.00 . A A . 1 GLY HA2 1 1 14 12786 1 1 1 GLY HA3 H 1.376 -19.206 8.640 1.00 . A A . 1 GLY HA3 1 1 14 12787 1 1 1 GLY N N 2.916 -20.292 9.504 1.00 . A A . 1 GLY N 1 1 14 12788 1 1 1 GLY O O 1.181 -18.712 11.273 1.00 . A A . 1 GLY O 1 1 14 12789 1 1 2 ASP C C 2.496 -14.727 11.313 1.00 . A A . 2 ASP C 1 1 14 12790 1 1 2 ASP CA C 2.258 -16.162 11.742 1.00 . A A . 2 ASP CA 1 1 14 12791 1 1 2 ASP CB C 3.306 -16.446 12.859 1.00 . A A . 2 ASP CB 1 1 14 12792 1 1 2 ASP CG C 3.231 -17.868 13.359 1.00 . A A . 2 ASP CG 1 1 14 12793 1 1 2 ASP H H 3.089 -16.651 9.870 1.00 . A A . 2 ASP H 1 1 14 12794 1 1 2 ASP HA H 1.244 -16.250 12.115 1.00 . A A . 2 ASP HA 1 1 14 12795 1 1 2 ASP HB2 H 4.335 -16.257 12.490 1.00 . A A . 2 ASP HB2 1 1 14 12796 1 1 2 ASP HB3 H 3.122 -15.783 13.727 1.00 . A A . 2 ASP HB3 1 1 14 12797 1 1 2 ASP HD2 H 4.070 -19.582 13.105 1.00 . A A . 2 ASP HD2 1 1 14 12798 1 1 2 ASP N N 2.437 -16.994 10.566 1.00 . A A . 2 ASP N 1 1 14 12799 1 1 2 ASP O O 3.639 -14.301 11.172 1.00 . A A . 2 ASP O 1 1 14 12800 1 1 2 ASP OD1 O 2.466 -18.297 14.200 1.00 . A A . 2 ASP OD1 1 1 14 12801 1 1 2 ASP OD2 O 4.149 -18.689 12.750 1.00 . A A . 2 ASP OD2 1 1 14 12802 1 1 3 ASP C C 1.860 -12.702 9.012 1.00 . A A . 3 ASP C 1 1 14 12803 1 1 3 ASP CA C 1.420 -12.641 10.466 1.00 . A A . 3 ASP CA 1 1 14 12804 1 1 3 ASP CB C 2.198 -11.562 11.241 1.00 . A A . 3 ASP CB 1 1 14 12805 1 1 3 ASP CG C 1.692 -11.499 12.660 1.00 . A A . 3 ASP CG 1 1 14 12806 1 1 3 ASP H H 0.501 -14.352 11.195 1.00 . A A . 3 ASP H 1 1 14 12807 1 1 3 ASP HA H 0.388 -12.329 10.438 1.00 . A A . 3 ASP HA 1 1 14 12808 1 1 3 ASP HB2 H 3.277 -11.786 11.219 1.00 . A A . 3 ASP HB2 1 1 14 12809 1 1 3 ASP HB3 H 2.025 -10.576 10.772 1.00 . A A . 3 ASP HB3 1 1 14 12810 1 1 3 ASP HD2 H 2.301 -11.543 14.477 1.00 . A A . 3 ASP HD2 1 1 14 12811 1 1 3 ASP N N 1.412 -13.961 11.070 1.00 . A A . 3 ASP N 1 1 14 12812 1 1 3 ASP O O 3.003 -12.421 8.658 1.00 . A A . 3 ASP O 1 1 14 12813 1 1 3 ASP OD1 O 0.521 -11.410 12.987 1.00 . A A . 3 ASP OD1 1 1 14 12814 1 1 3 ASP OD2 O 2.695 -11.536 13.591 1.00 . A A . 3 ASP OD2 1 1 14 12815 1 1 4 VAL C C 0.380 -12.421 5.826 1.00 . A A . 4 VAL C 1 1 14 12816 1 1 4 VAL CA C 1.128 -13.379 6.740 1.00 . A A . 4 VAL CA 1 1 14 12817 1 1 4 VAL CB C 0.766 -14.806 6.351 1.00 . A A . 4 VAL CB 1 1 14 12818 1 1 4 VAL CG1 C 1.776 -15.784 6.977 1.00 . A A . 4 VAL CG1 1 1 14 12819 1 1 4 VAL CG2 C -0.675 -15.185 6.731 1.00 . A A . 4 VAL CG2 1 1 14 12820 1 1 4 VAL H H 0.047 -13.397 8.547 1.00 . A A . 4 VAL H 1 1 14 12821 1 1 4 VAL HA H 2.168 -13.228 6.502 1.00 . A A . 4 VAL HA 1 1 14 12822 1 1 4 VAL HB H 0.844 -14.898 5.247 1.00 . A A . 4 VAL HB 1 1 14 12823 1 1 4 VAL HG11 H 1.565 -16.822 6.642 1.00 . A A . 4 VAL HG11 1 1 14 12824 1 1 4 VAL HG12 H 1.726 -15.756 8.084 1.00 . A A . 4 VAL HG12 1 1 14 12825 1 1 4 VAL HG13 H 2.812 -15.529 6.668 1.00 . A A . 4 VAL HG13 1 1 14 12826 1 1 4 VAL HG21 H -0.807 -15.238 7.827 1.00 . A A . 4 VAL HG21 1 1 14 12827 1 1 4 VAL HG22 H -0.904 -16.188 6.309 1.00 . A A . 4 VAL HG22 1 1 14 12828 1 1 4 VAL HG23 H -1.407 -14.471 6.301 1.00 . A A . 4 VAL HG23 1 1 14 12829 1 1 4 VAL N N 0.920 -13.130 8.157 1.00 . A A . 4 VAL N 1 1 14 12830 1 1 4 VAL O O 0.733 -12.254 4.660 1.00 . A A . 4 VAL O 1 1 14 12831 1 1 5 LYS C C -1.146 -9.397 6.247 1.00 . A A . 5 LYS C 1 1 14 12832 1 1 5 LYS CA C -1.426 -10.738 5.606 1.00 . A A . 5 LYS CA 1 1 14 12833 1 1 5 LYS CB C -2.933 -11.057 5.680 1.00 . A A . 5 LYS CB 1 1 14 12834 1 1 5 LYS CD C -3.944 -11.975 3.489 1.00 . A A . 5 LYS CD 1 1 14 12835 1 1 5 LYS CE C -2.960 -11.396 2.461 1.00 . A A . 5 LYS CE 1 1 14 12836 1 1 5 LYS CG C -3.346 -12.297 4.872 1.00 . A A . 5 LYS CG 1 1 14 12837 1 1 5 LYS H H -1.020 -11.940 7.233 1.00 . A A . 5 LYS H 1 1 14 12838 1 1 5 LYS HA H -1.086 -10.667 4.590 1.00 . A A . 5 LYS HA 1 1 14 12839 1 1 5 LYS HB2 H -3.184 -11.234 6.748 1.00 . A A . 5 LYS HB2 1 1 14 12840 1 1 5 LYS HB3 H -3.543 -10.193 5.340 1.00 . A A . 5 LYS HB3 1 1 14 12841 1 1 5 LYS HD2 H -4.384 -12.906 3.064 1.00 . A A . 5 LYS HD2 1 1 14 12842 1 1 5 LYS HD3 H -4.779 -11.253 3.642 1.00 . A A . 5 LYS HD3 1 1 14 12843 1 1 5 LYS HE2 H -2.393 -10.538 2.877 1.00 . A A . 5 LYS HE2 1 1 14 12844 1 1 5 LYS HE3 H -2.251 -12.176 2.117 1.00 . A A . 5 LYS HE3 1 1 14 12845 1 1 5 LYS HG2 H -2.487 -12.993 4.780 1.00 . A A . 5 LYS HG2 1 1 14 12846 1 1 5 LYS HG3 H -4.137 -12.824 5.454 1.00 . A A . 5 LYS HG3 1 1 14 12847 1 1 5 LYS HZ1 H -3.020 -10.550 0.564 1.00 . A A . 5 LYS HZ1 1 1 14 12848 1 1 5 LYS HZ2 H -4.299 -10.092 1.584 1.00 . A A . 5 LYS HZ2 1 1 14 12849 1 1 5 LYS HZ3 H -4.288 -11.636 0.882 1.00 . A A . 5 LYS HZ3 1 1 14 12850 1 1 5 LYS N N -0.682 -11.758 6.316 1.00 . A A . 5 LYS N 1 1 14 12851 1 1 5 LYS NZ N -3.693 -10.884 1.284 1.00 . A A . 5 LYS NZ 1 1 14 12852 1 1 5 LYS O O -2.004 -8.526 6.369 1.00 . A A . 5 LYS O 1 1 14 12853 1 1 6 SER C C 0.470 -6.745 6.681 1.00 . A A . 6 SER C 1 1 14 12854 1 1 6 SER CA C 0.603 -8.052 7.420 1.00 . A A . 6 SER CA 1 1 14 12855 1 1 6 SER CB C 2.099 -8.192 7.767 1.00 . A A . 6 SER CB 1 1 14 12856 1 1 6 SER H H 0.717 -10.004 6.646 1.00 . A A . 6 SER H 1 1 14 12857 1 1 6 SER HA H 0.026 -7.958 8.323 1.00 . A A . 6 SER HA 1 1 14 12858 1 1 6 SER HB2 H 2.712 -8.272 6.839 1.00 . A A . 6 SER HB2 1 1 14 12859 1 1 6 SER HB3 H 2.451 -7.305 8.343 1.00 . A A . 6 SER HB3 1 1 14 12860 1 1 6 SER HG H 3.258 -9.355 8.805 1.00 . A A . 6 SER HG 1 1 14 12861 1 1 6 SER N N 0.099 -9.223 6.709 1.00 . A A . 6 SER N 1 1 14 12862 1 1 6 SER O O 0.236 -5.693 7.269 1.00 . A A . 6 SER O 1 1 14 12863 1 1 6 SER OG O 2.313 -9.362 8.552 1.00 . A A . 6 SER OG 1 1 14 12864 1 1 7 ALA C C -0.229 -6.258 3.231 1.00 . A A . 7 ALA C 1 1 14 12865 1 1 7 ALA CA C 0.500 -5.723 4.441 1.00 . A A . 7 ALA CA 1 1 14 12866 1 1 7 ALA CB C 1.913 -5.244 4.058 1.00 . A A . 7 ALA CB 1 1 14 12867 1 1 7 ALA H H 0.823 -7.688 4.934 1.00 . A A . 7 ALA H 1 1 14 12868 1 1 7 ALA HA H -0.110 -4.933 4.861 1.00 . A A . 7 ALA HA 1 1 14 12869 1 1 7 ALA HB1 H 2.406 -4.821 4.961 1.00 . A A . 7 ALA HB1 1 1 14 12870 1 1 7 ALA HB2 H 1.880 -4.447 3.287 1.00 . A A . 7 ALA HB2 1 1 14 12871 1 1 7 ALA HB3 H 2.519 -6.099 3.686 1.00 . A A . 7 ALA HB3 1 1 14 12872 1 1 7 ALA N N 0.648 -6.811 5.362 1.00 . A A . 7 ALA N 1 1 14 12873 1 1 7 ALA O O -0.345 -7.471 3.054 1.00 . A A . 7 ALA O 1 1 14 12874 1 1 8 CYS C C -0.980 -4.733 0.006 1.00 . A A . 8 CYS C 1 1 14 12875 1 1 8 CYS CA C -1.237 -5.796 1.062 1.00 . A A . 8 CYS CA 1 1 14 12876 1 1 8 CYS CB C -2.725 -6.247 1.085 1.00 . A A . 8 CYS CB 1 1 14 12877 1 1 8 CYS H H -0.707 -4.397 2.563 1.00 . A A . 8 CYS H 1 1 14 12878 1 1 8 CYS HA H -0.663 -6.656 0.747 1.00 . A A . 8 CYS HA 1 1 14 12879 1 1 8 CYS HB2 H -2.905 -6.812 0.146 1.00 . A A . 8 CYS HB2 1 1 14 12880 1 1 8 CYS HB3 H -2.855 -6.963 1.926 1.00 . A A . 8 CYS HB3 1 1 14 12881 1 1 8 CYS N N -0.731 -5.378 2.355 1.00 . A A . 8 CYS N 1 1 14 12882 1 1 8 CYS O O -0.977 -3.535 0.271 1.00 . A A . 8 CYS O 1 1 14 12883 1 1 8 CYS SG S -3.972 -4.922 1.225 1.00 . A A . 8 CYS SG 1 1 14 12884 1 1 9 CYS C C -0.436 -4.689 -3.626 1.00 . A A . 9 CYS C 1 1 14 12885 1 1 9 CYS CA C -0.148 -4.225 -2.207 1.00 . A A . 9 CYS CA 1 1 14 12886 1 1 9 CYS CB C 1.383 -4.195 -1.978 1.00 . A A . 9 CYS CB 1 1 14 12887 1 1 9 CYS H H -0.634 -6.131 -1.469 1.00 . A A . 9 CYS H 1 1 14 12888 1 1 9 CYS HA H -0.580 -3.242 -2.069 1.00 . A A . 9 CYS HA 1 1 14 12889 1 1 9 CYS HB2 H 1.543 -4.198 -0.876 1.00 . A A . 9 CYS HB2 1 1 14 12890 1 1 9 CYS HB3 H 1.827 -5.144 -2.348 1.00 . A A . 9 CYS HB3 1 1 14 12891 1 1 9 CYS N N -0.693 -5.151 -1.242 1.00 . A A . 9 CYS N 1 1 14 12892 1 1 9 CYS O O 0.344 -5.411 -4.237 1.00 . A A . 9 CYS O 1 1 14 12893 1 1 9 CYS SG S 2.262 -2.755 -2.639 1.00 . A A . 9 CYS SG 1 1 14 12894 1 1 10 ASP C C -1.199 -4.267 -6.715 1.00 . A A . 10 ASP C 1 1 14 12895 1 1 10 ASP CA C -1.982 -4.797 -5.525 1.00 . A A . 10 ASP CA 1 1 14 12896 1 1 10 ASP CB C -3.464 -4.490 -5.795 1.00 . A A . 10 ASP CB 1 1 14 12897 1 1 10 ASP CG C -4.301 -5.265 -4.818 1.00 . A A . 10 ASP CG 1 1 14 12898 1 1 10 ASP H H -2.273 -3.751 -3.733 1.00 . A A . 10 ASP H 1 1 14 12899 1 1 10 ASP HA H -1.818 -5.864 -5.537 1.00 . A A . 10 ASP HA 1 1 14 12900 1 1 10 ASP HB2 H -3.650 -3.412 -5.671 1.00 . A A . 10 ASP HB2 1 1 14 12901 1 1 10 ASP HB3 H -3.764 -4.734 -6.824 1.00 . A A . 10 ASP HB3 1 1 14 12902 1 1 10 ASP HD2 H -3.959 -6.811 -5.980 1.00 . A A . 10 ASP HD2 1 1 14 12903 1 1 10 ASP N N -1.587 -4.296 -4.216 1.00 . A A . 10 ASP N 1 1 14 12904 1 1 10 ASP O O -1.089 -4.936 -7.738 1.00 . A A . 10 ASP O 1 1 14 12905 1 1 10 ASP OD1 O -4.748 -4.823 -3.783 1.00 . A A . 10 ASP OD1 1 1 14 12906 1 1 10 ASP OD2 O -4.416 -6.596 -5.149 1.00 . A A . 10 ASP OD2 1 1 14 12907 1 1 11 THR C C 0.925 -1.358 -7.038 1.00 . A A . 11 THR C 1 1 14 12908 1 1 11 THR CA C 0.015 -2.365 -7.686 1.00 . A A . 11 THR CA 1 1 14 12909 1 1 11 THR CB C -0.947 -1.577 -8.583 1.00 . A A . 11 THR CB 1 1 14 12910 1 1 11 THR CG2 C -0.214 -0.852 -9.720 1.00 . A A . 11 THR CG2 1 1 14 12911 1 1 11 THR H H -0.803 -2.537 -5.762 1.00 . A A . 11 THR H 1 1 14 12912 1 1 11 THR HA H 0.624 -3.051 -8.258 1.00 . A A . 11 THR HA 1 1 14 12913 1 1 11 THR HB H -1.506 -0.838 -7.961 1.00 . A A . 11 THR HB 1 1 14 12914 1 1 11 THR HG1 H -2.700 -2.439 -8.721 1.00 . A A . 11 THR HG1 1 1 14 12915 1 1 11 THR HG21 H 0.352 -1.578 -10.338 1.00 . A A . 11 THR HG21 1 1 14 12916 1 1 11 THR HG22 H 0.485 -0.081 -9.344 1.00 . A A . 11 THR HG22 1 1 14 12917 1 1 11 THR HG23 H -0.956 -0.346 -10.373 1.00 . A A . 11 THR HG23 1 1 14 12918 1 1 11 THR N N -0.638 -3.061 -6.592 1.00 . A A . 11 THR N 1 1 14 12919 1 1 11 THR O O 0.568 -0.668 -6.081 1.00 . A A . 11 THR O 1 1 14 12920 1 1 11 THR OG1 O -1.869 -2.443 -9.234 1.00 . A A . 11 THR OG1 1 1 14 12921 1 1 12 CYS C C 4.377 -0.192 -7.553 1.00 . A A . 12 CYS C 1 1 14 12922 1 1 12 CYS CA C 3.230 -0.692 -6.730 1.00 . A A . 12 CYS CA 1 1 14 12923 1 1 12 CYS CB C 3.737 -1.762 -5.739 1.00 . A A . 12 CYS CB 1 1 14 12924 1 1 12 CYS H H 2.491 -1.867 -8.241 1.00 . A A . 12 CYS H 1 1 14 12925 1 1 12 CYS HA H 2.884 0.167 -6.191 1.00 . A A . 12 CYS HA 1 1 14 12926 1 1 12 CYS HB2 H 4.464 -1.327 -5.018 1.00 . A A . 12 CYS HB2 1 1 14 12927 1 1 12 CYS HB3 H 2.828 -2.095 -5.193 1.00 . A A . 12 CYS HB3 1 1 14 12928 1 1 12 CYS N N 2.174 -1.267 -7.513 1.00 . A A . 12 CYS N 1 1 14 12929 1 1 12 CYS O O 4.473 -0.398 -8.761 1.00 . A A . 12 CYS O 1 1 14 12930 1 1 12 CYS SG S 4.421 -3.247 -6.532 1.00 . A A . 12 CYS SG 1 1 14 12931 1 1 13 LEU C C 7.446 1.333 -6.505 1.00 . A A . 13 LEU C 1 1 14 12932 1 1 13 LEU CA C 6.341 1.225 -7.523 1.00 . A A . 13 LEU CA 1 1 14 12933 1 1 13 LEU CB C 5.797 2.609 -7.936 1.00 . A A . 13 LEU CB 1 1 14 12934 1 1 13 LEU CD1 C 5.840 4.559 -9.496 1.00 . A A . 13 LEU CD1 1 1 14 12935 1 1 13 LEU CD2 C 7.825 4.211 -8.024 1.00 . A A . 13 LEU CD2 1 1 14 12936 1 1 13 LEU CG C 6.708 3.503 -8.802 1.00 . A A . 13 LEU CG 1 1 14 12937 1 1 13 LEU H H 5.109 0.756 -5.918 1.00 . A A . 13 LEU H 1 1 14 12938 1 1 13 LEU HA H 6.715 0.683 -8.378 1.00 . A A . 13 LEU HA 1 1 14 12939 1 1 13 LEU HB2 H 4.900 2.382 -8.554 1.00 . A A . 13 LEU HB2 1 1 14 12940 1 1 13 LEU HB3 H 5.436 3.160 -7.041 1.00 . A A . 13 LEU HB3 1 1 14 12941 1 1 13 LEU HD11 H 5.038 4.075 -10.091 1.00 . A A . 13 LEU HD11 1 1 14 12942 1 1 13 LEU HD12 H 6.455 5.189 -10.172 1.00 . A A . 13 LEU HD12 1 1 14 12943 1 1 13 LEU HD13 H 5.364 5.217 -8.738 1.00 . A A . 13 LEU HD13 1 1 14 12944 1 1 13 LEU HD21 H 7.389 4.786 -7.178 1.00 . A A . 13 LEU HD21 1 1 14 12945 1 1 13 LEU HD22 H 8.367 4.915 -8.691 1.00 . A A . 13 LEU HD22 1 1 14 12946 1 1 13 LEU HD23 H 8.560 3.487 -7.620 1.00 . A A . 13 LEU HD23 1 1 14 12947 1 1 13 LEU HG H 7.175 2.869 -9.593 1.00 . A A . 13 LEU HG 1 1 14 12948 1 1 13 LEU N N 5.290 0.501 -6.874 1.00 . A A . 13 LEU N 1 1 14 12949 1 1 13 LEU O O 7.349 1.993 -5.469 1.00 . A A . 13 LEU O 1 1 14 12950 1 1 14 CYS C C 10.735 1.550 -6.859 1.00 . A A . 14 CYS C 1 1 14 12951 1 1 14 CYS CA C 9.782 0.669 -6.096 1.00 . A A . 14 CYS CA 1 1 14 12952 1 1 14 CYS CB C 10.450 -0.696 -5.801 1.00 . A A . 14 CYS CB 1 1 14 12953 1 1 14 CYS H H 8.513 -0.047 -7.561 1.00 . A A . 14 CYS H 1 1 14 12954 1 1 14 CYS HA H 9.637 1.180 -5.167 1.00 . A A . 14 CYS HA 1 1 14 12955 1 1 14 CYS HB2 H 10.617 -1.219 -6.761 1.00 . A A . 14 CYS HB2 1 1 14 12956 1 1 14 CYS HB3 H 11.456 -0.514 -5.373 1.00 . A A . 14 CYS HB3 1 1 14 12957 1 1 14 CYS N N 8.513 0.556 -6.763 1.00 . A A . 14 CYS N 1 1 14 12958 1 1 14 CYS O O 10.801 1.527 -8.085 1.00 . A A . 14 CYS O 1 1 14 12959 1 1 14 CYS SG S 9.533 -1.805 -4.663 1.00 . A A . 14 CYS SG 1 1 14 12960 1 1 15 THR C C 13.844 2.273 -7.118 1.00 . A A . 15 THR C 1 1 14 12961 1 1 15 THR CA C 12.623 3.097 -6.780 1.00 . A A . 15 THR CA 1 1 14 12962 1 1 15 THR CB C 13.176 4.224 -5.920 1.00 . A A . 15 THR CB 1 1 14 12963 1 1 15 THR CG2 C 12.063 5.252 -5.684 1.00 . A A . 15 THR CG2 1 1 14 12964 1 1 15 THR H H 11.413 2.459 -5.160 1.00 . A A . 15 THR H 1 1 14 12965 1 1 15 THR HA H 12.255 3.544 -7.687 1.00 . A A . 15 THR HA 1 1 14 12966 1 1 15 THR HB H 14.015 4.730 -6.462 1.00 . A A . 15 THR HB 1 1 14 12967 1 1 15 THR HG1 H 14.217 2.997 -4.892 1.00 . A A . 15 THR HG1 1 1 14 12968 1 1 15 THR HG21 H 11.661 5.607 -6.658 1.00 . A A . 15 THR HG21 1 1 14 12969 1 1 15 THR HG22 H 12.462 6.123 -5.123 1.00 . A A . 15 THR HG22 1 1 14 12970 1 1 15 THR HG23 H 11.226 4.819 -5.101 1.00 . A A . 15 THR HG23 1 1 14 12971 1 1 15 THR N N 11.547 2.341 -6.150 1.00 . A A . 15 THR N 1 1 14 12972 1 1 15 THR O O 14.277 1.424 -6.342 1.00 . A A . 15 THR O 1 1 14 12973 1 1 15 THR OG1 O 13.643 3.740 -4.660 1.00 . A A . 15 THR OG1 1 1 14 12974 1 1 16 ARG C C 16.823 3.071 -7.718 1.00 . A A . 16 ARG C 1 1 14 12975 1 1 16 ARG CA C 15.865 2.185 -8.492 1.00 . A A . 16 ARG CA 1 1 14 12976 1 1 16 ARG CB C 16.192 2.239 -9.999 1.00 . A A . 16 ARG CB 1 1 14 12977 1 1 16 ARG CD C 15.800 1.073 -12.253 1.00 . A A . 16 ARG CD 1 1 14 12978 1 1 16 ARG CG C 15.554 1.063 -10.743 1.00 . A A . 16 ARG CG 1 1 14 12979 1 1 16 ARG CZ C 16.512 -1.249 -12.896 1.00 . A A . 16 ARG CZ 1 1 14 12980 1 1 16 ARG H H 14.136 3.291 -8.860 1.00 . A A . 16 ARG H 1 1 14 12981 1 1 16 ARG HA H 15.969 1.168 -8.155 1.00 . A A . 16 ARG HA 1 1 14 12982 1 1 16 ARG HB2 H 15.854 3.207 -10.427 1.00 . A A . 16 ARG HB2 1 1 14 12983 1 1 16 ARG HB3 H 17.292 2.149 -10.151 1.00 . A A . 16 ARG HB3 1 1 14 12984 1 1 16 ARG HD2 H 15.109 1.772 -12.769 1.00 . A A . 16 ARG HD2 1 1 14 12985 1 1 16 ARG HD3 H 16.846 1.365 -12.485 1.00 . A A . 16 ARG HD3 1 1 14 12986 1 1 16 ARG HE H 14.575 -0.635 -12.735 1.00 . A A . 16 ARG HE 1 1 14 12987 1 1 16 ARG HG2 H 16.006 0.147 -10.299 1.00 . A A . 16 ARG HG2 1 1 14 12988 1 1 16 ARG HG3 H 14.459 1.027 -10.548 1.00 . A A . 16 ARG HG3 1 1 14 12989 1 1 16 ARG HH11 H 18.084 0.075 -12.892 1.00 . A A . 16 ARG HH11 1 1 14 12990 1 1 16 ARG HH12 H 18.527 -1.587 -13.084 1.00 . A A . 16 ARG HH12 1 1 14 12991 1 1 16 ARG HH21 H 15.222 -2.850 -12.940 1.00 . A A . 16 ARG HH21 1 1 14 12992 1 1 16 ARG HH22 H 16.896 -3.256 -13.110 1.00 . A A . 16 ARG HH22 1 1 14 12993 1 1 16 ARG N N 14.518 2.626 -8.220 1.00 . A A . 16 ARG N 1 1 14 12994 1 1 16 ARG NE N 15.523 -0.319 -12.742 1.00 . A A . 16 ARG NE 1 1 14 12995 1 1 16 ARG NH1 N 17.825 -0.889 -12.946 1.00 . A A . 16 ARG NH1 1 1 14 12996 1 1 16 ARG NH2 N 16.181 -2.567 -12.993 1.00 . A A . 16 ARG NH2 1 1 14 12997 1 1 16 ARG O O 16.893 4.280 -7.929 1.00 . A A . 16 ARG O 1 1 14 12998 1 1 17 SER C C 18.996 2.196 -4.897 1.00 . A A . 17 SER C 1 1 14 12999 1 1 17 SER CA C 18.267 3.217 -5.735 1.00 . A A . 17 SER CA 1 1 14 13000 1 1 17 SER CB C 17.330 4.037 -4.804 1.00 . A A . 17 SER CB 1 1 14 13001 1 1 17 SER H H 17.505 1.499 -6.623 1.00 . A A . 17 SER H 1 1 14 13002 1 1 17 SER HA H 18.994 3.852 -6.212 1.00 . A A . 17 SER HA 1 1 14 13003 1 1 17 SER HB2 H 16.514 4.477 -5.415 1.00 . A A . 17 SER HB2 1 1 14 13004 1 1 17 SER HB3 H 16.858 3.381 -4.047 1.00 . A A . 17 SER HB3 1 1 14 13005 1 1 17 SER HG H 17.367 5.467 -3.510 1.00 . A A . 17 SER HG 1 1 14 13006 1 1 17 SER N N 17.541 2.486 -6.752 1.00 . A A . 17 SER N 1 1 14 13007 1 1 17 SER O O 18.994 1.007 -5.218 1.00 . A A . 17 SER O 1 1 14 13008 1 1 17 SER OG O 18.009 5.109 -4.151 1.00 . A A . 17 SER OG 1 1 14 13009 1 1 18 GLN C C 20.412 2.430 -1.529 1.00 . A A . 18 GLN C 1 1 14 13010 1 1 18 GLN CA C 20.386 1.773 -2.911 1.00 . A A . 18 GLN CA 1 1 14 13011 1 1 18 GLN CB C 21.879 1.646 -3.325 1.00 . A A . 18 GLN CB 1 1 14 13012 1 1 18 GLN CD C 22.336 2.190 -5.758 1.00 . A A . 18 GLN CD 1 1 14 13013 1 1 18 GLN CG C 22.183 1.070 -4.730 1.00 . A A . 18 GLN CG 1 1 14 13014 1 1 18 GLN H H 19.575 3.590 -3.574 1.00 . A A . 18 GLN H 1 1 14 13015 1 1 18 GLN HA H 19.934 0.797 -2.854 1.00 . A A . 18 GLN HA 1 1 14 13016 1 1 18 GLN HB2 H 22.372 2.640 -3.220 1.00 . A A . 18 GLN HB2 1 1 14 13017 1 1 18 GLN HB3 H 22.356 0.957 -2.594 1.00 . A A . 18 GLN HB3 1 1 14 13018 1 1 18 GLN HE21 H 21.186 1.212 -7.131 1.00 . A A . 18 GLN HE21 1 1 14 13019 1 1 18 GLN HE22 H 21.654 2.855 -7.546 1.00 . A A . 18 GLN HE22 1 1 14 13020 1 1 18 GLN HG2 H 23.152 0.529 -4.699 1.00 . A A . 18 GLN HG2 1 1 14 13021 1 1 18 GLN HG3 H 21.407 0.340 -5.030 1.00 . A A . 18 GLN HG3 1 1 14 13022 1 1 18 GLN N N 19.615 2.619 -3.791 1.00 . A A . 18 GLN N 1 1 14 13023 1 1 18 GLN NE2 N 21.704 2.057 -6.941 1.00 . A A . 18 GLN NE2 1 1 14 13024 1 1 18 GLN O O 21.112 3.428 -1.347 1.00 . A A . 18 GLN O 1 1 14 13025 1 1 18 GLN OE1 O 23.021 3.186 -5.500 1.00 . A A . 18 GLN OE1 1 1 14 13026 1 1 19 PRO C C 17.400 1.576 -1.371 1.00 . A A . 19 PRO C 1 1 14 13027 1 1 19 PRO CA C 18.589 1.002 -0.605 1.00 . A A . 19 PRO CA 1 1 14 13028 1 1 19 PRO CB C 18.248 0.774 0.880 1.00 . A A . 19 PRO CB 1 1 14 13029 1 1 19 PRO CD C 19.770 2.594 0.797 1.00 . A A . 19 PRO CD 1 1 14 13030 1 1 19 PRO CG C 18.514 2.131 1.528 1.00 . A A . 19 PRO CG 1 1 14 13031 1 1 19 PRO HA H 18.921 0.105 -1.106 1.00 . A A . 19 PRO HA 1 1 14 13032 1 1 19 PRO HB2 H 17.202 0.429 1.043 1.00 . A A . 19 PRO HB2 1 1 14 13033 1 1 19 PRO HB3 H 18.970 0.029 1.296 1.00 . A A . 19 PRO HB3 1 1 14 13034 1 1 19 PRO HD2 H 19.809 3.704 0.734 1.00 . A A . 19 PRO HD2 1 1 14 13035 1 1 19 PRO HD3 H 20.678 2.205 1.305 1.00 . A A . 19 PRO HD3 1 1 14 13036 1 1 19 PRO HG2 H 17.673 2.826 1.304 1.00 . A A . 19 PRO HG2 1 1 14 13037 1 1 19 PRO HG3 H 18.661 2.074 2.624 1.00 . A A . 19 PRO HG3 1 1 14 13038 1 1 19 PRO N N 19.680 1.971 -0.524 1.00 . A A . 19 PRO N 1 1 14 13039 1 1 19 PRO O O 17.391 2.784 -1.624 1.00 . A A . 19 PRO O 1 1 14 13040 1 1 20 PRO C C 14.314 2.047 -1.466 1.00 . A A . 20 PRO C 1 1 14 13041 1 1 20 PRO CA C 15.229 1.328 -2.435 1.00 . A A . 20 PRO CA 1 1 14 13042 1 1 20 PRO CB C 14.568 0.067 -3.018 1.00 . A A . 20 PRO CB 1 1 14 13043 1 1 20 PRO CD C 16.357 -0.653 -1.622 1.00 . A A . 20 PRO CD 1 1 14 13044 1 1 20 PRO CG C 14.930 -1.024 -2.015 1.00 . A A . 20 PRO CG 1 1 14 13045 1 1 20 PRO HA H 15.484 2.037 -3.201 1.00 . A A . 20 PRO HA 1 1 14 13046 1 1 20 PRO HB2 H 13.470 0.144 -3.162 1.00 . A A . 20 PRO HB2 1 1 14 13047 1 1 20 PRO HB3 H 15.045 -0.173 -3.994 1.00 . A A . 20 PRO HB3 1 1 14 13048 1 1 20 PRO HD2 H 16.556 -0.947 -0.568 1.00 . A A . 20 PRO HD2 1 1 14 13049 1 1 20 PRO HD3 H 17.088 -1.138 -2.311 1.00 . A A . 20 PRO HD3 1 1 14 13050 1 1 20 PRO HG2 H 14.264 -0.945 -1.126 1.00 . A A . 20 PRO HG2 1 1 14 13051 1 1 20 PRO HG3 H 14.852 -2.042 -2.448 1.00 . A A . 20 PRO HG3 1 1 14 13052 1 1 20 PRO N N 16.420 0.799 -1.798 1.00 . A A . 20 PRO N 1 1 14 13053 1 1 20 PRO O O 14.597 2.214 -0.279 1.00 . A A . 20 PRO O 1 1 14 13054 1 1 21 THR C C 10.966 2.929 -2.159 1.00 . A A . 21 THR C 1 1 14 13055 1 1 21 THR CA C 12.178 3.264 -1.337 1.00 . A A . 21 THR CA 1 1 14 13056 1 1 21 THR CB C 12.406 4.765 -1.496 1.00 . A A . 21 THR CB 1 1 14 13057 1 1 21 THR CG2 C 11.496 5.494 -0.516 1.00 . A A . 21 THR CG2 1 1 14 13058 1 1 21 THR H H 13.036 2.385 -2.980 1.00 . A A . 21 THR H 1 1 14 13059 1 1 21 THR HA H 12.033 2.951 -0.314 1.00 . A A . 21 THR HA 1 1 14 13060 1 1 21 THR HB H 12.198 5.080 -2.549 1.00 . A A . 21 THR HB 1 1 14 13061 1 1 21 THR HG1 H 14.296 4.809 -1.854 1.00 . A A . 21 THR HG1 1 1 14 13062 1 1 21 THR HG21 H 11.498 6.584 -0.722 1.00 . A A . 21 THR HG21 1 1 14 13063 1 1 21 THR HG22 H 11.839 5.331 0.529 1.00 . A A . 21 THR HG22 1 1 14 13064 1 1 21 THR HG23 H 10.460 5.122 -0.592 1.00 . A A . 21 THR HG23 1 1 14 13065 1 1 21 THR N N 13.161 2.445 -1.991 1.00 . A A . 21 THR N 1 1 14 13066 1 1 21 THR O O 10.992 2.999 -3.386 1.00 . A A . 21 THR O 1 1 14 13067 1 1 21 THR OG1 O 13.729 5.167 -1.160 1.00 . A A . 21 THR OG1 1 1 14 13068 1 1 22 CYS C C 7.513 2.055 -1.693 1.00 . A A . 22 CYS C 1 1 14 13069 1 1 22 CYS CA C 8.855 1.797 -2.313 1.00 . A A . 22 CYS CA 1 1 14 13070 1 1 22 CYS CB C 9.180 0.278 -2.456 1.00 . A A . 22 CYS CB 1 1 14 13071 1 1 22 CYS H H 9.856 2.313 -0.538 1.00 . A A . 22 CYS H 1 1 14 13072 1 1 22 CYS HA H 8.775 2.252 -3.292 1.00 . A A . 22 CYS HA 1 1 14 13073 1 1 22 CYS HB2 H 10.241 0.217 -2.777 1.00 . A A . 22 CYS HB2 1 1 14 13074 1 1 22 CYS HB3 H 9.141 -0.206 -1.462 1.00 . A A . 22 CYS HB3 1 1 14 13075 1 1 22 CYS N N 9.891 2.437 -1.534 1.00 . A A . 22 CYS N 1 1 14 13076 1 1 22 CYS O O 7.406 2.542 -0.566 1.00 . A A . 22 CYS O 1 1 14 13077 1 1 22 CYS SG S 8.181 -0.656 -3.666 1.00 . A A . 22 CYS SG 1 1 14 13078 1 1 23 ARG C C 4.081 1.526 -2.986 1.00 . A A . 23 ARG C 1 1 14 13079 1 1 23 ARG CA C 5.112 2.108 -2.040 1.00 . A A . 23 ARG CA 1 1 14 13080 1 1 23 ARG CB C 4.915 3.654 -2.039 1.00 . A A . 23 ARG CB 1 1 14 13081 1 1 23 ARG CD C 3.991 5.754 -0.879 1.00 . A A . 23 ARG CD 1 1 14 13082 1 1 23 ARG CG C 4.197 4.232 -0.803 1.00 . A A . 23 ARG CG 1 1 14 13083 1 1 23 ARG CZ C 1.747 5.883 -2.051 1.00 . A A . 23 ARG CZ 1 1 14 13084 1 1 23 ARG H H 6.595 1.462 -3.397 1.00 . A A . 23 ARG H 1 1 14 13085 1 1 23 ARG HA H 4.935 1.703 -1.059 1.00 . A A . 23 ARG HA 1 1 14 13086 1 1 23 ARG HB2 H 5.917 4.129 -2.078 1.00 . A A . 23 ARG HB2 1 1 14 13087 1 1 23 ARG HB3 H 4.382 3.978 -2.957 1.00 . A A . 23 ARG HB3 1 1 14 13088 1 1 23 ARG HD2 H 3.554 6.168 0.048 1.00 . A A . 23 ARG HD2 1 1 14 13089 1 1 23 ARG HD3 H 4.953 6.269 -1.073 1.00 . A A . 23 ARG HD3 1 1 14 13090 1 1 23 ARG HE H 3.547 6.282 -2.908 1.00 . A A . 23 ARG HE 1 1 14 13091 1 1 23 ARG HG2 H 3.209 3.750 -0.680 1.00 . A A . 23 ARG HG2 1 1 14 13092 1 1 23 ARG HG3 H 4.789 3.999 0.107 1.00 . A A . 23 ARG HG3 1 1 14 13093 1 1 23 ARG HH11 H 1.506 5.470 -0.045 1.00 . A A . 23 ARG HH11 1 1 14 13094 1 1 23 ARG HH12 H 0.052 5.455 -0.966 1.00 . A A . 23 ARG HH12 1 1 14 13095 1 1 23 ARG HH21 H 1.652 6.215 -4.060 1.00 . A A . 23 ARG HH21 1 1 14 13096 1 1 23 ARG HH22 H 0.119 5.858 -3.321 1.00 . A A . 23 ARG HH22 1 1 14 13097 1 1 23 ARG N N 6.447 1.739 -2.442 1.00 . A A . 23 ARG N 1 1 14 13098 1 1 23 ARG NE N 3.103 6.060 -2.041 1.00 . A A . 23 ARG NE 1 1 14 13099 1 1 23 ARG NH1 N 1.043 5.582 -0.925 1.00 . A A . 23 ARG NH1 1 1 14 13100 1 1 23 ARG NH2 N 1.104 6.021 -3.247 1.00 . A A . 23 ARG NH2 1 1 14 13101 1 1 23 ARG O O 4.307 1.276 -4.172 1.00 . A A . 23 ARG O 1 1 14 13102 1 1 24 CYS C C 0.885 1.875 -3.600 1.00 . A A . 24 CYS C 1 1 14 13103 1 1 24 CYS CA C 1.725 0.730 -3.071 1.00 . A A . 24 CYS CA 1 1 14 13104 1 1 24 CYS CB C 0.909 -0.099 -2.046 1.00 . A A . 24 CYS CB 1 1 14 13105 1 1 24 CYS H H 2.793 1.390 -1.441 1.00 . A A . 24 CYS H 1 1 14 13106 1 1 24 CYS HA H 2.028 0.112 -3.905 1.00 . A A . 24 CYS HA 1 1 14 13107 1 1 24 CYS HB2 H 0.495 0.579 -1.268 1.00 . A A . 24 CYS HB2 1 1 14 13108 1 1 24 CYS HB3 H 0.058 -0.594 -2.539 1.00 . A A . 24 CYS HB3 1 1 14 13109 1 1 24 CYS N N 2.898 1.260 -2.418 1.00 . A A . 24 CYS N 1 1 14 13110 1 1 24 CYS O O 0.290 2.627 -2.841 1.00 . A A . 24 CYS O 1 1 14 13111 1 1 24 CYS SG S 1.953 -1.344 -1.224 1.00 . A A . 24 CYS SG 1 1 14 13112 1 1 25 VAL C C -1.376 3.047 -5.446 1.00 . A A . 25 VAL C 1 1 14 13113 1 1 25 VAL CA C 0.131 3.138 -5.604 1.00 . A A . 25 VAL CA 1 1 14 13114 1 1 25 VAL CB C 0.568 3.355 -7.048 1.00 . A A . 25 VAL CB 1 1 14 13115 1 1 25 VAL CG1 C 2.108 3.486 -7.093 1.00 . A A . 25 VAL CG1 1 1 14 13116 1 1 25 VAL CG2 C 0.094 2.210 -7.955 1.00 . A A . 25 VAL CG2 1 1 14 13117 1 1 25 VAL H H 1.230 1.407 -5.558 1.00 . A A . 25 VAL H 1 1 14 13118 1 1 25 VAL HA H 0.392 4.043 -5.080 1.00 . A A . 25 VAL HA 1 1 14 13119 1 1 25 VAL HB H 0.126 4.311 -7.419 1.00 . A A . 25 VAL HB 1 1 14 13120 1 1 25 VAL HG11 H 2.454 4.282 -6.399 1.00 . A A . 25 VAL HG11 1 1 14 13121 1 1 25 VAL HG12 H 2.446 3.755 -8.115 1.00 . A A . 25 VAL HG12 1 1 14 13122 1 1 25 VAL HG13 H 2.610 2.538 -6.809 1.00 . A A . 25 VAL HG13 1 1 14 13123 1 1 25 VAL HG21 H 0.454 2.369 -8.994 1.00 . A A . 25 VAL HG21 1 1 14 13124 1 1 25 VAL HG22 H -1.014 2.141 -7.989 1.00 . A A . 25 VAL HG22 1 1 14 13125 1 1 25 VAL HG23 H 0.504 1.248 -7.593 1.00 . A A . 25 VAL HG23 1 1 14 13126 1 1 25 VAL N N 0.882 2.094 -4.931 1.00 . A A . 25 VAL N 1 1 14 13127 1 1 25 VAL O O -2.109 4.013 -5.658 1.00 . A A . 25 VAL O 1 1 14 13128 1 1 26 ASP C C -3.873 2.011 -3.644 1.00 . A A . 26 ASP C 1 1 14 13129 1 1 26 ASP CA C -3.292 1.565 -4.982 1.00 . A A . 26 ASP CA 1 1 14 13130 1 1 26 ASP CB C -3.632 0.072 -5.275 1.00 . A A . 26 ASP CB 1 1 14 13131 1 1 26 ASP CG C -3.129 -0.907 -4.227 1.00 . A A . 26 ASP CG 1 1 14 13132 1 1 26 ASP H H -1.254 1.086 -4.956 1.00 . A A . 26 ASP H 1 1 14 13133 1 1 26 ASP HA H -3.798 2.139 -5.744 1.00 . A A . 26 ASP HA 1 1 14 13134 1 1 26 ASP HB2 H -4.737 -0.046 -5.318 1.00 . A A . 26 ASP HB2 1 1 14 13135 1 1 26 ASP HB3 H -3.214 -0.206 -6.260 1.00 . A A . 26 ASP HB3 1 1 14 13136 1 1 26 ASP HD2 H -1.612 -1.361 -3.238 1.00 . A A . 26 ASP HD2 1 1 14 13137 1 1 26 ASP N N -1.881 1.842 -5.127 1.00 . A A . 26 ASP N 1 1 14 13138 1 1 26 ASP O O -3.314 1.764 -2.578 1.00 . A A . 26 ASP O 1 1 14 13139 1 1 26 ASP OD1 O -3.804 -1.682 -3.571 1.00 . A A . 26 ASP OD1 1 1 14 13140 1 1 26 ASP OD2 O -1.763 -0.924 -4.077 1.00 . A A . 26 ASP OD2 1 1 14 13141 1 1 27 VAL C C -6.683 1.868 -2.078 1.00 . A A . 27 VAL C 1 1 14 13142 1 1 27 VAL CA C -5.829 3.026 -2.544 1.00 . A A . 27 VAL CA 1 1 14 13143 1 1 27 VAL CB C -6.673 4.248 -2.919 1.00 . A A . 27 VAL CB 1 1 14 13144 1 1 27 VAL CG1 C -8.186 4.089 -2.693 1.00 . A A . 27 VAL CG1 1 1 14 13145 1 1 27 VAL CG2 C -6.135 5.488 -2.190 1.00 . A A . 27 VAL CG2 1 1 14 13146 1 1 27 VAL H H -5.467 2.869 -4.583 1.00 . A A . 27 VAL H 1 1 14 13147 1 1 27 VAL HA H -5.186 3.272 -1.712 1.00 . A A . 27 VAL HA 1 1 14 13148 1 1 27 VAL HB H -6.550 4.415 -4.014 1.00 . A A . 27 VAL HB 1 1 14 13149 1 1 27 VAL HG11 H -8.576 3.225 -3.268 1.00 . A A . 27 VAL HG11 1 1 14 13150 1 1 27 VAL HG12 H -8.693 4.992 -3.075 1.00 . A A . 27 VAL HG12 1 1 14 13151 1 1 27 VAL HG13 H -8.418 3.969 -1.616 1.00 . A A . 27 VAL HG13 1 1 14 13152 1 1 27 VAL HG21 H -6.212 5.353 -1.092 1.00 . A A . 27 VAL HG21 1 1 14 13153 1 1 27 VAL HG22 H -6.721 6.381 -2.483 1.00 . A A . 27 VAL HG22 1 1 14 13154 1 1 27 VAL HG23 H -5.076 5.659 -2.470 1.00 . A A . 27 VAL HG23 1 1 14 13155 1 1 27 VAL N N -5.044 2.651 -3.695 1.00 . A A . 27 VAL N 1 1 14 13156 1 1 27 VAL O O -7.236 1.113 -2.881 1.00 . A A . 27 VAL O 1 1 14 13157 1 1 28 ARG C C -8.629 1.633 0.853 1.00 . A A . 28 ARG C 1 1 14 13158 1 1 28 ARG CA C -7.909 0.889 -0.234 1.00 . A A . 28 ARG CA 1 1 14 13159 1 1 28 ARG CB C -7.389 -0.459 0.306 1.00 . A A . 28 ARG CB 1 1 14 13160 1 1 28 ARG CD C -8.604 -1.908 -1.428 1.00 . A A . 28 ARG CD 1 1 14 13161 1 1 28 ARG CG C -7.256 -1.541 -0.783 1.00 . A A . 28 ARG CG 1 1 14 13162 1 1 28 ARG CZ C -8.495 -4.320 -2.231 1.00 . A A . 28 ARG CZ 1 1 14 13163 1 1 28 ARG H H -6.366 2.278 -0.073 1.00 . A A . 28 ARG H 1 1 14 13164 1 1 28 ARG HA H -8.648 0.728 -0.996 1.00 . A A . 28 ARG HA 1 1 14 13165 1 1 28 ARG HB2 H -6.398 -0.259 0.772 1.00 . A A . 28 ARG HB2 1 1 14 13166 1 1 28 ARG HB3 H -8.066 -0.857 1.093 1.00 . A A . 28 ARG HB3 1 1 14 13167 1 1 28 ARG HD2 H -9.350 -2.223 -0.669 1.00 . A A . 28 ARG HD2 1 1 14 13168 1 1 28 ARG HD3 H -9.013 -1.016 -1.951 1.00 . A A . 28 ARG HD3 1 1 14 13169 1 1 28 ARG HE H -8.254 -2.683 -3.410 1.00 . A A . 28 ARG HE 1 1 14 13170 1 1 28 ARG HG2 H -6.558 -1.160 -1.563 1.00 . A A . 28 ARG HG2 1 1 14 13171 1 1 28 ARG HG3 H -6.794 -2.440 -0.322 1.00 . A A . 28 ARG HG3 1 1 14 13172 1 1 28 ARG HH11 H -8.720 -4.242 -0.180 1.00 . A A . 28 ARG HH11 1 1 14 13173 1 1 28 ARG HH12 H -8.732 -5.825 -0.864 1.00 . A A . 28 ARG HH12 1 1 14 13174 1 1 28 ARG HH21 H -8.244 -4.824 -4.209 1.00 . A A . 28 ARG HH21 1 1 14 13175 1 1 28 ARG HH22 H -8.395 -6.170 -3.121 1.00 . A A . 28 ARG HH22 1 1 14 13176 1 1 28 ARG N N -6.859 1.731 -0.751 1.00 . A A . 28 ARG N 1 1 14 13177 1 1 28 ARG NE N -8.413 -2.976 -2.468 1.00 . A A . 28 ARG NE 1 1 14 13178 1 1 28 ARG NH1 N -8.690 -4.833 -0.983 1.00 . A A . 28 ARG NH1 1 1 14 13179 1 1 28 ARG NH2 N -8.366 -5.182 -3.282 1.00 . A A . 28 ARG NH2 1 1 14 13180 1 1 28 ARG O O -8.144 2.620 1.390 1.00 . A A . 28 ARG O 1 1 14 13181 1 1 29 GLU C C -9.767 1.205 3.656 1.00 . A A . 29 GLU C 1 1 14 13182 1 1 29 GLU CA C -10.564 1.512 2.392 1.00 . A A . 29 GLU CA 1 1 14 13183 1 1 29 GLU CB C -11.950 0.839 2.334 1.00 . A A . 29 GLU CB 1 1 14 13184 1 1 29 GLU CD C -14.210 0.809 1.091 1.00 . A A . 29 GLU CD 1 1 14 13185 1 1 29 GLU CG C -12.836 1.454 1.219 1.00 . A A . 29 GLU CG 1 1 14 13186 1 1 29 GLU H H -10.239 0.420 0.690 1.00 . A A . 29 GLU H 1 1 14 13187 1 1 29 GLU HA H -10.707 2.582 2.406 1.00 . A A . 29 GLU HA 1 1 14 13188 1 1 29 GLU HB2 H -11.812 -0.246 2.140 1.00 . A A . 29 GLU HB2 1 1 14 13189 1 1 29 GLU HB3 H -12.460 0.963 3.312 1.00 . A A . 29 GLU HB3 1 1 14 13190 1 1 29 GLU HE2 H -15.862 0.594 2.074 1.00 . A A . 29 GLU HE2 1 1 14 13191 1 1 29 GLU HG2 H -12.977 2.536 1.424 1.00 . A A . 29 GLU HG2 1 1 14 13192 1 1 29 GLU HG3 H -12.343 1.365 0.231 1.00 . A A . 29 GLU HG3 1 1 14 13193 1 1 29 GLU N N -9.863 1.206 1.166 1.00 . A A . 29 GLU N 1 1 14 13194 1 1 29 GLU O O -9.542 2.043 4.525 1.00 . A A . 29 GLU O 1 1 14 13195 1 1 29 GLU OE1 O -14.620 0.192 0.124 1.00 . A A . 29 GLU OE1 1 1 14 13196 1 1 29 GLU OE2 O -15.008 1.038 2.181 1.00 . A A . 29 GLU OE2 1 1 14 13197 1 1 30 SER C C -6.988 -0.027 4.634 1.00 . A A . 30 SER C 1 1 14 13198 1 1 30 SER CA C -8.404 -0.534 4.787 1.00 . A A . 30 SER CA 1 1 14 13199 1 1 30 SER CB C -8.308 -2.075 4.963 1.00 . A A . 30 SER CB 1 1 14 13200 1 1 30 SER H H -9.522 -0.687 3.017 1.00 . A A . 30 SER H 1 1 14 13201 1 1 30 SER HA H -8.776 -0.117 5.713 1.00 . A A . 30 SER HA 1 1 14 13202 1 1 30 SER HB2 H -7.899 -2.554 4.044 1.00 . A A . 30 SER HB2 1 1 14 13203 1 1 30 SER HB3 H -7.602 -2.306 5.796 1.00 . A A . 30 SER HB3 1 1 14 13204 1 1 30 SER HG H -9.380 -3.556 5.604 1.00 . A A . 30 SER HG 1 1 14 13205 1 1 30 SER N N -9.325 -0.062 3.761 1.00 . A A . 30 SER N 1 1 14 13206 1 1 30 SER O O -6.469 0.149 3.536 1.00 . A A . 30 SER O 1 1 14 13207 1 1 30 SER OG O -9.581 -2.651 5.282 1.00 . A A . 30 SER OG 1 1 14 13208 1 1 31 CYS C C -4.381 -0.312 7.007 1.00 . A A . 31 CYS C 1 1 14 13209 1 1 31 CYS CA C -4.927 0.535 5.881 1.00 . A A . 31 CYS CA 1 1 14 13210 1 1 31 CYS CB C -4.749 2.041 6.210 1.00 . A A . 31 CYS CB 1 1 14 13211 1 1 31 CYS H H -6.793 0.033 6.646 1.00 . A A . 31 CYS H 1 1 14 13212 1 1 31 CYS HA H -4.410 0.267 4.968 1.00 . A A . 31 CYS HA 1 1 14 13213 1 1 31 CYS HB2 H -5.325 2.580 5.421 1.00 . A A . 31 CYS HB2 1 1 14 13214 1 1 31 CYS HB3 H -5.210 2.257 7.206 1.00 . A A . 31 CYS HB3 1 1 14 13215 1 1 31 CYS N N -6.331 0.200 5.780 1.00 . A A . 31 CYS N 1 1 14 13216 1 1 31 CYS O O -5.137 -0.790 7.852 1.00 . A A . 31 CYS O 1 1 14 13217 1 1 31 CYS SG S -3.044 2.683 6.126 1.00 . A A . 31 CYS SG 1 1 14 13218 1 1 32 HIS C C -1.257 -0.472 8.606 1.00 . A A . 32 HIS C 1 1 14 13219 1 1 32 HIS CA C -2.450 -1.263 8.146 1.00 . A A . 32 HIS CA 1 1 14 13220 1 1 32 HIS CB C -2.046 -2.678 7.691 1.00 . A A . 32 HIS CB 1 1 14 13221 1 1 32 HIS CD2 C -0.212 -3.615 9.269 1.00 . A A . 32 HIS CD2 1 1 14 13222 1 1 32 HIS CE1 C -1.387 -5.259 10.093 1.00 . A A . 32 HIS CE1 1 1 14 13223 1 1 32 HIS CG C -1.443 -3.575 8.716 1.00 . A A . 32 HIS CG 1 1 14 13224 1 1 32 HIS H H -2.426 -0.198 6.370 1.00 . A A . 32 HIS H 1 1 14 13225 1 1 32 HIS HA H -3.118 -1.362 8.987 1.00 . A A . 32 HIS HA 1 1 14 13226 1 1 32 HIS HB2 H -2.981 -3.184 7.366 1.00 . A A . 32 HIS HB2 1 1 14 13227 1 1 32 HIS HB3 H -1.343 -2.612 6.840 1.00 . A A . 32 HIS HB3 1 1 14 13228 1 1 32 HIS HD1 H -3.088 -4.857 8.985 1.00 . A A . 32 HIS HD1 1 1 14 13229 1 1 32 HIS HD2 H 0.632 -2.965 9.083 1.00 . A A . 32 HIS HD2 1 1 14 13230 1 1 32 HIS HE1 H -1.711 -6.110 10.643 1.00 . A A . 32 HIS HE1 1 1 14 13231 1 1 32 HIS HE2 H 0.570 -4.950 10.718 1.00 . A A . 32 HIS HE2 1 1 14 13232 1 1 32 HIS N N -3.065 -0.542 7.060 1.00 . A A . 32 HIS N 1 1 14 13233 1 1 32 HIS ND1 N -2.154 -4.613 9.237 1.00 . A A . 32 HIS ND1 1 1 14 13234 1 1 32 HIS NE2 N -0.198 -4.670 10.141 1.00 . A A . 32 HIS NE2 1 1 14 13235 1 1 32 HIS O O -0.531 0.134 7.830 1.00 . A A . 32 HIS O 1 1 14 13236 1 1 33 SER C C 1.336 -0.488 10.557 1.00 . A A . 33 SER C 1 1 14 13237 1 1 33 SER CA C 0.078 0.336 10.483 1.00 . A A . 33 SER CA 1 1 14 13238 1 1 33 SER CB C -0.231 0.884 11.895 1.00 . A A . 33 SER CB 1 1 14 13239 1 1 33 SER H H -1.586 -0.983 10.536 1.00 . A A . 33 SER H 1 1 14 13240 1 1 33 SER HA H 0.278 1.174 9.827 1.00 . A A . 33 SER HA 1 1 14 13241 1 1 33 SER HB2 H -0.594 0.054 12.543 1.00 . A A . 33 SER HB2 1 1 14 13242 1 1 33 SER HB3 H 0.675 1.328 12.373 1.00 . A A . 33 SER HB3 1 1 14 13243 1 1 33 SER HG H -1.595 2.027 12.700 1.00 . A A . 33 SER HG 1 1 14 13244 1 1 33 SER N N -1.006 -0.451 9.916 1.00 . A A . 33 SER N 1 1 14 13245 1 1 33 SER O O 1.842 -0.806 11.627 1.00 . A A . 33 SER O 1 1 14 13246 1 1 33 SER OG O -1.230 1.897 11.799 1.00 . A A . 33 SER OG 1 1 14 13247 1 1 34 ALA C C 4.036 -0.288 8.528 1.00 . A A . 34 ALA C 1 1 14 13248 1 1 34 ALA CA C 3.233 -1.356 9.246 1.00 . A A . 34 ALA CA 1 1 14 13249 1 1 34 ALA CB C 3.191 -2.663 8.432 1.00 . A A . 34 ALA CB 1 1 14 13250 1 1 34 ALA H H 1.426 -0.625 8.531 1.00 . A A . 34 ALA H 1 1 14 13251 1 1 34 ALA HA H 3.687 -1.503 10.214 1.00 . A A . 34 ALA HA 1 1 14 13252 1 1 34 ALA HB1 H 4.217 -3.039 8.230 1.00 . A A . 34 ALA HB1 1 1 14 13253 1 1 34 ALA HB2 H 2.669 -2.504 7.461 1.00 . A A . 34 ALA HB2 1 1 14 13254 1 1 34 ALA HB3 H 2.645 -3.443 9.002 1.00 . A A . 34 ALA HB3 1 1 14 13255 1 1 34 ALA N N 1.895 -0.835 9.388 1.00 . A A . 34 ALA N 1 1 14 13256 1 1 34 ALA O O 4.841 -0.541 7.634 1.00 . A A . 34 ALA O 1 1 14 13257 1 1 35 CYS C C 4.729 3.170 9.215 1.00 . A A . 35 CYS C 1 1 14 13258 1 1 35 CYS CA C 4.172 2.165 8.225 1.00 . A A . 35 CYS CA 1 1 14 13259 1 1 35 CYS CB C 2.928 2.747 7.510 1.00 . A A . 35 CYS CB 1 1 14 13260 1 1 35 CYS H H 3.130 1.092 9.659 1.00 . A A . 35 CYS H 1 1 14 13261 1 1 35 CYS HA H 4.951 1.952 7.511 1.00 . A A . 35 CYS HA 1 1 14 13262 1 1 35 CYS HB2 H 2.145 2.938 8.275 1.00 . A A . 35 CYS HB2 1 1 14 13263 1 1 35 CYS HB3 H 3.168 3.695 6.998 1.00 . A A . 35 CYS HB3 1 1 14 13264 1 1 35 CYS N N 3.772 0.968 8.913 1.00 . A A . 35 CYS N 1 1 14 13265 1 1 35 CYS O O 5.387 2.825 10.191 1.00 . A A . 35 CYS O 1 1 14 13266 1 1 35 CYS SG S 2.245 1.627 6.257 1.00 . A A . 35 CYS SG 1 1 14 13267 1 1 36 ASP C C 3.584 6.440 10.018 1.00 . A A . 36 ASP C 1 1 14 13268 1 1 36 ASP CA C 4.793 5.521 9.931 1.00 . A A . 36 ASP CA 1 1 14 13269 1 1 36 ASP CB C 6.099 6.253 9.532 1.00 . A A . 36 ASP CB 1 1 14 13270 1 1 36 ASP CG C 7.272 5.413 10.008 1.00 . A A . 36 ASP CG 1 1 14 13271 1 1 36 ASP H H 3.968 4.729 8.185 1.00 . A A . 36 ASP H 1 1 14 13272 1 1 36 ASP HA H 4.882 5.113 10.934 1.00 . A A . 36 ASP HA 1 1 14 13273 1 1 36 ASP HB2 H 6.149 6.430 8.443 1.00 . A A . 36 ASP HB2 1 1 14 13274 1 1 36 ASP HB3 H 6.176 7.230 10.053 1.00 . A A . 36 ASP HB3 1 1 14 13275 1 1 36 ASP HD2 H 7.873 5.298 8.145 1.00 . A A . 36 ASP HD2 1 1 14 13276 1 1 36 ASP N N 4.483 4.468 8.989 1.00 . A A . 36 ASP N 1 1 14 13277 1 1 36 ASP O O 3.002 6.589 11.089 1.00 . A A . 36 ASP O 1 1 14 13278 1 1 36 ASP OD1 O 7.545 5.204 11.174 1.00 . A A . 36 ASP OD1 1 1 14 13279 1 1 36 ASP OD2 O 8.011 4.858 8.989 1.00 . A A . 36 ASP OD2 1 1 14 13280 1 1 37 LYS C C 0.979 7.220 7.730 1.00 . A A . 37 LYS C 1 1 14 13281 1 1 37 LYS CA C 1.886 7.759 8.825 1.00 . A A . 37 LYS CA 1 1 14 13282 1 1 37 LYS CB C 2.158 9.248 8.524 1.00 . A A . 37 LYS CB 1 1 14 13283 1 1 37 LYS CD C 0.117 10.071 9.847 1.00 . A A . 37 LYS CD 1 1 14 13284 1 1 37 LYS CE C -0.804 11.263 10.125 1.00 . A A . 37 LYS CE 1 1 14 13285 1 1 37 LYS CG C 0.923 10.163 8.541 1.00 . A A . 37 LYS CG 1 1 14 13286 1 1 37 LYS H H 3.671 7.077 8.064 1.00 . A A . 37 LYS H 1 1 14 13287 1 1 37 LYS HA H 1.356 7.653 9.758 1.00 . A A . 37 LYS HA 1 1 14 13288 1 1 37 LYS HB2 H 2.873 9.621 9.286 1.00 . A A . 37 LYS HB2 1 1 14 13289 1 1 37 LYS HB3 H 2.663 9.347 7.540 1.00 . A A . 37 LYS HB3 1 1 14 13290 1 1 37 LYS HD2 H -0.486 9.136 9.846 1.00 . A A . 37 LYS HD2 1 1 14 13291 1 1 37 LYS HD3 H 0.838 10.007 10.692 1.00 . A A . 37 LYS HD3 1 1 14 13292 1 1 37 LYS HE2 H -1.379 11.097 11.060 1.00 . A A . 37 LYS HE2 1 1 14 13293 1 1 37 LYS HE3 H -0.212 12.197 10.221 1.00 . A A . 37 LYS HE3 1 1 14 13294 1 1 37 LYS HG2 H 1.283 11.208 8.409 1.00 . A A . 37 LYS HG2 1 1 14 13295 1 1 37 LYS HG3 H 0.275 9.920 7.674 1.00 . A A . 37 LYS HG3 1 1 14 13296 1 1 37 LYS HZ1 H -2.427 12.226 9.274 1.00 . A A . 37 LYS HZ1 1 1 14 13297 1 1 37 LYS HZ2 H -2.313 10.576 8.878 1.00 . A A . 37 LYS HZ2 1 1 14 13298 1 1 37 LYS HZ3 H -1.257 11.702 8.162 1.00 . A A . 37 LYS HZ3 1 1 14 13299 1 1 37 LYS N N 3.140 7.043 8.894 1.00 . A A . 37 LYS N 1 1 14 13300 1 1 37 LYS NZ N -1.774 11.453 9.029 1.00 . A A . 37 LYS NZ 1 1 14 13301 1 1 37 LYS O O 1.305 7.293 6.541 1.00 . A A . 37 LYS O 1 1 14 13302 1 1 38 CYS C C -2.198 7.724 7.161 1.00 . A A . 38 CYS C 1 1 14 13303 1 1 38 CYS CA C -1.315 6.490 7.200 1.00 . A A . 38 CYS CA 1 1 14 13304 1 1 38 CYS CB C -2.111 5.233 7.609 1.00 . A A . 38 CYS CB 1 1 14 13305 1 1 38 CYS H H -0.426 6.460 9.047 1.00 . A A . 38 CYS H 1 1 14 13306 1 1 38 CYS HA H -0.952 6.351 6.194 1.00 . A A . 38 CYS HA 1 1 14 13307 1 1 38 CYS HB2 H -1.356 4.428 7.790 1.00 . A A . 38 CYS HB2 1 1 14 13308 1 1 38 CYS HB3 H -2.615 5.454 8.580 1.00 . A A . 38 CYS HB3 1 1 14 13309 1 1 38 CYS N N -0.193 6.663 8.090 1.00 . A A . 38 CYS N 1 1 14 13310 1 1 38 CYS O O -2.521 8.314 8.192 1.00 . A A . 38 CYS O 1 1 14 13311 1 1 38 CYS SG S -3.293 4.693 6.317 1.00 . A A . 38 CYS SG 1 1 14 13312 1 1 39 VAL C C -4.789 8.624 5.192 1.00 . A A . 39 VAL C 1 1 14 13313 1 1 39 VAL CA C -3.536 9.240 5.760 1.00 . A A . 39 VAL CA 1 1 14 13314 1 1 39 VAL CB C -2.922 10.192 4.763 1.00 . A A . 39 VAL CB 1 1 14 13315 1 1 39 VAL CG1 C -3.884 11.276 4.276 1.00 . A A . 39 VAL CG1 1 1 14 13316 1 1 39 VAL CG2 C -1.719 10.868 5.429 1.00 . A A . 39 VAL CG2 1 1 14 13317 1 1 39 VAL H H -2.371 7.705 5.094 1.00 . A A . 39 VAL H 1 1 14 13318 1 1 39 VAL HA H -3.772 9.756 6.680 1.00 . A A . 39 VAL HA 1 1 14 13319 1 1 39 VAL HB H -2.582 9.597 3.887 1.00 . A A . 39 VAL HB 1 1 14 13320 1 1 39 VAL HG11 H -4.318 11.811 5.145 1.00 . A A . 39 VAL HG11 1 1 14 13321 1 1 39 VAL HG12 H -4.690 10.833 3.658 1.00 . A A . 39 VAL HG12 1 1 14 13322 1 1 39 VAL HG13 H -3.313 11.994 3.650 1.00 . A A . 39 VAL HG13 1 1 14 13323 1 1 39 VAL HG21 H -1.298 11.630 4.738 1.00 . A A . 39 VAL HG21 1 1 14 13324 1 1 39 VAL HG22 H -0.937 10.118 5.666 1.00 . A A . 39 VAL HG22 1 1 14 13325 1 1 39 VAL HG23 H -2.044 11.372 6.359 1.00 . A A . 39 VAL HG23 1 1 14 13326 1 1 39 VAL N N -2.614 8.152 5.959 1.00 . A A . 39 VAL N 1 1 14 13327 1 1 39 VAL O O -4.716 7.654 4.433 1.00 . A A . 39 VAL O 1 1 14 13328 1 1 40 CYS C C -8.313 9.475 4.956 1.00 . A A . 40 CYS C 1 1 14 13329 1 1 40 CYS CA C -7.205 8.485 5.204 1.00 . A A . 40 CYS CA 1 1 14 13330 1 1 40 CYS CB C -7.572 7.533 6.350 1.00 . A A . 40 CYS CB 1 1 14 13331 1 1 40 CYS H H -6.053 9.914 6.187 1.00 . A A . 40 CYS H 1 1 14 13332 1 1 40 CYS HA H -7.066 7.928 4.299 1.00 . A A . 40 CYS HA 1 1 14 13333 1 1 40 CYS HB2 H -6.596 7.186 6.745 1.00 . A A . 40 CYS HB2 1 1 14 13334 1 1 40 CYS HB3 H -8.070 8.093 7.169 1.00 . A A . 40 CYS HB3 1 1 14 13335 1 1 40 CYS N N -5.976 9.157 5.538 1.00 . A A . 40 CYS N 1 1 14 13336 1 1 40 CYS O O -8.879 10.069 5.870 1.00 . A A . 40 CYS O 1 1 14 13337 1 1 40 CYS SG S -8.493 6.047 5.858 1.00 . A A . 40 CYS SG 1 1 14 13338 1 1 41 ALA C C -11.065 10.066 3.512 1.00 . A A . 41 ALA C 1 1 14 13339 1 1 41 ALA CA C -9.670 10.585 3.217 1.00 . A A . 41 ALA CA 1 1 14 13340 1 1 41 ALA CB C -9.529 10.969 1.742 1.00 . A A . 41 ALA CB 1 1 14 13341 1 1 41 ALA H H -8.197 9.101 3.003 1.00 . A A . 41 ALA H 1 1 14 13342 1 1 41 ALA HA H -9.584 11.509 3.772 1.00 . A A . 41 ALA HA 1 1 14 13343 1 1 41 ALA HB1 H -10.270 11.756 1.479 1.00 . A A . 41 ALA HB1 1 1 14 13344 1 1 41 ALA HB2 H -9.695 10.096 1.084 1.00 . A A . 41 ALA HB2 1 1 14 13345 1 1 41 ALA HB3 H -8.511 11.372 1.555 1.00 . A A . 41 ALA HB3 1 1 14 13346 1 1 41 ALA N N -8.596 9.729 3.672 1.00 . A A . 41 ALA N 1 1 14 13347 1 1 41 ALA O O -11.339 8.869 3.425 1.00 . A A . 41 ALA O 1 1 14 13348 1 1 42 TYR C C -14.344 10.278 3.233 1.00 . A A . 42 TYR C 1 1 14 13349 1 1 42 TYR CA C -13.331 10.625 4.313 1.00 . A A . 42 TYR CA 1 1 14 13350 1 1 42 TYR CB C -13.883 11.769 5.208 1.00 . A A . 42 TYR CB 1 1 14 13351 1 1 42 TYR CD1 C -15.273 13.316 3.733 1.00 . A A . 42 TYR CD1 1 1 14 13352 1 1 42 TYR CD2 C -13.127 14.095 4.519 1.00 . A A . 42 TYR CD2 1 1 14 13353 1 1 42 TYR CE1 C -15.459 14.521 3.039 1.00 . A A . 42 TYR CE1 1 1 14 13354 1 1 42 TYR CE2 C -13.308 15.297 3.824 1.00 . A A . 42 TYR CE2 1 1 14 13355 1 1 42 TYR CG C -14.098 13.081 4.474 1.00 . A A . 42 TYR CG 1 1 14 13356 1 1 42 TYR CZ C -14.471 15.508 3.085 1.00 . A A . 42 TYR CZ 1 1 14 13357 1 1 42 TYR H H -11.769 11.941 3.855 1.00 . A A . 42 TYR H 1 1 14 13358 1 1 42 TYR HA H -13.222 9.750 4.923 1.00 . A A . 42 TYR HA 1 1 14 13359 1 1 42 TYR HB2 H -14.839 11.464 5.684 1.00 . A A . 42 TYR HB2 1 1 14 13360 1 1 42 TYR HB3 H -13.132 11.926 6.010 1.00 . A A . 42 TYR HB3 1 1 14 13361 1 1 42 TYR HD1 H -16.041 12.559 3.680 1.00 . A A . 42 TYR HD1 1 1 14 13362 1 1 42 TYR HD2 H -12.210 13.950 5.064 1.00 . A A . 42 TYR HD2 1 1 14 13363 1 1 42 TYR HE1 H -16.362 14.674 2.469 1.00 . A A . 42 TYR HE1 1 1 14 13364 1 1 42 TYR HE2 H -12.534 16.050 3.855 1.00 . A A . 42 TYR HE2 1 1 14 13365 1 1 42 TYR HH H -15.490 16.680 1.913 1.00 . A A . 42 TYR HH 1 1 14 13366 1 1 42 TYR N N -12.009 10.975 3.817 1.00 . A A . 42 TYR N 1 1 14 13367 1 1 42 TYR O O -15.512 10.015 3.514 1.00 . A A . 42 TYR O 1 1 14 13368 1 1 42 TYR OH O -14.635 16.719 2.387 1.00 . A A . 42 TYR OH 1 1 14 13369 1 1 43 SER C C -15.487 9.149 0.398 1.00 . A A . 43 SER C 1 1 14 13370 1 1 43 SER CA C -14.571 10.323 0.714 1.00 . A A . 43 SER CA 1 1 14 13371 1 1 43 SER CB C -13.523 10.468 -0.421 1.00 . A A . 43 SER CB 1 1 14 13372 1 1 43 SER H H -12.901 10.511 1.923 1.00 . A A . 43 SER H 1 1 14 13373 1 1 43 SER HA H -15.194 11.201 0.697 1.00 . A A . 43 SER HA 1 1 14 13374 1 1 43 SER HB2 H -12.983 9.498 -0.560 1.00 . A A . 43 SER HB2 1 1 14 13375 1 1 43 SER HB3 H -14.025 10.789 -1.362 1.00 . A A . 43 SER HB3 1 1 14 13376 1 1 43 SER HG H -11.825 11.375 -0.752 1.00 . A A . 43 SER HG 1 1 14 13377 1 1 43 SER N N -13.873 10.307 1.987 1.00 . A A . 43 SER N 1 1 14 13378 1 1 43 SER O O -16.095 8.520 1.260 1.00 . A A . 43 SER O 1 1 14 13379 1 1 43 SER OG O -12.542 11.452 -0.080 1.00 . A A . 43 SER OG 1 1 14 13380 1 1 44 ASN C C -16.096 7.119 -2.570 1.00 . A A . 44 ASN C 1 1 14 13381 1 1 44 ASN CA C -16.628 7.873 -1.351 1.00 . A A . 44 ASN CA 1 1 14 13382 1 1 44 ASN CB C -17.865 8.709 -1.754 1.00 . A A . 44 ASN CB 1 1 14 13383 1 1 44 ASN CG C -19.126 7.878 -1.939 1.00 . A A . 44 ASN CG 1 1 14 13384 1 1 44 ASN H H -15.209 9.326 -1.609 1.00 . A A . 44 ASN H 1 1 14 13385 1 1 44 ASN HA H -16.881 7.185 -0.565 1.00 . A A . 44 ASN HA 1 1 14 13386 1 1 44 ASN HB2 H -18.050 9.417 -0.921 1.00 . A A . 44 ASN HB2 1 1 14 13387 1 1 44 ASN HB3 H -17.655 9.321 -2.651 1.00 . A A . 44 ASN HB3 1 1 14 13388 1 1 44 ASN HD21 H -18.380 6.912 -3.576 1.00 . A A . 44 ASN HD21 1 1 14 13389 1 1 44 ASN HD22 H -19.931 6.371 -3.064 1.00 . A A . 44 ASN HD22 1 1 14 13390 1 1 44 ASN N N -15.630 8.797 -0.891 1.00 . A A . 44 ASN N 1 1 14 13391 1 1 44 ASN ND2 N -19.135 6.960 -2.929 1.00 . A A . 44 ASN ND2 1 1 14 13392 1 1 44 ASN O O -16.105 7.665 -3.673 1.00 . A A . 44 ASN O 1 1 14 13393 1 1 44 ASN OD1 O -20.101 8.065 -1.201 1.00 . A A . 44 ASN OD1 1 1 14 13394 1 1 45 PRO C C -14.300 5.778 -0.385 1.00 . A A . 45 PRO C 1 1 14 13395 1 1 45 PRO CA C -15.456 5.166 -1.173 1.00 . A A . 45 PRO CA 1 1 14 13396 1 1 45 PRO CB C -15.156 3.739 -1.646 1.00 . A A . 45 PRO CB 1 1 14 13397 1 1 45 PRO CD C -15.106 5.142 -3.579 1.00 . A A . 45 PRO CD 1 1 14 13398 1 1 45 PRO CG C -14.401 3.935 -2.962 1.00 . A A . 45 PRO CG 1 1 14 13399 1 1 45 PRO HA H -16.351 5.234 -0.576 1.00 . A A . 45 PRO HA 1 1 14 13400 1 1 45 PRO HB2 H -14.613 3.138 -0.904 1.00 . A A . 45 PRO HB2 1 1 14 13401 1 1 45 PRO HB3 H -16.114 3.220 -1.837 1.00 . A A . 45 PRO HB3 1 1 14 13402 1 1 45 PRO HD2 H -14.396 5.771 -4.162 1.00 . A A . 45 PRO HD2 1 1 14 13403 1 1 45 PRO HD3 H -15.948 4.815 -4.228 1.00 . A A . 45 PRO HD3 1 1 14 13404 1 1 45 PRO HG2 H -13.342 4.195 -2.745 1.00 . A A . 45 PRO HG2 1 1 14 13405 1 1 45 PRO HG3 H -14.422 3.048 -3.620 1.00 . A A . 45 PRO HG3 1 1 14 13406 1 1 45 PRO N N -15.651 5.877 -2.436 1.00 . A A . 45 PRO N 1 1 14 13407 1 1 45 PRO O O -13.575 6.581 -0.978 1.00 . A A . 45 PRO O 1 1 14 13408 1 1 46 PRO C C -11.681 5.688 1.226 1.00 . A A . 46 PRO C 1 1 14 13409 1 1 46 PRO CA C -13.044 6.184 1.648 1.00 . A A . 46 PRO CA 1 1 14 13410 1 1 46 PRO CB C -13.364 5.894 3.113 1.00 . A A . 46 PRO CB 1 1 14 13411 1 1 46 PRO CD C -14.989 4.735 1.748 1.00 . A A . 46 PRO CD 1 1 14 13412 1 1 46 PRO CG C -14.273 4.667 3.097 1.00 . A A . 46 PRO CG 1 1 14 13413 1 1 46 PRO HA H -13.065 7.244 1.461 1.00 . A A . 46 PRO HA 1 1 14 13414 1 1 46 PRO HB2 H -12.459 5.757 3.739 1.00 . A A . 46 PRO HB2 1 1 14 13415 1 1 46 PRO HB3 H -13.947 6.749 3.519 1.00 . A A . 46 PRO HB3 1 1 14 13416 1 1 46 PRO HD2 H -15.113 3.700 1.333 1.00 . A A . 46 PRO HD2 1 1 14 13417 1 1 46 PRO HD3 H -15.959 5.282 1.865 1.00 . A A . 46 PRO HD3 1 1 14 13418 1 1 46 PRO HG2 H -13.657 3.745 3.153 1.00 . A A . 46 PRO HG2 1 1 14 13419 1 1 46 PRO HG3 H -14.980 4.708 3.952 1.00 . A A . 46 PRO HG3 1 1 14 13420 1 1 46 PRO N N -14.104 5.530 0.901 1.00 . A A . 46 PRO N 1 1 14 13421 1 1 46 PRO O O -11.544 4.561 0.749 1.00 . A A . 46 PRO O 1 1 14 13422 1 1 47 GLN C C -8.376 6.245 1.823 1.00 . A A . 47 GLN C 1 1 14 13423 1 1 47 GLN CA C -9.382 6.330 0.725 1.00 . A A . 47 GLN CA 1 1 14 13424 1 1 47 GLN CB C -8.958 7.520 -0.166 1.00 . A A . 47 GLN CB 1 1 14 13425 1 1 47 GLN CD C -9.977 7.209 -2.485 1.00 . A A . 47 GLN CD 1 1 14 13426 1 1 47 GLN CG C -10.020 7.994 -1.180 1.00 . A A . 47 GLN CG 1 1 14 13427 1 1 47 GLN H H -10.740 7.382 1.894 1.00 . A A . 47 GLN H 1 1 14 13428 1 1 47 GLN HA H -9.358 5.409 0.169 1.00 . A A . 47 GLN HA 1 1 14 13429 1 1 47 GLN HB2 H -8.739 8.390 0.492 1.00 . A A . 47 GLN HB2 1 1 14 13430 1 1 47 GLN HB3 H -8.005 7.282 -0.691 1.00 . A A . 47 GLN HB3 1 1 14 13431 1 1 47 GLN HE21 H -8.330 8.249 -3.066 1.00 . A A . 47 GLN HE21 1 1 14 13432 1 1 47 GLN HE22 H -8.985 7.155 -4.249 1.00 . A A . 47 GLN HE22 1 1 14 13433 1 1 47 GLN HG2 H -11.045 7.940 -0.760 1.00 . A A . 47 GLN HG2 1 1 14 13434 1 1 47 GLN HG3 H -9.812 9.059 -1.418 1.00 . A A . 47 GLN HG3 1 1 14 13435 1 1 47 GLN N N -10.666 6.554 1.338 1.00 . A A . 47 GLN N 1 1 14 13436 1 1 47 GLN NE2 N -8.981 7.546 -3.334 1.00 . A A . 47 GLN NE2 1 1 14 13437 1 1 47 GLN O O -8.461 6.997 2.784 1.00 . A A . 47 GLN O 1 1 14 13438 1 1 47 GLN OE1 O -10.820 6.362 -2.791 1.00 . A A . 47 GLN OE1 1 1 14 13439 1 1 48 CYS C C -5.204 4.564 2.170 1.00 . A A . 48 CYS C 1 1 14 13440 1 1 48 CYS CA C -6.452 5.162 2.781 1.00 . A A . 48 CYS CA 1 1 14 13441 1 1 48 CYS CB C -7.064 4.191 3.829 1.00 . A A . 48 CYS CB 1 1 14 13442 1 1 48 CYS H H -7.388 4.665 1.003 1.00 . A A . 48 CYS H 1 1 14 13443 1 1 48 CYS HA H -6.182 6.100 3.236 1.00 . A A . 48 CYS HA 1 1 14 13444 1 1 48 CYS HB2 H -8.133 4.047 3.558 1.00 . A A . 48 CYS HB2 1 1 14 13445 1 1 48 CYS HB3 H -6.593 3.192 3.732 1.00 . A A . 48 CYS HB3 1 1 14 13446 1 1 48 CYS N N -7.374 5.379 1.701 1.00 . A A . 48 CYS N 1 1 14 13447 1 1 48 CYS O O -5.261 3.650 1.334 1.00 . A A . 48 CYS O 1 1 14 13448 1 1 48 CYS SG S -6.989 4.708 5.575 1.00 . A A . 48 CYS SG 1 1 14 13449 1 1 49 GLN C C -1.705 5.260 3.113 1.00 . A A . 49 GLN C 1 1 14 13450 1 1 49 GLN CA C -2.735 4.823 2.095 1.00 . A A . 49 GLN CA 1 1 14 13451 1 1 49 GLN CB C -2.347 5.599 0.816 1.00 . A A . 49 GLN CB 1 1 14 13452 1 1 49 GLN CD C -2.464 5.787 -1.709 1.00 . A A . 49 GLN CD 1 1 14 13453 1 1 49 GLN CG C -2.962 5.032 -0.477 1.00 . A A . 49 GLN CG 1 1 14 13454 1 1 49 GLN H H -4.083 5.953 3.164 1.00 . A A . 49 GLN H 1 1 14 13455 1 1 49 GLN HA H -2.654 3.756 1.981 1.00 . A A . 49 GLN HA 1 1 14 13456 1 1 49 GLN HB2 H -2.682 6.648 0.988 1.00 . A A . 49 GLN HB2 1 1 14 13457 1 1 49 GLN HB3 H -1.240 5.598 0.674 1.00 . A A . 49 GLN HB3 1 1 14 13458 1 1 49 GLN HE21 H -3.267 7.543 -1.041 1.00 . A A . 49 GLN HE21 1 1 14 13459 1 1 49 GLN HE22 H -2.383 7.657 -2.521 1.00 . A A . 49 GLN HE22 1 1 14 13460 1 1 49 GLN HG2 H -2.670 3.966 -0.596 1.00 . A A . 49 GLN HG2 1 1 14 13461 1 1 49 GLN HG3 H -4.067 5.083 -0.426 1.00 . A A . 49 GLN HG3 1 1 14 13462 1 1 49 GLN N N -4.057 5.171 2.543 1.00 . A A . 49 GLN N 1 1 14 13463 1 1 49 GLN NE2 N -2.725 7.116 -1.756 1.00 . A A . 49 GLN NE2 1 1 14 13464 1 1 49 GLN O O -1.838 6.277 3.793 1.00 . A A . 49 GLN O 1 1 14 13465 1 1 49 GLN OE1 O -1.860 5.229 -2.625 1.00 . A A . 49 GLN OE1 1 1 14 13466 1 1 50 CYS C C 1.404 5.978 3.142 1.00 . A A . 50 CYS C 1 1 14 13467 1 1 50 CYS CA C 0.592 4.955 3.913 1.00 . A A . 50 CYS CA 1 1 14 13468 1 1 50 CYS CB C 1.504 3.768 4.290 1.00 . A A . 50 CYS CB 1 1 14 13469 1 1 50 CYS H H -0.525 3.683 2.654 1.00 . A A . 50 CYS H 1 1 14 13470 1 1 50 CYS HA H 0.279 5.437 4.828 1.00 . A A . 50 CYS HA 1 1 14 13471 1 1 50 CYS HB2 H 1.749 3.179 3.381 1.00 . A A . 50 CYS HB2 1 1 14 13472 1 1 50 CYS HB3 H 2.467 4.135 4.697 1.00 . A A . 50 CYS HB3 1 1 14 13473 1 1 50 CYS N N -0.583 4.530 3.174 1.00 . A A . 50 CYS N 1 1 14 13474 1 1 50 CYS O O 2.074 5.672 2.162 1.00 . A A . 50 CYS O 1 1 14 13475 1 1 50 CYS SG S 0.700 2.702 5.519 1.00 . A A . 50 CYS SG 1 1 14 13476 1 1 51 TYR C C 3.586 8.188 2.999 1.00 . A A . 51 TYR C 1 1 14 13477 1 1 51 TYR CA C 2.092 8.391 3.083 1.00 . A A . 51 TYR CA 1 1 14 13478 1 1 51 TYR CB C 1.752 9.687 3.877 1.00 . A A . 51 TYR CB 1 1 14 13479 1 1 51 TYR CD1 C -0.342 9.944 2.457 1.00 . A A . 51 TYR CD1 1 1 14 13480 1 1 51 TYR CD2 C 0.994 11.908 2.900 1.00 . A A . 51 TYR CD2 1 1 14 13481 1 1 51 TYR CE1 C -1.171 10.697 1.622 1.00 . A A . 51 TYR CE1 1 1 14 13482 1 1 51 TYR CE2 C 0.151 12.663 2.078 1.00 . A A . 51 TYR CE2 1 1 14 13483 1 1 51 TYR CG C 0.780 10.528 3.081 1.00 . A A . 51 TYR CG 1 1 14 13484 1 1 51 TYR CZ C -0.918 12.052 1.418 1.00 . A A . 51 TYR CZ 1 1 14 13485 1 1 51 TYR H H 0.822 7.416 4.418 1.00 . A A . 51 TYR H 1 1 14 13486 1 1 51 TYR HA H 1.828 8.496 2.042 1.00 . A A . 51 TYR HA 1 1 14 13487 1 1 51 TYR HB2 H 1.299 9.453 4.860 1.00 . A A . 51 TYR HB2 1 1 14 13488 1 1 51 TYR HB3 H 2.669 10.283 4.074 1.00 . A A . 51 TYR HB3 1 1 14 13489 1 1 51 TYR HD1 H -0.609 8.908 2.598 1.00 . A A . 51 TYR HD1 1 1 14 13490 1 1 51 TYR HD2 H 1.812 12.433 3.364 1.00 . A A . 51 TYR HD2 1 1 14 13491 1 1 51 TYR HE1 H -2.007 10.213 1.144 1.00 . A A . 51 TYR HE1 1 1 14 13492 1 1 51 TYR HE2 H 0.364 13.711 1.963 1.00 . A A . 51 TYR HE2 1 1 14 13493 1 1 51 TYR HH H -1.480 13.709 0.587 1.00 . A A . 51 TYR HH 1 1 14 13494 1 1 51 TYR N N 1.334 7.250 3.580 1.00 . A A . 51 TYR N 1 1 14 13495 1 1 51 TYR O O 4.255 8.644 2.075 1.00 . A A . 51 TYR O 1 1 14 13496 1 1 51 TYR OH O -1.740 12.779 0.541 1.00 . A A . 51 TYR OH 1 1 14 13497 1 1 52 ASP C C 6.061 6.225 3.089 1.00 . A A . 52 ASP C 1 1 14 13498 1 1 52 ASP CA C 5.579 7.282 4.083 1.00 . A A . 52 ASP CA 1 1 14 13499 1 1 52 ASP CB C 6.008 6.889 5.521 1.00 . A A . 52 ASP CB 1 1 14 13500 1 1 52 ASP CG C 7.527 6.870 5.636 1.00 . A A . 52 ASP CG 1 1 14 13501 1 1 52 ASP H H 3.528 7.159 4.701 1.00 . A A . 52 ASP H 1 1 14 13502 1 1 52 ASP HA H 6.071 8.211 3.821 1.00 . A A . 52 ASP HA 1 1 14 13503 1 1 52 ASP HB2 H 5.631 7.643 6.241 1.00 . A A . 52 ASP HB2 1 1 14 13504 1 1 52 ASP HB3 H 5.588 5.896 5.785 1.00 . A A . 52 ASP HB3 1 1 14 13505 1 1 52 ASP HD2 H 8.952 5.700 6.234 1.00 . A A . 52 ASP HD2 1 1 14 13506 1 1 52 ASP N N 4.147 7.508 4.004 1.00 . A A . 52 ASP N 1 1 14 13507 1 1 52 ASP O O 5.807 5.030 3.239 1.00 . A A . 52 ASP O 1 1 14 13508 1 1 52 ASP OD1 O 8.283 7.707 5.182 1.00 . A A . 52 ASP OD1 1 1 14 13509 1 1 52 ASP OD2 O 7.978 5.747 6.278 1.00 . A A . 52 ASP OD2 1 1 14 13510 1 1 53 THR C C 8.604 5.031 1.736 1.00 . A A . 53 THR C 1 1 14 13511 1 1 53 THR CA C 7.510 5.863 1.097 1.00 . A A . 53 THR CA 1 1 14 13512 1 1 53 THR CB C 8.134 6.734 0.009 1.00 . A A . 53 THR CB 1 1 14 13513 1 1 53 THR CG2 C 8.065 6.011 -1.336 1.00 . A A . 53 THR CG2 1 1 14 13514 1 1 53 THR H H 6.912 7.646 1.877 1.00 . A A . 53 THR H 1 1 14 13515 1 1 53 THR HA H 6.779 5.207 0.656 1.00 . A A . 53 THR HA 1 1 14 13516 1 1 53 THR HB H 9.181 7.020 0.256 1.00 . A A . 53 THR HB 1 1 14 13517 1 1 53 THR HG1 H 7.909 8.457 -0.801 1.00 . A A . 53 THR HG1 1 1 14 13518 1 1 53 THR HG21 H 8.629 6.575 -2.106 1.00 . A A . 53 THR HG21 1 1 14 13519 1 1 53 THR HG22 H 7.010 5.931 -1.669 1.00 . A A . 53 THR HG22 1 1 14 13520 1 1 53 THR HG23 H 8.484 4.987 -1.268 1.00 . A A . 53 THR HG23 1 1 14 13521 1 1 53 THR N N 6.823 6.672 2.081 1.00 . A A . 53 THR N 1 1 14 13522 1 1 53 THR O O 9.637 5.554 2.148 1.00 . A A . 53 THR O 1 1 14 13523 1 1 53 THR OG1 O 7.409 7.944 -0.150 1.00 . A A . 53 THR OG1 1 1 14 13524 1 1 54 HIS C C 9.415 1.491 2.105 1.00 . A A . 54 HIS C 1 1 14 13525 1 1 54 HIS CA C 9.342 2.898 2.638 1.00 . A A . 54 HIS CA 1 1 14 13526 1 1 54 HIS CB C 9.116 2.923 4.169 1.00 . A A . 54 HIS CB 1 1 14 13527 1 1 54 HIS CD2 C 11.390 1.739 4.741 1.00 . A A . 54 HIS CD2 1 1 14 13528 1 1 54 HIS CE1 C 10.691 0.736 6.549 1.00 . A A . 54 HIS CE1 1 1 14 13529 1 1 54 HIS CG C 10.096 2.090 4.951 1.00 . A A . 54 HIS CG 1 1 14 13530 1 1 54 HIS H H 7.645 3.242 1.454 1.00 . A A . 54 HIS H 1 1 14 13531 1 1 54 HIS HA H 10.330 3.292 2.440 1.00 . A A . 54 HIS HA 1 1 14 13532 1 1 54 HIS HB2 H 9.208 3.974 4.514 1.00 . A A . 54 HIS HB2 1 1 14 13533 1 1 54 HIS HB3 H 8.091 2.605 4.446 1.00 . A A . 54 HIS HB3 1 1 14 13534 1 1 54 HIS HD1 H 8.771 1.487 6.480 1.00 . A A . 54 HIS HD1 1 1 14 13535 1 1 54 HIS HD2 H 12.076 2.026 3.952 1.00 . A A . 54 HIS HD2 1 1 14 13536 1 1 54 HIS HE1 H 10.624 0.130 7.426 1.00 . A A . 54 HIS HE1 1 1 14 13537 1 1 54 HIS HE2 H 12.633 0.448 5.875 1.00 . A A . 54 HIS HE2 1 1 14 13538 1 1 54 HIS N N 8.393 3.715 1.918 1.00 . A A . 54 HIS N 1 1 14 13539 1 1 54 HIS ND1 N 9.690 1.458 6.084 1.00 . A A . 54 HIS ND1 1 1 14 13540 1 1 54 HIS NE2 N 11.740 0.887 5.755 1.00 . A A . 54 HIS NE2 1 1 14 13541 1 1 54 HIS O O 10.273 1.174 1.287 1.00 . A A . 54 HIS O 1 1 14 13542 1 1 55 LYS C C 8.306 -1.359 1.112 1.00 . A A . 55 LYS C 1 1 14 13543 1 1 55 LYS CA C 8.680 -0.830 2.481 1.00 . A A . 55 LYS CA 1 1 14 13544 1 1 55 LYS CB C 7.927 -1.563 3.619 1.00 . A A . 55 LYS CB 1 1 14 13545 1 1 55 LYS CD C 5.627 -0.355 3.696 1.00 . A A . 55 LYS CD 1 1 14 13546 1 1 55 LYS CE C 4.099 -0.516 3.694 1.00 . A A . 55 LYS CE 1 1 14 13547 1 1 55 LYS CG C 6.393 -1.675 3.493 1.00 . A A . 55 LYS CG 1 1 14 13548 1 1 55 LYS H H 7.798 0.817 3.226 1.00 . A A . 55 LYS H 1 1 14 13549 1 1 55 LYS HA H 9.727 -1.029 2.597 1.00 . A A . 55 LYS HA 1 1 14 13550 1 1 55 LYS HB2 H 8.328 -2.591 3.719 1.00 . A A . 55 LYS HB2 1 1 14 13551 1 1 55 LYS HB3 H 8.167 -1.049 4.572 1.00 . A A . 55 LYS HB3 1 1 14 13552 1 1 55 LYS HD2 H 5.941 0.111 4.657 1.00 . A A . 55 LYS HD2 1 1 14 13553 1 1 55 LYS HD3 H 5.889 0.336 2.864 1.00 . A A . 55 LYS HD3 1 1 14 13554 1 1 55 LYS HE2 H 3.617 0.481 3.793 1.00 . A A . 55 LYS HE2 1 1 14 13555 1 1 55 LYS HE3 H 3.758 -0.992 2.751 1.00 . A A . 55 LYS HE3 1 1 14 13556 1 1 55 LYS HG2 H 6.126 -2.112 2.505 1.00 . A A . 55 LYS HG2 1 1 14 13557 1 1 55 LYS HG3 H 6.062 -2.396 4.277 1.00 . A A . 55 LYS HG3 1 1 14 13558 1 1 55 LYS HZ1 H 3.977 -0.953 5.726 1.00 . A A . 55 LYS HZ1 1 1 14 13559 1 1 55 LYS HZ2 H 4.006 -2.319 4.720 1.00 . A A . 55 LYS HZ2 1 1 14 13560 1 1 55 LYS HZ3 H 2.596 -1.388 4.837 1.00 . A A . 55 LYS HZ3 1 1 14 13561 1 1 55 LYS N N 8.554 0.593 2.628 1.00 . A A . 55 LYS N 1 1 14 13562 1 1 55 LYS NZ N 3.640 -1.354 4.827 1.00 . A A . 55 LYS NZ 1 1 14 13563 1 1 55 LYS O O 7.661 -0.691 0.308 1.00 . A A . 55 LYS O 1 1 14 13564 1 1 56 PHE C C 7.315 -3.648 -0.915 1.00 . A A . 56 PHE C 1 1 14 13565 1 1 56 PHE CA C 8.711 -3.197 -0.492 1.00 . A A . 56 PHE CA 1 1 14 13566 1 1 56 PHE CB C 9.743 -4.357 -0.628 1.00 . A A . 56 PHE CB 1 1 14 13567 1 1 56 PHE CD1 C 9.999 -5.320 1.707 1.00 . A A . 56 PHE CD1 1 1 14 13568 1 1 56 PHE CD2 C 8.700 -6.545 0.072 1.00 . A A . 56 PHE CD2 1 1 14 13569 1 1 56 PHE CE1 C 9.722 -6.299 2.664 1.00 . A A . 56 PHE CE1 1 1 14 13570 1 1 56 PHE CE2 C 8.424 -7.528 1.027 1.00 . A A . 56 PHE CE2 1 1 14 13571 1 1 56 PHE CG C 9.488 -5.429 0.400 1.00 . A A . 56 PHE CG 1 1 14 13572 1 1 56 PHE CZ C 8.930 -7.402 2.326 1.00 . A A . 56 PHE CZ 1 1 14 13573 1 1 56 PHE H H 9.204 -3.135 1.524 1.00 . A A . 56 PHE H 1 1 14 13574 1 1 56 PHE HA H 9.010 -2.434 -1.195 1.00 . A A . 56 PHE HA 1 1 14 13575 1 1 56 PHE HB2 H 9.721 -4.811 -1.639 1.00 . A A . 56 PHE HB2 1 1 14 13576 1 1 56 PHE HB3 H 10.773 -3.964 -0.482 1.00 . A A . 56 PHE HB3 1 1 14 13577 1 1 56 PHE HD1 H 10.615 -4.478 1.988 1.00 . A A . 56 PHE HD1 1 1 14 13578 1 1 56 PHE HD2 H 8.286 -6.652 -0.919 1.00 . A A . 56 PHE HD2 1 1 14 13579 1 1 56 PHE HE1 H 10.128 -6.199 3.659 1.00 . A A . 56 PHE HE1 1 1 14 13580 1 1 56 PHE HE2 H 7.820 -8.378 0.747 1.00 . A A . 56 PHE HE2 1 1 14 13581 1 1 56 PHE HZ H 8.721 -8.160 3.066 1.00 . A A . 56 PHE HZ 1 1 14 13582 1 1 56 PHE N N 8.756 -2.592 0.823 1.00 . A A . 56 PHE N 1 1 14 13583 1 1 56 PHE O O 6.334 -3.592 -0.176 1.00 . A A . 56 PHE O 1 1 14 13584 1 1 57 CYS C C 5.455 -5.867 -2.288 1.00 . A A . 57 CYS C 1 1 14 13585 1 1 57 CYS CA C 5.910 -4.488 -2.722 1.00 . A A . 57 CYS CA 1 1 14 13586 1 1 57 CYS CB C 5.953 -4.393 -4.260 1.00 . A A . 57 CYS CB 1 1 14 13587 1 1 57 CYS H H 7.977 -4.194 -2.765 1.00 . A A . 57 CYS H 1 1 14 13588 1 1 57 CYS HA H 5.171 -3.782 -2.370 1.00 . A A . 57 CYS HA 1 1 14 13589 1 1 57 CYS HB2 H 6.352 -3.385 -4.510 1.00 . A A . 57 CYS HB2 1 1 14 13590 1 1 57 CYS HB3 H 6.665 -5.142 -4.667 1.00 . A A . 57 CYS HB3 1 1 14 13591 1 1 57 CYS N N 7.188 -4.115 -2.167 1.00 . A A . 57 CYS N 1 1 14 13592 1 1 57 CYS O O 6.022 -6.892 -2.660 1.00 . A A . 57 CYS O 1 1 14 13593 1 1 57 CYS SG S 4.338 -4.614 -5.056 1.00 . A A . 57 CYS SG 1 1 14 13594 1 1 58 TYR C C 2.908 -7.879 -1.876 1.00 . A A . 58 TYR C 1 1 14 13595 1 1 58 TYR CA C 3.806 -7.100 -0.926 1.00 . A A . 58 TYR CA 1 1 14 13596 1 1 58 TYR CB C 2.953 -6.750 0.335 1.00 . A A . 58 TYR CB 1 1 14 13597 1 1 58 TYR CD1 C 4.593 -7.530 2.038 1.00 . A A . 58 TYR CD1 1 1 14 13598 1 1 58 TYR CD2 C 2.385 -8.510 2.082 1.00 . A A . 58 TYR CD2 1 1 14 13599 1 1 58 TYR CE1 C 4.957 -8.303 3.142 1.00 . A A . 58 TYR CE1 1 1 14 13600 1 1 58 TYR CE2 C 2.748 -9.281 3.189 1.00 . A A . 58 TYR CE2 1 1 14 13601 1 1 58 TYR CG C 3.305 -7.628 1.493 1.00 . A A . 58 TYR CG 1 1 14 13602 1 1 58 TYR CZ C 4.031 -9.176 3.725 1.00 . A A . 58 TYR CZ 1 1 14 13603 1 1 58 TYR H H 4.076 -5.015 -1.146 1.00 . A A . 58 TYR H 1 1 14 13604 1 1 58 TYR HA H 4.612 -7.774 -0.666 1.00 . A A . 58 TYR HA 1 1 14 13605 1 1 58 TYR HB2 H 3.161 -5.720 0.679 1.00 . A A . 58 TYR HB2 1 1 14 13606 1 1 58 TYR HB3 H 1.863 -6.804 0.138 1.00 . A A . 58 TYR HB3 1 1 14 13607 1 1 58 TYR HD1 H 5.312 -6.838 1.625 1.00 . A A . 58 TYR HD1 1 1 14 13608 1 1 58 TYR HD2 H 1.368 -8.593 1.737 1.00 . A A . 58 TYR HD2 1 1 14 13609 1 1 58 TYR HE1 H 5.957 -8.185 3.521 1.00 . A A . 58 TYR HE1 1 1 14 13610 1 1 58 TYR HE2 H 2.012 -9.935 3.627 1.00 . A A . 58 TYR HE2 1 1 14 13611 1 1 58 TYR HH H 5.173 -9.557 5.240 1.00 . A A . 58 TYR HH 1 1 14 13612 1 1 58 TYR N N 4.397 -5.895 -1.476 1.00 . A A . 58 TYR N 1 1 14 13613 1 1 58 TYR O O 2.667 -7.536 -3.033 1.00 . A A . 58 TYR O 1 1 14 13614 1 1 58 TYR OH O 4.357 -9.926 4.869 1.00 . A A . 58 TYR OH 1 1 14 13615 1 1 59 LYS C C 0.015 -8.950 -2.151 1.00 . A A . 59 LYS C 1 1 14 13616 1 1 59 LYS CA C 1.252 -9.764 -1.796 1.00 . A A . 59 LYS CA 1 1 14 13617 1 1 59 LYS CB C 0.834 -10.815 -0.745 1.00 . A A . 59 LYS CB 1 1 14 13618 1 1 59 LYS CD C 1.442 -12.806 0.715 1.00 . A A . 59 LYS CD 1 1 14 13619 1 1 59 LYS CE C 2.556 -13.385 1.593 1.00 . A A . 59 LYS CE 1 1 14 13620 1 1 59 LYS CG C 1.948 -11.775 -0.303 1.00 . A A . 59 LYS CG 1 1 14 13621 1 1 59 LYS H H 2.694 -9.203 -0.421 1.00 . A A . 59 LYS H 1 1 14 13622 1 1 59 LYS HA H 1.574 -10.274 -2.687 1.00 . A A . 59 LYS HA 1 1 14 13623 1 1 59 LYS HB2 H 0.466 -10.280 0.158 1.00 . A A . 59 LYS HB2 1 1 14 13624 1 1 59 LYS HB3 H -0.009 -11.416 -1.157 1.00 . A A . 59 LYS HB3 1 1 14 13625 1 1 59 LYS HD2 H 0.708 -12.311 1.393 1.00 . A A . 59 LYS HD2 1 1 14 13626 1 1 59 LYS HD3 H 0.907 -13.622 0.181 1.00 . A A . 59 LYS HD3 1 1 14 13627 1 1 59 LYS HE2 H 3.076 -12.569 2.141 1.00 . A A . 59 LYS HE2 1 1 14 13628 1 1 59 LYS HE3 H 2.137 -14.109 2.322 1.00 . A A . 59 LYS HE3 1 1 14 13629 1 1 59 LYS HG2 H 2.381 -12.304 -1.181 1.00 . A A . 59 LYS HG2 1 1 14 13630 1 1 59 LYS HG3 H 2.777 -11.217 0.184 1.00 . A A . 59 LYS HG3 1 1 14 13631 1 1 59 LYS HZ1 H 4.254 -14.560 1.396 1.00 . A A . 59 LYS HZ1 1 1 14 13632 1 1 59 LYS HZ2 H 4.053 -13.406 0.166 1.00 . A A . 59 LYS HZ2 1 1 14 13633 1 1 59 LYS HZ3 H 3.090 -14.803 0.180 1.00 . A A . 59 LYS HZ3 1 1 14 13634 1 1 59 LYS N N 2.368 -8.975 -1.327 1.00 . A A . 59 LYS N 1 1 14 13635 1 1 59 LYS NZ N 3.563 -14.091 0.776 1.00 . A A . 59 LYS NZ 1 1 14 13636 1 1 59 LYS O O -0.212 -7.842 -1.665 1.00 . A A . 59 LYS O 1 1 14 13637 1 1 60 ALA C C -3.151 -8.889 -2.346 1.00 . A A . 60 ALA C 1 1 14 13638 1 1 60 ALA CA C -2.075 -8.873 -3.413 1.00 . A A . 60 ALA CA 1 1 14 13639 1 1 60 ALA CB C -2.607 -9.605 -4.647 1.00 . A A . 60 ALA CB 1 1 14 13640 1 1 60 ALA H H -0.646 -10.395 -3.421 1.00 . A A . 60 ALA H 1 1 14 13641 1 1 60 ALA HA H -1.871 -7.837 -3.635 1.00 . A A . 60 ALA HA 1 1 14 13642 1 1 60 ALA HB1 H -1.839 -9.584 -5.451 1.00 . A A . 60 ALA HB1 1 1 14 13643 1 1 60 ALA HB2 H -3.538 -9.132 -5.023 1.00 . A A . 60 ALA HB2 1 1 14 13644 1 1 60 ALA HB3 H -2.811 -10.668 -4.395 1.00 . A A . 60 ALA HB3 1 1 14 13645 1 1 60 ALA N N -0.845 -9.504 -3.011 1.00 . A A . 60 ALA N 1 1 14 13646 1 1 60 ALA O O -3.239 -9.783 -1.513 1.00 . A A . 60 ALA O 1 1 14 13647 1 1 61 CYS C C -6.368 -8.423 -1.809 1.00 . A A . 61 CYS C 1 1 14 13648 1 1 61 CYS CA C -5.103 -7.698 -1.397 1.00 . A A . 61 CYS CA 1 1 14 13649 1 1 61 CYS CB C -5.366 -6.196 -1.114 1.00 . A A . 61 CYS CB 1 1 14 13650 1 1 61 CYS H H -4.003 -7.236 -3.128 1.00 . A A . 61 CYS H 1 1 14 13651 1 1 61 CYS HA H -4.783 -8.170 -0.479 1.00 . A A . 61 CYS HA 1 1 14 13652 1 1 61 CYS HB2 H -4.453 -5.632 -1.405 1.00 . A A . 61 CYS HB2 1 1 14 13653 1 1 61 CYS HB3 H -6.184 -5.804 -1.754 1.00 . A A . 61 CYS HB3 1 1 14 13654 1 1 61 CYS N N -4.050 -7.890 -2.383 1.00 . A A . 61 CYS N 1 1 14 13655 1 1 61 CYS O O -7.491 -7.933 -1.754 1.00 . A A . 61 CYS O 1 1 14 13656 1 1 61 CYS SG S -5.679 -5.859 0.647 1.00 . A A . 61 CYS SG 1 1 14 13657 1 1 62 HIS C C -7.159 -11.558 -1.121 1.00 . A A . 62 HIS C 1 1 14 13658 1 1 62 HIS CA C -7.216 -10.672 -2.344 1.00 . A A . 62 HIS CA 1 1 14 13659 1 1 62 HIS CB C -7.066 -11.491 -3.641 1.00 . A A . 62 HIS CB 1 1 14 13660 1 1 62 HIS CD2 C -7.698 -9.822 -5.558 1.00 . A A . 62 HIS CD2 1 1 14 13661 1 1 62 HIS CE1 C -9.693 -10.633 -5.940 1.00 . A A . 62 HIS CE1 1 1 14 13662 1 1 62 HIS CG C -7.881 -10.896 -4.751 1.00 . A A . 62 HIS CG 1 1 14 13663 1 1 62 HIS H H -5.224 -9.990 -2.221 1.00 . A A . 62 HIS H 1 1 14 13664 1 1 62 HIS HA H -8.183 -10.185 -2.343 1.00 . A A . 62 HIS HA 1 1 14 13665 1 1 62 HIS HB2 H -6.000 -11.552 -3.932 1.00 . A A . 62 HIS HB2 1 1 14 13666 1 1 62 HIS HB3 H -7.411 -12.535 -3.505 1.00 . A A . 62 HIS HB3 1 1 14 13667 1 1 62 HIS HD1 H -9.559 -12.155 -4.539 1.00 . A A . 62 HIS HD1 1 1 14 13668 1 1 62 HIS HD2 H -6.861 -9.134 -5.639 1.00 . A A . 62 HIS HD2 1 1 14 13669 1 1 62 HIS HE1 H -10.675 -10.788 -6.329 1.00 . A A . 62 HIS HE1 1 1 14 13670 1 1 62 HIS HE2 H -9.026 -8.960 -6.970 1.00 . A A . 62 HIS HE2 1 1 14 13671 1 1 62 HIS N N -6.175 -9.682 -2.215 1.00 . A A . 62 HIS N 1 1 14 13672 1 1 62 HIS ND1 N -9.133 -11.378 -5.004 1.00 . A A . 62 HIS ND1 1 1 14 13673 1 1 62 HIS NE2 N -8.844 -9.680 -6.298 1.00 . A A . 62 HIS NE2 1 1 14 13674 1 1 62 HIS O O -6.142 -11.644 -0.437 1.00 . A A . 62 HIS O 1 1 14 13675 1 1 63 ASN C C -9.849 -13.574 0.364 1.00 . A A . 63 ASN C 1 1 14 13676 1 1 63 ASN CA C -8.499 -12.874 0.463 1.00 . A A . 63 ASN CA 1 1 14 13677 1 1 63 ASN CB C -8.393 -11.887 1.680 1.00 . A A . 63 ASN CB 1 1 14 13678 1 1 63 ASN CG C -8.991 -10.492 1.416 1.00 . A A . 63 ASN CG 1 1 14 13679 1 1 63 ASN H H -9.051 -12.302 -1.398 1.00 . A A . 63 ASN H 1 1 14 13680 1 1 63 ASN HA H -7.780 -13.661 0.562 1.00 . A A . 63 ASN HA 1 1 14 13681 1 1 63 ASN HB2 H -8.896 -12.332 2.562 1.00 . A A . 63 ASN HB2 1 1 14 13682 1 1 63 ASN HB3 H -7.314 -11.795 1.915 1.00 . A A . 63 ASN HB3 1 1 14 13683 1 1 63 ASN HD21 H -7.246 -9.400 1.607 1.00 . A A . 63 ASN HD21 1 1 14 13684 1 1 63 ASN HD22 H -8.586 -8.572 0.960 1.00 . A A . 63 ASN HD22 1 1 14 13685 1 1 63 ASN N N -8.273 -12.226 -0.792 1.00 . A A . 63 ASN N 1 1 14 13686 1 1 63 ASN ND2 N -8.171 -9.439 1.211 1.00 . A A . 63 ASN ND2 1 1 14 13687 1 1 63 ASN O O -9.952 -14.751 0.026 1.00 . A A . 63 ASN O 1 1 14 13688 1 1 63 ASN OD1 O -10.221 -10.353 1.389 1.00 . A A . 63 ASN OD1 1 1 14 13689 1 1 64 SER C C -13.240 -12.793 -0.239 1.00 . A A . 64 SER C 1 1 14 13690 1 1 64 SER CA C -12.280 -13.306 0.822 1.00 . A A . 64 SER CA 1 1 14 13691 1 1 64 SER CB C -12.767 -12.836 2.212 1.00 . A A . 64 SER CB 1 1 14 13692 1 1 64 SER H H -10.732 -11.863 0.830 1.00 . A A . 64 SER H 1 1 14 13693 1 1 64 SER HA H -12.296 -14.387 0.781 1.00 . A A . 64 SER HA 1 1 14 13694 1 1 64 SER HB2 H -11.992 -13.129 2.957 1.00 . A A . 64 SER HB2 1 1 14 13695 1 1 64 SER HB3 H -12.853 -11.725 2.236 1.00 . A A . 64 SER HB3 1 1 14 13696 1 1 64 SER HG H -14.656 -13.164 1.958 1.00 . A A . 64 SER HG 1 1 14 13697 1 1 64 SER N N -10.923 -12.830 0.623 1.00 . A A . 64 SER N 1 1 14 13698 1 1 64 SER O O -14.381 -12.432 0.042 1.00 . A A . 64 SER O 1 1 14 13699 1 1 64 SER OG O -13.995 -13.442 2.614 1.00 . A A . 64 SER OG 1 1 14 13700 1 1 65 GLU C C -14.696 -13.243 -3.134 1.00 . A A . 65 GLU C 1 1 14 13701 1 1 65 GLU CA C -13.456 -12.449 -2.749 1.00 . A A . 65 GLU CA 1 1 14 13702 1 1 65 GLU CB C -12.465 -12.459 -3.943 1.00 . A A . 65 GLU CB 1 1 14 13703 1 1 65 GLU CD C -10.743 -14.169 -3.223 1.00 . A A . 65 GLU CD 1 1 14 13704 1 1 65 GLU CG C -11.796 -13.828 -4.264 1.00 . A A . 65 GLU CG 1 1 14 13705 1 1 65 GLU H H -11.839 -13.060 -1.614 1.00 . A A . 65 GLU H 1 1 14 13706 1 1 65 GLU HA H -13.820 -11.443 -2.620 1.00 . A A . 65 GLU HA 1 1 14 13707 1 1 65 GLU HB2 H -12.999 -12.101 -4.852 1.00 . A A . 65 GLU HB2 1 1 14 13708 1 1 65 GLU HB3 H -11.693 -11.691 -3.734 1.00 . A A . 65 GLU HB3 1 1 14 13709 1 1 65 GLU HE2 H -10.294 -15.496 -1.904 1.00 . A A . 65 GLU HE2 1 1 14 13710 1 1 65 GLU HG2 H -12.557 -14.633 -4.327 1.00 . A A . 65 GLU HG2 1 1 14 13711 1 1 65 GLU HG3 H -11.274 -13.770 -5.242 1.00 . A A . 65 GLU HG3 1 1 14 13712 1 1 65 GLU N N -12.774 -12.760 -1.499 1.00 . A A . 65 GLU N 1 1 14 13713 1 1 65 GLU O O -14.934 -13.537 -4.305 1.00 . A A . 65 GLU O 1 1 14 13714 1 1 65 GLU OE1 O -9.866 -13.406 -2.864 1.00 . A A . 65 GLU OE1 1 1 14 13715 1 1 65 GLU OE2 O -10.962 -15.361 -2.584 1.00 . A A . 65 GLU OE2 1 1 14 13716 1 1 66 ILE C C -17.726 -14.123 -1.293 1.00 . A A . 66 ILE C 1 1 14 13717 1 1 66 ILE CA C -16.683 -14.440 -2.339 1.00 . A A . 66 ILE CA 1 1 14 13718 1 1 66 ILE CB C -16.380 -15.946 -2.227 1.00 . A A . 66 ILE CB 1 1 14 13719 1 1 66 ILE CD1 C -14.148 -16.300 -0.901 1.00 . A A . 66 ILE CD1 1 1 14 13720 1 1 66 ILE CG1 C -15.679 -16.376 -0.909 1.00 . A A . 66 ILE CG1 1 1 14 13721 1 1 66 ILE CG2 C -15.657 -16.452 -3.492 1.00 . A A . 66 ILE CG2 1 1 14 13722 1 1 66 ILE H H -15.331 -13.238 -1.257 1.00 . A A . 66 ILE H 1 1 14 13723 1 1 66 ILE HA H -17.132 -14.246 -3.297 1.00 . A A . 66 ILE HA 1 1 14 13724 1 1 66 ILE HB H -17.366 -16.471 -2.232 1.00 . A A . 66 ILE HB 1 1 14 13725 1 1 66 ILE HD11 H -13.759 -16.576 0.103 1.00 . A A . 66 ILE HD11 1 1 14 13726 1 1 66 ILE HD12 H -13.796 -15.283 -1.146 1.00 . A A . 66 ILE HD12 1 1 14 13727 1 1 66 ILE HD13 H -13.712 -17.002 -1.644 1.00 . A A . 66 ILE HD13 1 1 14 13728 1 1 66 ILE HG12 H -16.086 -15.793 -0.057 1.00 . A A . 66 ILE HG12 1 1 14 13729 1 1 66 ILE HG13 H -15.957 -17.434 -0.713 1.00 . A A . 66 ILE HG13 1 1 14 13730 1 1 66 ILE HG21 H -14.649 -15.998 -3.581 1.00 . A A . 66 ILE HG21 1 1 14 13731 1 1 66 ILE HG22 H -16.242 -16.196 -4.400 1.00 . A A . 66 ILE HG22 1 1 14 13732 1 1 66 ILE HG23 H -15.540 -17.555 -3.447 1.00 . A A . 66 ILE HG23 1 1 14 13733 1 1 66 ILE N N -15.561 -13.547 -2.178 1.00 . A A . 66 ILE N 1 1 14 13734 1 1 66 ILE O O -17.467 -13.525 -0.247 1.00 . A A . 66 ILE O 1 1 14 13735 1 1 67 GLU C C -21.101 -15.454 -1.104 1.00 . A A . 67 GLU C 1 1 14 13736 1 1 67 GLU CA C -20.137 -14.297 -0.776 1.00 . A A . 67 GLU CA 1 1 14 13737 1 1 67 GLU CB C -20.821 -12.935 -1.091 1.00 . A A . 67 GLU CB 1 1 14 13738 1 1 67 GLU CD C -20.311 -12.603 -3.604 1.00 . A A . 67 GLU CD 1 1 14 13739 1 1 67 GLU CG C -21.388 -12.758 -2.528 1.00 . A A . 67 GLU CG 1 1 14 13740 1 1 67 GLU H H -19.222 -15.160 -2.325 1.00 . A A . 67 GLU H 1 1 14 13741 1 1 67 GLU HA H -19.876 -14.372 0.271 1.00 . A A . 67 GLU HA 1 1 14 13742 1 1 67 GLU HB2 H -21.673 -12.829 -0.381 1.00 . A A . 67 GLU HB2 1 1 14 13743 1 1 67 GLU HB3 H -20.100 -12.120 -0.870 1.00 . A A . 67 GLU HB3 1 1 14 13744 1 1 67 GLU HE2 H -19.912 -13.076 -5.402 1.00 . A A . 67 GLU HE2 1 1 14 13745 1 1 67 GLU HG2 H -22.039 -13.622 -2.781 1.00 . A A . 67 GLU HG2 1 1 14 13746 1 1 67 GLU HG3 H -22.012 -11.840 -2.554 1.00 . A A . 67 GLU HG3 1 1 14 13747 1 1 67 GLU N N -18.973 -14.542 -1.574 1.00 . A A . 67 GLU N 1 1 14 13748 1 1 67 GLU O O -20.819 -16.187 -2.097 1.00 . A A . 67 GLU O 1 1 14 13749 1 1 67 GLU OXT O -22.117 -15.609 -0.379 1.00 . A A . 67 GLU OXT 1 1 14 13750 1 1 67 GLU OE1 O -19.250 -12.014 -3.503 1.00 . A A . 67 GLU OE1 1 1 14 13751 1 1 67 GLU OE2 O -20.650 -13.191 -4.806 1.00 . A A . 67 GLU OE2 1 1 14 13752 2 2 1 CL CL CL 2.801 -16.537 -1.751 1.00 . B A . 68 CL CL 1 1 14 13753 3 2 1 CL CL CL 0.381 -6.885 14.666 1.00 . C A . 69 CL CL 1 1 14 13754 4 2 1 CL CL CL -6.044 -8.536 3.569 1.00 . D A . 70 CL CL 1 1 14 13755 5 2 1 CL CL CL 0.219 -1.964 4.658 1.00 . E A . 71 CL CL 1 1 14 13756 6 2 1 CL CL CL -0.993 6.154 11.407 1.00 . F A . 72 CL CL 1 1 14 13757 7 2 1 CL CL CL 5.764 -10.576 -1.070 1.00 . G A . 73 CL CL 1 1 14 13758 8 2 1 CL CL CL -9.688 -3.885 -6.501 1.00 . H A . 74 CL CL 1 1 14 13759 9 2 1 CL CL CL 3.557 7.353 -5.647 1.00 . I A . 75 CL CL 1 1 14 13760 10 2 1 CL CL CL 9.101 -1.931 8.440 1.00 . J A . 76 CL CL 1 1 14 13761 11 2 1 CL CL CL -5.826 12.023 7.856 1.00 . K A . 77 CL CL 1 1 14 13762 12 2 1 CL CL CL 4.799 -18.201 6.067 1.00 . L A . 78 CL CL 1 1 15 13763 1 1 1 GLY C C -8.650 -5.941 8.696 1.00 . A A . 1 GLY C 1 1 15 13764 1 1 1 GLY CA C -9.219 -5.499 7.389 1.00 . A A . 1 GLY CA 1 1 15 13765 1 1 1 GLY H1 H -9.995 -3.751 6.568 1.00 . A A . 1 GLY H1 1 1 15 13766 1 1 1 GLY H2 H -8.503 -3.549 7.362 1.00 . A A . 1 GLY H2 1 1 15 13767 1 1 1 GLY H3 H -9.924 -3.754 8.267 1.00 . A A . 1 GLY H3 1 1 15 13768 1 1 1 GLY HA2 H -10.187 -5.952 7.249 1.00 . A A . 1 GLY HA2 1 1 15 13769 1 1 1 GLY HA3 H -8.511 -5.713 6.602 1.00 . A A . 1 GLY HA3 1 1 15 13770 1 1 1 GLY N N -9.426 -4.027 7.394 1.00 . A A . 1 GLY N 1 1 15 13771 1 1 1 GLY O O -7.928 -5.207 9.367 1.00 . A A . 1 GLY O 1 1 15 13772 1 1 2 ASP C C -8.628 -9.107 10.532 1.00 . A A . 2 ASP C 1 1 15 13773 1 1 2 ASP CA C -8.663 -7.598 10.488 1.00 . A A . 2 ASP CA 1 1 15 13774 1 1 2 ASP CB C -9.742 -7.140 11.512 1.00 . A A . 2 ASP CB 1 1 15 13775 1 1 2 ASP CG C -9.780 -5.633 11.614 1.00 . A A . 2 ASP CG 1 1 15 13776 1 1 2 ASP H H -9.548 -7.757 8.571 1.00 . A A . 2 ASP H 1 1 15 13777 1 1 2 ASP HA H -7.673 -7.256 10.774 1.00 . A A . 2 ASP HA 1 1 15 13778 1 1 2 ASP HB2 H -10.748 -7.486 11.191 1.00 . A A . 2 ASP HB2 1 1 15 13779 1 1 2 ASP HB3 H -9.529 -7.562 12.515 1.00 . A A . 2 ASP HB3 1 1 15 13780 1 1 2 ASP HD2 H -8.754 -4.177 12.329 1.00 . A A . 2 ASP HD2 1 1 15 13781 1 1 2 ASP N N -8.966 -7.171 9.132 1.00 . A A . 2 ASP N 1 1 15 13782 1 1 2 ASP O O -9.568 -9.790 10.938 1.00 . A A . 2 ASP O 1 1 15 13783 1 1 2 ASP OD1 O -10.564 -4.897 11.043 1.00 . A A . 2 ASP OD1 1 1 15 13784 1 1 2 ASP OD2 O -8.780 -5.149 12.414 1.00 . A A . 2 ASP OD2 1 1 15 13785 1 1 3 ASP C C -5.754 -11.346 10.350 1.00 . A A . 3 ASP C 1 1 15 13786 1 1 3 ASP CA C -7.246 -11.086 10.214 1.00 . A A . 3 ASP CA 1 1 15 13787 1 1 3 ASP CB C -7.876 -11.829 9.006 1.00 . A A . 3 ASP CB 1 1 15 13788 1 1 3 ASP CG C -8.037 -13.303 9.319 1.00 . A A . 3 ASP CG 1 1 15 13789 1 1 3 ASP H H -6.777 -9.066 9.748 1.00 . A A . 3 ASP H 1 1 15 13790 1 1 3 ASP HA H -7.685 -11.428 11.138 1.00 . A A . 3 ASP HA 1 1 15 13791 1 1 3 ASP HB2 H -8.896 -11.419 8.838 1.00 . A A . 3 ASP HB2 1 1 15 13792 1 1 3 ASP HB3 H -7.297 -11.687 8.075 1.00 . A A . 3 ASP HB3 1 1 15 13793 1 1 3 ASP HD2 H -7.057 -14.960 9.291 1.00 . A A . 3 ASP HD2 1 1 15 13794 1 1 3 ASP N N -7.492 -9.668 10.106 1.00 . A A . 3 ASP N 1 1 15 13795 1 1 3 ASP O O -5.295 -11.895 11.350 1.00 . A A . 3 ASP O 1 1 15 13796 1 1 3 ASP OD1 O -9.007 -13.816 9.843 1.00 . A A . 3 ASP OD1 1 1 15 13797 1 1 3 ASP OD2 O -6.941 -14.046 8.985 1.00 . A A . 3 ASP OD2 1 1 15 13798 1 1 4 VAL C C -2.734 -10.028 9.504 1.00 . A A . 4 VAL C 1 1 15 13799 1 1 4 VAL CA C -3.559 -11.277 9.233 1.00 . A A . 4 VAL CA 1 1 15 13800 1 1 4 VAL CB C -3.188 -11.834 7.854 1.00 . A A . 4 VAL CB 1 1 15 13801 1 1 4 VAL CG1 C -1.954 -12.750 7.972 1.00 . A A . 4 VAL CG1 1 1 15 13802 1 1 4 VAL CG2 C -4.330 -12.673 7.241 1.00 . A A . 4 VAL CG2 1 1 15 13803 1 1 4 VAL H H -5.305 -10.435 8.567 1.00 . A A . 4 VAL H 1 1 15 13804 1 1 4 VAL HA H -3.308 -12.024 9.966 1.00 . A A . 4 VAL HA 1 1 15 13805 1 1 4 VAL HB H -2.978 -10.994 7.156 1.00 . A A . 4 VAL HB 1 1 15 13806 1 1 4 VAL HG11 H -1.067 -12.230 8.377 1.00 . A A . 4 VAL HG11 1 1 15 13807 1 1 4 VAL HG12 H -1.688 -13.147 6.968 1.00 . A A . 4 VAL HG12 1 1 15 13808 1 1 4 VAL HG13 H -2.186 -13.618 8.627 1.00 . A A . 4 VAL HG13 1 1 15 13809 1 1 4 VAL HG21 H -3.981 -13.141 6.295 1.00 . A A . 4 VAL HG21 1 1 15 13810 1 1 4 VAL HG22 H -5.221 -12.066 6.992 1.00 . A A . 4 VAL HG22 1 1 15 13811 1 1 4 VAL HG23 H -4.624 -13.492 7.933 1.00 . A A . 4 VAL HG23 1 1 15 13812 1 1 4 VAL N N -4.963 -10.961 9.334 1.00 . A A . 4 VAL N 1 1 15 13813 1 1 4 VAL O O -3.114 -8.914 9.148 1.00 . A A . 4 VAL O 1 1 15 13814 1 1 5 LYS C C 0.283 -8.881 9.094 1.00 . A A . 5 LYS C 1 1 15 13815 1 1 5 LYS CA C -0.567 -9.146 10.324 1.00 . A A . 5 LYS CA 1 1 15 13816 1 1 5 LYS CB C 0.345 -9.476 11.524 1.00 . A A . 5 LYS CB 1 1 15 13817 1 1 5 LYS CD C 0.519 -11.978 12.042 1.00 . A A . 5 LYS CD 1 1 15 13818 1 1 5 LYS CE C 1.422 -13.211 12.067 1.00 . A A . 5 LYS CE 1 1 15 13819 1 1 5 LYS CG C 1.201 -10.751 11.419 1.00 . A A . 5 LYS CG 1 1 15 13820 1 1 5 LYS H H -1.302 -11.070 10.492 1.00 . A A . 5 LYS H 1 1 15 13821 1 1 5 LYS HA H -1.101 -8.235 10.537 1.00 . A A . 5 LYS HA 1 1 15 13822 1 1 5 LYS HB2 H 1.017 -8.610 11.707 1.00 . A A . 5 LYS HB2 1 1 15 13823 1 1 5 LYS HB3 H -0.305 -9.570 12.419 1.00 . A A . 5 LYS HB3 1 1 15 13824 1 1 5 LYS HD2 H 0.221 -11.723 13.086 1.00 . A A . 5 LYS HD2 1 1 15 13825 1 1 5 LYS HD3 H -0.404 -12.234 11.485 1.00 . A A . 5 LYS HD3 1 1 15 13826 1 1 5 LYS HE2 H 1.717 -13.507 11.038 1.00 . A A . 5 LYS HE2 1 1 15 13827 1 1 5 LYS HE3 H 2.330 -13.013 12.674 1.00 . A A . 5 LYS HE3 1 1 15 13828 1 1 5 LYS HG2 H 1.492 -10.960 10.368 1.00 . A A . 5 LYS HG2 1 1 15 13829 1 1 5 LYS HG3 H 2.143 -10.576 11.990 1.00 . A A . 5 LYS HG3 1 1 15 13830 1 1 5 LYS HZ1 H -0.153 -14.554 12.132 1.00 . A A . 5 LYS HZ1 1 1 15 13831 1 1 5 LYS HZ2 H 0.435 -14.092 13.654 1.00 . A A . 5 LYS HZ2 1 1 15 13832 1 1 5 LYS HZ3 H 1.319 -15.182 12.700 1.00 . A A . 5 LYS HZ3 1 1 15 13833 1 1 5 LYS N N -1.549 -10.190 10.118 1.00 . A A . 5 LYS N 1 1 15 13834 1 1 5 LYS NZ N 0.704 -14.342 12.680 1.00 . A A . 5 LYS NZ 1 1 15 13835 1 1 5 LYS O O 1.131 -7.989 9.057 1.00 . A A . 5 LYS O 1 1 15 13836 1 1 6 SER C C -0.077 -8.116 6.101 1.00 . A A . 6 SER C 1 1 15 13837 1 1 6 SER CA C 0.462 -9.418 6.668 1.00 . A A . 6 SER CA 1 1 15 13838 1 1 6 SER CB C 0.059 -10.562 5.713 1.00 . A A . 6 SER CB 1 1 15 13839 1 1 6 SER H H -0.582 -10.421 8.184 1.00 . A A . 6 SER H 1 1 15 13840 1 1 6 SER HA H 1.540 -9.341 6.662 1.00 . A A . 6 SER HA 1 1 15 13841 1 1 6 SER HB2 H -1.048 -10.685 5.706 1.00 . A A . 6 SER HB2 1 1 15 13842 1 1 6 SER HB3 H 0.388 -10.347 4.673 1.00 . A A . 6 SER HB3 1 1 15 13843 1 1 6 SER HG H 0.341 -12.480 5.539 1.00 . A A . 6 SER HG 1 1 15 13844 1 1 6 SER N N 0.055 -9.672 8.041 1.00 . A A . 6 SER N 1 1 15 13845 1 1 6 SER O O -1.098 -7.585 6.525 1.00 . A A . 6 SER O 1 1 15 13846 1 1 6 SER OG O 0.669 -11.773 6.148 1.00 . A A . 6 SER OG 1 1 15 13847 1 1 7 ALA C C -0.716 -6.992 3.145 1.00 . A A . 7 ALA C 1 1 15 13848 1 1 7 ALA CA C 0.072 -6.453 4.324 1.00 . A A . 7 ALA CA 1 1 15 13849 1 1 7 ALA CB C 1.262 -5.618 3.805 1.00 . A A . 7 ALA CB 1 1 15 13850 1 1 7 ALA H H 1.429 -7.976 4.741 1.00 . A A . 7 ALA H 1 1 15 13851 1 1 7 ALA HA H -0.607 -5.857 4.915 1.00 . A A . 7 ALA HA 1 1 15 13852 1 1 7 ALA HB1 H 1.869 -5.258 4.663 1.00 . A A . 7 ALA HB1 1 1 15 13853 1 1 7 ALA HB2 H 0.932 -4.744 3.206 1.00 . A A . 7 ALA HB2 1 1 15 13854 1 1 7 ALA HB3 H 1.928 -6.250 3.170 1.00 . A A . 7 ALA HB3 1 1 15 13855 1 1 7 ALA N N 0.601 -7.553 5.092 1.00 . A A . 7 ALA N 1 1 15 13856 1 1 7 ALA O O -0.635 -8.169 2.818 1.00 . A A . 7 ALA O 1 1 15 13857 1 1 8 CYS C C -1.754 -5.330 0.176 1.00 . A A . 8 CYS C 1 1 15 13858 1 1 8 CYS CA C -1.942 -6.493 1.122 1.00 . A A . 8 CYS CA 1 1 15 13859 1 1 8 CYS CB C -3.356 -7.139 1.115 1.00 . A A . 8 CYS CB 1 1 15 13860 1 1 8 CYS H H -1.657 -5.208 2.757 1.00 . A A . 8 CYS H 1 1 15 13861 1 1 8 CYS HA H -1.280 -7.254 0.731 1.00 . A A . 8 CYS HA 1 1 15 13862 1 1 8 CYS HB2 H -3.331 -7.981 0.394 1.00 . A A . 8 CYS HB2 1 1 15 13863 1 1 8 CYS HB3 H -3.513 -7.602 2.115 1.00 . A A . 8 CYS HB3 1 1 15 13864 1 1 8 CYS N N -1.470 -6.133 2.443 1.00 . A A . 8 CYS N 1 1 15 13865 1 1 8 CYS O O -1.846 -4.164 0.556 1.00 . A A . 8 CYS O 1 1 15 13866 1 1 8 CYS SG S -4.789 -6.090 0.703 1.00 . A A . 8 CYS SG 1 1 15 13867 1 1 9 CYS C C -1.403 -5.148 -3.430 1.00 . A A . 9 CYS C 1 1 15 13868 1 1 9 CYS CA C -1.001 -4.653 -2.052 1.00 . A A . 9 CYS CA 1 1 15 13869 1 1 9 CYS CB C 0.547 -4.579 -2.046 1.00 . A A . 9 CYS CB 1 1 15 13870 1 1 9 CYS H H -1.246 -6.593 -1.348 1.00 . A A . 9 CYS H 1 1 15 13871 1 1 9 CYS HA H -1.472 -3.696 -1.867 1.00 . A A . 9 CYS HA 1 1 15 13872 1 1 9 CYS HB2 H 0.915 -5.613 -1.857 1.00 . A A . 9 CYS HB2 1 1 15 13873 1 1 9 CYS HB3 H 0.932 -4.294 -3.049 1.00 . A A . 9 CYS HB3 1 1 15 13874 1 1 9 CYS N N -1.398 -5.634 -1.076 1.00 . A A . 9 CYS N 1 1 15 13875 1 1 9 CYS O O -1.040 -6.246 -3.823 1.00 . A A . 9 CYS O 1 1 15 13876 1 1 9 CYS SG S 1.254 -3.457 -0.797 1.00 . A A . 9 CYS SG 1 1 15 13877 1 1 10 ASP C C -1.397 -4.810 -6.574 1.00 . A A . 10 ASP C 1 1 15 13878 1 1 10 ASP CA C -2.546 -4.846 -5.559 1.00 . A A . 10 ASP CA 1 1 15 13879 1 1 10 ASP CB C -3.692 -3.996 -6.159 1.00 . A A . 10 ASP CB 1 1 15 13880 1 1 10 ASP CG C -4.896 -3.831 -5.249 1.00 . A A . 10 ASP CG 1 1 15 13881 1 1 10 ASP H H -2.582 -3.535 -3.921 1.00 . A A . 10 ASP H 1 1 15 13882 1 1 10 ASP HA H -2.877 -5.877 -5.473 1.00 . A A . 10 ASP HA 1 1 15 13883 1 1 10 ASP HB2 H -3.314 -3.002 -6.424 1.00 . A A . 10 ASP HB2 1 1 15 13884 1 1 10 ASP HB3 H -4.026 -4.441 -7.109 1.00 . A A . 10 ASP HB3 1 1 15 13885 1 1 10 ASP HD2 H -5.650 -2.804 -6.744 1.00 . A A . 10 ASP HD2 1 1 15 13886 1 1 10 ASP N N -2.143 -4.367 -4.241 1.00 . A A . 10 ASP N 1 1 15 13887 1 1 10 ASP O O -1.303 -5.644 -7.471 1.00 . A A . 10 ASP O 1 1 15 13888 1 1 10 ASP OD1 O -4.999 -4.253 -4.113 1.00 . A A . 10 ASP OD1 1 1 15 13889 1 1 10 ASP OD2 O -5.853 -3.040 -5.827 1.00 . A A . 10 ASP OD2 1 1 15 13890 1 1 11 THR C C 1.609 -2.684 -6.572 1.00 . A A . 11 THR C 1 1 15 13891 1 1 11 THR CA C 0.569 -3.468 -7.332 1.00 . A A . 11 THR CA 1 1 15 13892 1 1 11 THR CB C 0.155 -2.584 -8.511 1.00 . A A . 11 THR CB 1 1 15 13893 1 1 11 THR CG2 C 1.369 -2.011 -9.258 1.00 . A A . 11 THR CG2 1 1 15 13894 1 1 11 THR H H -0.661 -3.199 -5.650 1.00 . A A . 11 THR H 1 1 15 13895 1 1 11 THR HA H 1.044 -4.372 -7.689 1.00 . A A . 11 THR HA 1 1 15 13896 1 1 11 THR HB H -0.476 -1.738 -8.150 1.00 . A A . 11 THR HB 1 1 15 13897 1 1 11 THR HG1 H -1.224 -2.698 -9.837 1.00 . A A . 11 THR HG1 1 1 15 13898 1 1 11 THR HG21 H 1.071 -1.644 -10.259 1.00 . A A . 11 THR HG21 1 1 15 13899 1 1 11 THR HG22 H 2.150 -2.791 -9.381 1.00 . A A . 11 THR HG22 1 1 15 13900 1 1 11 THR HG23 H 1.807 -1.149 -8.707 1.00 . A A . 11 THR HG23 1 1 15 13901 1 1 11 THR N N -0.507 -3.814 -6.411 1.00 . A A . 11 THR N 1 1 15 13902 1 1 11 THR O O 1.429 -1.526 -6.177 1.00 . A A . 11 THR O 1 1 15 13903 1 1 11 THR OG1 O -0.581 -3.334 -9.463 1.00 . A A . 11 THR OG1 1 1 15 13904 1 1 12 CYS C C 4.785 -2.115 -6.849 1.00 . A A . 12 CYS C 1 1 15 13905 1 1 12 CYS CA C 3.977 -2.858 -5.804 1.00 . A A . 12 CYS CA 1 1 15 13906 1 1 12 CYS CB C 4.797 -4.046 -5.231 1.00 . A A . 12 CYS CB 1 1 15 13907 1 1 12 CYS H H 2.744 -4.326 -6.640 1.00 . A A . 12 CYS H 1 1 15 13908 1 1 12 CYS HA H 3.756 -2.170 -5.012 1.00 . A A . 12 CYS HA 1 1 15 13909 1 1 12 CYS HB2 H 4.150 -4.571 -4.485 1.00 . A A . 12 CYS HB2 1 1 15 13910 1 1 12 CYS HB3 H 5.026 -4.751 -6.069 1.00 . A A . 12 CYS HB3 1 1 15 13911 1 1 12 CYS N N 2.747 -3.354 -6.373 1.00 . A A . 12 CYS N 1 1 15 13912 1 1 12 CYS O O 4.759 -2.445 -8.032 1.00 . A A . 12 CYS O 1 1 15 13913 1 1 12 CYS SG S 6.375 -3.600 -4.450 1.00 . A A . 12 CYS SG 1 1 15 13914 1 1 13 LEU C C 7.448 0.332 -6.495 1.00 . A A . 13 LEU C 1 1 15 13915 1 1 13 LEU CA C 6.317 -0.270 -7.307 1.00 . A A . 13 LEU CA 1 1 15 13916 1 1 13 LEU CB C 5.404 0.808 -7.918 1.00 . A A . 13 LEU CB 1 1 15 13917 1 1 13 LEU CD1 C 4.678 1.881 -10.065 1.00 . A A . 13 LEU CD1 1 1 15 13918 1 1 13 LEU CD2 C 6.804 2.676 -8.979 1.00 . A A . 13 LEU CD2 1 1 15 13919 1 1 13 LEU CG C 5.892 1.467 -9.221 1.00 . A A . 13 LEU CG 1 1 15 13920 1 1 13 LEU H H 5.447 -0.726 -5.490 1.00 . A A . 13 LEU H 1 1 15 13921 1 1 13 LEU HA H 6.745 -0.878 -8.089 1.00 . A A . 13 LEU HA 1 1 15 13922 1 1 13 LEU HB2 H 4.466 0.268 -8.172 1.00 . A A . 13 LEU HB2 1 1 15 13923 1 1 13 LEU HB3 H 5.147 1.563 -7.149 1.00 . A A . 13 LEU HB3 1 1 15 13924 1 1 13 LEU HD11 H 4.100 2.677 -9.555 1.00 . A A . 13 LEU HD11 1 1 15 13925 1 1 13 LEU HD12 H 4.004 1.013 -10.230 1.00 . A A . 13 LEU HD12 1 1 15 13926 1 1 13 LEU HD13 H 4.980 2.274 -11.056 1.00 . A A . 13 LEU HD13 1 1 15 13927 1 1 13 LEU HD21 H 7.098 3.138 -9.946 1.00 . A A . 13 LEU HD21 1 1 15 13928 1 1 13 LEU HD22 H 7.724 2.379 -8.435 1.00 . A A . 13 LEU HD22 1 1 15 13929 1 1 13 LEU HD23 H 6.264 3.439 -8.376 1.00 . A A . 13 LEU HD23 1 1 15 13930 1 1 13 LEU HG H 6.455 0.699 -9.803 1.00 . A A . 13 LEU HG 1 1 15 13931 1 1 13 LEU N N 5.537 -1.090 -6.424 1.00 . A A . 13 LEU N 1 1 15 13932 1 1 13 LEU O O 7.275 0.914 -5.419 1.00 . A A . 13 LEU O 1 1 15 13933 1 1 14 CYS C C 10.398 1.860 -7.037 1.00 . A A . 14 CYS C 1 1 15 13934 1 1 14 CYS CA C 9.900 0.581 -6.394 1.00 . A A . 14 CYS CA 1 1 15 13935 1 1 14 CYS CB C 11.035 -0.471 -6.371 1.00 . A A . 14 CYS CB 1 1 15 13936 1 1 14 CYS H H 8.787 -0.496 -7.775 1.00 . A A . 14 CYS H 1 1 15 13937 1 1 14 CYS HA H 9.696 0.860 -5.379 1.00 . A A . 14 CYS HA 1 1 15 13938 1 1 14 CYS HB2 H 11.292 -0.737 -7.415 1.00 . A A . 14 CYS HB2 1 1 15 13939 1 1 14 CYS HB3 H 11.948 -0.006 -5.948 1.00 . A A . 14 CYS HB3 1 1 15 13940 1 1 14 CYS N N 8.680 0.067 -6.965 1.00 . A A . 14 CYS N 1 1 15 13941 1 1 14 CYS O O 10.360 2.034 -8.257 1.00 . A A . 14 CYS O 1 1 15 13942 1 1 14 CYS SG S 10.673 -2.010 -5.445 1.00 . A A . 14 CYS SG 1 1 15 13943 1 1 15 THR C C 12.907 3.847 -7.321 1.00 . A A . 15 THR C 1 1 15 13944 1 1 15 THR CA C 11.536 4.019 -6.706 1.00 . A A . 15 THR CA 1 1 15 13945 1 1 15 THR CB C 11.724 5.094 -5.632 1.00 . A A . 15 THR CB 1 1 15 13946 1 1 15 THR CG2 C 10.343 5.522 -5.120 1.00 . A A . 15 THR CG2 1 1 15 13947 1 1 15 THR H H 10.925 2.659 -5.220 1.00 . A A . 15 THR H 1 1 15 13948 1 1 15 THR HA H 10.895 4.440 -7.463 1.00 . A A . 15 THR HA 1 1 15 13949 1 1 15 THR HB H 12.224 5.984 -6.088 1.00 . A A . 15 THR HB 1 1 15 13950 1 1 15 THR HG1 H 13.246 5.237 -4.426 1.00 . A A . 15 THR HG1 1 1 15 13951 1 1 15 THR HG21 H 10.437 6.352 -4.390 1.00 . A A . 15 THR HG21 1 1 15 13952 1 1 15 THR HG22 H 9.822 4.680 -4.619 1.00 . A A . 15 THR HG22 1 1 15 13953 1 1 15 THR HG23 H 9.711 5.867 -5.967 1.00 . A A . 15 THR HG23 1 1 15 13954 1 1 15 THR N N 10.930 2.782 -6.218 1.00 . A A . 15 THR N 1 1 15 13955 1 1 15 THR O O 13.705 3.001 -6.920 1.00 . A A . 15 THR O 1 1 15 13956 1 1 15 THR OG1 O 12.487 4.628 -4.516 1.00 . A A . 15 THR OG1 1 1 15 13957 1 1 16 ARG C C 15.089 6.128 -7.692 1.00 . A A . 16 ARG C 1 1 15 13958 1 1 16 ARG CA C 14.599 5.044 -8.632 1.00 . A A . 16 ARG CA 1 1 15 13959 1 1 16 ARG CB C 14.792 5.481 -10.095 1.00 . A A . 16 ARG CB 1 1 15 13960 1 1 16 ARG CD C 13.687 4.171 -12.037 1.00 . A A . 16 ARG CD 1 1 15 13961 1 1 16 ARG CG C 14.873 4.300 -11.077 1.00 . A A . 16 ARG CG 1 1 15 13962 1 1 16 ARG CZ C 11.206 3.956 -11.758 1.00 . A A . 16 ARG CZ 1 1 15 13963 1 1 16 ARG H H 12.568 5.364 -8.641 1.00 . A A . 16 ARG H 1 1 15 13964 1 1 16 ARG HA H 15.216 4.178 -8.484 1.00 . A A . 16 ARG HA 1 1 15 13965 1 1 16 ARG HB2 H 13.983 6.179 -10.379 1.00 . A A . 16 ARG HB2 1 1 15 13966 1 1 16 ARG HB3 H 15.755 6.032 -10.193 1.00 . A A . 16 ARG HB3 1 1 15 13967 1 1 16 ARG HD2 H 13.519 5.131 -12.569 1.00 . A A . 16 ARG HD2 1 1 15 13968 1 1 16 ARG HD3 H 13.868 3.362 -12.775 1.00 . A A . 16 ARG HD3 1 1 15 13969 1 1 16 ARG HE H 12.586 3.447 -10.334 1.00 . A A . 16 ARG HE 1 1 15 13970 1 1 16 ARG HG2 H 15.783 4.459 -11.700 1.00 . A A . 16 ARG HG2 1 1 15 13971 1 1 16 ARG HG3 H 15.025 3.346 -10.526 1.00 . A A . 16 ARG HG3 1 1 15 13972 1 1 16 ARG HH11 H 11.785 4.703 -13.578 1.00 . A A . 16 ARG HH11 1 1 15 13973 1 1 16 ARG HH12 H 10.071 4.544 -13.365 1.00 . A A . 16 ARG HH12 1 1 15 13974 1 1 16 ARG HH21 H 10.289 3.234 -10.069 1.00 . A A . 16 ARG HH21 1 1 15 13975 1 1 16 ARG HH22 H 9.211 3.693 -11.352 1.00 . A A . 16 ARG HH22 1 1 15 13976 1 1 16 ARG N N 13.236 4.698 -8.308 1.00 . A A . 16 ARG N 1 1 15 13977 1 1 16 ARG NE N 12.467 3.814 -11.255 1.00 . A A . 16 ARG NE 1 1 15 13978 1 1 16 ARG NH1 N 11.001 4.439 -13.015 1.00 . A A . 16 ARG NH1 1 1 15 13979 1 1 16 ARG NH2 N 10.136 3.606 -10.986 1.00 . A A . 16 ARG NH2 1 1 15 13980 1 1 16 ARG O O 14.631 7.267 -7.735 1.00 . A A . 16 ARG O 1 1 15 13981 1 1 17 SER C C 17.697 5.937 -5.160 1.00 . A A . 17 SER C 1 1 15 13982 1 1 17 SER CA C 16.550 6.683 -5.794 1.00 . A A . 17 SER CA 1 1 15 13983 1 1 17 SER CB C 15.459 7.076 -4.740 1.00 . A A . 17 SER CB 1 1 15 13984 1 1 17 SER H H 16.441 4.890 -6.813 1.00 . A A . 17 SER H 1 1 15 13985 1 1 17 SER HA H 16.959 7.569 -6.248 1.00 . A A . 17 SER HA 1 1 15 13986 1 1 17 SER HB2 H 15.840 7.847 -4.045 1.00 . A A . 17 SER HB2 1 1 15 13987 1 1 17 SER HB3 H 14.620 7.563 -5.284 1.00 . A A . 17 SER HB3 1 1 15 13988 1 1 17 SER HG H 15.527 5.777 -3.271 1.00 . A A . 17 SER HG 1 1 15 13989 1 1 17 SER N N 16.068 5.811 -6.842 1.00 . A A . 17 SER N 1 1 15 13990 1 1 17 SER O O 18.179 4.962 -5.738 1.00 . A A . 17 SER O 1 1 15 13991 1 1 17 SER OG O 14.920 5.964 -4.014 1.00 . A A . 17 SER OG 1 1 15 13992 1 1 18 GLN C C 19.372 6.008 -1.921 1.00 . A A . 18 GLN C 1 1 15 13993 1 1 18 GLN CA C 19.393 5.806 -3.431 1.00 . A A . 18 GLN CA 1 1 15 13994 1 1 18 GLN CB C 20.600 6.550 -4.024 1.00 . A A . 18 GLN CB 1 1 15 13995 1 1 18 GLN CD C 23.074 6.748 -4.282 1.00 . A A . 18 GLN CD 1 1 15 13996 1 1 18 GLN CG C 21.962 6.015 -3.545 1.00 . A A . 18 GLN CG 1 1 15 13997 1 1 18 GLN H H 17.865 7.181 -3.540 1.00 . A A . 18 GLN H 1 1 15 13998 1 1 18 GLN HA H 19.475 4.759 -3.673 1.00 . A A . 18 GLN HA 1 1 15 13999 1 1 18 GLN HB2 H 20.533 6.437 -5.129 1.00 . A A . 18 GLN HB2 1 1 15 14000 1 1 18 GLN HB3 H 20.502 7.637 -3.811 1.00 . A A . 18 GLN HB3 1 1 15 14001 1 1 18 GLN HE21 H 22.822 5.548 -5.893 1.00 . A A . 18 GLN HE21 1 1 15 14002 1 1 18 GLN HE22 H 24.085 6.780 -6.032 1.00 . A A . 18 GLN HE22 1 1 15 14003 1 1 18 GLN HG2 H 22.093 6.184 -2.455 1.00 . A A . 18 GLN HG2 1 1 15 14004 1 1 18 GLN HG3 H 22.045 4.926 -3.748 1.00 . A A . 18 GLN HG3 1 1 15 14005 1 1 18 GLN N N 18.187 6.359 -3.989 1.00 . A A . 18 GLN N 1 1 15 14006 1 1 18 GLN NE2 N 23.351 6.321 -5.531 1.00 . A A . 18 GLN NE2 1 1 15 14007 1 1 18 GLN O O 19.625 7.116 -1.445 1.00 . A A . 18 GLN O 1 1 15 14008 1 1 18 GLN OE1 O 23.650 7.700 -3.750 1.00 . A A . 18 GLN OE1 1 1 15 14009 1 1 19 PRO C C 17.206 3.717 -2.171 1.00 . A A . 19 PRO C 1 1 15 14010 1 1 19 PRO CA C 18.595 3.672 -1.533 1.00 . A A . 19 PRO CA 1 1 15 14011 1 1 19 PRO CB C 18.564 2.893 -0.207 1.00 . A A . 19 PRO CB 1 1 15 14012 1 1 19 PRO CD C 18.936 5.202 0.323 1.00 . A A . 19 PRO CD 1 1 15 14013 1 1 19 PRO CG C 18.218 3.954 0.838 1.00 . A A . 19 PRO CG 1 1 15 14014 1 1 19 PRO HA H 19.289 3.246 -2.244 1.00 . A A . 19 PRO HA 1 1 15 14015 1 1 19 PRO HB2 H 17.830 2.056 -0.207 1.00 . A A . 19 PRO HB2 1 1 15 14016 1 1 19 PRO HB3 H 19.591 2.506 0.002 1.00 . A A . 19 PRO HB3 1 1 15 14017 1 1 19 PRO HD2 H 18.352 6.122 0.554 1.00 . A A . 19 PRO HD2 1 1 15 14018 1 1 19 PRO HD3 H 19.955 5.279 0.763 1.00 . A A . 19 PRO HD3 1 1 15 14019 1 1 19 PRO HG2 H 17.121 4.139 0.841 1.00 . A A . 19 PRO HG2 1 1 15 14020 1 1 19 PRO HG3 H 18.545 3.667 1.858 1.00 . A A . 19 PRO HG3 1 1 15 14021 1 1 19 PRO N N 19.057 4.995 -1.120 1.00 . A A . 19 PRO N 1 1 15 14022 1 1 19 PRO O O 16.504 4.721 -2.011 1.00 . A A . 19 PRO O 1 1 15 14023 1 1 20 PRO C C 14.459 2.369 -2.159 1.00 . A A . 20 PRO C 1 1 15 14024 1 1 20 PRO CA C 15.372 2.627 -3.334 1.00 . A A . 20 PRO CA 1 1 15 14025 1 1 20 PRO CB C 15.373 1.457 -4.324 1.00 . A A . 20 PRO CB 1 1 15 14026 1 1 20 PRO CD C 17.527 1.526 -3.300 1.00 . A A . 20 PRO CD 1 1 15 14027 1 1 20 PRO CG C 16.471 0.536 -3.801 1.00 . A A . 20 PRO CG 1 1 15 14028 1 1 20 PRO HA H 15.054 3.544 -3.802 1.00 . A A . 20 PRO HA 1 1 15 14029 1 1 20 PRO HB2 H 14.393 0.949 -4.418 1.00 . A A . 20 PRO HB2 1 1 15 14030 1 1 20 PRO HB3 H 15.671 1.839 -5.327 1.00 . A A . 20 PRO HB3 1 1 15 14031 1 1 20 PRO HD2 H 18.099 1.093 -2.449 1.00 . A A . 20 PRO HD2 1 1 15 14032 1 1 20 PRO HD3 H 18.211 1.812 -4.132 1.00 . A A . 20 PRO HD3 1 1 15 14033 1 1 20 PRO HG2 H 16.082 -0.067 -2.951 1.00 . A A . 20 PRO HG2 1 1 15 14034 1 1 20 PRO HG3 H 16.851 -0.142 -4.589 1.00 . A A . 20 PRO HG3 1 1 15 14035 1 1 20 PRO N N 16.757 2.708 -2.903 1.00 . A A . 20 PRO N 1 1 15 14036 1 1 20 PRO O O 14.900 2.030 -1.061 1.00 . A A . 20 PRO O 1 1 15 14037 1 1 21 THR C C 10.939 2.273 -2.080 1.00 . A A . 21 THR C 1 1 15 14038 1 1 21 THR CA C 12.170 2.710 -1.350 1.00 . A A . 21 THR CA 1 1 15 14039 1 1 21 THR CB C 12.022 4.182 -0.958 1.00 . A A . 21 THR CB 1 1 15 14040 1 1 21 THR CG2 C 10.848 4.425 -0.003 1.00 . A A . 21 THR CG2 1 1 15 14041 1 1 21 THR H H 12.859 2.788 -3.305 1.00 . A A . 21 THR H 1 1 15 14042 1 1 21 THR HA H 12.342 2.053 -0.509 1.00 . A A . 21 THR HA 1 1 15 14043 1 1 21 THR HB H 11.873 4.792 -1.885 1.00 . A A . 21 THR HB 1 1 15 14044 1 1 21 THR HG1 H 13.910 4.617 -0.894 1.00 . A A . 21 THR HG1 1 1 15 14045 1 1 21 THR HG21 H 9.873 4.161 -0.463 1.00 . A A . 21 THR HG21 1 1 15 14046 1 1 21 THR HG22 H 10.806 5.506 0.254 1.00 . A A . 21 THR HG22 1 1 15 14047 1 1 21 THR HG23 H 10.986 3.863 0.939 1.00 . A A . 21 THR HG23 1 1 15 14048 1 1 21 THR N N 13.159 2.510 -2.386 1.00 . A A . 21 THR N 1 1 15 14049 1 1 21 THR O O 10.732 2.596 -3.247 1.00 . A A . 21 THR O 1 1 15 14050 1 1 21 THR OG1 O 13.180 4.631 -0.260 1.00 . A A . 21 THR OG1 1 1 15 14051 1 1 22 CYS C C 8.028 0.274 -1.531 1.00 . A A . 22 CYS C 1 1 15 14052 1 1 22 CYS CA C 9.285 0.560 -2.282 1.00 . A A . 22 CYS CA 1 1 15 14053 1 1 22 CYS CB C 10.010 -0.736 -2.735 1.00 . A A . 22 CYS CB 1 1 15 14054 1 1 22 CYS H H 10.230 1.139 -0.493 1.00 . A A . 22 CYS H 1 1 15 14055 1 1 22 CYS HA H 8.952 1.113 -3.151 1.00 . A A . 22 CYS HA 1 1 15 14056 1 1 22 CYS HB2 H 11.016 -0.426 -3.087 1.00 . A A . 22 CYS HB2 1 1 15 14057 1 1 22 CYS HB3 H 10.156 -1.421 -1.872 1.00 . A A . 22 CYS HB3 1 1 15 14058 1 1 22 CYS N N 10.160 1.370 -1.466 1.00 . A A . 22 CYS N 1 1 15 14059 1 1 22 CYS O O 8.038 0.125 -0.307 1.00 . A A . 22 CYS O 1 1 15 14060 1 1 22 CYS SG S 9.190 -1.592 -4.113 1.00 . A A . 22 CYS SG 1 1 15 14061 1 1 23 ARG C C 4.589 0.002 -2.751 1.00 . A A . 23 ARG C 1 1 15 14062 1 1 23 ARG CA C 5.606 0.200 -1.667 1.00 . A A . 23 ARG CA 1 1 15 14063 1 1 23 ARG CB C 5.288 1.522 -0.911 1.00 . A A . 23 ARG CB 1 1 15 14064 1 1 23 ARG CD C 4.988 4.037 -0.947 1.00 . A A . 23 ARG CD 1 1 15 14065 1 1 23 ARG CG C 5.192 2.778 -1.790 1.00 . A A . 23 ARG CG 1 1 15 14066 1 1 23 ARG CZ C 3.932 6.219 -1.673 1.00 . A A . 23 ARG CZ 1 1 15 14067 1 1 23 ARG H H 6.950 0.310 -3.278 1.00 . A A . 23 ARG H 1 1 15 14068 1 1 23 ARG HA H 5.525 -0.644 -1.006 1.00 . A A . 23 ARG HA 1 1 15 14069 1 1 23 ARG HB2 H 4.344 1.429 -0.335 1.00 . A A . 23 ARG HB2 1 1 15 14070 1 1 23 ARG HB3 H 6.097 1.707 -0.172 1.00 . A A . 23 ARG HB3 1 1 15 14071 1 1 23 ARG HD2 H 4.089 3.892 -0.312 1.00 . A A . 23 ARG HD2 1 1 15 14072 1 1 23 ARG HD3 H 5.878 4.243 -0.320 1.00 . A A . 23 ARG HD3 1 1 15 14073 1 1 23 ARG HE H 5.261 5.146 -2.772 1.00 . A A . 23 ARG HE 1 1 15 14074 1 1 23 ARG HG2 H 6.119 2.888 -2.393 1.00 . A A . 23 ARG HG2 1 1 15 14075 1 1 23 ARG HG3 H 4.334 2.677 -2.492 1.00 . A A . 23 ARG HG3 1 1 15 14076 1 1 23 ARG HH11 H 3.416 5.716 0.250 1.00 . A A . 23 ARG HH11 1 1 15 14077 1 1 23 ARG HH12 H 2.630 7.123 -0.357 1.00 . A A . 23 ARG HH12 1 1 15 14078 1 1 23 ARG HH21 H 4.210 6.949 -3.561 1.00 . A A . 23 ARG HH21 1 1 15 14079 1 1 23 ARG HH22 H 3.106 7.871 -2.597 1.00 . A A . 23 ARG HH22 1 1 15 14080 1 1 23 ARG N N 6.914 0.210 -2.275 1.00 . A A . 23 ARG N 1 1 15 14081 1 1 23 ARG NE N 4.795 5.181 -1.889 1.00 . A A . 23 ARG NE 1 1 15 14082 1 1 23 ARG NH1 N 3.265 6.365 -0.496 1.00 . A A . 23 ARG NH1 1 1 15 14083 1 1 23 ARG NH2 N 3.750 7.113 -2.686 1.00 . A A . 23 ARG NH2 1 1 15 14084 1 1 23 ARG O O 4.906 0.005 -3.935 1.00 . A A . 23 ARG O 1 1 15 14085 1 1 24 CYS C C 1.527 0.961 -3.571 1.00 . A A . 24 CYS C 1 1 15 14086 1 1 24 CYS CA C 2.259 -0.336 -3.346 1.00 . A A . 24 CYS CA 1 1 15 14087 1 1 24 CYS CB C 1.329 -1.527 -3.056 1.00 . A A . 24 CYS CB 1 1 15 14088 1 1 24 CYS H H 3.062 -0.308 -1.429 1.00 . A A . 24 CYS H 1 1 15 14089 1 1 24 CYS HA H 2.692 -0.561 -4.307 1.00 . A A . 24 CYS HA 1 1 15 14090 1 1 24 CYS HB2 H 0.528 -1.576 -3.822 1.00 . A A . 24 CYS HB2 1 1 15 14091 1 1 24 CYS HB3 H 1.976 -2.419 -3.201 1.00 . A A . 24 CYS HB3 1 1 15 14092 1 1 24 CYS N N 3.323 -0.232 -2.380 1.00 . A A . 24 CYS N 1 1 15 14093 1 1 24 CYS O O 1.136 1.663 -2.643 1.00 . A A . 24 CYS O 1 1 15 14094 1 1 24 CYS SG S 0.582 -1.640 -1.404 1.00 . A A . 24 CYS SG 1 1 15 14095 1 1 25 VAL C C -0.680 2.749 -5.004 1.00 . A A . 25 VAL C 1 1 15 14096 1 1 25 VAL CA C 0.782 2.546 -5.357 1.00 . A A . 25 VAL CA 1 1 15 14097 1 1 25 VAL CB C 1.031 2.742 -6.843 1.00 . A A . 25 VAL CB 1 1 15 14098 1 1 25 VAL CG1 C 2.540 2.992 -6.995 1.00 . A A . 25 VAL CG1 1 1 15 14099 1 1 25 VAL CG2 C 0.565 1.538 -7.692 1.00 . A A . 25 VAL CG2 1 1 15 14100 1 1 25 VAL H H 1.661 0.664 -5.572 1.00 . A A . 25 VAL H 1 1 15 14101 1 1 25 VAL HA H 1.287 3.346 -4.845 1.00 . A A . 25 VAL HA 1 1 15 14102 1 1 25 VAL HB H 0.499 3.657 -7.200 1.00 . A A . 25 VAL HB 1 1 15 14103 1 1 25 VAL HG11 H 3.116 2.098 -6.674 1.00 . A A . 25 VAL HG11 1 1 15 14104 1 1 25 VAL HG12 H 2.864 3.862 -6.382 1.00 . A A . 25 VAL HG12 1 1 15 14105 1 1 25 VAL HG13 H 2.780 3.216 -8.054 1.00 . A A . 25 VAL HG13 1 1 15 14106 1 1 25 VAL HG21 H 0.737 1.759 -8.767 1.00 . A A . 25 VAL HG21 1 1 15 14107 1 1 25 VAL HG22 H -0.518 1.344 -7.557 1.00 . A A . 25 VAL HG22 1 1 15 14108 1 1 25 VAL HG23 H 1.134 0.613 -7.470 1.00 . A A . 25 VAL HG23 1 1 15 14109 1 1 25 VAL N N 1.388 1.317 -4.863 1.00 . A A . 25 VAL N 1 1 15 14110 1 1 25 VAL O O -1.238 3.843 -5.099 1.00 . A A . 25 VAL O 1 1 15 14111 1 1 26 ASP C C -3.377 2.218 -3.300 1.00 . A A . 26 ASP C 1 1 15 14112 1 1 26 ASP CA C -2.763 1.534 -4.498 1.00 . A A . 26 ASP CA 1 1 15 14113 1 1 26 ASP CB C -3.222 0.066 -4.492 1.00 . A A . 26 ASP CB 1 1 15 14114 1 1 26 ASP CG C -2.729 -0.543 -5.770 1.00 . A A . 26 ASP CG 1 1 15 14115 1 1 26 ASP H H -0.779 0.837 -4.481 1.00 . A A . 26 ASP H 1 1 15 14116 1 1 26 ASP HA H -3.172 2.015 -5.369 1.00 . A A . 26 ASP HA 1 1 15 14117 1 1 26 ASP HB2 H -2.830 -0.477 -3.609 1.00 . A A . 26 ASP HB2 1 1 15 14118 1 1 26 ASP HB3 H -4.333 0.018 -4.491 1.00 . A A . 26 ASP HB3 1 1 15 14119 1 1 26 ASP HD2 H -1.198 -1.357 -6.531 1.00 . A A . 26 ASP HD2 1 1 15 14120 1 1 26 ASP N N -1.333 1.651 -4.610 1.00 . A A . 26 ASP N 1 1 15 14121 1 1 26 ASP O O -3.008 1.992 -2.149 1.00 . A A . 26 ASP O 1 1 15 14122 1 1 26 ASP OD1 O -3.301 -0.524 -6.837 1.00 . A A . 26 ASP OD1 1 1 15 14123 1 1 26 ASP OD2 O -1.502 -1.148 -5.642 1.00 . A A . 26 ASP OD2 1 1 15 14124 1 1 27 VAL C C -6.343 2.932 -2.106 1.00 . A A . 27 VAL C 1 1 15 14125 1 1 27 VAL CA C -5.150 3.749 -2.574 1.00 . A A . 27 VAL CA 1 1 15 14126 1 1 27 VAL CB C -5.484 5.125 -3.113 1.00 . A A . 27 VAL CB 1 1 15 14127 1 1 27 VAL CG1 C -6.623 5.119 -4.142 1.00 . A A . 27 VAL CG1 1 1 15 14128 1 1 27 VAL CG2 C -5.839 6.058 -1.961 1.00 . A A . 27 VAL CG2 1 1 15 14129 1 1 27 VAL H H -4.620 3.266 -4.524 1.00 . A A . 27 VAL H 1 1 15 14130 1 1 27 VAL HA H -4.533 3.902 -1.699 1.00 . A A . 27 VAL HA 1 1 15 14131 1 1 27 VAL HB H -4.558 5.500 -3.608 1.00 . A A . 27 VAL HB 1 1 15 14132 1 1 27 VAL HG11 H -7.574 4.868 -3.625 1.00 . A A . 27 VAL HG11 1 1 15 14133 1 1 27 VAL HG12 H -6.440 4.384 -4.952 1.00 . A A . 27 VAL HG12 1 1 15 14134 1 1 27 VAL HG13 H -6.728 6.134 -4.582 1.00 . A A . 27 VAL HG13 1 1 15 14135 1 1 27 VAL HG21 H -5.074 5.999 -1.161 1.00 . A A . 27 VAL HG21 1 1 15 14136 1 1 27 VAL HG22 H -6.827 5.767 -1.550 1.00 . A A . 27 VAL HG22 1 1 15 14137 1 1 27 VAL HG23 H -5.895 7.106 -2.331 1.00 . A A . 27 VAL HG23 1 1 15 14138 1 1 27 VAL N N -4.382 3.056 -3.577 1.00 . A A . 27 VAL N 1 1 15 14139 1 1 27 VAL O O -7.157 2.442 -2.888 1.00 . A A . 27 VAL O 1 1 15 14140 1 1 28 ARG C C -8.271 2.387 0.797 1.00 . A A . 28 ARG C 1 1 15 14141 1 1 28 ARG CA C -7.354 1.738 -0.219 1.00 . A A . 28 ARG CA 1 1 15 14142 1 1 28 ARG CB C -6.586 0.576 0.461 1.00 . A A . 28 ARG CB 1 1 15 14143 1 1 28 ARG CD C -6.086 -0.737 -1.756 1.00 . A A . 28 ARG CD 1 1 15 14144 1 1 28 ARG CG C -5.556 -0.131 -0.445 1.00 . A A . 28 ARG CG 1 1 15 14145 1 1 28 ARG CZ C -7.402 -2.914 -1.571 1.00 . A A . 28 ARG CZ 1 1 15 14146 1 1 28 ARG H H -5.773 3.131 -0.160 1.00 . A A . 28 ARG H 1 1 15 14147 1 1 28 ARG HA H -7.999 1.339 -0.985 1.00 . A A . 28 ARG HA 1 1 15 14148 1 1 28 ARG HB2 H -6.007 1.008 1.309 1.00 . A A . 28 ARG HB2 1 1 15 14149 1 1 28 ARG HB3 H -7.292 -0.172 0.873 1.00 . A A . 28 ARG HB3 1 1 15 14150 1 1 28 ARG HD2 H -7.016 -0.259 -2.109 1.00 . A A . 28 ARG HD2 1 1 15 14151 1 1 28 ARG HD3 H -5.313 -0.543 -2.523 1.00 . A A . 28 ARG HD3 1 1 15 14152 1 1 28 ARG HE H -5.395 -2.780 -1.810 1.00 . A A . 28 ARG HE 1 1 15 14153 1 1 28 ARG HG2 H -4.812 0.641 -0.752 1.00 . A A . 28 ARG HG2 1 1 15 14154 1 1 28 ARG HG3 H -5.009 -0.897 0.146 1.00 . A A . 28 ARG HG3 1 1 15 14155 1 1 28 ARG HH11 H -8.623 -1.287 -1.273 1.00 . A A . 28 ARG HH11 1 1 15 14156 1 1 28 ARG HH12 H -9.433 -2.815 -1.320 1.00 . A A . 28 ARG HH12 1 1 15 14157 1 1 28 ARG HH21 H -6.533 -4.748 -1.888 1.00 . A A . 28 ARG HH21 1 1 15 14158 1 1 28 ARG HH22 H -8.251 -4.786 -1.657 1.00 . A A . 28 ARG HH22 1 1 15 14159 1 1 28 ARG N N -6.425 2.700 -0.785 1.00 . A A . 28 ARG N 1 1 15 14160 1 1 28 ARG NE N -6.218 -2.234 -1.659 1.00 . A A . 28 ARG NE 1 1 15 14161 1 1 28 ARG NH1 N -8.589 -2.280 -1.364 1.00 . A A . 28 ARG NH1 1 1 15 14162 1 1 28 ARG NH2 N -7.391 -4.274 -1.695 1.00 . A A . 28 ARG NH2 1 1 15 14163 1 1 28 ARG O O -8.124 3.551 1.156 1.00 . A A . 28 ARG O 1 1 15 14164 1 1 29 GLU C C -9.452 2.326 3.690 1.00 . A A . 29 GLU C 1 1 15 14165 1 1 29 GLU CA C -10.134 1.891 2.407 1.00 . A A . 29 GLU CA 1 1 15 14166 1 1 29 GLU CB C -10.907 0.609 2.758 1.00 . A A . 29 GLU CB 1 1 15 14167 1 1 29 GLU CD C -12.727 -1.018 2.308 1.00 . A A . 29 GLU CD 1 1 15 14168 1 1 29 GLU CG C -11.969 0.167 1.727 1.00 . A A . 29 GLU CG 1 1 15 14169 1 1 29 GLU H H -9.311 0.665 0.979 1.00 . A A . 29 GLU H 1 1 15 14170 1 1 29 GLU HA H -10.797 2.687 2.110 1.00 . A A . 29 GLU HA 1 1 15 14171 1 1 29 GLU HB2 H -10.163 -0.210 2.892 1.00 . A A . 29 GLU HB2 1 1 15 14172 1 1 29 GLU HB3 H -11.427 0.751 3.734 1.00 . A A . 29 GLU HB3 1 1 15 14173 1 1 29 GLU HE2 H -14.237 -2.108 2.061 1.00 . A A . 29 GLU HE2 1 1 15 14174 1 1 29 GLU HG2 H -12.691 0.992 1.547 1.00 . A A . 29 GLU HG2 1 1 15 14175 1 1 29 GLU HG3 H -11.510 -0.136 0.766 1.00 . A A . 29 GLU HG3 1 1 15 14176 1 1 29 GLU N N -9.248 1.602 1.296 1.00 . A A . 29 GLU N 1 1 15 14177 1 1 29 GLU O O -9.980 3.095 4.491 1.00 . A A . 29 GLU O 1 1 15 14178 1 1 29 GLU OE1 O -12.481 -1.565 3.366 1.00 . A A . 29 GLU OE1 1 1 15 14179 1 1 29 GLU OE2 O -13.774 -1.434 1.529 1.00 . A A . 29 GLU OE2 1 1 15 14180 1 1 30 SER C C -6.094 1.625 4.898 1.00 . A A . 30 SER C 1 1 15 14181 1 1 30 SER CA C -7.562 1.784 5.176 1.00 . A A . 30 SER CA 1 1 15 14182 1 1 30 SER CB C -7.932 0.565 6.094 1.00 . A A . 30 SER CB 1 1 15 14183 1 1 30 SER H H -7.851 1.240 3.171 1.00 . A A . 30 SER H 1 1 15 14184 1 1 30 SER HA H -7.719 2.739 5.658 1.00 . A A . 30 SER HA 1 1 15 14185 1 1 30 SER HB2 H -7.667 -0.386 5.575 1.00 . A A . 30 SER HB2 1 1 15 14186 1 1 30 SER HB3 H -7.346 0.598 7.043 1.00 . A A . 30 SER HB3 1 1 15 14187 1 1 30 SER HG H -9.389 -0.192 7.096 1.00 . A A . 30 SER HG 1 1 15 14188 1 1 30 SER N N -8.260 1.768 3.909 1.00 . A A . 30 SER N 1 1 15 14189 1 1 30 SER O O -5.682 1.351 3.774 1.00 . A A . 30 SER O 1 1 15 14190 1 1 30 SER OG O -9.322 0.510 6.431 1.00 . A A . 30 SER OG 1 1 15 14191 1 1 31 CYS C C -3.729 0.052 6.724 1.00 . A A . 31 CYS C 1 1 15 14192 1 1 31 CYS CA C -3.883 1.326 5.917 1.00 . A A . 31 CYS CA 1 1 15 14193 1 1 31 CYS CB C -2.998 2.407 6.566 1.00 . A A . 31 CYS CB 1 1 15 14194 1 1 31 CYS H H -5.610 2.043 6.840 1.00 . A A . 31 CYS H 1 1 15 14195 1 1 31 CYS HA H -3.564 1.120 4.901 1.00 . A A . 31 CYS HA 1 1 15 14196 1 1 31 CYS HB2 H -3.408 2.605 7.587 1.00 . A A . 31 CYS HB2 1 1 15 14197 1 1 31 CYS HB3 H -1.946 2.067 6.677 1.00 . A A . 31 CYS HB3 1 1 15 14198 1 1 31 CYS N N -5.265 1.741 5.942 1.00 . A A . 31 CYS N 1 1 15 14199 1 1 31 CYS O O -4.634 -0.388 7.429 1.00 . A A . 31 CYS O 1 1 15 14200 1 1 31 CYS SG S -3.032 3.936 5.595 1.00 . A A . 31 CYS SG 1 1 15 14201 1 1 32 HIS C C -0.959 -1.163 8.330 1.00 . A A . 32 HIS C 1 1 15 14202 1 1 32 HIS CA C -2.139 -1.631 7.528 1.00 . A A . 32 HIS CA 1 1 15 14203 1 1 32 HIS CB C -1.763 -2.904 6.720 1.00 . A A . 32 HIS CB 1 1 15 14204 1 1 32 HIS CD2 C -0.243 -4.735 7.805 1.00 . A A . 32 HIS CD2 1 1 15 14205 1 1 32 HIS CE1 C -1.806 -5.650 9.021 1.00 . A A . 32 HIS CE1 1 1 15 14206 1 1 32 HIS CG C -1.414 -4.108 7.543 1.00 . A A . 32 HIS CG 1 1 15 14207 1 1 32 HIS H H -1.803 -0.159 6.112 1.00 . A A . 32 HIS H 1 1 15 14208 1 1 32 HIS HA H -2.925 -1.894 8.217 1.00 . A A . 32 HIS HA 1 1 15 14209 1 1 32 HIS HB2 H -2.677 -3.212 6.161 1.00 . A A . 32 HIS HB2 1 1 15 14210 1 1 32 HIS HB3 H -0.931 -2.675 6.021 1.00 . A A . 32 HIS HB3 1 1 15 14211 1 1 32 HIS HD1 H -3.343 -4.484 8.284 1.00 . A A . 32 HIS HD1 1 1 15 14212 1 1 32 HIS HD2 H 0.746 -4.592 7.388 1.00 . A A . 32 HIS HD2 1 1 15 14213 1 1 32 HIS HE1 H -2.347 -6.285 9.683 1.00 . A A . 32 HIS HE1 1 1 15 14214 1 1 32 HIS HE2 H 0.144 -6.352 9.109 1.00 . A A . 32 HIS HE2 1 1 15 14215 1 1 32 HIS N N -2.532 -0.552 6.657 1.00 . A A . 32 HIS N 1 1 15 14216 1 1 32 HIS ND1 N -2.366 -4.695 8.312 1.00 . A A . 32 HIS ND1 1 1 15 14217 1 1 32 HIS NE2 N -0.512 -5.686 8.746 1.00 . A A . 32 HIS NE2 1 1 15 14218 1 1 32 HIS O O -0.365 -0.127 8.047 1.00 . A A . 32 HIS O 1 1 15 14219 1 1 33 SER C C 1.959 -1.631 9.469 1.00 . A A . 33 SER C 1 1 15 14220 1 1 33 SER CA C 0.622 -1.865 10.169 1.00 . A A . 33 SER CA 1 1 15 14221 1 1 33 SER CB C 0.730 -3.143 11.047 1.00 . A A . 33 SER CB 1 1 15 14222 1 1 33 SER H H -1.118 -2.759 9.558 1.00 . A A . 33 SER H 1 1 15 14223 1 1 33 SER HA H 0.426 -0.998 10.791 1.00 . A A . 33 SER HA 1 1 15 14224 1 1 33 SER HB2 H 1.152 -3.985 10.453 1.00 . A A . 33 SER HB2 1 1 15 14225 1 1 33 SER HB3 H 1.399 -2.983 11.922 1.00 . A A . 33 SER HB3 1 1 15 14226 1 1 33 SER HG H -0.450 -3.902 12.393 1.00 . A A . 33 SER HG 1 1 15 14227 1 1 33 SER N N -0.534 -1.996 9.290 1.00 . A A . 33 SER N 1 1 15 14228 1 1 33 SER O O 2.958 -1.283 10.086 1.00 . A A . 33 SER O 1 1 15 14229 1 1 33 SER OG O -0.573 -3.530 11.498 1.00 . A A . 33 SER OG 1 1 15 14230 1 1 34 ALA C C 3.333 0.019 7.041 1.00 . A A . 34 ALA C 1 1 15 14231 1 1 34 ALA CA C 3.049 -1.473 7.218 1.00 . A A . 34 ALA CA 1 1 15 14232 1 1 34 ALA CB C 2.664 -2.063 5.844 1.00 . A A . 34 ALA CB 1 1 15 14233 1 1 34 ALA H H 1.110 -1.970 7.698 1.00 . A A . 34 ALA H 1 1 15 14234 1 1 34 ALA HA H 3.944 -1.928 7.600 1.00 . A A . 34 ALA HA 1 1 15 14235 1 1 34 ALA HB1 H 1.720 -1.614 5.465 1.00 . A A . 34 ALA HB1 1 1 15 14236 1 1 34 ALA HB2 H 2.542 -3.163 5.928 1.00 . A A . 34 ALA HB2 1 1 15 14237 1 1 34 ALA HB3 H 3.458 -1.865 5.092 1.00 . A A . 34 ALA HB3 1 1 15 14238 1 1 34 ALA N N 1.972 -1.766 8.130 1.00 . A A . 34 ALA N 1 1 15 14239 1 1 34 ALA O O 4.341 0.420 6.455 1.00 . A A . 34 ALA O 1 1 15 14240 1 1 35 CYS C C 2.552 3.109 8.496 1.00 . A A . 35 CYS C 1 1 15 14241 1 1 35 CYS CA C 2.351 2.286 7.240 1.00 . A A . 35 CYS CA 1 1 15 14242 1 1 35 CYS CB C 0.954 2.636 6.678 1.00 . A A . 35 CYS CB 1 1 15 14243 1 1 35 CYS H H 1.604 0.508 7.992 1.00 . A A . 35 CYS H 1 1 15 14244 1 1 35 CYS HA H 3.118 2.558 6.530 1.00 . A A . 35 CYS HA 1 1 15 14245 1 1 35 CYS HB2 H 0.196 2.402 7.464 1.00 . A A . 35 CYS HB2 1 1 15 14246 1 1 35 CYS HB3 H 0.893 3.719 6.438 1.00 . A A . 35 CYS HB3 1 1 15 14247 1 1 35 CYS N N 2.400 0.868 7.505 1.00 . A A . 35 CYS N 1 1 15 14248 1 1 35 CYS O O 1.795 2.989 9.451 1.00 . A A . 35 CYS O 1 1 15 14249 1 1 35 CYS SG S 0.568 1.627 5.215 1.00 . A A . 35 CYS SG 1 1 15 14250 1 1 36 ASP C C 3.133 6.231 9.526 1.00 . A A . 36 ASP C 1 1 15 14251 1 1 36 ASP CA C 3.794 4.869 9.667 1.00 . A A . 36 ASP CA 1 1 15 14252 1 1 36 ASP CB C 5.307 5.040 9.912 1.00 . A A . 36 ASP CB 1 1 15 14253 1 1 36 ASP CG C 5.820 3.743 10.494 1.00 . A A . 36 ASP CG 1 1 15 14254 1 1 36 ASP H H 4.215 4.051 7.759 1.00 . A A . 36 ASP H 1 1 15 14255 1 1 36 ASP HA H 3.337 4.438 10.552 1.00 . A A . 36 ASP HA 1 1 15 14256 1 1 36 ASP HB2 H 5.858 5.267 8.978 1.00 . A A . 36 ASP HB2 1 1 15 14257 1 1 36 ASP HB3 H 5.507 5.858 10.632 1.00 . A A . 36 ASP HB3 1 1 15 14258 1 1 36 ASP HD2 H 6.056 2.907 12.207 1.00 . A A . 36 ASP HD2 1 1 15 14259 1 1 36 ASP N N 3.563 4.001 8.521 1.00 . A A . 36 ASP N 1 1 15 14260 1 1 36 ASP O O 2.767 6.866 10.513 1.00 . A A . 36 ASP O 1 1 15 14261 1 1 36 ASP OD1 O 6.324 2.813 9.892 1.00 . A A . 36 ASP OD1 1 1 15 14262 1 1 36 ASP OD2 O 5.604 3.679 11.843 1.00 . A A . 36 ASP OD2 1 1 15 14263 1 1 37 LYS C C 0.961 7.275 7.112 1.00 . A A . 37 LYS C 1 1 15 14264 1 1 37 LYS CA C 2.028 7.806 8.030 1.00 . A A . 37 LYS CA 1 1 15 14265 1 1 37 LYS CB C 2.712 9.046 7.423 1.00 . A A . 37 LYS CB 1 1 15 14266 1 1 37 LYS CD C 1.221 10.896 8.414 1.00 . A A . 37 LYS CD 1 1 15 14267 1 1 37 LYS CE C 0.382 12.139 8.102 1.00 . A A . 37 LYS CE 1 1 15 14268 1 1 37 LYS CG C 1.767 10.227 7.145 1.00 . A A . 37 LYS CG 1 1 15 14269 1 1 37 LYS H H 3.295 6.256 7.500 1.00 . A A . 37 LYS H 1 1 15 14270 1 1 37 LYS HA H 1.529 8.101 8.940 1.00 . A A . 37 LYS HA 1 1 15 14271 1 1 37 LYS HB2 H 3.525 9.378 8.100 1.00 . A A . 37 LYS HB2 1 1 15 14272 1 1 37 LYS HB3 H 3.205 8.771 6.476 1.00 . A A . 37 LYS HB3 1 1 15 14273 1 1 37 LYS HD2 H 0.597 10.168 8.983 1.00 . A A . 37 LYS HD2 1 1 15 14274 1 1 37 LYS HD3 H 2.081 11.193 9.059 1.00 . A A . 37 LYS HD3 1 1 15 14275 1 1 37 LYS HE2 H 0.990 12.892 7.558 1.00 . A A . 37 LYS HE2 1 1 15 14276 1 1 37 LYS HE3 H -0.505 11.870 7.491 1.00 . A A . 37 LYS HE3 1 1 15 14277 1 1 37 LYS HG2 H 2.338 10.987 6.568 1.00 . A A . 37 LYS HG2 1 1 15 14278 1 1 37 LYS HG3 H 0.922 9.899 6.502 1.00 . A A . 37 LYS HG3 1 1 15 14279 1 1 37 LYS HZ1 H 0.721 12.975 9.963 1.00 . A A . 37 LYS HZ1 1 1 15 14280 1 1 37 LYS HZ2 H -0.733 12.109 9.848 1.00 . A A . 37 LYS HZ2 1 1 15 14281 1 1 37 LYS HZ3 H -0.600 13.645 9.133 1.00 . A A . 37 LYS HZ3 1 1 15 14282 1 1 37 LYS N N 2.935 6.719 8.294 1.00 . A A . 37 LYS N 1 1 15 14283 1 1 37 LYS NZ N -0.094 12.763 9.352 1.00 . A A . 37 LYS NZ 1 1 15 14284 1 1 37 LYS O O 1.135 7.146 5.901 1.00 . A A . 37 LYS O 1 1 15 14285 1 1 38 CYS C C -2.157 8.017 6.894 1.00 . A A . 38 CYS C 1 1 15 14286 1 1 38 CYS CA C -1.415 6.706 7.012 1.00 . A A . 38 CYS CA 1 1 15 14287 1 1 38 CYS CB C -2.253 5.711 7.830 1.00 . A A . 38 CYS CB 1 1 15 14288 1 1 38 CYS H H -0.267 6.884 8.706 1.00 . A A . 38 CYS H 1 1 15 14289 1 1 38 CYS HA H -1.234 6.339 6.012 1.00 . A A . 38 CYS HA 1 1 15 14290 1 1 38 CYS HB2 H -1.610 4.818 8.017 1.00 . A A . 38 CYS HB2 1 1 15 14291 1 1 38 CYS HB3 H -2.473 6.169 8.826 1.00 . A A . 38 CYS HB3 1 1 15 14292 1 1 38 CYS N N -0.179 6.910 7.701 1.00 . A A . 38 CYS N 1 1 15 14293 1 1 38 CYS O O -2.678 8.550 7.873 1.00 . A A . 38 CYS O 1 1 15 14294 1 1 38 CYS SG S -3.770 5.221 6.962 1.00 . A A . 38 CYS SG 1 1 15 14295 1 1 39 VAL C C -4.303 9.329 4.838 1.00 . A A . 39 VAL C 1 1 15 14296 1 1 39 VAL CA C -2.986 9.775 5.448 1.00 . A A . 39 VAL CA 1 1 15 14297 1 1 39 VAL CB C -2.140 10.635 4.536 1.00 . A A . 39 VAL CB 1 1 15 14298 1 1 39 VAL CG1 C -2.428 10.421 3.057 1.00 . A A . 39 VAL CG1 1 1 15 14299 1 1 39 VAL CG2 C -2.338 12.104 4.846 1.00 . A A . 39 VAL CG2 1 1 15 14300 1 1 39 VAL H H -1.834 8.180 4.854 1.00 . A A . 39 VAL H 1 1 15 14301 1 1 39 VAL HA H -3.185 10.306 6.367 1.00 . A A . 39 VAL HA 1 1 15 14302 1 1 39 VAL HB H -1.069 10.373 4.703 1.00 . A A . 39 VAL HB 1 1 15 14303 1 1 39 VAL HG11 H -1.769 11.106 2.488 1.00 . A A . 39 VAL HG11 1 1 15 14304 1 1 39 VAL HG12 H -3.473 10.706 2.821 1.00 . A A . 39 VAL HG12 1 1 15 14305 1 1 39 VAL HG13 H -2.249 9.361 2.789 1.00 . A A . 39 VAL HG13 1 1 15 14306 1 1 39 VAL HG21 H -3.381 12.391 4.596 1.00 . A A . 39 VAL HG21 1 1 15 14307 1 1 39 VAL HG22 H -1.640 12.675 4.197 1.00 . A A . 39 VAL HG22 1 1 15 14308 1 1 39 VAL HG23 H -2.111 12.309 5.912 1.00 . A A . 39 VAL HG23 1 1 15 14309 1 1 39 VAL N N -2.227 8.579 5.686 1.00 . A A . 39 VAL N 1 1 15 14310 1 1 39 VAL O O -4.313 8.308 4.153 1.00 . A A . 39 VAL O 1 1 15 14311 1 1 40 CYS C C -7.687 10.614 4.165 1.00 . A A . 40 CYS C 1 1 15 14312 1 1 40 CYS CA C -6.701 9.530 4.540 1.00 . A A . 40 CYS CA 1 1 15 14313 1 1 40 CYS CB C -7.443 8.660 5.574 1.00 . A A . 40 CYS CB 1 1 15 14314 1 1 40 CYS H H -5.485 10.808 5.669 1.00 . A A . 40 CYS H 1 1 15 14315 1 1 40 CYS HA H -6.537 8.969 3.642 1.00 . A A . 40 CYS HA 1 1 15 14316 1 1 40 CYS HB2 H -7.566 9.278 6.477 1.00 . A A . 40 CYS HB2 1 1 15 14317 1 1 40 CYS HB3 H -8.455 8.454 5.191 1.00 . A A . 40 CYS HB3 1 1 15 14318 1 1 40 CYS N N -5.439 10.026 5.056 1.00 . A A . 40 CYS N 1 1 15 14319 1 1 40 CYS O O -8.226 11.325 5.017 1.00 . A A . 40 CYS O 1 1 15 14320 1 1 40 CYS SG S -6.657 7.082 6.022 1.00 . A A . 40 CYS SG 1 1 15 14321 1 1 41 ALA C C -10.442 11.063 2.637 1.00 . A A . 41 ALA C 1 1 15 14322 1 1 41 ALA CA C -9.036 11.549 2.318 1.00 . A A . 41 ALA CA 1 1 15 14323 1 1 41 ALA CB C -8.895 11.778 0.809 1.00 . A A . 41 ALA CB 1 1 15 14324 1 1 41 ALA H H -7.565 10.067 2.240 1.00 . A A . 41 ALA H 1 1 15 14325 1 1 41 ALA HA H -8.950 12.528 2.778 1.00 . A A . 41 ALA HA 1 1 15 14326 1 1 41 ALA HB1 H -7.872 12.143 0.579 1.00 . A A . 41 ALA HB1 1 1 15 14327 1 1 41 ALA HB2 H -9.625 12.545 0.470 1.00 . A A . 41 ALA HB2 1 1 15 14328 1 1 41 ALA HB3 H -9.074 10.850 0.239 1.00 . A A . 41 ALA HB3 1 1 15 14329 1 1 41 ALA N N -7.960 10.746 2.859 1.00 . A A . 41 ALA N 1 1 15 14330 1 1 41 ALA O O -10.752 9.871 2.628 1.00 . A A . 41 ALA O 1 1 15 14331 1 1 42 TYR C C -13.753 11.522 2.312 1.00 . A A . 42 TYR C 1 1 15 14332 1 1 42 TYR CA C -12.696 11.866 3.352 1.00 . A A . 42 TYR CA 1 1 15 14333 1 1 42 TYR CB C -13.058 13.144 4.140 1.00 . A A . 42 TYR CB 1 1 15 14334 1 1 42 TYR CD1 C -13.635 14.914 2.404 1.00 . A A . 42 TYR CD1 1 1 15 14335 1 1 42 TYR CD2 C -11.518 15.087 3.565 1.00 . A A . 42 TYR CD2 1 1 15 14336 1 1 42 TYR CE1 C -13.323 16.065 1.664 1.00 . A A . 42 TYR CE1 1 1 15 14337 1 1 42 TYR CE2 C -11.207 16.232 2.820 1.00 . A A . 42 TYR CE2 1 1 15 14338 1 1 42 TYR CG C -12.741 14.412 3.367 1.00 . A A . 42 TYR CG 1 1 15 14339 1 1 42 TYR CZ C -12.109 16.722 1.875 1.00 . A A . 42 TYR CZ 1 1 15 14340 1 1 42 TYR H H -11.057 12.974 2.793 1.00 . A A . 42 TYR H 1 1 15 14341 1 1 42 TYR HA H -12.682 11.036 4.035 1.00 . A A . 42 TYR HA 1 1 15 14342 1 1 42 TYR HB2 H -14.122 13.147 4.451 1.00 . A A . 42 TYR HB2 1 1 15 14343 1 1 42 TYR HB3 H -12.429 13.122 5.058 1.00 . A A . 42 TYR HB3 1 1 15 14344 1 1 42 TYR HD1 H -14.564 14.403 2.200 1.00 . A A . 42 TYR HD1 1 1 15 14345 1 1 42 TYR HD2 H -10.786 14.724 4.273 1.00 . A A . 42 TYR HD2 1 1 15 14346 1 1 42 TYR HE1 H -14.017 16.432 0.923 1.00 . A A . 42 TYR HE1 1 1 15 14347 1 1 42 TYR HE2 H -10.259 16.726 2.963 1.00 . A A . 42 TYR HE2 1 1 15 14348 1 1 42 TYR HH H -12.239 17.802 0.271 1.00 . A A . 42 TYR HH 1 1 15 14349 1 1 42 TYR N N -11.344 12.026 2.857 1.00 . A A . 42 TYR N 1 1 15 14350 1 1 42 TYR O O -14.948 11.779 2.478 1.00 . A A . 42 TYR O 1 1 15 14351 1 1 42 TYR OH O -11.764 17.859 1.119 1.00 . A A . 42 TYR OH 1 1 15 14352 1 1 43 SER C C -15.016 9.285 0.387 1.00 . A A . 43 SER C 1 1 15 14353 1 1 43 SER CA C -14.007 10.388 0.075 1.00 . A A . 43 SER CA 1 1 15 14354 1 1 43 SER CB C -13.026 9.841 -0.992 1.00 . A A . 43 SER CB 1 1 15 14355 1 1 43 SER H H -12.302 10.781 1.223 1.00 . A A . 43 SER H 1 1 15 14356 1 1 43 SER HA H -14.561 11.199 -0.366 1.00 . A A . 43 SER HA 1 1 15 14357 1 1 43 SER HB2 H -12.513 8.942 -0.578 1.00 . A A . 43 SER HB2 1 1 15 14358 1 1 43 SER HB3 H -13.573 9.556 -1.919 1.00 . A A . 43 SER HB3 1 1 15 14359 1 1 43 SER HG H -11.449 10.386 -1.968 1.00 . A A . 43 SER HG 1 1 15 14360 1 1 43 SER N N -13.285 10.917 1.219 1.00 . A A . 43 SER N 1 1 15 14361 1 1 43 SER O O -15.299 8.935 1.531 1.00 . A A . 43 SER O 1 1 15 14362 1 1 43 SER OG O -12.046 10.819 -1.341 1.00 . A A . 43 SER OG 1 1 15 14363 1 1 44 ASN C C -16.274 6.736 -1.828 1.00 . A A . 44 ASN C 1 1 15 14364 1 1 44 ASN CA C -16.540 7.618 -0.609 1.00 . A A . 44 ASN CA 1 1 15 14365 1 1 44 ASN CB C -17.943 8.268 -0.694 1.00 . A A . 44 ASN CB 1 1 15 14366 1 1 44 ASN CG C -19.107 7.281 -0.727 1.00 . A A . 44 ASN CG 1 1 15 14367 1 1 44 ASN H H -15.408 9.035 -1.573 1.00 . A A . 44 ASN H 1 1 15 14368 1 1 44 ASN HA H -16.432 7.054 0.300 1.00 . A A . 44 ASN HA 1 1 15 14369 1 1 44 ASN HB2 H -18.057 8.902 0.204 1.00 . A A . 44 ASN HB2 1 1 15 14370 1 1 44 ASN HB3 H -17.971 8.953 -1.560 1.00 . A A . 44 ASN HB3 1 1 15 14371 1 1 44 ASN HD21 H -18.986 7.020 -2.752 1.00 . A A . 44 ASN HD21 1 1 15 14372 1 1 44 ASN HD22 H -20.302 6.225 -1.994 1.00 . A A . 44 ASN HD22 1 1 15 14373 1 1 44 ASN N N -15.558 8.663 -0.664 1.00 . A A . 44 ASN N 1 1 15 14374 1 1 44 ASN ND2 N -19.512 6.825 -1.931 1.00 . A A . 44 ASN ND2 1 1 15 14375 1 1 44 ASN O O -16.634 7.125 -2.939 1.00 . A A . 44 ASN O 1 1 15 14376 1 1 44 ASN OD1 O -19.652 6.911 0.316 1.00 . A A . 44 ASN OD1 1 1 15 14377 1 1 45 PRO C C -13.950 5.785 0.062 1.00 . A A . 45 PRO C 1 1 15 14378 1 1 45 PRO CA C -15.153 5.003 -0.442 1.00 . A A . 45 PRO CA 1 1 15 14379 1 1 45 PRO CB C -14.782 3.568 -0.852 1.00 . A A . 45 PRO CB 1 1 15 14380 1 1 45 PRO CD C -15.315 4.755 -2.859 1.00 . A A . 45 PRO CD 1 1 15 14381 1 1 45 PRO CG C -14.363 3.685 -2.320 1.00 . A A . 45 PRO CG 1 1 15 14382 1 1 45 PRO HA H -15.926 5.053 0.308 1.00 . A A . 45 PRO HA 1 1 15 14383 1 1 45 PRO HB2 H -14.023 3.109 -0.203 1.00 . A A . 45 PRO HB2 1 1 15 14384 1 1 45 PRO HB3 H -15.690 2.937 -0.778 1.00 . A A . 45 PRO HB3 1 1 15 14385 1 1 45 PRO HD2 H -14.830 5.363 -3.655 1.00 . A A . 45 PRO HD2 1 1 15 14386 1 1 45 PRO HD3 H -16.250 4.292 -3.246 1.00 . A A . 45 PRO HD3 1 1 15 14387 1 1 45 PRO HG2 H -13.319 4.052 -2.383 1.00 . A A . 45 PRO HG2 1 1 15 14388 1 1 45 PRO HG3 H -14.439 2.728 -2.872 1.00 . A A . 45 PRO HG3 1 1 15 14389 1 1 45 PRO N N -15.650 5.573 -1.692 1.00 . A A . 45 PRO N 1 1 15 14390 1 1 45 PRO O O -13.341 6.492 -0.747 1.00 . A A . 45 PRO O 1 1 15 14391 1 1 46 PRO C C -11.194 6.207 1.239 1.00 . A A . 46 PRO C 1 1 15 14392 1 1 46 PRO CA C -12.514 6.617 1.837 1.00 . A A . 46 PRO CA 1 1 15 14393 1 1 46 PRO CB C -12.543 6.398 3.347 1.00 . A A . 46 PRO CB 1 1 15 14394 1 1 46 PRO CD C -14.100 4.870 2.371 1.00 . A A . 46 PRO CD 1 1 15 14395 1 1 46 PRO CG C -13.068 4.974 3.496 1.00 . A A . 46 PRO CG 1 1 15 14396 1 1 46 PRO HA H -12.693 7.645 1.570 1.00 . A A . 46 PRO HA 1 1 15 14397 1 1 46 PRO HB2 H -11.555 6.553 3.824 1.00 . A A . 46 PRO HB2 1 1 15 14398 1 1 46 PRO HB3 H -13.279 7.101 3.800 1.00 . A A . 46 PRO HB3 1 1 15 14399 1 1 46 PRO HD2 H -14.158 3.811 2.001 1.00 . A A . 46 PRO HD2 1 1 15 14400 1 1 46 PRO HD3 H -15.078 5.282 2.732 1.00 . A A . 46 PRO HD3 1 1 15 14401 1 1 46 PRO HG2 H -12.245 4.247 3.313 1.00 . A A . 46 PRO HG2 1 1 15 14402 1 1 46 PRO HG3 H -13.503 4.818 4.501 1.00 . A A . 46 PRO HG3 1 1 15 14403 1 1 46 PRO N N -13.582 5.768 1.338 1.00 . A A . 46 PRO N 1 1 15 14404 1 1 46 PRO O O -11.028 5.063 0.820 1.00 . A A . 46 PRO O 1 1 15 14405 1 1 47 GLN C C -7.990 6.964 1.597 1.00 . A A . 47 GLN C 1 1 15 14406 1 1 47 GLN CA C -8.999 6.883 0.507 1.00 . A A . 47 GLN CA 1 1 15 14407 1 1 47 GLN CB C -8.668 7.932 -0.573 1.00 . A A . 47 GLN CB 1 1 15 14408 1 1 47 GLN CD C -9.802 6.883 -2.629 1.00 . A A . 47 GLN CD 1 1 15 14409 1 1 47 GLN CG C -9.722 8.084 -1.691 1.00 . A A . 47 GLN CG 1 1 15 14410 1 1 47 GLN H H -10.333 8.043 1.571 1.00 . A A . 47 GLN H 1 1 15 14411 1 1 47 GLN HA H -8.938 5.889 0.099 1.00 . A A . 47 GLN HA 1 1 15 14412 1 1 47 GLN HB2 H -8.563 8.920 -0.077 1.00 . A A . 47 GLN HB2 1 1 15 14413 1 1 47 GLN HB3 H -7.693 7.693 -1.032 1.00 . A A . 47 GLN HB3 1 1 15 14414 1 1 47 GLN HE21 H -10.858 5.818 -1.253 1.00 . A A . 47 GLN HE21 1 1 15 14415 1 1 47 GLN HE22 H -10.593 5.026 -2.783 1.00 . A A . 47 GLN HE22 1 1 15 14416 1 1 47 GLN HG2 H -10.715 8.247 -1.236 1.00 . A A . 47 GLN HG2 1 1 15 14417 1 1 47 GLN HG3 H -9.456 8.969 -2.307 1.00 . A A . 47 GLN HG3 1 1 15 14418 1 1 47 GLN N N -10.260 7.149 1.127 1.00 . A A . 47 GLN N 1 1 15 14419 1 1 47 GLN NE2 N -10.471 5.804 -2.175 1.00 . A A . 47 GLN NE2 1 1 15 14420 1 1 47 GLN O O -8.143 7.749 2.524 1.00 . A A . 47 GLN O 1 1 15 14421 1 1 47 GLN OE1 O -9.300 6.908 -3.757 1.00 . A A . 47 GLN OE1 1 1 15 14422 1 1 48 CYS C C -4.663 5.639 1.797 1.00 . A A . 48 CYS C 1 1 15 14423 1 1 48 CYS CA C -5.892 6.171 2.473 1.00 . A A . 48 CYS CA 1 1 15 14424 1 1 48 CYS CB C -6.185 5.203 3.648 1.00 . A A . 48 CYS CB 1 1 15 14425 1 1 48 CYS H H -6.922 5.418 0.850 1.00 . A A . 48 CYS H 1 1 15 14426 1 1 48 CYS HA H -5.684 7.171 2.798 1.00 . A A . 48 CYS HA 1 1 15 14427 1 1 48 CYS HB2 H -6.456 4.217 3.202 1.00 . A A . 48 CYS HB2 1 1 15 14428 1 1 48 CYS HB3 H -5.253 5.082 4.239 1.00 . A A . 48 CYS HB3 1 1 15 14429 1 1 48 CYS N N -6.916 6.191 1.479 1.00 . A A . 48 CYS N 1 1 15 14430 1 1 48 CYS O O -4.688 4.643 1.066 1.00 . A A . 48 CYS O 1 1 15 14431 1 1 48 CYS SG S -7.507 5.692 4.805 1.00 . A A . 48 CYS SG 1 1 15 14432 1 1 49 GLN C C -1.222 5.909 2.472 1.00 . A A . 49 GLN C 1 1 15 14433 1 1 49 GLN CA C -2.277 6.091 1.416 1.00 . A A . 49 GLN CA 1 1 15 14434 1 1 49 GLN CB C -1.844 7.229 0.468 1.00 . A A . 49 GLN CB 1 1 15 14435 1 1 49 GLN CD C -1.819 8.089 -1.904 1.00 . A A . 49 GLN CD 1 1 15 14436 1 1 49 GLN CG C -2.445 7.083 -0.944 1.00 . A A . 49 GLN CG 1 1 15 14437 1 1 49 GLN H H -3.591 7.162 2.606 1.00 . A A . 49 GLN H 1 1 15 14438 1 1 49 GLN HA H -2.321 5.163 0.873 1.00 . A A . 49 GLN HA 1 1 15 14439 1 1 49 GLN HB2 H -2.193 8.187 0.916 1.00 . A A . 49 GLN HB2 1 1 15 14440 1 1 49 GLN HB3 H -0.736 7.265 0.366 1.00 . A A . 49 GLN HB3 1 1 15 14441 1 1 49 GLN HE21 H -2.799 9.594 -0.966 1.00 . A A . 49 GLN HE21 1 1 15 14442 1 1 49 GLN HE22 H -1.624 10.096 -2.170 1.00 . A A . 49 GLN HE22 1 1 15 14443 1 1 49 GLN HG2 H -2.258 6.064 -1.345 1.00 . A A . 49 GLN HG2 1 1 15 14444 1 1 49 GLN HG3 H -3.540 7.261 -0.905 1.00 . A A . 49 GLN HG3 1 1 15 14445 1 1 49 GLN N N -3.553 6.361 2.008 1.00 . A A . 49 GLN N 1 1 15 14446 1 1 49 GLN NE2 N -2.101 9.382 -1.656 1.00 . A A . 49 GLN NE2 1 1 15 14447 1 1 49 GLN O O -1.200 6.534 3.533 1.00 . A A . 49 GLN O 1 1 15 14448 1 1 49 GLN OE1 O -1.095 7.730 -2.835 1.00 . A A . 49 GLN OE1 1 1 15 14449 1 1 50 CYS C C 2.024 5.433 2.734 1.00 . A A . 50 CYS C 1 1 15 14450 1 1 50 CYS CA C 0.801 4.580 2.994 1.00 . A A . 50 CYS CA 1 1 15 14451 1 1 50 CYS CB C 1.092 3.087 2.658 1.00 . A A . 50 CYS CB 1 1 15 14452 1 1 50 CYS H H -0.345 4.611 1.232 1.00 . A A . 50 CYS H 1 1 15 14453 1 1 50 CYS HA H 0.527 4.745 4.029 1.00 . A A . 50 CYS HA 1 1 15 14454 1 1 50 CYS HB2 H 0.118 2.566 2.524 1.00 . A A . 50 CYS HB2 1 1 15 14455 1 1 50 CYS HB3 H 1.614 3.019 1.678 1.00 . A A . 50 CYS HB3 1 1 15 14456 1 1 50 CYS N N -0.283 5.016 2.141 1.00 . A A . 50 CYS N 1 1 15 14457 1 1 50 CYS O O 3.026 4.972 2.196 1.00 . A A . 50 CYS O 1 1 15 14458 1 1 50 CYS SG S 2.015 2.148 3.903 1.00 . A A . 50 CYS SG 1 1 15 14459 1 1 51 TYR C C 4.305 7.413 3.232 1.00 . A A . 51 TYR C 1 1 15 14460 1 1 51 TYR CA C 2.897 7.790 2.851 1.00 . A A . 51 TYR CA 1 1 15 14461 1 1 51 TYR CB C 2.516 9.124 3.571 1.00 . A A . 51 TYR CB 1 1 15 14462 1 1 51 TYR CD1 C 0.787 9.836 1.893 1.00 . A A . 51 TYR CD1 1 1 15 14463 1 1 51 TYR CD2 C 2.619 11.349 2.334 1.00 . A A . 51 TYR CD2 1 1 15 14464 1 1 51 TYR CE1 C 0.295 10.718 0.924 1.00 . A A . 51 TYR CE1 1 1 15 14465 1 1 51 TYR CE2 C 2.091 12.255 1.413 1.00 . A A . 51 TYR CE2 1 1 15 14466 1 1 51 TYR CG C 1.972 10.125 2.589 1.00 . A A . 51 TYR CG 1 1 15 14467 1 1 51 TYR CZ C 0.932 11.942 0.704 1.00 . A A . 51 TYR CZ 1 1 15 14468 1 1 51 TYR H H 1.159 6.962 3.700 1.00 . A A . 51 TYR H 1 1 15 14469 1 1 51 TYR HA H 2.928 7.933 1.785 1.00 . A A . 51 TYR HA 1 1 15 14470 1 1 51 TYR HB2 H 1.740 8.954 4.340 1.00 . A A . 51 TYR HB2 1 1 15 14471 1 1 51 TYR HB3 H 3.382 9.578 4.095 1.00 . A A . 51 TYR HB3 1 1 15 14472 1 1 51 TYR HD1 H 0.233 8.938 2.110 1.00 . A A . 51 TYR HD1 1 1 15 14473 1 1 51 TYR HD2 H 3.529 11.644 2.827 1.00 . A A . 51 TYR HD2 1 1 15 14474 1 1 51 TYR HE1 H -0.592 10.454 0.377 1.00 . A A . 51 TYR HE1 1 1 15 14475 1 1 51 TYR HE2 H 2.604 13.192 1.273 1.00 . A A . 51 TYR HE2 1 1 15 14476 1 1 51 TYR HH H -0.456 12.530 -0.527 1.00 . A A . 51 TYR HH 1 1 15 14477 1 1 51 TYR N N 1.933 6.726 3.114 1.00 . A A . 51 TYR N 1 1 15 14478 1 1 51 TYR O O 5.237 7.422 2.430 1.00 . A A . 51 TYR O 1 1 15 14479 1 1 51 TYR OH O 0.396 12.879 -0.199 1.00 . A A . 51 TYR OH 1 1 15 14480 1 1 52 ASP C C 5.828 5.246 5.299 1.00 . A A . 52 ASP C 1 1 15 14481 1 1 52 ASP CA C 5.731 6.746 5.109 1.00 . A A . 52 ASP CA 1 1 15 14482 1 1 52 ASP CB C 5.921 7.551 6.424 1.00 . A A . 52 ASP CB 1 1 15 14483 1 1 52 ASP CG C 7.272 7.350 7.099 1.00 . A A . 52 ASP CG 1 1 15 14484 1 1 52 ASP H H 3.612 6.952 5.029 1.00 . A A . 52 ASP H 1 1 15 14485 1 1 52 ASP HA H 6.526 7.026 4.424 1.00 . A A . 52 ASP HA 1 1 15 14486 1 1 52 ASP HB2 H 5.828 8.634 6.191 1.00 . A A . 52 ASP HB2 1 1 15 14487 1 1 52 ASP HB3 H 5.139 7.292 7.158 1.00 . A A . 52 ASP HB3 1 1 15 14488 1 1 52 ASP HD2 H 9.147 7.273 6.704 1.00 . A A . 52 ASP HD2 1 1 15 14489 1 1 52 ASP N N 4.454 7.054 4.509 1.00 . A A . 52 ASP N 1 1 15 14490 1 1 52 ASP O O 5.330 4.680 6.274 1.00 . A A . 52 ASP O 1 1 15 14491 1 1 52 ASP OD1 O 7.453 7.201 8.293 1.00 . A A . 52 ASP OD1 1 1 15 14492 1 1 52 ASP OD2 O 8.313 7.349 6.216 1.00 . A A . 52 ASP OD2 1 1 15 14493 1 1 53 THR C C 8.105 3.079 3.466 1.00 . A A . 53 THR C 1 1 15 14494 1 1 53 THR CA C 6.925 3.221 4.402 1.00 . A A . 53 THR CA 1 1 15 14495 1 1 53 THR CB C 5.838 2.204 4.079 1.00 . A A . 53 THR CB 1 1 15 14496 1 1 53 THR CG2 C 5.480 2.204 2.587 1.00 . A A . 53 THR CG2 1 1 15 14497 1 1 53 THR H H 6.781 5.095 3.515 1.00 . A A . 53 THR H 1 1 15 14498 1 1 53 THR HA H 7.282 3.041 5.404 1.00 . A A . 53 THR HA 1 1 15 14499 1 1 53 THR HB H 4.928 2.489 4.663 1.00 . A A . 53 THR HB 1 1 15 14500 1 1 53 THR HG1 H 5.623 0.650 5.191 1.00 . A A . 53 THR HG1 1 1 15 14501 1 1 53 THR HG21 H 4.624 1.524 2.397 1.00 . A A . 53 THR HG21 1 1 15 14502 1 1 53 THR HG22 H 6.338 1.861 1.969 1.00 . A A . 53 THR HG22 1 1 15 14503 1 1 53 THR HG23 H 5.192 3.228 2.256 1.00 . A A . 53 THR HG23 1 1 15 14504 1 1 53 THR N N 6.487 4.597 4.329 1.00 . A A . 53 THR N 1 1 15 14505 1 1 53 THR O O 8.350 3.924 2.607 1.00 . A A . 53 THR O 1 1 15 14506 1 1 53 THR OG1 O 6.222 0.884 4.454 1.00 . A A . 53 THR OG1 1 1 15 14507 1 1 54 HIS C C 10.281 0.299 2.603 1.00 . A A . 54 HIS C 1 1 15 14508 1 1 54 HIS CA C 10.090 1.783 2.830 1.00 . A A . 54 HIS CA 1 1 15 14509 1 1 54 HIS CB C 11.291 2.365 3.621 1.00 . A A . 54 HIS CB 1 1 15 14510 1 1 54 HIS CD2 C 13.428 1.787 2.199 1.00 . A A . 54 HIS CD2 1 1 15 14511 1 1 54 HIS CE1 C 14.445 3.691 2.519 1.00 . A A . 54 HIS CE1 1 1 15 14512 1 1 54 HIS CG C 12.611 2.582 2.930 1.00 . A A . 54 HIS CG 1 1 15 14513 1 1 54 HIS H H 8.732 1.415 4.382 1.00 . A A . 54 HIS H 1 1 15 14514 1 1 54 HIS HA H 9.954 2.225 1.858 1.00 . A A . 54 HIS HA 1 1 15 14515 1 1 54 HIS HB2 H 10.985 3.389 3.935 1.00 . A A . 54 HIS HB2 1 1 15 14516 1 1 54 HIS HB3 H 11.442 1.784 4.556 1.00 . A A . 54 HIS HB3 1 1 15 14517 1 1 54 HIS HD1 H 12.955 4.520 3.686 1.00 . A A . 54 HIS HD1 1 1 15 14518 1 1 54 HIS HD2 H 13.283 0.773 1.857 1.00 . A A . 54 HIS HD2 1 1 15 14519 1 1 54 HIS HE1 H 15.163 4.479 2.527 1.00 . A A . 54 HIS HE1 1 1 15 14520 1 1 54 HIS HE2 H 15.355 2.188 1.415 1.00 . A A . 54 HIS HE2 1 1 15 14521 1 1 54 HIS N N 8.904 2.017 3.620 1.00 . A A . 54 HIS N 1 1 15 14522 1 1 54 HIS ND1 N 13.276 3.760 3.123 1.00 . A A . 54 HIS ND1 1 1 15 14523 1 1 54 HIS NE2 N 14.568 2.504 1.947 1.00 . A A . 54 HIS NE2 1 1 15 14524 1 1 54 HIS O O 11.237 -0.125 1.954 1.00 . A A . 54 HIS O 1 1 15 14525 1 1 55 LYS C C 8.500 -2.886 3.170 1.00 . A A . 55 LYS C 1 1 15 14526 1 1 55 LYS CA C 9.621 -1.899 3.484 1.00 . A A . 55 LYS CA 1 1 15 14527 1 1 55 LYS CB C 9.916 -1.949 5.003 1.00 . A A . 55 LYS CB 1 1 15 14528 1 1 55 LYS CD C 9.221 -0.179 6.722 1.00 . A A . 55 LYS CD 1 1 15 14529 1 1 55 LYS CE C 8.091 0.384 7.593 1.00 . A A . 55 LYS CE 1 1 15 14530 1 1 55 LYS CG C 8.798 -1.420 5.922 1.00 . A A . 55 LYS CG 1 1 15 14531 1 1 55 LYS H H 8.558 -0.140 3.586 1.00 . A A . 55 LYS H 1 1 15 14532 1 1 55 LYS HA H 10.478 -2.239 2.924 1.00 . A A . 55 LYS HA 1 1 15 14533 1 1 55 LYS HB2 H 10.137 -2.991 5.307 1.00 . A A . 55 LYS HB2 1 1 15 14534 1 1 55 LYS HB3 H 10.834 -1.355 5.191 1.00 . A A . 55 LYS HB3 1 1 15 14535 1 1 55 LYS HD2 H 10.077 -0.460 7.378 1.00 . A A . 55 LYS HD2 1 1 15 14536 1 1 55 LYS HD3 H 9.577 0.612 6.028 1.00 . A A . 55 LYS HD3 1 1 15 14537 1 1 55 LYS HE2 H 7.253 0.744 6.959 1.00 . A A . 55 LYS HE2 1 1 15 14538 1 1 55 LYS HE3 H 7.714 -0.399 8.286 1.00 . A A . 55 LYS HE3 1 1 15 14539 1 1 55 LYS HG2 H 7.879 -1.204 5.341 1.00 . A A . 55 LYS HG2 1 1 15 14540 1 1 55 LYS HG3 H 8.539 -2.231 6.643 1.00 . A A . 55 LYS HG3 1 1 15 14541 1 1 55 LYS HZ1 H 7.794 1.914 8.975 1.00 . A A . 55 LYS HZ1 1 1 15 14542 1 1 55 LYS HZ2 H 8.949 2.269 7.785 1.00 . A A . 55 LYS HZ2 1 1 15 14543 1 1 55 LYS HZ3 H 9.333 1.201 9.044 1.00 . A A . 55 LYS HZ3 1 1 15 14544 1 1 55 LYS N N 9.368 -0.518 3.160 1.00 . A A . 55 LYS N 1 1 15 14545 1 1 55 LYS NZ N 8.575 1.523 8.408 1.00 . A A . 55 LYS NZ 1 1 15 14546 1 1 55 LYS O O 8.380 -3.916 3.830 1.00 . A A . 55 LYS O 1 1 15 14547 1 1 56 PHE C C 6.378 -3.748 0.330 1.00 . A A . 56 PHE C 1 1 15 14548 1 1 56 PHE CA C 6.625 -3.632 1.816 1.00 . A A . 56 PHE CA 1 1 15 14549 1 1 56 PHE CB C 5.254 -3.376 2.510 1.00 . A A . 56 PHE CB 1 1 15 14550 1 1 56 PHE CD1 C 4.723 -5.585 3.592 1.00 . A A . 56 PHE CD1 1 1 15 14551 1 1 56 PHE CD2 C 5.425 -3.759 5.010 1.00 . A A . 56 PHE CD2 1 1 15 14552 1 1 56 PHE CE1 C 4.590 -6.411 4.714 1.00 . A A . 56 PHE CE1 1 1 15 14553 1 1 56 PHE CE2 C 5.281 -4.576 6.136 1.00 . A A . 56 PHE CE2 1 1 15 14554 1 1 56 PHE CG C 5.126 -4.245 3.730 1.00 . A A . 56 PHE CG 1 1 15 14555 1 1 56 PHE CZ C 4.860 -5.903 5.990 1.00 . A A . 56 PHE CZ 1 1 15 14556 1 1 56 PHE H H 7.756 -1.848 1.560 1.00 . A A . 56 PHE H 1 1 15 14557 1 1 56 PHE HA H 6.982 -4.618 2.088 1.00 . A A . 56 PHE HA 1 1 15 14558 1 1 56 PHE HB2 H 5.144 -2.309 2.794 1.00 . A A . 56 PHE HB2 1 1 15 14559 1 1 56 PHE HB3 H 4.405 -3.641 1.845 1.00 . A A . 56 PHE HB3 1 1 15 14560 1 1 56 PHE HD1 H 4.519 -5.990 2.615 1.00 . A A . 56 PHE HD1 1 1 15 14561 1 1 56 PHE HD2 H 5.773 -2.746 5.144 1.00 . A A . 56 PHE HD2 1 1 15 14562 1 1 56 PHE HE1 H 4.281 -7.438 4.588 1.00 . A A . 56 PHE HE1 1 1 15 14563 1 1 56 PHE HE2 H 5.510 -4.175 7.112 1.00 . A A . 56 PHE HE2 1 1 15 14564 1 1 56 PHE HZ H 4.757 -6.536 6.860 1.00 . A A . 56 PHE HZ 1 1 15 14565 1 1 56 PHE N N 7.650 -2.647 2.152 1.00 . A A . 56 PHE N 1 1 15 14566 1 1 56 PHE O O 6.160 -2.779 -0.387 1.00 . A A . 56 PHE O 1 1 15 14567 1 1 57 CYS C C 5.327 -6.643 -1.511 1.00 . A A . 57 CYS C 1 1 15 14568 1 1 57 CYS CA C 6.059 -5.320 -1.527 1.00 . A A . 57 CYS CA 1 1 15 14569 1 1 57 CYS CB C 7.387 -5.426 -2.304 1.00 . A A . 57 CYS CB 1 1 15 14570 1 1 57 CYS H H 6.677 -5.753 0.418 1.00 . A A . 57 CYS H 1 1 15 14571 1 1 57 CYS HA H 5.397 -4.577 -1.948 1.00 . A A . 57 CYS HA 1 1 15 14572 1 1 57 CYS HB2 H 7.989 -4.539 -2.007 1.00 . A A . 57 CYS HB2 1 1 15 14573 1 1 57 CYS HB3 H 7.951 -6.320 -1.962 1.00 . A A . 57 CYS HB3 1 1 15 14574 1 1 57 CYS N N 6.368 -4.993 -0.160 1.00 . A A . 57 CYS N 1 1 15 14575 1 1 57 CYS O O 5.923 -7.714 -1.504 1.00 . A A . 57 CYS O 1 1 15 14576 1 1 57 CYS SG S 7.229 -5.400 -4.108 1.00 . A A . 57 CYS SG 1 1 15 14577 1 1 58 TYR C C 2.287 -8.184 -2.282 1.00 . A A . 58 TYR C 1 1 15 14578 1 1 58 TYR CA C 3.183 -7.761 -1.134 1.00 . A A . 58 TYR CA 1 1 15 14579 1 1 58 TYR CB C 2.278 -7.490 0.093 1.00 . A A . 58 TYR CB 1 1 15 14580 1 1 58 TYR CD1 C 3.578 -8.734 1.820 1.00 . A A . 58 TYR CD1 1 1 15 14581 1 1 58 TYR CD2 C 1.382 -9.562 1.245 1.00 . A A . 58 TYR CD2 1 1 15 14582 1 1 58 TYR CE1 C 3.742 -9.787 2.722 1.00 . A A . 58 TYR CE1 1 1 15 14583 1 1 58 TYR CE2 C 1.541 -10.613 2.152 1.00 . A A . 58 TYR CE2 1 1 15 14584 1 1 58 TYR CG C 2.398 -8.610 1.075 1.00 . A A . 58 TYR CG 1 1 15 14585 1 1 58 TYR CZ C 2.725 -10.734 2.883 1.00 . A A . 58 TYR CZ 1 1 15 14586 1 1 58 TYR H H 3.528 -5.713 -1.410 1.00 . A A . 58 TYR H 1 1 15 14587 1 1 58 TYR HA H 3.823 -8.614 -0.936 1.00 . A A . 58 TYR HA 1 1 15 14588 1 1 58 TYR HB2 H 2.611 -6.569 0.607 1.00 . A A . 58 TYR HB2 1 1 15 14589 1 1 58 TYR HB3 H 1.215 -7.363 -0.194 1.00 . A A . 58 TYR HB3 1 1 15 14590 1 1 58 TYR HD1 H 4.381 -8.030 1.684 1.00 . A A . 58 TYR HD1 1 1 15 14591 1 1 58 TYR HD2 H 0.447 -9.498 0.711 1.00 . A A . 58 TYR HD2 1 1 15 14592 1 1 58 TYR HE1 H 4.663 -9.847 3.276 1.00 . A A . 58 TYR HE1 1 1 15 14593 1 1 58 TYR HE2 H 0.737 -11.316 2.277 1.00 . A A . 58 TYR HE2 1 1 15 14594 1 1 58 TYR HH H 3.828 -12.005 3.845 1.00 . A A . 58 TYR HH 1 1 15 14595 1 1 58 TYR N N 3.991 -6.588 -1.405 1.00 . A A . 58 TYR N 1 1 15 14596 1 1 58 TYR O O 2.008 -7.433 -3.216 1.00 . A A . 58 TYR O 1 1 15 14597 1 1 58 TYR OH O 2.876 -11.813 3.768 1.00 . A A . 58 TYR OH 1 1 15 14598 1 1 59 LYS C C -0.665 -9.134 -2.490 1.00 . A A . 59 LYS C 1 1 15 14599 1 1 59 LYS CA C 0.586 -9.971 -2.751 1.00 . A A . 59 LYS CA 1 1 15 14600 1 1 59 LYS CB C 0.335 -11.443 -2.327 1.00 . A A . 59 LYS CB 1 1 15 14601 1 1 59 LYS CD C 2.530 -12.747 -2.996 1.00 . A A . 59 LYS CD 1 1 15 14602 1 1 59 LYS CE C 3.477 -11.916 -3.880 1.00 . A A . 59 LYS CE 1 1 15 14603 1 1 59 LYS CG C 1.017 -12.522 -3.194 1.00 . A A . 59 LYS CG 1 1 15 14604 1 1 59 LYS H H 2.177 -9.978 -1.435 1.00 . A A . 59 LYS H 1 1 15 14605 1 1 59 LYS HA H 0.713 -9.953 -3.822 1.00 . A A . 59 LYS HA 1 1 15 14606 1 1 59 LYS HB2 H 0.602 -11.585 -1.263 1.00 . A A . 59 LYS HB2 1 1 15 14607 1 1 59 LYS HB3 H -0.756 -11.663 -2.402 1.00 . A A . 59 LYS HB3 1 1 15 14608 1 1 59 LYS HD2 H 2.792 -12.605 -1.926 1.00 . A A . 59 LYS HD2 1 1 15 14609 1 1 59 LYS HD3 H 2.737 -13.817 -3.232 1.00 . A A . 59 LYS HD3 1 1 15 14610 1 1 59 LYS HE2 H 3.337 -10.829 -3.734 1.00 . A A . 59 LYS HE2 1 1 15 14611 1 1 59 LYS HE3 H 4.530 -12.175 -3.639 1.00 . A A . 59 LYS HE3 1 1 15 14612 1 1 59 LYS HG2 H 0.522 -13.480 -2.905 1.00 . A A . 59 LYS HG2 1 1 15 14613 1 1 59 LYS HG3 H 0.784 -12.349 -4.267 1.00 . A A . 59 LYS HG3 1 1 15 14614 1 1 59 LYS HZ1 H 3.988 -11.685 -5.875 1.00 . A A . 59 LYS HZ1 1 1 15 14615 1 1 59 LYS HZ2 H 2.327 -11.902 -5.610 1.00 . A A . 59 LYS HZ2 1 1 15 14616 1 1 59 LYS HZ3 H 3.380 -13.223 -5.491 1.00 . A A . 59 LYS HZ3 1 1 15 14617 1 1 59 LYS N N 1.806 -9.435 -2.175 1.00 . A A . 59 LYS N 1 1 15 14618 1 1 59 LYS NZ N 3.280 -12.204 -5.319 1.00 . A A . 59 LYS NZ 1 1 15 14619 1 1 59 LYS O O -0.734 -8.314 -1.571 1.00 . A A . 59 LYS O 1 1 15 14620 1 1 60 ALA C C -3.825 -9.486 -2.005 1.00 . A A . 60 ALA C 1 1 15 14621 1 1 60 ALA CA C -3.016 -8.775 -3.076 1.00 . A A . 60 ALA CA 1 1 15 14622 1 1 60 ALA CB C -3.767 -8.760 -4.411 1.00 . A A . 60 ALA CB 1 1 15 14623 1 1 60 ALA H H -1.682 -10.034 -4.029 1.00 . A A . 60 ALA H 1 1 15 14624 1 1 60 ALA HA H -2.904 -7.757 -2.739 1.00 . A A . 60 ALA HA 1 1 15 14625 1 1 60 ALA HB1 H -3.891 -9.800 -4.786 1.00 . A A . 60 ALA HB1 1 1 15 14626 1 1 60 ALA HB2 H -3.172 -8.200 -5.162 1.00 . A A . 60 ALA HB2 1 1 15 14627 1 1 60 ALA HB3 H -4.768 -8.290 -4.323 1.00 . A A . 60 ALA HB3 1 1 15 14628 1 1 60 ALA N N -1.723 -9.371 -3.282 1.00 . A A . 60 ALA N 1 1 15 14629 1 1 60 ALA O O -3.519 -10.599 -1.586 1.00 . A A . 60 ALA O 1 1 15 14630 1 1 61 CYS C C -6.569 -10.532 -1.099 1.00 . A A . 61 CYS C 1 1 15 14631 1 1 61 CYS CA C -5.824 -9.342 -0.534 1.00 . A A . 61 CYS CA 1 1 15 14632 1 1 61 CYS CB C -6.861 -8.275 -0.066 1.00 . A A . 61 CYS CB 1 1 15 14633 1 1 61 CYS H H -5.062 -7.908 -1.892 1.00 . A A . 61 CYS H 1 1 15 14634 1 1 61 CYS HA H -5.268 -9.715 0.309 1.00 . A A . 61 CYS HA 1 1 15 14635 1 1 61 CYS HB2 H -7.161 -7.641 -0.925 1.00 . A A . 61 CYS HB2 1 1 15 14636 1 1 61 CYS HB3 H -7.786 -8.785 0.286 1.00 . A A . 61 CYS HB3 1 1 15 14637 1 1 61 CYS N N -4.894 -8.817 -1.531 1.00 . A A . 61 CYS N 1 1 15 14638 1 1 61 CYS O O -6.429 -11.676 -0.665 1.00 . A A . 61 CYS O 1 1 15 14639 1 1 61 CYS SG S -6.341 -7.229 1.336 1.00 . A A . 61 CYS SG 1 1 15 14640 1 1 62 HIS C C -6.884 -11.876 -3.946 1.00 . A A . 62 HIS C 1 1 15 14641 1 1 62 HIS CA C -7.922 -11.279 -3.005 1.00 . A A . 62 HIS CA 1 1 15 14642 1 1 62 HIS CB C -9.139 -10.728 -3.776 1.00 . A A . 62 HIS CB 1 1 15 14643 1 1 62 HIS CD2 C -8.212 -8.440 -4.683 1.00 . A A . 62 HIS CD2 1 1 15 14644 1 1 62 HIS CE1 C -9.531 -8.341 -6.414 1.00 . A A . 62 HIS CE1 1 1 15 14645 1 1 62 HIS CG C -8.906 -9.603 -4.751 1.00 . A A . 62 HIS CG 1 1 15 14646 1 1 62 HIS H H -7.555 -9.311 -2.341 1.00 . A A . 62 HIS H 1 1 15 14647 1 1 62 HIS HA H -8.297 -12.069 -2.371 1.00 . A A . 62 HIS HA 1 1 15 14648 1 1 62 HIS HB2 H -9.640 -11.553 -4.322 1.00 . A A . 62 HIS HB2 1 1 15 14649 1 1 62 HIS HB3 H -9.867 -10.349 -3.026 1.00 . A A . 62 HIS HB3 1 1 15 14650 1 1 62 HIS HD1 H -10.409 -10.189 -6.109 1.00 . A A . 62 HIS HD1 1 1 15 14651 1 1 62 HIS HD2 H -7.517 -8.057 -3.948 1.00 . A A . 62 HIS HD2 1 1 15 14652 1 1 62 HIS HE1 H -10.056 -8.005 -7.280 1.00 . A A . 62 HIS HE1 1 1 15 14653 1 1 62 HIS HE2 H -8.338 -6.722 -5.910 1.00 . A A . 62 HIS HE2 1 1 15 14654 1 1 62 HIS N N -7.358 -10.262 -2.145 1.00 . A A . 62 HIS N 1 1 15 14655 1 1 62 HIS ND1 N -9.717 -9.515 -5.844 1.00 . A A . 62 HIS ND1 1 1 15 14656 1 1 62 HIS NE2 N -8.626 -7.665 -5.730 1.00 . A A . 62 HIS NE2 1 1 15 14657 1 1 62 HIS O O -5.902 -11.223 -4.287 1.00 . A A . 62 HIS O 1 1 15 14658 1 1 63 ASN C C -6.793 -15.201 -5.577 1.00 . A A . 63 ASN C 1 1 15 14659 1 1 63 ASN CA C -6.171 -13.866 -5.224 1.00 . A A . 63 ASN CA 1 1 15 14660 1 1 63 ASN CB C -4.735 -14.028 -4.623 1.00 . A A . 63 ASN CB 1 1 15 14661 1 1 63 ASN CG C -4.662 -14.333 -3.123 1.00 . A A . 63 ASN CG 1 1 15 14662 1 1 63 ASN H H -7.859 -13.681 -4.097 1.00 . A A . 63 ASN H 1 1 15 14663 1 1 63 ASN HA H -6.108 -13.333 -6.150 1.00 . A A . 63 ASN HA 1 1 15 14664 1 1 63 ASN HB2 H -4.217 -14.844 -5.162 1.00 . A A . 63 ASN HB2 1 1 15 14665 1 1 63 ASN HB3 H -4.188 -13.095 -4.848 1.00 . A A . 63 ASN HB3 1 1 15 14666 1 1 63 ASN HD21 H -4.165 -12.405 -2.542 1.00 . A A . 63 ASN HD21 1 1 15 14667 1 1 63 ASN HD22 H -4.259 -13.551 -1.295 1.00 . A A . 63 ASN HD22 1 1 15 14668 1 1 63 ASN N N -7.082 -13.134 -4.389 1.00 . A A . 63 ASN N 1 1 15 14669 1 1 63 ASN ND2 N -4.297 -13.356 -2.266 1.00 . A A . 63 ASN ND2 1 1 15 14670 1 1 63 ASN O O -7.406 -15.369 -6.626 1.00 . A A . 63 ASN O 1 1 15 14671 1 1 63 ASN OD1 O -4.918 -15.470 -2.714 1.00 . A A . 63 ASN OD1 1 1 15 14672 1 1 64 SER C C -8.422 -17.963 -4.549 1.00 . A A . 64 SER C 1 1 15 14673 1 1 64 SER CA C -7.026 -17.586 -4.998 1.00 . A A . 64 SER CA 1 1 15 14674 1 1 64 SER CB C -5.983 -18.537 -4.361 1.00 . A A . 64 SER CB 1 1 15 14675 1 1 64 SER H H -6.207 -15.981 -3.843 1.00 . A A . 64 SER H 1 1 15 14676 1 1 64 SER HA H -6.999 -17.724 -6.072 1.00 . A A . 64 SER HA 1 1 15 14677 1 1 64 SER HB2 H -4.988 -18.041 -4.442 1.00 . A A . 64 SER HB2 1 1 15 14678 1 1 64 SER HB3 H -6.176 -18.689 -3.276 1.00 . A A . 64 SER HB3 1 1 15 14679 1 1 64 SER HG H -5.118 -20.236 -4.704 1.00 . A A . 64 SER HG 1 1 15 14680 1 1 64 SER N N -6.680 -16.199 -4.702 1.00 . A A . 64 SER N 1 1 15 14681 1 1 64 SER O O -8.635 -18.927 -3.815 1.00 . A A . 64 SER O 1 1 15 14682 1 1 64 SER OG O -5.916 -19.785 -5.050 1.00 . A A . 64 SER OG 1 1 15 14683 1 1 65 GLU C C -11.275 -18.727 -5.701 1.00 . A A . 65 GLU C 1 1 15 14684 1 1 65 GLU CA C -10.860 -17.478 -4.932 1.00 . A A . 65 GLU CA 1 1 15 14685 1 1 65 GLU CB C -11.766 -16.277 -5.301 1.00 . A A . 65 GLU CB 1 1 15 14686 1 1 65 GLU CD C -10.355 -14.363 -4.316 1.00 . A A . 65 GLU CD 1 1 15 14687 1 1 65 GLU CG C -11.698 -15.076 -4.318 1.00 . A A . 65 GLU CG 1 1 15 14688 1 1 65 GLU H H -9.178 -16.366 -5.473 1.00 . A A . 65 GLU H 1 1 15 14689 1 1 65 GLU HA H -11.087 -17.715 -3.905 1.00 . A A . 65 GLU HA 1 1 15 14690 1 1 65 GLU HB2 H -11.565 -15.952 -6.343 1.00 . A A . 65 GLU HB2 1 1 15 14691 1 1 65 GLU HB3 H -12.821 -16.638 -5.268 1.00 . A A . 65 GLU HB3 1 1 15 14692 1 1 65 GLU HE2 H -10.773 -13.876 -6.173 1.00 . A A . 65 GLU HE2 1 1 15 14693 1 1 65 GLU HG2 H -12.481 -14.333 -4.579 1.00 . A A . 65 GLU HG2 1 1 15 14694 1 1 65 GLU HG3 H -11.894 -15.432 -3.283 1.00 . A A . 65 GLU HG3 1 1 15 14695 1 1 65 GLU N N -9.433 -17.170 -4.948 1.00 . A A . 65 GLU N 1 1 15 14696 1 1 65 GLU O O -12.022 -18.667 -6.679 1.00 . A A . 65 GLU O 1 1 15 14697 1 1 65 GLU OE1 O -9.564 -14.318 -3.390 1.00 . A A . 65 GLU OE1 1 1 15 14698 1 1 65 GLU OE2 O -10.051 -13.801 -5.530 1.00 . A A . 65 GLU OE2 1 1 15 14699 1 1 66 ILE C C -10.783 -22.155 -4.666 1.00 . A A . 66 ILE C 1 1 15 14700 1 1 66 ILE CA C -11.013 -21.199 -5.807 1.00 . A A . 66 ILE CA 1 1 15 14701 1 1 66 ILE CB C -10.062 -21.592 -6.944 1.00 . A A . 66 ILE CB 1 1 15 14702 1 1 66 ILE CD1 C -7.636 -22.035 -7.631 1.00 . A A . 66 ILE CD1 1 1 15 14703 1 1 66 ILE CG1 C -8.567 -21.390 -6.602 1.00 . A A . 66 ILE CG1 1 1 15 14704 1 1 66 ILE CG2 C -10.446 -20.839 -8.230 1.00 . A A . 66 ILE CG2 1 1 15 14705 1 1 66 ILE H H -10.168 -19.826 -4.480 1.00 . A A . 66 ILE H 1 1 15 14706 1 1 66 ILE HA H -12.039 -21.296 -6.113 1.00 . A A . 66 ILE HA 1 1 15 14707 1 1 66 ILE HB H -10.211 -22.676 -7.155 1.00 . A A . 66 ILE HB 1 1 15 14708 1 1 66 ILE HD11 H -7.745 -21.552 -8.624 1.00 . A A . 66 ILE HD11 1 1 15 14709 1 1 66 ILE HD12 H -7.876 -23.115 -7.734 1.00 . A A . 66 ILE HD12 1 1 15 14710 1 1 66 ILE HD13 H -6.575 -21.942 -7.312 1.00 . A A . 66 ILE HD13 1 1 15 14711 1 1 66 ILE HG12 H -8.341 -20.302 -6.547 1.00 . A A . 66 ILE HG12 1 1 15 14712 1 1 66 ILE HG13 H -8.338 -21.836 -5.608 1.00 . A A . 66 ILE HG13 1 1 15 14713 1 1 66 ILE HG21 H -10.166 -19.767 -8.145 1.00 . A A . 66 ILE HG21 1 1 15 14714 1 1 66 ILE HG22 H -11.538 -20.913 -8.415 1.00 . A A . 66 ILE HG22 1 1 15 14715 1 1 66 ILE HG23 H -9.914 -21.267 -9.104 1.00 . A A . 66 ILE HG23 1 1 15 14716 1 1 66 ILE N N -10.810 -19.884 -5.244 1.00 . A A . 66 ILE N 1 1 15 14717 1 1 66 ILE O O -10.261 -21.784 -3.617 1.00 . A A . 66 ILE O 1 1 15 14718 1 1 67 GLU C C -11.089 -25.791 -4.756 1.00 . A A . 67 GLU C 1 1 15 14719 1 1 67 GLU CA C -11.038 -24.496 -3.918 1.00 . A A . 67 GLU CA 1 1 15 14720 1 1 67 GLU CB C -12.153 -24.531 -2.836 1.00 . A A . 67 GLU CB 1 1 15 14721 1 1 67 GLU CD C -14.191 -23.565 -4.092 1.00 . A A . 67 GLU CD 1 1 15 14722 1 1 67 GLU CG C -13.599 -24.763 -3.354 1.00 . A A . 67 GLU CG 1 1 15 14723 1 1 67 GLU H H -11.562 -23.799 -5.716 1.00 . A A . 67 GLU H 1 1 15 14724 1 1 67 GLU HA H -10.058 -24.434 -3.464 1.00 . A A . 67 GLU HA 1 1 15 14725 1 1 67 GLU HB2 H -11.906 -25.365 -2.140 1.00 . A A . 67 GLU HB2 1 1 15 14726 1 1 67 GLU HB3 H -12.111 -23.587 -2.248 1.00 . A A . 67 GLU HB3 1 1 15 14727 1 1 67 GLU HE2 H -14.833 -21.799 -3.799 1.00 . A A . 67 GLU HE2 1 1 15 14728 1 1 67 GLU HG2 H -13.621 -25.636 -4.041 1.00 . A A . 67 GLU HG2 1 1 15 14729 1 1 67 GLU HG3 H -14.259 -24.986 -2.490 1.00 . A A . 67 GLU HG3 1 1 15 14730 1 1 67 GLU N N -11.191 -23.424 -4.859 1.00 . A A . 67 GLU N 1 1 15 14731 1 1 67 GLU O O -11.413 -25.693 -5.975 1.00 . A A . 67 GLU O 1 1 15 14732 1 1 67 GLU OXT O -10.818 -26.881 -4.189 1.00 . A A . 67 GLU OXT 1 1 15 14733 1 1 67 GLU OE1 O -14.499 -23.506 -5.269 1.00 . A A . 67 GLU OE1 1 1 15 14734 1 1 67 GLU OE2 O -14.420 -22.479 -3.271 1.00 . A A . 67 GLU OE2 1 1 15 14735 2 2 1 CL CL CL -1.566 9.748 11.772 1.00 . B A . 68 CL CL 1 1 15 14736 3 2 1 CL CL CL -2.706 -0.955 -10.277 1.00 . C A . 69 CL CL 1 1 15 14737 4 2 1 CL CL CL -10.925 -4.904 -4.876 1.00 . D A . 70 CL CL 1 1 15 14738 5 2 1 CL CL CL -11.059 -7.809 0.254 1.00 . E A . 71 CL CL 1 1 15 14739 6 2 1 CL CL CL 0.574 -12.132 -7.568 1.00 . F A . 72 CL CL 1 1 15 14740 7 2 1 CL CL CL 8.195 11.131 6.225 1.00 . G A . 73 CL CL 1 1 15 14741 8 2 1 CL CL CL -5.226 -5.106 6.619 1.00 . H A . 74 CL CL 1 1 15 14742 9 2 1 CL CL CL 10.153 4.241 6.560 1.00 . I A . 75 CL CL 1 1 15 14743 10 2 1 CL CL CL 10.930 7.221 -8.850 1.00 . J A . 76 CL CL 1 1 15 14744 11 2 1 CL CL CL 8.417 -10.502 -2.659 1.00 . K A . 77 CL CL 1 1 15 14745 12 2 1 CL CL CL -4.887 10.260 0.144 1.00 . L A . 78 CL CL 1 1 16 14746 1 1 1 GLY C C -3.981 -15.563 2.302 1.00 . A A . 1 GLY C 1 1 16 14747 1 1 1 GLY CA C -4.042 -14.149 1.836 1.00 . A A . 1 GLY CA 1 1 16 14748 1 1 1 GLY H1 H -2.753 -12.705 1.084 1.00 . A A . 1 GLY H1 1 1 16 14749 1 1 1 GLY H2 H -2.491 -14.266 0.462 1.00 . A A . 1 GLY H2 1 1 16 14750 1 1 1 GLY H3 H -1.992 -13.885 2.041 1.00 . A A . 1 GLY H3 1 1 16 14751 1 1 1 GLY HA2 H -4.276 -13.505 2.671 1.00 . A A . 1 GLY HA2 1 1 16 14752 1 1 1 GLY HA3 H -4.740 -14.077 1.017 1.00 . A A . 1 GLY HA3 1 1 16 14753 1 1 1 GLY N N -2.721 -13.719 1.317 1.00 . A A . 1 GLY N 1 1 16 14754 1 1 1 GLY O O -3.973 -16.502 1.511 1.00 . A A . 1 GLY O 1 1 16 14755 1 1 2 ASP C C -4.170 -17.115 5.641 1.00 . A A . 2 ASP C 1 1 16 14756 1 1 2 ASP CA C -3.624 -17.063 4.217 1.00 . A A . 2 ASP CA 1 1 16 14757 1 1 2 ASP CB C -2.085 -17.285 4.289 1.00 . A A . 2 ASP CB 1 1 16 14758 1 1 2 ASP CG C -1.464 -17.550 2.928 1.00 . A A . 2 ASP CG 1 1 16 14759 1 1 2 ASP H H -4.020 -14.991 4.241 1.00 . A A . 2 ASP H 1 1 16 14760 1 1 2 ASP HA H -4.130 -17.850 3.673 1.00 . A A . 2 ASP HA 1 1 16 14761 1 1 2 ASP HB2 H -1.590 -16.413 4.761 1.00 . A A . 2 ASP HB2 1 1 16 14762 1 1 2 ASP HB3 H -1.862 -18.184 4.901 1.00 . A A . 2 ASP HB3 1 1 16 14763 1 1 2 ASP HD2 H -0.411 -16.748 1.560 1.00 . A A . 2 ASP HD2 1 1 16 14764 1 1 2 ASP N N -3.942 -15.772 3.628 1.00 . A A . 2 ASP N 1 1 16 14765 1 1 2 ASP O O -3.576 -17.686 6.551 1.00 . A A . 2 ASP O 1 1 16 14766 1 1 2 ASP OD1 O -1.431 -18.630 2.366 1.00 . A A . 2 ASP OD1 1 1 16 14767 1 1 2 ASP OD2 O -0.852 -16.456 2.372 1.00 . A A . 2 ASP OD2 1 1 16 14768 1 1 3 ASP C C -5.419 -15.677 8.191 1.00 . A A . 3 ASP C 1 1 16 14769 1 1 3 ASP CA C -6.099 -16.482 7.096 1.00 . A A . 3 ASP CA 1 1 16 14770 1 1 3 ASP CB C -6.527 -17.865 7.610 1.00 . A A . 3 ASP CB 1 1 16 14771 1 1 3 ASP CG C -7.185 -18.621 6.488 1.00 . A A . 3 ASP CG 1 1 16 14772 1 1 3 ASP H H -5.813 -16.076 5.075 1.00 . A A . 3 ASP H 1 1 16 14773 1 1 3 ASP HA H -6.995 -15.929 6.868 1.00 . A A . 3 ASP HA 1 1 16 14774 1 1 3 ASP HB2 H -5.634 -18.410 7.971 1.00 . A A . 3 ASP HB2 1 1 16 14775 1 1 3 ASP HB3 H -7.256 -17.753 8.434 1.00 . A A . 3 ASP HB3 1 1 16 14776 1 1 3 ASP HD2 H -6.892 -20.144 5.371 1.00 . A A . 3 ASP HD2 1 1 16 14777 1 1 3 ASP N N -5.362 -16.529 5.844 1.00 . A A . 3 ASP N 1 1 16 14778 1 1 3 ASP O O -5.305 -16.076 9.354 1.00 . A A . 3 ASP O 1 1 16 14779 1 1 3 ASP OD1 O -8.176 -18.266 5.877 1.00 . A A . 3 ASP OD1 1 1 16 14780 1 1 3 ASP OD2 O -6.523 -19.766 6.182 1.00 . A A . 3 ASP OD2 1 1 16 14781 1 1 4 VAL C C -4.533 -12.162 8.103 1.00 . A A . 4 VAL C 1 1 16 14782 1 1 4 VAL CA C -4.303 -13.543 8.659 1.00 . A A . 4 VAL CA 1 1 16 14783 1 1 4 VAL CB C -2.829 -13.889 8.821 1.00 . A A . 4 VAL CB 1 1 16 14784 1 1 4 VAL CG1 C -2.051 -13.837 7.490 1.00 . A A . 4 VAL CG1 1 1 16 14785 1 1 4 VAL CG2 C -2.162 -13.016 9.895 1.00 . A A . 4 VAL CG2 1 1 16 14786 1 1 4 VAL H H -5.089 -14.199 6.860 1.00 . A A . 4 VAL H 1 1 16 14787 1 1 4 VAL HA H -4.776 -13.572 9.625 1.00 . A A . 4 VAL HA 1 1 16 14788 1 1 4 VAL HB H -2.818 -14.945 9.178 1.00 . A A . 4 VAL HB 1 1 16 14789 1 1 4 VAL HG11 H -2.036 -12.811 7.070 1.00 . A A . 4 VAL HG11 1 1 16 14790 1 1 4 VAL HG12 H -2.493 -14.523 6.740 1.00 . A A . 4 VAL HG12 1 1 16 14791 1 1 4 VAL HG13 H -0.997 -14.151 7.657 1.00 . A A . 4 VAL HG13 1 1 16 14792 1 1 4 VAL HG21 H -2.752 -13.015 10.833 1.00 . A A . 4 VAL HG21 1 1 16 14793 1 1 4 VAL HG22 H -2.034 -11.970 9.545 1.00 . A A . 4 VAL HG22 1 1 16 14794 1 1 4 VAL HG23 H -1.151 -13.420 10.125 1.00 . A A . 4 VAL HG23 1 1 16 14795 1 1 4 VAL N N -4.969 -14.484 7.803 1.00 . A A . 4 VAL N 1 1 16 14796 1 1 4 VAL O O -4.598 -11.957 6.893 1.00 . A A . 4 VAL O 1 1 16 14797 1 1 5 LYS C C -3.488 -9.114 8.392 1.00 . A A . 5 LYS C 1 1 16 14798 1 1 5 LYS CA C -4.834 -9.757 8.626 1.00 . A A . 5 LYS CA 1 1 16 14799 1 1 5 LYS CB C -5.577 -8.996 9.742 1.00 . A A . 5 LYS CB 1 1 16 14800 1 1 5 LYS CD C -7.718 -8.749 11.096 1.00 . A A . 5 LYS CD 1 1 16 14801 1 1 5 LYS CE C -9.180 -9.165 11.287 1.00 . A A . 5 LYS CE 1 1 16 14802 1 1 5 LYS CG C -7.017 -9.478 9.939 1.00 . A A . 5 LYS CG 1 1 16 14803 1 1 5 LYS H H -4.673 -11.347 9.945 1.00 . A A . 5 LYS H 1 1 16 14804 1 1 5 LYS HA H -5.377 -9.683 7.699 1.00 . A A . 5 LYS HA 1 1 16 14805 1 1 5 LYS HB2 H -5.017 -9.110 10.694 1.00 . A A . 5 LYS HB2 1 1 16 14806 1 1 5 LYS HB3 H -5.605 -7.913 9.493 1.00 . A A . 5 LYS HB3 1 1 16 14807 1 1 5 LYS HD2 H -7.158 -8.932 12.042 1.00 . A A . 5 LYS HD2 1 1 16 14808 1 1 5 LYS HD3 H -7.693 -7.653 10.899 1.00 . A A . 5 LYS HD3 1 1 16 14809 1 1 5 LYS HE2 H -9.622 -8.639 12.160 1.00 . A A . 5 LYS HE2 1 1 16 14810 1 1 5 LYS HE3 H -9.776 -8.935 10.378 1.00 . A A . 5 LYS HE3 1 1 16 14811 1 1 5 LYS HG2 H -7.582 -9.307 8.996 1.00 . A A . 5 LYS HG2 1 1 16 14812 1 1 5 LYS HG3 H -7.020 -10.572 10.129 1.00 . A A . 5 LYS HG3 1 1 16 14813 1 1 5 LYS HZ1 H -8.957 -11.132 10.692 1.00 . A A . 5 LYS HZ1 1 1 16 14814 1 1 5 LYS HZ2 H -10.272 -10.867 11.731 1.00 . A A . 5 LYS HZ2 1 1 16 14815 1 1 5 LYS HZ3 H -8.690 -10.875 12.350 1.00 . A A . 5 LYS HZ3 1 1 16 14816 1 1 5 LYS N N -4.681 -11.154 8.978 1.00 . A A . 5 LYS N 1 1 16 14817 1 1 5 LYS NZ N -9.281 -10.616 11.535 1.00 . A A . 5 LYS NZ 1 1 16 14818 1 1 5 LYS O O -3.114 -8.107 8.989 1.00 . A A . 5 LYS O 1 1 16 14819 1 1 6 SER C C -1.694 -7.912 6.157 1.00 . A A . 6 SER C 1 1 16 14820 1 1 6 SER CA C -1.501 -9.217 6.910 1.00 . A A . 6 SER CA 1 1 16 14821 1 1 6 SER CB C -0.796 -10.268 6.013 1.00 . A A . 6 SER CB 1 1 16 14822 1 1 6 SER H H -3.109 -10.558 7.097 1.00 . A A . 6 SER H 1 1 16 14823 1 1 6 SER HA H -0.828 -8.982 7.719 1.00 . A A . 6 SER HA 1 1 16 14824 1 1 6 SER HB2 H 0.088 -9.839 5.493 1.00 . A A . 6 SER HB2 1 1 16 14825 1 1 6 SER HB3 H -0.434 -11.084 6.677 1.00 . A A . 6 SER HB3 1 1 16 14826 1 1 6 SER HG H -1.104 -11.461 4.542 1.00 . A A . 6 SER HG 1 1 16 14827 1 1 6 SER N N -2.714 -9.738 7.509 1.00 . A A . 6 SER N 1 1 16 14828 1 1 6 SER O O -2.801 -7.503 5.803 1.00 . A A . 6 SER O 1 1 16 14829 1 1 6 SER OG O -1.668 -10.864 5.056 1.00 . A A . 6 SER OG 1 1 16 14830 1 1 7 ALA C C -0.793 -6.504 3.542 1.00 . A A . 7 ALA C 1 1 16 14831 1 1 7 ALA CA C -0.598 -6.068 4.993 1.00 . A A . 7 ALA CA 1 1 16 14832 1 1 7 ALA CB C 0.713 -5.269 5.126 1.00 . A A . 7 ALA CB 1 1 16 14833 1 1 7 ALA H H 0.301 -7.469 6.261 1.00 . A A . 7 ALA H 1 1 16 14834 1 1 7 ALA HA H -1.427 -5.423 5.251 1.00 . A A . 7 ALA HA 1 1 16 14835 1 1 7 ALA HB1 H 0.850 -4.899 6.163 1.00 . A A . 7 ALA HB1 1 1 16 14836 1 1 7 ALA HB2 H 0.719 -4.394 4.439 1.00 . A A . 7 ALA HB2 1 1 16 14837 1 1 7 ALA HB3 H 1.580 -5.914 4.871 1.00 . A A . 7 ALA HB3 1 1 16 14838 1 1 7 ALA N N -0.589 -7.192 5.898 1.00 . A A . 7 ALA N 1 1 16 14839 1 1 7 ALA O O -0.254 -7.505 3.079 1.00 . A A . 7 ALA O 1 1 16 14840 1 1 8 CYS C C -1.552 -4.721 0.609 1.00 . A A . 8 CYS C 1 1 16 14841 1 1 8 CYS CA C -1.867 -5.967 1.398 1.00 . A A . 8 CYS CA 1 1 16 14842 1 1 8 CYS CB C -3.338 -6.344 1.136 1.00 . A A . 8 CYS CB 1 1 16 14843 1 1 8 CYS H H -2.103 -5.002 3.246 1.00 . A A . 8 CYS H 1 1 16 14844 1 1 8 CYS HA H -1.239 -6.750 1.001 1.00 . A A . 8 CYS HA 1 1 16 14845 1 1 8 CYS HB2 H -3.989 -5.714 1.778 1.00 . A A . 8 CYS HB2 1 1 16 14846 1 1 8 CYS HB3 H -3.600 -6.143 0.079 1.00 . A A . 8 CYS HB3 1 1 16 14847 1 1 8 CYS N N -1.611 -5.748 2.804 1.00 . A A . 8 CYS N 1 1 16 14848 1 1 8 CYS O O -1.496 -3.611 1.135 1.00 . A A . 8 CYS O 1 1 16 14849 1 1 8 CYS SG S -3.681 -8.102 1.411 1.00 . A A . 8 CYS SG 1 1 16 14850 1 1 9 CYS C C -1.616 -4.165 -2.973 1.00 . A A . 9 CYS C 1 1 16 14851 1 1 9 CYS CA C -1.064 -3.801 -1.607 1.00 . A A . 9 CYS CA 1 1 16 14852 1 1 9 CYS CB C 0.469 -3.614 -1.707 1.00 . A A . 9 CYS CB 1 1 16 14853 1 1 9 CYS H H -1.332 -5.814 -1.112 1.00 . A A . 9 CYS H 1 1 16 14854 1 1 9 CYS HA H -1.543 -2.896 -1.256 1.00 . A A . 9 CYS HA 1 1 16 14855 1 1 9 CYS HB2 H 0.863 -3.471 -0.674 1.00 . A A . 9 CYS HB2 1 1 16 14856 1 1 9 CYS HB3 H 0.904 -4.568 -2.077 1.00 . A A . 9 CYS HB3 1 1 16 14857 1 1 9 CYS N N -1.345 -4.893 -0.707 1.00 . A A . 9 CYS N 1 1 16 14858 1 1 9 CYS O O -1.445 -5.284 -3.441 1.00 . A A . 9 CYS O 1 1 16 14859 1 1 9 CYS SG S 1.016 -2.234 -2.759 1.00 . A A . 9 CYS SG 1 1 16 14860 1 1 10 ASP C C -1.765 -3.362 -6.094 1.00 . A A . 10 ASP C 1 1 16 14861 1 1 10 ASP CA C -2.815 -3.561 -5.003 1.00 . A A . 10 ASP CA 1 1 16 14862 1 1 10 ASP CB C -4.059 -2.727 -5.340 1.00 . A A . 10 ASP CB 1 1 16 14863 1 1 10 ASP CG C -5.150 -2.981 -4.324 1.00 . A A . 10 ASP CG 1 1 16 14864 1 1 10 ASP H H -2.571 -2.373 -3.271 1.00 . A A . 10 ASP H 1 1 16 14865 1 1 10 ASP HA H -3.095 -4.609 -5.043 1.00 . A A . 10 ASP HA 1 1 16 14866 1 1 10 ASP HB2 H -3.821 -1.661 -5.346 1.00 . A A . 10 ASP HB2 1 1 16 14867 1 1 10 ASP HB3 H -4.439 -2.955 -6.348 1.00 . A A . 10 ASP HB3 1 1 16 14868 1 1 10 ASP HD2 H -6.617 -4.155 -4.044 1.00 . A A . 10 ASP HD2 1 1 16 14869 1 1 10 ASP N N -2.317 -3.249 -3.670 1.00 . A A . 10 ASP N 1 1 16 14870 1 1 10 ASP O O -1.624 -4.189 -6.990 1.00 . A A . 10 ASP O 1 1 16 14871 1 1 10 ASP OD1 O -5.466 -2.218 -3.436 1.00 . A A . 10 ASP OD1 1 1 16 14872 1 1 10 ASP OD2 O -5.747 -4.200 -4.476 1.00 . A A . 10 ASP OD2 1 1 16 14873 1 1 11 THR C C 0.932 -0.931 -6.535 1.00 . A A . 11 THR C 1 1 16 14874 1 1 11 THR CA C -0.151 -1.802 -7.123 1.00 . A A . 11 THR CA 1 1 16 14875 1 1 11 THR CB C -0.873 -0.868 -8.107 1.00 . A A . 11 THR CB 1 1 16 14876 1 1 11 THR CG2 C -0.078 -0.700 -9.407 1.00 . A A . 11 THR CG2 1 1 16 14877 1 1 11 THR H H -1.073 -1.636 -5.266 1.00 . A A . 11 THR H 1 1 16 14878 1 1 11 THR HA H 0.309 -2.641 -7.626 1.00 . A A . 11 THR HA 1 1 16 14879 1 1 11 THR HB H -1.029 0.128 -7.634 1.00 . A A . 11 THR HB 1 1 16 14880 1 1 11 THR HG1 H -2.522 -0.655 -9.051 1.00 . A A . 11 THR HG1 1 1 16 14881 1 1 11 THR HG21 H 0.107 -1.687 -9.877 1.00 . A A . 11 THR HG21 1 1 16 14882 1 1 11 THR HG22 H 0.891 -0.191 -9.226 1.00 . A A . 11 THR HG22 1 1 16 14883 1 1 11 THR HG23 H -0.643 -0.074 -10.131 1.00 . A A . 11 THR HG23 1 1 16 14884 1 1 11 THR N N -0.979 -2.270 -6.019 1.00 . A A . 11 THR N 1 1 16 14885 1 1 11 THR O O 0.684 -0.083 -5.673 1.00 . A A . 11 THR O 1 1 16 14886 1 1 11 THR OG1 O -2.154 -1.349 -8.481 1.00 . A A . 11 THR OG1 1 1 16 14887 1 1 12 CYS C C 4.514 -0.414 -7.260 1.00 . A A . 12 CYS C 1 1 16 14888 1 1 12 CYS CA C 3.348 -0.599 -6.337 1.00 . A A . 12 CYS CA 1 1 16 14889 1 1 12 CYS CB C 3.757 -1.580 -5.211 1.00 . A A . 12 CYS CB 1 1 16 14890 1 1 12 CYS H H 2.369 -1.793 -7.690 1.00 . A A . 12 CYS H 1 1 16 14891 1 1 12 CYS HA H 3.170 0.371 -5.924 1.00 . A A . 12 CYS HA 1 1 16 14892 1 1 12 CYS HB2 H 4.552 -1.131 -4.577 1.00 . A A . 12 CYS HB2 1 1 16 14893 1 1 12 CYS HB3 H 2.839 -1.708 -4.602 1.00 . A A . 12 CYS HB3 1 1 16 14894 1 1 12 CYS N N 2.176 -1.089 -7.006 1.00 . A A . 12 CYS N 1 1 16 14895 1 1 12 CYS O O 4.526 -0.859 -8.404 1.00 . A A . 12 CYS O 1 1 16 14896 1 1 12 CYS SG S 4.267 -3.245 -5.749 1.00 . A A . 12 CYS SG 1 1 16 14897 1 1 13 LEU C C 7.724 1.005 -6.574 1.00 . A A . 13 LEU C 1 1 16 14898 1 1 13 LEU CA C 6.561 0.884 -7.521 1.00 . A A . 13 LEU CA 1 1 16 14899 1 1 13 LEU CB C 6.080 2.270 -8.009 1.00 . A A . 13 LEU CB 1 1 16 14900 1 1 13 LEU CD1 C 8.072 3.908 -7.988 1.00 . A A . 13 LEU CD1 1 1 16 14901 1 1 13 LEU CD2 C 7.681 2.435 -10.015 1.00 . A A . 13 LEU CD2 1 1 16 14902 1 1 13 LEU CG C 7.029 3.168 -8.837 1.00 . A A . 13 LEU CG 1 1 16 14903 1 1 13 LEU H H 5.417 0.687 -5.820 1.00 . A A . 13 LEU H 1 1 16 14904 1 1 13 LEU HA H 6.837 0.247 -8.348 1.00 . A A . 13 LEU HA 1 1 16 14905 1 1 13 LEU HB2 H 5.199 2.060 -8.647 1.00 . A A . 13 LEU HB2 1 1 16 14906 1 1 13 LEU HB3 H 5.719 2.843 -7.129 1.00 . A A . 13 LEU HB3 1 1 16 14907 1 1 13 LEU HD11 H 7.575 4.377 -7.112 1.00 . A A . 13 LEU HD11 1 1 16 14908 1 1 13 LEU HD12 H 8.560 4.702 -8.592 1.00 . A A . 13 LEU HD12 1 1 16 14909 1 1 13 LEU HD13 H 8.857 3.214 -7.626 1.00 . A A . 13 LEU HD13 1 1 16 14910 1 1 13 LEU HD21 H 6.910 1.933 -10.637 1.00 . A A . 13 LEU HD21 1 1 16 14911 1 1 13 LEU HD22 H 8.403 1.676 -9.652 1.00 . A A . 13 LEU HD22 1 1 16 14912 1 1 13 LEU HD23 H 8.234 3.157 -10.654 1.00 . A A . 13 LEU HD23 1 1 16 14913 1 1 13 LEU HG H 6.376 3.967 -9.271 1.00 . A A . 13 LEU HG 1 1 16 14914 1 1 13 LEU N N 5.517 0.291 -6.738 1.00 . A A . 13 LEU N 1 1 16 14915 1 1 13 LEU O O 7.671 1.632 -5.512 1.00 . A A . 13 LEU O 1 1 16 14916 1 1 14 CYS C C 10.983 1.298 -6.994 1.00 . A A . 14 CYS C 1 1 16 14917 1 1 14 CYS CA C 10.072 0.337 -6.279 1.00 . A A . 14 CYS CA 1 1 16 14918 1 1 14 CYS CB C 10.732 -1.046 -6.100 1.00 . A A . 14 CYS CB 1 1 16 14919 1 1 14 CYS H H 8.777 -0.260 -7.763 1.00 . A A . 14 CYS H 1 1 16 14920 1 1 14 CYS HA H 9.952 0.760 -5.307 1.00 . A A . 14 CYS HA 1 1 16 14921 1 1 14 CYS HB2 H 10.903 -1.487 -7.102 1.00 . A A . 14 CYS HB2 1 1 16 14922 1 1 14 CYS HB3 H 11.733 -0.905 -5.646 1.00 . A A . 14 CYS HB3 1 1 16 14923 1 1 14 CYS N N 8.790 0.273 -6.917 1.00 . A A . 14 CYS N 1 1 16 14924 1 1 14 CYS O O 11.001 1.391 -8.221 1.00 . A A . 14 CYS O 1 1 16 14925 1 1 14 CYS SG S 9.777 -2.235 -5.077 1.00 . A A . 14 CYS SG 1 1 16 14926 1 1 15 THR C C 14.024 2.281 -7.183 1.00 . A A . 15 THR C 1 1 16 14927 1 1 15 THR CA C 12.736 2.977 -6.820 1.00 . A A . 15 THR CA 1 1 16 14928 1 1 15 THR CB C 13.091 4.144 -5.916 1.00 . A A . 15 THR CB 1 1 16 14929 1 1 15 THR CG2 C 11.815 4.957 -5.685 1.00 . A A . 15 THR CG2 1 1 16 14930 1 1 15 THR H H 11.781 1.993 -5.233 1.00 . A A . 15 THR H 1 1 16 14931 1 1 15 THR HA H 12.320 3.406 -7.717 1.00 . A A . 15 THR HA 1 1 16 14932 1 1 15 THR HB H 13.847 4.791 -6.424 1.00 . A A . 15 THR HB 1 1 16 14933 1 1 15 THR HG1 H 14.313 4.287 -4.399 1.00 . A A . 15 THR HG1 1 1 16 14934 1 1 15 THR HG21 H 12.026 5.845 -5.053 1.00 . A A . 15 THR HG21 1 1 16 14935 1 1 15 THR HG22 H 11.043 4.344 -5.174 1.00 . A A . 15 THR HG22 1 1 16 14936 1 1 15 THR HG23 H 11.400 5.296 -6.657 1.00 . A A . 15 THR HG23 1 1 16 14937 1 1 15 THR N N 11.781 2.055 -6.241 1.00 . A A . 15 THR N 1 1 16 14938 1 1 15 THR O O 14.509 1.382 -6.503 1.00 . A A . 15 THR O 1 1 16 14939 1 1 15 THR OG1 O 13.563 3.710 -4.644 1.00 . A A . 15 THR OG1 1 1 16 14940 1 1 16 ARG C C 17.078 3.071 -7.915 1.00 . A A . 16 ARG C 1 1 16 14941 1 1 16 ARG CA C 15.995 2.293 -8.644 1.00 . A A . 16 ARG CA 1 1 16 14942 1 1 16 ARG CB C 16.215 2.364 -10.164 1.00 . A A . 16 ARG CB 1 1 16 14943 1 1 16 ARG CD C 15.541 1.438 -12.438 1.00 . A A . 16 ARG CD 1 1 16 14944 1 1 16 ARG CG C 15.248 1.466 -10.939 1.00 . A A . 16 ARG CG 1 1 16 14945 1 1 16 ARG CZ C 14.077 0.822 -14.378 1.00 . A A . 16 ARG CZ 1 1 16 14946 1 1 16 ARG H H 14.220 3.439 -8.827 1.00 . A A . 16 ARG H 1 1 16 14947 1 1 16 ARG HA H 16.116 1.265 -8.339 1.00 . A A . 16 ARG HA 1 1 16 14948 1 1 16 ARG HB2 H 16.100 3.411 -10.505 1.00 . A A . 16 ARG HB2 1 1 16 14949 1 1 16 ARG HB3 H 17.240 2.020 -10.416 1.00 . A A . 16 ARG HB3 1 1 16 14950 1 1 16 ARG HD2 H 15.542 2.473 -12.847 1.00 . A A . 16 ARG HD2 1 1 16 14951 1 1 16 ARG HD3 H 16.512 0.944 -12.655 1.00 . A A . 16 ARG HD3 1 1 16 14952 1 1 16 ARG HE H 13.872 0.068 -12.498 1.00 . A A . 16 ARG HE 1 1 16 14953 1 1 16 ARG HG2 H 15.333 0.435 -10.532 1.00 . A A . 16 ARG HG2 1 1 16 14954 1 1 16 ARG HG3 H 14.205 1.824 -10.775 1.00 . A A . 16 ARG HG3 1 1 16 14955 1 1 16 ARG HH11 H 15.614 2.090 -14.868 1.00 . A A . 16 ARG HH11 1 1 16 14956 1 1 16 ARG HH12 H 14.492 1.771 -16.148 1.00 . A A . 16 ARG HH12 1 1 16 14957 1 1 16 ARG HH21 H 12.404 -0.351 -14.210 1.00 . A A . 16 ARG HH21 1 1 16 14958 1 1 16 ARG HH22 H 12.659 0.342 -15.784 1.00 . A A . 16 ARG HH22 1 1 16 14959 1 1 16 ARG N N 14.651 2.716 -8.284 1.00 . A A . 16 ARG N 1 1 16 14960 1 1 16 ARG NE N 14.446 0.646 -13.076 1.00 . A A . 16 ARG NE 1 1 16 14961 1 1 16 ARG NH1 N 14.812 1.605 -15.216 1.00 . A A . 16 ARG NH1 1 1 16 14962 1 1 16 ARG NH2 N 12.947 0.212 -14.834 1.00 . A A . 16 ARG NH2 1 1 16 14963 1 1 16 ARG O O 18.246 3.070 -8.305 1.00 . A A . 16 ARG O 1 1 16 14964 1 1 17 SER C C 18.568 3.578 -5.197 1.00 . A A . 17 SER C 1 1 16 14965 1 1 17 SER CA C 17.609 4.493 -5.948 1.00 . A A . 17 SER CA 1 1 16 14966 1 1 17 SER CB C 16.860 5.451 -4.974 1.00 . A A . 17 SER CB 1 1 16 14967 1 1 17 SER H H 15.770 3.699 -6.534 1.00 . A A . 17 SER H 1 1 16 14968 1 1 17 SER HA H 18.234 5.114 -6.567 1.00 . A A . 17 SER HA 1 1 16 14969 1 1 17 SER HB2 H 17.564 6.109 -4.424 1.00 . A A . 17 SER HB2 1 1 16 14970 1 1 17 SER HB3 H 16.224 6.130 -5.580 1.00 . A A . 17 SER HB3 1 1 16 14971 1 1 17 SER HG H 16.567 4.593 -3.250 1.00 . A A . 17 SER HG 1 1 16 14972 1 1 17 SER N N 16.709 3.789 -6.844 1.00 . A A . 17 SER N 1 1 16 14973 1 1 17 SER O O 18.495 2.350 -5.251 1.00 . A A . 17 SER O 1 1 16 14974 1 1 17 SER OG O 16.018 4.769 -4.046 1.00 . A A . 17 SER OG 1 1 16 14975 1 1 18 GLN C C 20.887 4.438 -2.570 1.00 . A A . 18 GLN C 1 1 16 14976 1 1 18 GLN CA C 20.534 3.499 -3.716 1.00 . A A . 18 GLN CA 1 1 16 14977 1 1 18 GLN CB C 21.796 3.334 -4.608 1.00 . A A . 18 GLN CB 1 1 16 14978 1 1 18 GLN CD C 21.647 0.847 -5.063 1.00 . A A . 18 GLN CD 1 1 16 14979 1 1 18 GLN CG C 21.707 2.234 -5.689 1.00 . A A . 18 GLN CG 1 1 16 14980 1 1 18 GLN H H 19.623 5.163 -4.508 1.00 . A A . 18 GLN H 1 1 16 14981 1 1 18 GLN HA H 20.194 2.555 -3.332 1.00 . A A . 18 GLN HA 1 1 16 14982 1 1 18 GLN HB2 H 21.972 4.308 -5.120 1.00 . A A . 18 GLN HB2 1 1 16 14983 1 1 18 GLN HB3 H 22.687 3.140 -3.972 1.00 . A A . 18 GLN HB3 1 1 16 14984 1 1 18 GLN HE21 H 19.617 0.863 -5.022 1.00 . A A . 18 GLN HE21 1 1 16 14985 1 1 18 GLN HE22 H 20.385 -0.613 -4.439 1.00 . A A . 18 GLN HE22 1 1 16 14986 1 1 18 GLN HG2 H 20.832 2.389 -6.351 1.00 . A A . 18 GLN HG2 1 1 16 14987 1 1 18 GLN HG3 H 22.620 2.275 -6.322 1.00 . A A . 18 GLN HG3 1 1 16 14988 1 1 18 GLN N N 19.485 4.175 -4.433 1.00 . A A . 18 GLN N 1 1 16 14989 1 1 18 GLN NE2 N 20.434 0.309 -4.825 1.00 . A A . 18 GLN NE2 1 1 16 14990 1 1 18 GLN O O 21.639 5.392 -2.773 1.00 . A A . 18 GLN O 1 1 16 14991 1 1 18 GLN OE1 O 22.689 0.239 -4.801 1.00 . A A . 18 GLN OE1 1 1 16 14992 1 1 19 PRO C C 18.157 3.044 -1.569 1.00 . A A . 19 PRO C 1 1 16 14993 1 1 19 PRO CA C 19.539 3.136 -0.907 1.00 . A A . 19 PRO CA 1 1 16 14994 1 1 19 PRO CB C 19.409 3.387 0.605 1.00 . A A . 19 PRO CB 1 1 16 14995 1 1 19 PRO CD C 20.591 5.246 -0.311 1.00 . A A . 19 PRO CD 1 1 16 14996 1 1 19 PRO CG C 19.563 4.900 0.756 1.00 . A A . 19 PRO CG 1 1 16 14997 1 1 19 PRO HA H 20.090 2.233 -1.120 1.00 . A A . 19 PRO HA 1 1 16 14998 1 1 19 PRO HB2 H 18.451 3.017 1.037 1.00 . A A . 19 PRO HB2 1 1 16 14999 1 1 19 PRO HB3 H 20.273 2.902 1.116 1.00 . A A . 19 PRO HB3 1 1 16 15000 1 1 19 PRO HD2 H 20.456 6.288 -0.679 1.00 . A A . 19 PRO HD2 1 1 16 15001 1 1 19 PRO HD3 H 21.627 5.107 0.074 1.00 . A A . 19 PRO HD3 1 1 16 15002 1 1 19 PRO HG2 H 18.595 5.396 0.520 1.00 . A A . 19 PRO HG2 1 1 16 15003 1 1 19 PRO HG3 H 19.894 5.197 1.771 1.00 . A A . 19 PRO HG3 1 1 16 15004 1 1 19 PRO N N 20.346 4.269 -1.368 1.00 . A A . 19 PRO N 1 1 16 15005 1 1 19 PRO O O 17.608 4.082 -1.950 1.00 . A A . 19 PRO O 1 1 16 15006 1 1 20 PRO C C 15.132 2.030 -1.584 1.00 . A A . 20 PRO C 1 1 16 15007 1 1 20 PRO CA C 16.315 1.704 -2.472 1.00 . A A . 20 PRO CA 1 1 16 15008 1 1 20 PRO CB C 16.320 0.211 -2.835 1.00 . A A . 20 PRO CB 1 1 16 15009 1 1 20 PRO CD C 18.126 0.578 -1.317 1.00 . A A . 20 PRO CD 1 1 16 15010 1 1 20 PRO CG C 17.041 -0.446 -1.656 1.00 . A A . 20 PRO CG 1 1 16 15011 1 1 20 PRO HA H 16.252 2.333 -3.346 1.00 . A A . 20 PRO HA 1 1 16 15012 1 1 20 PRO HB2 H 15.307 -0.202 -3.005 1.00 . A A . 20 PRO HB2 1 1 16 15013 1 1 20 PRO HB3 H 16.924 0.070 -3.758 1.00 . A A . 20 PRO HB3 1 1 16 15014 1 1 20 PRO HD2 H 18.313 0.604 -0.219 1.00 . A A . 20 PRO HD2 1 1 16 15015 1 1 20 PRO HD3 H 19.061 0.341 -1.874 1.00 . A A . 20 PRO HD3 1 1 16 15016 1 1 20 PRO HG2 H 16.336 -0.536 -0.801 1.00 . A A . 20 PRO HG2 1 1 16 15017 1 1 20 PRO HG3 H 17.452 -1.445 -1.902 1.00 . A A . 20 PRO HG3 1 1 16 15018 1 1 20 PRO N N 17.593 1.860 -1.790 1.00 . A A . 20 PRO N 1 1 16 15019 1 1 20 PRO O O 15.278 2.221 -0.378 1.00 . A A . 20 PRO O 1 1 16 15020 1 1 21 THR C C 11.577 1.865 -2.281 1.00 . A A . 21 THR C 1 1 16 15021 1 1 21 THR CA C 12.708 2.422 -1.462 1.00 . A A . 21 THR CA 1 1 16 15022 1 1 21 THR CB C 12.585 3.948 -1.308 1.00 . A A . 21 THR CB 1 1 16 15023 1 1 21 THR CG2 C 11.335 4.600 -1.921 1.00 . A A . 21 THR CG2 1 1 16 15024 1 1 21 THR H H 13.851 2.031 -3.171 1.00 . A A . 21 THR H 1 1 16 15025 1 1 21 THR HA H 12.672 1.923 -0.502 1.00 . A A . 21 THR HA 1 1 16 15026 1 1 21 THR HB H 13.469 4.385 -1.836 1.00 . A A . 21 THR HB 1 1 16 15027 1 1 21 THR HG1 H 12.890 5.281 0.023 1.00 . A A . 21 THR HG1 1 1 16 15028 1 1 21 THR HG21 H 11.269 4.372 -3.006 1.00 . A A . 21 THR HG21 1 1 16 15029 1 1 21 THR HG22 H 11.395 5.704 -1.824 1.00 . A A . 21 THR HG22 1 1 16 15030 1 1 21 THR HG23 H 10.408 4.257 -1.418 1.00 . A A . 21 THR HG23 1 1 16 15031 1 1 21 THR N N 13.927 2.065 -2.168 1.00 . A A . 21 THR N 1 1 16 15032 1 1 21 THR O O 11.684 1.668 -3.488 1.00 . A A . 21 THR O 1 1 16 15033 1 1 21 THR OG1 O 12.629 4.338 0.060 1.00 . A A . 21 THR OG1 1 1 16 15034 1 1 22 CYS C C 8.049 1.470 -1.728 1.00 . A A . 22 CYS C 1 1 16 15035 1 1 22 CYS CA C 9.317 1.015 -2.389 1.00 . A A . 22 CYS CA 1 1 16 15036 1 1 22 CYS CB C 9.393 -0.528 -2.548 1.00 . A A . 22 CYS CB 1 1 16 15037 1 1 22 CYS H H 10.354 1.665 -0.656 1.00 . A A . 22 CYS H 1 1 16 15038 1 1 22 CYS HA H 9.277 1.484 -3.357 1.00 . A A . 22 CYS HA 1 1 16 15039 1 1 22 CYS HB2 H 10.460 -0.775 -2.726 1.00 . A A . 22 CYS HB2 1 1 16 15040 1 1 22 CYS HB3 H 9.096 -1.016 -1.598 1.00 . A A . 22 CYS HB3 1 1 16 15041 1 1 22 CYS N N 10.450 1.526 -1.647 1.00 . A A . 22 CYS N 1 1 16 15042 1 1 22 CYS O O 8.050 1.884 -0.568 1.00 . A A . 22 CYS O 1 1 16 15043 1 1 22 CYS SG S 8.430 -1.195 -3.946 1.00 . A A . 22 CYS SG 1 1 16 15044 1 1 23 ARG C C 4.554 1.682 -2.942 1.00 . A A . 23 ARG C 1 1 16 15045 1 1 23 ARG CA C 5.696 1.991 -1.987 1.00 . A A . 23 ARG CA 1 1 16 15046 1 1 23 ARG CB C 5.793 3.540 -1.868 1.00 . A A . 23 ARG CB 1 1 16 15047 1 1 23 ARG CD C 4.786 5.647 -0.838 1.00 . A A . 23 ARG CD 1 1 16 15048 1 1 23 ARG CG C 5.074 4.156 -0.654 1.00 . A A . 23 ARG CG 1 1 16 15049 1 1 23 ARG CZ C 3.164 6.939 -2.274 1.00 . A A . 23 ARG CZ 1 1 16 15050 1 1 23 ARG H H 6.990 1.158 -3.431 1.00 . A A . 23 ARG H 1 1 16 15051 1 1 23 ARG HA H 5.459 1.550 -1.034 1.00 . A A . 23 ARG HA 1 1 16 15052 1 1 23 ARG HB2 H 6.862 3.836 -1.784 1.00 . A A . 23 ARG HB2 1 1 16 15053 1 1 23 ARG HB3 H 5.422 4.016 -2.799 1.00 . A A . 23 ARG HB3 1 1 16 15054 1 1 23 ARG HD2 H 4.406 6.081 0.108 1.00 . A A . 23 ARG HD2 1 1 16 15055 1 1 23 ARG HD3 H 5.687 6.186 -1.194 1.00 . A A . 23 ARG HD3 1 1 16 15056 1 1 23 ARG HE H 3.371 4.914 -2.291 1.00 . A A . 23 ARG HE 1 1 16 15057 1 1 23 ARG HG2 H 4.108 3.666 -0.439 1.00 . A A . 23 ARG HG2 1 1 16 15058 1 1 23 ARG HG3 H 5.698 4.017 0.253 1.00 . A A . 23 ARG HG3 1 1 16 15059 1 1 23 ARG HH11 H 4.226 8.109 -0.976 1.00 . A A . 23 ARG HH11 1 1 16 15060 1 1 23 ARG HH12 H 3.151 8.985 -2.003 1.00 . A A . 23 ARG HH12 1 1 16 15061 1 1 23 ARG HH21 H 1.967 6.021 -3.651 1.00 . A A . 23 ARG HH21 1 1 16 15062 1 1 23 ARG HH22 H 1.786 7.745 -3.585 1.00 . A A . 23 ARG HH22 1 1 16 15063 1 1 23 ARG N N 6.931 1.411 -2.462 1.00 . A A . 23 ARG N 1 1 16 15064 1 1 23 ARG NE N 3.712 5.754 -1.873 1.00 . A A . 23 ARG NE 1 1 16 15065 1 1 23 ARG NH1 N 3.547 8.117 -1.708 1.00 . A A . 23 ARG NH1 1 1 16 15066 1 1 23 ARG NH2 N 2.223 6.907 -3.261 1.00 . A A . 23 ARG NH2 1 1 16 15067 1 1 23 ARG O O 4.722 1.508 -4.150 1.00 . A A . 23 ARG O 1 1 16 15068 1 1 24 CYS C C 1.562 2.624 -3.741 1.00 . A A . 24 CYS C 1 1 16 15069 1 1 24 CYS CA C 2.108 1.348 -3.122 1.00 . A A . 24 CYS CA 1 1 16 15070 1 1 24 CYS CB C 1.011 0.750 -2.201 1.00 . A A . 24 CYS CB 1 1 16 15071 1 1 24 CYS H H 3.248 1.584 -1.398 1.00 . A A . 24 CYS H 1 1 16 15072 1 1 24 CYS HA H 2.309 0.651 -3.918 1.00 . A A . 24 CYS HA 1 1 16 15073 1 1 24 CYS HB2 H 0.771 1.485 -1.400 1.00 . A A . 24 CYS HB2 1 1 16 15074 1 1 24 CYS HB3 H 0.078 0.578 -2.778 1.00 . A A . 24 CYS HB3 1 1 16 15075 1 1 24 CYS N N 3.337 1.567 -2.388 1.00 . A A . 24 CYS N 1 1 16 15076 1 1 24 CYS O O 1.184 3.565 -3.054 1.00 . A A . 24 CYS O 1 1 16 15077 1 1 24 CYS SG S 1.560 -0.804 -1.433 1.00 . A A . 24 CYS SG 1 1 16 15078 1 1 25 VAL C C -0.614 3.795 -5.667 1.00 . A A . 25 VAL C 1 1 16 15079 1 1 25 VAL CA C 0.892 3.735 -5.861 1.00 . A A . 25 VAL CA 1 1 16 15080 1 1 25 VAL CB C 1.310 3.715 -7.322 1.00 . A A . 25 VAL CB 1 1 16 15081 1 1 25 VAL CG1 C 2.840 3.876 -7.366 1.00 . A A . 25 VAL CG1 1 1 16 15082 1 1 25 VAL CG2 C 0.899 2.420 -8.035 1.00 . A A . 25 VAL CG2 1 1 16 15083 1 1 25 VAL H H 1.771 1.904 -5.632 1.00 . A A . 25 VAL H 1 1 16 15084 1 1 25 VAL HA H 1.252 4.668 -5.458 1.00 . A A . 25 VAL HA 1 1 16 15085 1 1 25 VAL HB H 0.842 4.582 -7.847 1.00 . A A . 25 VAL HB 1 1 16 15086 1 1 25 VAL HG11 H 3.345 3.013 -6.879 1.00 . A A . 25 VAL HG11 1 1 16 15087 1 1 25 VAL HG12 H 3.147 4.806 -6.840 1.00 . A A . 25 VAL HG12 1 1 16 15088 1 1 25 VAL HG13 H 3.191 3.934 -8.417 1.00 . A A . 25 VAL HG13 1 1 16 15089 1 1 25 VAL HG21 H 1.193 2.473 -9.103 1.00 . A A . 25 VAL HG21 1 1 16 15090 1 1 25 VAL HG22 H -0.199 2.267 -8.002 1.00 . A A . 25 VAL HG22 1 1 16 15091 1 1 25 VAL HG23 H 1.408 1.541 -7.597 1.00 . A A . 25 VAL HG23 1 1 16 15092 1 1 25 VAL N N 1.548 2.701 -5.085 1.00 . A A . 25 VAL N 1 1 16 15093 1 1 25 VAL O O -1.252 4.839 -5.791 1.00 . A A . 25 VAL O 1 1 16 15094 1 1 26 ASP C C -2.931 2.450 -3.680 1.00 . A A . 26 ASP C 1 1 16 15095 1 1 26 ASP CA C -2.646 2.485 -5.167 1.00 . A A . 26 ASP CA 1 1 16 15096 1 1 26 ASP CB C -3.188 1.190 -5.825 1.00 . A A . 26 ASP CB 1 1 16 15097 1 1 26 ASP CG C -4.682 1.248 -6.118 1.00 . A A . 26 ASP CG 1 1 16 15098 1 1 26 ASP H H -0.649 1.827 -5.244 1.00 . A A . 26 ASP H 1 1 16 15099 1 1 26 ASP HA H -3.157 3.344 -5.582 1.00 . A A . 26 ASP HA 1 1 16 15100 1 1 26 ASP HB2 H -2.706 1.099 -6.820 1.00 . A A . 26 ASP HB2 1 1 16 15101 1 1 26 ASP HB3 H -2.938 0.301 -5.221 1.00 . A A . 26 ASP HB3 1 1 16 15102 1 1 26 ASP HD2 H -5.064 0.524 -4.283 1.00 . A A . 26 ASP HD2 1 1 16 15103 1 1 26 ASP N N -1.225 2.626 -5.390 1.00 . A A . 26 ASP N 1 1 16 15104 1 1 26 ASP O O -2.096 2.072 -2.865 1.00 . A A . 26 ASP O 1 1 16 15105 1 1 26 ASP OD1 O -5.150 1.679 -7.154 1.00 . A A . 26 ASP OD1 1 1 16 15106 1 1 26 ASP OD2 O -5.488 0.767 -5.112 1.00 . A A . 26 ASP OD2 1 1 16 15107 1 1 27 VAL C C -5.036 1.541 -1.394 1.00 . A A . 27 VAL C 1 1 16 15108 1 1 27 VAL CA C -4.604 2.882 -1.939 1.00 . A A . 27 VAL CA 1 1 16 15109 1 1 27 VAL CB C -5.710 3.929 -1.776 1.00 . A A . 27 VAL CB 1 1 16 15110 1 1 27 VAL CG1 C -5.503 5.099 -2.753 1.00 . A A . 27 VAL CG1 1 1 16 15111 1 1 27 VAL CG2 C -7.127 3.365 -1.982 1.00 . A A . 27 VAL CG2 1 1 16 15112 1 1 27 VAL H H -4.836 3.079 -3.986 1.00 . A A . 27 VAL H 1 1 16 15113 1 1 27 VAL HA H -3.782 3.206 -1.319 1.00 . A A . 27 VAL HA 1 1 16 15114 1 1 27 VAL HB H -5.640 4.344 -0.748 1.00 . A A . 27 VAL HB 1 1 16 15115 1 1 27 VAL HG11 H -6.155 5.947 -2.450 1.00 . A A . 27 VAL HG11 1 1 16 15116 1 1 27 VAL HG12 H -5.800 4.827 -3.787 1.00 . A A . 27 VAL HG12 1 1 16 15117 1 1 27 VAL HG13 H -4.451 5.448 -2.755 1.00 . A A . 27 VAL HG13 1 1 16 15118 1 1 27 VAL HG21 H -7.842 4.207 -2.011 1.00 . A A . 27 VAL HG21 1 1 16 15119 1 1 27 VAL HG22 H -7.434 2.704 -1.145 1.00 . A A . 27 VAL HG22 1 1 16 15120 1 1 27 VAL HG23 H -7.202 2.807 -2.938 1.00 . A A . 27 VAL HG23 1 1 16 15121 1 1 27 VAL N N -4.160 2.811 -3.310 1.00 . A A . 27 VAL N 1 1 16 15122 1 1 27 VAL O O -5.150 0.566 -2.136 1.00 . A A . 27 VAL O 1 1 16 15123 1 1 28 ARG C C -7.294 0.976 1.180 1.00 . A A . 28 ARG C 1 1 16 15124 1 1 28 ARG CA C -6.035 0.422 0.554 1.00 . A A . 28 ARG CA 1 1 16 15125 1 1 28 ARG CB C -5.199 -0.269 1.642 1.00 . A A . 28 ARG CB 1 1 16 15126 1 1 28 ARG CD C -4.670 -2.359 0.225 1.00 . A A . 28 ARG CD 1 1 16 15127 1 1 28 ARG CG C -4.123 -1.207 1.076 1.00 . A A . 28 ARG CG 1 1 16 15128 1 1 28 ARG CZ C -6.834 -3.514 0.794 1.00 . A A . 28 ARG CZ 1 1 16 15129 1 1 28 ARG H H -5.110 2.263 0.522 1.00 . A A . 28 ARG H 1 1 16 15130 1 1 28 ARG HA H -6.358 -0.290 -0.186 1.00 . A A . 28 ARG HA 1 1 16 15131 1 1 28 ARG HB2 H -4.707 0.525 2.246 1.00 . A A . 28 ARG HB2 1 1 16 15132 1 1 28 ARG HB3 H -5.854 -0.855 2.323 1.00 . A A . 28 ARG HB3 1 1 16 15133 1 1 28 ARG HD2 H -5.241 -1.984 -0.647 1.00 . A A . 28 ARG HD2 1 1 16 15134 1 1 28 ARG HD3 H -3.845 -3.002 -0.130 1.00 . A A . 28 ARG HD3 1 1 16 15135 1 1 28 ARG HE H -5.277 -3.279 2.070 1.00 . A A . 28 ARG HE 1 1 16 15136 1 1 28 ARG HG2 H -3.419 -0.607 0.462 1.00 . A A . 28 ARG HG2 1 1 16 15137 1 1 28 ARG HG3 H -3.567 -1.651 1.933 1.00 . A A . 28 ARG HG3 1 1 16 15138 1 1 28 ARG HH11 H -6.769 -2.953 -1.176 1.00 . A A . 28 ARG HH11 1 1 16 15139 1 1 28 ARG HH12 H -8.281 -3.619 -0.648 1.00 . A A . 28 ARG HH12 1 1 16 15140 1 1 28 ARG HH21 H -7.234 -4.085 2.700 1.00 . A A . 28 ARG HH21 1 1 16 15141 1 1 28 ARG HH22 H -8.574 -4.251 1.579 1.00 . A A . 28 ARG HH22 1 1 16 15142 1 1 28 ARG N N -5.295 1.485 -0.075 1.00 . A A . 28 ARG N 1 1 16 15143 1 1 28 ARG NE N -5.553 -3.170 1.114 1.00 . A A . 28 ARG NE 1 1 16 15144 1 1 28 ARG NH1 N -7.339 -3.346 -0.457 1.00 . A A . 28 ARG NH1 1 1 16 15145 1 1 28 ARG NH2 N -7.623 -4.015 1.782 1.00 . A A . 28 ARG NH2 1 1 16 15146 1 1 28 ARG O O -7.426 2.169 1.443 1.00 . A A . 28 ARG O 1 1 16 15147 1 1 29 GLU C C -9.466 0.888 3.471 1.00 . A A . 29 GLU C 1 1 16 15148 1 1 29 GLU CA C -9.535 0.274 2.086 1.00 . A A . 29 GLU CA 1 1 16 15149 1 1 29 GLU CB C -10.275 -1.069 2.074 1.00 . A A . 29 GLU CB 1 1 16 15150 1 1 29 GLU CD C -12.534 -0.688 3.276 1.00 . A A . 29 GLU CD 1 1 16 15151 1 1 29 GLU CG C -11.813 -0.943 1.959 1.00 . A A . 29 GLU CG 1 1 16 15152 1 1 29 GLU H H -8.092 -0.875 1.192 1.00 . A A . 29 GLU H 1 1 16 15153 1 1 29 GLU HA H -10.085 0.979 1.484 1.00 . A A . 29 GLU HA 1 1 16 15154 1 1 29 GLU HB2 H -9.942 -1.601 1.153 1.00 . A A . 29 GLU HB2 1 1 16 15155 1 1 29 GLU HB3 H -9.964 -1.707 2.928 1.00 . A A . 29 GLU HB3 1 1 16 15156 1 1 29 GLU HE2 H -12.827 -1.582 4.961 1.00 . A A . 29 GLU HE2 1 1 16 15157 1 1 29 GLU HG2 H -12.081 -0.142 1.242 1.00 . A A . 29 GLU HG2 1 1 16 15158 1 1 29 GLU HG3 H -12.192 -1.906 1.556 1.00 . A A . 29 GLU HG3 1 1 16 15159 1 1 29 GLU N N -8.272 0.079 1.401 1.00 . A A . 29 GLU N 1 1 16 15160 1 1 29 GLU O O -10.380 1.564 3.934 1.00 . A A . 29 GLU O 1 1 16 15161 1 1 29 GLU OE1 O -13.299 0.225 3.535 1.00 . A A . 29 GLU OE1 1 1 16 15162 1 1 29 GLU OE2 O -12.266 -1.669 4.186 1.00 . A A . 29 GLU OE2 1 1 16 15163 1 1 30 SER C C -6.512 1.090 5.601 1.00 . A A . 30 SER C 1 1 16 15164 1 1 30 SER CA C -8.009 1.054 5.487 1.00 . A A . 30 SER CA 1 1 16 15165 1 1 30 SER CB C -8.511 0.025 6.545 1.00 . A A . 30 SER CB 1 1 16 15166 1 1 30 SER H H -7.617 0.189 3.608 1.00 . A A . 30 SER H 1 1 16 15167 1 1 30 SER HA H -8.388 2.045 5.673 1.00 . A A . 30 SER HA 1 1 16 15168 1 1 30 SER HB2 H -8.287 -1.011 6.195 1.00 . A A . 30 SER HB2 1 1 16 15169 1 1 30 SER HB3 H -8.010 0.158 7.530 1.00 . A A . 30 SER HB3 1 1 16 15170 1 1 30 SER HG H -10.168 -0.507 7.408 1.00 . A A . 30 SER HG 1 1 16 15171 1 1 30 SER N N -8.316 0.684 4.119 1.00 . A A . 30 SER N 1 1 16 15172 1 1 30 SER O O -5.801 0.747 4.660 1.00 . A A . 30 SER O 1 1 16 15173 1 1 30 SER OG O -9.911 0.175 6.756 1.00 . A A . 30 SER OG 1 1 16 15174 1 1 31 CYS C C -4.226 0.329 7.977 1.00 . A A . 31 CYS C 1 1 16 15175 1 1 31 CYS CA C -4.545 1.449 7.005 1.00 . A A . 31 CYS CA 1 1 16 15176 1 1 31 CYS CB C -4.018 2.798 7.553 1.00 . A A . 31 CYS CB 1 1 16 15177 1 1 31 CYS H H -6.537 1.811 7.520 1.00 . A A . 31 CYS H 1 1 16 15178 1 1 31 CYS HA H -4.022 1.237 6.081 1.00 . A A . 31 CYS HA 1 1 16 15179 1 1 31 CYS HB2 H -4.646 3.606 7.100 1.00 . A A . 31 CYS HB2 1 1 16 15180 1 1 31 CYS HB3 H -4.147 2.833 8.663 1.00 . A A . 31 CYS HB3 1 1 16 15181 1 1 31 CYS N N -5.971 1.509 6.760 1.00 . A A . 31 CYS N 1 1 16 15182 1 1 31 CYS O O -4.833 0.226 9.040 1.00 . A A . 31 CYS O 1 1 16 15183 1 1 31 CYS SG S -2.290 3.124 7.067 1.00 . A A . 31 CYS SG 1 1 16 15184 1 1 32 HIS C C -1.548 -1.038 9.309 1.00 . A A . 32 HIS C 1 1 16 15185 1 1 32 HIS CA C -2.758 -1.552 8.541 1.00 . A A . 32 HIS CA 1 1 16 15186 1 1 32 HIS CB C -2.447 -2.847 7.743 1.00 . A A . 32 HIS CB 1 1 16 15187 1 1 32 HIS CD2 C -1.032 -4.865 8.565 1.00 . A A . 32 HIS CD2 1 1 16 15188 1 1 32 HIS CE1 C -2.428 -5.539 10.100 1.00 . A A . 32 HIS CE1 1 1 16 15189 1 1 32 HIS CG C -2.125 -4.069 8.533 1.00 . A A . 32 HIS CG 1 1 16 15190 1 1 32 HIS H H -2.782 -0.447 6.767 1.00 . A A . 32 HIS H 1 1 16 15191 1 1 32 HIS HA H -3.519 -1.805 9.266 1.00 . A A . 32 HIS HA 1 1 16 15192 1 1 32 HIS HB2 H -3.374 -3.125 7.199 1.00 . A A . 32 HIS HB2 1 1 16 15193 1 1 32 HIS HB3 H -1.621 -2.667 7.033 1.00 . A A . 32 HIS HB3 1 1 16 15194 1 1 32 HIS HD1 H -3.878 -4.123 9.699 1.00 . A A . 32 HIS HD1 1 1 16 15195 1 1 32 HIS HD2 H -0.126 -4.829 7.972 1.00 . A A . 32 HIS HD2 1 1 16 15196 1 1 32 HIS HE1 H -2.894 -6.073 10.894 1.00 . A A . 32 HIS HE1 1 1 16 15197 1 1 32 HIS HE2 H -0.599 -6.494 9.840 1.00 . A A . 32 HIS HE2 1 1 16 15198 1 1 32 HIS N N -3.242 -0.522 7.645 1.00 . A A . 32 HIS N 1 1 16 15199 1 1 32 HIS ND1 N -2.984 -4.515 9.488 1.00 . A A . 32 HIS ND1 1 1 16 15200 1 1 32 HIS NE2 N -1.241 -5.778 9.561 1.00 . A A . 32 HIS NE2 1 1 16 15201 1 1 32 HIS O O -1.221 0.147 9.318 1.00 . A A . 32 HIS O 1 1 16 15202 1 1 33 SER C C 1.485 -1.174 10.353 1.00 . A A . 33 SER C 1 1 16 15203 1 1 33 SER CA C 0.184 -1.640 10.975 1.00 . A A . 33 SER CA 1 1 16 15204 1 1 33 SER CB C 0.504 -2.896 11.825 1.00 . A A . 33 SER CB 1 1 16 15205 1 1 33 SER H H -1.210 -2.868 10.081 1.00 . A A . 33 SER H 1 1 16 15206 1 1 33 SER HA H -0.175 -0.842 11.611 1.00 . A A . 33 SER HA 1 1 16 15207 1 1 33 SER HB2 H 1.055 -3.646 11.211 1.00 . A A . 33 SER HB2 1 1 16 15208 1 1 33 SER HB3 H 1.143 -2.637 12.701 1.00 . A A . 33 SER HB3 1 1 16 15209 1 1 33 SER HG H -0.556 -3.847 13.158 1.00 . A A . 33 SER HG 1 1 16 15210 1 1 33 SER N N -0.872 -1.937 10.026 1.00 . A A . 33 SER N 1 1 16 15211 1 1 33 SER O O 2.100 -0.217 10.813 1.00 . A A . 33 SER O 1 1 16 15212 1 1 33 SER OG O -0.714 -3.506 12.261 1.00 . A A . 33 SER OG 1 1 16 15213 1 1 34 ALA C C 3.395 -0.448 7.768 1.00 . A A . 34 ALA C 1 1 16 15214 1 1 34 ALA CA C 3.274 -1.646 8.701 1.00 . A A . 34 ALA CA 1 1 16 15215 1 1 34 ALA CB C 3.709 -2.926 7.963 1.00 . A A . 34 ALA CB 1 1 16 15216 1 1 34 ALA H H 1.407 -2.514 8.817 1.00 . A A . 34 ALA H 1 1 16 15217 1 1 34 ALA HA H 3.952 -1.458 9.517 1.00 . A A . 34 ALA HA 1 1 16 15218 1 1 34 ALA HB1 H 4.725 -2.821 7.531 1.00 . A A . 34 ALA HB1 1 1 16 15219 1 1 34 ALA HB2 H 3.000 -3.175 7.144 1.00 . A A . 34 ALA HB2 1 1 16 15220 1 1 34 ALA HB3 H 3.721 -3.776 8.676 1.00 . A A . 34 ALA HB3 1 1 16 15221 1 1 34 ALA N N 1.956 -1.827 9.271 1.00 . A A . 34 ALA N 1 1 16 15222 1 1 34 ALA O O 3.994 -0.488 6.693 1.00 . A A . 34 ALA O 1 1 16 15223 1 1 35 CYS C C 3.430 2.946 8.694 1.00 . A A . 35 CYS C 1 1 16 15224 1 1 35 CYS CA C 2.933 1.981 7.630 1.00 . A A . 35 CYS CA 1 1 16 15225 1 1 35 CYS CB C 1.533 2.402 7.111 1.00 . A A . 35 CYS CB 1 1 16 15226 1 1 35 CYS H H 2.351 0.584 9.093 1.00 . A A . 35 CYS H 1 1 16 15227 1 1 35 CYS HA H 3.646 1.970 6.817 1.00 . A A . 35 CYS HA 1 1 16 15228 1 1 35 CYS HB2 H 1.242 1.665 6.323 1.00 . A A . 35 CYS HB2 1 1 16 15229 1 1 35 CYS HB3 H 0.819 2.305 7.969 1.00 . A A . 35 CYS HB3 1 1 16 15230 1 1 35 CYS N N 2.839 0.672 8.221 1.00 . A A . 35 CYS N 1 1 16 15231 1 1 35 CYS O O 3.290 2.698 9.885 1.00 . A A . 35 CYS O 1 1 16 15232 1 1 35 CYS SG S 1.440 4.087 6.419 1.00 . A A . 35 CYS SG 1 1 16 15233 1 1 36 ASP C C 3.179 6.212 9.170 1.00 . A A . 36 ASP C 1 1 16 15234 1 1 36 ASP CA C 4.299 5.178 9.236 1.00 . A A . 36 ASP CA 1 1 16 15235 1 1 36 ASP CB C 5.659 5.879 8.979 1.00 . A A . 36 ASP CB 1 1 16 15236 1 1 36 ASP CG C 6.863 5.139 9.556 1.00 . A A . 36 ASP CG 1 1 16 15237 1 1 36 ASP H H 4.148 4.259 7.325 1.00 . A A . 36 ASP H 1 1 16 15238 1 1 36 ASP HA H 4.283 4.815 10.258 1.00 . A A . 36 ASP HA 1 1 16 15239 1 1 36 ASP HB2 H 5.832 6.042 7.900 1.00 . A A . 36 ASP HB2 1 1 16 15240 1 1 36 ASP HB3 H 5.676 6.875 9.482 1.00 . A A . 36 ASP HB3 1 1 16 15241 1 1 36 ASP HD2 H 5.967 3.504 9.034 1.00 . A A . 36 ASP HD2 1 1 16 15242 1 1 36 ASP N N 4.037 4.086 8.301 1.00 . A A . 36 ASP N 1 1 16 15243 1 1 36 ASP O O 2.483 6.447 10.153 1.00 . A A . 36 ASP O 1 1 16 15244 1 1 36 ASP OD1 O 7.802 5.676 10.112 1.00 . A A . 36 ASP OD1 1 1 16 15245 1 1 36 ASP OD2 O 6.807 3.780 9.393 1.00 . A A . 36 ASP OD2 1 1 16 15246 1 1 37 LYS C C 0.761 7.493 7.160 1.00 . A A . 37 LYS C 1 1 16 15247 1 1 37 LYS CA C 2.016 7.944 7.878 1.00 . A A . 37 LYS CA 1 1 16 15248 1 1 37 LYS CB C 2.642 9.135 7.122 1.00 . A A . 37 LYS CB 1 1 16 15249 1 1 37 LYS CD C 1.808 11.027 8.602 1.00 . A A . 37 LYS CD 1 1 16 15250 1 1 37 LYS CE C 1.222 12.438 8.672 1.00 . A A . 37 LYS CE 1 1 16 15251 1 1 37 LYS CG C 1.813 10.426 7.190 1.00 . A A . 37 LYS CG 1 1 16 15252 1 1 37 LYS H H 3.532 6.713 7.213 1.00 . A A . 37 LYS H 1 1 16 15253 1 1 37 LYS HA H 1.712 8.277 8.855 1.00 . A A . 37 LYS HA 1 1 16 15254 1 1 37 LYS HB2 H 3.649 9.340 7.539 1.00 . A A . 37 LYS HB2 1 1 16 15255 1 1 37 LYS HB3 H 2.805 8.871 6.063 1.00 . A A . 37 LYS HB3 1 1 16 15256 1 1 37 LYS HD2 H 1.248 10.367 9.300 1.00 . A A . 37 LYS HD2 1 1 16 15257 1 1 37 LYS HD3 H 2.864 11.074 8.957 1.00 . A A . 37 LYS HD3 1 1 16 15258 1 1 37 LYS HE2 H 1.748 13.122 7.972 1.00 . A A . 37 LYS HE2 1 1 16 15259 1 1 37 LYS HE3 H 0.136 12.429 8.443 1.00 . A A . 37 LYS HE3 1 1 16 15260 1 1 37 LYS HG2 H 2.269 11.158 6.487 1.00 . A A . 37 LYS HG2 1 1 16 15261 1 1 37 LYS HG3 H 0.776 10.236 6.840 1.00 . A A . 37 LYS HG3 1 1 16 15262 1 1 37 LYS HZ1 H 0.971 13.917 10.102 1.00 . A A . 37 LYS HZ1 1 1 16 15263 1 1 37 LYS HZ2 H 2.414 13.033 10.257 1.00 . A A . 37 LYS HZ2 1 1 16 15264 1 1 37 LYS HZ3 H 0.937 12.336 10.718 1.00 . A A . 37 LYS HZ3 1 1 16 15265 1 1 37 LYS N N 2.985 6.880 8.017 1.00 . A A . 37 LYS N 1 1 16 15266 1 1 37 LYS NZ N 1.398 12.970 10.035 1.00 . A A . 37 LYS NZ 1 1 16 15267 1 1 37 LYS O O 0.683 7.498 5.930 1.00 . A A . 37 LYS O 1 1 16 15268 1 1 38 CYS C C -2.432 7.945 7.267 1.00 . A A . 38 CYS C 1 1 16 15269 1 1 38 CYS CA C -1.558 6.720 7.417 1.00 . A A . 38 CYS CA 1 1 16 15270 1 1 38 CYS CB C -2.239 5.805 8.461 1.00 . A A . 38 CYS CB 1 1 16 15271 1 1 38 CYS H H -0.200 7.077 8.931 1.00 . A A . 38 CYS H 1 1 16 15272 1 1 38 CYS HA H -1.477 6.257 6.442 1.00 . A A . 38 CYS HA 1 1 16 15273 1 1 38 CYS HB2 H -2.109 6.321 9.438 1.00 . A A . 38 CYS HB2 1 1 16 15274 1 1 38 CYS HB3 H -3.326 5.706 8.254 1.00 . A A . 38 CYS HB3 1 1 16 15275 1 1 38 CYS N N -0.264 7.098 7.929 1.00 . A A . 38 CYS N 1 1 16 15276 1 1 38 CYS O O -2.972 8.464 8.246 1.00 . A A . 38 CYS O 1 1 16 15277 1 1 38 CYS SG S -1.518 4.150 8.632 1.00 . A A . 38 CYS SG 1 1 16 15278 1 1 39 VAL C C -4.815 8.798 5.197 1.00 . A A . 39 VAL C 1 1 16 15279 1 1 39 VAL CA C -3.598 9.483 5.790 1.00 . A A . 39 VAL CA 1 1 16 15280 1 1 39 VAL CB C -3.061 10.562 4.880 1.00 . A A . 39 VAL CB 1 1 16 15281 1 1 39 VAL CG1 C -1.707 11.053 5.402 1.00 . A A . 39 VAL CG1 1 1 16 15282 1 1 39 VAL CG2 C -2.842 10.069 3.465 1.00 . A A . 39 VAL CG2 1 1 16 15283 1 1 39 VAL H H -2.184 8.094 5.209 1.00 . A A . 39 VAL H 1 1 16 15284 1 1 39 VAL HA H -3.881 9.975 6.701 1.00 . A A . 39 VAL HA 1 1 16 15285 1 1 39 VAL HB H -3.768 11.405 4.805 1.00 . A A . 39 VAL HB 1 1 16 15286 1 1 39 VAL HG11 H -1.355 11.883 4.752 1.00 . A A . 39 VAL HG11 1 1 16 15287 1 1 39 VAL HG12 H -0.968 10.226 5.323 1.00 . A A . 39 VAL HG12 1 1 16 15288 1 1 39 VAL HG13 H -1.787 11.394 6.453 1.00 . A A . 39 VAL HG13 1 1 16 15289 1 1 39 VAL HG21 H -2.156 9.198 3.489 1.00 . A A . 39 VAL HG21 1 1 16 15290 1 1 39 VAL HG22 H -2.383 10.914 2.916 1.00 . A A . 39 VAL HG22 1 1 16 15291 1 1 39 VAL HG23 H -3.808 9.813 2.987 1.00 . A A . 39 VAL HG23 1 1 16 15292 1 1 39 VAL N N -2.622 8.448 6.040 1.00 . A A . 39 VAL N 1 1 16 15293 1 1 39 VAL O O -4.669 7.796 4.499 1.00 . A A . 39 VAL O 1 1 16 15294 1 1 40 CYS C C -8.369 9.515 4.719 1.00 . A A . 40 CYS C 1 1 16 15295 1 1 40 CYS CA C -7.229 8.573 5.035 1.00 . A A . 40 CYS CA 1 1 16 15296 1 1 40 CYS CB C -7.741 7.613 6.126 1.00 . A A . 40 CYS CB 1 1 16 15297 1 1 40 CYS H H -6.197 10.032 6.103 1.00 . A A . 40 CYS H 1 1 16 15298 1 1 40 CYS HA H -7.048 8.031 4.129 1.00 . A A . 40 CYS HA 1 1 16 15299 1 1 40 CYS HB2 H -7.886 8.224 7.031 1.00 . A A . 40 CYS HB2 1 1 16 15300 1 1 40 CYS HB3 H -8.736 7.243 5.822 1.00 . A A . 40 CYS HB3 1 1 16 15301 1 1 40 CYS N N -6.043 9.278 5.462 1.00 . A A . 40 CYS N 1 1 16 15302 1 1 40 CYS O O -8.999 10.121 5.589 1.00 . A A . 40 CYS O 1 1 16 15303 1 1 40 CYS SG S -6.675 6.183 6.513 1.00 . A A . 40 CYS SG 1 1 16 15304 1 1 41 ALA C C -11.155 9.698 3.251 1.00 . A A . 41 ALA C 1 1 16 15305 1 1 41 ALA CA C -9.824 10.354 2.927 1.00 . A A . 41 ALA CA 1 1 16 15306 1 1 41 ALA CB C -9.738 10.613 1.427 1.00 . A A . 41 ALA CB 1 1 16 15307 1 1 41 ALA H H -8.159 9.097 2.765 1.00 . A A . 41 ALA H 1 1 16 15308 1 1 41 ALA HA H -9.841 11.325 3.399 1.00 . A A . 41 ALA HA 1 1 16 15309 1 1 41 ALA HB1 H -8.734 11.018 1.195 1.00 . A A . 41 ALA HB1 1 1 16 15310 1 1 41 ALA HB2 H -10.500 11.365 1.125 1.00 . A A . 41 ALA HB2 1 1 16 15311 1 1 41 ALA HB3 H -9.881 9.681 0.842 1.00 . A A . 41 ALA HB3 1 1 16 15312 1 1 41 ALA N N -8.664 9.654 3.421 1.00 . A A . 41 ALA N 1 1 16 15313 1 1 41 ALA O O -11.314 8.479 3.226 1.00 . A A . 41 ALA O 1 1 16 15314 1 1 42 TYR C C -14.438 9.631 2.921 1.00 . A A . 42 TYR C 1 1 16 15315 1 1 42 TYR CA C -13.474 10.127 3.991 1.00 . A A . 42 TYR CA 1 1 16 15316 1 1 42 TYR CB C -14.103 11.319 4.754 1.00 . A A . 42 TYR CB 1 1 16 15317 1 1 42 TYR CD1 C -15.503 12.660 3.097 1.00 . A A . 42 TYR CD1 1 1 16 15318 1 1 42 TYR CD2 C -13.401 13.586 3.848 1.00 . A A . 42 TYR CD2 1 1 16 15319 1 1 42 TYR CE1 C -15.723 13.795 2.304 1.00 . A A . 42 TYR CE1 1 1 16 15320 1 1 42 TYR CE2 C -13.636 14.733 3.079 1.00 . A A . 42 TYR CE2 1 1 16 15321 1 1 42 TYR CG C -14.339 12.542 3.884 1.00 . A A . 42 TYR CG 1 1 16 15322 1 1 42 TYR CZ C -14.795 14.838 2.307 1.00 . A A . 42 TYR CZ 1 1 16 15323 1 1 42 TYR H H -12.017 11.511 3.481 1.00 . A A . 42 TYR H 1 1 16 15324 1 1 42 TYR HA H -13.318 9.315 4.676 1.00 . A A . 42 TYR HA 1 1 16 15325 1 1 42 TYR HB2 H -15.067 11.017 5.213 1.00 . A A . 42 TYR HB2 1 1 16 15326 1 1 42 TYR HB3 H -13.397 11.588 5.568 1.00 . A A . 42 TYR HB3 1 1 16 15327 1 1 42 TYR HD1 H -16.236 11.867 3.095 1.00 . A A . 42 TYR HD1 1 1 16 15328 1 1 42 TYR HD2 H -12.491 13.521 4.423 1.00 . A A . 42 TYR HD2 1 1 16 15329 1 1 42 TYR HE1 H -16.610 13.870 1.695 1.00 . A A . 42 TYR HE1 1 1 16 15330 1 1 42 TYR HE2 H -12.916 15.534 3.099 1.00 . A A . 42 TYR HE2 1 1 16 15331 1 1 42 TYR HH H -14.195 16.502 1.531 1.00 . A A . 42 TYR HH 1 1 16 15332 1 1 42 TYR N N -12.177 10.532 3.490 1.00 . A A . 42 TYR N 1 1 16 15333 1 1 42 TYR O O -15.611 9.353 3.170 1.00 . A A . 42 TYR O 1 1 16 15334 1 1 42 TYR OH O -15.023 15.988 1.527 1.00 . A A . 42 TYR OH 1 1 16 15335 1 1 43 SER C C -15.422 8.223 0.151 1.00 . A A . 43 SER C 1 1 16 15336 1 1 43 SER CA C -14.531 9.432 0.398 1.00 . A A . 43 SER CA 1 1 16 15337 1 1 43 SER CB C -13.399 9.439 -0.665 1.00 . A A . 43 SER CB 1 1 16 15338 1 1 43 SER H H -12.940 9.758 1.674 1.00 . A A . 43 SER H 1 1 16 15339 1 1 43 SER HA H -15.145 10.302 0.235 1.00 . A A . 43 SER HA 1 1 16 15340 1 1 43 SER HB2 H -12.831 8.478 -0.611 1.00 . A A . 43 SER HB2 1 1 16 15341 1 1 43 SER HB3 H -13.809 9.581 -1.689 1.00 . A A . 43 SER HB3 1 1 16 15342 1 1 43 SER HG H -11.768 10.435 -1.076 1.00 . A A . 43 SER HG 1 1 16 15343 1 1 43 SER N N -13.910 9.544 1.703 1.00 . A A . 43 SER N 1 1 16 15344 1 1 43 SER O O -15.914 7.549 1.052 1.00 . A A . 43 SER O 1 1 16 15345 1 1 43 SER OG O -12.490 10.507 -0.401 1.00 . A A . 43 SER OG 1 1 16 15346 1 1 44 ASN C C -16.017 6.261 -2.835 1.00 . A A . 44 ASN C 1 1 16 15347 1 1 44 ASN CA C -16.551 6.851 -1.527 1.00 . A A . 44 ASN CA 1 1 16 15348 1 1 44 ASN CB C -17.951 7.472 -1.738 1.00 . A A . 44 ASN CB 1 1 16 15349 1 1 44 ASN CG C -19.049 6.447 -1.991 1.00 . A A . 44 ASN CG 1 1 16 15350 1 1 44 ASN H H -15.362 8.495 -1.859 1.00 . A A . 44 ASN H 1 1 16 15351 1 1 44 ASN HA H -16.594 6.097 -0.764 1.00 . A A . 44 ASN HA 1 1 16 15352 1 1 44 ASN HB2 H -18.207 8.011 -0.807 1.00 . A A . 44 ASN HB2 1 1 16 15353 1 1 44 ASN HB3 H -17.916 8.224 -2.547 1.00 . A A . 44 ASN HB3 1 1 16 15354 1 1 44 ASN HD21 H -18.344 6.015 -3.857 1.00 . A A . 44 ASN HD21 1 1 16 15355 1 1 44 ASN HD22 H -19.720 5.103 -3.351 1.00 . A A . 44 ASN HD22 1 1 16 15356 1 1 44 ASN N N -15.659 7.899 -1.125 1.00 . A A . 44 ASN N 1 1 16 15357 1 1 44 ASN ND2 N -19.056 5.826 -3.187 1.00 . A A . 44 ASN ND2 1 1 16 15358 1 1 44 ASN O O -16.239 6.834 -3.904 1.00 . A A . 44 ASN O 1 1 16 15359 1 1 44 ASN OD1 O -19.899 6.203 -1.136 1.00 . A A . 44 ASN OD1 1 1 16 15360 1 1 45 PRO C C -13.949 5.084 -0.768 1.00 . A A . 45 PRO C 1 1 16 15361 1 1 45 PRO CA C -14.982 4.354 -1.625 1.00 . A A . 45 PRO CA 1 1 16 15362 1 1 45 PRO CB C -14.438 3.047 -2.218 1.00 . A A . 45 PRO CB 1 1 16 15363 1 1 45 PRO CD C -14.755 4.570 -4.036 1.00 . A A . 45 PRO CD 1 1 16 15364 1 1 45 PRO CG C -13.815 3.466 -3.551 1.00 . A A . 45 PRO CG 1 1 16 15365 1 1 45 PRO HA H -15.867 4.210 -1.027 1.00 . A A . 45 PRO HA 1 1 16 15366 1 1 45 PRO HB2 H -13.739 2.522 -1.547 1.00 . A A . 45 PRO HB2 1 1 16 15367 1 1 45 PRO HB3 H -15.280 2.355 -2.400 1.00 . A A . 45 PRO HB3 1 1 16 15368 1 1 45 PRO HD2 H -14.206 5.351 -4.609 1.00 . A A . 45 PRO HD2 1 1 16 15369 1 1 45 PRO HD3 H -15.570 4.145 -4.664 1.00 . A A . 45 PRO HD3 1 1 16 15370 1 1 45 PRO HG2 H -12.810 3.900 -3.372 1.00 . A A . 45 PRO HG2 1 1 16 15371 1 1 45 PRO HG3 H -13.716 2.636 -4.275 1.00 . A A . 45 PRO HG3 1 1 16 15372 1 1 45 PRO N N -15.336 5.124 -2.815 1.00 . A A . 45 PRO N 1 1 16 15373 1 1 45 PRO O O -13.248 5.943 -1.307 1.00 . A A . 45 PRO O 1 1 16 15374 1 1 46 PRO C C -11.483 5.172 1.041 1.00 . A A . 46 PRO C 1 1 16 15375 1 1 46 PRO CA C -12.897 5.577 1.373 1.00 . A A . 46 PRO CA 1 1 16 15376 1 1 46 PRO CB C -13.272 5.158 2.794 1.00 . A A . 46 PRO CB 1 1 16 15377 1 1 46 PRO CD C -14.562 3.818 1.278 1.00 . A A . 46 PRO CD 1 1 16 15378 1 1 46 PRO CG C -13.836 3.749 2.622 1.00 . A A . 46 PRO CG 1 1 16 15379 1 1 46 PRO HA H -12.979 6.640 1.215 1.00 . A A . 46 PRO HA 1 1 16 15380 1 1 46 PRO HB2 H -12.416 5.203 3.497 1.00 . A A . 46 PRO HB2 1 1 16 15381 1 1 46 PRO HB3 H -14.078 5.827 3.166 1.00 . A A . 46 PRO HB3 1 1 16 15382 1 1 46 PRO HD2 H -14.479 2.828 0.754 1.00 . A A . 46 PRO HD2 1 1 16 15383 1 1 46 PRO HD3 H -15.621 4.156 1.441 1.00 . A A . 46 PRO HD3 1 1 16 15384 1 1 46 PRO HG2 H -12.999 3.016 2.552 1.00 . A A . 46 PRO HG2 1 1 16 15385 1 1 46 PRO HG3 H -14.510 3.485 3.458 1.00 . A A . 46 PRO HG3 1 1 16 15386 1 1 46 PRO N N -13.849 4.861 0.538 1.00 . A A . 46 PRO N 1 1 16 15387 1 1 46 PRO O O -11.261 4.117 0.449 1.00 . A A . 46 PRO O 1 1 16 15388 1 1 47 GLN C C -8.257 5.847 2.101 1.00 . A A . 47 GLN C 1 1 16 15389 1 1 47 GLN CA C -9.156 5.807 0.903 1.00 . A A . 47 GLN CA 1 1 16 15390 1 1 47 GLN CB C -8.712 6.924 -0.074 1.00 . A A . 47 GLN CB 1 1 16 15391 1 1 47 GLN CD C -9.572 6.143 -2.343 1.00 . A A . 47 GLN CD 1 1 16 15392 1 1 47 GLN CG C -9.662 7.209 -1.260 1.00 . A A . 47 GLN CG 1 1 16 15393 1 1 47 GLN H H -10.646 6.837 1.913 1.00 . A A . 47 GLN H 1 1 16 15394 1 1 47 GLN HA H -9.026 4.839 0.445 1.00 . A A . 47 GLN HA 1 1 16 15395 1 1 47 GLN HB2 H -8.630 7.876 0.496 1.00 . A A . 47 GLN HB2 1 1 16 15396 1 1 47 GLN HB3 H -7.708 6.677 -0.479 1.00 . A A . 47 GLN HB3 1 1 16 15397 1 1 47 GLN HE21 H -10.832 4.933 -1.317 1.00 . A A . 47 GLN HE21 1 1 16 15398 1 1 47 GLN HE22 H -10.244 4.318 -2.844 1.00 . A A . 47 GLN HE22 1 1 16 15399 1 1 47 GLN HG2 H -10.708 7.312 -0.916 1.00 . A A . 47 GLN HG2 1 1 16 15400 1 1 47 GLN HG3 H -9.354 8.166 -1.733 1.00 . A A . 47 GLN HG3 1 1 16 15401 1 1 47 GLN N N -10.503 6.023 1.350 1.00 . A A . 47 GLN N 1 1 16 15402 1 1 47 GLN NE2 N -10.321 5.039 -2.169 1.00 . A A . 47 GLN NE2 1 1 16 15403 1 1 47 GLN O O -8.572 6.480 3.103 1.00 . A A . 47 GLN O 1 1 16 15404 1 1 47 GLN OE1 O -8.822 6.264 -3.313 1.00 . A A . 47 GLN OE1 1 1 16 15405 1 1 48 CYS C C -4.781 4.986 2.281 1.00 . A A . 48 CYS C 1 1 16 15406 1 1 48 CYS CA C -6.062 5.316 2.990 1.00 . A A . 48 CYS CA 1 1 16 15407 1 1 48 CYS CB C -6.215 4.287 4.131 1.00 . A A . 48 CYS CB 1 1 16 15408 1 1 48 CYS H H -6.900 4.589 1.245 1.00 . A A . 48 CYS H 1 1 16 15409 1 1 48 CYS HA H -5.983 6.317 3.364 1.00 . A A . 48 CYS HA 1 1 16 15410 1 1 48 CYS HB2 H -6.467 3.317 3.643 1.00 . A A . 48 CYS HB2 1 1 16 15411 1 1 48 CYS HB3 H -5.234 4.189 4.646 1.00 . A A . 48 CYS HB3 1 1 16 15412 1 1 48 CYS N N -7.076 5.242 1.979 1.00 . A A . 48 CYS N 1 1 16 15413 1 1 48 CYS O O -4.639 3.977 1.589 1.00 . A A . 48 CYS O 1 1 16 15414 1 1 48 CYS SG S -7.457 4.664 5.412 1.00 . A A . 48 CYS SG 1 1 16 15415 1 1 49 GLN C C -1.472 5.977 2.706 1.00 . A A . 49 GLN C 1 1 16 15416 1 1 49 GLN CA C -2.585 5.894 1.701 1.00 . A A . 49 GLN CA 1 1 16 15417 1 1 49 GLN CB C -2.517 7.085 0.719 1.00 . A A . 49 GLN CB 1 1 16 15418 1 1 49 GLN CD C -3.170 7.944 -1.591 1.00 . A A . 49 GLN CD 1 1 16 15419 1 1 49 GLN CG C -3.287 6.803 -0.580 1.00 . A A . 49 GLN CG 1 1 16 15420 1 1 49 GLN H H -3.973 6.712 2.988 1.00 . A A . 49 GLN H 1 1 16 15421 1 1 49 GLN HA H -2.455 4.964 1.175 1.00 . A A . 49 GLN HA 1 1 16 15422 1 1 49 GLN HB2 H -3.000 7.965 1.205 1.00 . A A . 49 GLN HB2 1 1 16 15423 1 1 49 GLN HB3 H -1.465 7.326 0.450 1.00 . A A . 49 GLN HB3 1 1 16 15424 1 1 49 GLN HE21 H -5.082 8.524 -1.354 1.00 . A A . 49 GLN HE21 1 1 16 15425 1 1 49 GLN HE22 H -4.325 9.044 -2.843 1.00 . A A . 49 GLN HE22 1 1 16 15426 1 1 49 GLN HG2 H -2.878 5.889 -1.058 1.00 . A A . 49 GLN HG2 1 1 16 15427 1 1 49 GLN HG3 H -4.354 6.636 -0.323 1.00 . A A . 49 GLN HG3 1 1 16 15428 1 1 49 GLN N N -3.829 5.911 2.403 1.00 . A A . 49 GLN N 1 1 16 15429 1 1 49 GLN NE2 N -4.329 8.483 -2.015 1.00 . A A . 49 GLN NE2 1 1 16 15430 1 1 49 GLN O O -1.506 6.755 3.660 1.00 . A A . 49 GLN O 1 1 16 15431 1 1 49 GLN OE1 O -2.088 8.361 -2.009 1.00 . A A . 49 GLN OE1 1 1 16 15432 1 1 50 CYS C C 1.668 6.315 2.575 1.00 . A A . 50 CYS C 1 1 16 15433 1 1 50 CYS CA C 0.796 5.292 3.262 1.00 . A A . 50 CYS CA 1 1 16 15434 1 1 50 CYS CB C 1.562 3.954 3.444 1.00 . A A . 50 CYS CB 1 1 16 15435 1 1 50 CYS H H -0.425 4.544 1.717 1.00 . A A . 50 CYS H 1 1 16 15436 1 1 50 CYS HA H 0.563 5.700 4.239 1.00 . A A . 50 CYS HA 1 1 16 15437 1 1 50 CYS HB2 H 0.829 3.140 3.641 1.00 . A A . 50 CYS HB2 1 1 16 15438 1 1 50 CYS HB3 H 2.099 3.684 2.508 1.00 . A A . 50 CYS HB3 1 1 16 15439 1 1 50 CYS N N -0.424 5.166 2.496 1.00 . A A . 50 CYS N 1 1 16 15440 1 1 50 CYS O O 2.408 6.015 1.650 1.00 . A A . 50 CYS O 1 1 16 15441 1 1 50 CYS SG S 2.716 4.051 4.848 1.00 . A A . 50 CYS SG 1 1 16 15442 1 1 51 TYR C C 3.777 8.557 2.479 1.00 . A A . 51 TYR C 1 1 16 15443 1 1 51 TYR CA C 2.275 8.733 2.491 1.00 . A A . 51 TYR CA 1 1 16 15444 1 1 51 TYR CB C 1.867 10.044 3.230 1.00 . A A . 51 TYR CB 1 1 16 15445 1 1 51 TYR CD1 C -0.062 10.341 1.658 1.00 . A A . 51 TYR CD1 1 1 16 15446 1 1 51 TYR CD2 C 1.450 12.206 1.939 1.00 . A A . 51 TYR CD2 1 1 16 15447 1 1 51 TYR CE1 C -0.749 11.041 0.666 1.00 . A A . 51 TYR CE1 1 1 16 15448 1 1 51 TYR CE2 C 0.745 12.917 0.964 1.00 . A A . 51 TYR CE2 1 1 16 15449 1 1 51 TYR CG C 1.065 10.898 2.285 1.00 . A A . 51 TYR CG 1 1 16 15450 1 1 51 TYR CZ C -0.340 12.326 0.308 1.00 . A A . 51 TYR CZ 1 1 16 15451 1 1 51 TYR H H 0.898 7.739 3.750 1.00 . A A . 51 TYR H 1 1 16 15452 1 1 51 TYR HA H 2.050 8.789 1.436 1.00 . A A . 51 TYR HA 1 1 16 15453 1 1 51 TYR HB2 H 1.233 9.829 4.112 1.00 . A A . 51 TYR HB2 1 1 16 15454 1 1 51 TYR HB3 H 2.752 10.608 3.584 1.00 . A A . 51 TYR HB3 1 1 16 15455 1 1 51 TYR HD1 H -0.410 9.351 1.914 1.00 . A A . 51 TYR HD1 1 1 16 15456 1 1 51 TYR HD2 H 2.305 12.696 2.376 1.00 . A A . 51 TYR HD2 1 1 16 15457 1 1 51 TYR HE1 H -1.587 10.557 0.191 1.00 . A A . 51 TYR HE1 1 1 16 15458 1 1 51 TYR HE2 H 1.089 13.908 0.715 1.00 . A A . 51 TYR HE2 1 1 16 15459 1 1 51 TYR HH H -1.574 12.364 -1.182 1.00 . A A . 51 TYR HH 1 1 16 15460 1 1 51 TYR N N 1.526 7.587 2.989 1.00 . A A . 51 TYR N 1 1 16 15461 1 1 51 TYR O O 4.488 8.969 1.567 1.00 . A A . 51 TYR O 1 1 16 15462 1 1 51 TYR OH O -1.014 13.017 -0.714 1.00 . A A . 51 TYR OH 1 1 16 15463 1 1 52 ASP C C 6.146 6.477 2.904 1.00 . A A . 52 ASP C 1 1 16 15464 1 1 52 ASP CA C 5.687 7.665 3.735 1.00 . A A . 52 ASP CA 1 1 16 15465 1 1 52 ASP CB C 5.982 7.420 5.242 1.00 . A A . 52 ASP CB 1 1 16 15466 1 1 52 ASP CG C 7.478 7.379 5.521 1.00 . A A . 52 ASP CG 1 1 16 15467 1 1 52 ASP H H 3.603 7.458 4.105 1.00 . A A . 52 ASP H 1 1 16 15468 1 1 52 ASP HA H 6.242 8.529 3.385 1.00 . A A . 52 ASP HA 1 1 16 15469 1 1 52 ASP HB2 H 5.569 8.260 5.838 1.00 . A A . 52 ASP HB2 1 1 16 15470 1 1 52 ASP HB3 H 5.514 6.470 5.569 1.00 . A A . 52 ASP HB3 1 1 16 15471 1 1 52 ASP HD2 H 8.778 6.470 6.573 1.00 . A A . 52 ASP HD2 1 1 16 15472 1 1 52 ASP N N 4.278 7.908 3.533 1.00 . A A . 52 ASP N 1 1 16 15473 1 1 52 ASP O O 5.403 5.536 2.639 1.00 . A A . 52 ASP O 1 1 16 15474 1 1 52 ASP OD1 O 8.315 8.076 4.980 1.00 . A A . 52 ASP OD1 1 1 16 15475 1 1 52 ASP OD2 O 7.813 6.442 6.451 1.00 . A A . 52 ASP OD2 1 1 16 15476 1 1 53 THR C C 8.208 4.166 2.743 1.00 . A A . 53 THR C 1 1 16 15477 1 1 53 THR CA C 8.083 5.386 1.849 1.00 . A A . 53 THR CA 1 1 16 15478 1 1 53 THR CB C 9.469 5.756 1.329 1.00 . A A . 53 THR CB 1 1 16 15479 1 1 53 THR CG2 C 9.310 6.626 0.076 1.00 . A A . 53 THR CG2 1 1 16 15480 1 1 53 THR H H 8.039 7.237 2.768 1.00 . A A . 53 THR H 1 1 16 15481 1 1 53 THR HA H 7.474 5.093 1.012 1.00 . A A . 53 THR HA 1 1 16 15482 1 1 53 THR HB H 10.065 4.852 1.061 1.00 . A A . 53 THR HB 1 1 16 15483 1 1 53 THR HG1 H 11.114 6.430 2.099 1.00 . A A . 53 THR HG1 1 1 16 15484 1 1 53 THR HG21 H 8.716 7.537 0.294 1.00 . A A . 53 THR HG21 1 1 16 15485 1 1 53 THR HG22 H 8.800 6.056 -0.728 1.00 . A A . 53 THR HG22 1 1 16 15486 1 1 53 THR HG23 H 10.304 6.940 -0.307 1.00 . A A . 53 THR HG23 1 1 16 15487 1 1 53 THR N N 7.424 6.495 2.508 1.00 . A A . 53 THR N 1 1 16 15488 1 1 53 THR O O 8.106 4.218 3.966 1.00 . A A . 53 THR O 1 1 16 15489 1 1 53 THR OG1 O 10.175 6.537 2.284 1.00 . A A . 53 THR OG1 1 1 16 15490 1 1 54 HIS C C 9.639 1.014 2.043 1.00 . A A . 54 HIS C 1 1 16 15491 1 1 54 HIS CA C 8.628 1.773 2.875 1.00 . A A . 54 HIS CA 1 1 16 15492 1 1 54 HIS CB C 7.301 0.976 3.044 1.00 . A A . 54 HIS CB 1 1 16 15493 1 1 54 HIS CD2 C 7.706 -0.185 5.358 1.00 . A A . 54 HIS CD2 1 1 16 15494 1 1 54 HIS CE1 C 6.661 -2.043 4.888 1.00 . A A . 54 HIS CE1 1 1 16 15495 1 1 54 HIS CG C 7.296 -0.124 4.069 1.00 . A A . 54 HIS CG 1 1 16 15496 1 1 54 HIS H H 8.529 2.891 1.147 1.00 . A A . 54 HIS H 1 1 16 15497 1 1 54 HIS HA H 9.090 2.002 3.819 1.00 . A A . 54 HIS HA 1 1 16 15498 1 1 54 HIS HB2 H 6.490 1.676 3.342 1.00 . A A . 54 HIS HB2 1 1 16 15499 1 1 54 HIS HB3 H 7.000 0.518 2.076 1.00 . A A . 54 HIS HB3 1 1 16 15500 1 1 54 HIS HD1 H 6.123 -1.500 2.976 1.00 . A A . 54 HIS HD1 1 1 16 15501 1 1 54 HIS HD2 H 8.238 0.546 5.953 1.00 . A A . 54 HIS HD2 1 1 16 15502 1 1 54 HIS HE1 H 6.185 -2.997 4.950 1.00 . A A . 54 HIS HE1 1 1 16 15503 1 1 54 HIS HE2 H 7.474 -1.741 6.776 1.00 . A A . 54 HIS HE2 1 1 16 15504 1 1 54 HIS N N 8.437 2.993 2.140 1.00 . A A . 54 HIS N 1 1 16 15505 1 1 54 HIS ND1 N 6.648 -1.292 3.805 1.00 . A A . 54 HIS ND1 1 1 16 15506 1 1 54 HIS NE2 N 7.305 -1.400 5.851 1.00 . A A . 54 HIS NE2 1 1 16 15507 1 1 54 HIS O O 10.372 1.605 1.251 1.00 . A A . 54 HIS O 1 1 16 15508 1 1 55 LYS C C 10.189 -2.487 1.201 1.00 . A A . 55 LYS C 1 1 16 15509 1 1 55 LYS CA C 10.697 -1.088 1.470 1.00 . A A . 55 LYS CA 1 1 16 15510 1 1 55 LYS CB C 12.023 -1.104 2.246 1.00 . A A . 55 LYS CB 1 1 16 15511 1 1 55 LYS CD C 13.252 -1.384 4.450 1.00 . A A . 55 LYS CD 1 1 16 15512 1 1 55 LYS CE C 14.347 -2.345 3.985 1.00 . A A . 55 LYS CE 1 1 16 15513 1 1 55 LYS CG C 11.920 -1.558 3.710 1.00 . A A . 55 LYS CG 1 1 16 15514 1 1 55 LYS H H 9.196 -0.792 2.868 1.00 . A A . 55 LYS H 1 1 16 15515 1 1 55 LYS HA H 10.869 -0.653 0.502 1.00 . A A . 55 LYS HA 1 1 16 15516 1 1 55 LYS HB2 H 12.743 -1.741 1.697 1.00 . A A . 55 LYS HB2 1 1 16 15517 1 1 55 LYS HB3 H 12.417 -0.064 2.245 1.00 . A A . 55 LYS HB3 1 1 16 15518 1 1 55 LYS HD2 H 13.597 -0.334 4.309 1.00 . A A . 55 LYS HD2 1 1 16 15519 1 1 55 LYS HD3 H 13.076 -1.536 5.540 1.00 . A A . 55 LYS HD3 1 1 16 15520 1 1 55 LYS HE2 H 14.071 -3.395 4.224 1.00 . A A . 55 LYS HE2 1 1 16 15521 1 1 55 LYS HE3 H 14.536 -2.255 2.895 1.00 . A A . 55 LYS HE3 1 1 16 15522 1 1 55 LYS HG2 H 11.162 -0.940 4.238 1.00 . A A . 55 LYS HG2 1 1 16 15523 1 1 55 LYS HG3 H 11.594 -2.622 3.756 1.00 . A A . 55 LYS HG3 1 1 16 15524 1 1 55 LYS HZ1 H 15.467 -2.090 5.710 1.00 . A A . 55 LYS HZ1 1 1 16 15525 1 1 55 LYS HZ2 H 15.905 -1.056 4.442 1.00 . A A . 55 LYS HZ2 1 1 16 15526 1 1 55 LYS HZ3 H 16.352 -2.692 4.394 1.00 . A A . 55 LYS HZ3 1 1 16 15527 1 1 55 LYS N N 9.721 -0.310 2.187 1.00 . A A . 55 LYS N 1 1 16 15528 1 1 55 LYS NZ N 15.607 -2.024 4.681 1.00 . A A . 55 LYS NZ 1 1 16 15529 1 1 55 LYS O O 10.867 -3.495 1.405 1.00 . A A . 55 LYS O 1 1 16 15530 1 1 56 PHE C C 7.185 -3.586 -0.535 1.00 . A A . 56 PHE C 1 1 16 15531 1 1 56 PHE CA C 8.304 -3.829 0.452 1.00 . A A . 56 PHE CA 1 1 16 15532 1 1 56 PHE CB C 7.737 -4.446 1.768 1.00 . A A . 56 PHE CB 1 1 16 15533 1 1 56 PHE CD1 C 9.147 -6.526 1.869 1.00 . A A . 56 PHE CD1 1 1 16 15534 1 1 56 PHE CD2 C 6.749 -6.775 1.678 1.00 . A A . 56 PHE CD2 1 1 16 15535 1 1 56 PHE CE1 C 9.292 -7.918 1.860 1.00 . A A . 56 PHE CE1 1 1 16 15536 1 1 56 PHE CE2 C 6.889 -8.166 1.673 1.00 . A A . 56 PHE CE2 1 1 16 15537 1 1 56 PHE CG C 7.875 -5.941 1.768 1.00 . A A . 56 PHE CG 1 1 16 15538 1 1 56 PHE CZ C 8.164 -8.740 1.761 1.00 . A A . 56 PHE CZ 1 1 16 15539 1 1 56 PHE H H 8.409 -1.767 0.449 1.00 . A A . 56 PHE H 1 1 16 15540 1 1 56 PHE HA H 9.024 -4.480 -0.030 1.00 . A A . 56 PHE HA 1 1 16 15541 1 1 56 PHE HB2 H 8.322 -4.078 2.637 1.00 . A A . 56 PHE HB2 1 1 16 15542 1 1 56 PHE HB3 H 6.674 -4.163 1.933 1.00 . A A . 56 PHE HB3 1 1 16 15543 1 1 56 PHE HD1 H 10.030 -5.905 1.954 1.00 . A A . 56 PHE HD1 1 1 16 15544 1 1 56 PHE HD2 H 5.759 -6.350 1.610 1.00 . A A . 56 PHE HD2 1 1 16 15545 1 1 56 PHE HE1 H 10.279 -8.350 1.926 1.00 . A A . 56 PHE HE1 1 1 16 15546 1 1 56 PHE HE2 H 6.010 -8.789 1.596 1.00 . A A . 56 PHE HE2 1 1 16 15547 1 1 56 PHE HZ H 8.276 -9.813 1.746 1.00 . A A . 56 PHE HZ 1 1 16 15548 1 1 56 PHE N N 8.943 -2.568 0.712 1.00 . A A . 56 PHE N 1 1 16 15549 1 1 56 PHE O O 6.922 -2.450 -0.928 1.00 . A A . 56 PHE O 1 1 16 15550 1 1 57 CYS C C 4.625 -6.001 -1.488 1.00 . A A . 57 CYS C 1 1 16 15551 1 1 57 CYS CA C 5.251 -4.634 -1.633 1.00 . A A . 57 CYS CA 1 1 16 15552 1 1 57 CYS CB C 5.413 -4.251 -3.119 1.00 . A A . 57 CYS CB 1 1 16 15553 1 1 57 CYS H H 6.841 -5.571 -0.697 1.00 . A A . 57 CYS H 1 1 16 15554 1 1 57 CYS HA H 4.601 -3.928 -1.131 1.00 . A A . 57 CYS HA 1 1 16 15555 1 1 57 CYS HB2 H 5.811 -3.214 -3.138 1.00 . A A . 57 CYS HB2 1 1 16 15556 1 1 57 CYS HB3 H 6.199 -4.907 -3.543 1.00 . A A . 57 CYS HB3 1 1 16 15557 1 1 57 CYS N N 6.517 -4.670 -0.953 1.00 . A A . 57 CYS N 1 1 16 15558 1 1 57 CYS O O 5.189 -7.010 -1.915 1.00 . A A . 57 CYS O 1 1 16 15559 1 1 57 CYS SG S 3.882 -4.350 -4.103 1.00 . A A . 57 CYS SG 1 1 16 15560 1 1 58 TYR C C 1.811 -7.639 -1.860 1.00 . A A . 58 TYR C 1 1 16 15561 1 1 58 TYR CA C 2.696 -7.286 -0.673 1.00 . A A . 58 TYR CA 1 1 16 15562 1 1 58 TYR CB C 1.809 -7.198 0.595 1.00 . A A . 58 TYR CB 1 1 16 15563 1 1 58 TYR CD1 C 2.801 -8.772 2.315 1.00 . A A . 58 TYR CD1 1 1 16 15564 1 1 58 TYR CD2 C 3.186 -6.402 2.569 1.00 . A A . 58 TYR CD2 1 1 16 15565 1 1 58 TYR CE1 C 3.519 -9.019 3.492 1.00 . A A . 58 TYR CE1 1 1 16 15566 1 1 58 TYR CE2 C 3.929 -6.649 3.730 1.00 . A A . 58 TYR CE2 1 1 16 15567 1 1 58 TYR CG C 2.619 -7.459 1.839 1.00 . A A . 58 TYR CG 1 1 16 15568 1 1 58 TYR CZ C 4.087 -7.956 4.201 1.00 . A A . 58 TYR CZ 1 1 16 15569 1 1 58 TYR H H 3.075 -5.218 -0.471 1.00 . A A . 58 TYR H 1 1 16 15570 1 1 58 TYR HA H 3.377 -8.121 -0.552 1.00 . A A . 58 TYR HA 1 1 16 15571 1 1 58 TYR HB2 H 1.334 -6.199 0.669 1.00 . A A . 58 TYR HB2 1 1 16 15572 1 1 58 TYR HB3 H 0.979 -7.934 0.576 1.00 . A A . 58 TYR HB3 1 1 16 15573 1 1 58 TYR HD1 H 2.375 -9.617 1.800 1.00 . A A . 58 TYR HD1 1 1 16 15574 1 1 58 TYR HD2 H 3.056 -5.375 2.265 1.00 . A A . 58 TYR HD2 1 1 16 15575 1 1 58 TYR HE1 H 3.610 -10.040 3.830 1.00 . A A . 58 TYR HE1 1 1 16 15576 1 1 58 TYR HE2 H 4.357 -5.809 4.251 1.00 . A A . 58 TYR HE2 1 1 16 15577 1 1 58 TYR HH H 4.759 -9.122 5.615 1.00 . A A . 58 TYR HH 1 1 16 15578 1 1 58 TYR N N 3.447 -6.058 -0.859 1.00 . A A . 58 TYR N 1 1 16 15579 1 1 58 TYR O O 1.570 -6.862 -2.783 1.00 . A A . 58 TYR O 1 1 16 15580 1 1 58 TYR OH O 4.808 -8.174 5.392 1.00 . A A . 58 TYR OH 1 1 16 15581 1 1 59 LYS C C -1.103 -8.552 -2.374 1.00 . A A . 59 LYS C 1 1 16 15582 1 1 59 LYS CA C 0.166 -9.383 -2.559 1.00 . A A . 59 LYS CA 1 1 16 15583 1 1 59 LYS CB C -0.111 -10.858 -2.199 1.00 . A A . 59 LYS CB 1 1 16 15584 1 1 59 LYS CD C 0.718 -13.275 -2.294 1.00 . A A . 59 LYS CD 1 1 16 15585 1 1 59 LYS CE C 1.942 -14.171 -2.495 1.00 . A A . 59 LYS CE 1 1 16 15586 1 1 59 LYS CG C 1.047 -11.800 -2.567 1.00 . A A . 59 LYS CG 1 1 16 15587 1 1 59 LYS H H 1.626 -9.498 -1.124 1.00 . A A . 59 LYS H 1 1 16 15588 1 1 59 LYS HA H 0.397 -9.332 -3.613 1.00 . A A . 59 LYS HA 1 1 16 15589 1 1 59 LYS HB2 H -0.308 -10.928 -1.109 1.00 . A A . 59 LYS HB2 1 1 16 15590 1 1 59 LYS HB3 H -1.025 -11.198 -2.737 1.00 . A A . 59 LYS HB3 1 1 16 15591 1 1 59 LYS HD2 H 0.357 -13.380 -1.246 1.00 . A A . 59 LYS HD2 1 1 16 15592 1 1 59 LYS HD3 H -0.102 -13.597 -2.976 1.00 . A A . 59 LYS HD3 1 1 16 15593 1 1 59 LYS HE2 H 2.306 -14.099 -3.542 1.00 . A A . 59 LYS HE2 1 1 16 15594 1 1 59 LYS HE3 H 2.756 -13.870 -1.802 1.00 . A A . 59 LYS HE3 1 1 16 15595 1 1 59 LYS HG2 H 1.292 -11.686 -3.648 1.00 . A A . 59 LYS HG2 1 1 16 15596 1 1 59 LYS HG3 H 1.962 -11.540 -1.992 1.00 . A A . 59 LYS HG3 1 1 16 15597 1 1 59 LYS HZ1 H 2.479 -16.159 -2.319 1.00 . A A . 59 LYS HZ1 1 1 16 15598 1 1 59 LYS HZ2 H 0.913 -15.916 -2.920 1.00 . A A . 59 LYS HZ2 1 1 16 15599 1 1 59 LYS HZ3 H 1.231 -15.685 -1.267 1.00 . A A . 59 LYS HZ3 1 1 16 15600 1 1 59 LYS N N 1.331 -8.895 -1.851 1.00 . A A . 59 LYS N 1 1 16 15601 1 1 59 LYS NZ N 1.616 -15.585 -2.228 1.00 . A A . 59 LYS NZ 1 1 16 15602 1 1 59 LYS O O -1.257 -7.769 -1.436 1.00 . A A . 59 LYS O 1 1 16 15603 1 1 60 ALA C C -4.343 -8.766 -2.270 1.00 . A A . 60 ALA C 1 1 16 15604 1 1 60 ALA CA C -3.348 -8.088 -3.200 1.00 . A A . 60 ALA CA 1 1 16 15605 1 1 60 ALA CB C -3.936 -7.979 -4.612 1.00 . A A . 60 ALA CB 1 1 16 15606 1 1 60 ALA H H -1.906 -9.275 -4.102 1.00 . A A . 60 ALA H 1 1 16 15607 1 1 60 ALA HA H -3.201 -7.088 -2.820 1.00 . A A . 60 ALA HA 1 1 16 15608 1 1 60 ALA HB1 H -4.897 -7.427 -4.607 1.00 . A A . 60 ALA HB1 1 1 16 15609 1 1 60 ALA HB2 H -4.085 -8.993 -5.043 1.00 . A A . 60 ALA HB2 1 1 16 15610 1 1 60 ALA HB3 H -3.216 -7.436 -5.263 1.00 . A A . 60 ALA HB3 1 1 16 15611 1 1 60 ALA N N -2.070 -8.734 -3.279 1.00 . A A . 60 ALA N 1 1 16 15612 1 1 60 ALA O O -4.436 -9.986 -2.154 1.00 . A A . 60 ALA O 1 1 16 15613 1 1 61 CYS C C -7.502 -8.076 -1.733 1.00 . A A . 61 CYS C 1 1 16 15614 1 1 61 CYS CA C -6.315 -8.329 -0.841 1.00 . A A . 61 CYS CA 1 1 16 15615 1 1 61 CYS CB C -6.532 -7.496 0.453 1.00 . A A . 61 CYS CB 1 1 16 15616 1 1 61 CYS H H -5.045 -6.960 -1.759 1.00 . A A . 61 CYS H 1 1 16 15617 1 1 61 CYS HA H -6.270 -9.378 -0.606 1.00 . A A . 61 CYS HA 1 1 16 15618 1 1 61 CYS HB2 H -6.275 -6.437 0.236 1.00 . A A . 61 CYS HB2 1 1 16 15619 1 1 61 CYS HB3 H -7.609 -7.510 0.732 1.00 . A A . 61 CYS HB3 1 1 16 15620 1 1 61 CYS N N -5.159 -7.930 -1.614 1.00 . A A . 61 CYS N 1 1 16 15621 1 1 61 CYS O O -7.936 -6.944 -1.895 1.00 . A A . 61 CYS O 1 1 16 15622 1 1 61 CYS SG S -5.634 -8.073 1.931 1.00 . A A . 61 CYS SG 1 1 16 15623 1 1 62 HIS C C -10.267 -10.009 -2.617 1.00 . A A . 62 HIS C 1 1 16 15624 1 1 62 HIS CA C -9.259 -9.020 -3.153 1.00 . A A . 62 HIS CA 1 1 16 15625 1 1 62 HIS CB C -9.017 -9.368 -4.633 1.00 . A A . 62 HIS CB 1 1 16 15626 1 1 62 HIS CD2 C -7.738 -7.129 -4.984 1.00 . A A . 62 HIS CD2 1 1 16 15627 1 1 62 HIS CE1 C -7.505 -7.303 -7.145 1.00 . A A . 62 HIS CE1 1 1 16 15628 1 1 62 HIS CG C -8.280 -8.305 -5.377 1.00 . A A . 62 HIS CG 1 1 16 15629 1 1 62 HIS H H -7.624 -10.015 -2.281 1.00 . A A . 62 HIS H 1 1 16 15630 1 1 62 HIS HA H -9.693 -8.031 -3.074 1.00 . A A . 62 HIS HA 1 1 16 15631 1 1 62 HIS HB2 H -8.452 -10.313 -4.717 1.00 . A A . 62 HIS HB2 1 1 16 15632 1 1 62 HIS HB3 H -9.975 -9.518 -5.166 1.00 . A A . 62 HIS HB3 1 1 16 15633 1 1 62 HIS HD1 H -8.459 -9.125 -7.318 1.00 . A A . 62 HIS HD1 1 1 16 15634 1 1 62 HIS HD2 H -7.710 -6.662 -4.005 1.00 . A A . 62 HIS HD2 1 1 16 15635 1 1 62 HIS HE1 H -7.307 -7.076 -8.167 1.00 . A A . 62 HIS HE1 1 1 16 15636 1 1 62 HIS HE2 H -6.818 -5.620 -6.148 1.00 . A A . 62 HIS HE2 1 1 16 15637 1 1 62 HIS N N -8.036 -9.116 -2.379 1.00 . A A . 62 HIS N 1 1 16 15638 1 1 62 HIS ND1 N -8.120 -8.391 -6.728 1.00 . A A . 62 HIS ND1 1 1 16 15639 1 1 62 HIS NE2 N -7.250 -6.523 -6.108 1.00 . A A . 62 HIS NE2 1 1 16 15640 1 1 62 HIS O O -9.899 -11.044 -2.071 1.00 . A A . 62 HIS O 1 1 16 15641 1 1 63 ASN C C -12.573 -11.920 -3.261 1.00 . A A . 63 ASN C 1 1 16 15642 1 1 63 ASN CA C -12.634 -10.661 -2.426 1.00 . A A . 63 ASN CA 1 1 16 15643 1 1 63 ASN CB C -14.037 -10.022 -2.502 1.00 . A A . 63 ASN CB 1 1 16 15644 1 1 63 ASN CG C -14.124 -8.792 -1.614 1.00 . A A . 63 ASN CG 1 1 16 15645 1 1 63 ASN H H -11.854 -8.918 -3.288 1.00 . A A . 63 ASN H 1 1 16 15646 1 1 63 ASN HA H -12.432 -10.980 -1.423 1.00 . A A . 63 ASN HA 1 1 16 15647 1 1 63 ASN HB2 H -14.279 -9.714 -3.536 1.00 . A A . 63 ASN HB2 1 1 16 15648 1 1 63 ASN HB3 H -14.813 -10.744 -2.184 1.00 . A A . 63 ASN HB3 1 1 16 15649 1 1 63 ASN HD21 H -13.624 -9.825 0.099 1.00 . A A . 63 ASN HD21 1 1 16 15650 1 1 63 ASN HD22 H -14.007 -8.156 0.306 1.00 . A A . 63 ASN HD22 1 1 16 15651 1 1 63 ASN N N -11.575 -9.737 -2.777 1.00 . A A . 63 ASN N 1 1 16 15652 1 1 63 ASN ND2 N -13.908 -8.943 -0.290 1.00 . A A . 63 ASN ND2 1 1 16 15653 1 1 63 ASN O O -12.446 -13.041 -2.775 1.00 . A A . 63 ASN O 1 1 16 15654 1 1 63 ASN OD1 O -14.395 -7.691 -2.104 1.00 . A A . 63 ASN OD1 1 1 16 15655 1 1 64 SER C C -11.023 -13.145 -5.884 1.00 . A A . 64 SER C 1 1 16 15656 1 1 64 SER CA C -12.465 -12.832 -5.540 1.00 . A A . 64 SER CA 1 1 16 15657 1 1 64 SER CB C -13.224 -12.555 -6.858 1.00 . A A . 64 SER CB 1 1 16 15658 1 1 64 SER H H -12.695 -10.806 -4.935 1.00 . A A . 64 SER H 1 1 16 15659 1 1 64 SER HA H -12.881 -13.726 -5.097 1.00 . A A . 64 SER HA 1 1 16 15660 1 1 64 SER HB2 H -12.793 -11.663 -7.360 1.00 . A A . 64 SER HB2 1 1 16 15661 1 1 64 SER HB3 H -13.138 -13.423 -7.549 1.00 . A A . 64 SER HB3 1 1 16 15662 1 1 64 SER HG H -14.684 -11.394 -6.314 1.00 . A A . 64 SER HG 1 1 16 15663 1 1 64 SER N N -12.579 -11.736 -4.587 1.00 . A A . 64 SER N 1 1 16 15664 1 1 64 SER O O -10.693 -13.429 -7.031 1.00 . A A . 64 SER O 1 1 16 15665 1 1 64 SER OG O -14.608 -12.329 -6.598 1.00 . A A . 64 SER OG 1 1 16 15666 1 1 65 GLU C C -8.410 -14.894 -5.480 1.00 . A A . 65 GLU C 1 1 16 15667 1 1 65 GLU CA C -8.710 -13.498 -4.973 1.00 . A A . 65 GLU CA 1 1 16 15668 1 1 65 GLU CB C -7.964 -13.233 -3.644 1.00 . A A . 65 GLU CB 1 1 16 15669 1 1 65 GLU CD C -7.671 -13.731 -1.169 1.00 . A A . 65 GLU CD 1 1 16 15670 1 1 65 GLU CG C -8.190 -14.256 -2.503 1.00 . A A . 65 GLU CG 1 1 16 15671 1 1 65 GLU H H -10.460 -12.896 -3.971 1.00 . A A . 65 GLU H 1 1 16 15672 1 1 65 GLU HA H -8.295 -12.846 -5.722 1.00 . A A . 65 GLU HA 1 1 16 15673 1 1 65 GLU HB2 H -6.876 -13.171 -3.864 1.00 . A A . 65 GLU HB2 1 1 16 15674 1 1 65 GLU HB3 H -8.266 -12.226 -3.303 1.00 . A A . 65 GLU HB3 1 1 16 15675 1 1 65 GLU HE2 H -5.853 -14.089 -1.851 1.00 . A A . 65 GLU HE2 1 1 16 15676 1 1 65 GLU HG2 H -9.270 -14.464 -2.359 1.00 . A A . 65 GLU HG2 1 1 16 15677 1 1 65 GLU HG3 H -7.681 -15.214 -2.726 1.00 . A A . 65 GLU HG3 1 1 16 15678 1 1 65 GLU N N -10.121 -13.122 -4.881 1.00 . A A . 65 GLU N 1 1 16 15679 1 1 65 GLU O O -7.312 -15.188 -5.949 1.00 . A A . 65 GLU O 1 1 16 15680 1 1 65 GLU OE1 O -8.367 -13.350 -0.246 1.00 . A A . 65 GLU OE1 1 1 16 15681 1 1 65 GLU OE2 O -6.301 -13.703 -1.081 1.00 . A A . 65 GLU OE2 1 1 16 15682 1 1 66 ILE C C -10.793 -17.591 -6.040 1.00 . A A . 66 ILE C 1 1 16 15683 1 1 66 ILE CA C -9.386 -17.172 -5.685 1.00 . A A . 66 ILE CA 1 1 16 15684 1 1 66 ILE CB C -8.924 -18.061 -4.524 1.00 . A A . 66 ILE CB 1 1 16 15685 1 1 66 ILE CD1 C -9.436 -18.888 -2.147 1.00 . A A . 66 ILE CD1 1 1 16 15686 1 1 66 ILE CG1 C -9.704 -17.815 -3.207 1.00 . A A . 66 ILE CG1 1 1 16 15687 1 1 66 ILE CG2 C -7.402 -17.908 -4.343 1.00 . A A . 66 ILE CG2 1 1 16 15688 1 1 66 ILE H H -10.287 -15.394 -5.087 1.00 . A A . 66 ILE H 1 1 16 15689 1 1 66 ILE HA H -8.768 -17.345 -6.545 1.00 . A A . 66 ILE HA 1 1 16 15690 1 1 66 ILE HB H -9.097 -19.126 -4.808 1.00 . A A . 66 ILE HB 1 1 16 15691 1 1 66 ILE HD11 H -8.371 -18.884 -1.832 1.00 . A A . 66 ILE HD11 1 1 16 15692 1 1 66 ILE HD12 H -9.683 -19.896 -2.542 1.00 . A A . 66 ILE HD12 1 1 16 15693 1 1 66 ILE HD13 H -10.061 -18.703 -1.246 1.00 . A A . 66 ILE HD13 1 1 16 15694 1 1 66 ILE HG12 H -9.431 -16.822 -2.792 1.00 . A A . 66 ILE HG12 1 1 16 15695 1 1 66 ILE HG13 H -10.798 -17.807 -3.412 1.00 . A A . 66 ILE HG13 1 1 16 15696 1 1 66 ILE HG21 H -7.150 -16.896 -3.968 1.00 . A A . 66 ILE HG21 1 1 16 15697 1 1 66 ILE HG22 H -6.878 -18.063 -5.310 1.00 . A A . 66 ILE HG22 1 1 16 15698 1 1 66 ILE HG23 H -7.020 -18.653 -3.617 1.00 . A A . 66 ILE HG23 1 1 16 15699 1 1 66 ILE N N -9.426 -15.757 -5.418 1.00 . A A . 66 ILE N 1 1 16 15700 1 1 66 ILE O O -11.767 -16.877 -5.804 1.00 . A A . 66 ILE O 1 1 16 15701 1 1 67 GLU C C -11.854 -20.907 -7.060 1.00 . A A . 67 GLU C 1 1 16 15702 1 1 67 GLU CA C -12.187 -19.407 -6.934 1.00 . A A . 67 GLU CA 1 1 16 15703 1 1 67 GLU CB C -12.852 -18.883 -8.240 1.00 . A A . 67 GLU CB 1 1 16 15704 1 1 67 GLU CD C -10.773 -18.073 -9.584 1.00 . A A . 67 GLU CD 1 1 16 15705 1 1 67 GLU CG C -11.998 -18.992 -9.533 1.00 . A A . 67 GLU CG 1 1 16 15706 1 1 67 GLU H H -10.189 -19.445 -6.796 1.00 . A A . 67 GLU H 1 1 16 15707 1 1 67 GLU HA H -12.856 -19.295 -6.091 1.00 . A A . 67 GLU HA 1 1 16 15708 1 1 67 GLU HB2 H -13.778 -19.485 -8.396 1.00 . A A . 67 GLU HB2 1 1 16 15709 1 1 67 GLU HB3 H -13.182 -17.837 -8.075 1.00 . A A . 67 GLU HB3 1 1 16 15710 1 1 67 GLU HE2 H -11.999 -16.632 -9.074 1.00 . A A . 67 GLU HE2 1 1 16 15711 1 1 67 GLU HG2 H -11.633 -20.038 -9.639 1.00 . A A . 67 GLU HG2 1 1 16 15712 1 1 67 GLU HG3 H -12.631 -18.758 -10.415 1.00 . A A . 67 GLU HG3 1 1 16 15713 1 1 67 GLU N N -10.933 -18.789 -6.621 1.00 . A A . 67 GLU N 1 1 16 15714 1 1 67 GLU O O -12.808 -21.719 -7.156 1.00 . A A . 67 GLU O 1 1 16 15715 1 1 67 GLU OXT O -10.634 -21.242 -7.050 1.00 . A A . 67 GLU OXT 1 1 16 15716 1 1 67 GLU OE1 O -9.637 -18.420 -9.841 1.00 . A A . 67 GLU OE1 1 1 16 15717 1 1 67 GLU OE2 O -11.094 -16.753 -9.352 1.00 . A A . 67 GLU OE2 1 1 16 15718 2 2 1 CL CL CL -2.105 9.931 11.792 1.00 . B A . 68 CL CL 1 1 16 15719 3 2 1 CL CL CL 0.352 9.651 -7.210 1.00 . C A . 69 CL CL 1 1 16 15720 4 2 1 CL CL CL -11.720 -8.865 -7.685 1.00 . D A . 70 CL CL 1 1 16 15721 5 2 1 CL CL CL -8.922 -4.087 -4.155 1.00 . E A . 71 CL CL 1 1 16 15722 6 2 1 CL CL CL 1.553 -13.024 5.105 1.00 . F A . 72 CL CL 1 1 16 15723 7 2 1 CL CL CL 10.744 8.564 -3.473 1.00 . G A . 73 CL CL 1 1 16 15724 8 2 1 CL CL CL -6.199 -3.730 6.462 1.00 . H A . 74 CL CL 1 1 16 15725 9 2 1 CL CL CL 3.898 -2.416 2.135 1.00 . I A . 75 CL CL 1 1 16 15726 10 2 1 CL CL CL 12.133 3.800 -12.386 1.00 . J A . 76 CL CL 1 1 16 15727 11 2 1 CL CL CL -4.403 -14.861 -3.423 1.00 . K A . 77 CL CL 1 1 16 15728 12 2 1 CL CL CL -5.950 9.899 0.575 1.00 . L A . 78 CL CL 1 1 17 15729 1 1 1 GLY C C -7.292 -17.709 5.301 1.00 . A A . 1 GLY C 1 1 17 15730 1 1 1 GLY CA C -6.508 -18.930 5.663 1.00 . A A . 1 GLY CA 1 1 17 15731 1 1 1 GLY H1 H -6.324 -20.884 4.973 1.00 . A A . 1 GLY H1 1 1 17 15732 1 1 1 GLY H2 H -6.226 -19.704 3.759 1.00 . A A . 1 GLY H2 1 1 17 15733 1 1 1 GLY H3 H -7.728 -20.091 4.442 1.00 . A A . 1 GLY H3 1 1 17 15734 1 1 1 GLY HA2 H -6.883 -19.333 6.591 1.00 . A A . 1 GLY HA2 1 1 17 15735 1 1 1 GLY HA3 H -5.454 -18.694 5.669 1.00 . A A . 1 GLY HA3 1 1 17 15736 1 1 1 GLY N N -6.710 -19.977 4.639 1.00 . A A . 1 GLY N 1 1 17 15737 1 1 1 GLY O O -7.439 -17.324 4.144 1.00 . A A . 1 GLY O 1 1 17 15738 1 1 2 ASP C C -8.734 -14.952 7.295 1.00 . A A . 2 ASP C 1 1 17 15739 1 1 2 ASP CA C -8.656 -15.842 6.061 1.00 . A A . 2 ASP CA 1 1 17 15740 1 1 2 ASP CB C -10.073 -16.270 5.600 1.00 . A A . 2 ASP CB 1 1 17 15741 1 1 2 ASP CG C -10.448 -15.597 4.298 1.00 . A A . 2 ASP CG 1 1 17 15742 1 1 2 ASP H H -7.696 -17.339 7.236 1.00 . A A . 2 ASP H 1 1 17 15743 1 1 2 ASP HA H -8.144 -15.237 5.328 1.00 . A A . 2 ASP HA 1 1 17 15744 1 1 2 ASP HB2 H -10.110 -17.370 5.451 1.00 . A A . 2 ASP HB2 1 1 17 15745 1 1 2 ASP HB3 H -10.844 -16.016 6.354 1.00 . A A . 2 ASP HB3 1 1 17 15746 1 1 2 ASP HD2 H -9.037 -16.693 3.494 1.00 . A A . 2 ASP HD2 1 1 17 15747 1 1 2 ASP N N -7.845 -17.017 6.298 1.00 . A A . 2 ASP N 1 1 17 15748 1 1 2 ASP O O -9.429 -13.941 7.317 1.00 . A A . 2 ASP O 1 1 17 15749 1 1 2 ASP OD1 O -11.309 -14.749 4.158 1.00 . A A . 2 ASP OD1 1 1 17 15750 1 1 2 ASP OD2 O -9.740 -16.087 3.226 1.00 . A A . 2 ASP OD2 1 1 17 15751 1 1 3 ASP C C -6.343 -14.411 9.814 1.00 . A A . 3 ASP C 1 1 17 15752 1 1 3 ASP CA C -7.836 -14.527 9.558 1.00 . A A . 3 ASP CA 1 1 17 15753 1 1 3 ASP CB C -8.578 -15.238 10.714 1.00 . A A . 3 ASP CB 1 1 17 15754 1 1 3 ASP CG C -8.720 -14.324 11.913 1.00 . A A . 3 ASP CG 1 1 17 15755 1 1 3 ASP H H -7.402 -16.109 8.326 1.00 . A A . 3 ASP H 1 1 17 15756 1 1 3 ASP HA H -8.211 -13.523 9.402 1.00 . A A . 3 ASP HA 1 1 17 15757 1 1 3 ASP HB2 H -9.607 -15.464 10.362 1.00 . A A . 3 ASP HB2 1 1 17 15758 1 1 3 ASP HB3 H -8.088 -16.192 10.990 1.00 . A A . 3 ASP HB3 1 1 17 15759 1 1 3 ASP HD2 H -6.998 -15.027 12.517 1.00 . A A . 3 ASP HD2 1 1 17 15760 1 1 3 ASP N N -7.982 -15.289 8.349 1.00 . A A . 3 ASP N 1 1 17 15761 1 1 3 ASP O O -5.815 -14.801 10.853 1.00 . A A . 3 ASP O 1 1 17 15762 1 1 3 ASP OD1 O -9.586 -13.484 12.053 1.00 . A A . 3 ASP OD1 1 1 17 15763 1 1 3 ASP OD2 O -7.722 -14.483 12.846 1.00 . A A . 3 ASP OD2 1 1 17 15764 1 1 4 VAL C C -4.053 -12.125 8.831 1.00 . A A . 4 VAL C 1 1 17 15765 1 1 4 VAL CA C -4.214 -13.631 8.823 1.00 . A A . 4 VAL CA 1 1 17 15766 1 1 4 VAL CB C -3.539 -14.238 7.594 1.00 . A A . 4 VAL CB 1 1 17 15767 1 1 4 VAL CG1 C -2.010 -14.175 7.730 1.00 . A A . 4 VAL CG1 1 1 17 15768 1 1 4 VAL CG2 C -3.965 -15.712 7.427 1.00 . A A . 4 VAL CG2 1 1 17 15769 1 1 4 VAL H H -6.134 -13.553 8.020 1.00 . A A . 4 VAL H 1 1 17 15770 1 1 4 VAL HA H -3.767 -14.025 9.721 1.00 . A A . 4 VAL HA 1 1 17 15771 1 1 4 VAL HB H -3.839 -13.668 6.685 1.00 . A A . 4 VAL HB 1 1 17 15772 1 1 4 VAL HG11 H -1.524 -14.676 6.867 1.00 . A A . 4 VAL HG11 1 1 17 15773 1 1 4 VAL HG12 H -1.691 -14.692 8.655 1.00 . A A . 4 VAL HG12 1 1 17 15774 1 1 4 VAL HG13 H -1.635 -13.135 7.768 1.00 . A A . 4 VAL HG13 1 1 17 15775 1 1 4 VAL HG21 H -3.387 -16.184 6.603 1.00 . A A . 4 VAL HG21 1 1 17 15776 1 1 4 VAL HG22 H -5.042 -15.805 7.182 1.00 . A A . 4 VAL HG22 1 1 17 15777 1 1 4 VAL HG23 H -3.762 -16.283 8.359 1.00 . A A . 4 VAL HG23 1 1 17 15778 1 1 4 VAL N N -5.641 -13.873 8.818 1.00 . A A . 4 VAL N 1 1 17 15779 1 1 4 VAL O O -4.826 -11.423 8.187 1.00 . A A . 4 VAL O 1 1 17 15780 1 1 5 LYS C C -1.865 -9.550 8.851 1.00 . A A . 5 LYS C 1 1 17 15781 1 1 5 LYS CA C -2.932 -10.139 9.749 1.00 . A A . 5 LYS CA 1 1 17 15782 1 1 5 LYS CB C -2.591 -9.828 11.217 1.00 . A A . 5 LYS CB 1 1 17 15783 1 1 5 LYS CD C -3.470 -9.588 13.571 1.00 . A A . 5 LYS CD 1 1 17 15784 1 1 5 LYS CE C -4.675 -9.654 14.509 1.00 . A A . 5 LYS CE 1 1 17 15785 1 1 5 LYS CG C -3.771 -10.091 12.157 1.00 . A A . 5 LYS CG 1 1 17 15786 1 1 5 LYS H H -2.419 -12.135 10.070 1.00 . A A . 5 LYS H 1 1 17 15787 1 1 5 LYS HA H -3.850 -9.647 9.479 1.00 . A A . 5 LYS HA 1 1 17 15788 1 1 5 LYS HB2 H -1.714 -10.434 11.526 1.00 . A A . 5 LYS HB2 1 1 17 15789 1 1 5 LYS HB3 H -2.303 -8.761 11.321 1.00 . A A . 5 LYS HB3 1 1 17 15790 1 1 5 LYS HD2 H -2.636 -10.188 13.998 1.00 . A A . 5 LYS HD2 1 1 17 15791 1 1 5 LYS HD3 H -3.129 -8.529 13.504 1.00 . A A . 5 LYS HD3 1 1 17 15792 1 1 5 LYS HE2 H -5.524 -9.067 14.097 1.00 . A A . 5 LYS HE2 1 1 17 15793 1 1 5 LYS HE3 H -4.998 -10.704 14.674 1.00 . A A . 5 LYS HE3 1 1 17 15794 1 1 5 LYS HG2 H -4.665 -9.560 11.757 1.00 . A A . 5 LYS HG2 1 1 17 15795 1 1 5 LYS HG3 H -4.010 -11.176 12.175 1.00 . A A . 5 LYS HG3 1 1 17 15796 1 1 5 LYS HZ1 H -4.020 -8.083 15.686 1.00 . A A . 5 LYS HZ1 1 1 17 15797 1 1 5 LYS HZ2 H -3.538 -9.616 16.239 1.00 . A A . 5 LYS HZ2 1 1 17 15798 1 1 5 LYS HZ3 H -5.144 -9.104 16.446 1.00 . A A . 5 LYS HZ3 1 1 17 15799 1 1 5 LYS N N -3.077 -11.575 9.575 1.00 . A A . 5 LYS N 1 1 17 15800 1 1 5 LYS NZ N -4.317 -9.072 15.816 1.00 . A A . 5 LYS NZ 1 1 17 15801 1 1 5 LYS O O -1.321 -8.467 9.081 1.00 . A A . 5 LYS O 1 1 17 15802 1 1 6 SER C C -1.192 -8.543 6.019 1.00 . A A . 6 SER C 1 1 17 15803 1 1 6 SER CA C -0.701 -9.810 6.685 1.00 . A A . 6 SER CA 1 1 17 15804 1 1 6 SER CB C -0.503 -10.838 5.546 1.00 . A A . 6 SER CB 1 1 17 15805 1 1 6 SER H H -2.002 -11.145 7.673 1.00 . A A . 6 SER H 1 1 17 15806 1 1 6 SER HA H 0.271 -9.608 7.107 1.00 . A A . 6 SER HA 1 1 17 15807 1 1 6 SER HB2 H -1.485 -11.054 5.064 1.00 . A A . 6 SER HB2 1 1 17 15808 1 1 6 SER HB3 H 0.181 -10.408 4.777 1.00 . A A . 6 SER HB3 1 1 17 15809 1 1 6 SER HG H 0.572 -12.457 5.344 1.00 . A A . 6 SER HG 1 1 17 15810 1 1 6 SER N N -1.552 -10.267 7.770 1.00 . A A . 6 SER N 1 1 17 15811 1 1 6 SER O O -2.335 -8.445 5.585 1.00 . A A . 6 SER O 1 1 17 15812 1 1 6 SER OG O 0.054 -12.053 6.051 1.00 . A A . 6 SER OG 1 1 17 15813 1 1 7 ALA C C -0.579 -6.829 3.548 1.00 . A A . 7 ALA C 1 1 17 15814 1 1 7 ALA CA C -0.577 -6.409 5.013 1.00 . A A . 7 ALA CA 1 1 17 15815 1 1 7 ALA CB C 0.464 -5.295 5.246 1.00 . A A . 7 ALA CB 1 1 17 15816 1 1 7 ALA H H 0.578 -7.575 6.316 1.00 . A A . 7 ALA H 1 1 17 15817 1 1 7 ALA HA H -1.568 -6.033 5.230 1.00 . A A . 7 ALA HA 1 1 17 15818 1 1 7 ALA HB1 H 1.489 -5.668 5.023 1.00 . A A . 7 ALA HB1 1 1 17 15819 1 1 7 ALA HB2 H 0.437 -4.974 6.309 1.00 . A A . 7 ALA HB2 1 1 17 15820 1 1 7 ALA HB3 H 0.270 -4.409 4.607 1.00 . A A . 7 ALA HB3 1 1 17 15821 1 1 7 ALA N N -0.314 -7.537 5.874 1.00 . A A . 7 ALA N 1 1 17 15822 1 1 7 ALA O O -0.049 -7.871 3.168 1.00 . A A . 7 ALA O 1 1 17 15823 1 1 8 CYS C C -1.049 -5.170 0.419 1.00 . A A . 8 CYS C 1 1 17 15824 1 1 8 CYS CA C -1.353 -6.368 1.290 1.00 . A A . 8 CYS CA 1 1 17 15825 1 1 8 CYS CB C -2.764 -6.944 1.002 1.00 . A A . 8 CYS CB 1 1 17 15826 1 1 8 CYS H H -1.693 -5.219 3.009 1.00 . A A . 8 CYS H 1 1 17 15827 1 1 8 CYS HA H -0.628 -7.119 1.013 1.00 . A A . 8 CYS HA 1 1 17 15828 1 1 8 CYS HB2 H -2.804 -7.309 -0.046 1.00 . A A . 8 CYS HB2 1 1 17 15829 1 1 8 CYS HB3 H -2.890 -7.831 1.663 1.00 . A A . 8 CYS HB3 1 1 17 15830 1 1 8 CYS N N -1.222 -6.031 2.689 1.00 . A A . 8 CYS N 1 1 17 15831 1 1 8 CYS O O -1.056 -4.026 0.871 1.00 . A A . 8 CYS O 1 1 17 15832 1 1 8 CYS SG S -4.126 -5.776 1.327 1.00 . A A . 8 CYS SG 1 1 17 15833 1 1 9 CYS C C -0.795 -4.861 -3.196 1.00 . A A . 9 CYS C 1 1 17 15834 1 1 9 CYS CA C -0.546 -4.312 -1.805 1.00 . A A . 9 CYS CA 1 1 17 15835 1 1 9 CYS CB C 0.902 -3.759 -1.717 1.00 . A A . 9 CYS CB 1 1 17 15836 1 1 9 CYS H H -0.682 -6.329 -1.230 1.00 . A A . 9 CYS H 1 1 17 15837 1 1 9 CYS HA H -1.267 -3.530 -1.608 1.00 . A A . 9 CYS HA 1 1 17 15838 1 1 9 CYS HB2 H 1.048 -3.343 -0.696 1.00 . A A . 9 CYS HB2 1 1 17 15839 1 1 9 CYS HB3 H 1.589 -4.633 -1.814 1.00 . A A . 9 CYS HB3 1 1 17 15840 1 1 9 CYS N N -0.752 -5.391 -0.869 1.00 . A A . 9 CYS N 1 1 17 15841 1 1 9 CYS O O -0.314 -5.928 -3.557 1.00 . A A . 9 CYS O 1 1 17 15842 1 1 9 CYS SG S 1.313 -2.497 -2.977 1.00 . A A . 9 CYS SG 1 1 17 15843 1 1 10 ASP C C -0.874 -4.108 -6.433 1.00 . A A . 10 ASP C 1 1 17 15844 1 1 10 ASP CA C -1.857 -4.601 -5.380 1.00 . A A . 10 ASP CA 1 1 17 15845 1 1 10 ASP CB C -3.261 -4.097 -5.751 1.00 . A A . 10 ASP CB 1 1 17 15846 1 1 10 ASP CG C -4.323 -5.004 -5.175 1.00 . A A . 10 ASP CG 1 1 17 15847 1 1 10 ASP H H -2.039 -3.333 -3.729 1.00 . A A . 10 ASP H 1 1 17 15848 1 1 10 ASP HA H -1.831 -5.683 -5.431 1.00 . A A . 10 ASP HA 1 1 17 15849 1 1 10 ASP HB2 H -3.400 -3.078 -5.373 1.00 . A A . 10 ASP HB2 1 1 17 15850 1 1 10 ASP HB3 H -3.397 -4.041 -6.841 1.00 . A A . 10 ASP HB3 1 1 17 15851 1 1 10 ASP HD2 H -6.064 -5.698 -5.581 1.00 . A A . 10 ASP HD2 1 1 17 15852 1 1 10 ASP N N -1.560 -4.146 -4.037 1.00 . A A . 10 ASP N 1 1 17 15853 1 1 10 ASP O O -0.815 -4.633 -7.538 1.00 . A A . 10 ASP O 1 1 17 15854 1 1 10 ASP OD1 O -4.234 -5.641 -4.142 1.00 . A A . 10 ASP OD1 1 1 17 15855 1 1 10 ASP OD2 O -5.439 -5.054 -5.953 1.00 . A A . 10 ASP OD2 1 1 17 15856 1 1 11 THR C C 1.928 -1.769 -6.306 1.00 . A A . 11 THR C 1 1 17 15857 1 1 11 THR CA C 0.901 -2.544 -7.087 1.00 . A A . 11 THR CA 1 1 17 15858 1 1 11 THR CB C 0.316 -1.637 -8.158 1.00 . A A . 11 THR CB 1 1 17 15859 1 1 11 THR CG2 C 1.416 -0.998 -9.014 1.00 . A A . 11 THR CG2 1 1 17 15860 1 1 11 THR H H -0.155 -2.629 -5.262 1.00 . A A . 11 THR H 1 1 17 15861 1 1 11 THR HA H 1.433 -3.361 -7.556 1.00 . A A . 11 THR HA 1 1 17 15862 1 1 11 THR HB H -0.308 -0.851 -7.671 1.00 . A A . 11 THR HB 1 1 17 15863 1 1 11 THR HG1 H -0.814 -3.157 -8.563 1.00 . A A . 11 THR HG1 1 1 17 15864 1 1 11 THR HG21 H 0.962 -0.438 -9.859 1.00 . A A . 11 THR HG21 1 1 17 15865 1 1 11 THR HG22 H 2.080 -1.789 -9.425 1.00 . A A . 11 THR HG22 1 1 17 15866 1 1 11 THR HG23 H 2.035 -0.284 -8.436 1.00 . A A . 11 THR HG23 1 1 17 15867 1 1 11 THR N N -0.081 -3.071 -6.144 1.00 . A A . 11 THR N 1 1 17 15868 1 1 11 THR O O 1.707 -0.655 -5.815 1.00 . A A . 11 THR O 1 1 17 15869 1 1 11 THR OG1 O -0.489 -2.381 -9.061 1.00 . A A . 11 THR OG1 1 1 17 15870 1 1 12 CYS C C 5.045 -1.000 -6.500 1.00 . A A . 12 CYS C 1 1 17 15871 1 1 12 CYS CA C 4.269 -1.840 -5.513 1.00 . A A . 12 CYS CA 1 1 17 15872 1 1 12 CYS CB C 5.196 -2.945 -4.955 1.00 . A A . 12 CYS CB 1 1 17 15873 1 1 12 CYS H H 3.224 -3.318 -6.541 1.00 . A A . 12 CYS H 1 1 17 15874 1 1 12 CYS HA H 3.956 -1.184 -4.712 1.00 . A A . 12 CYS HA 1 1 17 15875 1 1 12 CYS HB2 H 5.438 -3.644 -5.795 1.00 . A A . 12 CYS HB2 1 1 17 15876 1 1 12 CYS HB3 H 6.137 -2.492 -4.564 1.00 . A A . 12 CYS HB3 1 1 17 15877 1 1 12 CYS N N 3.095 -2.407 -6.132 1.00 . A A . 12 CYS N 1 1 17 15878 1 1 12 CYS O O 5.669 -1.521 -7.420 1.00 . A A . 12 CYS O 1 1 17 15879 1 1 12 CYS SG S 4.386 -3.883 -3.623 1.00 . A A . 12 CYS SG 1 1 17 15880 1 1 13 LEU C C 7.262 1.240 -6.380 1.00 . A A . 13 LEU C 1 1 17 15881 1 1 13 LEU CA C 5.924 1.200 -7.073 1.00 . A A . 13 LEU CA 1 1 17 15882 1 1 13 LEU CB C 5.292 2.595 -7.225 1.00 . A A . 13 LEU CB 1 1 17 15883 1 1 13 LEU CD1 C 5.156 4.667 -8.618 1.00 . A A . 13 LEU CD1 1 1 17 15884 1 1 13 LEU CD2 C 7.025 4.486 -6.977 1.00 . A A . 13 LEU CD2 1 1 17 15885 1 1 13 LEU CG C 6.118 3.690 -7.929 1.00 . A A . 13 LEU CG 1 1 17 15886 1 1 13 LEU H H 4.608 0.756 -5.534 1.00 . A A . 13 LEU H 1 1 17 15887 1 1 13 LEU HA H 6.089 0.809 -8.067 1.00 . A A . 13 LEU HA 1 1 17 15888 1 1 13 LEU HB2 H 4.398 2.415 -7.861 1.00 . A A . 13 LEU HB2 1 1 17 15889 1 1 13 LEU HB3 H 4.940 2.967 -6.240 1.00 . A A . 13 LEU HB3 1 1 17 15890 1 1 13 LEU HD11 H 4.529 5.188 -7.863 1.00 . A A . 13 LEU HD11 1 1 17 15891 1 1 13 LEU HD12 H 4.484 4.122 -9.316 1.00 . A A . 13 LEU HD12 1 1 17 15892 1 1 13 LEU HD13 H 5.724 5.425 -9.192 1.00 . A A . 13 LEU HD13 1 1 17 15893 1 1 13 LEU HD21 H 6.414 4.950 -6.175 1.00 . A A . 13 LEU HD21 1 1 17 15894 1 1 13 LEU HD22 H 7.543 5.295 -7.535 1.00 . A A . 13 LEU HD22 1 1 17 15895 1 1 13 LEU HD23 H 7.793 3.842 -6.509 1.00 . A A . 13 LEU HD23 1 1 17 15896 1 1 13 LEU HG H 6.744 3.214 -8.722 1.00 . A A . 13 LEU HG 1 1 17 15897 1 1 13 LEU N N 5.050 0.327 -6.328 1.00 . A A . 13 LEU N 1 1 17 15898 1 1 13 LEU O O 7.390 1.607 -5.209 1.00 . A A . 13 LEU O 1 1 17 15899 1 1 14 CYS C C 10.303 2.178 -7.178 1.00 . A A . 14 CYS C 1 1 17 15900 1 1 14 CYS CA C 9.663 0.928 -6.647 1.00 . A A . 14 CYS CA 1 1 17 15901 1 1 14 CYS CB C 10.493 -0.331 -6.927 1.00 . A A . 14 CYS CB 1 1 17 15902 1 1 14 CYS H H 8.157 0.441 -8.015 1.00 . A A . 14 CYS H 1 1 17 15903 1 1 14 CYS HA H 9.669 1.055 -5.587 1.00 . A A . 14 CYS HA 1 1 17 15904 1 1 14 CYS HB2 H 10.454 -0.572 -8.007 1.00 . A A . 14 CYS HB2 1 1 17 15905 1 1 14 CYS HB3 H 11.555 -0.142 -6.679 1.00 . A A . 14 CYS HB3 1 1 17 15906 1 1 14 CYS N N 8.302 0.803 -7.092 1.00 . A A . 14 CYS N 1 1 17 15907 1 1 14 CYS O O 10.220 2.507 -8.356 1.00 . A A . 14 CYS O 1 1 17 15908 1 1 14 CYS SG S 9.878 -1.732 -5.932 1.00 . A A . 14 CYS SG 1 1 17 15909 1 1 15 THR C C 12.886 4.063 -7.262 1.00 . A A . 15 THR C 1 1 17 15910 1 1 15 THR CA C 11.539 4.224 -6.618 1.00 . A A . 15 THR CA 1 1 17 15911 1 1 15 THR CB C 11.719 5.148 -5.420 1.00 . A A . 15 THR CB 1 1 17 15912 1 1 15 THR CG2 C 10.344 5.408 -4.797 1.00 . A A . 15 THR CG2 1 1 17 15913 1 1 15 THR H H 11.068 2.623 -5.338 1.00 . A A . 15 THR H 1 1 17 15914 1 1 15 THR HA H 10.896 4.742 -7.314 1.00 . A A . 15 THR HA 1 1 17 15915 1 1 15 THR HB H 12.154 6.113 -5.782 1.00 . A A . 15 THR HB 1 1 17 15916 1 1 15 THR HG1 H 12.455 5.185 -3.648 1.00 . A A . 15 THR HG1 1 1 17 15917 1 1 15 THR HG21 H 9.651 5.791 -5.576 1.00 . A A . 15 THR HG21 1 1 17 15918 1 1 15 THR HG22 H 10.414 6.164 -3.987 1.00 . A A . 15 THR HG22 1 1 17 15919 1 1 15 THR HG23 H 9.915 4.477 -4.372 1.00 . A A . 15 THR HG23 1 1 17 15920 1 1 15 THR N N 10.952 2.939 -6.290 1.00 . A A . 15 THR N 1 1 17 15921 1 1 15 THR O O 13.655 3.160 -6.943 1.00 . A A . 15 THR O 1 1 17 15922 1 1 15 THR OG1 O 12.549 4.588 -4.402 1.00 . A A . 15 THR OG1 1 1 17 15923 1 1 16 ARG C C 15.459 5.968 -7.727 1.00 . A A . 16 ARG C 1 1 17 15924 1 1 16 ARG CA C 14.613 5.107 -8.654 1.00 . A A . 16 ARG CA 1 1 17 15925 1 1 16 ARG CB C 14.692 5.550 -10.127 1.00 . A A . 16 ARG CB 1 1 17 15926 1 1 16 ARG CD C 14.218 4.607 -12.471 1.00 . A A . 16 ARG CD 1 1 17 15927 1 1 16 ARG CG C 13.726 4.768 -11.032 1.00 . A A . 16 ARG CG 1 1 17 15928 1 1 16 ARG CZ C 15.683 2.952 -13.663 1.00 . A A . 16 ARG CZ 1 1 17 15929 1 1 16 ARG H H 12.614 5.683 -8.462 1.00 . A A . 16 ARG H 1 1 17 15930 1 1 16 ARG HA H 15.077 4.138 -8.631 1.00 . A A . 16 ARG HA 1 1 17 15931 1 1 16 ARG HB2 H 14.477 6.633 -10.230 1.00 . A A . 16 ARG HB2 1 1 17 15932 1 1 16 ARG HB3 H 15.728 5.376 -10.489 1.00 . A A . 16 ARG HB3 1 1 17 15933 1 1 16 ARG HD2 H 13.365 4.355 -13.135 1.00 . A A . 16 ARG HD2 1 1 17 15934 1 1 16 ARG HD3 H 14.719 5.524 -12.839 1.00 . A A . 16 ARG HD3 1 1 17 15935 1 1 16 ARG HE H 15.396 2.995 -11.641 1.00 . A A . 16 ARG HE 1 1 17 15936 1 1 16 ARG HG2 H 13.550 3.758 -10.601 1.00 . A A . 16 ARG HG2 1 1 17 15937 1 1 16 ARG HG3 H 12.748 5.301 -11.048 1.00 . A A . 16 ARG HG3 1 1 17 15938 1 1 16 ARG HH11 H 14.916 4.408 -14.886 1.00 . A A . 16 ARG HH11 1 1 17 15939 1 1 16 ARG HH12 H 15.823 3.171 -15.696 1.00 . A A . 16 ARG HH12 1 1 17 15940 1 1 16 ARG HH21 H 16.554 1.322 -12.766 1.00 . A A . 16 ARG HH21 1 1 17 15941 1 1 16 ARG HH22 H 16.763 1.409 -14.484 1.00 . A A . 16 ARG HH22 1 1 17 15942 1 1 16 ARG N N 13.243 4.960 -8.192 1.00 . A A . 16 ARG N 1 1 17 15943 1 1 16 ARG NE N 15.189 3.466 -12.499 1.00 . A A . 16 ARG NE 1 1 17 15944 1 1 16 ARG NH1 N 15.463 3.571 -14.854 1.00 . A A . 16 ARG NH1 1 1 17 15945 1 1 16 ARG NH2 N 16.402 1.794 -13.634 1.00 . A A . 16 ARG NH2 1 1 17 15946 1 1 16 ARG O O 16.321 6.730 -8.155 1.00 . A A . 16 ARG O 1 1 17 15947 1 1 17 SER C C 17.424 6.039 -5.244 1.00 . A A . 17 SER C 1 1 17 15948 1 1 17 SER CA C 15.984 6.537 -5.356 1.00 . A A . 17 SER CA 1 1 17 15949 1 1 17 SER CB C 15.260 6.514 -3.986 1.00 . A A . 17 SER CB 1 1 17 15950 1 1 17 SER H H 14.478 5.263 -6.149 1.00 . A A . 17 SER H 1 1 17 15951 1 1 17 SER HA H 16.066 7.575 -5.630 1.00 . A A . 17 SER HA 1 1 17 15952 1 1 17 SER HB2 H 14.167 6.624 -4.150 1.00 . A A . 17 SER HB2 1 1 17 15953 1 1 17 SER HB3 H 15.425 5.552 -3.454 1.00 . A A . 17 SER HB3 1 1 17 15954 1 1 17 SER HG H 15.168 7.453 -2.309 1.00 . A A . 17 SER HG 1 1 17 15955 1 1 17 SER N N 15.200 5.897 -6.412 1.00 . A A . 17 SER N 1 1 17 15956 1 1 17 SER O O 17.980 5.433 -6.159 1.00 . A A . 17 SER O 1 1 17 15957 1 1 17 SER OG O 15.633 7.613 -3.160 1.00 . A A . 17 SER OG 1 1 17 15958 1 1 18 GLN C C 19.552 5.708 -2.286 1.00 . A A . 18 GLN C 1 1 17 15959 1 1 18 GLN CA C 19.422 5.879 -3.803 1.00 . A A . 18 GLN CA 1 1 17 15960 1 1 18 GLN CB C 20.447 6.982 -4.188 1.00 . A A . 18 GLN CB 1 1 17 15961 1 1 18 GLN CD C 19.634 8.332 -6.199 1.00 . A A . 18 GLN CD 1 1 17 15962 1 1 18 GLN CG C 20.614 7.270 -5.703 1.00 . A A . 18 GLN CG 1 1 17 15963 1 1 18 GLN H H 17.580 6.783 -3.384 1.00 . A A . 18 GLN H 1 1 17 15964 1 1 18 GLN HA H 19.668 4.961 -4.309 1.00 . A A . 18 GLN HA 1 1 17 15965 1 1 18 GLN HB2 H 20.171 7.916 -3.650 1.00 . A A . 18 GLN HB2 1 1 17 15966 1 1 18 GLN HB3 H 21.448 6.664 -3.812 1.00 . A A . 18 GLN HB3 1 1 17 15967 1 1 18 GLN HE21 H 19.362 7.358 -7.961 1.00 . A A . 18 GLN HE21 1 1 17 15968 1 1 18 GLN HE22 H 18.444 8.842 -7.737 1.00 . A A . 18 GLN HE22 1 1 17 15969 1 1 18 GLN HG2 H 21.635 7.671 -5.881 1.00 . A A . 18 GLN HG2 1 1 17 15970 1 1 18 GLN HG3 H 20.498 6.334 -6.286 1.00 . A A . 18 GLN HG3 1 1 17 15971 1 1 18 GLN N N 18.052 6.245 -4.080 1.00 . A A . 18 GLN N 1 1 17 15972 1 1 18 GLN NE2 N 19.130 8.178 -7.438 1.00 . A A . 18 GLN NE2 1 1 17 15973 1 1 18 GLN O O 19.602 6.705 -1.561 1.00 . A A . 18 GLN O 1 1 17 15974 1 1 18 GLN OE1 O 19.337 9.305 -5.499 1.00 . A A . 18 GLN OE1 1 1 17 15975 1 1 19 PRO C C 17.773 3.182 -2.784 1.00 . A A . 19 PRO C 1 1 17 15976 1 1 19 PRO CA C 19.257 3.238 -2.420 1.00 . A A . 19 PRO CA 1 1 17 15977 1 1 19 PRO CB C 19.630 2.184 -1.366 1.00 . A A . 19 PRO CB 1 1 17 15978 1 1 19 PRO CD C 19.691 4.328 -0.293 1.00 . A A . 19 PRO CD 1 1 17 15979 1 1 19 PRO CG C 19.318 2.866 -0.035 1.00 . A A . 19 PRO CG 1 1 17 15980 1 1 19 PRO HA H 19.840 3.140 -3.320 1.00 . A A . 19 PRO HA 1 1 17 15981 1 1 19 PRO HB2 H 19.073 1.228 -1.491 1.00 . A A . 19 PRO HB2 1 1 17 15982 1 1 19 PRO HB3 H 20.731 2.000 -1.426 1.00 . A A . 19 PRO HB3 1 1 17 15983 1 1 19 PRO HD2 H 19.001 5.017 0.245 1.00 . A A . 19 PRO HD2 1 1 17 15984 1 1 19 PRO HD3 H 20.740 4.529 0.011 1.00 . A A . 19 PRO HD3 1 1 17 15985 1 1 19 PRO HG2 H 18.228 2.791 0.179 1.00 . A A . 19 PRO HG2 1 1 17 15986 1 1 19 PRO HG3 H 19.891 2.421 0.802 1.00 . A A . 19 PRO HG3 1 1 17 15987 1 1 19 PRO N N 19.584 4.493 -1.744 1.00 . A A . 19 PRO N 1 1 17 15988 1 1 19 PRO O O 16.994 3.944 -2.209 1.00 . A A . 19 PRO O 1 1 17 15989 1 1 20 PRO C C 15.061 1.678 -3.090 1.00 . A A . 20 PRO C 1 1 17 15990 1 1 20 PRO CA C 15.924 2.358 -4.128 1.00 . A A . 20 PRO CA 1 1 17 15991 1 1 20 PRO CB C 15.949 1.568 -5.438 1.00 . A A . 20 PRO CB 1 1 17 15992 1 1 20 PRO CD C 18.145 1.442 -4.504 1.00 . A A . 20 PRO CD 1 1 17 15993 1 1 20 PRO CG C 17.125 0.608 -5.276 1.00 . A A . 20 PRO CG 1 1 17 15994 1 1 20 PRO HA H 15.537 3.356 -4.254 1.00 . A A . 20 PRO HA 1 1 17 15995 1 1 20 PRO HB2 H 14.996 1.048 -5.657 1.00 . A A . 20 PRO HB2 1 1 17 15996 1 1 20 PRO HB3 H 16.178 2.270 -6.270 1.00 . A A . 20 PRO HB3 1 1 17 15997 1 1 20 PRO HD2 H 18.757 0.801 -3.829 1.00 . A A . 20 PRO HD2 1 1 17 15998 1 1 20 PRO HD3 H 18.797 2.011 -5.205 1.00 . A A . 20 PRO HD3 1 1 17 15999 1 1 20 PRO HG2 H 16.808 -0.261 -4.656 1.00 . A A . 20 PRO HG2 1 1 17 16000 1 1 20 PRO HG3 H 17.514 0.252 -6.251 1.00 . A A . 20 PRO HG3 1 1 17 16001 1 1 20 PRO N N 17.326 2.387 -3.741 1.00 . A A . 20 PRO N 1 1 17 16002 1 1 20 PRO O O 15.548 0.899 -2.275 1.00 . A A . 20 PRO O 1 1 17 16003 1 1 21 THR C C 11.489 1.539 -2.587 1.00 . A A . 21 THR C 1 1 17 16004 1 1 21 THR CA C 12.880 1.508 -2.022 1.00 . A A . 21 THR CA 1 1 17 16005 1 1 21 THR CB C 13.036 2.352 -0.754 1.00 . A A . 21 THR CB 1 1 17 16006 1 1 21 THR CG2 C 12.345 3.720 -0.820 1.00 . A A . 21 THR CG2 1 1 17 16007 1 1 21 THR H H 13.369 2.572 -3.793 1.00 . A A . 21 THR H 1 1 17 16008 1 1 21 THR HA H 13.089 0.476 -1.787 1.00 . A A . 21 THR HA 1 1 17 16009 1 1 21 THR HB H 14.132 2.547 -0.651 1.00 . A A . 21 THR HB 1 1 17 16010 1 1 21 THR HG1 H 11.692 1.594 0.488 1.00 . A A . 21 THR HG1 1 1 17 16011 1 1 21 THR HG21 H 12.531 4.277 0.125 1.00 . A A . 21 THR HG21 1 1 17 16012 1 1 21 THR HG22 H 11.251 3.620 -0.958 1.00 . A A . 21 THR HG22 1 1 17 16013 1 1 21 THR HG23 H 12.756 4.330 -1.648 1.00 . A A . 21 THR HG23 1 1 17 16014 1 1 21 THR N N 13.755 1.956 -3.098 1.00 . A A . 21 THR N 1 1 17 16015 1 1 21 THR O O 11.300 1.976 -3.719 1.00 . A A . 21 THR O 1 1 17 16016 1 1 21 THR OG1 O 12.652 1.673 0.436 1.00 . A A . 21 THR OG1 1 1 17 16017 1 1 22 CYS C C 8.019 1.081 -1.696 1.00 . A A . 22 CYS C 1 1 17 16018 1 1 22 CYS CA C 9.197 0.816 -2.595 1.00 . A A . 22 CYS CA 1 1 17 16019 1 1 22 CYS CB C 9.058 -0.649 -3.128 1.00 . A A . 22 CYS CB 1 1 17 16020 1 1 22 CYS H H 10.551 0.659 -0.971 1.00 . A A . 22 CYS H 1 1 17 16021 1 1 22 CYS HA H 9.077 1.537 -3.391 1.00 . A A . 22 CYS HA 1 1 17 16022 1 1 22 CYS HB2 H 8.901 -1.315 -2.257 1.00 . A A . 22 CYS HB2 1 1 17 16023 1 1 22 CYS HB3 H 8.145 -0.744 -3.748 1.00 . A A . 22 CYS HB3 1 1 17 16024 1 1 22 CYS N N 10.452 1.040 -1.893 1.00 . A A . 22 CYS N 1 1 17 16025 1 1 22 CYS O O 8.137 1.207 -0.481 1.00 . A A . 22 CYS O 1 1 17 16026 1 1 22 CYS SG S 10.503 -1.311 -4.037 1.00 . A A . 22 CYS SG 1 1 17 16027 1 1 23 ARG C C 4.466 1.528 -2.558 1.00 . A A . 23 ARG C 1 1 17 16028 1 1 23 ARG CA C 5.637 1.640 -1.611 1.00 . A A . 23 ARG CA 1 1 17 16029 1 1 23 ARG CB C 5.766 3.059 -0.978 1.00 . A A . 23 ARG CB 1 1 17 16030 1 1 23 ARG CD C 5.589 4.820 -2.873 1.00 . A A . 23 ARG CD 1 1 17 16031 1 1 23 ARG CG C 6.470 4.143 -1.826 1.00 . A A . 23 ARG CG 1 1 17 16032 1 1 23 ARG CZ C 3.223 5.591 -2.544 1.00 . A A . 23 ARG CZ 1 1 17 16033 1 1 23 ARG H H 6.765 1.150 -3.299 1.00 . A A . 23 ARG H 1 1 17 16034 1 1 23 ARG HA H 5.422 0.928 -0.830 1.00 . A A . 23 ARG HA 1 1 17 16035 1 1 23 ARG HB2 H 4.791 3.434 -0.609 1.00 . A A . 23 ARG HB2 1 1 17 16036 1 1 23 ARG HB3 H 6.387 2.942 -0.065 1.00 . A A . 23 ARG HB3 1 1 17 16037 1 1 23 ARG HD2 H 6.145 5.607 -3.420 1.00 . A A . 23 ARG HD2 1 1 17 16038 1 1 23 ARG HD3 H 5.169 4.073 -3.575 1.00 . A A . 23 ARG HD3 1 1 17 16039 1 1 23 ARG HE H 4.635 5.567 -1.110 1.00 . A A . 23 ARG HE 1 1 17 16040 1 1 23 ARG HG2 H 6.798 4.932 -1.110 1.00 . A A . 23 ARG HG2 1 1 17 16041 1 1 23 ARG HG3 H 7.380 3.735 -2.312 1.00 . A A . 23 ARG HG3 1 1 17 16042 1 1 23 ARG HH11 H 3.644 5.394 -4.538 1.00 . A A . 23 ARG HH11 1 1 17 16043 1 1 23 ARG HH12 H 1.969 5.595 -4.161 1.00 . A A . 23 ARG HH12 1 1 17 16044 1 1 23 ARG HH21 H 2.561 5.839 -0.653 1.00 . A A . 23 ARG HH21 1 1 17 16045 1 1 23 ARG HH22 H 1.295 5.874 -1.860 1.00 . A A . 23 ARG HH22 1 1 17 16046 1 1 23 ARG N N 6.828 1.192 -2.296 1.00 . A A . 23 ARG N 1 1 17 16047 1 1 23 ARG NE N 4.502 5.471 -2.095 1.00 . A A . 23 ARG NE 1 1 17 16048 1 1 23 ARG NH1 N 2.913 5.474 -3.861 1.00 . A A . 23 ARG NH1 1 1 17 16049 1 1 23 ARG NH2 N 2.260 5.817 -1.609 1.00 . A A . 23 ARG NH2 1 1 17 16050 1 1 23 ARG O O 4.611 1.305 -3.755 1.00 . A A . 23 ARG O 1 1 17 16051 1 1 24 CYS C C 1.278 2.172 -3.364 1.00 . A A . 24 CYS C 1 1 17 16052 1 1 24 CYS CA C 2.080 1.050 -2.732 1.00 . A A . 24 CYS CA 1 1 17 16053 1 1 24 CYS CB C 1.148 0.238 -1.781 1.00 . A A . 24 CYS CB 1 1 17 16054 1 1 24 CYS H H 3.138 1.842 -1.069 1.00 . A A . 24 CYS H 1 1 17 16055 1 1 24 CYS HA H 2.403 0.400 -3.538 1.00 . A A . 24 CYS HA 1 1 17 16056 1 1 24 CYS HB2 H 1.786 -0.347 -1.083 1.00 . A A . 24 CYS HB2 1 1 17 16057 1 1 24 CYS HB3 H 0.538 0.928 -1.156 1.00 . A A . 24 CYS HB3 1 1 17 16058 1 1 24 CYS N N 3.245 1.545 -2.013 1.00 . A A . 24 CYS N 1 1 17 16059 1 1 24 CYS O O 0.725 3.013 -2.660 1.00 . A A . 24 CYS O 1 1 17 16060 1 1 24 CYS SG S 0.066 -0.937 -2.650 1.00 . A A . 24 CYS SG 1 1 17 16061 1 1 25 VAL C C -1.186 2.914 -5.062 1.00 . A A . 25 VAL C 1 1 17 16062 1 1 25 VAL CA C 0.270 3.141 -5.396 1.00 . A A . 25 VAL CA 1 1 17 16063 1 1 25 VAL CB C 0.463 3.274 -6.901 1.00 . A A . 25 VAL CB 1 1 17 16064 1 1 25 VAL CG1 C 1.892 3.767 -7.159 1.00 . A A . 25 VAL CG1 1 1 17 16065 1 1 25 VAL CG2 C 0.223 1.960 -7.653 1.00 . A A . 25 VAL CG2 1 1 17 16066 1 1 25 VAL H H 1.621 1.531 -5.297 1.00 . A A . 25 VAL H 1 1 17 16067 1 1 25 VAL HA H 0.482 4.115 -4.988 1.00 . A A . 25 VAL HA 1 1 17 16068 1 1 25 VAL HB H -0.239 4.047 -7.301 1.00 . A A . 25 VAL HB 1 1 17 16069 1 1 25 VAL HG11 H 2.081 3.832 -8.251 1.00 . A A . 25 VAL HG11 1 1 17 16070 1 1 25 VAL HG12 H 2.622 3.059 -6.716 1.00 . A A . 25 VAL HG12 1 1 17 16071 1 1 25 VAL HG13 H 2.051 4.777 -6.729 1.00 . A A . 25 VAL HG13 1 1 17 16072 1 1 25 VAL HG21 H 0.481 2.096 -8.728 1.00 . A A . 25 VAL HG21 1 1 17 16073 1 1 25 VAL HG22 H -0.838 1.651 -7.616 1.00 . A A . 25 VAL HG22 1 1 17 16074 1 1 25 VAL HG23 H 0.873 1.157 -7.254 1.00 . A A . 25 VAL HG23 1 1 17 16075 1 1 25 VAL N N 1.183 2.219 -4.715 1.00 . A A . 25 VAL N 1 1 17 16076 1 1 25 VAL O O -1.995 3.834 -5.013 1.00 . A A . 25 VAL O 1 1 17 16077 1 1 26 ASP C C -3.208 1.658 -2.988 1.00 . A A . 26 ASP C 1 1 17 16078 1 1 26 ASP CA C -2.911 1.304 -4.433 1.00 . A A . 26 ASP CA 1 1 17 16079 1 1 26 ASP CB C -3.281 -0.175 -4.699 1.00 . A A . 26 ASP CB 1 1 17 16080 1 1 26 ASP CG C -3.657 -0.433 -6.149 1.00 . A A . 26 ASP CG 1 1 17 16081 1 1 26 ASP H H -0.827 0.970 -4.709 1.00 . A A . 26 ASP H 1 1 17 16082 1 1 26 ASP HA H -3.573 1.931 -5.019 1.00 . A A . 26 ASP HA 1 1 17 16083 1 1 26 ASP HB2 H -2.460 -0.851 -4.399 1.00 . A A . 26 ASP HB2 1 1 17 16084 1 1 26 ASP HB3 H -4.193 -0.440 -4.114 1.00 . A A . 26 ASP HB3 1 1 17 16085 1 1 26 ASP HD2 H -2.418 0.972 -6.627 1.00 . A A . 26 ASP HD2 1 1 17 16086 1 1 26 ASP N N -1.552 1.644 -4.801 1.00 . A A . 26 ASP N 1 1 17 16087 1 1 26 ASP O O -2.374 1.552 -2.088 1.00 . A A . 26 ASP O 1 1 17 16088 1 1 26 ASP OD1 O -4.532 -1.198 -6.502 1.00 . A A . 26 ASP OD1 1 1 17 16089 1 1 26 ASP OD2 O -2.902 0.265 -7.051 1.00 . A A . 26 ASP OD2 1 1 17 16090 1 1 27 VAL C C -5.937 1.646 -0.969 1.00 . A A . 27 VAL C 1 1 17 16091 1 1 27 VAL CA C -4.943 2.621 -1.536 1.00 . A A . 27 VAL CA 1 1 17 16092 1 1 27 VAL CB C -5.535 4.011 -1.701 1.00 . A A . 27 VAL CB 1 1 17 16093 1 1 27 VAL CG1 C -4.544 4.851 -2.523 1.00 . A A . 27 VAL CG1 1 1 17 16094 1 1 27 VAL CG2 C -6.922 3.991 -2.361 1.00 . A A . 27 VAL CG2 1 1 17 16095 1 1 27 VAL H H -5.076 2.214 -3.549 1.00 . A A . 27 VAL H 1 1 17 16096 1 1 27 VAL HA H -4.150 2.697 -0.808 1.00 . A A . 27 VAL HA 1 1 17 16097 1 1 27 VAL HB H -5.640 4.495 -0.707 1.00 . A A . 27 VAL HB 1 1 17 16098 1 1 27 VAL HG11 H -4.868 5.910 -2.536 1.00 . A A . 27 VAL HG11 1 1 17 16099 1 1 27 VAL HG12 H -4.487 4.501 -3.574 1.00 . A A . 27 VAL HG12 1 1 17 16100 1 1 27 VAL HG13 H -3.531 4.801 -2.071 1.00 . A A . 27 VAL HG13 1 1 17 16101 1 1 27 VAL HG21 H -6.950 3.327 -3.247 1.00 . A A . 27 VAL HG21 1 1 17 16102 1 1 27 VAL HG22 H -7.182 5.017 -2.695 1.00 . A A . 27 VAL HG22 1 1 17 16103 1 1 27 VAL HG23 H -7.690 3.664 -1.625 1.00 . A A . 27 VAL HG23 1 1 17 16104 1 1 27 VAL N N -4.440 2.123 -2.786 1.00 . A A . 27 VAL N 1 1 17 16105 1 1 27 VAL O O -6.370 0.697 -1.622 1.00 . A A . 27 VAL O 1 1 17 16106 1 1 28 ARG C C -8.455 1.678 1.417 1.00 . A A . 28 ARG C 1 1 17 16107 1 1 28 ARG CA C -7.190 0.948 0.994 1.00 . A A . 28 ARG CA 1 1 17 16108 1 1 28 ARG CB C -6.481 0.429 2.241 1.00 . A A . 28 ARG CB 1 1 17 16109 1 1 28 ARG CD C -4.500 -0.702 3.301 1.00 . A A . 28 ARG CD 1 1 17 16110 1 1 28 ARG CG C -5.319 -0.545 2.014 1.00 . A A . 28 ARG CG 1 1 17 16111 1 1 28 ARG CZ C -5.784 -2.389 4.720 1.00 . A A . 28 ARG CZ 1 1 17 16112 1 1 28 ARG H H -5.910 2.585 0.836 1.00 . A A . 28 ARG H 1 1 17 16113 1 1 28 ARG HA H -7.483 0.113 0.375 1.00 . A A . 28 ARG HA 1 1 17 16114 1 1 28 ARG HB2 H -6.055 1.312 2.773 1.00 . A A . 28 ARG HB2 1 1 17 16115 1 1 28 ARG HB3 H -7.216 -0.083 2.895 1.00 . A A . 28 ARG HB3 1 1 17 16116 1 1 28 ARG HD2 H -3.652 -1.403 3.192 1.00 . A A . 28 ARG HD2 1 1 17 16117 1 1 28 ARG HD3 H -4.108 0.304 3.562 1.00 . A A . 28 ARG HD3 1 1 17 16118 1 1 28 ARG HE H -5.858 -0.371 4.931 1.00 . A A . 28 ARG HE 1 1 17 16119 1 1 28 ARG HG2 H -5.712 -1.526 1.675 1.00 . A A . 28 ARG HG2 1 1 17 16120 1 1 28 ARG HG3 H -4.648 -0.138 1.226 1.00 . A A . 28 ARG HG3 1 1 17 16121 1 1 28 ARG HH11 H -4.611 -3.352 3.323 1.00 . A A . 28 ARG HH11 1 1 17 16122 1 1 28 ARG HH12 H -5.561 -4.386 4.329 1.00 . A A . 28 ARG HH12 1 1 17 16123 1 1 28 ARG HH21 H -7.092 -1.819 6.208 1.00 . A A . 28 ARG HH21 1 1 17 16124 1 1 28 ARG HH22 H -6.958 -3.529 5.963 1.00 . A A . 28 ARG HH22 1 1 17 16125 1 1 28 ARG N N -6.293 1.833 0.303 1.00 . A A . 28 ARG N 1 1 17 16126 1 1 28 ARG NE N -5.409 -1.108 4.428 1.00 . A A . 28 ARG NE 1 1 17 16127 1 1 28 ARG NH1 N -5.268 -3.467 4.066 1.00 . A A . 28 ARG NH1 1 1 17 16128 1 1 28 ARG NH2 N -6.711 -2.593 5.703 1.00 . A A . 28 ARG NH2 1 1 17 16129 1 1 28 ARG O O -8.458 2.890 1.632 1.00 . A A . 28 ARG O 1 1 17 16130 1 1 29 GLU C C -10.737 1.745 3.633 1.00 . A A . 29 GLU C 1 1 17 16131 1 1 29 GLU CA C -10.822 1.266 2.194 1.00 . A A . 29 GLU CA 1 1 17 16132 1 1 29 GLU CB C -11.818 0.098 2.061 1.00 . A A . 29 GLU CB 1 1 17 16133 1 1 29 GLU CD C -13.864 -0.761 0.781 1.00 . A A . 29 GLU CD 1 1 17 16134 1 1 29 GLU CG C -12.808 0.328 0.897 1.00 . A A . 29 GLU CG 1 1 17 16135 1 1 29 GLU H H -9.468 -0.058 1.422 1.00 . A A . 29 GLU H 1 1 17 16136 1 1 29 GLU HA H -11.220 2.115 1.661 1.00 . A A . 29 GLU HA 1 1 17 16137 1 1 29 GLU HB2 H -11.228 -0.829 1.900 1.00 . A A . 29 GLU HB2 1 1 17 16138 1 1 29 GLU HB3 H -12.393 -0.028 3.001 1.00 . A A . 29 GLU HB3 1 1 17 16139 1 1 29 GLU HE2 H -14.782 0.143 2.268 1.00 . A A . 29 GLU HE2 1 1 17 16140 1 1 29 GLU HG2 H -13.317 1.304 1.039 1.00 . A A . 29 GLU HG2 1 1 17 16141 1 1 29 GLU HG3 H -12.237 0.359 -0.055 1.00 . A A . 29 GLU HG3 1 1 17 16142 1 1 29 GLU N N -9.570 0.927 1.531 1.00 . A A . 29 GLU N 1 1 17 16143 1 1 29 GLU O O -11.635 2.391 4.168 1.00 . A A . 29 GLU O 1 1 17 16144 1 1 29 GLU OE1 O -13.863 -1.653 -0.045 1.00 . A A . 29 GLU OE1 1 1 17 16145 1 1 29 GLU OE2 O -14.871 -0.651 1.711 1.00 . A A . 29 GLU OE2 1 1 17 16146 1 1 30 SER C C -7.887 1.492 5.853 1.00 . A A . 30 SER C 1 1 17 16147 1 1 30 SER CA C -9.388 1.449 5.706 1.00 . A A . 30 SER CA 1 1 17 16148 1 1 30 SER CB C -9.891 0.176 6.457 1.00 . A A . 30 SER CB 1 1 17 16149 1 1 30 SER H H -8.963 0.922 3.714 1.00 . A A . 30 SER H 1 1 17 16150 1 1 30 SER HA H -9.800 2.368 6.094 1.00 . A A . 30 SER HA 1 1 17 16151 1 1 30 SER HB2 H -9.383 -0.729 6.048 1.00 . A A . 30 SER HB2 1 1 17 16152 1 1 30 SER HB3 H -9.654 0.232 7.542 1.00 . A A . 30 SER HB3 1 1 17 16153 1 1 30 SER HG H -11.571 -0.627 7.019 1.00 . A A . 30 SER HG 1 1 17 16154 1 1 30 SER N N -9.636 1.384 4.279 1.00 . A A . 30 SER N 1 1 17 16155 1 1 30 SER O O -7.184 1.627 4.861 1.00 . A A . 30 SER O 1 1 17 16156 1 1 30 SER OG O -11.302 0.000 6.312 1.00 . A A . 30 SER OG 1 1 17 16157 1 1 31 CYS C C -5.498 -0.023 7.997 1.00 . A A . 31 CYS C 1 1 17 16158 1 1 31 CYS CA C -5.861 1.196 7.163 1.00 . A A . 31 CYS CA 1 1 17 16159 1 1 31 CYS CB C -5.216 2.501 7.697 1.00 . A A . 31 CYS CB 1 1 17 16160 1 1 31 CYS H H -7.826 1.347 7.910 1.00 . A A . 31 CYS H 1 1 17 16161 1 1 31 CYS HA H -5.434 1.009 6.187 1.00 . A A . 31 CYS HA 1 1 17 16162 1 1 31 CYS HB2 H -5.790 3.345 7.232 1.00 . A A . 31 CYS HB2 1 1 17 16163 1 1 31 CYS HB3 H -5.340 2.545 8.807 1.00 . A A . 31 CYS HB3 1 1 17 16164 1 1 31 CYS N N -7.303 1.345 7.052 1.00 . A A . 31 CYS N 1 1 17 16165 1 1 31 CYS O O -6.311 -0.548 8.752 1.00 . A A . 31 CYS O 1 1 17 16166 1 1 31 CYS SG S -3.466 2.667 7.200 1.00 . A A . 31 CYS SG 1 1 17 16167 1 1 32 HIS C C -2.269 -1.448 8.777 1.00 . A A . 32 HIS C 1 1 17 16168 1 1 32 HIS CA C -3.758 -1.622 8.661 1.00 . A A . 32 HIS CA 1 1 17 16169 1 1 32 HIS CB C -4.087 -3.001 8.052 1.00 . A A . 32 HIS CB 1 1 17 16170 1 1 32 HIS CD2 C -2.945 -5.292 8.586 1.00 . A A . 32 HIS CD2 1 1 17 16171 1 1 32 HIS CE1 C -3.724 -5.489 10.617 1.00 . A A . 32 HIS CE1 1 1 17 16172 1 1 32 HIS CG C -3.704 -4.202 8.861 1.00 . A A . 32 HIS CG 1 1 17 16173 1 1 32 HIS H H -3.575 -0.107 7.280 1.00 . A A . 32 HIS H 1 1 17 16174 1 1 32 HIS HA H -4.171 -1.568 9.657 1.00 . A A . 32 HIS HA 1 1 17 16175 1 1 32 HIS HB2 H -5.194 -3.064 8.002 1.00 . A A . 32 HIS HB2 1 1 17 16176 1 1 32 HIS HB3 H -3.645 -3.079 7.037 1.00 . A A . 32 HIS HB3 1 1 17 16177 1 1 32 HIS HD1 H -4.844 -3.756 10.577 1.00 . A A . 32 HIS HD1 1 1 17 16178 1 1 32 HIS HD2 H -2.427 -5.574 7.679 1.00 . A A . 32 HIS HD2 1 1 17 16179 1 1 32 HIS HE1 H -3.970 -5.852 11.587 1.00 . A A . 32 HIS HE1 1 1 17 16180 1 1 32 HIS HE2 H -2.490 -6.955 9.805 1.00 . A A . 32 HIS HE2 1 1 17 16181 1 1 32 HIS N N -4.261 -0.531 7.865 1.00 . A A . 32 HIS N 1 1 17 16182 1 1 32 HIS ND1 N -4.184 -4.354 10.126 1.00 . A A . 32 HIS ND1 1 1 17 16183 1 1 32 HIS NE2 N -2.960 -6.075 9.708 1.00 . A A . 32 HIS NE2 1 1 17 16184 1 1 32 HIS O O -1.651 -0.688 8.037 1.00 . A A . 32 HIS O 1 1 17 16185 1 1 33 SER C C 0.729 -2.373 9.037 1.00 . A A . 33 SER C 1 1 17 16186 1 1 33 SER CA C -0.278 -2.078 10.129 1.00 . A A . 33 SER CA 1 1 17 16187 1 1 33 SER CB C 0.011 -3.094 11.264 1.00 . A A . 33 SER CB 1 1 17 16188 1 1 33 SER H H -2.215 -2.711 10.356 1.00 . A A . 33 SER H 1 1 17 16189 1 1 33 SER HA H -0.115 -1.070 10.487 1.00 . A A . 33 SER HA 1 1 17 16190 1 1 33 SER HB2 H 0.040 -4.131 10.857 1.00 . A A . 33 SER HB2 1 1 17 16191 1 1 33 SER HB3 H 0.993 -2.886 11.750 1.00 . A A . 33 SER HB3 1 1 17 16192 1 1 33 SER HG H -0.825 -3.737 12.899 1.00 . A A . 33 SER HG 1 1 17 16193 1 1 33 SER N N -1.670 -2.159 9.733 1.00 . A A . 33 SER N 1 1 17 16194 1 1 33 SER O O 0.880 -3.513 8.599 1.00 . A A . 33 SER O 1 1 17 16195 1 1 33 SER OG O -1.037 -3.048 12.232 1.00 . A A . 33 SER OG 1 1 17 16196 1 1 34 ALA C C 3.577 -0.378 7.993 1.00 . A A . 34 ALA C 1 1 17 16197 1 1 34 ALA CA C 2.594 -1.504 7.720 1.00 . A A . 34 ALA CA 1 1 17 16198 1 1 34 ALA CB C 2.159 -1.619 6.245 1.00 . A A . 34 ALA CB 1 1 17 16199 1 1 34 ALA H H 1.249 -0.415 8.857 1.00 . A A . 34 ALA H 1 1 17 16200 1 1 34 ALA HA H 3.108 -2.403 8.011 1.00 . A A . 34 ALA HA 1 1 17 16201 1 1 34 ALA HB1 H 1.599 -2.571 6.128 1.00 . A A . 34 ALA HB1 1 1 17 16202 1 1 34 ALA HB2 H 3.038 -1.657 5.567 1.00 . A A . 34 ALA HB2 1 1 17 16203 1 1 34 ALA HB3 H 1.469 -0.803 5.953 1.00 . A A . 34 ALA HB3 1 1 17 16204 1 1 34 ALA N N 1.450 -1.341 8.571 1.00 . A A . 34 ALA N 1 1 17 16205 1 1 34 ALA O O 4.643 -0.579 8.570 1.00 . A A . 34 ALA O 1 1 17 16206 1 1 35 CYS C C 3.322 2.839 9.010 1.00 . A A . 35 CYS C 1 1 17 16207 1 1 35 CYS CA C 3.987 2.049 7.910 1.00 . A A . 35 CYS CA 1 1 17 16208 1 1 35 CYS CB C 4.104 2.870 6.609 1.00 . A A . 35 CYS CB 1 1 17 16209 1 1 35 CYS H H 2.378 1.068 7.167 1.00 . A A . 35 CYS H 1 1 17 16210 1 1 35 CYS HA H 4.980 1.799 8.255 1.00 . A A . 35 CYS HA 1 1 17 16211 1 1 35 CYS HB2 H 4.779 3.739 6.759 1.00 . A A . 35 CYS HB2 1 1 17 16212 1 1 35 CYS HB3 H 4.585 2.172 5.887 1.00 . A A . 35 CYS HB3 1 1 17 16213 1 1 35 CYS N N 3.230 0.862 7.620 1.00 . A A . 35 CYS N 1 1 17 16214 1 1 35 CYS O O 2.272 2.460 9.519 1.00 . A A . 35 CYS O 1 1 17 16215 1 1 35 CYS SG S 2.529 3.428 5.875 1.00 . A A . 35 CYS SG 1 1 17 16216 1 1 36 ASP C C 2.853 6.047 10.091 1.00 . A A . 36 ASP C 1 1 17 16217 1 1 36 ASP CA C 3.504 4.751 10.536 1.00 . A A . 36 ASP CA 1 1 17 16218 1 1 36 ASP CB C 4.762 5.048 11.391 1.00 . A A . 36 ASP CB 1 1 17 16219 1 1 36 ASP CG C 4.486 5.001 12.871 1.00 . A A . 36 ASP CG 1 1 17 16220 1 1 36 ASP H H 4.811 4.227 8.985 1.00 . A A . 36 ASP H 1 1 17 16221 1 1 36 ASP HA H 2.766 4.201 11.109 1.00 . A A . 36 ASP HA 1 1 17 16222 1 1 36 ASP HB2 H 5.517 4.248 11.217 1.00 . A A . 36 ASP HB2 1 1 17 16223 1 1 36 ASP HB3 H 5.243 6.008 11.114 1.00 . A A . 36 ASP HB3 1 1 17 16224 1 1 36 ASP HD2 H 3.311 6.512 12.534 1.00 . A A . 36 ASP HD2 1 1 17 16225 1 1 36 ASP N N 3.934 3.957 9.409 1.00 . A A . 36 ASP N 1 1 17 16226 1 1 36 ASP O O 2.607 6.919 10.915 1.00 . A A . 36 ASP O 1 1 17 16227 1 1 36 ASP OD1 O 4.975 4.202 13.649 1.00 . A A . 36 ASP OD1 1 1 17 16228 1 1 36 ASP OD2 O 3.605 5.959 13.272 1.00 . A A . 36 ASP OD2 1 1 17 16229 1 1 37 LYS C C 0.980 7.151 7.220 1.00 . A A . 37 LYS C 1 1 17 16230 1 1 37 LYS CA C 2.113 7.436 8.195 1.00 . A A . 37 LYS CA 1 1 17 16231 1 1 37 LYS CB C 3.301 8.122 7.498 1.00 . A A . 37 LYS CB 1 1 17 16232 1 1 37 LYS CD C 4.316 10.274 6.594 1.00 . A A . 37 LYS CD 1 1 17 16233 1 1 37 LYS CE C 4.065 11.722 6.155 1.00 . A A . 37 LYS CE 1 1 17 16234 1 1 37 LYS CG C 3.076 9.605 7.209 1.00 . A A . 37 LYS CG 1 1 17 16235 1 1 37 LYS H H 2.840 5.488 8.155 1.00 . A A . 37 LYS H 1 1 17 16236 1 1 37 LYS HA H 1.715 8.081 8.961 1.00 . A A . 37 LYS HA 1 1 17 16237 1 1 37 LYS HB2 H 4.189 8.028 8.160 1.00 . A A . 37 LYS HB2 1 1 17 16238 1 1 37 LYS HB3 H 3.544 7.578 6.569 1.00 . A A . 37 LYS HB3 1 1 17 16239 1 1 37 LYS HD2 H 5.142 10.255 7.340 1.00 . A A . 37 LYS HD2 1 1 17 16240 1 1 37 LYS HD3 H 4.646 9.682 5.712 1.00 . A A . 37 LYS HD3 1 1 17 16241 1 1 37 LYS HE2 H 3.241 11.765 5.412 1.00 . A A . 37 LYS HE2 1 1 17 16242 1 1 37 LYS HE3 H 3.805 12.357 7.026 1.00 . A A . 37 LYS HE3 1 1 17 16243 1 1 37 LYS HG2 H 2.204 9.705 6.530 1.00 . A A . 37 LYS HG2 1 1 17 16244 1 1 37 LYS HG3 H 2.808 10.107 8.166 1.00 . A A . 37 LYS HG3 1 1 17 16245 1 1 37 LYS HZ1 H 5.040 13.248 5.153 1.00 . A A . 37 LYS HZ1 1 1 17 16246 1 1 37 LYS HZ2 H 5.576 11.695 4.731 1.00 . A A . 37 LYS HZ2 1 1 17 16247 1 1 37 LYS HZ3 H 6.036 12.374 6.218 1.00 . A A . 37 LYS HZ3 1 1 17 16248 1 1 37 LYS N N 2.599 6.210 8.784 1.00 . A A . 37 LYS N 1 1 17 16249 1 1 37 LYS NZ N 5.270 12.301 5.518 1.00 . A A . 37 LYS NZ 1 1 17 16250 1 1 37 LYS O O 1.104 7.261 5.995 1.00 . A A . 37 LYS O 1 1 17 16251 1 1 38 CYS C C -2.180 7.844 6.920 1.00 . A A . 38 CYS C 1 1 17 16252 1 1 38 CYS CA C -1.397 6.546 7.024 1.00 . A A . 38 CYS CA 1 1 17 16253 1 1 38 CYS CB C -2.214 5.412 7.681 1.00 . A A . 38 CYS CB 1 1 17 16254 1 1 38 CYS H H -0.263 6.589 8.756 1.00 . A A . 38 CYS H 1 1 17 16255 1 1 38 CYS HA H -1.140 6.249 6.015 1.00 . A A . 38 CYS HA 1 1 17 16256 1 1 38 CYS HB2 H -1.458 4.684 8.068 1.00 . A A . 38 CYS HB2 1 1 17 16257 1 1 38 CYS HB3 H -2.774 5.808 8.560 1.00 . A A . 38 CYS HB3 1 1 17 16258 1 1 38 CYS N N -0.176 6.742 7.765 1.00 . A A . 38 CYS N 1 1 17 16259 1 1 38 CYS O O -2.646 8.397 7.916 1.00 . A A . 38 CYS O 1 1 17 16260 1 1 38 CYS SG S -3.298 4.564 6.484 1.00 . A A . 38 CYS SG 1 1 17 16261 1 1 39 VAL C C -4.095 9.299 4.498 1.00 . A A . 39 VAL C 1 1 17 16262 1 1 39 VAL CA C -2.952 9.651 5.427 1.00 . A A . 39 VAL CA 1 1 17 16263 1 1 39 VAL CB C -1.957 10.528 4.713 1.00 . A A . 39 VAL CB 1 1 17 16264 1 1 39 VAL CG1 C -2.561 11.869 4.307 1.00 . A A . 39 VAL CG1 1 1 17 16265 1 1 39 VAL CG2 C -0.747 10.781 5.621 1.00 . A A . 39 VAL CG2 1 1 17 16266 1 1 39 VAL H H -1.902 7.989 4.878 1.00 . A A . 39 VAL H 1 1 17 16267 1 1 39 VAL HA H -3.326 10.133 6.319 1.00 . A A . 39 VAL HA 1 1 17 16268 1 1 39 VAL HB H -1.615 9.981 3.812 1.00 . A A . 39 VAL HB 1 1 17 16269 1 1 39 VAL HG11 H -1.758 12.500 3.871 1.00 . A A . 39 VAL HG11 1 1 17 16270 1 1 39 VAL HG12 H -2.965 12.381 5.206 1.00 . A A . 39 VAL HG12 1 1 17 16271 1 1 39 VAL HG13 H -3.361 11.733 3.554 1.00 . A A . 39 VAL HG13 1 1 17 16272 1 1 39 VAL HG21 H -0.048 11.482 5.116 1.00 . A A . 39 VAL HG21 1 1 17 16273 1 1 39 VAL HG22 H -0.208 9.838 5.845 1.00 . A A . 39 VAL HG22 1 1 17 16274 1 1 39 VAL HG23 H -1.088 11.245 6.571 1.00 . A A . 39 VAL HG23 1 1 17 16275 1 1 39 VAL N N -2.300 8.395 5.704 1.00 . A A . 39 VAL N 1 1 17 16276 1 1 39 VAL O O -3.935 8.448 3.626 1.00 . A A . 39 VAL O 1 1 17 16277 1 1 40 CYS C C -7.528 10.210 3.646 1.00 . A A . 40 CYS C 1 1 17 16278 1 1 40 CYS CA C -6.461 9.241 4.072 1.00 . A A . 40 CYS CA 1 1 17 16279 1 1 40 CYS CB C -7.001 8.223 5.093 1.00 . A A . 40 CYS CB 1 1 17 16280 1 1 40 CYS H H -5.467 10.637 5.270 1.00 . A A . 40 CYS H 1 1 17 16281 1 1 40 CYS HA H -6.195 8.713 3.173 1.00 . A A . 40 CYS HA 1 1 17 16282 1 1 40 CYS HB2 H -6.119 7.614 5.380 1.00 . A A . 40 CYS HB2 1 1 17 16283 1 1 40 CYS HB3 H -7.328 8.784 5.990 1.00 . A A . 40 CYS HB3 1 1 17 16284 1 1 40 CYS N N -5.299 9.870 4.650 1.00 . A A . 40 CYS N 1 1 17 16285 1 1 40 CYS O O -8.165 10.894 4.446 1.00 . A A . 40 CYS O 1 1 17 16286 1 1 40 CYS SG S -8.282 7.097 4.463 1.00 . A A . 40 CYS SG 1 1 17 16287 1 1 41 ALA C C -10.131 10.801 2.032 1.00 . A A . 41 ALA C 1 1 17 16288 1 1 41 ALA CA C -8.697 11.151 1.701 1.00 . A A . 41 ALA CA 1 1 17 16289 1 1 41 ALA CB C -8.511 11.216 0.185 1.00 . A A . 41 ALA CB 1 1 17 16290 1 1 41 ALA H H -7.342 9.546 1.758 1.00 . A A . 41 ALA H 1 1 17 16291 1 1 41 ALA HA H -8.536 12.145 2.087 1.00 . A A . 41 ALA HA 1 1 17 16292 1 1 41 ALA HB1 H -9.209 11.961 -0.258 1.00 . A A . 41 ALA HB1 1 1 17 16293 1 1 41 ALA HB2 H -8.691 10.223 -0.280 1.00 . A A . 41 ALA HB2 1 1 17 16294 1 1 41 ALA HB3 H -7.475 11.532 -0.049 1.00 . A A . 41 ALA HB3 1 1 17 16295 1 1 41 ALA N N -7.736 10.274 2.322 1.00 . A A . 41 ALA N 1 1 17 16296 1 1 41 ALA O O -10.520 9.636 2.087 1.00 . A A . 41 ALA O 1 1 17 16297 1 1 42 TYR C C -13.367 11.403 1.676 1.00 . A A . 42 TYR C 1 1 17 16298 1 1 42 TYR CA C -12.319 11.742 2.729 1.00 . A A . 42 TYR CA 1 1 17 16299 1 1 42 TYR CB C -12.670 13.026 3.525 1.00 . A A . 42 TYR CB 1 1 17 16300 1 1 42 TYR CD1 C -11.640 14.958 2.219 1.00 . A A . 42 TYR CD1 1 1 17 16301 1 1 42 TYR CD2 C -14.045 14.777 2.304 1.00 . A A . 42 TYR CD2 1 1 17 16302 1 1 42 TYR CE1 C -11.758 16.084 1.397 1.00 . A A . 42 TYR CE1 1 1 17 16303 1 1 42 TYR CE2 C -14.163 15.900 1.474 1.00 . A A . 42 TYR CE2 1 1 17 16304 1 1 42 TYR CG C -12.783 14.275 2.671 1.00 . A A . 42 TYR CG 1 1 17 16305 1 1 42 TYR CZ C -13.019 16.552 1.017 1.00 . A A . 42 TYR CZ 1 1 17 16306 1 1 42 TYR H H -10.607 12.745 2.097 1.00 . A A . 42 TYR H 1 1 17 16307 1 1 42 TYR HA H -12.327 10.921 3.418 1.00 . A A . 42 TYR HA 1 1 17 16308 1 1 42 TYR HB2 H -13.618 12.870 4.085 1.00 . A A . 42 TYR HB2 1 1 17 16309 1 1 42 TYR HB3 H -11.853 13.177 4.261 1.00 . A A . 42 TYR HB3 1 1 17 16310 1 1 42 TYR HD1 H -10.652 14.635 2.503 1.00 . A A . 42 TYR HD1 1 1 17 16311 1 1 42 TYR HD2 H -14.944 14.284 2.640 1.00 . A A . 42 TYR HD2 1 1 17 16312 1 1 42 TYR HE1 H -10.862 16.575 1.057 1.00 . A A . 42 TYR HE1 1 1 17 16313 1 1 42 TYR HE2 H -15.140 16.260 1.189 1.00 . A A . 42 TYR HE2 1 1 17 16314 1 1 42 TYR HH H -12.301 18.169 0.218 1.00 . A A . 42 TYR HH 1 1 17 16315 1 1 42 TYR N N -10.966 11.831 2.217 1.00 . A A . 42 TYR N 1 1 17 16316 1 1 42 TYR O O -14.535 11.775 1.753 1.00 . A A . 42 TYR O 1 1 17 16317 1 1 42 TYR OH O -13.144 17.675 0.174 1.00 . A A . 42 TYR OH 1 1 17 16318 1 1 43 SER C C -14.822 9.467 -0.480 1.00 . A A . 43 SER C 1 1 17 16319 1 1 43 SER CA C -13.545 10.299 -0.587 1.00 . A A . 43 SER CA 1 1 17 16320 1 1 43 SER CB C -12.509 9.638 -1.536 1.00 . A A . 43 SER CB 1 1 17 16321 1 1 43 SER H H -11.945 10.430 0.753 1.00 . A A . 43 SER H 1 1 17 16322 1 1 43 SER HA H -13.848 11.207 -1.073 1.00 . A A . 43 SER HA 1 1 17 16323 1 1 43 SER HB2 H -12.219 8.644 -1.116 1.00 . A A . 43 SER HB2 1 1 17 16324 1 1 43 SER HB3 H -12.939 9.537 -2.560 1.00 . A A . 43 SER HB3 1 1 17 16325 1 1 43 SER HG H -10.716 10.020 -2.265 1.00 . A A . 43 SER HG 1 1 17 16326 1 1 43 SER N N -12.905 10.678 0.658 1.00 . A A . 43 SER N 1 1 17 16327 1 1 43 SER O O -15.704 9.686 0.347 1.00 . A A . 43 SER O 1 1 17 16328 1 1 43 SER OG O -11.336 10.452 -1.636 1.00 . A A . 43 SER OG 1 1 17 16329 1 1 44 ASN C C -15.843 6.302 -1.962 1.00 . A A . 44 ASN C 1 1 17 16330 1 1 44 ASN CA C -16.192 7.694 -1.454 1.00 . A A . 44 ASN CA 1 1 17 16331 1 1 44 ASN CB C -17.118 8.416 -2.453 1.00 . A A . 44 ASN CB 1 1 17 16332 1 1 44 ASN CG C -18.531 7.864 -2.520 1.00 . A A . 44 ASN CG 1 1 17 16333 1 1 44 ASN H H -14.337 8.294 -2.074 1.00 . A A . 44 ASN H 1 1 17 16334 1 1 44 ASN HA H -16.636 7.607 -0.478 1.00 . A A . 44 ASN HA 1 1 17 16335 1 1 44 ASN HB2 H -17.192 9.468 -2.113 1.00 . A A . 44 ASN HB2 1 1 17 16336 1 1 44 ASN HB3 H -16.643 8.443 -3.450 1.00 . A A . 44 ASN HB3 1 1 17 16337 1 1 44 ASN HD21 H -18.065 6.419 -3.895 1.00 . A A . 44 ASN HD21 1 1 17 16338 1 1 44 ASN HD22 H -19.732 6.520 -3.425 1.00 . A A . 44 ASN HD22 1 1 17 16339 1 1 44 ASN N N -15.001 8.488 -1.374 1.00 . A A . 44 ASN N 1 1 17 16340 1 1 44 ASN ND2 N -18.788 6.832 -3.347 1.00 . A A . 44 ASN ND2 1 1 17 16341 1 1 44 ASN O O -15.706 6.124 -3.176 1.00 . A A . 44 ASN O 1 1 17 16342 1 1 44 ASN OD1 O -19.418 8.380 -1.838 1.00 . A A . 44 ASN OD1 1 1 17 16343 1 1 45 PRO C C -13.992 5.940 0.564 1.00 . A A . 45 PRO C 1 1 17 16344 1 1 45 PRO CA C -15.403 5.388 0.317 1.00 . A A . 45 PRO CA 1 1 17 16345 1 1 45 PRO CB C -15.582 3.924 0.744 1.00 . A A . 45 PRO CB 1 1 17 16346 1 1 45 PRO CD C -15.561 3.934 -1.636 1.00 . A A . 45 PRO CD 1 1 17 16347 1 1 45 PRO CG C -15.074 3.116 -0.447 1.00 . A A . 45 PRO CG 1 1 17 16348 1 1 45 PRO HA H -16.099 6.059 0.786 1.00 . A A . 45 PRO HA 1 1 17 16349 1 1 45 PRO HB2 H -15.079 3.666 1.682 1.00 . A A . 45 PRO HB2 1 1 17 16350 1 1 45 PRO HB3 H -16.658 3.730 0.905 1.00 . A A . 45 PRO HB3 1 1 17 16351 1 1 45 PRO HD2 H -14.838 3.882 -2.482 1.00 . A A . 45 PRO HD2 1 1 17 16352 1 1 45 PRO HD3 H -16.562 3.587 -1.974 1.00 . A A . 45 PRO HD3 1 1 17 16353 1 1 45 PRO HG2 H -13.964 3.107 -0.442 1.00 . A A . 45 PRO HG2 1 1 17 16354 1 1 45 PRO HG3 H -15.438 2.072 -0.461 1.00 . A A . 45 PRO HG3 1 1 17 16355 1 1 45 PRO N N -15.692 5.296 -1.119 1.00 . A A . 45 PRO N 1 1 17 16356 1 1 45 PRO O O -13.331 6.222 -0.440 1.00 . A A . 45 PRO O 1 1 17 16357 1 1 46 PRO C C -11.008 6.101 1.385 1.00 . A A . 46 PRO C 1 1 17 16358 1 1 46 PRO CA C -12.194 6.888 1.903 1.00 . A A . 46 PRO CA 1 1 17 16359 1 1 46 PRO CB C -12.088 7.172 3.406 1.00 . A A . 46 PRO CB 1 1 17 16360 1 1 46 PRO CD C -14.086 5.934 3.065 1.00 . A A . 46 PRO CD 1 1 17 16361 1 1 46 PRO CG C -12.936 6.087 4.056 1.00 . A A . 46 PRO CG 1 1 17 16362 1 1 46 PRO HA H -12.231 7.803 1.334 1.00 . A A . 46 PRO HA 1 1 17 16363 1 1 46 PRO HB2 H -11.048 7.195 3.777 1.00 . A A . 46 PRO HB2 1 1 17 16364 1 1 46 PRO HB3 H -12.561 8.157 3.614 1.00 . A A . 46 PRO HB3 1 1 17 16365 1 1 46 PRO HD2 H -14.510 4.901 3.145 1.00 . A A . 46 PRO HD2 1 1 17 16366 1 1 46 PRO HD3 H -14.834 6.745 3.261 1.00 . A A . 46 PRO HD3 1 1 17 16367 1 1 46 PRO HG2 H -12.360 5.135 4.111 1.00 . A A . 46 PRO HG2 1 1 17 16368 1 1 46 PRO HG3 H -13.278 6.396 5.064 1.00 . A A . 46 PRO HG3 1 1 17 16369 1 1 46 PRO N N -13.459 6.179 1.764 1.00 . A A . 46 PRO N 1 1 17 16370 1 1 46 PRO O O -11.080 4.890 1.184 1.00 . A A . 46 PRO O 1 1 17 16371 1 1 47 GLN C C -7.565 6.540 1.046 1.00 . A A . 47 GLN C 1 1 17 16372 1 1 47 GLN CA C -8.835 6.293 0.276 1.00 . A A . 47 GLN CA 1 1 17 16373 1 1 47 GLN CB C -8.847 6.948 -1.113 1.00 . A A . 47 GLN CB 1 1 17 16374 1 1 47 GLN CD C -10.202 5.260 -2.492 1.00 . A A . 47 GLN CD 1 1 17 16375 1 1 47 GLN CG C -10.147 6.667 -1.905 1.00 . A A . 47 GLN CG 1 1 17 16376 1 1 47 GLN H H -9.860 7.781 1.321 1.00 . A A . 47 GLN H 1 1 17 16377 1 1 47 GLN HA H -8.902 5.223 0.167 1.00 . A A . 47 GLN HA 1 1 17 16378 1 1 47 GLN HB2 H -8.759 8.047 -0.984 1.00 . A A . 47 GLN HB2 1 1 17 16379 1 1 47 GLN HB3 H -7.971 6.608 -1.696 1.00 . A A . 47 GLN HB3 1 1 17 16380 1 1 47 GLN HE21 H -10.875 4.494 -0.739 1.00 . A A . 47 GLN HE21 1 1 17 16381 1 1 47 GLN HE22 H -10.649 3.347 -2.042 1.00 . A A . 47 GLN HE22 1 1 17 16382 1 1 47 GLN HG2 H -11.033 6.827 -1.263 1.00 . A A . 47 GLN HG2 1 1 17 16383 1 1 47 GLN HG3 H -10.217 7.371 -2.754 1.00 . A A . 47 GLN HG3 1 1 17 16384 1 1 47 GLN N N -9.922 6.816 1.067 1.00 . A A . 47 GLN N 1 1 17 16385 1 1 47 GLN NE2 N -10.624 4.271 -1.682 1.00 . A A . 47 GLN NE2 1 1 17 16386 1 1 47 GLN O O -6.999 7.631 1.077 1.00 . A A . 47 GLN O 1 1 17 16387 1 1 47 GLN OE1 O -9.882 5.057 -3.666 1.00 . A A . 47 GLN OE1 1 1 17 16388 1 1 48 CYS C C -4.749 5.212 2.041 1.00 . A A . 48 CYS C 1 1 17 16389 1 1 48 CYS CA C -6.060 5.542 2.719 1.00 . A A . 48 CYS CA 1 1 17 16390 1 1 48 CYS CB C -6.280 4.712 3.999 1.00 . A A . 48 CYS CB 1 1 17 16391 1 1 48 CYS H H -7.674 4.650 1.744 1.00 . A A . 48 CYS H 1 1 17 16392 1 1 48 CYS HA H -5.906 6.555 3.048 1.00 . A A . 48 CYS HA 1 1 17 16393 1 1 48 CYS HB2 H -6.450 3.653 3.706 1.00 . A A . 48 CYS HB2 1 1 17 16394 1 1 48 CYS HB3 H -5.350 4.768 4.601 1.00 . A A . 48 CYS HB3 1 1 17 16395 1 1 48 CYS N N -7.210 5.534 1.852 1.00 . A A . 48 CYS N 1 1 17 16396 1 1 48 CYS O O -4.559 4.106 1.536 1.00 . A A . 48 CYS O 1 1 17 16397 1 1 48 CYS SG S -7.671 5.246 5.071 1.00 . A A . 48 CYS SG 1 1 17 16398 1 1 49 GLN C C -1.439 5.800 2.558 1.00 . A A . 49 GLN C 1 1 17 16399 1 1 49 GLN CA C -2.485 5.994 1.484 1.00 . A A . 49 GLN CA 1 1 17 16400 1 1 49 GLN CB C -2.079 7.283 0.730 1.00 . A A . 49 GLN CB 1 1 17 16401 1 1 49 GLN CD C -4.215 8.213 -0.483 1.00 . A A . 49 GLN CD 1 1 17 16402 1 1 49 GLN CG C -2.835 7.557 -0.594 1.00 . A A . 49 GLN CG 1 1 17 16403 1 1 49 GLN H H -3.894 7.008 2.563 1.00 . A A . 49 GLN H 1 1 17 16404 1 1 49 GLN HA H -2.453 5.144 0.825 1.00 . A A . 49 GLN HA 1 1 17 16405 1 1 49 GLN HB2 H -2.191 8.135 1.433 1.00 . A A . 49 GLN HB2 1 1 17 16406 1 1 49 GLN HB3 H -1.001 7.209 0.451 1.00 . A A . 49 GLN HB3 1 1 17 16407 1 1 49 GLN HE21 H -3.523 9.636 0.785 1.00 . A A . 49 GLN HE21 1 1 17 16408 1 1 49 GLN HE22 H -5.230 9.679 0.416 1.00 . A A . 49 GLN HE22 1 1 17 16409 1 1 49 GLN HG2 H -2.218 8.226 -1.229 1.00 . A A . 49 GLN HG2 1 1 17 16410 1 1 49 GLN HG3 H -2.957 6.599 -1.137 1.00 . A A . 49 GLN HG3 1 1 17 16411 1 1 49 GLN N N -3.785 6.141 2.070 1.00 . A A . 49 GLN N 1 1 17 16412 1 1 49 GLN NE2 N -4.333 9.261 0.355 1.00 . A A . 49 GLN NE2 1 1 17 16413 1 1 49 GLN O O -1.434 6.461 3.596 1.00 . A A . 49 GLN O 1 1 17 16414 1 1 49 GLN OE1 O -5.165 7.858 -1.180 1.00 . A A . 49 GLN OE1 1 1 17 16415 1 1 50 CYS C C 1.753 5.844 2.395 1.00 . A A . 50 CYS C 1 1 17 16416 1 1 50 CYS CA C 0.777 4.876 3.039 1.00 . A A . 50 CYS CA 1 1 17 16417 1 1 50 CYS CB C 1.372 3.442 3.040 1.00 . A A . 50 CYS CB 1 1 17 16418 1 1 50 CYS H H -0.548 4.370 1.450 1.00 . A A . 50 CYS H 1 1 17 16419 1 1 50 CYS HA H 0.624 5.224 4.055 1.00 . A A . 50 CYS HA 1 1 17 16420 1 1 50 CYS HB2 H 0.631 2.743 3.485 1.00 . A A . 50 CYS HB2 1 1 17 16421 1 1 50 CYS HB3 H 1.512 3.123 1.985 1.00 . A A . 50 CYS HB3 1 1 17 16422 1 1 50 CYS N N -0.467 4.923 2.288 1.00 . A A . 50 CYS N 1 1 17 16423 1 1 50 CYS O O 2.421 5.530 1.416 1.00 . A A . 50 CYS O 1 1 17 16424 1 1 50 CYS SG S 2.970 3.310 3.906 1.00 . A A . 50 CYS SG 1 1 17 16425 1 1 51 TYR C C 4.177 7.767 2.382 1.00 . A A . 51 TYR C 1 1 17 16426 1 1 51 TYR CA C 2.714 8.143 2.495 1.00 . A A . 51 TYR CA 1 1 17 16427 1 1 51 TYR CB C 2.565 9.409 3.380 1.00 . A A . 51 TYR CB 1 1 17 16428 1 1 51 TYR CD1 C 0.451 10.109 2.208 1.00 . A A . 51 TYR CD1 1 1 17 16429 1 1 51 TYR CD2 C 2.208 11.748 2.448 1.00 . A A . 51 TYR CD2 1 1 17 16430 1 1 51 TYR CE1 C -0.326 11.040 1.516 1.00 . A A . 51 TYR CE1 1 1 17 16431 1 1 51 TYR CE2 C 1.427 12.678 1.758 1.00 . A A . 51 TYR CE2 1 1 17 16432 1 1 51 TYR CG C 1.731 10.445 2.679 1.00 . A A . 51 TYR CG 1 1 17 16433 1 1 51 TYR CZ C 0.161 12.330 1.289 1.00 . A A . 51 TYR CZ 1 1 17 16434 1 1 51 TYR H H 1.306 7.237 3.781 1.00 . A A . 51 TYR H 1 1 17 16435 1 1 51 TYR HA H 2.443 8.365 1.473 1.00 . A A . 51 TYR HA 1 1 17 16436 1 1 51 TYR HB2 H 2.078 9.165 4.341 1.00 . A A . 51 TYR HB2 1 1 17 16437 1 1 51 TYR HB3 H 3.549 9.852 3.626 1.00 . A A . 51 TYR HB3 1 1 17 16438 1 1 51 TYR HD1 H 0.031 9.131 2.378 1.00 . A A . 51 TYR HD1 1 1 17 16439 1 1 51 TYR HD2 H 3.177 12.086 2.775 1.00 . A A . 51 TYR HD2 1 1 17 16440 1 1 51 TYR HE1 H -1.303 10.734 1.186 1.00 . A A . 51 TYR HE1 1 1 17 16441 1 1 51 TYR HE2 H 1.834 13.660 1.602 1.00 . A A . 51 TYR HE2 1 1 17 16442 1 1 51 TYR HH H -1.417 12.834 0.273 1.00 . A A . 51 TYR HH 1 1 17 16443 1 1 51 TYR N N 1.816 7.077 2.933 1.00 . A A . 51 TYR N 1 1 17 16444 1 1 51 TYR O O 4.901 8.131 1.457 1.00 . A A . 51 TYR O 1 1 17 16445 1 1 51 TYR OH O -0.613 13.287 0.607 1.00 . A A . 51 TYR OH 1 1 17 16446 1 1 52 ASP C C 6.456 5.504 2.884 1.00 . A A . 52 ASP C 1 1 17 16447 1 1 52 ASP CA C 6.036 6.766 3.627 1.00 . A A . 52 ASP CA 1 1 17 16448 1 1 52 ASP CB C 6.316 6.718 5.155 1.00 . A A . 52 ASP CB 1 1 17 16449 1 1 52 ASP CG C 7.754 7.072 5.514 1.00 . A A . 52 ASP CG 1 1 17 16450 1 1 52 ASP H H 3.949 6.671 4.017 1.00 . A A . 52 ASP H 1 1 17 16451 1 1 52 ASP HA H 6.621 7.569 3.192 1.00 . A A . 52 ASP HA 1 1 17 16452 1 1 52 ASP HB2 H 5.672 7.464 5.665 1.00 . A A . 52 ASP HB2 1 1 17 16453 1 1 52 ASP HB3 H 6.074 5.720 5.568 1.00 . A A . 52 ASP HB3 1 1 17 16454 1 1 52 ASP HD2 H 8.767 7.914 6.888 1.00 . A A . 52 ASP HD2 1 1 17 16455 1 1 52 ASP N N 4.638 7.049 3.408 1.00 . A A . 52 ASP N 1 1 17 16456 1 1 52 ASP O O 5.659 4.661 2.477 1.00 . A A . 52 ASP O 1 1 17 16457 1 1 52 ASP OD1 O 8.752 6.738 4.901 1.00 . A A . 52 ASP OD1 1 1 17 16458 1 1 52 ASP OD2 O 7.843 7.899 6.602 1.00 . A A . 52 ASP OD2 1 1 17 16459 1 1 53 THR C C 8.406 3.002 2.874 1.00 . A A . 53 THR C 1 1 17 16460 1 1 53 THR CA C 8.368 4.240 2.003 1.00 . A A . 53 THR CA 1 1 17 16461 1 1 53 THR CB C 9.761 4.565 1.497 1.00 . A A . 53 THR CB 1 1 17 16462 1 1 53 THR CG2 C 9.596 5.451 0.256 1.00 . A A . 53 THR CG2 1 1 17 16463 1 1 53 THR H H 8.410 6.035 3.033 1.00 . A A . 53 THR H 1 1 17 16464 1 1 53 THR HA H 7.757 3.989 1.157 1.00 . A A . 53 THR HA 1 1 17 16465 1 1 53 THR HB H 10.336 3.653 1.219 1.00 . A A . 53 THR HB 1 1 17 16466 1 1 53 THR HG1 H 10.750 4.717 3.170 1.00 . A A . 53 THR HG1 1 1 17 16467 1 1 53 THR HG21 H 9.058 4.911 -0.548 1.00 . A A . 53 THR HG21 1 1 17 16468 1 1 53 THR HG22 H 10.591 5.747 -0.133 1.00 . A A . 53 THR HG22 1 1 17 16469 1 1 53 THR HG23 H 9.039 6.380 0.503 1.00 . A A . 53 THR HG23 1 1 17 16470 1 1 53 THR N N 7.762 5.366 2.667 1.00 . A A . 53 THR N 1 1 17 16471 1 1 53 THR O O 8.166 3.027 4.082 1.00 . A A . 53 THR O 1 1 17 16472 1 1 53 THR OG1 O 10.505 5.325 2.441 1.00 . A A . 53 THR OG1 1 1 17 16473 1 1 54 HIS C C 9.839 -0.183 2.168 1.00 . A A . 54 HIS C 1 1 17 16474 1 1 54 HIS CA C 8.791 0.591 2.932 1.00 . A A . 54 HIS CA 1 1 17 16475 1 1 54 HIS CB C 7.448 -0.189 2.892 1.00 . A A . 54 HIS CB 1 1 17 16476 1 1 54 HIS CD2 C 6.962 -0.735 5.410 1.00 . A A . 54 HIS CD2 1 1 17 16477 1 1 54 HIS CE1 C 6.177 -2.744 5.064 1.00 . A A . 54 HIS CE1 1 1 17 16478 1 1 54 HIS CG C 7.076 -1.015 4.088 1.00 . A A . 54 HIS CG 1 1 17 16479 1 1 54 HIS H H 8.869 1.780 1.273 1.00 . A A . 54 HIS H 1 1 17 16480 1 1 54 HIS HA H 9.169 0.755 3.929 1.00 . A A . 54 HIS HA 1 1 17 16481 1 1 54 HIS HB2 H 6.625 0.545 2.778 1.00 . A A . 54 HIS HB2 1 1 17 16482 1 1 54 HIS HB3 H 7.416 -0.869 2.012 1.00 . A A . 54 HIS HB3 1 1 17 16483 1 1 54 HIS HD1 H 6.466 -2.724 3.016 1.00 . A A . 54 HIS HD1 1 1 17 16484 1 1 54 HIS HD2 H 7.272 0.138 5.974 1.00 . A A . 54 HIS HD2 1 1 17 16485 1 1 54 HIS HE1 H 5.776 -3.722 5.204 1.00 . A A . 54 HIS HE1 1 1 17 16486 1 1 54 HIS HE2 H 6.231 -1.956 6.983 1.00 . A A . 54 HIS HE2 1 1 17 16487 1 1 54 HIS N N 8.665 1.847 2.251 1.00 . A A . 54 HIS N 1 1 17 16488 1 1 54 HIS ND1 N 6.564 -2.267 3.898 1.00 . A A . 54 HIS ND1 1 1 17 16489 1 1 54 HIS NE2 N 6.399 -1.836 6.001 1.00 . A A . 54 HIS NE2 1 1 17 16490 1 1 54 HIS O O 10.236 0.187 1.059 1.00 . A A . 54 HIS O 1 1 17 16491 1 1 55 LYS C C 10.622 -3.593 1.975 1.00 . A A . 55 LYS C 1 1 17 16492 1 1 55 LYS CA C 11.215 -2.205 2.109 1.00 . A A . 55 LYS CA 1 1 17 16493 1 1 55 LYS CB C 12.555 -2.219 2.881 1.00 . A A . 55 LYS CB 1 1 17 16494 1 1 55 LYS CD C 13.875 -2.839 4.988 1.00 . A A . 55 LYS CD 1 1 17 16495 1 1 55 LYS CE C 14.559 -4.143 4.561 1.00 . A A . 55 LYS CE 1 1 17 16496 1 1 55 LYS CG C 12.488 -2.650 4.356 1.00 . A A . 55 LYS CG 1 1 17 16497 1 1 55 LYS H H 10.005 -1.561 3.659 1.00 . A A . 55 LYS H 1 1 17 16498 1 1 55 LYS HA H 11.418 -1.874 1.103 1.00 . A A . 55 LYS HA 1 1 17 16499 1 1 55 LYS HB2 H 13.266 -2.870 2.340 1.00 . A A . 55 LYS HB2 1 1 17 16500 1 1 55 LYS HB3 H 12.966 -1.188 2.856 1.00 . A A . 55 LYS HB3 1 1 17 16501 1 1 55 LYS HD2 H 14.520 -1.968 4.733 1.00 . A A . 55 LYS HD2 1 1 17 16502 1 1 55 LYS HD3 H 13.753 -2.853 6.095 1.00 . A A . 55 LYS HD3 1 1 17 16503 1 1 55 LYS HE2 H 13.927 -5.015 4.835 1.00 . A A . 55 LYS HE2 1 1 17 16504 1 1 55 LYS HE3 H 14.738 -4.156 3.466 1.00 . A A . 55 LYS HE3 1 1 17 16505 1 1 55 LYS HG2 H 11.956 -1.857 4.929 1.00 . A A . 55 LYS HG2 1 1 17 16506 1 1 55 LYS HG3 H 11.918 -3.602 4.453 1.00 . A A . 55 LYS HG3 1 1 17 16507 1 1 55 LYS HZ1 H 16.315 -5.184 4.962 1.00 . A A . 55 LYS HZ1 1 1 17 16508 1 1 55 LYS HZ2 H 15.725 -4.282 6.274 1.00 . A A . 55 LYS HZ2 1 1 17 16509 1 1 55 LYS HZ3 H 16.485 -3.496 4.978 1.00 . A A . 55 LYS HZ3 1 1 17 16510 1 1 55 LYS N N 10.279 -1.307 2.731 1.00 . A A . 55 LYS N 1 1 17 16511 1 1 55 LYS NZ N 15.864 -4.290 5.242 1.00 . A A . 55 LYS NZ 1 1 17 16512 1 1 55 LYS O O 11.315 -4.606 1.996 1.00 . A A . 55 LYS O 1 1 17 16513 1 1 56 PHE C C 7.411 -4.699 0.717 1.00 . A A . 56 PHE C 1 1 17 16514 1 1 56 PHE CA C 8.585 -4.915 1.650 1.00 . A A . 56 PHE CA 1 1 17 16515 1 1 56 PHE CB C 8.107 -5.455 3.021 1.00 . A A . 56 PHE CB 1 1 17 16516 1 1 56 PHE CD1 C 7.151 -7.758 2.580 1.00 . A A . 56 PHE CD1 1 1 17 16517 1 1 56 PHE CD2 C 9.331 -7.574 3.611 1.00 . A A . 56 PHE CD2 1 1 17 16518 1 1 56 PHE CE1 C 7.221 -9.152 2.676 1.00 . A A . 56 PHE CE1 1 1 17 16519 1 1 56 PHE CE2 C 9.402 -8.967 3.713 1.00 . A A . 56 PHE CE2 1 1 17 16520 1 1 56 PHE CG C 8.194 -6.955 3.067 1.00 . A A . 56 PHE CG 1 1 17 16521 1 1 56 PHE CZ C 8.342 -9.758 3.254 1.00 . A A . 56 PHE CZ 1 1 17 16522 1 1 56 PHE H H 8.764 -2.826 1.722 1.00 . A A . 56 PHE H 1 1 17 16523 1 1 56 PHE HA H 9.244 -5.629 1.173 1.00 . A A . 56 PHE HA 1 1 17 16524 1 1 56 PHE HB2 H 8.774 -5.061 3.816 1.00 . A A . 56 PHE HB2 1 1 17 16525 1 1 56 PHE HB3 H 7.071 -5.146 3.266 1.00 . A A . 56 PHE HB3 1 1 17 16526 1 1 56 PHE HD1 H 6.276 -7.307 2.140 1.00 . A A . 56 PHE HD1 1 1 17 16527 1 1 56 PHE HD2 H 10.158 -6.973 3.971 1.00 . A A . 56 PHE HD2 1 1 17 16528 1 1 56 PHE HE1 H 6.396 -9.750 2.314 1.00 . A A . 56 PHE HE1 1 1 17 16529 1 1 56 PHE HE2 H 10.278 -9.420 4.151 1.00 . A A . 56 PHE HE2 1 1 17 16530 1 1 56 PHE HZ H 8.395 -10.833 3.339 1.00 . A A . 56 PHE HZ 1 1 17 16531 1 1 56 PHE N N 9.293 -3.663 1.795 1.00 . A A . 56 PHE N 1 1 17 16532 1 1 56 PHE O O 6.682 -3.712 0.817 1.00 . A A . 56 PHE O 1 1 17 16533 1 1 57 CYS C C 5.361 -7.004 -0.777 1.00 . A A . 57 CYS C 1 1 17 16534 1 1 57 CYS CA C 6.099 -5.723 -1.121 1.00 . A A . 57 CYS CA 1 1 17 16535 1 1 57 CYS CB C 6.540 -5.748 -2.602 1.00 . A A . 57 CYS CB 1 1 17 16536 1 1 57 CYS H H 7.883 -6.386 -0.309 1.00 . A A . 57 CYS H 1 1 17 16537 1 1 57 CYS HA H 5.420 -4.900 -0.954 1.00 . A A . 57 CYS HA 1 1 17 16538 1 1 57 CYS HB2 H 7.189 -4.867 -2.780 1.00 . A A . 57 CYS HB2 1 1 17 16539 1 1 57 CYS HB3 H 7.167 -6.651 -2.768 1.00 . A A . 57 CYS HB3 1 1 17 16540 1 1 57 CYS N N 7.229 -5.624 -0.232 1.00 . A A . 57 CYS N 1 1 17 16541 1 1 57 CYS O O 5.943 -8.080 -0.652 1.00 . A A . 57 CYS O 1 1 17 16542 1 1 57 CYS SG S 5.158 -5.745 -3.788 1.00 . A A . 57 CYS SG 1 1 17 16543 1 1 58 TYR C C 2.335 -8.502 -1.318 1.00 . A A . 58 TYR C 1 1 17 16544 1 1 58 TYR CA C 3.195 -7.991 -0.180 1.00 . A A . 58 TYR CA 1 1 17 16545 1 1 58 TYR CB C 2.257 -7.534 0.964 1.00 . A A . 58 TYR CB 1 1 17 16546 1 1 58 TYR CD1 C 3.254 -8.689 2.964 1.00 . A A . 58 TYR CD1 1 1 17 16547 1 1 58 TYR CD2 C 3.400 -6.281 2.870 1.00 . A A . 58 TYR CD2 1 1 17 16548 1 1 58 TYR CE1 C 3.930 -8.692 4.187 1.00 . A A . 58 TYR CE1 1 1 17 16549 1 1 58 TYR CE2 C 4.077 -6.282 4.097 1.00 . A A . 58 TYR CE2 1 1 17 16550 1 1 58 TYR CG C 2.992 -7.491 2.280 1.00 . A A . 58 TYR CG 1 1 17 16551 1 1 58 TYR CZ C 4.349 -7.488 4.753 1.00 . A A . 58 TYR CZ 1 1 17 16552 1 1 58 TYR H H 3.608 -6.006 -0.680 1.00 . A A . 58 TYR H 1 1 17 16553 1 1 58 TYR HA H 3.776 -8.844 0.157 1.00 . A A . 58 TYR HA 1 1 17 16554 1 1 58 TYR HB2 H 1.828 -6.539 0.742 1.00 . A A . 58 TYR HB2 1 1 17 16555 1 1 58 TYR HB3 H 1.403 -8.232 1.094 1.00 . A A . 58 TYR HB3 1 1 17 16556 1 1 58 TYR HD1 H 2.934 -9.637 2.571 1.00 . A A . 58 TYR HD1 1 1 17 16557 1 1 58 TYR HD2 H 3.186 -5.335 2.402 1.00 . A A . 58 TYR HD2 1 1 17 16558 1 1 58 TYR HE1 H 4.109 -9.641 4.666 1.00 . A A . 58 TYR HE1 1 1 17 16559 1 1 58 TYR HE2 H 4.365 -5.344 4.537 1.00 . A A . 58 TYR HE2 1 1 17 16560 1 1 58 TYR HH H 5.019 -8.398 6.316 1.00 . A A . 58 TYR HH 1 1 17 16561 1 1 58 TYR N N 4.044 -6.890 -0.577 1.00 . A A . 58 TYR N 1 1 17 16562 1 1 58 TYR O O 2.243 -7.906 -2.390 1.00 . A A . 58 TYR O 1 1 17 16563 1 1 58 TYR OH O 5.033 -7.493 5.983 1.00 . A A . 58 TYR OH 1 1 17 16564 1 1 59 LYS C C -0.592 -9.183 -2.052 1.00 . A A . 59 LYS C 1 1 17 16565 1 1 59 LYS CA C 0.552 -10.177 -1.832 1.00 . A A . 59 LYS CA 1 1 17 16566 1 1 59 LYS CB C -0.023 -11.435 -1.142 1.00 . A A . 59 LYS CB 1 1 17 16567 1 1 59 LYS CD C 0.433 -13.741 -0.143 1.00 . A A . 59 LYS CD 1 1 17 16568 1 1 59 LYS CE C 1.554 -14.621 0.423 1.00 . A A . 59 LYS CE 1 1 17 16569 1 1 59 LYS CG C 0.952 -12.621 -1.060 1.00 . A A . 59 LYS CG 1 1 17 16570 1 1 59 LYS H H 1.887 -10.142 -0.238 1.00 . A A . 59 LYS H 1 1 17 16571 1 1 59 LYS HA H 0.913 -10.449 -2.808 1.00 . A A . 59 LYS HA 1 1 17 16572 1 1 59 LYS HB2 H -0.309 -11.146 -0.106 1.00 . A A . 59 LYS HB2 1 1 17 16573 1 1 59 LYS HB3 H -0.943 -11.773 -1.669 1.00 . A A . 59 LYS HB3 1 1 17 16574 1 1 59 LYS HD2 H -0.077 -13.277 0.732 1.00 . A A . 59 LYS HD2 1 1 17 16575 1 1 59 LYS HD3 H -0.317 -14.361 -0.676 1.00 . A A . 59 LYS HD3 1 1 17 16576 1 1 59 LYS HE2 H 2.288 -13.997 0.976 1.00 . A A . 59 LYS HE2 1 1 17 16577 1 1 59 LYS HE3 H 1.140 -15.391 1.107 1.00 . A A . 59 LYS HE3 1 1 17 16578 1 1 59 LYS HG2 H 1.168 -13.019 -2.073 1.00 . A A . 59 LYS HG2 1 1 17 16579 1 1 59 LYS HG3 H 1.923 -12.285 -0.639 1.00 . A A . 59 LYS HG3 1 1 17 16580 1 1 59 LYS HZ1 H 1.627 -15.949 -1.165 1.00 . A A . 59 LYS HZ1 1 1 17 16581 1 1 59 LYS HZ2 H 3.052 -15.883 -0.243 1.00 . A A . 59 LYS HZ2 1 1 17 16582 1 1 59 LYS HZ3 H 2.678 -14.619 -1.314 1.00 . A A . 59 LYS HZ3 1 1 17 16583 1 1 59 LYS N N 1.683 -9.655 -1.083 1.00 . A A . 59 LYS N 1 1 17 16584 1 1 59 LYS NZ N 2.281 -15.319 -0.654 1.00 . A A . 59 LYS NZ 1 1 17 16585 1 1 59 LYS O O -0.742 -8.178 -1.356 1.00 . A A . 59 LYS O 1 1 17 16586 1 1 60 ALA C C -3.783 -8.744 -2.410 1.00 . A A . 60 ALA C 1 1 17 16587 1 1 60 ALA CA C -2.585 -8.613 -3.345 1.00 . A A . 60 ALA CA 1 1 17 16588 1 1 60 ALA CB C -3.008 -8.883 -4.797 1.00 . A A . 60 ALA CB 1 1 17 16589 1 1 60 ALA H H -1.328 -10.246 -3.626 1.00 . A A . 60 ALA H 1 1 17 16590 1 1 60 ALA HA H -2.261 -7.584 -3.267 1.00 . A A . 60 ALA HA 1 1 17 16591 1 1 60 ALA HB1 H -3.816 -8.194 -5.121 1.00 . A A . 60 ALA HB1 1 1 17 16592 1 1 60 ALA HB2 H -3.340 -9.937 -4.911 1.00 . A A . 60 ALA HB2 1 1 17 16593 1 1 60 ALA HB3 H -2.130 -8.735 -5.464 1.00 . A A . 60 ALA HB3 1 1 17 16594 1 1 60 ALA N N -1.462 -9.460 -3.034 1.00 . A A . 60 ALA N 1 1 17 16595 1 1 60 ALA O O -4.081 -9.787 -1.834 1.00 . A A . 60 ALA O 1 1 17 16596 1 1 61 CYS C C -6.924 -8.061 -1.718 1.00 . A A . 61 CYS C 1 1 17 16597 1 1 61 CYS CA C -5.609 -7.423 -1.312 1.00 . A A . 61 CYS CA 1 1 17 16598 1 1 61 CYS CB C -5.878 -5.904 -1.124 1.00 . A A . 61 CYS CB 1 1 17 16599 1 1 61 CYS H H -4.293 -6.857 -2.841 1.00 . A A . 61 CYS H 1 1 17 16600 1 1 61 CYS HA H -5.325 -7.882 -0.380 1.00 . A A . 61 CYS HA 1 1 17 16601 1 1 61 CYS HB2 H -6.176 -5.477 -2.108 1.00 . A A . 61 CYS HB2 1 1 17 16602 1 1 61 CYS HB3 H -6.723 -5.754 -0.417 1.00 . A A . 61 CYS HB3 1 1 17 16603 1 1 61 CYS N N -4.532 -7.640 -2.266 1.00 . A A . 61 CYS N 1 1 17 16604 1 1 61 CYS O O -7.987 -7.440 -1.714 1.00 . A A . 61 CYS O 1 1 17 16605 1 1 61 CYS SG S -4.463 -4.953 -0.494 1.00 . A A . 61 CYS SG 1 1 17 16606 1 1 62 HIS C C -8.852 -10.662 -1.332 1.00 . A A . 62 HIS C 1 1 17 16607 1 1 62 HIS CA C -8.063 -10.086 -2.496 1.00 . A A . 62 HIS CA 1 1 17 16608 1 1 62 HIS CB C -7.722 -11.210 -3.495 1.00 . A A . 62 HIS CB 1 1 17 16609 1 1 62 HIS CD2 C -6.519 -9.563 -5.124 1.00 . A A . 62 HIS CD2 1 1 17 16610 1 1 62 HIS CE1 C -6.802 -10.720 -6.952 1.00 . A A . 62 HIS CE1 1 1 17 16611 1 1 62 HIS CG C -7.186 -10.698 -4.805 1.00 . A A . 62 HIS CG 1 1 17 16612 1 1 62 HIS H H -5.992 -9.800 -2.020 1.00 . A A . 62 HIS H 1 1 17 16613 1 1 62 HIS HA H -8.730 -9.416 -3.017 1.00 . A A . 62 HIS HA 1 1 17 16614 1 1 62 HIS HB2 H -7.001 -11.923 -3.051 1.00 . A A . 62 HIS HB2 1 1 17 16615 1 1 62 HIS HB3 H -8.649 -11.770 -3.729 1.00 . A A . 62 HIS HB3 1 1 17 16616 1 1 62 HIS HD1 H -7.826 -12.279 -6.057 1.00 . A A . 62 HIS HD1 1 1 17 16617 1 1 62 HIS HD2 H -6.214 -8.733 -4.495 1.00 . A A . 62 HIS HD2 1 1 17 16618 1 1 62 HIS HE1 H -6.804 -11.028 -7.973 1.00 . A A . 62 HIS HE1 1 1 17 16619 1 1 62 HIS HE2 H -5.819 -8.896 -7.013 1.00 . A A . 62 HIS HE2 1 1 17 16620 1 1 62 HIS N N -6.888 -9.349 -2.070 1.00 . A A . 62 HIS N 1 1 17 16621 1 1 62 HIS ND1 N -7.346 -11.408 -5.961 1.00 . A A . 62 HIS ND1 1 1 17 16622 1 1 62 HIS NE2 N -6.288 -9.597 -6.473 1.00 . A A . 62 HIS NE2 1 1 17 16623 1 1 62 HIS O O -8.807 -11.859 -1.051 1.00 . A A . 62 HIS O 1 1 17 16624 1 1 63 ASN C C -11.760 -10.985 -0.414 1.00 . A A . 63 ASN C 1 1 17 16625 1 1 63 ASN CA C -10.659 -10.232 0.297 1.00 . A A . 63 ASN CA 1 1 17 16626 1 1 63 ASN CB C -11.239 -9.092 1.184 1.00 . A A . 63 ASN CB 1 1 17 16627 1 1 63 ASN CG C -11.589 -7.804 0.447 1.00 . A A . 63 ASN CG 1 1 17 16628 1 1 63 ASN H H -9.651 -8.853 -0.886 1.00 . A A . 63 ASN H 1 1 17 16629 1 1 63 ASN HA H -10.219 -10.945 0.961 1.00 . A A . 63 ASN HA 1 1 17 16630 1 1 63 ASN HB2 H -12.169 -9.446 1.672 1.00 . A A . 63 ASN HB2 1 1 17 16631 1 1 63 ASN HB3 H -10.525 -8.879 1.997 1.00 . A A . 63 ASN HB3 1 1 17 16632 1 1 63 ASN HD21 H -9.746 -6.963 0.764 1.00 . A A . 63 ASN HD21 1 1 17 16633 1 1 63 ASN HD22 H -10.869 -6.031 -0.176 1.00 . A A . 63 ASN HD22 1 1 17 16634 1 1 63 ASN N N -9.628 -9.814 -0.628 1.00 . A A . 63 ASN N 1 1 17 16635 1 1 63 ASN ND2 N -10.636 -6.858 0.319 1.00 . A A . 63 ASN ND2 1 1 17 16636 1 1 63 ASN O O -11.987 -12.178 -0.251 1.00 . A A . 63 ASN O 1 1 17 16637 1 1 63 ASN OD1 O -12.725 -7.639 -0.011 1.00 . A A . 63 ASN OD1 1 1 17 16638 1 1 64 SER C C -13.192 -11.168 -3.357 1.00 . A A . 64 SER C 1 1 17 16639 1 1 64 SER CA C -13.616 -10.710 -1.988 1.00 . A A . 64 SER CA 1 1 17 16640 1 1 64 SER CB C -14.645 -9.565 -2.155 1.00 . A A . 64 SER CB 1 1 17 16641 1 1 64 SER H H -12.144 -9.306 -1.411 1.00 . A A . 64 SER H 1 1 17 16642 1 1 64 SER HA H -14.085 -11.534 -1.465 1.00 . A A . 64 SER HA 1 1 17 16643 1 1 64 SER HB2 H -14.191 -8.729 -2.737 1.00 . A A . 64 SER HB2 1 1 17 16644 1 1 64 SER HB3 H -15.543 -9.936 -2.701 1.00 . A A . 64 SER HB3 1 1 17 16645 1 1 64 SER HG H -14.281 -8.587 -0.508 1.00 . A A . 64 SER HG 1 1 17 16646 1 1 64 SER N N -12.452 -10.252 -1.273 1.00 . A A . 64 SER N 1 1 17 16647 1 1 64 SER O O -13.115 -10.374 -4.294 1.00 . A A . 64 SER O 1 1 17 16648 1 1 64 SER OG O -15.054 -9.056 -0.885 1.00 . A A . 64 SER OG 1 1 17 16649 1 1 65 GLU C C -13.527 -12.806 -5.894 1.00 . A A . 65 GLU C 1 1 17 16650 1 1 65 GLU CA C -12.485 -13.039 -4.812 1.00 . A A . 65 GLU CA 1 1 17 16651 1 1 65 GLU CB C -12.155 -14.550 -4.714 1.00 . A A . 65 GLU CB 1 1 17 16652 1 1 65 GLU CD C -9.911 -14.583 -5.933 1.00 . A A . 65 GLU CD 1 1 17 16653 1 1 65 GLU CG C -11.349 -15.085 -5.925 1.00 . A A . 65 GLU CG 1 1 17 16654 1 1 65 GLU H H -12.911 -13.079 -2.738 1.00 . A A . 65 GLU H 1 1 17 16655 1 1 65 GLU HA H -11.606 -12.508 -5.132 1.00 . A A . 65 GLU HA 1 1 17 16656 1 1 65 GLU HB2 H -11.568 -14.745 -3.790 1.00 . A A . 65 GLU HB2 1 1 17 16657 1 1 65 GLU HB3 H -13.088 -15.148 -4.624 1.00 . A A . 65 GLU HB3 1 1 17 16658 1 1 65 GLU HE2 H -9.687 -15.785 -4.416 1.00 . A A . 65 GLU HE2 1 1 17 16659 1 1 65 GLU HG2 H -11.327 -16.194 -5.897 1.00 . A A . 65 GLU HG2 1 1 17 16660 1 1 65 GLU HG3 H -11.824 -14.777 -6.879 1.00 . A A . 65 GLU HG3 1 1 17 16661 1 1 65 GLU N N -12.875 -12.469 -3.525 1.00 . A A . 65 GLU N 1 1 17 16662 1 1 65 GLU O O -13.236 -12.377 -7.007 1.00 . A A . 65 GLU O 1 1 17 16663 1 1 65 GLU OE1 O -9.431 -13.779 -6.710 1.00 . A A . 65 GLU OE1 1 1 17 16664 1 1 65 GLU OE2 O -9.179 -15.126 -4.913 1.00 . A A . 65 GLU OE2 1 1 17 16665 1 1 66 ILE C C -17.110 -12.654 -5.353 1.00 . A A . 66 ILE C 1 1 17 16666 1 1 66 ILE CA C -15.966 -12.858 -6.320 1.00 . A A . 66 ILE CA 1 1 17 16667 1 1 66 ILE CB C -16.312 -14.075 -7.193 1.00 . A A . 66 ILE CB 1 1 17 16668 1 1 66 ILE CD1 C -16.953 -16.576 -7.173 1.00 . A A . 66 ILE CD1 1 1 17 16669 1 1 66 ILE CG1 C -16.327 -15.407 -6.404 1.00 . A A . 66 ILE CG1 1 1 17 16670 1 1 66 ILE CG2 C -15.340 -14.151 -8.386 1.00 . A A . 66 ILE CG2 1 1 17 16671 1 1 66 ILE H H -14.987 -13.255 -4.566 1.00 . A A . 66 ILE H 1 1 17 16672 1 1 66 ILE HA H -15.873 -11.965 -6.916 1.00 . A A . 66 ILE HA 1 1 17 16673 1 1 66 ILE HB H -17.331 -13.912 -7.606 1.00 . A A . 66 ILE HB 1 1 17 16674 1 1 66 ILE HD11 H -16.922 -17.496 -6.550 1.00 . A A . 66 ILE HD11 1 1 17 16675 1 1 66 ILE HD12 H -16.404 -16.783 -8.115 1.00 . A A . 66 ILE HD12 1 1 17 16676 1 1 66 ILE HD13 H -18.018 -16.368 -7.407 1.00 . A A . 66 ILE HD13 1 1 17 16677 1 1 66 ILE HG12 H -15.284 -15.677 -6.126 1.00 . A A . 66 ILE HG12 1 1 17 16678 1 1 66 ILE HG13 H -16.903 -15.278 -5.459 1.00 . A A . 66 ILE HG13 1 1 17 16679 1 1 66 ILE HG21 H -14.320 -14.410 -8.034 1.00 . A A . 66 ILE HG21 1 1 17 16680 1 1 66 ILE HG22 H -15.293 -13.174 -8.907 1.00 . A A . 66 ILE HG22 1 1 17 16681 1 1 66 ILE HG23 H -15.649 -14.925 -9.117 1.00 . A A . 66 ILE HG23 1 1 17 16682 1 1 66 ILE N N -14.789 -13.015 -5.510 1.00 . A A . 66 ILE N 1 1 17 16683 1 1 66 ILE O O -16.979 -12.880 -4.152 1.00 . A A . 66 ILE O 1 1 17 16684 1 1 67 GLU C C -20.323 -13.501 -5.352 1.00 . A A . 67 GLU C 1 1 17 16685 1 1 67 GLU CA C -19.517 -12.203 -5.107 1.00 . A A . 67 GLU CA 1 1 17 16686 1 1 67 GLU CB C -20.384 -10.955 -5.443 1.00 . A A . 67 GLU CB 1 1 17 16687 1 1 67 GLU CD C -20.234 -11.013 -8.022 1.00 . A A . 67 GLU CD 1 1 17 16688 1 1 67 GLU CG C -21.144 -10.933 -6.798 1.00 . A A . 67 GLU CG 1 1 17 16689 1 1 67 GLU H H -18.383 -12.078 -6.843 1.00 . A A . 67 GLU H 1 1 17 16690 1 1 67 GLU HA H -19.281 -12.164 -4.050 1.00 . A A . 67 GLU HA 1 1 17 16691 1 1 67 GLU HB2 H -21.155 -10.873 -4.642 1.00 . A A . 67 GLU HB2 1 1 17 16692 1 1 67 GLU HB3 H -19.734 -10.056 -5.372 1.00 . A A . 67 GLU HB3 1 1 17 16693 1 1 67 GLU HE2 H -20.222 -12.970 -7.687 1.00 . A A . 67 GLU HE2 1 1 17 16694 1 1 67 GLU HG2 H -21.881 -11.762 -6.840 1.00 . A A . 67 GLU HG2 1 1 17 16695 1 1 67 GLU HG3 H -21.707 -9.977 -6.870 1.00 . A A . 67 GLU HG3 1 1 17 16696 1 1 67 GLU N N -18.281 -12.239 -5.866 1.00 . A A . 67 GLU N 1 1 17 16697 1 1 67 GLU O O -20.762 -14.122 -4.350 1.00 . A A . 67 GLU O 1 1 17 16698 1 1 67 GLU OXT O -20.514 -13.876 -6.544 1.00 . A A . 67 GLU OXT 1 1 17 16699 1 1 67 GLU OE1 O -19.805 -10.060 -8.641 1.00 . A A . 67 GLU OE1 1 1 17 16700 1 1 67 GLU OE2 O -19.911 -12.309 -8.369 1.00 . A A . 67 GLU OE2 1 1 17 16701 2 2 1 CL CL CL -0.358 -18.348 -0.977 1.00 . B A . 68 CL CL 1 1 17 16702 3 2 1 CL CL CL -1.475 -5.219 16.891 1.00 . C A . 69 CL CL 1 1 17 16703 4 2 1 CL CL CL -6.123 -5.920 7.187 1.00 . D A . 70 CL CL 1 1 17 16704 5 2 1 CL CL CL -7.216 -5.704 11.894 1.00 . E A . 71 CL CL 1 1 17 16705 6 2 1 CL CL CL -0.895 6.811 11.061 1.00 . F A . 72 CL CL 1 1 17 16706 7 2 1 CL CL CL 17.322 -1.191 1.431 1.00 . G A . 73 CL CL 1 1 17 16707 8 2 1 CL CL CL -6.722 -5.797 -9.864 1.00 . H A . 74 CL CL 1 1 17 16708 9 2 1 CL CL CL 3.459 8.384 -6.481 1.00 . I A . 75 CL CL 1 1 17 16709 10 2 1 CL CL CL 6.901 4.859 8.354 1.00 . J A . 76 CL CL 1 1 17 16710 11 2 1 CL CL CL 3.720 15.258 4.079 1.00 . K A . 77 CL CL 1 1 17 16711 12 2 1 CL CL CL 0.219 -13.114 10.670 1.00 . L A . 78 CL CL 1 1 18 16712 1 1 1 GLY C C -5.860 -20.122 5.165 1.00 . A A . 1 GLY C 1 1 18 16713 1 1 1 GLY CA C -6.275 -21.066 6.248 1.00 . A A . 1 GLY CA 1 1 18 16714 1 1 1 GLY H1 H -6.614 -23.087 6.550 1.00 . A A . 1 GLY H1 1 1 18 16715 1 1 1 GLY H2 H -5.193 -22.749 5.678 1.00 . A A . 1 GLY H2 1 1 18 16716 1 1 1 GLY H3 H -6.713 -22.608 4.927 1.00 . A A . 1 GLY H3 1 1 18 16717 1 1 1 GLY HA2 H -7.310 -20.884 6.494 1.00 . A A . 1 GLY HA2 1 1 18 16718 1 1 1 GLY HA3 H -5.602 -20.953 7.085 1.00 . A A . 1 GLY HA3 1 1 18 16719 1 1 1 GLY N N -6.189 -22.483 5.817 1.00 . A A . 1 GLY N 1 1 18 16720 1 1 1 GLY O O -4.987 -20.403 4.345 1.00 . A A . 1 GLY O 1 1 18 16721 1 1 2 ASP C C -6.703 -16.603 4.728 1.00 . A A . 2 ASP C 1 1 18 16722 1 1 2 ASP CA C -6.301 -17.923 4.107 1.00 . A A . 2 ASP CA 1 1 18 16723 1 1 2 ASP CB C -7.244 -18.155 2.896 1.00 . A A . 2 ASP CB 1 1 18 16724 1 1 2 ASP CG C -6.865 -19.419 2.173 1.00 . A A . 2 ASP CG 1 1 18 16725 1 1 2 ASP H H -7.193 -18.747 5.823 1.00 . A A . 2 ASP H 1 1 18 16726 1 1 2 ASP HA H -5.261 -17.840 3.819 1.00 . A A . 2 ASP HA 1 1 18 16727 1 1 2 ASP HB2 H -8.302 -18.209 3.229 1.00 . A A . 2 ASP HB2 1 1 18 16728 1 1 2 ASP HB3 H -7.141 -17.320 2.170 1.00 . A A . 2 ASP HB3 1 1 18 16729 1 1 2 ASP HD2 H -7.476 -21.170 1.761 1.00 . A A . 2 ASP HD2 1 1 18 16730 1 1 2 ASP N N -6.467 -18.928 5.143 1.00 . A A . 2 ASP N 1 1 18 16731 1 1 2 ASP O O -7.511 -15.842 4.205 1.00 . A A . 2 ASP O 1 1 18 16732 1 1 2 ASP OD1 O -5.823 -19.603 1.573 1.00 . A A . 2 ASP OD1 1 1 18 16733 1 1 2 ASP OD2 O -7.813 -20.404 2.256 1.00 . A A . 2 ASP OD2 1 1 18 16734 1 1 3 ASP C C -5.231 -14.840 7.543 1.00 . A A . 3 ASP C 1 1 18 16735 1 1 3 ASP CA C -6.422 -15.125 6.646 1.00 . A A . 3 ASP CA 1 1 18 16736 1 1 3 ASP CB C -7.735 -15.278 7.449 1.00 . A A . 3 ASP CB 1 1 18 16737 1 1 3 ASP CG C -8.219 -13.938 7.951 1.00 . A A . 3 ASP CG 1 1 18 16738 1 1 3 ASP H H -5.457 -16.925 6.292 1.00 . A A . 3 ASP H 1 1 18 16739 1 1 3 ASP HA H -6.505 -14.310 5.940 1.00 . A A . 3 ASP HA 1 1 18 16740 1 1 3 ASP HB2 H -8.509 -15.682 6.763 1.00 . A A . 3 ASP HB2 1 1 18 16741 1 1 3 ASP HB3 H -7.606 -15.982 8.294 1.00 . A A . 3 ASP HB3 1 1 18 16742 1 1 3 ASP HD2 H -9.754 -13.064 8.614 1.00 . A A . 3 ASP HD2 1 1 18 16743 1 1 3 ASP N N -6.134 -16.317 5.904 1.00 . A A . 3 ASP N 1 1 18 16744 1 1 3 ASP O O -4.967 -15.525 8.534 1.00 . A A . 3 ASP O 1 1 18 16745 1 1 3 ASP OD1 O -7.587 -12.901 7.946 1.00 . A A . 3 ASP OD1 1 1 18 16746 1 1 3 ASP OD2 O -9.500 -13.988 8.426 1.00 . A A . 3 ASP OD2 1 1 18 16747 1 1 4 VAL C C -3.582 -11.890 8.186 1.00 . A A . 4 VAL C 1 1 18 16748 1 1 4 VAL CA C -3.299 -13.346 7.886 1.00 . A A . 4 VAL CA 1 1 18 16749 1 1 4 VAL CB C -2.047 -13.465 7.018 1.00 . A A . 4 VAL CB 1 1 18 16750 1 1 4 VAL CG1 C -0.761 -13.379 7.853 1.00 . A A . 4 VAL CG1 1 1 18 16751 1 1 4 VAL CG2 C -2.039 -14.813 6.271 1.00 . A A . 4 VAL CG2 1 1 18 16752 1 1 4 VAL H H -4.693 -13.291 6.358 1.00 . A A . 4 VAL H 1 1 18 16753 1 1 4 VAL HA H -3.173 -13.873 8.819 1.00 . A A . 4 VAL HA 1 1 18 16754 1 1 4 VAL HB H -2.047 -12.655 6.253 1.00 . A A . 4 VAL HB 1 1 18 16755 1 1 4 VAL HG11 H -0.765 -14.148 8.656 1.00 . A A . 4 VAL HG11 1 1 18 16756 1 1 4 VAL HG12 H -0.611 -12.377 8.299 1.00 . A A . 4 VAL HG12 1 1 18 16757 1 1 4 VAL HG13 H 0.119 -13.577 7.201 1.00 . A A . 4 VAL HG13 1 1 18 16758 1 1 4 VAL HG21 H -2.163 -15.659 6.976 1.00 . A A . 4 VAL HG21 1 1 18 16759 1 1 4 VAL HG22 H -1.065 -14.944 5.750 1.00 . A A . 4 VAL HG22 1 1 18 16760 1 1 4 VAL HG23 H -2.835 -14.858 5.500 1.00 . A A . 4 VAL HG23 1 1 18 16761 1 1 4 VAL N N -4.461 -13.820 7.175 1.00 . A A . 4 VAL N 1 1 18 16762 1 1 4 VAL O O -4.378 -11.253 7.501 1.00 . A A . 4 VAL O 1 1 18 16763 1 1 5 LYS C C -1.888 -9.115 8.935 1.00 . A A . 5 LYS C 1 1 18 16764 1 1 5 LYS CA C -3.076 -9.877 9.488 1.00 . A A . 5 LYS CA 1 1 18 16765 1 1 5 LYS CB C -3.204 -9.662 11.007 1.00 . A A . 5 LYS CB 1 1 18 16766 1 1 5 LYS CD C -4.766 -9.919 13.021 1.00 . A A . 5 LYS CD 1 1 18 16767 1 1 5 LYS CE C -6.061 -10.554 13.544 1.00 . A A . 5 LYS CE 1 1 18 16768 1 1 5 LYS CG C -4.449 -10.352 11.582 1.00 . A A . 5 LYS CG 1 1 18 16769 1 1 5 LYS H H -2.303 -11.766 9.793 1.00 . A A . 5 LYS H 1 1 18 16770 1 1 5 LYS HA H -3.947 -9.473 9.002 1.00 . A A . 5 LYS HA 1 1 18 16771 1 1 5 LYS HB2 H -2.294 -10.051 11.510 1.00 . A A . 5 LYS HB2 1 1 18 16772 1 1 5 LYS HB3 H -3.267 -8.574 11.218 1.00 . A A . 5 LYS HB3 1 1 18 16773 1 1 5 LYS HD2 H -3.917 -10.198 13.685 1.00 . A A . 5 LYS HD2 1 1 18 16774 1 1 5 LYS HD3 H -4.869 -8.809 13.045 1.00 . A A . 5 LYS HD3 1 1 18 16775 1 1 5 LYS HE2 H -6.909 -10.320 12.868 1.00 . A A . 5 LYS HE2 1 1 18 16776 1 1 5 LYS HE3 H -5.947 -11.655 13.622 1.00 . A A . 5 LYS HE3 1 1 18 16777 1 1 5 LYS HG2 H -5.318 -10.103 10.934 1.00 . A A . 5 LYS HG2 1 1 18 16778 1 1 5 LYS HG3 H -4.318 -11.456 11.540 1.00 . A A . 5 LYS HG3 1 1 18 16779 1 1 5 LYS HZ1 H -6.522 -9.005 14.841 1.00 . A A . 5 LYS HZ1 1 1 18 16780 1 1 5 LYS HZ2 H -5.639 -10.269 15.555 1.00 . A A . 5 LYS HZ2 1 1 18 16781 1 1 5 LYS HZ3 H -7.290 -10.477 15.208 1.00 . A A . 5 LYS HZ3 1 1 18 16782 1 1 5 LYS N N -2.946 -11.284 9.196 1.00 . A A . 5 LYS N 1 1 18 16783 1 1 5 LYS NZ N -6.403 -10.037 14.887 1.00 . A A . 5 LYS NZ 1 1 18 16784 1 1 5 LYS O O -1.484 -8.078 9.444 1.00 . A A . 5 LYS O 1 1 18 16785 1 1 6 SER C C -0.922 -7.709 6.287 1.00 . A A . 6 SER C 1 1 18 16786 1 1 6 SER CA C -0.375 -8.964 6.947 1.00 . A A . 6 SER CA 1 1 18 16787 1 1 6 SER CB C 0.172 -9.903 5.835 1.00 . A A . 6 SER CB 1 1 18 16788 1 1 6 SER H H -1.622 -10.544 7.598 1.00 . A A . 6 SER H 1 1 18 16789 1 1 6 SER HA H 0.461 -8.635 7.547 1.00 . A A . 6 SER HA 1 1 18 16790 1 1 6 SER HB2 H -0.671 -10.377 5.285 1.00 . A A . 6 SER HB2 1 1 18 16791 1 1 6 SER HB3 H 0.789 -9.344 5.096 1.00 . A A . 6 SER HB3 1 1 18 16792 1 1 6 SER HG H 1.246 -11.547 5.713 1.00 . A A . 6 SER HG 1 1 18 16793 1 1 6 SER N N -1.299 -9.639 7.854 1.00 . A A . 6 SER N 1 1 18 16794 1 1 6 SER O O -2.127 -7.508 6.154 1.00 . A A . 6 SER O 1 1 18 16795 1 1 6 SER OG O 0.999 -10.908 6.423 1.00 . A A . 6 SER OG 1 1 18 16796 1 1 7 ALA C C -0.465 -6.366 3.442 1.00 . A A . 7 ALA C 1 1 18 16797 1 1 7 ALA CA C -0.426 -5.784 4.856 1.00 . A A . 7 ALA CA 1 1 18 16798 1 1 7 ALA CB C 0.566 -4.602 4.959 1.00 . A A . 7 ALA CB 1 1 18 16799 1 1 7 ALA H H 0.931 -6.919 5.990 1.00 . A A . 7 ALA H 1 1 18 16800 1 1 7 ALA HA H -1.427 -5.438 5.072 1.00 . A A . 7 ALA HA 1 1 18 16801 1 1 7 ALA HB1 H 0.574 -4.206 5.995 1.00 . A A . 7 ALA HB1 1 1 18 16802 1 1 7 ALA HB2 H 0.305 -3.780 4.262 1.00 . A A . 7 ALA HB2 1 1 18 16803 1 1 7 ALA HB3 H 1.595 -4.952 4.731 1.00 . A A . 7 ALA HB3 1 1 18 16804 1 1 7 ALA N N -0.043 -6.809 5.808 1.00 . A A . 7 ALA N 1 1 18 16805 1 1 7 ALA O O 0.018 -7.465 3.193 1.00 . A A . 7 ALA O 1 1 18 16806 1 1 8 CYS C C -1.015 -5.084 0.093 1.00 . A A . 8 CYS C 1 1 18 16807 1 1 8 CYS CA C -1.278 -6.164 1.134 1.00 . A A . 8 CYS CA 1 1 18 16808 1 1 8 CYS CB C -2.714 -6.723 0.989 1.00 . A A . 8 CYS CB 1 1 18 16809 1 1 8 CYS H H -1.495 -4.762 2.659 1.00 . A A . 8 CYS H 1 1 18 16810 1 1 8 CYS HA H -0.578 -6.964 0.933 1.00 . A A . 8 CYS HA 1 1 18 16811 1 1 8 CYS HB2 H -2.791 -7.253 0.015 1.00 . A A . 8 CYS HB2 1 1 18 16812 1 1 8 CYS HB3 H -2.870 -7.484 1.788 1.00 . A A . 8 CYS HB3 1 1 18 16813 1 1 8 CYS N N -1.075 -5.644 2.476 1.00 . A A . 8 CYS N 1 1 18 16814 1 1 8 CYS O O -0.984 -3.901 0.432 1.00 . A A . 8 CYS O 1 1 18 16815 1 1 8 CYS SG S -4.009 -5.443 1.130 1.00 . A A . 8 CYS SG 1 1 18 16816 1 1 9 CYS C C -0.765 -5.170 -3.610 1.00 . A A . 9 CYS C 1 1 18 16817 1 1 9 CYS CA C -0.561 -4.495 -2.255 1.00 . A A . 9 CYS CA 1 1 18 16818 1 1 9 CYS CB C 0.900 -3.975 -2.187 1.00 . A A . 9 CYS CB 1 1 18 16819 1 1 9 CYS H H -0.727 -6.431 -1.456 1.00 . A A . 9 CYS H 1 1 18 16820 1 1 9 CYS HA H -1.269 -3.684 -2.163 1.00 . A A . 9 CYS HA 1 1 18 16821 1 1 9 CYS HB2 H 1.402 -4.438 -1.310 1.00 . A A . 9 CYS HB2 1 1 18 16822 1 1 9 CYS HB3 H 1.416 -4.353 -3.100 1.00 . A A . 9 CYS HB3 1 1 18 16823 1 1 9 CYS N N -0.794 -5.456 -1.193 1.00 . A A . 9 CYS N 1 1 18 16824 1 1 9 CYS O O -0.323 -6.290 -3.823 1.00 . A A . 9 CYS O 1 1 18 16825 1 1 9 CYS SG S 1.043 -2.163 -2.116 1.00 . A A . 9 CYS SG 1 1 18 16826 1 1 10 ASP C C -0.311 -4.607 -6.836 1.00 . A A . 10 ASP C 1 1 18 16827 1 1 10 ASP CA C -1.478 -5.026 -5.954 1.00 . A A . 10 ASP CA 1 1 18 16828 1 1 10 ASP CB C -2.773 -4.570 -6.658 1.00 . A A . 10 ASP CB 1 1 18 16829 1 1 10 ASP CG C -3.941 -5.397 -6.167 1.00 . A A . 10 ASP CG 1 1 18 16830 1 1 10 ASP H H -1.859 -3.638 -4.438 1.00 . A A . 10 ASP H 1 1 18 16831 1 1 10 ASP HA H -1.446 -6.107 -5.942 1.00 . A A . 10 ASP HA 1 1 18 16832 1 1 10 ASP HB2 H -2.961 -3.502 -6.488 1.00 . A A . 10 ASP HB2 1 1 18 16833 1 1 10 ASP HB3 H -2.679 -4.690 -7.751 1.00 . A A . 10 ASP HB3 1 1 18 16834 1 1 10 ASP HD2 H -5.399 -6.415 -6.847 1.00 . A A . 10 ASP HD2 1 1 18 16835 1 1 10 ASP N N -1.410 -4.508 -4.594 1.00 . A A . 10 ASP N 1 1 18 16836 1 1 10 ASP O O 0.171 -5.398 -7.643 1.00 . A A . 10 ASP O 1 1 18 16837 1 1 10 ASP OD1 O -4.161 -5.726 -5.016 1.00 . A A . 10 ASP OD1 1 1 18 16838 1 1 10 ASP OD2 O -4.751 -5.796 -7.192 1.00 . A A . 10 ASP OD2 1 1 18 16839 1 1 11 THR C C 1.671 -1.560 -7.074 1.00 . A A . 11 THR C 1 1 18 16840 1 1 11 THR CA C 0.958 -2.704 -7.743 1.00 . A A . 11 THR CA 1 1 18 16841 1 1 11 THR CB C 0.073 -2.118 -8.847 1.00 . A A . 11 THR CB 1 1 18 16842 1 1 11 THR CG2 C 0.828 -1.252 -9.861 1.00 . A A . 11 THR CG2 1 1 18 16843 1 1 11 THR H H -0.255 -2.721 -6.070 1.00 . A A . 11 THR H 1 1 18 16844 1 1 11 THR HA H 1.702 -3.384 -8.130 1.00 . A A . 11 THR HA 1 1 18 16845 1 1 11 THR HB H -0.730 -1.510 -8.361 1.00 . A A . 11 THR HB 1 1 18 16846 1 1 11 THR HG1 H -1.333 -2.851 -9.992 1.00 . A A . 11 THR HG1 1 1 18 16847 1 1 11 THR HG21 H 1.224 -0.329 -9.387 1.00 . A A . 11 THR HG21 1 1 18 16848 1 1 11 THR HG22 H 0.146 -0.937 -10.679 1.00 . A A . 11 THR HG22 1 1 18 16849 1 1 11 THR HG23 H 1.669 -1.822 -10.309 1.00 . A A . 11 THR HG23 1 1 18 16850 1 1 11 THR N N 0.139 -3.346 -6.729 1.00 . A A . 11 THR N 1 1 18 16851 1 1 11 THR O O 1.121 -0.834 -6.240 1.00 . A A . 11 THR O 1 1 18 16852 1 1 11 THR OG1 O -0.508 -3.176 -9.589 1.00 . A A . 11 THR OG1 1 1 18 16853 1 1 12 CYS C C 4.924 0.085 -7.369 1.00 . A A . 12 CYS C 1 1 18 16854 1 1 12 CYS CA C 3.789 -0.517 -6.610 1.00 . A A . 12 CYS CA 1 1 18 16855 1 1 12 CYS CB C 4.351 -1.344 -5.415 1.00 . A A . 12 CYS CB 1 1 18 16856 1 1 12 CYS H H 3.412 -1.949 -8.042 1.00 . A A . 12 CYS H 1 1 18 16857 1 1 12 CYS HA H 3.223 0.315 -6.234 1.00 . A A . 12 CYS HA 1 1 18 16858 1 1 12 CYS HB2 H 4.765 -0.630 -4.670 1.00 . A A . 12 CYS HB2 1 1 18 16859 1 1 12 CYS HB3 H 3.480 -1.873 -4.978 1.00 . A A . 12 CYS HB3 1 1 18 16860 1 1 12 CYS N N 2.940 -1.325 -7.436 1.00 . A A . 12 CYS N 1 1 18 16861 1 1 12 CYS O O 5.517 -0.503 -8.271 1.00 . A A . 12 CYS O 1 1 18 16862 1 1 12 CYS SG S 5.601 -2.628 -5.738 1.00 . A A . 12 CYS SG 1 1 18 16863 1 1 13 LEU C C 7.468 1.815 -6.754 1.00 . A A . 13 LEU C 1 1 18 16864 1 1 13 LEU CA C 6.252 2.154 -7.552 1.00 . A A . 13 LEU CA 1 1 18 16865 1 1 13 LEU CB C 5.886 3.652 -7.453 1.00 . A A . 13 LEU CB 1 1 18 16866 1 1 13 LEU CD1 C 6.355 5.913 -8.444 1.00 . A A . 13 LEU CD1 1 1 18 16867 1 1 13 LEU CD2 C 7.864 5.092 -6.636 1.00 . A A . 13 LEU CD2 1 1 18 16868 1 1 13 LEU CG C 6.992 4.663 -7.831 1.00 . A A . 13 LEU CG 1 1 18 16869 1 1 13 LEU H H 4.728 1.748 -6.224 1.00 . A A . 13 LEU H 1 1 18 16870 1 1 13 LEU HA H 6.449 1.898 -8.581 1.00 . A A . 13 LEU HA 1 1 18 16871 1 1 13 LEU HB2 H 5.037 3.799 -8.157 1.00 . A A . 13 LEU HB2 1 1 18 16872 1 1 13 LEU HB3 H 5.499 3.882 -6.438 1.00 . A A . 13 LEU HB3 1 1 18 16873 1 1 13 LEU HD11 H 5.762 5.644 -9.343 1.00 . A A . 13 LEU HD11 1 1 18 16874 1 1 13 LEU HD12 H 7.135 6.644 -8.746 1.00 . A A . 13 LEU HD12 1 1 18 16875 1 1 13 LEU HD13 H 5.684 6.399 -7.707 1.00 . A A . 13 LEU HD13 1 1 18 16876 1 1 13 LEU HD21 H 8.402 4.236 -6.186 1.00 . A A . 13 LEU HD21 1 1 18 16877 1 1 13 LEU HD22 H 7.230 5.565 -5.855 1.00 . A A . 13 LEU HD22 1 1 18 16878 1 1 13 LEU HD23 H 8.617 5.838 -6.970 1.00 . A A . 13 LEU HD23 1 1 18 16879 1 1 13 LEU HG H 7.644 4.203 -8.612 1.00 . A A . 13 LEU HG 1 1 18 16880 1 1 13 LEU N N 5.185 1.352 -7.021 1.00 . A A . 13 LEU N 1 1 18 16881 1 1 13 LEU O O 7.382 1.676 -5.537 1.00 . A A . 13 LEU O 1 1 18 16882 1 1 14 CYS C C 10.979 1.983 -7.461 1.00 . A A . 14 CYS C 1 1 18 16883 1 1 14 CYS CA C 9.840 1.292 -6.779 1.00 . A A . 14 CYS CA 1 1 18 16884 1 1 14 CYS CB C 10.095 -0.224 -6.849 1.00 . A A . 14 CYS CB 1 1 18 16885 1 1 14 CYS H H 8.638 1.736 -8.414 1.00 . A A . 14 CYS H 1 1 18 16886 1 1 14 CYS HA H 9.850 1.630 -5.763 1.00 . A A . 14 CYS HA 1 1 18 16887 1 1 14 CYS HB2 H 9.924 -0.553 -7.893 1.00 . A A . 14 CYS HB2 1 1 18 16888 1 1 14 CYS HB3 H 11.160 -0.423 -6.631 1.00 . A A . 14 CYS HB3 1 1 18 16889 1 1 14 CYS N N 8.616 1.680 -7.417 1.00 . A A . 14 CYS N 1 1 18 16890 1 1 14 CYS O O 11.118 2.002 -8.681 1.00 . A A . 14 CYS O 1 1 18 16891 1 1 14 CYS SG S 9.091 -1.214 -5.697 1.00 . A A . 14 CYS SG 1 1 18 16892 1 1 15 THR C C 14.163 2.534 -7.405 1.00 . A A . 15 THR C 1 1 18 16893 1 1 15 THR CA C 12.948 3.386 -7.129 1.00 . A A . 15 THR CA 1 1 18 16894 1 1 15 THR CB C 13.358 4.517 -6.198 1.00 . A A . 15 THR CB 1 1 18 16895 1 1 15 THR CG2 C 12.172 5.480 -6.064 1.00 . A A . 15 THR CG2 1 1 18 16896 1 1 15 THR H H 11.688 2.571 -5.648 1.00 . A A . 15 THR H 1 1 18 16897 1 1 15 THR HA H 12.670 3.860 -8.059 1.00 . A A . 15 THR HA 1 1 18 16898 1 1 15 THR HB H 14.219 5.063 -6.654 1.00 . A A . 15 THR HB 1 1 18 16899 1 1 15 THR HG1 H 13.991 4.890 -4.427 1.00 . A A . 15 THR HG1 1 1 18 16900 1 1 15 THR HG21 H 11.311 4.983 -5.569 1.00 . A A . 15 THR HG21 1 1 18 16901 1 1 15 THR HG22 H 11.851 5.819 -7.073 1.00 . A A . 15 THR HG22 1 1 18 16902 1 1 15 THR HG23 H 12.457 6.371 -5.466 1.00 . A A . 15 THR HG23 1 1 18 16903 1 1 15 THR N N 11.829 2.608 -6.643 1.00 . A A . 15 THR N 1 1 18 16904 1 1 15 THR O O 14.457 1.563 -6.714 1.00 . A A . 15 THR O 1 1 18 16905 1 1 15 THR OG1 O 13.697 4.072 -4.885 1.00 . A A . 15 THR OG1 1 1 18 16906 1 1 16 ARG C C 17.341 3.146 -7.896 1.00 . A A . 16 ARG C 1 1 18 16907 1 1 16 ARG CA C 16.273 2.419 -8.708 1.00 . A A . 16 ARG CA 1 1 18 16908 1 1 16 ARG CB C 16.574 2.461 -10.219 1.00 . A A . 16 ARG CB 1 1 18 16909 1 1 16 ARG CD C 15.960 1.487 -12.499 1.00 . A A . 16 ARG CD 1 1 18 16910 1 1 16 ARG CG C 15.701 1.467 -10.994 1.00 . A A . 16 ARG CG 1 1 18 16911 1 1 16 ARG CZ C 15.511 -0.847 -13.349 1.00 . A A . 16 ARG CZ 1 1 18 16912 1 1 16 ARG H H 14.642 3.699 -8.984 1.00 . A A . 16 ARG H 1 1 18 16913 1 1 16 ARG HA H 16.322 1.387 -8.389 1.00 . A A . 16 ARG HA 1 1 18 16914 1 1 16 ARG HB2 H 16.419 3.488 -10.610 1.00 . A A . 16 ARG HB2 1 1 18 16915 1 1 16 ARG HB3 H 17.633 2.172 -10.405 1.00 . A A . 16 ARG HB3 1 1 18 16916 1 1 16 ARG HD2 H 15.655 2.465 -12.927 1.00 . A A . 16 ARG HD2 1 1 18 16917 1 1 16 ARG HD3 H 17.025 1.302 -12.741 1.00 . A A . 16 ARG HD3 1 1 18 16918 1 1 16 ARG HE H 14.162 0.680 -13.358 1.00 . A A . 16 ARG HE 1 1 18 16919 1 1 16 ARG HG2 H 15.927 0.451 -10.599 1.00 . A A . 16 ARG HG2 1 1 18 16920 1 1 16 ARG HG3 H 14.626 1.679 -10.802 1.00 . A A . 16 ARG HG3 1 1 18 16921 1 1 16 ARG HH11 H 17.439 -0.627 -12.676 1.00 . A A . 16 ARG HH11 1 1 18 16922 1 1 16 ARG HH12 H 17.033 -2.217 -13.241 1.00 . A A . 16 ARG HH12 1 1 18 16923 1 1 16 ARG HH21 H 13.700 -1.421 -14.120 1.00 . A A . 16 ARG HH21 1 1 18 16924 1 1 16 ARG HH22 H 14.899 -2.671 -14.071 1.00 . A A . 16 ARG HH22 1 1 18 16925 1 1 16 ARG N N 14.928 2.908 -8.443 1.00 . A A . 16 ARG N 1 1 18 16926 1 1 16 ARG NE N 15.104 0.438 -13.126 1.00 . A A . 16 ARG NE 1 1 18 16927 1 1 16 ARG NH1 N 16.772 -1.269 -13.055 1.00 . A A . 16 ARG NH1 1 1 18 16928 1 1 16 ARG NH2 N 14.626 -1.726 -13.894 1.00 . A A . 16 ARG NH2 1 1 18 16929 1 1 16 ARG O O 18.512 3.186 -8.261 1.00 . A A . 16 ARG O 1 1 18 16930 1 1 17 SER C C 18.717 3.481 -5.040 1.00 . A A . 17 SER C 1 1 18 16931 1 1 17 SER CA C 17.777 4.428 -5.787 1.00 . A A . 17 SER CA 1 1 18 16932 1 1 17 SER CB C 16.953 5.290 -4.783 1.00 . A A . 17 SER CB 1 1 18 16933 1 1 17 SER H H 15.968 3.665 -6.573 1.00 . A A . 17 SER H 1 1 18 16934 1 1 17 SER HA H 18.413 5.115 -6.321 1.00 . A A . 17 SER HA 1 1 18 16935 1 1 17 SER HB2 H 16.174 5.843 -5.350 1.00 . A A . 17 SER HB2 1 1 18 16936 1 1 17 SER HB3 H 16.443 4.637 -4.044 1.00 . A A . 17 SER HB3 1 1 18 16937 1 1 17 SER HG H 17.125 6.739 -3.500 1.00 . A A . 17 SER HG 1 1 18 16938 1 1 17 SER N N 16.929 3.781 -6.787 1.00 . A A . 17 SER N 1 1 18 16939 1 1 17 SER O O 18.954 2.332 -5.411 1.00 . A A . 17 SER O 1 1 18 16940 1 1 17 SER OG O 17.731 6.274 -4.099 1.00 . A A . 17 SER OG 1 1 18 16941 1 1 18 GLN C C 20.189 3.825 -1.709 1.00 . A A . 18 GLN C 1 1 18 16942 1 1 18 GLN CA C 20.311 3.343 -3.155 1.00 . A A . 18 GLN CA 1 1 18 16943 1 1 18 GLN CB C 21.709 3.844 -3.613 1.00 . A A . 18 GLN CB 1 1 18 16944 1 1 18 GLN CD C 21.718 3.934 -6.209 1.00 . A A . 18 GLN CD 1 1 18 16945 1 1 18 GLN CG C 22.272 3.280 -4.944 1.00 . A A . 18 GLN CG 1 1 18 16946 1 1 18 GLN H H 18.994 4.886 -3.656 1.00 . A A . 18 GLN H 1 1 18 16947 1 1 18 GLN HA H 20.251 2.269 -3.211 1.00 . A A . 18 GLN HA 1 1 18 16948 1 1 18 GLN HB2 H 21.695 4.955 -3.629 1.00 . A A . 18 GLN HB2 1 1 18 16949 1 1 18 GLN HB3 H 22.448 3.548 -2.835 1.00 . A A . 18 GLN HB3 1 1 18 16950 1 1 18 GLN HE21 H 21.913 5.792 -5.414 1.00 . A A . 18 GLN HE21 1 1 18 16951 1 1 18 GLN HE22 H 21.142 5.725 -6.982 1.00 . A A . 18 GLN HE22 1 1 18 16952 1 1 18 GLN HG2 H 23.374 3.434 -4.958 1.00 . A A . 18 GLN HG2 1 1 18 16953 1 1 18 GLN HG3 H 22.076 2.190 -5.003 1.00 . A A . 18 GLN HG3 1 1 18 16954 1 1 18 GLN N N 19.248 3.950 -3.910 1.00 . A A . 18 GLN N 1 1 18 16955 1 1 18 GLN NE2 N 21.577 5.274 -6.200 1.00 . A A . 18 GLN NE2 1 1 18 16956 1 1 18 GLN O O 20.541 4.969 -1.419 1.00 . A A . 18 GLN O 1 1 18 16957 1 1 18 GLN OE1 O 21.456 3.257 -7.208 1.00 . A A . 18 GLN OE1 1 1 18 16958 1 1 19 PRO C C 17.619 2.057 -1.648 1.00 . A A . 19 PRO C 1 1 18 16959 1 1 19 PRO CA C 18.975 1.779 -0.995 1.00 . A A . 19 PRO CA 1 1 18 16960 1 1 19 PRO CB C 18.839 1.203 0.420 1.00 . A A . 19 PRO CB 1 1 18 16961 1 1 19 PRO CD C 19.684 3.443 0.627 1.00 . A A . 19 PRO CD 1 1 18 16962 1 1 19 PRO CG C 18.773 2.435 1.325 1.00 . A A . 19 PRO CG 1 1 18 16963 1 1 19 PRO HA H 19.558 1.132 -1.630 1.00 . A A . 19 PRO HA 1 1 18 16964 1 1 19 PRO HB2 H 17.947 0.545 0.532 1.00 . A A . 19 PRO HB2 1 1 18 16965 1 1 19 PRO HB3 H 19.772 0.633 0.660 1.00 . A A . 19 PRO HB3 1 1 18 16966 1 1 19 PRO HD2 H 19.284 4.479 0.728 1.00 . A A . 19 PRO HD2 1 1 18 16967 1 1 19 PRO HD3 H 20.719 3.393 1.030 1.00 . A A . 19 PRO HD3 1 1 18 16968 1 1 19 PRO HG2 H 17.731 2.829 1.328 1.00 . A A . 19 PRO HG2 1 1 18 16969 1 1 19 PRO HG3 H 19.101 2.216 2.360 1.00 . A A . 19 PRO HG3 1 1 18 16970 1 1 19 PRO N N 19.707 3.022 -0.770 1.00 . A A . 19 PRO N 1 1 18 16971 1 1 19 PRO O O 17.090 3.156 -1.467 1.00 . A A . 19 PRO O 1 1 18 16972 1 1 20 PRO C C 14.606 1.376 -2.178 1.00 . A A . 20 PRO C 1 1 18 16973 1 1 20 PRO CA C 15.789 1.427 -3.115 1.00 . A A . 20 PRO CA 1 1 18 16974 1 1 20 PRO CB C 15.726 0.312 -4.165 1.00 . A A . 20 PRO CB 1 1 18 16975 1 1 20 PRO CD C 17.647 -0.108 -2.827 1.00 . A A . 20 PRO CD 1 1 18 16976 1 1 20 PRO CG C 16.527 -0.833 -3.556 1.00 . A A . 20 PRO CG 1 1 18 16977 1 1 20 PRO HA H 15.791 2.410 -3.564 1.00 . A A . 20 PRO HA 1 1 18 16978 1 1 20 PRO HB2 H 14.689 0.021 -4.413 1.00 . A A . 20 PRO HB2 1 1 18 16979 1 1 20 PRO HB3 H 16.238 0.654 -5.093 1.00 . A A . 20 PRO HB3 1 1 18 16980 1 1 20 PRO HD2 H 17.983 -0.687 -1.937 1.00 . A A . 20 PRO HD2 1 1 18 16981 1 1 20 PRO HD3 H 18.499 0.083 -3.522 1.00 . A A . 20 PRO HD3 1 1 18 16982 1 1 20 PRO HG2 H 15.899 -1.357 -2.804 1.00 . A A . 20 PRO HG2 1 1 18 16983 1 1 20 PRO HG3 H 16.892 -1.563 -4.305 1.00 . A A . 20 PRO HG3 1 1 18 16984 1 1 20 PRO N N 17.050 1.169 -2.440 1.00 . A A . 20 PRO N 1 1 18 16985 1 1 20 PRO O O 14.692 0.894 -1.048 1.00 . A A . 20 PRO O 1 1 18 16986 1 1 21 THR C C 11.115 2.193 -2.659 1.00 . A A . 21 THR C 1 1 18 16987 1 1 21 THR CA C 12.333 2.183 -1.789 1.00 . A A . 21 THR CA 1 1 18 16988 1 1 21 THR CB C 12.385 3.590 -1.183 1.00 . A A . 21 THR CB 1 1 18 16989 1 1 21 THR CG2 C 13.349 3.655 0.003 1.00 . A A . 21 THR CG2 1 1 18 16990 1 1 21 THR H H 13.449 2.248 -3.578 1.00 . A A . 21 THR H 1 1 18 16991 1 1 21 THR HA H 12.192 1.427 -1.031 1.00 . A A . 21 THR HA 1 1 18 16992 1 1 21 THR HB H 11.385 3.908 -0.828 1.00 . A A . 21 THR HB 1 1 18 16993 1 1 21 THR HG1 H 12.572 4.174 -2.990 1.00 . A A . 21 THR HG1 1 1 18 16994 1 1 21 THR HG21 H 13.340 4.672 0.448 1.00 . A A . 21 THR HG21 1 1 18 16995 1 1 21 THR HG22 H 14.387 3.435 -0.328 1.00 . A A . 21 THR HG22 1 1 18 16996 1 1 21 THR HG23 H 13.060 2.919 0.780 1.00 . A A . 21 THR HG23 1 1 18 16997 1 1 21 THR N N 13.456 1.859 -2.653 1.00 . A A . 21 THR N 1 1 18 16998 1 1 21 THR O O 11.195 2.430 -3.862 1.00 . A A . 21 THR O 1 1 18 16999 1 1 21 THR OG1 O 12.810 4.555 -2.130 1.00 . A A . 21 THR OG1 1 1 18 17000 1 1 22 CYS C C 7.569 2.277 -2.097 1.00 . A A . 22 CYS C 1 1 18 17001 1 1 22 CYS CA C 8.747 1.702 -2.839 1.00 . A A . 22 CYS CA 1 1 18 17002 1 1 22 CYS CB C 8.488 0.171 -3.028 1.00 . A A . 22 CYS CB 1 1 18 17003 1 1 22 CYS H H 9.873 1.757 -1.089 1.00 . A A . 22 CYS H 1 1 18 17004 1 1 22 CYS HA H 8.791 2.229 -3.777 1.00 . A A . 22 CYS HA 1 1 18 17005 1 1 22 CYS HB2 H 8.325 -0.289 -2.034 1.00 . A A . 22 CYS HB2 1 1 18 17006 1 1 22 CYS HB3 H 7.550 -0.002 -3.589 1.00 . A A . 22 CYS HB3 1 1 18 17007 1 1 22 CYS N N 9.941 1.944 -2.066 1.00 . A A . 22 CYS N 1 1 18 17008 1 1 22 CYS O O 7.712 2.814 -0.997 1.00 . A A . 22 CYS O 1 1 18 17009 1 1 22 CYS SG S 9.822 -0.758 -3.853 1.00 . A A . 22 CYS SG 1 1 18 17010 1 1 23 ARG C C 3.977 2.242 -2.947 1.00 . A A . 23 ARG C 1 1 18 17011 1 1 23 ARG CA C 5.151 2.681 -2.095 1.00 . A A . 23 ARG CA 1 1 18 17012 1 1 23 ARG CB C 5.147 4.233 -1.928 1.00 . A A . 23 ARG CB 1 1 18 17013 1 1 23 ARG CD C 2.839 5.172 -1.174 1.00 . A A . 23 ARG CD 1 1 18 17014 1 1 23 ARG CG C 4.271 4.787 -0.780 1.00 . A A . 23 ARG CG 1 1 18 17015 1 1 23 ARG CZ C 1.981 6.884 -2.840 1.00 . A A . 23 ARG CZ 1 1 18 17016 1 1 23 ARG H H 6.311 1.816 -3.616 1.00 . A A . 23 ARG H 1 1 18 17017 1 1 23 ARG HA H 5.044 2.225 -1.128 1.00 . A A . 23 ARG HA 1 1 18 17018 1 1 23 ARG HB2 H 6.185 4.544 -1.684 1.00 . A A . 23 ARG HB2 1 1 18 17019 1 1 23 ARG HB3 H 4.891 4.728 -2.887 1.00 . A A . 23 ARG HB3 1 1 18 17020 1 1 23 ARG HD2 H 2.339 4.373 -1.746 1.00 . A A . 23 ARG HD2 1 1 18 17021 1 1 23 ARG HD3 H 2.244 5.443 -0.280 1.00 . A A . 23 ARG HD3 1 1 18 17022 1 1 23 ARG HE H 3.800 6.910 -1.972 1.00 . A A . 23 ARG HE 1 1 18 17023 1 1 23 ARG HG2 H 4.268 4.083 0.071 1.00 . A A . 23 ARG HG2 1 1 18 17024 1 1 23 ARG HG3 H 4.754 5.710 -0.383 1.00 . A A . 23 ARG HG3 1 1 18 17025 1 1 23 ARG HH11 H 0.577 5.397 -2.597 1.00 . A A . 23 ARG HH11 1 1 18 17026 1 1 23 ARG HH12 H 0.119 6.647 -3.676 1.00 . A A . 23 ARG HH12 1 1 18 17027 1 1 23 ARG HH21 H 3.214 8.401 -3.316 1.00 . A A . 23 ARG HH21 1 1 18 17028 1 1 23 ARG HH22 H 1.662 8.485 -4.118 1.00 . A A . 23 ARG HH22 1 1 18 17029 1 1 23 ARG N N 6.365 2.150 -2.672 1.00 . A A . 23 ARG N 1 1 18 17030 1 1 23 ARG NE N 2.952 6.388 -2.019 1.00 . A A . 23 ARG NE 1 1 18 17031 1 1 23 ARG NH1 N 0.778 6.279 -3.021 1.00 . A A . 23 ARG NH1 1 1 18 17032 1 1 23 ARG NH2 N 2.300 8.037 -3.492 1.00 . A A . 23 ARG NH2 1 1 18 17033 1 1 23 ARG O O 4.064 2.071 -4.163 1.00 . A A . 23 ARG O 1 1 18 17034 1 1 24 CYS C C 0.894 2.329 -3.713 1.00 . A A . 24 CYS C 1 1 18 17035 1 1 24 CYS CA C 1.633 1.390 -2.777 1.00 . A A . 24 CYS CA 1 1 18 17036 1 1 24 CYS CB C 0.664 1.249 -1.612 1.00 . A A . 24 CYS CB 1 1 18 17037 1 1 24 CYS H H 2.911 2.107 -1.269 1.00 . A A . 24 CYS H 1 1 18 17038 1 1 24 CYS HA H 1.799 0.376 -3.090 1.00 . A A . 24 CYS HA 1 1 18 17039 1 1 24 CYS HB2 H 0.918 1.998 -0.844 1.00 . A A . 24 CYS HB2 1 1 18 17040 1 1 24 CYS HB3 H -0.336 1.526 -2.014 1.00 . A A . 24 CYS HB3 1 1 18 17041 1 1 24 CYS N N 2.868 1.942 -2.245 1.00 . A A . 24 CYS N 1 1 18 17042 1 1 24 CYS O O 0.324 3.288 -3.211 1.00 . A A . 24 CYS O 1 1 18 17043 1 1 24 CYS SG S 0.530 -0.403 -0.891 1.00 . A A . 24 CYS SG 1 1 18 17044 1 1 25 VAL C C -1.350 3.164 -5.674 1.00 . A A . 25 VAL C 1 1 18 17045 1 1 25 VAL CA C 0.145 3.094 -5.926 1.00 . A A . 25 VAL CA 1 1 18 17046 1 1 25 VAL CB C 0.442 2.999 -7.417 1.00 . A A . 25 VAL CB 1 1 18 17047 1 1 25 VAL CG1 C 1.968 3.058 -7.607 1.00 . A A . 25 VAL CG1 1 1 18 17048 1 1 25 VAL CG2 C -0.169 1.741 -8.054 1.00 . A A . 25 VAL CG2 1 1 18 17049 1 1 25 VAL H H 1.189 1.321 -5.521 1.00 . A A . 25 VAL H 1 1 18 17050 1 1 25 VAL HA H 0.505 4.070 -5.637 1.00 . A A . 25 VAL HA 1 1 18 17051 1 1 25 VAL HB H 0.002 3.896 -7.920 1.00 . A A . 25 VAL HB 1 1 18 17052 1 1 25 VAL HG11 H 2.225 3.138 -8.685 1.00 . A A . 25 VAL HG11 1 1 18 17053 1 1 25 VAL HG12 H 2.436 2.140 -7.205 1.00 . A A . 25 VAL HG12 1 1 18 17054 1 1 25 VAL HG13 H 2.389 3.940 -7.074 1.00 . A A . 25 VAL HG13 1 1 18 17055 1 1 25 VAL HG21 H 0.142 1.661 -9.118 1.00 . A A . 25 VAL HG21 1 1 18 17056 1 1 25 VAL HG22 H -1.278 1.769 -8.021 1.00 . A A . 25 VAL HG22 1 1 18 17057 1 1 25 VAL HG23 H 0.178 0.836 -7.523 1.00 . A A . 25 VAL HG23 1 1 18 17058 1 1 25 VAL N N 0.875 2.153 -5.062 1.00 . A A . 25 VAL N 1 1 18 17059 1 1 25 VAL O O -2.034 4.136 -5.981 1.00 . A A . 25 VAL O 1 1 18 17060 1 1 26 ASP C C -3.814 2.494 -3.659 1.00 . A A . 26 ASP C 1 1 18 17061 1 1 26 ASP CA C -3.303 1.853 -4.934 1.00 . A A . 26 ASP CA 1 1 18 17062 1 1 26 ASP CB C -3.633 0.342 -4.780 1.00 . A A . 26 ASP CB 1 1 18 17063 1 1 26 ASP CG C -2.902 -0.496 -5.804 1.00 . A A . 26 ASP CG 1 1 18 17064 1 1 26 ASP H H -1.251 1.382 -4.801 1.00 . A A . 26 ASP H 1 1 18 17065 1 1 26 ASP HA H -3.836 2.283 -5.772 1.00 . A A . 26 ASP HA 1 1 18 17066 1 1 26 ASP HB2 H -3.353 0.008 -3.757 1.00 . A A . 26 ASP HB2 1 1 18 17067 1 1 26 ASP HB3 H -4.726 0.179 -4.900 1.00 . A A . 26 ASP HB3 1 1 18 17068 1 1 26 ASP HD2 H -2.149 -1.313 -4.238 1.00 . A A . 26 ASP HD2 1 1 18 17069 1 1 26 ASP N N -1.890 2.067 -5.124 1.00 . A A . 26 ASP N 1 1 18 17070 1 1 26 ASP O O -3.080 2.671 -2.690 1.00 . A A . 26 ASP O 1 1 18 17071 1 1 26 ASP OD1 O -2.947 -0.388 -7.010 1.00 . A A . 26 ASP OD1 1 1 18 17072 1 1 26 ASP OD2 O -2.128 -1.448 -5.184 1.00 . A A . 26 ASP OD2 1 1 18 17073 1 1 27 VAL C C -6.238 1.702 -1.681 1.00 . A A . 27 VAL C 1 1 18 17074 1 1 27 VAL CA C -5.789 2.989 -2.343 1.00 . A A . 27 VAL CA 1 1 18 17075 1 1 27 VAL CB C -6.942 3.970 -2.424 1.00 . A A . 27 VAL CB 1 1 18 17076 1 1 27 VAL CG1 C -6.406 5.316 -2.924 1.00 . A A . 27 VAL CG1 1 1 18 17077 1 1 27 VAL CG2 C -8.091 3.480 -3.317 1.00 . A A . 27 VAL CG2 1 1 18 17078 1 1 27 VAL H H -5.712 2.689 -4.410 1.00 . A A . 27 VAL H 1 1 18 17079 1 1 27 VAL HA H -5.091 3.441 -1.654 1.00 . A A . 27 VAL HA 1 1 18 17080 1 1 27 VAL HB H -7.342 4.108 -1.399 1.00 . A A . 27 VAL HB 1 1 18 17081 1 1 27 VAL HG11 H -7.228 6.054 -3.016 1.00 . A A . 27 VAL HG11 1 1 18 17082 1 1 27 VAL HG12 H -5.937 5.193 -3.923 1.00 . A A . 27 VAL HG12 1 1 18 17083 1 1 27 VAL HG13 H -5.645 5.716 -2.226 1.00 . A A . 27 VAL HG13 1 1 18 17084 1 1 27 VAL HG21 H -8.481 2.506 -2.962 1.00 . A A . 27 VAL HG21 1 1 18 17085 1 1 27 VAL HG22 H -7.770 3.384 -4.371 1.00 . A A . 27 VAL HG22 1 1 18 17086 1 1 27 VAL HG23 H -8.918 4.220 -3.269 1.00 . A A . 27 VAL HG23 1 1 18 17087 1 1 27 VAL N N -5.127 2.749 -3.603 1.00 . A A . 27 VAL N 1 1 18 17088 1 1 27 VAL O O -6.627 0.716 -2.307 1.00 . A A . 27 VAL O 1 1 18 17089 1 1 28 ARG C C -7.778 1.265 1.398 1.00 . A A . 28 ARG C 1 1 18 17090 1 1 28 ARG CA C -6.718 0.672 0.498 1.00 . A A . 28 ARG CA 1 1 18 17091 1 1 28 ARG CB C -5.624 -0.041 1.313 1.00 . A A . 28 ARG CB 1 1 18 17092 1 1 28 ARG CD C -4.712 0.487 3.616 1.00 . A A . 28 ARG CD 1 1 18 17093 1 1 28 ARG CG C -4.701 0.863 2.144 1.00 . A A . 28 ARG CG 1 1 18 17094 1 1 28 ARG CZ C -4.470 -1.752 4.705 1.00 . A A . 28 ARG CZ 1 1 18 17095 1 1 28 ARG H H -5.778 2.500 0.105 1.00 . A A . 28 ARG H 1 1 18 17096 1 1 28 ARG HA H -7.226 -0.062 -0.108 1.00 . A A . 28 ARG HA 1 1 18 17097 1 1 28 ARG HB2 H -6.108 -0.775 1.987 1.00 . A A . 28 ARG HB2 1 1 18 17098 1 1 28 ARG HB3 H -4.997 -0.624 0.615 1.00 . A A . 28 ARG HB3 1 1 18 17099 1 1 28 ARG HD2 H -4.085 1.158 4.226 1.00 . A A . 28 ARG HD2 1 1 18 17100 1 1 28 ARG HD3 H -5.766 0.500 3.955 1.00 . A A . 28 ARG HD3 1 1 18 17101 1 1 28 ARG HE H -3.590 -1.225 2.962 1.00 . A A . 28 ARG HE 1 1 18 17102 1 1 28 ARG HG2 H -3.663 0.789 1.751 1.00 . A A . 28 ARG HG2 1 1 18 17103 1 1 28 ARG HG3 H -5.044 1.916 2.102 1.00 . A A . 28 ARG HG3 1 1 18 17104 1 1 28 ARG HH11 H -5.600 -0.458 5.825 1.00 . A A . 28 ARG HH11 1 1 18 17105 1 1 28 ARG HH12 H -5.495 -2.070 6.451 1.00 . A A . 28 ARG HH12 1 1 18 17106 1 1 28 ARG HH21 H -3.483 -3.215 3.749 1.00 . A A . 28 ARG HH21 1 1 18 17107 1 1 28 ARG HH22 H -4.208 -3.710 5.270 1.00 . A A . 28 ARG HH22 1 1 18 17108 1 1 28 ARG N N -6.173 1.703 -0.348 1.00 . A A . 28 ARG N 1 1 18 17109 1 1 28 ARG NE N -4.144 -0.878 3.716 1.00 . A A . 28 ARG NE 1 1 18 17110 1 1 28 ARG NH1 N -5.261 -1.394 5.749 1.00 . A A . 28 ARG NH1 1 1 18 17111 1 1 28 ARG NH2 N -3.972 -3.012 4.596 1.00 . A A . 28 ARG NH2 1 1 18 17112 1 1 28 ARG O O -7.927 2.484 1.482 1.00 . A A . 28 ARG O 1 1 18 17113 1 1 29 GLU C C -9.421 1.667 4.027 1.00 . A A . 29 GLU C 1 1 18 17114 1 1 29 GLU CA C -9.714 0.716 2.883 1.00 . A A . 29 GLU CA 1 1 18 17115 1 1 29 GLU CB C -10.368 -0.583 3.396 1.00 . A A . 29 GLU CB 1 1 18 17116 1 1 29 GLU CD C -11.998 -2.473 2.815 1.00 . A A . 29 GLU CD 1 1 18 17117 1 1 29 GLU CG C -11.176 -1.304 2.287 1.00 . A A . 29 GLU CG 1 1 18 17118 1 1 29 GLU H H -8.371 -0.587 1.997 1.00 . A A . 29 GLU H 1 1 18 17119 1 1 29 GLU HA H -10.439 1.240 2.282 1.00 . A A . 29 GLU HA 1 1 18 17120 1 1 29 GLU HB2 H -9.559 -1.246 3.774 1.00 . A A . 29 GLU HB2 1 1 18 17121 1 1 29 GLU HB3 H -11.047 -0.353 4.246 1.00 . A A . 29 GLU HB3 1 1 18 17122 1 1 29 GLU HE2 H -13.656 -2.860 3.684 1.00 . A A . 29 GLU HE2 1 1 18 17123 1 1 29 GLU HG2 H -11.873 -0.584 1.804 1.00 . A A . 29 GLU HG2 1 1 18 17124 1 1 29 GLU HG3 H -10.488 -1.696 1.510 1.00 . A A . 29 GLU HG3 1 1 18 17125 1 1 29 GLU N N -8.596 0.393 2.016 1.00 . A A . 29 GLU N 1 1 18 17126 1 1 29 GLU O O -10.106 2.662 4.246 1.00 . A A . 29 GLU O 1 1 18 17127 1 1 29 GLU OE1 O -11.711 -3.653 2.732 1.00 . A A . 29 GLU OE1 1 1 18 17128 1 1 29 GLU OE2 O -13.172 -2.064 3.395 1.00 . A A . 29 GLU OE2 1 1 18 17129 1 1 30 SER C C -6.723 2.112 6.434 1.00 . A A . 30 SER C 1 1 18 17130 1 1 30 SER CA C -8.196 1.964 6.112 1.00 . A A . 30 SER CA 1 1 18 17131 1 1 30 SER CB C -8.922 1.182 7.254 1.00 . A A . 30 SER CB 1 1 18 17132 1 1 30 SER H H -7.835 0.566 4.511 1.00 . A A . 30 SER H 1 1 18 17133 1 1 30 SER HA H -8.571 2.977 6.064 1.00 . A A . 30 SER HA 1 1 18 17134 1 1 30 SER HB2 H -8.562 0.127 7.283 1.00 . A A . 30 SER HB2 1 1 18 17135 1 1 30 SER HB3 H -8.751 1.656 8.248 1.00 . A A . 30 SER HB3 1 1 18 17136 1 1 30 SER HG H -10.690 0.661 7.831 1.00 . A A . 30 SER HG 1 1 18 17137 1 1 30 SER N N -8.382 1.346 4.802 1.00 . A A . 30 SER N 1 1 18 17138 1 1 30 SER O O -5.963 2.716 5.683 1.00 . A A . 30 SER O 1 1 18 17139 1 1 30 SER OG O -10.335 1.153 7.059 1.00 . A A . 30 SER OG 1 1 18 17140 1 1 31 CYS C C -4.495 0.303 8.547 1.00 . A A . 31 CYS C 1 1 18 17141 1 1 31 CYS CA C -4.870 1.653 7.971 1.00 . A A . 31 CYS CA 1 1 18 17142 1 1 31 CYS CB C -4.680 2.778 9.017 1.00 . A A . 31 CYS CB 1 1 18 17143 1 1 31 CYS H H -6.814 1.043 8.203 1.00 . A A . 31 CYS H 1 1 18 17144 1 1 31 CYS HA H -4.245 1.825 7.105 1.00 . A A . 31 CYS HA 1 1 18 17145 1 1 31 CYS HB2 H -5.123 3.712 8.584 1.00 . A A . 31 CYS HB2 1 1 18 17146 1 1 31 CYS HB3 H -5.250 2.500 9.940 1.00 . A A . 31 CYS HB3 1 1 18 17147 1 1 31 CYS N N -6.252 1.571 7.572 1.00 . A A . 31 CYS N 1 1 18 17148 1 1 31 CYS O O -5.360 -0.516 8.832 1.00 . A A . 31 CYS O 1 1 18 17149 1 1 31 CYS SG S -2.938 3.121 9.417 1.00 . A A . 31 CYS SG 1 1 18 17150 1 1 32 HIS C C -1.604 -0.924 10.179 1.00 . A A . 32 HIS C 1 1 18 17151 1 1 32 HIS CA C -2.678 -1.240 9.168 1.00 . A A . 32 HIS CA 1 1 18 17152 1 1 32 HIS CB C -2.071 -2.035 7.989 1.00 . A A . 32 HIS CB 1 1 18 17153 1 1 32 HIS CD2 C -0.616 -4.143 8.472 1.00 . A A . 32 HIS CD2 1 1 18 17154 1 1 32 HIS CE1 C -2.292 -5.508 8.742 1.00 . A A . 32 HIS CE1 1 1 18 17155 1 1 32 HIS CG C -1.765 -3.463 8.267 1.00 . A A . 32 HIS CG 1 1 18 17156 1 1 32 HIS H H -2.516 0.753 8.617 1.00 . A A . 32 HIS H 1 1 18 17157 1 1 32 HIS HA H -3.447 -1.816 9.660 1.00 . A A . 32 HIS HA 1 1 18 17158 1 1 32 HIS HB2 H -2.852 -2.080 7.199 1.00 . A A . 32 HIS HB2 1 1 18 17159 1 1 32 HIS HB3 H -1.165 -1.521 7.617 1.00 . A A . 32 HIS HB3 1 1 18 17160 1 1 32 HIS HD1 H -3.762 -4.124 8.368 1.00 . A A . 32 HIS HD1 1 1 18 17161 1 1 32 HIS HD2 H 0.416 -3.821 8.446 1.00 . A A . 32 HIS HD2 1 1 18 17162 1 1 32 HIS HE1 H -2.890 -6.364 8.953 1.00 . A A . 32 HIS HE1 1 1 18 17163 1 1 32 HIS HE2 H -0.352 -6.169 9.026 1.00 . A A . 32 HIS HE2 1 1 18 17164 1 1 32 HIS N N -3.191 0.022 8.692 1.00 . A A . 32 HIS N 1 1 18 17165 1 1 32 HIS ND1 N -2.786 -4.336 8.428 1.00 . A A . 32 HIS ND1 1 1 18 17166 1 1 32 HIS NE2 N -0.973 -5.421 8.775 1.00 . A A . 32 HIS NE2 1 1 18 17167 1 1 32 HIS O O -1.288 0.234 10.418 1.00 . A A . 32 HIS O 1 1 18 17168 1 1 33 SER C C 1.431 -1.391 11.103 1.00 . A A . 33 SER C 1 1 18 17169 1 1 33 SER CA C 0.100 -1.740 11.746 1.00 . A A . 33 SER CA 1 1 18 17170 1 1 33 SER CB C 0.318 -2.981 12.636 1.00 . A A . 33 SER CB 1 1 18 17171 1 1 33 SER H H -1.383 -2.851 10.727 1.00 . A A . 33 SER H 1 1 18 17172 1 1 33 SER HA H -0.165 -0.895 12.373 1.00 . A A . 33 SER HA 1 1 18 17173 1 1 33 SER HB2 H 0.472 -3.880 12.004 1.00 . A A . 33 SER HB2 1 1 18 17174 1 1 33 SER HB3 H 1.213 -2.872 13.295 1.00 . A A . 33 SER HB3 1 1 18 17175 1 1 33 SER HG H -0.804 -4.093 13.776 1.00 . A A . 33 SER HG 1 1 18 17176 1 1 33 SER N N -0.988 -1.942 10.788 1.00 . A A . 33 SER N 1 1 18 17177 1 1 33 SER O O 2.084 -0.426 11.481 1.00 . A A . 33 SER O 1 1 18 17178 1 1 33 SER OG O -0.838 -3.176 13.442 1.00 . A A . 33 SER OG 1 1 18 17179 1 1 34 ALA C C 3.276 -0.545 8.753 1.00 . A A . 34 ALA C 1 1 18 17180 1 1 34 ALA CA C 3.121 -1.931 9.370 1.00 . A A . 34 ALA CA 1 1 18 17181 1 1 34 ALA CB C 3.306 -2.997 8.267 1.00 . A A . 34 ALA CB 1 1 18 17182 1 1 34 ALA H H 1.501 -3.075 9.961 1.00 . A A . 34 ALA H 1 1 18 17183 1 1 34 ALA HA H 3.910 -2.029 10.095 1.00 . A A . 34 ALA HA 1 1 18 17184 1 1 34 ALA HB1 H 4.311 -2.899 7.800 1.00 . A A . 34 ALA HB1 1 1 18 17185 1 1 34 ALA HB2 H 2.531 -2.926 7.478 1.00 . A A . 34 ALA HB2 1 1 18 17186 1 1 34 ALA HB3 H 3.259 -4.013 8.717 1.00 . A A . 34 ALA HB3 1 1 18 17187 1 1 34 ALA N N 1.881 -2.165 10.091 1.00 . A A . 34 ALA N 1 1 18 17188 1 1 34 ALA O O 4.340 0.068 8.763 1.00 . A A . 34 ALA O 1 1 18 17189 1 1 35 CYS C C 1.618 2.237 8.879 1.00 . A A . 35 CYS C 1 1 18 17190 1 1 35 CYS CA C 2.147 1.375 7.749 1.00 . A A . 35 CYS CA 1 1 18 17191 1 1 35 CYS CB C 1.286 1.547 6.469 1.00 . A A . 35 CYS CB 1 1 18 17192 1 1 35 CYS H H 1.327 -0.483 8.322 1.00 . A A . 35 CYS H 1 1 18 17193 1 1 35 CYS HA H 3.146 1.713 7.513 1.00 . A A . 35 CYS HA 1 1 18 17194 1 1 35 CYS HB2 H 1.739 0.890 5.688 1.00 . A A . 35 CYS HB2 1 1 18 17195 1 1 35 CYS HB3 H 0.251 1.190 6.698 1.00 . A A . 35 CYS HB3 1 1 18 17196 1 1 35 CYS N N 2.183 -0.001 8.200 1.00 . A A . 35 CYS N 1 1 18 17197 1 1 35 CYS O O 0.420 2.438 9.014 1.00 . A A . 35 CYS O 1 1 18 17198 1 1 35 CYS SG S 1.210 3.263 5.834 1.00 . A A . 35 CYS SG 1 1 18 17199 1 1 36 ASP C C 1.918 5.052 10.522 1.00 . A A . 36 ASP C 1 1 18 17200 1 1 36 ASP CA C 2.203 3.590 10.871 1.00 . A A . 36 ASP CA 1 1 18 17201 1 1 36 ASP CB C 3.365 3.479 11.896 1.00 . A A . 36 ASP CB 1 1 18 17202 1 1 36 ASP CG C 4.701 3.806 11.256 1.00 . A A . 36 ASP CG 1 1 18 17203 1 1 36 ASP H H 3.495 2.560 9.601 1.00 . A A . 36 ASP H 1 1 18 17204 1 1 36 ASP HA H 1.301 3.197 11.327 1.00 . A A . 36 ASP HA 1 1 18 17205 1 1 36 ASP HB2 H 3.176 4.106 12.788 1.00 . A A . 36 ASP HB2 1 1 18 17206 1 1 36 ASP HB3 H 3.418 2.419 12.224 1.00 . A A . 36 ASP HB3 1 1 18 17207 1 1 36 ASP HD2 H 4.805 5.359 12.420 1.00 . A A . 36 ASP HD2 1 1 18 17208 1 1 36 ASP N N 2.525 2.784 9.704 1.00 . A A . 36 ASP N 1 1 18 17209 1 1 36 ASP O O 1.618 5.889 11.373 1.00 . A A . 36 ASP O 1 1 18 17210 1 1 36 ASP OD1 O 5.288 3.084 10.469 1.00 . A A . 36 ASP OD1 1 1 18 17211 1 1 36 ASP OD2 O 5.171 5.050 11.581 1.00 . A A . 36 ASP OD2 1 1 18 17212 1 1 37 LYS C C 0.802 6.666 7.559 1.00 . A A . 37 LYS C 1 1 18 17213 1 1 37 LYS CA C 1.823 6.705 8.687 1.00 . A A . 37 LYS CA 1 1 18 17214 1 1 37 LYS CB C 3.165 7.339 8.244 1.00 . A A . 37 LYS CB 1 1 18 17215 1 1 37 LYS CD C 5.069 5.630 7.940 1.00 . A A . 37 LYS CD 1 1 18 17216 1 1 37 LYS CE C 5.677 4.560 7.025 1.00 . A A . 37 LYS CE 1 1 18 17217 1 1 37 LYS CG C 4.022 6.525 7.257 1.00 . A A . 37 LYS CG 1 1 18 17218 1 1 37 LYS H H 2.301 4.686 8.592 1.00 . A A . 37 LYS H 1 1 18 17219 1 1 37 LYS HA H 1.380 7.334 9.443 1.00 . A A . 37 LYS HA 1 1 18 17220 1 1 37 LYS HB2 H 2.956 8.338 7.820 1.00 . A A . 37 LYS HB2 1 1 18 17221 1 1 37 LYS HB3 H 3.777 7.537 9.140 1.00 . A A . 37 LYS HB3 1 1 18 17222 1 1 37 LYS HD2 H 5.878 6.277 8.351 1.00 . A A . 37 LYS HD2 1 1 18 17223 1 1 37 LYS HD3 H 4.598 5.118 8.806 1.00 . A A . 37 LYS HD3 1 1 18 17224 1 1 37 LYS HE2 H 4.896 3.841 6.699 1.00 . A A . 37 LYS HE2 1 1 18 17225 1 1 37 LYS HE3 H 6.151 5.018 6.134 1.00 . A A . 37 LYS HE3 1 1 18 17226 1 1 37 LYS HG2 H 3.355 5.939 6.595 1.00 . A A . 37 LYS HG2 1 1 18 17227 1 1 37 LYS HG3 H 4.558 7.255 6.614 1.00 . A A . 37 LYS HG3 1 1 18 17228 1 1 37 LYS HZ1 H 7.503 4.428 8.008 1.00 . A A . 37 LYS HZ1 1 1 18 17229 1 1 37 LYS HZ2 H 7.087 3.034 7.137 1.00 . A A . 37 LYS HZ2 1 1 18 17230 1 1 37 LYS HZ3 H 6.315 3.380 8.611 1.00 . A A . 37 LYS HZ3 1 1 18 17231 1 1 37 LYS N N 2.034 5.389 9.233 1.00 . A A . 37 LYS N 1 1 18 17232 1 1 37 LYS NZ N 6.720 3.793 7.746 1.00 . A A . 37 LYS NZ 1 1 18 17233 1 1 37 LYS O O 1.081 6.871 6.375 1.00 . A A . 37 LYS O 1 1 18 17234 1 1 38 CYS C C -2.161 7.719 6.760 1.00 . A A . 38 CYS C 1 1 18 17235 1 1 38 CYS CA C -1.563 6.351 6.988 1.00 . A A . 38 CYS CA 1 1 18 17236 1 1 38 CYS CB C -2.655 5.467 7.609 1.00 . A A . 38 CYS CB 1 1 18 17237 1 1 38 CYS H H -0.708 6.177 8.864 1.00 . A A . 38 CYS H 1 1 18 17238 1 1 38 CYS HA H -1.248 5.971 6.025 1.00 . A A . 38 CYS HA 1 1 18 17239 1 1 38 CYS HB2 H -2.777 5.822 8.661 1.00 . A A . 38 CYS HB2 1 1 18 17240 1 1 38 CYS HB3 H -3.627 5.572 7.084 1.00 . A A . 38 CYS HB3 1 1 18 17241 1 1 38 CYS N N -0.461 6.403 7.917 1.00 . A A . 38 CYS N 1 1 18 17242 1 1 38 CYS O O -2.361 8.499 7.693 1.00 . A A . 38 CYS O 1 1 18 17243 1 1 38 CYS SG S -2.180 3.720 7.641 1.00 . A A . 38 CYS SG 1 1 18 17244 1 1 39 VAL C C -4.389 8.917 4.285 1.00 . A A . 39 VAL C 1 1 18 17245 1 1 39 VAL CA C -3.123 9.245 5.078 1.00 . A A . 39 VAL CA 1 1 18 17246 1 1 39 VAL CB C -2.111 10.107 4.365 1.00 . A A . 39 VAL CB 1 1 18 17247 1 1 39 VAL CG1 C -1.540 9.548 3.062 1.00 . A A . 39 VAL CG1 1 1 18 17248 1 1 39 VAL CG2 C -2.635 11.518 4.150 1.00 . A A . 39 VAL CG2 1 1 18 17249 1 1 39 VAL H H -2.159 7.491 4.713 1.00 . A A . 39 VAL H 1 1 18 17250 1 1 39 VAL HA H -3.421 9.811 5.944 1.00 . A A . 39 VAL HA 1 1 18 17251 1 1 39 VAL HB H -1.248 10.133 5.058 1.00 . A A . 39 VAL HB 1 1 18 17252 1 1 39 VAL HG11 H -1.096 8.548 3.234 1.00 . A A . 39 VAL HG11 1 1 18 17253 1 1 39 VAL HG12 H -0.741 10.245 2.726 1.00 . A A . 39 VAL HG12 1 1 18 17254 1 1 39 VAL HG13 H -2.326 9.507 2.284 1.00 . A A . 39 VAL HG13 1 1 18 17255 1 1 39 VAL HG21 H -2.983 11.947 5.113 1.00 . A A . 39 VAL HG21 1 1 18 17256 1 1 39 VAL HG22 H -3.464 11.499 3.414 1.00 . A A . 39 VAL HG22 1 1 18 17257 1 1 39 VAL HG23 H -1.800 12.132 3.747 1.00 . A A . 39 VAL HG23 1 1 18 17258 1 1 39 VAL N N -2.458 8.042 5.491 1.00 . A A . 39 VAL N 1 1 18 17259 1 1 39 VAL O O -4.366 8.456 3.141 1.00 . A A . 39 VAL O 1 1 18 17260 1 1 40 CYS C C -7.468 10.033 3.604 1.00 . A A . 40 CYS C 1 1 18 17261 1 1 40 CYS CA C -6.846 8.831 4.279 1.00 . A A . 40 CYS CA 1 1 18 17262 1 1 40 CYS CB C -7.862 8.263 5.275 1.00 . A A . 40 CYS CB 1 1 18 17263 1 1 40 CYS H H -5.631 9.333 5.879 1.00 . A A . 40 CYS H 1 1 18 17264 1 1 40 CYS HA H -6.733 8.096 3.507 1.00 . A A . 40 CYS HA 1 1 18 17265 1 1 40 CYS HB2 H -7.956 8.967 6.116 1.00 . A A . 40 CYS HB2 1 1 18 17266 1 1 40 CYS HB3 H -8.853 8.222 4.793 1.00 . A A . 40 CYS HB3 1 1 18 17267 1 1 40 CYS N N -5.569 9.080 4.914 1.00 . A A . 40 CYS N 1 1 18 17268 1 1 40 CYS O O -7.612 11.111 4.177 1.00 . A A . 40 CYS O 1 1 18 17269 1 1 40 CYS SG S -7.414 6.604 5.867 1.00 . A A . 40 CYS SG 1 1 18 17270 1 1 41 ALA C C -10.299 10.353 2.232 1.00 . A A . 41 ALA C 1 1 18 17271 1 1 41 ALA CA C -8.903 10.623 1.698 1.00 . A A . 41 ALA CA 1 1 18 17272 1 1 41 ALA CB C -8.913 10.445 0.181 1.00 . A A . 41 ALA CB 1 1 18 17273 1 1 41 ALA H H -7.764 8.948 1.936 1.00 . A A . 41 ALA H 1 1 18 17274 1 1 41 ALA HA H -8.721 11.669 1.888 1.00 . A A . 41 ALA HA 1 1 18 17275 1 1 41 ALA HB1 H -9.693 11.099 -0.269 1.00 . A A . 41 ALA HB1 1 1 18 17276 1 1 41 ALA HB2 H -9.117 9.384 -0.081 1.00 . A A . 41 ALA HB2 1 1 18 17277 1 1 41 ALA HB3 H -7.923 10.738 -0.230 1.00 . A A . 41 ALA HB3 1 1 18 17278 1 1 41 ALA N N -7.850 9.868 2.330 1.00 . A A . 41 ALA N 1 1 18 17279 1 1 41 ALA O O -10.722 9.209 2.376 1.00 . A A . 41 ALA O 1 1 18 17280 1 1 42 TYR C C -13.444 11.195 1.509 1.00 . A A . 42 TYR C 1 1 18 17281 1 1 42 TYR CA C -12.511 11.309 2.729 1.00 . A A . 42 TYR CA 1 1 18 17282 1 1 42 TYR CB C -12.946 12.452 3.669 1.00 . A A . 42 TYR CB 1 1 18 17283 1 1 42 TYR CD1 C -11.306 14.393 3.481 1.00 . A A . 42 TYR CD1 1 1 18 17284 1 1 42 TYR CD2 C -13.418 14.537 2.321 1.00 . A A . 42 TYR CD2 1 1 18 17285 1 1 42 TYR CE1 C -10.931 15.629 2.938 1.00 . A A . 42 TYR CE1 1 1 18 17286 1 1 42 TYR CE2 C -13.035 15.754 1.756 1.00 . A A . 42 TYR CE2 1 1 18 17287 1 1 42 TYR CG C -12.552 13.822 3.163 1.00 . A A . 42 TYR CG 1 1 18 17288 1 1 42 TYR CZ C -11.790 16.299 2.061 1.00 . A A . 42 TYR CZ 1 1 18 17289 1 1 42 TYR H H -10.701 12.318 2.452 1.00 . A A . 42 TYR H 1 1 18 17290 1 1 42 TYR HA H -12.694 10.403 3.276 1.00 . A A . 42 TYR HA 1 1 18 17291 1 1 42 TYR HB2 H -14.042 12.427 3.836 1.00 . A A . 42 TYR HB2 1 1 18 17292 1 1 42 TYR HB3 H -12.447 12.266 4.642 1.00 . A A . 42 TYR HB3 1 1 18 17293 1 1 42 TYR HD1 H -10.608 13.866 4.119 1.00 . A A . 42 TYR HD1 1 1 18 17294 1 1 42 TYR HD2 H -14.393 14.140 2.072 1.00 . A A . 42 TYR HD2 1 1 18 17295 1 1 42 TYR HE1 H -9.971 16.055 3.191 1.00 . A A . 42 TYR HE1 1 1 18 17296 1 1 42 TYR HE2 H -13.715 16.256 1.086 1.00 . A A . 42 TYR HE2 1 1 18 17297 1 1 42 TYR HH H -12.129 17.827 0.896 1.00 . A A . 42 TYR HH 1 1 18 17298 1 1 42 TYR N N -11.089 11.404 2.452 1.00 . A A . 42 TYR N 1 1 18 17299 1 1 42 TYR O O -14.252 12.040 1.167 1.00 . A A . 42 TYR O 1 1 18 17300 1 1 42 TYR OH O -11.397 17.515 1.475 1.00 . A A . 42 TYR OH 1 1 18 17301 1 1 43 SER C C -15.664 9.238 0.182 1.00 . A A . 43 SER C 1 1 18 17302 1 1 43 SER CA C -14.263 9.674 -0.265 1.00 . A A . 43 SER CA 1 1 18 17303 1 1 43 SER CB C -13.541 8.640 -1.170 1.00 . A A . 43 SER CB 1 1 18 17304 1 1 43 SER H H -12.553 9.551 0.978 1.00 . A A . 43 SER H 1 1 18 17305 1 1 43 SER HA H -14.448 10.505 -0.910 1.00 . A A . 43 SER HA 1 1 18 17306 1 1 43 SER HB2 H -13.269 7.745 -0.564 1.00 . A A . 43 SER HB2 1 1 18 17307 1 1 43 SER HB3 H -14.180 8.338 -2.029 1.00 . A A . 43 SER HB3 1 1 18 17308 1 1 43 SER HG H -11.720 8.495 -1.922 1.00 . A A . 43 SER HG 1 1 18 17309 1 1 43 SER N N -13.297 10.147 0.728 1.00 . A A . 43 SER N 1 1 18 17310 1 1 43 SER O O -16.287 9.787 1.089 1.00 . A A . 43 SER O 1 1 18 17311 1 1 43 SER OG O -12.346 9.216 -1.709 1.00 . A A . 43 SER OG 1 1 18 17312 1 1 44 ASN C C -16.944 5.909 -0.593 1.00 . A A . 44 ASN C 1 1 18 17313 1 1 44 ASN CA C -17.272 7.325 -0.102 1.00 . A A . 44 ASN CA 1 1 18 17314 1 1 44 ASN CB C -18.548 7.826 -0.817 1.00 . A A . 44 ASN CB 1 1 18 17315 1 1 44 ASN CG C -19.810 7.045 -0.438 1.00 . A A . 44 ASN CG 1 1 18 17316 1 1 44 ASN H H -15.746 7.846 -1.295 1.00 . A A . 44 ASN H 1 1 18 17317 1 1 44 ASN HA H -17.407 7.337 0.961 1.00 . A A . 44 ASN HA 1 1 18 17318 1 1 44 ASN HB2 H -18.694 8.880 -0.525 1.00 . A A . 44 ASN HB2 1 1 18 17319 1 1 44 ASN HB3 H -18.387 7.820 -1.911 1.00 . A A . 44 ASN HB3 1 1 18 17320 1 1 44 ASN HD21 H -19.241 5.438 -1.555 1.00 . A A . 44 ASN HD21 1 1 18 17321 1 1 44 ASN HD22 H -20.742 5.255 -0.732 1.00 . A A . 44 ASN HD22 1 1 18 17322 1 1 44 ASN N N -16.149 8.142 -0.446 1.00 . A A . 44 ASN N 1 1 18 17323 1 1 44 ASN ND2 N -19.938 5.803 -0.947 1.00 . A A . 44 ASN ND2 1 1 18 17324 1 1 44 ASN O O -16.986 5.656 -1.797 1.00 . A A . 44 ASN O 1 1 18 17325 1 1 44 ASN OD1 O -20.680 7.534 0.288 1.00 . A A . 44 ASN OD1 1 1 18 17326 1 1 45 PRO C C -14.747 5.762 1.624 1.00 . A A . 45 PRO C 1 1 18 17327 1 1 45 PRO CA C -16.153 5.170 1.635 1.00 . A A . 45 PRO CA 1 1 18 17328 1 1 45 PRO CB C -16.188 3.740 2.190 1.00 . A A . 45 PRO CB 1 1 18 17329 1 1 45 PRO CD C -16.437 3.578 -0.185 1.00 . A A . 45 PRO CD 1 1 18 17330 1 1 45 PRO CG C -15.802 2.857 1.002 1.00 . A A . 45 PRO CG 1 1 18 17331 1 1 45 PRO HA H -16.802 5.850 2.164 1.00 . A A . 45 PRO HA 1 1 18 17332 1 1 45 PRO HB2 H -15.546 3.597 3.072 1.00 . A A . 45 PRO HB2 1 1 18 17333 1 1 45 PRO HB3 H -17.221 3.516 2.515 1.00 . A A . 45 PRO HB3 1 1 18 17334 1 1 45 PRO HD2 H -15.767 3.540 -1.075 1.00 . A A . 45 PRO HD2 1 1 18 17335 1 1 45 PRO HD3 H -17.430 3.142 -0.436 1.00 . A A . 45 PRO HD3 1 1 18 17336 1 1 45 PRO HG2 H -14.697 2.850 0.889 1.00 . A A . 45 PRO HG2 1 1 18 17337 1 1 45 PRO HG3 H -16.152 1.814 1.107 1.00 . A A . 45 PRO HG3 1 1 18 17338 1 1 45 PRO N N -16.630 4.958 0.272 1.00 . A A . 45 PRO N 1 1 18 17339 1 1 45 PRO O O -14.195 5.897 0.531 1.00 . A A . 45 PRO O 1 1 18 17340 1 1 46 PRO C C -11.744 5.716 2.284 1.00 . A A . 46 PRO C 1 1 18 17341 1 1 46 PRO CA C -12.789 6.729 2.703 1.00 . A A . 46 PRO CA 1 1 18 17342 1 1 46 PRO CB C -12.574 7.219 4.135 1.00 . A A . 46 PRO CB 1 1 18 17343 1 1 46 PRO CD C -14.738 6.231 4.045 1.00 . A A . 46 PRO CD 1 1 18 17344 1 1 46 PRO CG C -13.535 6.375 4.963 1.00 . A A . 46 PRO CG 1 1 18 17345 1 1 46 PRO HA H -12.756 7.537 1.991 1.00 . A A . 46 PRO HA 1 1 18 17346 1 1 46 PRO HB2 H -11.519 7.140 4.462 1.00 . A A . 46 PRO HB2 1 1 18 17347 1 1 46 PRO HB3 H -12.891 8.281 4.207 1.00 . A A . 46 PRO HB3 1 1 18 17348 1 1 46 PRO HD2 H -15.302 5.296 4.303 1.00 . A A . 46 PRO HD2 1 1 18 17349 1 1 46 PRO HD3 H -15.361 7.162 4.098 1.00 . A A . 46 PRO HD3 1 1 18 17350 1 1 46 PRO HG2 H -13.098 5.369 5.138 1.00 . A A . 46 PRO HG2 1 1 18 17351 1 1 46 PRO HG3 H -13.786 6.868 5.919 1.00 . A A . 46 PRO HG3 1 1 18 17352 1 1 46 PRO N N -14.131 6.163 2.722 1.00 . A A . 46 PRO N 1 1 18 17353 1 1 46 PRO O O -11.923 4.515 2.467 1.00 . A A . 46 PRO O 1 1 18 17354 1 1 47 GLN C C -8.401 6.054 1.168 1.00 . A A . 47 GLN C 1 1 18 17355 1 1 47 GLN CA C -9.724 5.375 0.946 1.00 . A A . 47 GLN CA 1 1 18 17356 1 1 47 GLN CB C -10.078 5.298 -0.562 1.00 . A A . 47 GLN CB 1 1 18 17357 1 1 47 GLN CD C -11.167 2.922 -1.069 1.00 . A A . 47 GLN CD 1 1 18 17358 1 1 47 GLN CG C -11.331 4.441 -0.902 1.00 . A A . 47 GLN CG 1 1 18 17359 1 1 47 GLN H H -10.462 7.174 1.651 1.00 . A A . 47 GLN H 1 1 18 17360 1 1 47 GLN HA H -9.651 4.413 1.425 1.00 . A A . 47 GLN HA 1 1 18 17361 1 1 47 GLN HB2 H -10.314 6.342 -0.876 1.00 . A A . 47 GLN HB2 1 1 18 17362 1 1 47 GLN HB3 H -9.222 4.982 -1.179 1.00 . A A . 47 GLN HB3 1 1 18 17363 1 1 47 GLN HE21 H -9.322 2.799 -0.182 1.00 . A A . 47 GLN HE21 1 1 18 17364 1 1 47 GLN HE22 H -9.939 1.353 -0.894 1.00 . A A . 47 GLN HE22 1 1 18 17365 1 1 47 GLN HG2 H -12.113 4.605 -0.134 1.00 . A A . 47 GLN HG2 1 1 18 17366 1 1 47 GLN HG3 H -11.741 4.804 -1.870 1.00 . A A . 47 GLN HG3 1 1 18 17367 1 1 47 GLN N N -10.672 6.196 1.647 1.00 . A A . 47 GLN N 1 1 18 17368 1 1 47 GLN NE2 N -10.017 2.324 -0.703 1.00 . A A . 47 GLN NE2 1 1 18 17369 1 1 47 GLN O O -8.340 7.249 1.453 1.00 . A A . 47 GLN O 1 1 18 17370 1 1 47 GLN OE1 O -12.083 2.263 -1.563 1.00 . A A . 47 GLN OE1 1 1 18 17371 1 1 48 CYS C C -4.891 5.147 1.410 1.00 . A A . 48 CYS C 1 1 18 17372 1 1 48 CYS CA C -6.173 5.721 1.941 1.00 . A A . 48 CYS CA 1 1 18 17373 1 1 48 CYS CB C -6.301 5.137 3.389 1.00 . A A . 48 CYS CB 1 1 18 17374 1 1 48 CYS H H -7.341 4.346 0.911 1.00 . A A . 48 CYS H 1 1 18 17375 1 1 48 CYS HA H -6.047 6.791 1.946 1.00 . A A . 48 CYS HA 1 1 18 17376 1 1 48 CYS HB2 H -6.229 4.028 3.304 1.00 . A A . 48 CYS HB2 1 1 18 17377 1 1 48 CYS HB3 H -5.448 5.491 4.006 1.00 . A A . 48 CYS HB3 1 1 18 17378 1 1 48 CYS N N -7.287 5.320 1.115 1.00 . A A . 48 CYS N 1 1 18 17379 1 1 48 CYS O O -4.843 4.077 0.805 1.00 . A A . 48 CYS O 1 1 18 17380 1 1 48 CYS SG S -7.869 5.425 4.282 1.00 . A A . 48 CYS SG 1 1 18 17381 1 1 49 GLN C C -1.553 5.814 2.281 1.00 . A A . 49 GLN C 1 1 18 17382 1 1 49 GLN CA C -2.497 5.688 1.106 1.00 . A A . 49 GLN CA 1 1 18 17383 1 1 49 GLN CB C -2.190 6.763 0.036 1.00 . A A . 49 GLN CB 1 1 18 17384 1 1 49 GLN CD C -3.017 7.749 -2.136 1.00 . A A . 49 GLN CD 1 1 18 17385 1 1 49 GLN CG C -2.846 6.463 -1.331 1.00 . A A . 49 GLN CG 1 1 18 17386 1 1 49 GLN H H -3.900 6.768 2.136 1.00 . A A . 49 GLN H 1 1 18 17387 1 1 49 GLN HA H -2.389 4.691 0.721 1.00 . A A . 49 GLN HA 1 1 18 17388 1 1 49 GLN HB2 H -2.601 7.721 0.433 1.00 . A A . 49 GLN HB2 1 1 18 17389 1 1 49 GLN HB3 H -1.102 6.893 -0.141 1.00 . A A . 49 GLN HB3 1 1 18 17390 1 1 49 GLN HE21 H -4.616 8.270 -0.990 1.00 . A A . 49 GLN HE21 1 1 18 17391 1 1 49 GLN HE22 H -4.276 9.325 -2.331 1.00 . A A . 49 GLN HE22 1 1 18 17392 1 1 49 GLN HG2 H -2.218 5.757 -1.914 1.00 . A A . 49 GLN HG2 1 1 18 17393 1 1 49 GLN HG3 H -3.839 5.992 -1.185 1.00 . A A . 49 GLN HG3 1 1 18 17394 1 1 49 GLN N N -3.820 5.924 1.604 1.00 . A A . 49 GLN N 1 1 18 17395 1 1 49 GLN NE2 N -4.057 8.529 -1.767 1.00 . A A . 49 GLN NE2 1 1 18 17396 1 1 49 GLN O O -1.931 6.199 3.387 1.00 . A A . 49 GLN O 1 1 18 17397 1 1 49 GLN OE1 O -2.238 8.102 -3.024 1.00 . A A . 49 GLN OE1 1 1 18 17398 1 1 50 CYS C C 1.517 6.990 2.703 1.00 . A A . 50 CYS C 1 1 18 17399 1 1 50 CYS CA C 0.769 5.723 3.053 1.00 . A A . 50 CYS CA 1 1 18 17400 1 1 50 CYS CB C 1.747 4.523 3.129 1.00 . A A . 50 CYS CB 1 1 18 17401 1 1 50 CYS H H -0.005 5.159 1.172 1.00 . A A . 50 CYS H 1 1 18 17402 1 1 50 CYS HA H 0.346 5.900 4.036 1.00 . A A . 50 CYS HA 1 1 18 17403 1 1 50 CYS HB2 H 2.112 4.299 2.104 1.00 . A A . 50 CYS HB2 1 1 18 17404 1 1 50 CYS HB3 H 2.641 4.781 3.735 1.00 . A A . 50 CYS HB3 1 1 18 17405 1 1 50 CYS N N -0.275 5.488 2.070 1.00 . A A . 50 CYS N 1 1 18 17406 1 1 50 CYS O O 1.853 7.231 1.549 1.00 . A A . 50 CYS O 1 1 18 17407 1 1 50 CYS SG S 0.926 3.055 3.834 1.00 . A A . 50 CYS SG 1 1 18 17408 1 1 51 TYR C C 3.918 8.872 2.972 1.00 . A A . 51 TYR C 1 1 18 17409 1 1 51 TYR CA C 2.555 9.067 3.612 1.00 . A A . 51 TYR CA 1 1 18 17410 1 1 51 TYR CB C 2.799 9.629 5.033 1.00 . A A . 51 TYR CB 1 1 18 17411 1 1 51 TYR CD1 C 1.921 11.966 4.886 1.00 . A A . 51 TYR CD1 1 1 18 17412 1 1 51 TYR CD2 C 0.802 10.433 6.379 1.00 . A A . 51 TYR CD2 1 1 18 17413 1 1 51 TYR CE1 C 1.089 12.997 5.317 1.00 . A A . 51 TYR CE1 1 1 18 17414 1 1 51 TYR CE2 C -0.016 11.474 6.834 1.00 . A A . 51 TYR CE2 1 1 18 17415 1 1 51 TYR CG C 1.803 10.674 5.425 1.00 . A A . 51 TYR CG 1 1 18 17416 1 1 51 TYR CZ C 0.128 12.757 6.300 1.00 . A A . 51 TYR CZ 1 1 18 17417 1 1 51 TYR H H 1.454 7.626 4.639 1.00 . A A . 51 TYR H 1 1 18 17418 1 1 51 TYR HA H 2.018 9.770 2.993 1.00 . A A . 51 TYR HA 1 1 18 17419 1 1 51 TYR HB2 H 2.779 8.800 5.764 1.00 . A A . 51 TYR HB2 1 1 18 17420 1 1 51 TYR HB3 H 3.791 10.116 5.136 1.00 . A A . 51 TYR HB3 1 1 18 17421 1 1 51 TYR HD1 H 2.665 12.206 4.146 1.00 . A A . 51 TYR HD1 1 1 18 17422 1 1 51 TYR HD2 H 0.602 9.447 6.761 1.00 . A A . 51 TYR HD2 1 1 18 17423 1 1 51 TYR HE1 H 1.238 13.975 4.888 1.00 . A A . 51 TYR HE1 1 1 18 17424 1 1 51 TYR HE2 H -0.770 11.245 7.570 1.00 . A A . 51 TYR HE2 1 1 18 17425 1 1 51 TYR HH H -0.656 14.500 6.042 1.00 . A A . 51 TYR HH 1 1 18 17426 1 1 51 TYR N N 1.762 7.853 3.711 1.00 . A A . 51 TYR N 1 1 18 17427 1 1 51 TYR O O 4.256 9.410 1.919 1.00 . A A . 51 TYR O 1 1 18 17428 1 1 51 TYR OH O -0.702 13.805 6.732 1.00 . A A . 51 TYR OH 1 1 18 17429 1 1 52 ASP C C 6.274 6.574 2.590 1.00 . A A . 52 ASP C 1 1 18 17430 1 1 52 ASP CA C 6.125 7.857 3.391 1.00 . A A . 52 ASP CA 1 1 18 17431 1 1 52 ASP CB C 6.929 7.820 4.725 1.00 . A A . 52 ASP CB 1 1 18 17432 1 1 52 ASP CG C 8.391 8.187 4.540 1.00 . A A . 52 ASP CG 1 1 18 17433 1 1 52 ASP H H 4.322 7.609 4.451 1.00 . A A . 52 ASP H 1 1 18 17434 1 1 52 ASP HA H 6.496 8.659 2.764 1.00 . A A . 52 ASP HA 1 1 18 17435 1 1 52 ASP HB2 H 6.514 8.578 5.425 1.00 . A A . 52 ASP HB2 1 1 18 17436 1 1 52 ASP HB3 H 6.844 6.829 5.210 1.00 . A A . 52 ASP HB3 1 1 18 17437 1 1 52 ASP HD2 H 10.141 7.406 4.613 1.00 . A A . 52 ASP HD2 1 1 18 17438 1 1 52 ASP N N 4.733 8.083 3.681 1.00 . A A . 52 ASP N 1 1 18 17439 1 1 52 ASP O O 5.362 5.759 2.460 1.00 . A A . 52 ASP O 1 1 18 17440 1 1 52 ASP OD1 O 8.822 9.295 4.270 1.00 . A A . 52 ASP OD1 1 1 18 17441 1 1 52 ASP OD2 O 9.226 7.124 4.702 1.00 . A A . 52 ASP OD2 1 1 18 17442 1 1 53 THR C C 7.964 3.974 2.333 1.00 . A A . 53 THR C 1 1 18 17443 1 1 53 THR CA C 7.903 5.155 1.384 1.00 . A A . 53 THR CA 1 1 18 17444 1 1 53 THR CB C 9.271 5.342 0.729 1.00 . A A . 53 THR CB 1 1 18 17445 1 1 53 THR CG2 C 9.079 5.989 -0.649 1.00 . A A . 53 THR CG2 1 1 18 17446 1 1 53 THR H H 8.215 7.032 2.127 1.00 . A A . 53 THR H 1 1 18 17447 1 1 53 THR HA H 7.177 4.906 0.627 1.00 . A A . 53 THR HA 1 1 18 17448 1 1 53 THR HB H 9.798 4.371 0.601 1.00 . A A . 53 THR HB 1 1 18 17449 1 1 53 THR HG1 H 10.940 6.329 1.088 1.00 . A A . 53 THR HG1 1 1 18 17450 1 1 53 THR HG21 H 8.569 6.971 -0.554 1.00 . A A . 53 THR HG21 1 1 18 17451 1 1 53 THR HG22 H 8.465 5.337 -1.304 1.00 . A A . 53 THR HG22 1 1 18 17452 1 1 53 THR HG23 H 10.059 6.152 -1.148 1.00 . A A . 53 THR HG23 1 1 18 17453 1 1 53 THR N N 7.471 6.374 2.035 1.00 . A A . 53 THR N 1 1 18 17454 1 1 53 THR O O 8.037 4.104 3.553 1.00 . A A . 53 THR O 1 1 18 17455 1 1 53 THR OG1 O 10.065 6.230 1.509 1.00 . A A . 53 THR OG1 1 1 18 17456 1 1 54 HIS C C 8.820 0.568 1.650 1.00 . A A . 54 HIS C 1 1 18 17457 1 1 54 HIS CA C 8.137 1.549 2.550 1.00 . A A . 54 HIS CA 1 1 18 17458 1 1 54 HIS CB C 6.864 0.952 3.196 1.00 . A A . 54 HIS CB 1 1 18 17459 1 1 54 HIS CD2 C 7.488 -0.678 5.180 1.00 . A A . 54 HIS CD2 1 1 18 17460 1 1 54 HIS CE1 C 6.827 -2.507 4.186 1.00 . A A . 54 HIS CE1 1 1 18 17461 1 1 54 HIS CG C 7.032 -0.350 3.942 1.00 . A A . 54 HIS CG 1 1 18 17462 1 1 54 HIS H H 7.868 2.630 0.792 1.00 . A A . 54 HIS H 1 1 18 17463 1 1 54 HIS HA H 8.848 1.776 3.311 1.00 . A A . 54 HIS HA 1 1 18 17464 1 1 54 HIS HB2 H 6.488 1.715 3.908 1.00 . A A . 54 HIS HB2 1 1 18 17465 1 1 54 HIS HB3 H 6.103 0.778 2.405 1.00 . A A . 54 HIS HB3 1 1 18 17466 1 1 54 HIS HD1 H 6.212 -1.584 2.440 1.00 . A A . 54 HIS HD1 1 1 18 17467 1 1 54 HIS HD2 H 7.881 -0.067 5.986 1.00 . A A . 54 HIS HD2 1 1 18 17468 1 1 54 HIS HE1 H 6.590 -3.525 3.973 1.00 . A A . 54 HIS HE1 1 1 18 17469 1 1 54 HIS HE2 H 7.619 -2.579 6.102 1.00 . A A . 54 HIS HE2 1 1 18 17470 1 1 54 HIS N N 7.914 2.750 1.787 1.00 . A A . 54 HIS N 1 1 18 17471 1 1 54 HIS ND1 N 6.620 -1.508 3.348 1.00 . A A . 54 HIS ND1 1 1 18 17472 1 1 54 HIS NE2 N 7.356 -2.037 5.302 1.00 . A A . 54 HIS NE2 1 1 18 17473 1 1 54 HIS O O 8.433 0.373 0.502 1.00 . A A . 54 HIS O 1 1 18 17474 1 1 55 LYS C C 10.210 -2.338 1.112 1.00 . A A . 55 LYS C 1 1 18 17475 1 1 55 LYS CA C 10.753 -0.934 1.386 1.00 . A A . 55 LYS CA 1 1 18 17476 1 1 55 LYS CB C 12.152 -0.999 2.037 1.00 . A A . 55 LYS CB 1 1 18 17477 1 1 55 LYS CD C 13.695 -1.744 3.898 1.00 . A A . 55 LYS CD 1 1 18 17478 1 1 55 LYS CE C 13.808 -2.092 5.382 1.00 . A A . 55 LYS CE 1 1 18 17479 1 1 55 LYS CG C 12.237 -1.643 3.431 1.00 . A A . 55 LYS CG 1 1 18 17480 1 1 55 LYS H H 10.194 0.208 3.067 1.00 . A A . 55 LYS H 1 1 18 17481 1 1 55 LYS HA H 10.884 -0.491 0.414 1.00 . A A . 55 LYS HA 1 1 18 17482 1 1 55 LYS HB2 H 12.832 -1.551 1.357 1.00 . A A . 55 LYS HB2 1 1 18 17483 1 1 55 LYS HB3 H 12.536 0.038 2.114 1.00 . A A . 55 LYS HB3 1 1 18 17484 1 1 55 LYS HD2 H 14.212 -2.516 3.281 1.00 . A A . 55 LYS HD2 1 1 18 17485 1 1 55 LYS HD3 H 14.188 -0.763 3.724 1.00 . A A . 55 LYS HD3 1 1 18 17486 1 1 55 LYS HE2 H 13.379 -1.274 5.999 1.00 . A A . 55 LYS HE2 1 1 18 17487 1 1 55 LYS HE3 H 13.266 -3.035 5.602 1.00 . A A . 55 LYS HE3 1 1 18 17488 1 1 55 LYS HG2 H 11.679 -1.040 4.178 1.00 . A A . 55 LYS HG2 1 1 18 17489 1 1 55 LYS HG3 H 11.790 -2.665 3.420 1.00 . A A . 55 LYS HG3 1 1 18 17490 1 1 55 LYS HZ1 H 15.284 -2.495 6.788 1.00 . A A . 55 LYS HZ1 1 1 18 17491 1 1 55 LYS HZ2 H 15.756 -1.397 5.586 1.00 . A A . 55 LYS HZ2 1 1 18 17492 1 1 55 LYS HZ3 H 15.644 -3.051 5.227 1.00 . A A . 55 LYS HZ3 1 1 18 17493 1 1 55 LYS N N 9.892 -0.046 2.146 1.00 . A A . 55 LYS N 1 1 18 17494 1 1 55 LYS NZ N 15.225 -2.271 5.773 1.00 . A A . 55 LYS NZ 1 1 18 17495 1 1 55 LYS O O 10.923 -3.336 1.135 1.00 . A A . 55 LYS O 1 1 18 17496 1 1 56 PHE C C 7.007 -3.558 -0.226 1.00 . A A . 56 PHE C 1 1 18 17497 1 1 56 PHE CA C 8.300 -3.727 0.543 1.00 . A A . 56 PHE CA 1 1 18 17498 1 1 56 PHE CB C 7.986 -4.475 1.863 1.00 . A A . 56 PHE CB 1 1 18 17499 1 1 56 PHE CD1 C 9.453 -6.480 1.674 1.00 . A A . 56 PHE CD1 1 1 18 17500 1 1 56 PHE CD2 C 7.059 -6.805 1.539 1.00 . A A . 56 PHE CD2 1 1 18 17501 1 1 56 PHE CE1 C 9.649 -7.857 1.544 1.00 . A A . 56 PHE CE1 1 1 18 17502 1 1 56 PHE CE2 C 7.249 -8.185 1.417 1.00 . A A . 56 PHE CE2 1 1 18 17503 1 1 56 PHE CG C 8.159 -5.947 1.687 1.00 . A A . 56 PHE CG 1 1 18 17504 1 1 56 PHE CZ C 8.546 -8.709 1.425 1.00 . A A . 56 PHE CZ 1 1 18 17505 1 1 56 PHE H H 8.365 -1.617 0.681 1.00 . A A . 56 PHE H 1 1 18 17506 1 1 56 PHE HA H 8.976 -4.302 -0.079 1.00 . A A . 56 PHE HA 1 1 18 17507 1 1 56 PHE HB2 H 8.708 -4.162 2.648 1.00 . A A . 56 PHE HB2 1 1 18 17508 1 1 56 PHE HB3 H 6.962 -4.268 2.231 1.00 . A A . 56 PHE HB3 1 1 18 17509 1 1 56 PHE HD1 H 10.312 -5.826 1.772 1.00 . A A . 56 PHE HD1 1 1 18 17510 1 1 56 PHE HD2 H 6.057 -6.410 1.518 1.00 . A A . 56 PHE HD2 1 1 18 17511 1 1 56 PHE HE1 H 10.653 -8.247 1.545 1.00 . A A . 56 PHE HE1 1 1 18 17512 1 1 56 PHE HE2 H 6.397 -8.842 1.320 1.00 . A A . 56 PHE HE2 1 1 18 17513 1 1 56 PHE HZ H 8.692 -9.775 1.343 1.00 . A A . 56 PHE HZ 1 1 18 17514 1 1 56 PHE N N 8.910 -2.445 0.801 1.00 . A A . 56 PHE N 1 1 18 17515 1 1 56 PHE O O 6.232 -2.628 0.009 1.00 . A A . 56 PHE O 1 1 18 17516 1 1 57 CYS C C 4.927 -6.008 -1.356 1.00 . A A . 57 CYS C 1 1 18 17517 1 1 57 CYS CA C 5.440 -4.648 -1.775 1.00 . A A . 57 CYS CA 1 1 18 17518 1 1 57 CYS CB C 5.524 -4.549 -3.317 1.00 . A A . 57 CYS CB 1 1 18 17519 1 1 57 CYS H H 7.365 -5.240 -1.324 1.00 . A A . 57 CYS H 1 1 18 17520 1 1 57 CYS HA H 4.739 -3.912 -1.409 1.00 . A A . 57 CYS HA 1 1 18 17521 1 1 57 CYS HB2 H 6.137 -5.401 -3.683 1.00 . A A . 57 CYS HB2 1 1 18 17522 1 1 57 CYS HB3 H 4.507 -4.650 -3.753 1.00 . A A . 57 CYS HB3 1 1 18 17523 1 1 57 CYS N N 6.724 -4.499 -1.138 1.00 . A A . 57 CYS N 1 1 18 17524 1 1 57 CYS O O 5.521 -7.045 -1.641 1.00 . A A . 57 CYS O 1 1 18 17525 1 1 57 CYS SG S 6.313 -2.998 -3.867 1.00 . A A . 57 CYS SG 1 1 18 17526 1 1 58 TYR C C 2.360 -7.930 -1.123 1.00 . A A . 58 TYR C 1 1 18 17527 1 1 58 TYR CA C 3.226 -7.244 -0.084 1.00 . A A . 58 TYR CA 1 1 18 17528 1 1 58 TYR CB C 2.368 -6.939 1.163 1.00 . A A . 58 TYR CB 1 1 18 17529 1 1 58 TYR CD1 C 3.850 -7.833 2.979 1.00 . A A . 58 TYR CD1 1 1 18 17530 1 1 58 TYR CD2 C 3.505 -5.440 2.869 1.00 . A A . 58 TYR CD2 1 1 18 17531 1 1 58 TYR CE1 C 4.689 -7.666 4.082 1.00 . A A . 58 TYR CE1 1 1 18 17532 1 1 58 TYR CE2 C 4.334 -5.274 3.986 1.00 . A A . 58 TYR CE2 1 1 18 17533 1 1 58 TYR CG C 3.250 -6.725 2.357 1.00 . A A . 58 TYR CG 1 1 18 17534 1 1 58 TYR CZ C 4.931 -6.387 4.589 1.00 . A A . 58 TYR CZ 1 1 18 17535 1 1 58 TYR H H 3.386 -5.168 -0.359 1.00 . A A . 58 TYR H 1 1 18 17536 1 1 58 TYR HA H 3.993 -7.966 0.176 1.00 . A A . 58 TYR HA 1 1 18 17537 1 1 58 TYR HB2 H 1.729 -6.052 0.993 1.00 . A A . 58 TYR HB2 1 1 18 17538 1 1 58 TYR HB3 H 1.690 -7.781 1.411 1.00 . A A . 58 TYR HB3 1 1 18 17539 1 1 58 TYR HD1 H 3.697 -8.839 2.619 1.00 . A A . 58 TYR HD1 1 1 18 17540 1 1 58 TYR HD2 H 3.068 -4.565 2.417 1.00 . A A . 58 TYR HD2 1 1 18 17541 1 1 58 TYR HE1 H 5.135 -8.547 4.516 1.00 . A A . 58 TYR HE1 1 1 18 17542 1 1 58 TYR HE2 H 4.502 -4.285 4.373 1.00 . A A . 58 TYR HE2 1 1 18 17543 1 1 58 TYR HH H 6.195 -7.091 5.863 1.00 . A A . 58 TYR HH 1 1 18 17544 1 1 58 TYR N N 3.825 -6.024 -0.594 1.00 . A A . 58 TYR N 1 1 18 17545 1 1 58 TYR O O 2.105 -7.400 -2.201 1.00 . A A . 58 TYR O 1 1 18 17546 1 1 58 TYR OH O 5.779 -6.221 5.695 1.00 . A A . 58 TYR OH 1 1 18 17547 1 1 59 LYS C C -0.235 -9.273 -2.109 1.00 . A A . 59 LYS C 1 1 18 17548 1 1 59 LYS CA C 1.024 -9.970 -1.604 1.00 . A A . 59 LYS CA 1 1 18 17549 1 1 59 LYS CB C 0.633 -11.266 -0.862 1.00 . A A . 59 LYS CB 1 1 18 17550 1 1 59 LYS CD C 1.336 -13.495 0.132 1.00 . A A . 59 LYS CD 1 1 18 17551 1 1 59 LYS CE C 2.496 -14.413 0.530 1.00 . A A . 59 LYS CE 1 1 18 17552 1 1 59 LYS CG C 1.807 -12.213 -0.569 1.00 . A A . 59 LYS CG 1 1 18 17553 1 1 59 LYS H H 2.187 -9.573 0.050 1.00 . A A . 59 LYS H 1 1 18 17554 1 1 59 LYS HA H 1.582 -10.252 -2.480 1.00 . A A . 59 LYS HA 1 1 18 17555 1 1 59 LYS HB2 H 0.146 -10.988 0.097 1.00 . A A . 59 LYS HB2 1 1 18 17556 1 1 59 LYS HB3 H -0.110 -11.825 -1.477 1.00 . A A . 59 LYS HB3 1 1 18 17557 1 1 59 LYS HD2 H 0.776 -13.209 1.050 1.00 . A A . 59 LYS HD2 1 1 18 17558 1 1 59 LYS HD3 H 0.639 -14.043 -0.538 1.00 . A A . 59 LYS HD3 1 1 18 17559 1 1 59 LYS HE2 H 3.057 -14.759 -0.361 1.00 . A A . 59 LYS HE2 1 1 18 17560 1 1 59 LYS HE3 H 3.184 -13.867 1.209 1.00 . A A . 59 LYS HE3 1 1 18 17561 1 1 59 LYS HG2 H 2.319 -12.488 -1.519 1.00 . A A . 59 LYS HG2 1 1 18 17562 1 1 59 LYS HG3 H 2.561 -11.728 0.089 1.00 . A A . 59 LYS HG3 1 1 18 17563 1 1 59 LYS HZ1 H 2.798 -16.128 1.658 1.00 . A A . 59 LYS HZ1 1 1 18 17564 1 1 59 LYS HZ2 H 1.478 -16.219 0.592 1.00 . A A . 59 LYS HZ2 1 1 18 17565 1 1 59 LYS HZ3 H 1.358 -15.304 2.016 1.00 . A A . 59 LYS HZ3 1 1 18 17566 1 1 59 LYS N N 1.911 -9.156 -0.805 1.00 . A A . 59 LYS N 1 1 18 17567 1 1 59 LYS NZ N 1.998 -15.604 1.252 1.00 . A A . 59 LYS NZ 1 1 18 17568 1 1 59 LYS O O -0.737 -8.304 -1.530 1.00 . A A . 59 LYS O 1 1 18 17569 1 1 60 ALA C C -3.186 -9.181 -3.114 1.00 . A A . 60 ALA C 1 1 18 17570 1 1 60 ALA CA C -1.900 -9.212 -3.921 1.00 . A A . 60 ALA CA 1 1 18 17571 1 1 60 ALA CB C -2.113 -9.944 -5.248 1.00 . A A . 60 ALA CB 1 1 18 17572 1 1 60 ALA H H -0.327 -10.547 -3.689 1.00 . A A . 60 ALA H 1 1 18 17573 1 1 60 ALA HA H -1.663 -8.185 -4.135 1.00 . A A . 60 ALA HA 1 1 18 17574 1 1 60 ALA HB1 H -2.922 -9.463 -5.836 1.00 . A A . 60 ALA HB1 1 1 18 17575 1 1 60 ALA HB2 H -2.374 -11.009 -5.068 1.00 . A A . 60 ALA HB2 1 1 18 17576 1 1 60 ALA HB3 H -1.171 -9.915 -5.836 1.00 . A A . 60 ALA HB3 1 1 18 17577 1 1 60 ALA N N -0.763 -9.772 -3.239 1.00 . A A . 60 ALA N 1 1 18 17578 1 1 60 ALA O O -3.659 -10.170 -2.557 1.00 . A A . 60 ALA O 1 1 18 17579 1 1 61 CYS C C -6.224 -7.986 -2.891 1.00 . A A . 61 CYS C 1 1 18 17580 1 1 61 CYS CA C -4.919 -7.753 -2.178 1.00 . A A . 61 CYS CA 1 1 18 17581 1 1 61 CYS CB C -4.917 -6.320 -1.584 1.00 . A A . 61 CYS CB 1 1 18 17582 1 1 61 CYS H H -3.441 -7.216 -3.547 1.00 . A A . 61 CYS H 1 1 18 17583 1 1 61 CYS HA H -4.876 -8.456 -1.361 1.00 . A A . 61 CYS HA 1 1 18 17584 1 1 61 CYS HB2 H -3.862 -5.975 -1.584 1.00 . A A . 61 CYS HB2 1 1 18 17585 1 1 61 CYS HB3 H -5.476 -5.619 -2.238 1.00 . A A . 61 CYS HB3 1 1 18 17586 1 1 61 CYS N N -3.780 -7.984 -3.019 1.00 . A A . 61 CYS N 1 1 18 17587 1 1 61 CYS O O -6.321 -8.279 -4.079 1.00 . A A . 61 CYS O 1 1 18 17588 1 1 61 CYS SG S -5.548 -6.281 0.128 1.00 . A A . 61 CYS SG 1 1 18 17589 1 1 62 HIS C C -9.474 -6.928 -1.989 1.00 . A A . 62 HIS C 1 1 18 17590 1 1 62 HIS CA C -8.643 -8.035 -2.591 1.00 . A A . 62 HIS CA 1 1 18 17591 1 1 62 HIS CB C -9.180 -9.407 -2.143 1.00 . A A . 62 HIS CB 1 1 18 17592 1 1 62 HIS CD2 C -7.131 -10.962 -1.732 1.00 . A A . 62 HIS CD2 1 1 18 17593 1 1 62 HIS CE1 C -6.992 -11.774 -3.752 1.00 . A A . 62 HIS CE1 1 1 18 17594 1 1 62 HIS CG C -8.184 -10.493 -2.451 1.00 . A A . 62 HIS CG 1 1 18 17595 1 1 62 HIS H H -7.177 -7.610 -1.164 1.00 . A A . 62 HIS H 1 1 18 17596 1 1 62 HIS HA H -8.667 -7.954 -3.669 1.00 . A A . 62 HIS HA 1 1 18 17597 1 1 62 HIS HB2 H -9.344 -9.416 -1.047 1.00 . A A . 62 HIS HB2 1 1 18 17598 1 1 62 HIS HB3 H -10.145 -9.631 -2.642 1.00 . A A . 62 HIS HB3 1 1 18 17599 1 1 62 HIS HD1 H -8.668 -10.808 -4.484 1.00 . A A . 62 HIS HD1 1 1 18 17600 1 1 62 HIS HD2 H -6.814 -10.724 -0.722 1.00 . A A . 62 HIS HD2 1 1 18 17601 1 1 62 HIS HE1 H -6.658 -12.295 -4.622 1.00 . A A . 62 HIS HE1 1 1 18 17602 1 1 62 HIS HE2 H -5.520 -12.188 -2.347 1.00 . A A . 62 HIS HE2 1 1 18 17603 1 1 62 HIS N N -7.300 -7.863 -2.119 1.00 . A A . 62 HIS N 1 1 18 17604 1 1 62 HIS ND1 N -8.072 -11.013 -3.707 1.00 . A A . 62 HIS ND1 1 1 18 17605 1 1 62 HIS NE2 N -6.400 -11.762 -2.568 1.00 . A A . 62 HIS NE2 1 1 18 17606 1 1 62 HIS O O -9.214 -6.514 -0.860 1.00 . A A . 62 HIS O 1 1 18 17607 1 1 63 ASN C C -12.501 -5.231 -3.308 1.00 . A A . 63 ASN C 1 1 18 17608 1 1 63 ASN CA C -11.498 -5.523 -2.223 1.00 . A A . 63 ASN CA 1 1 18 17609 1 1 63 ASN CB C -11.033 -4.212 -1.516 1.00 . A A . 63 ASN CB 1 1 18 17610 1 1 63 ASN CG C -9.982 -3.397 -2.264 1.00 . A A . 63 ASN CG 1 1 18 17611 1 1 63 ASN H H -10.662 -6.755 -3.637 1.00 . A A . 63 ASN H 1 1 18 17612 1 1 63 ASN HA H -12.057 -6.096 -1.519 1.00 . A A . 63 ASN HA 1 1 18 17613 1 1 63 ASN HB2 H -11.918 -3.559 -1.379 1.00 . A A . 63 ASN HB2 1 1 18 17614 1 1 63 ASN HB3 H -10.669 -4.479 -0.508 1.00 . A A . 63 ASN HB3 1 1 18 17615 1 1 63 ASN HD21 H -8.397 -4.386 -1.426 1.00 . A A . 63 ASN HD21 1 1 18 17616 1 1 63 ASN HD22 H -8.005 -3.101 -2.517 1.00 . A A . 63 ASN HD22 1 1 18 17617 1 1 63 ASN N N -10.481 -6.420 -2.717 1.00 . A A . 63 ASN N 1 1 18 17618 1 1 63 ASN ND2 N -8.678 -3.627 -2.001 1.00 . A A . 63 ASN ND2 1 1 18 17619 1 1 63 ASN O O -13.699 -5.420 -3.125 1.00 . A A . 63 ASN O 1 1 18 17620 1 1 63 ASN OD1 O -10.322 -2.570 -3.113 1.00 . A A . 63 ASN OD1 1 1 18 17621 1 1 64 SER C C -12.321 -4.620 -6.911 1.00 . A A . 64 SER C 1 1 18 17622 1 1 64 SER CA C -12.891 -4.309 -5.536 1.00 . A A . 64 SER CA 1 1 18 17623 1 1 64 SER CB C -13.166 -2.787 -5.401 1.00 . A A . 64 SER CB 1 1 18 17624 1 1 64 SER H H -11.044 -4.532 -4.492 1.00 . A A . 64 SER H 1 1 18 17625 1 1 64 SER HA H -13.824 -4.853 -5.478 1.00 . A A . 64 SER HA 1 1 18 17626 1 1 64 SER HB2 H -13.254 -2.557 -4.312 1.00 . A A . 64 SER HB2 1 1 18 17627 1 1 64 SER HB3 H -12.298 -2.206 -5.785 1.00 . A A . 64 SER HB3 1 1 18 17628 1 1 64 SER HG H -14.467 -1.415 -5.843 1.00 . A A . 64 SER HG 1 1 18 17629 1 1 64 SER N N -12.022 -4.745 -4.454 1.00 . A A . 64 SER N 1 1 18 17630 1 1 64 SER O O -12.824 -4.158 -7.935 1.00 . A A . 64 SER O 1 1 18 17631 1 1 64 SER OG O -14.384 -2.384 -6.038 1.00 . A A . 64 SER OG 1 1 18 17632 1 1 65 GLU C C -11.572 -6.644 -9.178 1.00 . A A . 65 GLU C 1 1 18 17633 1 1 65 GLU CA C -10.627 -5.931 -8.220 1.00 . A A . 65 GLU CA 1 1 18 17634 1 1 65 GLU CB C -9.355 -6.771 -7.925 1.00 . A A . 65 GLU CB 1 1 18 17635 1 1 65 GLU CD C -10.144 -8.549 -6.200 1.00 . A A . 65 GLU CD 1 1 18 17636 1 1 65 GLU CG C -9.514 -8.272 -7.557 1.00 . A A . 65 GLU CG 1 1 18 17637 1 1 65 GLU H H -10.870 -5.839 -6.163 1.00 . A A . 65 GLU H 1 1 18 17638 1 1 65 GLU HA H -10.310 -5.047 -8.739 1.00 . A A . 65 GLU HA 1 1 18 17639 1 1 65 GLU HB2 H -8.722 -6.737 -8.839 1.00 . A A . 65 GLU HB2 1 1 18 17640 1 1 65 GLU HB3 H -8.777 -6.250 -7.132 1.00 . A A . 65 GLU HB3 1 1 18 17641 1 1 65 GLU HE2 H -10.113 -10.418 -6.789 1.00 . A A . 65 GLU HE2 1 1 18 17642 1 1 65 GLU HG2 H -10.090 -8.801 -8.343 1.00 . A A . 65 GLU HG2 1 1 18 17643 1 1 65 GLU HG3 H -8.494 -8.715 -7.525 1.00 . A A . 65 GLU HG3 1 1 18 17644 1 1 65 GLU N N -11.258 -5.454 -6.995 1.00 . A A . 65 GLU N 1 1 18 17645 1 1 65 GLU O O -11.429 -6.622 -10.399 1.00 . A A . 65 GLU O 1 1 18 17646 1 1 65 GLU OE1 O -10.441 -7.723 -5.356 1.00 . A A . 65 GLU OE1 1 1 18 17647 1 1 65 GLU OE2 O -10.331 -9.892 -6.004 1.00 . A A . 65 GLU OE2 1 1 18 17648 1 1 66 ILE C C -14.755 -7.801 -8.002 1.00 . A A . 66 ILE C 1 1 18 17649 1 1 66 ILE CA C -13.755 -7.854 -9.143 1.00 . A A . 66 ILE CA 1 1 18 17650 1 1 66 ILE CB C -13.458 -9.248 -9.677 1.00 . A A . 66 ILE CB 1 1 18 17651 1 1 66 ILE CD1 C -14.188 -11.000 -11.417 1.00 . A A . 66 ILE CD1 1 1 18 17652 1 1 66 ILE CG1 C -14.570 -9.750 -10.622 1.00 . A A . 66 ILE CG1 1 1 18 17653 1 1 66 ILE CG2 C -13.140 -10.233 -8.541 1.00 . A A . 66 ILE CG2 1 1 18 17654 1 1 66 ILE H H -12.638 -7.181 -7.582 1.00 . A A . 66 ILE H 1 1 18 17655 1 1 66 ILE HA H -14.126 -7.233 -9.938 1.00 . A A . 66 ILE HA 1 1 18 17656 1 1 66 ILE HB H -12.540 -9.139 -10.299 1.00 . A A . 66 ILE HB 1 1 18 17657 1 1 66 ILE HD11 H -14.997 -11.267 -12.130 1.00 . A A . 66 ILE HD11 1 1 18 17658 1 1 66 ILE HD12 H -14.029 -11.866 -10.739 1.00 . A A . 66 ILE HD12 1 1 18 17659 1 1 66 ILE HD13 H -13.253 -10.830 -11.993 1.00 . A A . 66 ILE HD13 1 1 18 17660 1 1 66 ILE HG12 H -15.485 -9.967 -10.036 1.00 . A A . 66 ILE HG12 1 1 18 17661 1 1 66 ILE HG13 H -14.807 -8.921 -11.321 1.00 . A A . 66 ILE HG13 1 1 18 17662 1 1 66 ILE HG21 H -12.378 -9.822 -7.850 1.00 . A A . 66 ILE HG21 1 1 18 17663 1 1 66 ILE HG22 H -12.752 -11.180 -8.971 1.00 . A A . 66 ILE HG22 1 1 18 17664 1 1 66 ILE HG23 H -14.051 -10.482 -7.959 1.00 . A A . 66 ILE HG23 1 1 18 17665 1 1 66 ILE N N -12.600 -7.231 -8.572 1.00 . A A . 66 ILE N 1 1 18 17666 1 1 66 ILE O O -14.476 -7.189 -6.970 1.00 . A A . 66 ILE O 1 1 18 17667 1 1 67 GLU C C -16.478 -9.247 -5.809 1.00 . A A . 67 GLU C 1 1 18 17668 1 1 67 GLU CA C -16.940 -8.454 -7.084 1.00 . A A . 67 GLU CA 1 1 18 17669 1 1 67 GLU CB C -18.247 -9.107 -7.598 1.00 . A A . 67 GLU CB 1 1 18 17670 1 1 67 GLU CD C -20.193 -9.050 -9.192 1.00 . A A . 67 GLU CD 1 1 18 17671 1 1 67 GLU CG C -18.956 -8.310 -8.714 1.00 . A A . 67 GLU CG 1 1 18 17672 1 1 67 GLU H H -16.086 -8.934 -8.970 1.00 . A A . 67 GLU H 1 1 18 17673 1 1 67 GLU HA H -17.145 -7.444 -6.755 1.00 . A A . 67 GLU HA 1 1 18 17674 1 1 67 GLU HB2 H -18.024 -10.141 -7.946 1.00 . A A . 67 GLU HB2 1 1 18 17675 1 1 67 GLU HB3 H -18.953 -9.210 -6.743 1.00 . A A . 67 GLU HB3 1 1 18 17676 1 1 67 GLU HE2 H -20.706 -10.585 -10.201 1.00 . A A . 67 GLU HE2 1 1 18 17677 1 1 67 GLU HG2 H -19.283 -7.321 -8.327 1.00 . A A . 67 GLU HG2 1 1 18 17678 1 1 67 GLU HG3 H -18.293 -8.137 -9.586 1.00 . A A . 67 GLU HG3 1 1 18 17679 1 1 67 GLU N N -15.941 -8.399 -8.143 1.00 . A A . 67 GLU N 1 1 18 17680 1 1 67 GLU O O -15.740 -10.381 -6.083 1.00 . A A . 67 GLU O 1 1 18 17681 1 1 67 GLU OXT O -16.720 -8.956 -4.650 1.00 . A A . 67 GLU OXT 1 1 18 17682 1 1 67 GLU OE1 O -21.347 -8.799 -8.892 1.00 . A A . 67 GLU OE1 1 1 18 17683 1 1 67 GLU OE2 O -19.892 -10.082 -10.037 1.00 . A A . 67 GLU OE2 1 1 18 17684 2 2 1 CL CL CL 0.729 1.502 14.249 1.00 . B A . 68 CL CL 1 1 18 17685 3 2 1 CL CL CL 8.021 0.950 -10.906 1.00 . C A . 69 CL CL 1 1 18 17686 4 2 1 CL CL CL -6.210 -11.944 1.617 1.00 . D A . 70 CL CL 1 1 18 17687 5 2 1 CL CL CL -7.567 -4.506 4.248 1.00 . E A . 71 CL CL 1 1 18 17688 6 2 1 CL CL CL -1.043 -15.955 -2.017 1.00 . F A . 72 CL CL 1 1 18 17689 7 2 1 CL CL CL 10.193 1.164 5.558 1.00 . G A . 73 CL CL 1 1 18 17690 8 2 1 CL CL CL -5.245 -4.828 10.773 1.00 . H A . 74 CL CL 1 1 18 17691 9 2 1 CL CL CL 9.216 -4.955 6.473 1.00 . I A . 75 CL CL 1 1 18 17692 10 2 1 CL CL CL 13.672 -3.253 -2.898 1.00 . J A . 76 CL CL 1 1 18 17693 11 2 1 CL CL CL 2.044 -12.972 4.157 1.00 . K A . 77 CL CL 1 1 18 17694 12 2 1 CL CL CL -6.032 8.499 -5.165 1.00 . L A . 78 CL CL 1 1 19 17695 1 1 1 GLY C C -3.055 -0.047 17.190 1.00 . A A . 1 GLY C 1 1 19 17696 1 1 1 GLY CA C -2.897 0.738 18.434 1.00 . A A . 1 GLY CA 1 1 19 17697 1 1 1 GLY H1 H -1.220 1.754 17.760 1.00 . A A . 1 GLY H1 1 1 19 17698 1 1 1 GLY H2 H -2.082 2.555 18.985 1.00 . A A . 1 GLY H2 1 1 19 17699 1 1 1 GLY H3 H -2.695 2.517 17.408 1.00 . A A . 1 GLY H3 1 1 19 17700 1 1 1 GLY HA2 H -2.296 0.179 19.142 1.00 . A A . 1 GLY HA2 1 1 19 17701 1 1 1 GLY HA3 H -3.868 1.020 18.797 1.00 . A A . 1 GLY HA3 1 1 19 17702 1 1 1 GLY N N -2.169 1.980 18.124 1.00 . A A . 1 GLY N 1 1 19 17703 1 1 1 GLY O O -4.139 -0.141 16.616 1.00 . A A . 1 GLY O 1 1 19 17704 1 1 2 ASP C C -0.749 -2.324 15.554 1.00 . A A . 2 ASP C 1 1 19 17705 1 1 2 ASP CA C -1.899 -1.341 15.444 1.00 . A A . 2 ASP CA 1 1 19 17706 1 1 2 ASP CB C -1.542 -0.396 14.256 1.00 . A A . 2 ASP CB 1 1 19 17707 1 1 2 ASP CG C -2.451 0.814 14.176 1.00 . A A . 2 ASP CG 1 1 19 17708 1 1 2 ASP H H -1.103 -0.552 17.213 1.00 . A A . 2 ASP H 1 1 19 17709 1 1 2 ASP HA H -2.815 -1.885 15.257 1.00 . A A . 2 ASP HA 1 1 19 17710 1 1 2 ASP HB2 H -0.513 0.020 14.383 1.00 . A A . 2 ASP HB2 1 1 19 17711 1 1 2 ASP HB3 H -1.567 -0.955 13.301 1.00 . A A . 2 ASP HB3 1 1 19 17712 1 1 2 ASP HD2 H -4.212 1.344 13.653 1.00 . A A . 2 ASP HD2 1 1 19 17713 1 1 2 ASP N N -1.971 -0.669 16.722 1.00 . A A . 2 ASP N 1 1 19 17714 1 1 2 ASP O O 0.394 -1.928 15.778 1.00 . A A . 2 ASP O 1 1 19 17715 1 1 2 ASP OD1 O -2.159 1.919 14.576 1.00 . A A . 2 ASP OD1 1 1 19 17716 1 1 2 ASP OD2 O -3.663 0.554 13.596 1.00 . A A . 2 ASP OD2 1 1 19 17717 1 1 3 ASP C C -0.426 -5.910 14.925 1.00 . A A . 3 ASP C 1 1 19 17718 1 1 3 ASP CA C -0.047 -4.656 15.692 1.00 . A A . 3 ASP CA 1 1 19 17719 1 1 3 ASP CB C 0.157 -4.935 17.197 1.00 . A A . 3 ASP CB 1 1 19 17720 1 1 3 ASP CG C -1.151 -4.988 17.974 1.00 . A A . 3 ASP CG 1 1 19 17721 1 1 3 ASP H H -1.969 -3.945 15.318 1.00 . A A . 3 ASP H 1 1 19 17722 1 1 3 ASP HA H 0.894 -4.348 15.265 1.00 . A A . 3 ASP HA 1 1 19 17723 1 1 3 ASP HB2 H 0.701 -5.885 17.344 1.00 . A A . 3 ASP HB2 1 1 19 17724 1 1 3 ASP HB3 H 0.780 -4.122 17.602 1.00 . A A . 3 ASP HB3 1 1 19 17725 1 1 3 ASP HD2 H -2.280 -3.841 19.071 1.00 . A A . 3 ASP HD2 1 1 19 17726 1 1 3 ASP N N -1.035 -3.630 15.460 1.00 . A A . 3 ASP N 1 1 19 17727 1 1 3 ASP O O -0.635 -6.993 15.473 1.00 . A A . 3 ASP O 1 1 19 17728 1 1 3 ASP OD1 O -1.919 -5.926 18.039 1.00 . A A . 3 ASP OD1 1 1 19 17729 1 1 3 ASP OD2 O -1.417 -3.802 18.624 1.00 . A A . 3 ASP OD2 1 1 19 17730 1 1 4 VAL C C 0.010 -6.645 11.426 1.00 . A A . 4 VAL C 1 1 19 17731 1 1 4 VAL CA C -0.821 -6.847 12.676 1.00 . A A . 4 VAL CA 1 1 19 17732 1 1 4 VAL CB C -2.312 -6.970 12.410 1.00 . A A . 4 VAL CB 1 1 19 17733 1 1 4 VAL CG1 C -2.893 -5.759 11.656 1.00 . A A . 4 VAL CG1 1 1 19 17734 1 1 4 VAL CG2 C -2.643 -8.286 11.688 1.00 . A A . 4 VAL CG2 1 1 19 17735 1 1 4 VAL H H -0.347 -4.897 13.174 1.00 . A A . 4 VAL H 1 1 19 17736 1 1 4 VAL HA H -0.485 -7.770 13.111 1.00 . A A . 4 VAL HA 1 1 19 17737 1 1 4 VAL HB H -2.777 -7.004 13.417 1.00 . A A . 4 VAL HB 1 1 19 17738 1 1 4 VAL HG11 H -3.996 -5.877 11.553 1.00 . A A . 4 VAL HG11 1 1 19 17739 1 1 4 VAL HG12 H -2.462 -5.681 10.633 1.00 . A A . 4 VAL HG12 1 1 19 17740 1 1 4 VAL HG13 H -2.701 -4.814 12.204 1.00 . A A . 4 VAL HG13 1 1 19 17741 1 1 4 VAL HG21 H -3.748 -8.418 11.618 1.00 . A A . 4 VAL HG21 1 1 19 17742 1 1 4 VAL HG22 H -2.230 -9.159 12.240 1.00 . A A . 4 VAL HG22 1 1 19 17743 1 1 4 VAL HG23 H -2.237 -8.289 10.654 1.00 . A A . 4 VAL HG23 1 1 19 17744 1 1 4 VAL N N -0.526 -5.775 13.598 1.00 . A A . 4 VAL N 1 1 19 17745 1 1 4 VAL O O 0.150 -5.534 10.916 1.00 . A A . 4 VAL O 1 1 19 17746 1 1 5 LYS C C 0.745 -7.856 8.484 1.00 . A A . 5 LYS C 1 1 19 17747 1 1 5 LYS CA C 1.510 -7.708 9.774 1.00 . A A . 5 LYS CA 1 1 19 17748 1 1 5 LYS CB C 2.554 -8.850 9.852 1.00 . A A . 5 LYS CB 1 1 19 17749 1 1 5 LYS CD C 4.766 -7.615 10.207 1.00 . A A . 5 LYS CD 1 1 19 17750 1 1 5 LYS CE C 5.795 -7.094 11.217 1.00 . A A . 5 LYS CE 1 1 19 17751 1 1 5 LYS CG C 3.696 -8.537 10.822 1.00 . A A . 5 LYS CG 1 1 19 17752 1 1 5 LYS H H 0.581 -8.590 11.445 1.00 . A A . 5 LYS H 1 1 19 17753 1 1 5 LYS HA H 2.004 -6.749 9.729 1.00 . A A . 5 LYS HA 1 1 19 17754 1 1 5 LYS HB2 H 2.039 -9.775 10.176 1.00 . A A . 5 LYS HB2 1 1 19 17755 1 1 5 LYS HB3 H 2.994 -9.064 8.861 1.00 . A A . 5 LYS HB3 1 1 19 17756 1 1 5 LYS HD2 H 5.309 -8.196 9.424 1.00 . A A . 5 LYS HD2 1 1 19 17757 1 1 5 LYS HD3 H 4.288 -6.747 9.701 1.00 . A A . 5 LYS HD3 1 1 19 17758 1 1 5 LYS HE2 H 6.211 -7.928 11.816 1.00 . A A . 5 LYS HE2 1 1 19 17759 1 1 5 LYS HE3 H 6.620 -6.574 10.689 1.00 . A A . 5 LYS HE3 1 1 19 17760 1 1 5 LYS HG2 H 3.269 -8.079 11.739 1.00 . A A . 5 LYS HG2 1 1 19 17761 1 1 5 LYS HG3 H 4.193 -9.491 11.118 1.00 . A A . 5 LYS HG3 1 1 19 17762 1 1 5 LYS HZ1 H 4.803 -5.322 11.604 1.00 . A A . 5 LYS HZ1 1 1 19 17763 1 1 5 LYS HZ2 H 5.895 -5.787 12.817 1.00 . A A . 5 LYS HZ2 1 1 19 17764 1 1 5 LYS HZ3 H 4.402 -6.580 12.666 1.00 . A A . 5 LYS HZ3 1 1 19 17765 1 1 5 LYS N N 0.655 -7.723 10.945 1.00 . A A . 5 LYS N 1 1 19 17766 1 1 5 LYS NZ N 5.178 -6.126 12.145 1.00 . A A . 5 LYS NZ 1 1 19 17767 1 1 5 LYS O O 1.184 -7.384 7.443 1.00 . A A . 5 LYS O 1 1 19 17768 1 1 6 SER C C -1.803 -7.603 6.690 1.00 . A A . 6 SER C 1 1 19 17769 1 1 6 SER CA C -1.268 -8.830 7.405 1.00 . A A . 6 SER CA 1 1 19 17770 1 1 6 SER CB C -2.481 -9.696 7.790 1.00 . A A . 6 SER CB 1 1 19 17771 1 1 6 SER H H -0.672 -8.976 9.383 1.00 . A A . 6 SER H 1 1 19 17772 1 1 6 SER HA H -0.692 -9.393 6.685 1.00 . A A . 6 SER HA 1 1 19 17773 1 1 6 SER HB2 H -3.170 -9.127 8.453 1.00 . A A . 6 SER HB2 1 1 19 17774 1 1 6 SER HB3 H -3.035 -9.984 6.865 1.00 . A A . 6 SER HB3 1 1 19 17775 1 1 6 SER HG H -2.839 -11.413 8.613 1.00 . A A . 6 SER HG 1 1 19 17776 1 1 6 SER N N -0.393 -8.561 8.530 1.00 . A A . 6 SER N 1 1 19 17777 1 1 6 SER O O -2.734 -6.931 7.135 1.00 . A A . 6 SER O 1 1 19 17778 1 1 6 SER OG O -2.044 -10.869 8.469 1.00 . A A . 6 SER OG 1 1 19 17779 1 1 7 ALA C C -1.578 -6.652 3.272 1.00 . A A . 7 ALA C 1 1 19 17780 1 1 7 ALA CA C -1.529 -6.172 4.701 1.00 . A A . 7 ALA CA 1 1 19 17781 1 1 7 ALA CB C -0.405 -5.125 4.866 1.00 . A A . 7 ALA CB 1 1 19 17782 1 1 7 ALA H H -0.411 -7.814 5.240 1.00 . A A . 7 ALA H 1 1 19 17783 1 1 7 ALA HA H -2.503 -5.773 4.947 1.00 . A A . 7 ALA HA 1 1 19 17784 1 1 7 ALA HB1 H 0.583 -5.590 4.632 1.00 . A A . 7 ALA HB1 1 1 19 17785 1 1 7 ALA HB2 H -0.363 -4.795 5.931 1.00 . A A . 7 ALA HB2 1 1 19 17786 1 1 7 ALA HB3 H -0.557 -4.232 4.224 1.00 . A A . 7 ALA HB3 1 1 19 17787 1 1 7 ALA N N -1.197 -7.285 5.540 1.00 . A A . 7 ALA N 1 1 19 17788 1 1 7 ALA O O -1.073 -7.725 2.935 1.00 . A A . 7 ALA O 1 1 19 17789 1 1 8 CYS C C -1.503 -4.725 0.359 1.00 . A A . 8 CYS C 1 1 19 17790 1 1 8 CYS CA C -2.027 -6.012 0.955 1.00 . A A . 8 CYS CA 1 1 19 17791 1 1 8 CYS CB C -3.339 -6.426 0.236 1.00 . A A . 8 CYS CB 1 1 19 17792 1 1 8 CYS H H -2.654 -5.037 2.708 1.00 . A A . 8 CYS H 1 1 19 17793 1 1 8 CYS HA H -1.289 -6.773 0.752 1.00 . A A . 8 CYS HA 1 1 19 17794 1 1 8 CYS HB2 H -4.095 -5.624 0.350 1.00 . A A . 8 CYS HB2 1 1 19 17795 1 1 8 CYS HB3 H -3.135 -6.557 -0.845 1.00 . A A . 8 CYS HB3 1 1 19 17796 1 1 8 CYS N N -2.173 -5.853 2.384 1.00 . A A . 8 CYS N 1 1 19 17797 1 1 8 CYS O O -1.706 -3.629 0.874 1.00 . A A . 8 CYS O 1 1 19 17798 1 1 8 CYS SG S -3.997 -7.982 0.897 1.00 . A A . 8 CYS SG 1 1 19 17799 1 1 9 CYS C C -0.094 -3.988 -2.881 1.00 . A A . 9 CYS C 1 1 19 17800 1 1 9 CYS CA C -0.190 -3.694 -1.406 1.00 . A A . 9 CYS CA 1 1 19 17801 1 1 9 CYS CB C 1.219 -3.467 -0.802 1.00 . A A . 9 CYS CB 1 1 19 17802 1 1 9 CYS H H -0.563 -5.742 -1.145 1.00 . A A . 9 CYS H 1 1 19 17803 1 1 9 CYS HA H -0.809 -2.817 -1.277 1.00 . A A . 9 CYS HA 1 1 19 17804 1 1 9 CYS HB2 H 1.085 -3.352 0.289 1.00 . A A . 9 CYS HB2 1 1 19 17805 1 1 9 CYS HB3 H 1.795 -4.403 -0.959 1.00 . A A . 9 CYS HB3 1 1 19 17806 1 1 9 CYS N N -0.792 -4.838 -0.766 1.00 . A A . 9 CYS N 1 1 19 17807 1 1 9 CYS O O 0.947 -4.331 -3.420 1.00 . A A . 9 CYS O 1 1 19 17808 1 1 9 CYS SG S 2.179 -2.062 -1.446 1.00 . A A . 9 CYS SG 1 1 19 17809 1 1 10 ASP C C -0.817 -3.421 -6.032 1.00 . A A . 10 ASP C 1 1 19 17810 1 1 10 ASP CA C -1.369 -4.354 -4.971 1.00 . A A . 10 ASP CA 1 1 19 17811 1 1 10 ASP CB C -2.839 -4.733 -5.240 1.00 . A A . 10 ASP CB 1 1 19 17812 1 1 10 ASP CG C -3.784 -3.554 -5.142 1.00 . A A . 10 ASP CG 1 1 19 17813 1 1 10 ASP H H -2.087 -3.601 -3.175 1.00 . A A . 10 ASP H 1 1 19 17814 1 1 10 ASP HA H -0.804 -5.262 -5.052 1.00 . A A . 10 ASP HA 1 1 19 17815 1 1 10 ASP HB2 H -2.940 -5.165 -6.243 1.00 . A A . 10 ASP HB2 1 1 19 17816 1 1 10 ASP HB3 H -3.135 -5.509 -4.526 1.00 . A A . 10 ASP HB3 1 1 19 17817 1 1 10 ASP HD2 H -4.672 -2.441 -3.832 1.00 . A A . 10 ASP HD2 1 1 19 17818 1 1 10 ASP N N -1.232 -3.896 -3.601 1.00 . A A . 10 ASP N 1 1 19 17819 1 1 10 ASP O O -1.053 -3.599 -7.217 1.00 . A A . 10 ASP O 1 1 19 17820 1 1 10 ASP OD1 O -4.183 -2.888 -6.072 1.00 . A A . 10 ASP OD1 1 1 19 17821 1 1 10 ASP OD2 O -4.100 -3.232 -3.838 1.00 . A A . 10 ASP OD2 1 1 19 17822 1 1 11 THR C C 1.848 -0.942 -5.614 1.00 . A A . 11 THR C 1 1 19 17823 1 1 11 THR CA C 0.731 -1.529 -6.441 1.00 . A A . 11 THR CA 1 1 19 17824 1 1 11 THR CB C -0.021 -0.379 -7.090 1.00 . A A . 11 THR CB 1 1 19 17825 1 1 11 THR CG2 C 0.864 0.225 -8.184 1.00 . A A . 11 THR CG2 1 1 19 17826 1 1 11 THR H H 0.129 -2.431 -4.619 1.00 . A A . 11 THR H 1 1 19 17827 1 1 11 THR HA H 1.203 -2.111 -7.220 1.00 . A A . 11 THR HA 1 1 19 17828 1 1 11 THR HB H -0.302 0.391 -6.340 1.00 . A A . 11 THR HB 1 1 19 17829 1 1 11 THR HG1 H -1.746 -1.270 -7.115 1.00 . A A . 11 THR HG1 1 1 19 17830 1 1 11 THR HG21 H 1.825 0.608 -7.783 1.00 . A A . 11 THR HG21 1 1 19 17831 1 1 11 THR HG22 H 0.334 1.061 -8.687 1.00 . A A . 11 THR HG22 1 1 19 17832 1 1 11 THR HG23 H 1.098 -0.554 -8.939 1.00 . A A . 11 THR HG23 1 1 19 17833 1 1 11 THR N N -0.026 -2.442 -5.595 1.00 . A A . 11 THR N 1 1 19 17834 1 1 11 THR O O 1.764 0.120 -4.983 1.00 . A A . 11 THR O 1 1 19 17835 1 1 11 THR OG1 O -1.190 -0.819 -7.765 1.00 . A A . 11 THR OG1 1 1 19 17836 1 1 12 CYS C C 4.994 -0.495 -6.064 1.00 . A A . 12 CYS C 1 1 19 17837 1 1 12 CYS CA C 4.237 -1.335 -5.061 1.00 . A A . 12 CYS CA 1 1 19 17838 1 1 12 CYS CB C 5.096 -2.590 -4.747 1.00 . A A . 12 CYS CB 1 1 19 17839 1 1 12 CYS H H 2.933 -2.572 -6.121 1.00 . A A . 12 CYS H 1 1 19 17840 1 1 12 CYS HA H 4.083 -0.737 -4.171 1.00 . A A . 12 CYS HA 1 1 19 17841 1 1 12 CYS HB2 H 5.149 -3.213 -5.674 1.00 . A A . 12 CYS HB2 1 1 19 17842 1 1 12 CYS HB3 H 6.121 -2.276 -4.443 1.00 . A A . 12 CYS HB3 1 1 19 17843 1 1 12 CYS N N 2.952 -1.702 -5.610 1.00 . A A . 12 CYS N 1 1 19 17844 1 1 12 CYS O O 5.587 -1.010 -7.010 1.00 . A A . 12 CYS O 1 1 19 17845 1 1 12 CYS SG S 4.377 -3.605 -3.423 1.00 . A A . 12 CYS SG 1 1 19 17846 1 1 13 LEU C C 7.213 1.691 -5.989 1.00 . A A . 13 LEU C 1 1 19 17847 1 1 13 LEU CA C 5.878 1.684 -6.673 1.00 . A A . 13 LEU CA 1 1 19 17848 1 1 13 LEU CB C 5.301 3.109 -6.809 1.00 . A A . 13 LEU CB 1 1 19 17849 1 1 13 LEU CD1 C 5.051 5.084 -8.346 1.00 . A A . 13 LEU CD1 1 1 19 17850 1 1 13 LEU CD2 C 7.159 4.881 -7.038 1.00 . A A . 13 LEU CD2 1 1 19 17851 1 1 13 LEU CG C 6.048 4.088 -7.742 1.00 . A A . 13 LEU CG 1 1 19 17852 1 1 13 LEU H H 4.601 1.247 -5.072 1.00 . A A . 13 LEU H 1 1 19 17853 1 1 13 LEU HA H 6.019 1.276 -7.668 1.00 . A A . 13 LEU HA 1 1 19 17854 1 1 13 LEU HB2 H 4.292 2.960 -7.241 1.00 . A A . 13 LEU HB2 1 1 19 17855 1 1 13 LEU HB3 H 5.182 3.562 -5.806 1.00 . A A . 13 LEU HB3 1 1 19 17856 1 1 13 LEU HD11 H 4.184 4.553 -8.791 1.00 . A A . 13 LEU HD11 1 1 19 17857 1 1 13 LEU HD12 H 5.538 5.704 -9.128 1.00 . A A . 13 LEU HD12 1 1 19 17858 1 1 13 LEU HD13 H 4.666 5.765 -7.557 1.00 . A A . 13 LEU HD13 1 1 19 17859 1 1 13 LEU HD21 H 7.943 4.222 -6.620 1.00 . A A . 13 LEU HD21 1 1 19 17860 1 1 13 LEU HD22 H 6.725 5.474 -6.205 1.00 . A A . 13 LEU HD22 1 1 19 17861 1 1 13 LEU HD23 H 7.637 5.581 -7.755 1.00 . A A . 13 LEU HD23 1 1 19 17862 1 1 13 LEU HG H 6.493 3.505 -8.586 1.00 . A A . 13 LEU HG 1 1 19 17863 1 1 13 LEU N N 5.005 0.832 -5.893 1.00 . A A . 13 LEU N 1 1 19 17864 1 1 13 LEU O O 7.284 1.782 -4.768 1.00 . A A . 13 LEU O 1 1 19 17865 1 1 14 CYS C C 10.570 2.174 -7.147 1.00 . A A . 14 CYS C 1 1 19 17866 1 1 14 CYS CA C 9.625 1.484 -6.218 1.00 . A A . 14 CYS CA 1 1 19 17867 1 1 14 CYS CB C 10.093 0.019 -6.068 1.00 . A A . 14 CYS CB 1 1 19 17868 1 1 14 CYS H H 8.230 1.470 -7.743 1.00 . A A . 14 CYS H 1 1 19 17869 1 1 14 CYS HA H 9.682 2.021 -5.298 1.00 . A A . 14 CYS HA 1 1 19 17870 1 1 14 CYS HB2 H 10.021 -0.455 -7.067 1.00 . A A . 14 CYS HB2 1 1 19 17871 1 1 14 CYS HB3 H 11.159 0.003 -5.790 1.00 . A A . 14 CYS HB3 1 1 19 17872 1 1 14 CYS N N 8.301 1.585 -6.760 1.00 . A A . 14 CYS N 1 1 19 17873 1 1 14 CYS O O 10.552 1.966 -8.359 1.00 . A A . 14 CYS O 1 1 19 17874 1 1 14 CYS SG S 9.138 -0.989 -4.888 1.00 . A A . 14 CYS SG 1 1 19 17875 1 1 15 THR C C 13.569 3.117 -7.766 1.00 . A A . 15 THR C 1 1 19 17876 1 1 15 THR CA C 12.323 3.864 -7.366 1.00 . A A . 15 THR CA 1 1 19 17877 1 1 15 THR CB C 12.753 5.132 -6.656 1.00 . A A . 15 THR CB 1 1 19 17878 1 1 15 THR CG2 C 11.510 6.004 -6.398 1.00 . A A . 15 THR CG2 1 1 19 17879 1 1 15 THR H H 11.397 3.204 -5.588 1.00 . A A . 15 THR H 1 1 19 17880 1 1 15 THR HA H 11.836 4.169 -8.279 1.00 . A A . 15 THR HA 1 1 19 17881 1 1 15 THR HB H 13.457 5.702 -7.302 1.00 . A A . 15 THR HB 1 1 19 17882 1 1 15 THR HG1 H 13.641 5.778 -5.074 1.00 . A A . 15 THR HG1 1 1 19 17883 1 1 15 THR HG21 H 10.964 6.181 -7.350 1.00 . A A . 15 THR HG21 1 1 19 17884 1 1 15 THR HG22 H 11.810 6.993 -5.984 1.00 . A A . 15 THR HG22 1 1 19 17885 1 1 15 THR HG23 H 10.815 5.518 -5.678 1.00 . A A . 15 THR HG23 1 1 19 17886 1 1 15 THR N N 11.404 3.057 -6.582 1.00 . A A . 15 THR N 1 1 19 17887 1 1 15 THR O O 13.882 2.038 -7.272 1.00 . A A . 15 THR O 1 1 19 17888 1 1 15 THR OG1 O 13.380 4.885 -5.403 1.00 . A A . 15 THR OG1 1 1 19 17889 1 1 16 ARG C C 16.791 3.581 -8.108 1.00 . A A . 16 ARG C 1 1 19 17890 1 1 16 ARG CA C 15.661 3.160 -9.048 1.00 . A A . 16 ARG CA 1 1 19 17891 1 1 16 ARG CB C 16.017 3.407 -10.528 1.00 . A A . 16 ARG CB 1 1 19 17892 1 1 16 ARG CD C 17.452 4.941 -11.916 1.00 . A A . 16 ARG CD 1 1 19 17893 1 1 16 ARG CG C 16.267 4.860 -10.946 1.00 . A A . 16 ARG CG 1 1 19 17894 1 1 16 ARG CZ C 18.433 7.210 -11.375 1.00 . A A . 16 ARG CZ 1 1 19 17895 1 1 16 ARG H H 14.063 4.539 -9.117 1.00 . A A . 16 ARG H 1 1 19 17896 1 1 16 ARG HA H 15.615 2.086 -8.946 1.00 . A A . 16 ARG HA 1 1 19 17897 1 1 16 ARG HB2 H 16.936 2.818 -10.754 1.00 . A A . 16 ARG HB2 1 1 19 17898 1 1 16 ARG HB3 H 15.204 3.002 -11.169 1.00 . A A . 16 ARG HB3 1 1 19 17899 1 1 16 ARG HD2 H 18.344 4.452 -11.484 1.00 . A A . 16 ARG HD2 1 1 19 17900 1 1 16 ARG HD3 H 17.206 4.428 -12.868 1.00 . A A . 16 ARG HD3 1 1 19 17901 1 1 16 ARG HE H 17.564 6.694 -13.142 1.00 . A A . 16 ARG HE 1 1 19 17902 1 1 16 ARG HG2 H 15.360 5.269 -11.442 1.00 . A A . 16 ARG HG2 1 1 19 17903 1 1 16 ARG HG3 H 16.478 5.481 -10.049 1.00 . A A . 16 ARG HG3 1 1 19 17904 1 1 16 ARG HH11 H 18.576 5.931 -9.756 1.00 . A A . 16 ARG HH11 1 1 19 17905 1 1 16 ARG HH12 H 19.243 7.505 -9.507 1.00 . A A . 16 ARG HH12 1 1 19 17906 1 1 16 ARG HH21 H 18.436 8.765 -12.710 1.00 . A A . 16 ARG HH21 1 1 19 17907 1 1 16 ARG HH22 H 19.148 9.124 -11.178 1.00 . A A . 16 ARG HH22 1 1 19 17908 1 1 16 ARG N N 14.351 3.680 -8.696 1.00 . A A . 16 ARG N 1 1 19 17909 1 1 16 ARG NE N 17.789 6.361 -12.231 1.00 . A A . 16 ARG NE 1 1 19 17910 1 1 16 ARG NH1 N 18.797 6.841 -10.111 1.00 . A A . 16 ARG NH1 1 1 19 17911 1 1 16 ARG NH2 N 18.700 8.479 -11.792 1.00 . A A . 16 ARG NH2 1 1 19 17912 1 1 16 ARG O O 17.965 3.589 -8.469 1.00 . A A . 16 ARG O 1 1 19 17913 1 1 17 SER C C 18.239 3.008 -5.356 1.00 . A A . 17 SER C 1 1 19 17914 1 1 17 SER CA C 17.389 4.208 -5.769 1.00 . A A . 17 SER CA 1 1 19 17915 1 1 17 SER CB C 16.750 4.902 -4.524 1.00 . A A . 17 SER CB 1 1 19 17916 1 1 17 SER H H 15.470 3.947 -6.650 1.00 . A A . 17 SER H 1 1 19 17917 1 1 17 SER HA H 18.090 4.922 -6.181 1.00 . A A . 17 SER HA 1 1 19 17918 1 1 17 SER HB2 H 15.940 5.584 -4.856 1.00 . A A . 17 SER HB2 1 1 19 17919 1 1 17 SER HB3 H 16.298 4.162 -3.831 1.00 . A A . 17 SER HB3 1 1 19 17920 1 1 17 SER HG H 17.237 6.142 -3.087 1.00 . A A . 17 SER HG 1 1 19 17921 1 1 17 SER N N 16.443 3.942 -6.855 1.00 . A A . 17 SER N 1 1 19 17922 1 1 17 SER O O 18.338 1.995 -6.048 1.00 . A A . 17 SER O 1 1 19 17923 1 1 17 SER OG O 17.707 5.713 -3.841 1.00 . A A . 17 SER OG 1 1 19 17924 1 1 18 GLN C C 19.790 2.149 -2.162 1.00 . A A . 18 GLN C 1 1 19 17925 1 1 18 GLN CA C 19.800 2.091 -3.694 1.00 . A A . 18 GLN CA 1 1 19 17926 1 1 18 GLN CB C 21.263 2.437 -4.101 1.00 . A A . 18 GLN CB 1 1 19 17927 1 1 18 GLN CD C 21.301 3.439 -6.541 1.00 . A A . 18 GLN CD 1 1 19 17928 1 1 18 GLN CG C 21.656 2.284 -5.593 1.00 . A A . 18 GLN CG 1 1 19 17929 1 1 18 GLN H H 18.765 3.904 -3.636 1.00 . A A . 18 GLN H 1 1 19 17930 1 1 18 GLN HA H 19.523 1.104 -4.025 1.00 . A A . 18 GLN HA 1 1 19 17931 1 1 18 GLN HB2 H 21.503 3.458 -3.749 1.00 . A A . 18 GLN HB2 1 1 19 17932 1 1 18 GLN HB3 H 21.931 1.741 -3.547 1.00 . A A . 18 GLN HB3 1 1 19 17933 1 1 18 GLN HE21 H 21.333 4.851 -5.052 1.00 . A A . 18 GLN HE21 1 1 19 17934 1 1 18 GLN HE22 H 20.987 5.448 -6.654 1.00 . A A . 18 GLN HE22 1 1 19 17935 1 1 18 GLN HG2 H 22.759 2.174 -5.668 1.00 . A A . 18 GLN HG2 1 1 19 17936 1 1 18 GLN HG3 H 21.206 1.358 -6.008 1.00 . A A . 18 GLN HG3 1 1 19 17937 1 1 18 GLN N N 18.851 3.063 -4.170 1.00 . A A . 18 GLN N 1 1 19 17938 1 1 18 GLN NE2 N 21.187 4.683 -6.031 1.00 . A A . 18 GLN NE2 1 1 19 17939 1 1 18 GLN O O 20.420 3.035 -1.580 1.00 . A A . 18 GLN O 1 1 19 17940 1 1 18 GLN OE1 O 21.148 3.224 -7.746 1.00 . A A . 18 GLN OE1 1 1 19 17941 1 1 19 PRO C C 16.860 1.040 -2.443 1.00 . A A . 19 PRO C 1 1 19 17942 1 1 19 PRO CA C 18.102 0.315 -1.924 1.00 . A A . 19 PRO CA 1 1 19 17943 1 1 19 PRO CB C 17.791 -0.508 -0.657 1.00 . A A . 19 PRO CB 1 1 19 17944 1 1 19 PRO CD C 19.116 1.349 0.017 1.00 . A A . 19 PRO CD 1 1 19 17945 1 1 19 PRO CG C 17.935 0.496 0.480 1.00 . A A . 19 PRO CG 1 1 19 17946 1 1 19 PRO HA H 18.502 -0.284 -2.732 1.00 . A A . 19 PRO HA 1 1 19 17947 1 1 19 PRO HB2 H 16.781 -0.974 -0.677 1.00 . A A . 19 PRO HB2 1 1 19 17948 1 1 19 PRO HB3 H 18.573 -1.294 -0.545 1.00 . A A . 19 PRO HB3 1 1 19 17949 1 1 19 PRO HD2 H 18.999 2.407 0.355 1.00 . A A . 19 PRO HD2 1 1 19 17950 1 1 19 PRO HD3 H 20.079 0.938 0.397 1.00 . A A . 19 PRO HD3 1 1 19 17951 1 1 19 PRO HG2 H 17.027 1.136 0.543 1.00 . A A . 19 PRO HG2 1 1 19 17952 1 1 19 PRO HG3 H 18.115 0.013 1.459 1.00 . A A . 19 PRO HG3 1 1 19 17953 1 1 19 PRO N N 19.110 1.257 -1.441 1.00 . A A . 19 PRO N 1 1 19 17954 1 1 19 PRO O O 16.722 2.232 -2.160 1.00 . A A . 19 PRO O 1 1 19 17955 1 1 20 PRO C C 13.836 1.636 -2.892 1.00 . A A . 20 PRO C 1 1 19 17956 1 1 20 PRO CA C 14.883 1.141 -3.858 1.00 . A A . 20 PRO CA 1 1 19 17957 1 1 20 PRO CB C 14.308 0.099 -4.820 1.00 . A A . 20 PRO CB 1 1 19 17958 1 1 20 PRO CD C 15.983 -0.996 -3.556 1.00 . A A . 20 PRO CD 1 1 19 17959 1 1 20 PRO CG C 14.597 -1.235 -4.146 1.00 . A A . 20 PRO CG 1 1 19 17960 1 1 20 PRO HA H 15.264 1.998 -4.388 1.00 . A A . 20 PRO HA 1 1 19 17961 1 1 20 PRO HB2 H 13.236 0.252 -5.049 1.00 . A A . 20 PRO HB2 1 1 19 17962 1 1 20 PRO HB3 H 14.886 0.149 -5.767 1.00 . A A . 20 PRO HB3 1 1 19 17963 1 1 20 PRO HD2 H 16.152 -1.640 -2.662 1.00 . A A . 20 PRO HD2 1 1 19 17964 1 1 20 PRO HD3 H 16.767 -1.180 -4.326 1.00 . A A . 20 PRO HD3 1 1 19 17965 1 1 20 PRO HG2 H 13.863 -1.401 -3.326 1.00 . A A . 20 PRO HG2 1 1 19 17966 1 1 20 PRO HG3 H 14.572 -2.082 -4.856 1.00 . A A . 20 PRO HG3 1 1 19 17967 1 1 20 PRO N N 15.971 0.427 -3.210 1.00 . A A . 20 PRO N 1 1 19 17968 1 1 20 PRO O O 13.375 0.905 -2.015 1.00 . A A . 20 PRO O 1 1 19 17969 1 1 21 THR C C 11.070 3.085 -2.638 1.00 . A A . 21 THR C 1 1 19 17970 1 1 21 THR CA C 12.432 3.516 -2.190 1.00 . A A . 21 THR CA 1 1 19 17971 1 1 21 THR CB C 12.495 5.023 -2.173 1.00 . A A . 21 THR CB 1 1 19 17972 1 1 21 THR CG2 C 11.473 5.590 -1.188 1.00 . A A . 21 THR CG2 1 1 19 17973 1 1 21 THR H H 13.781 3.468 -3.788 1.00 . A A . 21 THR H 1 1 19 17974 1 1 21 THR HA H 12.578 3.167 -1.178 1.00 . A A . 21 THR HA 1 1 19 17975 1 1 21 THR HB H 12.315 5.431 -3.196 1.00 . A A . 21 THR HB 1 1 19 17976 1 1 21 THR HG1 H 13.738 6.404 -1.637 1.00 . A A . 21 THR HG1 1 1 19 17977 1 1 21 THR HG21 H 10.431 5.343 -1.480 1.00 . A A . 21 THR HG21 1 1 19 17978 1 1 21 THR HG22 H 11.562 6.695 -1.139 1.00 . A A . 21 THR HG22 1 1 19 17979 1 1 21 THR HG23 H 11.659 5.176 -0.174 1.00 . A A . 21 THR HG23 1 1 19 17980 1 1 21 THR N N 13.430 2.901 -3.048 1.00 . A A . 21 THR N 1 1 19 17981 1 1 21 THR O O 10.552 3.540 -3.656 1.00 . A A . 21 THR O 1 1 19 17982 1 1 21 THR OG1 O 13.767 5.427 -1.696 1.00 . A A . 21 THR OG1 1 1 19 17983 1 1 22 CYS C C 8.082 2.334 -1.433 1.00 . A A . 22 CYS C 1 1 19 17984 1 1 22 CYS CA C 9.162 1.618 -2.206 1.00 . A A . 22 CYS CA 1 1 19 17985 1 1 22 CYS CB C 9.033 0.080 -2.031 1.00 . A A . 22 CYS CB 1 1 19 17986 1 1 22 CYS H H 10.912 1.806 -1.062 1.00 . A A . 22 CYS H 1 1 19 17987 1 1 22 CYS HA H 8.940 1.844 -3.228 1.00 . A A . 22 CYS HA 1 1 19 17988 1 1 22 CYS HB2 H 9.228 -0.204 -0.982 1.00 . A A . 22 CYS HB2 1 1 19 17989 1 1 22 CYS HB3 H 7.996 -0.250 -2.232 1.00 . A A . 22 CYS HB3 1 1 19 17990 1 1 22 CYS N N 10.477 2.134 -1.902 1.00 . A A . 22 CYS N 1 1 19 17991 1 1 22 CYS O O 8.331 3.056 -0.468 1.00 . A A . 22 CYS O 1 1 19 17992 1 1 22 CYS SG S 10.150 -0.855 -3.119 1.00 . A A . 22 CYS SG 1 1 19 17993 1 1 23 ARG C C 4.476 2.020 -1.988 1.00 . A A . 23 ARG C 1 1 19 17994 1 1 23 ARG CA C 5.644 2.743 -1.368 1.00 . A A . 23 ARG CA 1 1 19 17995 1 1 23 ARG CB C 5.518 4.211 -1.867 1.00 . A A . 23 ARG CB 1 1 19 17996 1 1 23 ARG CD C 5.618 6.704 -1.228 1.00 . A A . 23 ARG CD 1 1 19 17997 1 1 23 ARG CG C 6.101 5.277 -0.917 1.00 . A A . 23 ARG CG 1 1 19 17998 1 1 23 ARG CZ C 3.178 7.150 -1.788 1.00 . A A . 23 ARG CZ 1 1 19 17999 1 1 23 ARG H H 6.697 1.550 -2.675 1.00 . A A . 23 ARG H 1 1 19 18000 1 1 23 ARG HA H 5.565 2.676 -0.298 1.00 . A A . 23 ARG HA 1 1 19 18001 1 1 23 ARG HB2 H 5.982 4.298 -2.874 1.00 . A A . 23 ARG HB2 1 1 19 18002 1 1 23 ARG HB3 H 4.440 4.474 -1.986 1.00 . A A . 23 ARG HB3 1 1 19 18003 1 1 23 ARG HD2 H 6.111 7.438 -0.561 1.00 . A A . 23 ARG HD2 1 1 19 18004 1 1 23 ARG HD3 H 5.819 6.939 -2.291 1.00 . A A . 23 ARG HD3 1 1 19 18005 1 1 23 ARG HE H 3.853 6.212 -0.135 1.00 . A A . 23 ARG HE 1 1 19 18006 1 1 23 ARG HG2 H 5.791 5.029 0.125 1.00 . A A . 23 ARG HG2 1 1 19 18007 1 1 23 ARG HG3 H 7.214 5.248 -0.963 1.00 . A A . 23 ARG HG3 1 1 19 18008 1 1 23 ARG HH11 H 4.339 8.271 -3.068 1.00 . A A . 23 ARG HH11 1 1 19 18009 1 1 23 ARG HH12 H 2.687 8.205 -3.484 1.00 . A A . 23 ARG HH12 1 1 19 18010 1 1 23 ARG HH21 H 1.792 6.177 -0.683 1.00 . A A . 23 ARG HH21 1 1 19 18011 1 1 23 ARG HH22 H 1.132 6.988 -2.075 1.00 . A A . 23 ARG HH22 1 1 19 18012 1 1 23 ARG N N 6.827 2.068 -1.827 1.00 . A A . 23 ARG N 1 1 19 18013 1 1 23 ARG NE N 4.156 6.739 -0.927 1.00 . A A . 23 ARG NE 1 1 19 18014 1 1 23 ARG NH1 N 3.432 7.903 -2.892 1.00 . A A . 23 ARG NH1 1 1 19 18015 1 1 23 ARG NH2 N 1.907 6.750 -1.493 1.00 . A A . 23 ARG NH2 1 1 19 18016 1 1 23 ARG O O 4.525 1.527 -3.112 1.00 . A A . 23 ARG O 1 1 19 18017 1 1 24 CYS C C 1.280 2.512 -2.239 1.00 . A A . 24 CYS C 1 1 19 18018 1 1 24 CYS CA C 2.126 1.377 -1.723 1.00 . A A . 24 CYS CA 1 1 19 18019 1 1 24 CYS CB C 1.323 0.643 -0.615 1.00 . A A . 24 CYS CB 1 1 19 18020 1 1 24 CYS H H 3.356 2.318 -0.317 1.00 . A A . 24 CYS H 1 1 19 18021 1 1 24 CYS HA H 2.322 0.701 -2.551 1.00 . A A . 24 CYS HA 1 1 19 18022 1 1 24 CYS HB2 H 1.088 1.353 0.196 1.00 . A A . 24 CYS HB2 1 1 19 18023 1 1 24 CYS HB3 H 0.359 0.285 -1.036 1.00 . A A . 24 CYS HB3 1 1 19 18024 1 1 24 CYS N N 3.370 1.928 -1.234 1.00 . A A . 24 CYS N 1 1 19 18025 1 1 24 CYS O O 0.570 3.165 -1.478 1.00 . A A . 24 CYS O 1 1 19 18026 1 1 24 CYS SG S 2.247 -0.749 0.074 1.00 . A A . 24 CYS SG 1 1 19 18027 1 1 25 VAL C C -0.909 3.589 -4.156 1.00 . A A . 25 VAL C 1 1 19 18028 1 1 25 VAL CA C 0.588 3.849 -4.184 1.00 . A A . 25 VAL CA 1 1 19 18029 1 1 25 VAL CB C 1.096 4.284 -5.542 1.00 . A A . 25 VAL CB 1 1 19 18030 1 1 25 VAL CG1 C 2.530 4.803 -5.339 1.00 . A A . 25 VAL CG1 1 1 19 18031 1 1 25 VAL CG2 C 1.053 3.153 -6.578 1.00 . A A . 25 VAL CG2 1 1 19 18032 1 1 25 VAL H H 1.922 2.225 -4.155 1.00 . A A . 25 VAL H 1 1 19 18033 1 1 25 VAL HA H 0.693 4.717 -3.554 1.00 . A A . 25 VAL HA 1 1 19 18034 1 1 25 VAL HB H 0.473 5.132 -5.918 1.00 . A A . 25 VAL HB 1 1 19 18035 1 1 25 VAL HG11 H 2.546 5.642 -4.611 1.00 . A A . 25 VAL HG11 1 1 19 18036 1 1 25 VAL HG12 H 2.930 5.176 -6.307 1.00 . A A . 25 VAL HG12 1 1 19 18037 1 1 25 VAL HG13 H 3.192 3.994 -4.963 1.00 . A A . 25 VAL HG13 1 1 19 18038 1 1 25 VAL HG21 H 1.697 2.308 -6.268 1.00 . A A . 25 VAL HG21 1 1 19 18039 1 1 25 VAL HG22 H 1.422 3.530 -7.558 1.00 . A A . 25 VAL HG22 1 1 19 18040 1 1 25 VAL HG23 H 0.016 2.791 -6.734 1.00 . A A . 25 VAL HG23 1 1 19 18041 1 1 25 VAL N N 1.392 2.820 -3.545 1.00 . A A . 25 VAL N 1 1 19 18042 1 1 25 VAL O O -1.733 4.503 -4.157 1.00 . A A . 25 VAL O 1 1 19 18043 1 1 26 ASP C C -3.172 2.011 -2.587 1.00 . A A . 26 ASP C 1 1 19 18044 1 1 26 ASP CA C -2.644 1.836 -3.999 1.00 . A A . 26 ASP CA 1 1 19 18045 1 1 26 ASP CB C -2.779 0.352 -4.455 1.00 . A A . 26 ASP CB 1 1 19 18046 1 1 26 ASP CG C -4.211 -0.024 -4.810 1.00 . A A . 26 ASP CG 1 1 19 18047 1 1 26 ASP H H -0.550 1.622 -4.059 1.00 . A A . 26 ASP H 1 1 19 18048 1 1 26 ASP HA H -3.235 2.470 -4.647 1.00 . A A . 26 ASP HA 1 1 19 18049 1 1 26 ASP HB2 H -2.161 0.226 -5.358 1.00 . A A . 26 ASP HB2 1 1 19 18050 1 1 26 ASP HB3 H -2.405 -0.333 -3.669 1.00 . A A . 26 ASP HB3 1 1 19 18051 1 1 26 ASP HD2 H -5.468 0.139 -6.249 1.00 . A A . 26 ASP HD2 1 1 19 18052 1 1 26 ASP N N -1.278 2.293 -4.099 1.00 . A A . 26 ASP N 1 1 19 18053 1 1 26 ASP O O -2.437 1.929 -1.610 1.00 . A A . 26 ASP O 1 1 19 18054 1 1 26 ASP OD1 O -4.922 -0.752 -4.150 1.00 . A A . 26 ASP OD1 1 1 19 18055 1 1 26 ASP OD2 O -4.614 0.492 -6.005 1.00 . A A . 26 ASP OD2 1 1 19 18056 1 1 27 VAL C C -5.896 1.167 -0.701 1.00 . A A . 27 VAL C 1 1 19 18057 1 1 27 VAL CA C -5.157 2.388 -1.193 1.00 . A A . 27 VAL CA 1 1 19 18058 1 1 27 VAL CB C -6.112 3.574 -1.212 1.00 . A A . 27 VAL CB 1 1 19 18059 1 1 27 VAL CG1 C -5.321 4.803 -1.676 1.00 . A A . 27 VAL CG1 1 1 19 18060 1 1 27 VAL CG2 C -7.351 3.329 -2.088 1.00 . A A . 27 VAL CG2 1 1 19 18061 1 1 27 VAL H H -5.044 2.346 -3.270 1.00 . A A . 27 VAL H 1 1 19 18062 1 1 27 VAL HA H -4.424 2.607 -0.428 1.00 . A A . 27 VAL HA 1 1 19 18063 1 1 27 VAL HB H -6.475 3.762 -0.177 1.00 . A A . 27 VAL HB 1 1 19 18064 1 1 27 VAL HG11 H -5.061 4.720 -2.753 1.00 . A A . 27 VAL HG11 1 1 19 18065 1 1 27 VAL HG12 H -4.382 4.888 -1.091 1.00 . A A . 27 VAL HG12 1 1 19 18066 1 1 27 VAL HG13 H -5.909 5.731 -1.523 1.00 . A A . 27 VAL HG13 1 1 19 18067 1 1 27 VAL HG21 H -7.975 2.509 -1.678 1.00 . A A . 27 VAL HG21 1 1 19 18068 1 1 27 VAL HG22 H -7.080 3.095 -3.135 1.00 . A A . 27 VAL HG22 1 1 19 18069 1 1 27 VAL HG23 H -7.973 4.244 -2.089 1.00 . A A . 27 VAL HG23 1 1 19 18070 1 1 27 VAL N N -4.485 2.214 -2.462 1.00 . A A . 27 VAL N 1 1 19 18071 1 1 27 VAL O O -6.237 0.246 -1.442 1.00 . A A . 27 VAL O 1 1 19 18072 1 1 28 ARG C C -8.285 1.041 1.688 1.00 . A A . 28 ARG C 1 1 19 18073 1 1 28 ARG CA C -7.098 0.230 1.212 1.00 . A A . 28 ARG CA 1 1 19 18074 1 1 28 ARG CB C -6.507 -0.497 2.443 1.00 . A A . 28 ARG CB 1 1 19 18075 1 1 28 ARG CD C -4.486 -1.619 1.272 1.00 . A A . 28 ARG CD 1 1 19 18076 1 1 28 ARG CG C -5.697 -1.779 2.178 1.00 . A A . 28 ARG CG 1 1 19 18077 1 1 28 ARG CZ C -2.662 0.061 1.259 1.00 . A A . 28 ARG CZ 1 1 19 18078 1 1 28 ARG H H -5.835 1.857 1.210 1.00 . A A . 28 ARG H 1 1 19 18079 1 1 28 ARG HA H -7.458 -0.488 0.493 1.00 . A A . 28 ARG HA 1 1 19 18080 1 1 28 ARG HB2 H -5.896 0.241 3.005 1.00 . A A . 28 ARG HB2 1 1 19 18081 1 1 28 ARG HB3 H -7.326 -0.841 3.111 1.00 . A A . 28 ARG HB3 1 1 19 18082 1 1 28 ARG HD2 H -3.934 -2.567 1.149 1.00 . A A . 28 ARG HD2 1 1 19 18083 1 1 28 ARG HD3 H -4.789 -1.205 0.287 1.00 . A A . 28 ARG HD3 1 1 19 18084 1 1 28 ARG HE H -3.904 -0.271 2.819 1.00 . A A . 28 ARG HE 1 1 19 18085 1 1 28 ARG HG2 H -5.326 -2.144 3.164 1.00 . A A . 28 ARG HG2 1 1 19 18086 1 1 28 ARG HG3 H -6.372 -2.551 1.752 1.00 . A A . 28 ARG HG3 1 1 19 18087 1 1 28 ARG HH11 H -2.470 -1.258 -0.291 1.00 . A A . 28 ARG HH11 1 1 19 18088 1 1 28 ARG HH12 H -1.586 0.225 -0.464 1.00 . A A . 28 ARG HH12 1 1 19 18089 1 1 28 ARG HH21 H -2.793 1.558 2.591 1.00 . A A . 28 ARG HH21 1 1 19 18090 1 1 28 ARG HH22 H -1.665 1.855 1.278 1.00 . A A . 28 ARG HH22 1 1 19 18091 1 1 28 ARG N N -6.171 1.139 0.608 1.00 . A A . 28 ARG N 1 1 19 18092 1 1 28 ARG NE N -3.592 -0.650 1.951 1.00 . A A . 28 ARG NE 1 1 19 18093 1 1 28 ARG NH1 N -2.154 -0.389 0.083 1.00 . A A . 28 ARG NH1 1 1 19 18094 1 1 28 ARG NH2 N -2.301 1.266 1.772 1.00 . A A . 28 ARG NH2 1 1 19 18095 1 1 28 ARG O O -8.235 2.262 1.812 1.00 . A A . 28 ARG O 1 1 19 18096 1 1 29 GLU C C -10.308 1.460 4.053 1.00 . A A . 29 GLU C 1 1 19 18097 1 1 29 GLU CA C -10.553 0.788 2.707 1.00 . A A . 29 GLU CA 1 1 19 18098 1 1 29 GLU CB C -11.511 -0.404 2.875 1.00 . A A . 29 GLU CB 1 1 19 18099 1 1 29 GLU CD C -13.282 -1.795 1.710 1.00 . A A . 29 GLU CD 1 1 19 18100 1 1 29 GLU CG C -12.142 -0.810 1.529 1.00 . A A . 29 GLU CG 1 1 19 18101 1 1 29 GLU H H -9.341 -0.657 1.861 1.00 . A A . 29 GLU H 1 1 19 18102 1 1 29 GLU HA H -11.017 1.549 2.091 1.00 . A A . 29 GLU HA 1 1 19 18103 1 1 29 GLU HB2 H -10.923 -1.237 3.312 1.00 . A A . 29 GLU HB2 1 1 19 18104 1 1 29 GLU HB3 H -12.309 -0.138 3.600 1.00 . A A . 29 GLU HB3 1 1 19 18105 1 1 29 GLU HE2 H -14.915 -2.340 0.791 1.00 . A A . 29 GLU HE2 1 1 19 18106 1 1 29 GLU HG2 H -12.541 0.100 1.029 1.00 . A A . 29 GLU HG2 1 1 19 18107 1 1 29 GLU HG3 H -11.389 -1.263 0.859 1.00 . A A . 29 GLU HG3 1 1 19 18108 1 1 29 GLU N N -9.380 0.332 1.989 1.00 . A A . 29 GLU N 1 1 19 18109 1 1 29 GLU O O -11.110 2.263 4.519 1.00 . A A . 29 GLU O 1 1 19 18110 1 1 29 GLU OE1 O -13.482 -2.499 2.681 1.00 . A A . 29 GLU OE1 1 1 19 18111 1 1 29 GLU OE2 O -14.121 -1.807 0.622 1.00 . A A . 29 GLU OE2 1 1 19 18112 1 1 30 SER C C -7.411 1.356 6.303 1.00 . A A . 30 SER C 1 1 19 18113 1 1 30 SER CA C -8.889 1.479 6.069 1.00 . A A . 30 SER CA 1 1 19 18114 1 1 30 SER CB C -9.571 0.510 7.100 1.00 . A A . 30 SER CB 1 1 19 18115 1 1 30 SER H H -8.583 0.509 4.227 1.00 . A A . 30 SER H 1 1 19 18116 1 1 30 SER HA H -9.169 2.504 6.240 1.00 . A A . 30 SER HA 1 1 19 18117 1 1 30 SER HB2 H -9.287 -0.547 6.873 1.00 . A A . 30 SER HB2 1 1 19 18118 1 1 30 SER HB3 H -9.248 0.733 8.144 1.00 . A A . 30 SER HB3 1 1 19 18119 1 1 30 SER HG H -11.340 -0.107 7.644 1.00 . A A . 30 SER HG 1 1 19 18120 1 1 30 SER N N -9.185 1.140 4.693 1.00 . A A . 30 SER N 1 1 19 18121 1 1 30 SER O O -6.662 0.867 5.450 1.00 . A A . 30 SER O 1 1 19 18122 1 1 30 SER OG O -10.992 0.615 7.061 1.00 . A A . 30 SER OG 1 1 19 18123 1 1 31 CYS C C -5.092 0.192 8.223 1.00 . A A . 31 CYS C 1 1 19 18124 1 1 31 CYS CA C -5.537 1.612 7.895 1.00 . A A . 31 CYS CA 1 1 19 18125 1 1 31 CYS CB C -5.223 2.553 9.089 1.00 . A A . 31 CYS CB 1 1 19 18126 1 1 31 CYS H H -7.517 2.186 8.178 1.00 . A A . 31 CYS H 1 1 19 18127 1 1 31 CYS HA H -4.932 1.919 7.054 1.00 . A A . 31 CYS HA 1 1 19 18128 1 1 31 CYS HB2 H -5.936 2.309 9.912 1.00 . A A . 31 CYS HB2 1 1 19 18129 1 1 31 CYS HB3 H -4.175 2.393 9.443 1.00 . A A . 31 CYS HB3 1 1 19 18130 1 1 31 CYS N N -6.929 1.718 7.502 1.00 . A A . 31 CYS N 1 1 19 18131 1 1 31 CYS O O -4.936 -0.233 9.365 1.00 . A A . 31 CYS O 1 1 19 18132 1 1 31 CYS SG S -5.451 4.305 8.644 1.00 . A A . 31 CYS SG 1 1 19 18133 1 1 32 HIS C C -3.037 -1.684 6.076 1.00 . A A . 32 HIS C 1 1 19 18134 1 1 32 HIS CA C -3.991 -1.762 7.227 1.00 . A A . 32 HIS CA 1 1 19 18135 1 1 32 HIS CB C -4.750 -3.083 7.196 1.00 . A A . 32 HIS CB 1 1 19 18136 1 1 32 HIS CD2 C -5.139 -3.111 9.754 1.00 . A A . 32 HIS CD2 1 1 19 18137 1 1 32 HIS CE1 C -7.218 -3.760 9.703 1.00 . A A . 32 HIS CE1 1 1 19 18138 1 1 32 HIS CG C -5.509 -3.268 8.464 1.00 . A A . 32 HIS CG 1 1 19 18139 1 1 32 HIS H H -5.144 -0.305 6.272 1.00 . A A . 32 HIS H 1 1 19 18140 1 1 32 HIS HA H -3.370 -1.736 8.110 1.00 . A A . 32 HIS HA 1 1 19 18141 1 1 32 HIS HB2 H -5.475 -3.083 6.354 1.00 . A A . 32 HIS HB2 1 1 19 18142 1 1 32 HIS HB3 H -4.041 -3.932 7.088 1.00 . A A . 32 HIS HB3 1 1 19 18143 1 1 32 HIS HD1 H -7.347 -3.864 7.641 1.00 . A A . 32 HIS HD1 1 1 19 18144 1 1 32 HIS HD2 H -4.194 -2.782 10.166 1.00 . A A . 32 HIS HD2 1 1 19 18145 1 1 32 HIS HE1 H -8.198 -4.061 9.976 1.00 . A A . 32 HIS HE1 1 1 19 18146 1 1 32 HIS HE2 H -6.261 -3.424 11.512 1.00 . A A . 32 HIS HE2 1 1 19 18147 1 1 32 HIS N N -4.851 -0.607 7.177 1.00 . A A . 32 HIS N 1 1 19 18148 1 1 32 HIS ND1 N -6.806 -3.675 8.458 1.00 . A A . 32 HIS ND1 1 1 19 18149 1 1 32 HIS NE2 N -6.226 -3.425 10.512 1.00 . A A . 32 HIS NE2 1 1 19 18150 1 1 32 HIS O O -3.126 -2.404 5.085 1.00 . A A . 32 HIS O 1 1 19 18151 1 1 33 SER C C 0.299 -1.005 5.984 1.00 . A A . 33 SER C 1 1 19 18152 1 1 33 SER CA C -0.985 -0.558 5.313 1.00 . A A . 33 SER CA 1 1 19 18153 1 1 33 SER CB C -0.929 0.939 4.869 1.00 . A A . 33 SER CB 1 1 19 18154 1 1 33 SER H H -2.096 -0.214 7.055 1.00 . A A . 33 SER H 1 1 19 18155 1 1 33 SER HA H -1.113 -1.201 4.458 1.00 . A A . 33 SER HA 1 1 19 18156 1 1 33 SER HB2 H -0.320 1.050 3.946 1.00 . A A . 33 SER HB2 1 1 19 18157 1 1 33 SER HB3 H -1.971 1.255 4.627 1.00 . A A . 33 SER HB3 1 1 19 18158 1 1 33 SER HG H -0.719 2.718 5.651 1.00 . A A . 33 SER HG 1 1 19 18159 1 1 33 SER N N -2.087 -0.765 6.219 1.00 . A A . 33 SER N 1 1 19 18160 1 1 33 SER O O 0.281 -1.633 7.034 1.00 . A A . 33 SER O 1 1 19 18161 1 1 33 SER OG O -0.424 1.823 5.876 1.00 . A A . 33 SER OG 1 1 19 18162 1 1 34 ALA C C 3.631 0.219 5.966 1.00 . A A . 34 ALA C 1 1 19 18163 1 1 34 ALA CA C 2.745 -1.009 5.995 1.00 . A A . 34 ALA CA 1 1 19 18164 1 1 34 ALA CB C 3.360 -2.188 5.215 1.00 . A A . 34 ALA CB 1 1 19 18165 1 1 34 ALA H H 1.532 -0.205 4.552 1.00 . A A . 34 ALA H 1 1 19 18166 1 1 34 ALA HA H 2.631 -1.265 7.039 1.00 . A A . 34 ALA HA 1 1 19 18167 1 1 34 ALA HB1 H 2.670 -3.059 5.278 1.00 . A A . 34 ALA HB1 1 1 19 18168 1 1 34 ALA HB2 H 4.342 -2.474 5.648 1.00 . A A . 34 ALA HB2 1 1 19 18169 1 1 34 ALA HB3 H 3.488 -1.910 4.150 1.00 . A A . 34 ALA HB3 1 1 19 18170 1 1 34 ALA N N 1.470 -0.689 5.408 1.00 . A A . 34 ALA N 1 1 19 18171 1 1 34 ALA O O 4.747 0.219 5.446 1.00 . A A . 34 ALA O 1 1 19 18172 1 1 35 CYS C C 3.534 3.187 7.963 1.00 . A A . 35 CYS C 1 1 19 18173 1 1 35 CYS CA C 3.713 2.612 6.576 1.00 . A A . 35 CYS CA 1 1 19 18174 1 1 35 CYS CB C 3.028 3.593 5.600 1.00 . A A . 35 CYS CB 1 1 19 18175 1 1 35 CYS H H 2.147 1.277 6.825 1.00 . A A . 35 CYS H 1 1 19 18176 1 1 35 CYS HA H 4.773 2.541 6.399 1.00 . A A . 35 CYS HA 1 1 19 18177 1 1 35 CYS HB2 H 1.930 3.472 5.714 1.00 . A A . 35 CYS HB2 1 1 19 18178 1 1 35 CYS HB3 H 3.283 4.644 5.851 1.00 . A A . 35 CYS HB3 1 1 19 18179 1 1 35 CYS N N 3.081 1.321 6.486 1.00 . A A . 35 CYS N 1 1 19 18180 1 1 35 CYS O O 2.615 2.811 8.680 1.00 . A A . 35 CYS O 1 1 19 18181 1 1 35 CYS SG S 3.524 3.276 3.888 1.00 . A A . 35 CYS SG 1 1 19 18182 1 1 36 ASP C C 2.868 5.811 9.456 1.00 . A A . 36 ASP C 1 1 19 18183 1 1 36 ASP CA C 4.140 4.972 9.549 1.00 . A A . 36 ASP CA 1 1 19 18184 1 1 36 ASP CB C 5.399 5.810 9.902 1.00 . A A . 36 ASP CB 1 1 19 18185 1 1 36 ASP CG C 5.275 6.419 11.290 1.00 . A A . 36 ASP CG 1 1 19 18186 1 1 36 ASP H H 5.209 4.329 7.850 1.00 . A A . 36 ASP H 1 1 19 18187 1 1 36 ASP HA H 3.963 4.268 10.356 1.00 . A A . 36 ASP HA 1 1 19 18188 1 1 36 ASP HB2 H 6.288 5.144 9.922 1.00 . A A . 36 ASP HB2 1 1 19 18189 1 1 36 ASP HB3 H 5.597 6.611 9.163 1.00 . A A . 36 ASP HB3 1 1 19 18190 1 1 36 ASP HD2 H 6.104 7.745 12.424 1.00 . A A . 36 ASP HD2 1 1 19 18191 1 1 36 ASP N N 4.349 4.187 8.350 1.00 . A A . 36 ASP N 1 1 19 18192 1 1 36 ASP O O 1.960 5.668 10.268 1.00 . A A . 36 ASP O 1 1 19 18193 1 1 36 ASP OD1 O 4.445 6.123 12.127 1.00 . A A . 36 ASP OD1 1 1 19 18194 1 1 36 ASP OD2 O 6.203 7.392 11.532 1.00 . A A . 36 ASP OD2 1 1 19 18195 1 1 37 LYS C C 0.582 6.897 7.309 1.00 . A A . 37 LYS C 1 1 19 18196 1 1 37 LYS CA C 1.605 7.524 8.239 1.00 . A A . 37 LYS CA 1 1 19 18197 1 1 37 LYS CB C 2.038 8.907 7.732 1.00 . A A . 37 LYS CB 1 1 19 18198 1 1 37 LYS CD C 1.105 10.443 9.535 1.00 . A A . 37 LYS CD 1 1 19 18199 1 1 37 LYS CE C 0.570 11.844 9.840 1.00 . A A . 37 LYS CE 1 1 19 18200 1 1 37 LYS CG C 1.064 10.051 8.043 1.00 . A A . 37 LYS CG 1 1 19 18201 1 1 37 LYS H H 3.499 6.840 7.798 1.00 . A A . 37 LYS H 1 1 19 18202 1 1 37 LYS HA H 1.125 7.670 9.194 1.00 . A A . 37 LYS HA 1 1 19 18203 1 1 37 LYS HB2 H 3.000 9.163 8.218 1.00 . A A . 37 LYS HB2 1 1 19 18204 1 1 37 LYS HB3 H 2.260 8.865 6.651 1.00 . A A . 37 LYS HB3 1 1 19 18205 1 1 37 LYS HD2 H 0.557 9.690 10.143 1.00 . A A . 37 LYS HD2 1 1 19 18206 1 1 37 LYS HD3 H 2.169 10.436 9.876 1.00 . A A . 37 LYS HD3 1 1 19 18207 1 1 37 LYS HE2 H 0.694 12.080 10.918 1.00 . A A . 37 LYS HE2 1 1 19 18208 1 1 37 LYS HE3 H 1.117 12.601 9.240 1.00 . A A . 37 LYS HE3 1 1 19 18209 1 1 37 LYS HG2 H 1.382 10.933 7.442 1.00 . A A . 37 LYS HG2 1 1 19 18210 1 1 37 LYS HG3 H 0.034 9.786 7.719 1.00 . A A . 37 LYS HG3 1 1 19 18211 1 1 37 LYS HZ1 H -1.413 11.293 10.107 1.00 . A A . 37 LYS HZ1 1 1 19 18212 1 1 37 LYS HZ2 H -1.019 11.736 8.514 1.00 . A A . 37 LYS HZ2 1 1 19 18213 1 1 37 LYS HZ3 H -1.188 12.929 9.708 1.00 . A A . 37 LYS HZ3 1 1 19 18214 1 1 37 LYS N N 2.765 6.688 8.439 1.00 . A A . 37 LYS N 1 1 19 18215 1 1 37 LYS NZ N -0.868 11.957 9.520 1.00 . A A . 37 LYS NZ 1 1 19 18216 1 1 37 LYS O O 0.789 6.748 6.096 1.00 . A A . 37 LYS O 1 1 19 18217 1 1 38 CYS C C -2.549 7.546 7.051 1.00 . A A . 38 CYS C 1 1 19 18218 1 1 38 CYS CA C -1.795 6.245 7.184 1.00 . A A . 38 CYS CA 1 1 19 18219 1 1 38 CYS CB C -2.621 5.238 8.011 1.00 . A A . 38 CYS CB 1 1 19 18220 1 1 38 CYS H H -0.696 6.536 8.881 1.00 . A A . 38 CYS H 1 1 19 18221 1 1 38 CYS HA H -1.587 5.875 6.187 1.00 . A A . 38 CYS HA 1 1 19 18222 1 1 38 CYS HB2 H -1.955 4.376 8.238 1.00 . A A . 38 CYS HB2 1 1 19 18223 1 1 38 CYS HB3 H -2.873 5.731 8.985 1.00 . A A . 38 CYS HB3 1 1 19 18224 1 1 38 CYS N N -0.565 6.500 7.877 1.00 . A A . 38 CYS N 1 1 19 18225 1 1 38 CYS O O -2.939 8.142 8.048 1.00 . A A . 38 CYS O 1 1 19 18226 1 1 38 CYS SG S -4.106 4.645 7.141 1.00 . A A . 38 CYS SG 1 1 19 18227 1 1 39 VAL C C -4.789 8.711 4.855 1.00 . A A . 39 VAL C 1 1 19 18228 1 1 39 VAL CA C -3.585 9.205 5.607 1.00 . A A . 39 VAL CA 1 1 19 18229 1 1 39 VAL CB C -2.755 10.217 4.840 1.00 . A A . 39 VAL CB 1 1 19 18230 1 1 39 VAL CG1 C -3.253 10.524 3.429 1.00 . A A . 39 VAL CG1 1 1 19 18231 1 1 39 VAL CG2 C -2.690 11.532 5.606 1.00 . A A . 39 VAL CG2 1 1 19 18232 1 1 39 VAL H H -2.390 7.651 4.988 1.00 . A A . 39 VAL H 1 1 19 18233 1 1 39 VAL HA H -3.930 9.639 6.527 1.00 . A A . 39 VAL HA 1 1 19 18234 1 1 39 VAL HB H -1.717 9.819 4.738 1.00 . A A . 39 VAL HB 1 1 19 18235 1 1 39 VAL HG11 H -2.608 11.303 2.983 1.00 . A A . 39 VAL HG11 1 1 19 18236 1 1 39 VAL HG12 H -4.283 10.927 3.462 1.00 . A A . 39 VAL HG12 1 1 19 18237 1 1 39 VAL HG13 H -3.231 9.614 2.806 1.00 . A A . 39 VAL HG13 1 1 19 18238 1 1 39 VAL HG21 H -2.288 11.378 6.626 1.00 . A A . 39 VAL HG21 1 1 19 18239 1 1 39 VAL HG22 H -3.706 11.973 5.661 1.00 . A A . 39 VAL HG22 1 1 19 18240 1 1 39 VAL HG23 H -2.034 12.236 5.055 1.00 . A A . 39 VAL HG23 1 1 19 18241 1 1 39 VAL N N -2.747 8.057 5.833 1.00 . A A . 39 VAL N 1 1 19 18242 1 1 39 VAL O O -4.677 7.700 4.157 1.00 . A A . 39 VAL O 1 1 19 18243 1 1 40 CYS C C -8.011 9.883 3.745 1.00 . A A . 40 CYS C 1 1 19 18244 1 1 40 CYS CA C -7.113 8.792 4.250 1.00 . A A . 40 CYS CA 1 1 19 18245 1 1 40 CYS CB C -7.985 7.945 5.202 1.00 . A A . 40 CYS CB 1 1 19 18246 1 1 40 CYS H H -6.133 10.109 5.534 1.00 . A A . 40 CYS H 1 1 19 18247 1 1 40 CYS HA H -6.840 8.211 3.387 1.00 . A A . 40 CYS HA 1 1 19 18248 1 1 40 CYS HB2 H -8.330 8.628 5.995 1.00 . A A . 40 CYS HB2 1 1 19 18249 1 1 40 CYS HB3 H -8.892 7.619 4.664 1.00 . A A . 40 CYS HB3 1 1 19 18250 1 1 40 CYS N N -5.957 9.355 4.901 1.00 . A A . 40 CYS N 1 1 19 18251 1 1 40 CYS O O -8.450 10.772 4.475 1.00 . A A . 40 CYS O 1 1 19 18252 1 1 40 CYS SG S -7.178 6.522 6.002 1.00 . A A . 40 CYS SG 1 1 19 18253 1 1 41 ALA C C -10.714 10.207 2.350 1.00 . A A . 41 ALA C 1 1 19 18254 1 1 41 ALA CA C -9.356 10.620 1.843 1.00 . A A . 41 ALA CA 1 1 19 18255 1 1 41 ALA CB C -9.320 10.614 0.317 1.00 . A A . 41 ALA CB 1 1 19 18256 1 1 41 ALA H H -7.950 9.071 1.893 1.00 . A A . 41 ALA H 1 1 19 18257 1 1 41 ALA HA H -9.203 11.649 2.147 1.00 . A A . 41 ALA HA 1 1 19 18258 1 1 41 ALA HB1 H -8.294 10.866 -0.026 1.00 . A A . 41 ALA HB1 1 1 19 18259 1 1 41 ALA HB2 H -10.007 11.397 -0.073 1.00 . A A . 41 ALA HB2 1 1 19 18260 1 1 41 ALA HB3 H -9.611 9.632 -0.093 1.00 . A A . 41 ALA HB3 1 1 19 18261 1 1 41 ALA N N -8.312 9.824 2.438 1.00 . A A . 41 ALA N 1 1 19 18262 1 1 41 ALA O O -11.050 9.025 2.405 1.00 . A A . 41 ALA O 1 1 19 18263 1 1 42 TYR C C -13.962 10.745 2.676 1.00 . A A . 42 TYR C 1 1 19 18264 1 1 42 TYR CA C -12.734 11.092 3.486 1.00 . A A . 42 TYR CA 1 1 19 18265 1 1 42 TYR CB C -12.927 12.411 4.273 1.00 . A A . 42 TYR CB 1 1 19 18266 1 1 42 TYR CD1 C -13.687 14.051 2.502 1.00 . A A . 42 TYR CD1 1 1 19 18267 1 1 42 TYR CD2 C -11.454 14.292 3.397 1.00 . A A . 42 TYR CD2 1 1 19 18268 1 1 42 TYR CE1 C -13.455 15.131 1.643 1.00 . A A . 42 TYR CE1 1 1 19 18269 1 1 42 TYR CE2 C -11.220 15.370 2.533 1.00 . A A . 42 TYR CE2 1 1 19 18270 1 1 42 TYR CG C -12.694 13.623 3.398 1.00 . A A . 42 TYR CG 1 1 19 18271 1 1 42 TYR CZ C -12.229 15.796 1.667 1.00 . A A . 42 TYR CZ 1 1 19 18272 1 1 42 TYR H H -11.182 12.141 2.637 1.00 . A A . 42 TYR H 1 1 19 18273 1 1 42 TYR HA H -12.588 10.279 4.179 1.00 . A A . 42 TYR HA 1 1 19 18274 1 1 42 TYR HB2 H -13.927 12.475 4.747 1.00 . A A . 42 TYR HB2 1 1 19 18275 1 1 42 TYR HB3 H -12.154 12.403 5.067 1.00 . A A . 42 TYR HB3 1 1 19 18276 1 1 42 TYR HD1 H -14.632 13.532 2.449 1.00 . A A . 42 TYR HD1 1 1 19 18277 1 1 42 TYR HD2 H -10.642 13.972 4.035 1.00 . A A . 42 TYR HD2 1 1 19 18278 1 1 42 TYR HE1 H -14.232 15.436 0.960 1.00 . A A . 42 TYR HE1 1 1 19 18279 1 1 42 TYR HE2 H -10.258 15.861 2.553 1.00 . A A . 42 TYR HE2 1 1 19 18280 1 1 42 TYR HH H -12.896 17.180 0.510 1.00 . A A . 42 TYR HH 1 1 19 18281 1 1 42 TYR N N -11.512 11.208 2.721 1.00 . A A . 42 TYR N 1 1 19 18282 1 1 42 TYR O O -15.082 10.641 3.181 1.00 . A A . 42 TYR O 1 1 19 18283 1 1 42 TYR OH O -12.019 16.903 0.837 1.00 . A A . 42 TYR OH 1 1 19 18284 1 1 43 SER C C -15.257 8.763 0.596 1.00 . A A . 43 SER C 1 1 19 18285 1 1 43 SER CA C -14.663 10.124 0.359 1.00 . A A . 43 SER CA 1 1 19 18286 1 1 43 SER CB C -14.002 10.054 -1.030 1.00 . A A . 43 SER CB 1 1 19 18287 1 1 43 SER H H -12.814 10.737 1.079 1.00 . A A . 43 SER H 1 1 19 18288 1 1 43 SER HA H -15.483 10.832 0.320 1.00 . A A . 43 SER HA 1 1 19 18289 1 1 43 SER HB2 H -13.249 9.228 -1.062 1.00 . A A . 43 SER HB2 1 1 19 18290 1 1 43 SER HB3 H -14.791 9.883 -1.810 1.00 . A A . 43 SER HB3 1 1 19 18291 1 1 43 SER HG H -12.946 11.184 -2.210 1.00 . A A . 43 SER HG 1 1 19 18292 1 1 43 SER N N -13.742 10.567 1.378 1.00 . A A . 43 SER N 1 1 19 18293 1 1 43 SER O O -14.781 7.966 1.392 1.00 . A A . 43 SER O 1 1 19 18294 1 1 43 SER OG O -13.335 11.279 -1.304 1.00 . A A . 43 SER OG 1 1 19 18295 1 1 44 ASN C C -16.362 6.340 -1.412 1.00 . A A . 44 ASN C 1 1 19 18296 1 1 44 ASN CA C -16.914 7.151 -0.230 1.00 . A A . 44 ASN CA 1 1 19 18297 1 1 44 ASN CB C -18.452 7.277 -0.272 1.00 . A A . 44 ASN CB 1 1 19 18298 1 1 44 ASN CG C -18.960 8.050 -1.482 1.00 . A A . 44 ASN CG 1 1 19 18299 1 1 44 ASN H H -16.800 9.156 -0.654 1.00 . A A . 44 ASN H 1 1 19 18300 1 1 44 ASN HA H -16.691 6.625 0.683 1.00 . A A . 44 ASN HA 1 1 19 18301 1 1 44 ASN HB2 H -18.923 6.291 -0.172 1.00 . A A . 44 ASN HB2 1 1 19 18302 1 1 44 ASN HB3 H -18.757 7.853 0.619 1.00 . A A . 44 ASN HB3 1 1 19 18303 1 1 44 ASN HD21 H -19.513 6.373 -2.535 1.00 . A A . 44 ASN HD21 1 1 19 18304 1 1 44 ASN HD22 H -19.879 7.875 -3.293 1.00 . A A . 44 ASN HD22 1 1 19 18305 1 1 44 ASN N N -16.345 8.462 -0.119 1.00 . A A . 44 ASN N 1 1 19 18306 1 1 44 ASN ND2 N -19.510 7.378 -2.512 1.00 . A A . 44 ASN ND2 1 1 19 18307 1 1 44 ASN O O -16.392 6.840 -2.536 1.00 . A A . 44 ASN O 1 1 19 18308 1 1 44 ASN OD1 O -18.839 9.282 -1.512 1.00 . A A . 44 ASN OD1 1 1 19 18309 1 1 45 PRO C C -13.988 5.241 0.318 1.00 . A A . 45 PRO C 1 1 19 18310 1 1 45 PRO CA C -15.331 4.585 -0.012 1.00 . A A . 45 PRO CA 1 1 19 18311 1 1 45 PRO CB C -15.171 3.099 -0.346 1.00 . A A . 45 PRO CB 1 1 19 18312 1 1 45 PRO CD C -15.591 4.260 -2.400 1.00 . A A . 45 PRO CD 1 1 19 18313 1 1 45 PRO CG C -14.789 3.090 -1.829 1.00 . A A . 45 PRO CG 1 1 19 18314 1 1 45 PRO HA H -16.024 4.763 0.794 1.00 . A A . 45 PRO HA 1 1 19 18315 1 1 45 PRO HB2 H -14.451 2.582 0.309 1.00 . A A . 45 PRO HB2 1 1 19 18316 1 1 45 PRO HB3 H -16.145 2.594 -0.206 1.00 . A A . 45 PRO HB3 1 1 19 18317 1 1 45 PRO HD2 H -15.012 4.807 -3.180 1.00 . A A . 45 PRO HD2 1 1 19 18318 1 1 45 PRO HD3 H -16.560 3.911 -2.829 1.00 . A A . 45 PRO HD3 1 1 19 18319 1 1 45 PRO HG2 H -13.705 3.297 -1.937 1.00 . A A . 45 PRO HG2 1 1 19 18320 1 1 45 PRO HG3 H -15.017 2.130 -2.328 1.00 . A A . 45 PRO HG3 1 1 19 18321 1 1 45 PRO N N -15.872 5.121 -1.249 1.00 . A A . 45 PRO N 1 1 19 18322 1 1 45 PRO O O -13.400 5.846 -0.587 1.00 . A A . 45 PRO O 1 1 19 18323 1 1 46 PRO C C -11.066 5.420 1.296 1.00 . A A . 46 PRO C 1 1 19 18324 1 1 46 PRO CA C -12.318 5.960 1.933 1.00 . A A . 46 PRO CA 1 1 19 18325 1 1 46 PRO CB C -12.282 5.912 3.462 1.00 . A A . 46 PRO CB 1 1 19 18326 1 1 46 PRO CD C -14.261 4.778 2.723 1.00 . A A . 46 PRO CD 1 1 19 18327 1 1 46 PRO CG C -13.229 4.777 3.839 1.00 . A A . 46 PRO CG 1 1 19 18328 1 1 46 PRO HA H -12.431 6.977 1.595 1.00 . A A . 46 PRO HA 1 1 19 18329 1 1 46 PRO HB2 H -11.263 5.777 3.878 1.00 . A A . 46 PRO HB2 1 1 19 18330 1 1 46 PRO HB3 H -12.701 6.863 3.853 1.00 . A A . 46 PRO HB3 1 1 19 18331 1 1 46 PRO HD2 H -14.681 3.746 2.582 1.00 . A A . 46 PRO HD2 1 1 19 18332 1 1 46 PRO HD3 H -15.036 5.562 2.936 1.00 . A A . 46 PRO HD3 1 1 19 18333 1 1 46 PRO HG2 H -12.676 3.815 3.802 1.00 . A A . 46 PRO HG2 1 1 19 18334 1 1 46 PRO HG3 H -13.667 4.941 4.843 1.00 . A A . 46 PRO HG3 1 1 19 18335 1 1 46 PRO N N -13.495 5.195 1.555 1.00 . A A . 46 PRO N 1 1 19 18336 1 1 46 PRO O O -10.990 4.243 0.941 1.00 . A A . 46 PRO O 1 1 19 18337 1 1 47 GLN C C -7.701 6.133 1.163 1.00 . A A . 47 GLN C 1 1 19 18338 1 1 47 GLN CA C -8.910 5.962 0.290 1.00 . A A . 47 GLN CA 1 1 19 18339 1 1 47 GLN CB C -8.844 6.792 -1.012 1.00 . A A . 47 GLN CB 1 1 19 18340 1 1 47 GLN CD C -10.331 5.490 -2.677 1.00 . A A . 47 GLN CD 1 1 19 18341 1 1 47 GLN CG C -10.141 6.777 -1.864 1.00 . A A . 47 GLN CG 1 1 19 18342 1 1 47 GLN H H -10.168 7.232 1.414 1.00 . A A . 47 GLN H 1 1 19 18343 1 1 47 GLN HA H -8.920 4.914 0.037 1.00 . A A . 47 GLN HA 1 1 19 18344 1 1 47 GLN HB2 H -8.624 7.844 -0.748 1.00 . A A . 47 GLN HB2 1 1 19 18345 1 1 47 GLN HB3 H -8.010 6.413 -1.632 1.00 . A A . 47 GLN HB3 1 1 19 18346 1 1 47 GLN HE21 H -10.890 4.432 -1.036 1.00 . A A . 47 GLN HE21 1 1 19 18347 1 1 47 GLN HE22 H -10.762 3.511 -2.501 1.00 . A A . 47 GLN HE22 1 1 19 18348 1 1 47 GLN HG2 H -11.035 6.948 -1.234 1.00 . A A . 47 GLN HG2 1 1 19 18349 1 1 47 GLN HG3 H -10.086 7.610 -2.595 1.00 . A A . 47 GLN HG3 1 1 19 18350 1 1 47 GLN N N -10.079 6.297 1.072 1.00 . A A . 47 GLN N 1 1 19 18351 1 1 47 GLN NE2 N -10.717 4.381 -2.018 1.00 . A A . 47 GLN NE2 1 1 19 18352 1 1 47 GLN O O -7.056 7.182 1.207 1.00 . A A . 47 GLN O 1 1 19 18353 1 1 47 GLN OE1 O -10.124 5.495 -3.894 1.00 . A A . 47 GLN OE1 1 1 19 18354 1 1 48 CYS C C -4.995 4.767 2.274 1.00 . A A . 48 CYS C 1 1 19 18355 1 1 48 CYS CA C -6.332 5.072 2.906 1.00 . A A . 48 CYS CA 1 1 19 18356 1 1 48 CYS CB C -6.611 4.191 4.137 1.00 . A A . 48 CYS CB 1 1 19 18357 1 1 48 CYS H H -7.905 4.222 1.806 1.00 . A A . 48 CYS H 1 1 19 18358 1 1 48 CYS HA H -6.217 6.070 3.288 1.00 . A A . 48 CYS HA 1 1 19 18359 1 1 48 CYS HB2 H -6.851 3.155 3.814 1.00 . A A . 48 CYS HB2 1 1 19 18360 1 1 48 CYS HB3 H -5.696 4.166 4.766 1.00 . A A . 48 CYS HB3 1 1 19 18361 1 1 48 CYS N N -7.419 5.090 1.954 1.00 . A A . 48 CYS N 1 1 19 18362 1 1 48 CYS O O -4.722 3.660 1.806 1.00 . A A . 48 CYS O 1 1 19 18363 1 1 48 CYS SG S -7.972 4.865 5.138 1.00 . A A . 48 CYS SG 1 1 19 18364 1 1 49 GLN C C -1.710 5.593 2.509 1.00 . A A . 49 GLN C 1 1 19 18365 1 1 49 GLN CA C -2.866 5.822 1.570 1.00 . A A . 49 GLN CA 1 1 19 18366 1 1 49 GLN CB C -2.678 7.210 0.931 1.00 . A A . 49 GLN CB 1 1 19 18367 1 1 49 GLN CD C -3.451 8.912 -0.774 1.00 . A A . 49 GLN CD 1 1 19 18368 1 1 49 GLN CG C -3.604 7.479 -0.269 1.00 . A A . 49 GLN CG 1 1 19 18369 1 1 49 GLN H H -4.322 6.599 2.786 1.00 . A A . 49 GLN H 1 1 19 18370 1 1 49 GLN HA H -2.837 5.058 0.818 1.00 . A A . 49 GLN HA 1 1 19 18371 1 1 49 GLN HB2 H -2.900 7.957 1.718 1.00 . A A . 49 GLN HB2 1 1 19 18372 1 1 49 GLN HB3 H -1.626 7.351 0.593 1.00 . A A . 49 GLN HB3 1 1 19 18373 1 1 49 GLN HE21 H -4.426 9.622 0.847 1.00 . A A . 49 GLN HE21 1 1 19 18374 1 1 49 GLN HE22 H -3.875 10.836 -0.265 1.00 . A A . 49 GLN HE22 1 1 19 18375 1 1 49 GLN HG2 H -3.340 6.797 -1.102 1.00 . A A . 49 GLN HG2 1 1 19 18376 1 1 49 GLN HG3 H -4.666 7.299 -0.008 1.00 . A A . 49 GLN HG3 1 1 19 18377 1 1 49 GLN N N -4.117 5.774 2.259 1.00 . A A . 49 GLN N 1 1 19 18378 1 1 49 GLN NE2 N -3.950 9.880 0.019 1.00 . A A . 49 GLN NE2 1 1 19 18379 1 1 49 GLN O O -1.682 6.015 3.668 1.00 . A A . 49 GLN O 1 1 19 18380 1 1 49 GLN OE1 O -2.876 9.162 -1.831 1.00 . A A . 49 GLN OE1 1 1 19 18381 1 1 50 CYS C C 1.564 5.662 2.394 1.00 . A A . 50 CYS C 1 1 19 18382 1 1 50 CYS CA C 0.539 4.570 2.670 1.00 . A A . 50 CYS CA 1 1 19 18383 1 1 50 CYS CB C 1.020 3.197 2.116 1.00 . A A . 50 CYS CB 1 1 19 18384 1 1 50 CYS H H -0.764 4.624 1.027 1.00 . A A . 50 CYS H 1 1 19 18385 1 1 50 CYS HA H 0.369 4.558 3.738 1.00 . A A . 50 CYS HA 1 1 19 18386 1 1 50 CYS HB2 H 0.106 2.598 1.906 1.00 . A A . 50 CYS HB2 1 1 19 18387 1 1 50 CYS HB3 H 1.500 3.351 1.122 1.00 . A A . 50 CYS HB3 1 1 19 18388 1 1 50 CYS N N -0.692 4.905 1.983 1.00 . A A . 50 CYS N 1 1 19 18389 1 1 50 CYS O O 2.413 5.543 1.520 1.00 . A A . 50 CYS O 1 1 19 18390 1 1 50 CYS SG S 2.071 2.128 3.153 1.00 . A A . 50 CYS SG 1 1 19 18391 1 1 51 TYR C C 3.744 7.787 3.009 1.00 . A A . 51 TYR C 1 1 19 18392 1 1 51 TYR CA C 2.249 7.994 2.965 1.00 . A A . 51 TYR CA 1 1 19 18393 1 1 51 TYR CB C 1.815 9.129 3.942 1.00 . A A . 51 TYR CB 1 1 19 18394 1 1 51 TYR CD1 C 0.065 9.966 2.365 1.00 . A A . 51 TYR CD1 1 1 19 18395 1 1 51 TYR CD2 C 1.752 11.533 3.100 1.00 . A A . 51 TYR CD2 1 1 19 18396 1 1 51 TYR CE1 C -0.368 10.887 1.404 1.00 . A A . 51 TYR CE1 1 1 19 18397 1 1 51 TYR CE2 C 1.266 12.477 2.189 1.00 . A A . 51 TYR CE2 1 1 19 18398 1 1 51 TYR CG C 1.187 10.248 3.162 1.00 . A A . 51 TYR CG 1 1 19 18399 1 1 51 TYR CZ C 0.248 12.134 1.299 1.00 . A A . 51 TYR CZ 1 1 19 18400 1 1 51 TYR H H 0.770 6.797 3.859 1.00 . A A . 51 TYR H 1 1 19 18401 1 1 51 TYR HA H 2.103 8.301 1.941 1.00 . A A . 51 TYR HA 1 1 19 18402 1 1 51 TYR HB2 H 1.061 8.773 4.663 1.00 . A A . 51 TYR HB2 1 1 19 18403 1 1 51 TYR HB3 H 2.669 9.520 4.529 1.00 . A A . 51 TYR HB3 1 1 19 18404 1 1 51 TYR HD1 H -0.432 9.013 2.438 1.00 . A A . 51 TYR HD1 1 1 19 18405 1 1 51 TYR HD2 H 2.608 11.816 3.689 1.00 . A A . 51 TYR HD2 1 1 19 18406 1 1 51 TYR HE1 H -1.144 10.603 0.715 1.00 . A A . 51 TYR HE1 1 1 19 18407 1 1 51 TYR HE2 H 1.770 13.425 2.133 1.00 . A A . 51 TYR HE2 1 1 19 18408 1 1 51 TYR HH H -0.088 12.439 -0.557 1.00 . A A . 51 TYR HH 1 1 19 18409 1 1 51 TYR N N 1.425 6.799 3.105 1.00 . A A . 51 TYR N 1 1 19 18410 1 1 51 TYR O O 4.509 8.362 2.242 1.00 . A A . 51 TYR O 1 1 19 18411 1 1 51 TYR OH O -0.088 12.997 0.242 1.00 . A A . 51 TYR OH 1 1 19 18412 1 1 52 ASP C C 6.288 5.794 3.329 1.00 . A A . 52 ASP C 1 1 19 18413 1 1 52 ASP CA C 5.597 6.782 4.264 1.00 . A A . 52 ASP CA 1 1 19 18414 1 1 52 ASP CB C 5.800 6.392 5.763 1.00 . A A . 52 ASP CB 1 1 19 18415 1 1 52 ASP CG C 7.173 6.826 6.255 1.00 . A A . 52 ASP CG 1 1 19 18416 1 1 52 ASP H H 3.495 6.461 4.465 1.00 . A A . 52 ASP H 1 1 19 18417 1 1 52 ASP HA H 6.086 7.734 4.078 1.00 . A A . 52 ASP HA 1 1 19 18418 1 1 52 ASP HB2 H 5.045 6.915 6.374 1.00 . A A . 52 ASP HB2 1 1 19 18419 1 1 52 ASP HB3 H 5.668 5.304 5.916 1.00 . A A . 52 ASP HB3 1 1 19 18420 1 1 52 ASP HD2 H 8.166 8.446 6.590 1.00 . A A . 52 ASP HD2 1 1 19 18421 1 1 52 ASP N N 4.190 6.962 3.966 1.00 . A A . 52 ASP N 1 1 19 18422 1 1 52 ASP O O 5.678 5.020 2.601 1.00 . A A . 52 ASP O 1 1 19 18423 1 1 52 ASP OD1 O 8.110 6.097 6.503 1.00 . A A . 52 ASP OD1 1 1 19 18424 1 1 52 ASP OD2 O 7.264 8.179 6.352 1.00 . A A . 52 ASP OD2 1 1 19 18425 1 1 53 THR C C 8.553 3.506 3.145 1.00 . A A . 53 THR C 1 1 19 18426 1 1 53 THR CA C 8.432 4.886 2.544 1.00 . A A . 53 THR CA 1 1 19 18427 1 1 53 THR CB C 9.821 5.430 2.223 1.00 . A A . 53 THR CB 1 1 19 18428 1 1 53 THR CG2 C 9.643 6.649 1.311 1.00 . A A . 53 THR CG2 1 1 19 18429 1 1 53 THR H H 8.128 6.472 3.870 1.00 . A A . 53 THR H 1 1 19 18430 1 1 53 THR HA H 7.930 4.757 1.597 1.00 . A A . 53 THR HA 1 1 19 18431 1 1 53 THR HB H 10.429 4.667 1.685 1.00 . A A . 53 THR HB 1 1 19 18432 1 1 53 THR HG1 H 11.427 6.086 3.073 1.00 . A A . 53 THR HG1 1 1 19 18433 1 1 53 THR HG21 H 9.132 6.354 0.369 1.00 . A A . 53 THR HG21 1 1 19 18434 1 1 53 THR HG22 H 10.629 7.079 1.046 1.00 . A A . 53 THR HG22 1 1 19 18435 1 1 53 THR HG23 H 9.039 7.447 1.790 1.00 . A A . 53 THR HG23 1 1 19 18436 1 1 53 THR N N 7.624 5.800 3.333 1.00 . A A . 53 THR N 1 1 19 18437 1 1 53 THR O O 8.347 3.279 4.335 1.00 . A A . 53 THR O 1 1 19 18438 1 1 53 THR OG1 O 10.527 5.858 3.382 1.00 . A A . 53 THR OG1 1 1 19 18439 1 1 54 HIS C C 10.224 0.588 1.922 1.00 . A A . 54 HIS C 1 1 19 18440 1 1 54 HIS CA C 9.172 1.182 2.821 1.00 . A A . 54 HIS CA 1 1 19 18441 1 1 54 HIS CB C 7.909 0.286 2.861 1.00 . A A . 54 HIS CB 1 1 19 18442 1 1 54 HIS CD2 C 7.901 -0.359 5.407 1.00 . A A . 54 HIS CD2 1 1 19 18443 1 1 54 HIS CE1 C 7.039 -2.347 5.131 1.00 . A A . 54 HIS CE1 1 1 19 18444 1 1 54 HIS CG C 7.745 -0.575 4.078 1.00 . A A . 54 HIS CG 1 1 19 18445 1 1 54 HIS H H 9.045 2.624 1.341 1.00 . A A . 54 HIS H 1 1 19 18446 1 1 54 HIS HA H 9.621 1.285 3.784 1.00 . A A . 54 HIS HA 1 1 19 18447 1 1 54 HIS HB2 H 7.010 0.933 2.836 1.00 . A A . 54 HIS HB2 1 1 19 18448 1 1 54 HIS HB3 H 7.869 -0.384 1.976 1.00 . A A . 54 HIS HB3 1 1 19 18449 1 1 54 HIS HD1 H 6.912 -2.226 3.073 1.00 . A A . 54 HIS HD1 1 1 19 18450 1 1 54 HIS HD2 H 8.280 0.500 5.946 1.00 . A A . 54 HIS HD2 1 1 19 18451 1 1 54 HIS HE1 H 6.639 -3.319 5.301 1.00 . A A . 54 HIS HE1 1 1 19 18452 1 1 54 HIS HE2 H 7.440 -1.635 7.037 1.00 . A A . 54 HIS HE2 1 1 19 18453 1 1 54 HIS N N 8.875 2.496 2.322 1.00 . A A . 54 HIS N 1 1 19 18454 1 1 54 HIS ND1 N 7.195 -1.813 3.935 1.00 . A A . 54 HIS ND1 1 1 19 18455 1 1 54 HIS NE2 N 7.464 -1.491 6.042 1.00 . A A . 54 HIS NE2 1 1 19 18456 1 1 54 HIS O O 10.384 0.999 0.783 1.00 . A A . 54 HIS O 1 1 19 18457 1 1 55 LYS C C 11.346 -2.574 1.308 1.00 . A A . 55 LYS C 1 1 19 18458 1 1 55 LYS CA C 11.889 -1.190 1.615 1.00 . A A . 55 LYS CA 1 1 19 18459 1 1 55 LYS CB C 13.226 -1.334 2.374 1.00 . A A . 55 LYS CB 1 1 19 18460 1 1 55 LYS CD C 14.557 -2.325 4.315 1.00 . A A . 55 LYS CD 1 1 19 18461 1 1 55 LYS CE C 14.487 -2.822 5.765 1.00 . A A . 55 LYS CE 1 1 19 18462 1 1 55 LYS CG C 13.168 -2.104 3.701 1.00 . A A . 55 LYS CG 1 1 19 18463 1 1 55 LYS H H 10.928 -0.572 3.384 1.00 . A A . 55 LYS H 1 1 19 18464 1 1 55 LYS HA H 12.065 -0.701 0.667 1.00 . A A . 55 LYS HA 1 1 19 18465 1 1 55 LYS HB2 H 13.967 -1.824 1.713 1.00 . A A . 55 LYS HB2 1 1 19 18466 1 1 55 LYS HB3 H 13.597 -0.313 2.584 1.00 . A A . 55 LYS HB3 1 1 19 18467 1 1 55 LYS HD2 H 15.136 -3.041 3.693 1.00 . A A . 55 LYS HD2 1 1 19 18468 1 1 55 LYS HD3 H 15.108 -1.355 4.320 1.00 . A A . 55 LYS HD3 1 1 19 18469 1 1 55 LYS HE2 H 15.508 -2.976 6.175 1.00 . A A . 55 LYS HE2 1 1 19 18470 1 1 55 LYS HE3 H 13.954 -2.072 6.386 1.00 . A A . 55 LYS HE3 1 1 19 18471 1 1 55 LYS HG2 H 12.575 -1.536 4.447 1.00 . A A . 55 LYS HG2 1 1 19 18472 1 1 55 LYS HG3 H 12.680 -3.093 3.555 1.00 . A A . 55 LYS HG3 1 1 19 18473 1 1 55 LYS HZ1 H 14.231 -4.836 5.307 1.00 . A A . 55 LYS HZ1 1 1 19 18474 1 1 55 LYS HZ2 H 12.781 -3.972 5.485 1.00 . A A . 55 LYS HZ2 1 1 19 18475 1 1 55 LYS HZ3 H 13.689 -4.400 6.856 1.00 . A A . 55 LYS HZ3 1 1 19 18476 1 1 55 LYS N N 10.954 -0.412 2.404 1.00 . A A . 55 LYS N 1 1 19 18477 1 1 55 LYS NZ N 13.743 -4.102 5.860 1.00 . A A . 55 LYS NZ 1 1 19 18478 1 1 55 LYS O O 12.081 -3.524 1.050 1.00 . A A . 55 LYS O 1 1 19 18479 1 1 56 PHE C C 8.034 -3.926 0.698 1.00 . A A . 56 PHE C 1 1 19 18480 1 1 56 PHE CA C 9.395 -4.041 1.355 1.00 . A A . 56 PHE CA 1 1 19 18481 1 1 56 PHE CB C 9.292 -4.585 2.807 1.00 . A A . 56 PHE CB 1 1 19 18482 1 1 56 PHE CD1 C 10.009 -6.985 2.770 1.00 . A A . 56 PHE CD1 1 1 19 18483 1 1 56 PHE CD2 C 7.650 -6.496 2.975 1.00 . A A . 56 PHE CD2 1 1 19 18484 1 1 56 PHE CE1 C 9.734 -8.353 2.830 1.00 . A A . 56 PHE CE1 1 1 19 18485 1 1 56 PHE CE2 C 7.365 -7.863 3.038 1.00 . A A . 56 PHE CE2 1 1 19 18486 1 1 56 PHE CG C 8.974 -6.046 2.848 1.00 . A A . 56 PHE CG 1 1 19 18487 1 1 56 PHE CZ C 8.411 -8.796 2.968 1.00 . A A . 56 PHE CZ 1 1 19 18488 1 1 56 PHE H H 9.431 -1.940 1.448 1.00 . A A . 56 PHE H 1 1 19 18489 1 1 56 PHE HA H 9.974 -4.730 0.747 1.00 . A A . 56 PHE HA 1 1 19 18490 1 1 56 PHE HB2 H 10.281 -4.451 3.297 1.00 . A A . 56 PHE HB2 1 1 19 18491 1 1 56 PHE HB3 H 8.541 -4.029 3.404 1.00 . A A . 56 PHE HB3 1 1 19 18492 1 1 56 PHE HD1 H 11.029 -6.656 2.657 1.00 . A A . 56 PHE HD1 1 1 19 18493 1 1 56 PHE HD2 H 6.838 -5.791 3.017 1.00 . A A . 56 PHE HD2 1 1 19 18494 1 1 56 PHE HE1 H 10.545 -9.061 2.775 1.00 . A A . 56 PHE HE1 1 1 19 18495 1 1 56 PHE HE2 H 6.341 -8.193 3.149 1.00 . A A . 56 PHE HE2 1 1 19 18496 1 1 56 PHE HZ H 8.198 -9.855 3.024 1.00 . A A . 56 PHE HZ 1 1 19 18497 1 1 56 PHE N N 10.020 -2.734 1.362 1.00 . A A . 56 PHE N 1 1 19 18498 1 1 56 PHE O O 7.321 -2.933 0.881 1.00 . A A . 56 PHE O 1 1 19 18499 1 1 57 CYS C C 5.593 -6.144 -0.399 1.00 . A A . 57 CYS C 1 1 19 18500 1 1 57 CYS CA C 6.452 -4.999 -0.881 1.00 . A A . 57 CYS CA 1 1 19 18501 1 1 57 CYS CB C 6.790 -5.167 -2.390 1.00 . A A . 57 CYS CB 1 1 19 18502 1 1 57 CYS H H 8.293 -5.723 -0.197 1.00 . A A . 57 CYS H 1 1 19 18503 1 1 57 CYS HA H 5.878 -4.095 -0.750 1.00 . A A . 57 CYS HA 1 1 19 18504 1 1 57 CYS HB2 H 7.399 -4.293 -2.686 1.00 . A A . 57 CYS HB2 1 1 19 18505 1 1 57 CYS HB3 H 7.451 -6.054 -2.505 1.00 . A A . 57 CYS HB3 1 1 19 18506 1 1 57 CYS N N 7.666 -4.936 -0.103 1.00 . A A . 57 CYS N 1 1 19 18507 1 1 57 CYS O O 5.971 -7.317 -0.409 1.00 . A A . 57 CYS O 1 1 19 18508 1 1 57 CYS SG S 5.378 -5.354 -3.531 1.00 . A A . 57 CYS SG 1 1 19 18509 1 1 58 TYR C C 2.652 -7.336 -0.890 1.00 . A A . 58 TYR C 1 1 19 18510 1 1 58 TYR CA C 3.378 -6.849 0.343 1.00 . A A . 58 TYR CA 1 1 19 18511 1 1 58 TYR CB C 2.303 -6.378 1.350 1.00 . A A . 58 TYR CB 1 1 19 18512 1 1 58 TYR CD1 C 3.820 -5.732 3.271 1.00 . A A . 58 TYR CD1 1 1 19 18513 1 1 58 TYR CD2 C 2.283 -7.576 3.563 1.00 . A A . 58 TYR CD2 1 1 19 18514 1 1 58 TYR CE1 C 4.283 -5.913 4.577 1.00 . A A . 58 TYR CE1 1 1 19 18515 1 1 58 TYR CE2 C 2.742 -7.749 4.866 1.00 . A A . 58 TYR CE2 1 1 19 18516 1 1 58 TYR CG C 2.806 -6.556 2.751 1.00 . A A . 58 TYR CG 1 1 19 18517 1 1 58 TYR CZ C 3.733 -6.910 5.384 1.00 . A A . 58 TYR CZ 1 1 19 18518 1 1 58 TYR H H 4.051 -4.887 -0.025 1.00 . A A . 58 TYR H 1 1 19 18519 1 1 58 TYR HA H 3.881 -7.712 0.769 1.00 . A A . 58 TYR HA 1 1 19 18520 1 1 58 TYR HB2 H 2.041 -5.321 1.193 1.00 . A A . 58 TYR HB2 1 1 19 18521 1 1 58 TYR HB3 H 1.373 -6.976 1.228 1.00 . A A . 58 TYR HB3 1 1 19 18522 1 1 58 TYR HD1 H 4.259 -4.948 2.680 1.00 . A A . 58 TYR HD1 1 1 19 18523 1 1 58 TYR HD2 H 1.505 -8.243 3.226 1.00 . A A . 58 TYR HD2 1 1 19 18524 1 1 58 TYR HE1 H 5.048 -5.260 4.960 1.00 . A A . 58 TYR HE1 1 1 19 18525 1 1 58 TYR HE2 H 2.295 -8.530 5.458 1.00 . A A . 58 TYR HE2 1 1 19 18526 1 1 58 TYR HH H 3.384 -7.466 7.176 1.00 . A A . 58 TYR HH 1 1 19 18527 1 1 58 TYR N N 4.353 -5.833 0.003 1.00 . A A . 58 TYR N 1 1 19 18528 1 1 58 TYR O O 2.435 -6.619 -1.860 1.00 . A A . 58 TYR O 1 1 19 18529 1 1 58 TYR OH O 4.128 -7.043 6.726 1.00 . A A . 58 TYR OH 1 1 19 18530 1 1 59 LYS C C 0.108 -8.601 -2.104 1.00 . A A . 59 LYS C 1 1 19 18531 1 1 59 LYS CA C 1.421 -9.301 -1.765 1.00 . A A . 59 LYS CA 1 1 19 18532 1 1 59 LYS CB C 1.227 -10.769 -1.330 1.00 . A A . 59 LYS CB 1 1 19 18533 1 1 59 LYS CD C 3.081 -11.915 0.121 1.00 . A A . 59 LYS CD 1 1 19 18534 1 1 59 LYS CE C 2.688 -13.318 0.597 1.00 . A A . 59 LYS CE 1 1 19 18535 1 1 59 LYS CG C 2.564 -11.538 -1.279 1.00 . A A . 59 LYS CG 1 1 19 18536 1 1 59 LYS H H 2.454 -9.119 -0.005 1.00 . A A . 59 LYS H 1 1 19 18537 1 1 59 LYS HA H 1.964 -9.321 -2.700 1.00 . A A . 59 LYS HA 1 1 19 18538 1 1 59 LYS HB2 H 0.727 -10.804 -0.342 1.00 . A A . 59 LYS HB2 1 1 19 18539 1 1 59 LYS HB3 H 0.556 -11.268 -2.068 1.00 . A A . 59 LYS HB3 1 1 19 18540 1 1 59 LYS HD2 H 4.198 -11.904 0.087 1.00 . A A . 59 LYS HD2 1 1 19 18541 1 1 59 LYS HD3 H 2.770 -11.184 0.894 1.00 . A A . 59 LYS HD3 1 1 19 18542 1 1 59 LYS HE2 H 3.022 -14.088 -0.128 1.00 . A A . 59 LYS HE2 1 1 19 18543 1 1 59 LYS HE3 H 3.158 -13.522 1.581 1.00 . A A . 59 LYS HE3 1 1 19 18544 1 1 59 LYS HG2 H 2.477 -12.470 -1.879 1.00 . A A . 59 LYS HG2 1 1 19 18545 1 1 59 LYS HG3 H 3.347 -10.926 -1.783 1.00 . A A . 59 LYS HG3 1 1 19 18546 1 1 59 LYS HZ1 H 0.884 -12.720 1.424 1.00 . A A . 59 LYS HZ1 1 1 19 18547 1 1 59 LYS HZ2 H 1.009 -14.394 1.145 1.00 . A A . 59 LYS HZ2 1 1 19 18548 1 1 59 LYS HZ3 H 0.762 -13.332 -0.161 1.00 . A A . 59 LYS HZ3 1 1 19 18549 1 1 59 LYS N N 2.272 -8.615 -0.835 1.00 . A A . 59 LYS N 1 1 19 18550 1 1 59 LYS NZ N 1.225 -13.447 0.764 1.00 . A A . 59 LYS NZ 1 1 19 18551 1 1 59 LYS O O -0.432 -7.778 -1.359 1.00 . A A . 59 LYS O 1 1 19 18552 1 1 60 ALA C C -2.904 -9.095 -3.272 1.00 . A A . 60 ALA C 1 1 19 18553 1 1 60 ALA CA C -1.670 -8.354 -3.744 1.00 . A A . 60 ALA CA 1 1 19 18554 1 1 60 ALA CB C -1.659 -8.332 -5.275 1.00 . A A . 60 ALA CB 1 1 19 18555 1 1 60 ALA H H 0.053 -9.492 -3.933 1.00 . A A . 60 ALA H 1 1 19 18556 1 1 60 ALA HA H -1.746 -7.339 -3.374 1.00 . A A . 60 ALA HA 1 1 19 18557 1 1 60 ALA HB1 H -2.593 -7.894 -5.690 1.00 . A A . 60 ALA HB1 1 1 19 18558 1 1 60 ALA HB2 H -1.541 -9.363 -5.675 1.00 . A A . 60 ALA HB2 1 1 19 18559 1 1 60 ALA HB3 H -0.789 -7.741 -5.627 1.00 . A A . 60 ALA HB3 1 1 19 18560 1 1 60 ALA N N -0.438 -8.914 -3.281 1.00 . A A . 60 ALA N 1 1 19 18561 1 1 60 ALA O O -2.944 -10.321 -3.173 1.00 . A A . 60 ALA O 1 1 19 18562 1 1 61 CYS C C -6.230 -7.668 -3.139 1.00 . A A . 61 CYS C 1 1 19 18563 1 1 61 CYS CA C -5.292 -8.798 -2.798 1.00 . A A . 61 CYS CA 1 1 19 18564 1 1 61 CYS CB C -5.546 -9.358 -1.367 1.00 . A A . 61 CYS CB 1 1 19 18565 1 1 61 CYS H H -3.934 -7.348 -3.081 1.00 . A A . 61 CYS H 1 1 19 18566 1 1 61 CYS HA H -5.468 -9.562 -3.529 1.00 . A A . 61 CYS HA 1 1 19 18567 1 1 61 CYS HB2 H -6.445 -10.006 -1.417 1.00 . A A . 61 CYS HB2 1 1 19 18568 1 1 61 CYS HB3 H -4.679 -10.008 -1.122 1.00 . A A . 61 CYS HB3 1 1 19 18569 1 1 61 CYS N N -3.960 -8.327 -2.993 1.00 . A A . 61 CYS N 1 1 19 18570 1 1 61 CYS O O -5.815 -6.514 -3.275 1.00 . A A . 61 CYS O 1 1 19 18571 1 1 61 CYS SG S -5.801 -8.154 -0.010 1.00 . A A . 61 CYS SG 1 1 19 18572 1 1 62 HIS C C -9.139 -6.404 -2.268 1.00 . A A . 62 HIS C 1 1 19 18573 1 1 62 HIS CA C -8.547 -6.981 -3.552 1.00 . A A . 62 HIS CA 1 1 19 18574 1 1 62 HIS CB C -9.723 -7.621 -4.321 1.00 . A A . 62 HIS CB 1 1 19 18575 1 1 62 HIS CD2 C -9.587 -9.672 -5.883 1.00 . A A . 62 HIS CD2 1 1 19 18576 1 1 62 HIS CE1 C -8.387 -8.768 -7.458 1.00 . A A . 62 HIS CE1 1 1 19 18577 1 1 62 HIS CG C -9.315 -8.399 -5.527 1.00 . A A . 62 HIS CG 1 1 19 18578 1 1 62 HIS H H -7.804 -8.922 -3.142 1.00 . A A . 62 HIS H 1 1 19 18579 1 1 62 HIS HA H -8.109 -6.189 -4.148 1.00 . A A . 62 HIS HA 1 1 19 18580 1 1 62 HIS HB2 H -10.262 -8.334 -3.670 1.00 . A A . 62 HIS HB2 1 1 19 18581 1 1 62 HIS HB3 H -10.451 -6.856 -4.643 1.00 . A A . 62 HIS HB3 1 1 19 18582 1 1 62 HIS HD1 H -8.193 -6.925 -6.553 1.00 . A A . 62 HIS HD1 1 1 19 18583 1 1 62 HIS HD2 H -10.168 -10.415 -5.359 1.00 . A A . 62 HIS HD2 1 1 19 18584 1 1 62 HIS HE1 H -7.845 -8.604 -8.361 1.00 . A A . 62 HIS HE1 1 1 19 18585 1 1 62 HIS HE2 H -9.034 -10.732 -7.621 1.00 . A A . 62 HIS HE2 1 1 19 18586 1 1 62 HIS N N -7.525 -7.963 -3.268 1.00 . A A . 62 HIS N 1 1 19 18587 1 1 62 HIS ND1 N -8.567 -7.853 -6.524 1.00 . A A . 62 HIS ND1 1 1 19 18588 1 1 62 HIS NE2 N -8.996 -9.881 -7.093 1.00 . A A . 62 HIS NE2 1 1 19 18589 1 1 62 HIS O O -9.024 -6.998 -1.203 1.00 . A A . 62 HIS O 1 1 19 18590 1 1 63 ASN C C -11.374 -3.472 -1.903 1.00 . A A . 63 ASN C 1 1 19 18591 1 1 63 ASN CA C -10.699 -4.705 -1.338 1.00 . A A . 63 ASN CA 1 1 19 18592 1 1 63 ASN CB C -10.018 -4.414 0.036 1.00 . A A . 63 ASN CB 1 1 19 18593 1 1 63 ASN CG C -8.897 -3.383 0.048 1.00 . A A . 63 ASN CG 1 1 19 18594 1 1 63 ASN H H -9.891 -4.739 -3.201 1.00 . A A . 63 ASN H 1 1 19 18595 1 1 63 ASN HA H -11.483 -5.409 -1.191 1.00 . A A . 63 ASN HA 1 1 19 18596 1 1 63 ASN HB2 H -10.797 -4.056 0.737 1.00 . A A . 63 ASN HB2 1 1 19 18597 1 1 63 ASN HB3 H -9.637 -5.358 0.452 1.00 . A A . 63 ASN HB3 1 1 19 18598 1 1 63 ASN HD21 H -7.563 -4.583 -0.911 1.00 . A A . 63 ASN HD21 1 1 19 18599 1 1 63 ASN HD22 H -7.009 -2.991 -0.609 1.00 . A A . 63 ASN HD22 1 1 19 18600 1 1 63 ASN N N -9.854 -5.263 -2.368 1.00 . A A . 63 ASN N 1 1 19 18601 1 1 63 ASN ND2 N -7.732 -3.674 -0.567 1.00 . A A . 63 ASN ND2 1 1 19 18602 1 1 63 ASN O O -12.592 -3.384 -2.025 1.00 . A A . 63 ASN O 1 1 19 18603 1 1 63 ASN OD1 O -9.099 -2.288 0.561 1.00 . A A . 63 ASN OD1 1 1 19 18604 1 1 64 SER C C -10.335 -1.379 -4.473 1.00 . A A . 64 SER C 1 1 19 18605 1 1 64 SER CA C -10.965 -1.315 -3.085 1.00 . A A . 64 SER CA 1 1 19 18606 1 1 64 SER CB C -10.515 -0.034 -2.316 1.00 . A A . 64 SER CB 1 1 19 18607 1 1 64 SER H H -9.590 -2.602 -2.152 1.00 . A A . 64 SER H 1 1 19 18608 1 1 64 SER HA H -12.032 -1.295 -3.216 1.00 . A A . 64 SER HA 1 1 19 18609 1 1 64 SER HB2 H -10.892 -0.100 -1.276 1.00 . A A . 64 SER HB2 1 1 19 18610 1 1 64 SER HB3 H -9.409 -0.032 -2.242 1.00 . A A . 64 SER HB3 1 1 19 18611 1 1 64 SER HG H -11.882 1.128 -3.146 1.00 . A A . 64 SER HG 1 1 19 18612 1 1 64 SER N N -10.562 -2.510 -2.349 1.00 . A A . 64 SER N 1 1 19 18613 1 1 64 SER O O -9.692 -0.461 -4.956 1.00 . A A . 64 SER O 1 1 19 18614 1 1 64 SER OG O -10.949 1.212 -2.875 1.00 . A A . 64 SER OG 1 1 19 18615 1 1 65 GLU C C -10.388 -1.888 -7.559 1.00 . A A . 65 GLU C 1 1 19 18616 1 1 65 GLU CA C -9.907 -2.812 -6.450 1.00 . A A . 65 GLU CA 1 1 19 18617 1 1 65 GLU CB C -9.959 -4.311 -6.841 1.00 . A A . 65 GLU CB 1 1 19 18618 1 1 65 GLU CD C -7.630 -4.420 -7.921 1.00 . A A . 65 GLU CD 1 1 19 18619 1 1 65 GLU CG C -9.129 -4.661 -8.103 1.00 . A A . 65 GLU CG 1 1 19 18620 1 1 65 GLU H H -11.126 -3.213 -4.828 1.00 . A A . 65 GLU H 1 1 19 18621 1 1 65 GLU HA H -8.862 -2.554 -6.366 1.00 . A A . 65 GLU HA 1 1 19 18622 1 1 65 GLU HB2 H -9.569 -4.902 -5.994 1.00 . A A . 65 GLU HB2 1 1 19 18623 1 1 65 GLU HB3 H -10.998 -4.647 -7.012 1.00 . A A . 65 GLU HB3 1 1 19 18624 1 1 65 GLU HE2 H -6.107 -5.233 -7.091 1.00 . A A . 65 GLU HE2 1 1 19 18625 1 1 65 GLU HG2 H -9.276 -5.734 -8.362 1.00 . A A . 65 GLU HG2 1 1 19 18626 1 1 65 GLU HG3 H -9.457 -4.057 -8.975 1.00 . A A . 65 GLU HG3 1 1 19 18627 1 1 65 GLU N N -10.436 -2.558 -5.122 1.00 . A A . 65 GLU N 1 1 19 18628 1 1 65 GLU O O -9.640 -1.097 -8.127 1.00 . A A . 65 GLU O 1 1 19 18629 1 1 65 GLU OE1 O -6.971 -3.565 -8.472 1.00 . A A . 65 GLU OE1 1 1 19 18630 1 1 65 GLU OE2 O -7.069 -5.286 -7.017 1.00 . A A . 65 GLU OE2 1 1 19 18631 1 1 66 ILE C C -12.729 0.088 -8.345 1.00 . A A . 66 ILE C 1 1 19 18632 1 1 66 ILE CA C -12.342 -1.246 -8.948 1.00 . A A . 66 ILE CA 1 1 19 18633 1 1 66 ILE CB C -13.530 -1.977 -9.585 1.00 . A A . 66 ILE CB 1 1 19 18634 1 1 66 ILE CD1 C -14.209 -4.171 -10.734 1.00 . A A . 66 ILE CD1 1 1 19 18635 1 1 66 ILE CG1 C -13.054 -3.283 -10.259 1.00 . A A . 66 ILE CG1 1 1 19 18636 1 1 66 ILE CG2 C -14.205 -1.052 -10.619 1.00 . A A . 66 ILE CG2 1 1 19 18637 1 1 66 ILE H H -12.268 -2.591 -7.321 1.00 . A A . 66 ILE H 1 1 19 18638 1 1 66 ILE HA H -11.625 -1.035 -9.723 1.00 . A A . 66 ILE HA 1 1 19 18639 1 1 66 ILE HB H -14.272 -2.244 -8.802 1.00 . A A . 66 ILE HB 1 1 19 18640 1 1 66 ILE HD11 H -14.822 -3.662 -11.509 1.00 . A A . 66 ILE HD11 1 1 19 18641 1 1 66 ILE HD12 H -14.875 -4.433 -9.882 1.00 . A A . 66 ILE HD12 1 1 19 18642 1 1 66 ILE HD13 H -13.814 -5.110 -11.178 1.00 . A A . 66 ILE HD13 1 1 19 18643 1 1 66 ILE HG12 H -12.403 -3.030 -11.122 1.00 . A A . 66 ILE HG12 1 1 19 18644 1 1 66 ILE HG13 H -12.435 -3.882 -9.557 1.00 . A A . 66 ILE HG13 1 1 19 18645 1 1 66 ILE HG21 H -14.618 -0.134 -10.153 1.00 . A A . 66 ILE HG21 1 1 19 18646 1 1 66 ILE HG22 H -15.049 -1.570 -11.117 1.00 . A A . 66 ILE HG22 1 1 19 18647 1 1 66 ILE HG23 H -13.474 -0.747 -11.398 1.00 . A A . 66 ILE HG23 1 1 19 18648 1 1 66 ILE N N -11.685 -2.018 -7.902 1.00 . A A . 66 ILE N 1 1 19 18649 1 1 66 ILE O O -12.147 1.123 -8.634 1.00 . A A . 66 ILE O 1 1 19 18650 1 1 67 GLU C C -13.567 0.234 -4.958 1.00 . A A . 67 GLU C 1 1 19 18651 1 1 67 GLU CA C -13.678 1.028 -6.279 1.00 . A A . 67 GLU CA 1 1 19 18652 1 1 67 GLU CB C -15.025 1.780 -6.327 1.00 . A A . 67 GLU CB 1 1 19 18653 1 1 67 GLU CD C -16.568 3.135 -7.805 1.00 . A A . 67 GLU CD 1 1 19 18654 1 1 67 GLU CG C -15.136 2.691 -7.569 1.00 . A A . 67 GLU CG 1 1 19 18655 1 1 67 GLU H H -13.967 -0.831 -6.972 1.00 . A A . 67 GLU H 1 1 19 18656 1 1 67 GLU HA H -12.838 1.709 -6.326 1.00 . A A . 67 GLU HA 1 1 19 18657 1 1 67 GLU HB2 H -15.835 1.015 -6.340 1.00 . A A . 67 GLU HB2 1 1 19 18658 1 1 67 GLU HB3 H -15.141 2.391 -5.405 1.00 . A A . 67 GLU HB3 1 1 19 18659 1 1 67 GLU HE2 H -18.206 2.533 -8.576 1.00 . A A . 67 GLU HE2 1 1 19 18660 1 1 67 GLU HG2 H -14.496 3.587 -7.444 1.00 . A A . 67 GLU HG2 1 1 19 18661 1 1 67 GLU HG3 H -14.790 2.143 -8.471 1.00 . A A . 67 GLU HG3 1 1 19 18662 1 1 67 GLU N N -13.591 0.028 -7.315 1.00 . A A . 67 GLU N 1 1 19 18663 1 1 67 GLU O O -13.753 -1.019 -5.015 1.00 . A A . 67 GLU O 1 1 19 18664 1 1 67 GLU OXT O -13.268 0.852 -3.897 1.00 . A A . 67 GLU OXT 1 1 19 18665 1 1 67 GLU OE1 O -17.071 4.197 -7.488 1.00 . A A . 67 GLU OE1 1 1 19 18666 1 1 67 GLU OE2 O -17.321 2.187 -8.467 1.00 . A A . 67 GLU OE2 1 1 19 18667 2 2 1 CL CL CL 6.841 -2.315 9.373 1.00 . B A . 68 CL CL 1 1 19 18668 3 2 1 CL CL CL -5.505 11.162 8.508 1.00 . C A . 69 CL CL 1 1 19 18669 4 2 1 CL CL CL -7.687 12.316 -2.808 1.00 . D A . 70 CL CL 1 1 19 18670 5 2 1 CL CL CL -6.552 -5.427 13.284 1.00 . E A . 71 CL CL 1 1 19 18671 6 2 1 CL CL CL 1.142 11.297 -2.298 1.00 . F A . 72 CL CL 1 1 19 18672 7 2 1 CL CL CL 11.128 0.553 5.990 1.00 . G A . 73 CL CL 1 1 19 18673 8 2 1 CL CL CL -2.102 -13.314 3.527 1.00 . H A . 74 CL CL 1 1 19 18674 9 2 1 CL CL CL 9.798 -7.387 -1.141 1.00 . I A . 75 CL CL 1 1 19 18675 10 2 1 CL CL CL 13.509 7.183 2.056 1.00 . J A . 76 CL CL 1 1 19 18676 11 2 1 CL CL CL 15.361 7.808 -7.778 1.00 . K A . 77 CL CL 1 1 19 18677 12 2 1 CL CL CL -4.937 4.142 14.890 1.00 . L A . 78 CL CL 1 1 20 18678 1 1 1 GLY C C -1.647 -17.761 10.559 1.00 . A A . 1 GLY C 1 1 20 18679 1 1 1 GLY CA C -2.765 -18.668 10.186 1.00 . A A . 1 GLY CA 1 1 20 18680 1 1 1 GLY H1 H -3.618 -20.482 10.728 1.00 . A A . 1 GLY H1 1 1 20 18681 1 1 1 GLY H2 H -2.926 -19.628 12.024 1.00 . A A . 1 GLY H2 1 1 20 18682 1 1 1 GLY H3 H -1.929 -20.431 10.908 1.00 . A A . 1 GLY H3 1 1 20 18683 1 1 1 GLY HA2 H -2.604 -18.992 9.170 1.00 . A A . 1 GLY HA2 1 1 20 18684 1 1 1 GLY HA3 H -3.696 -18.148 10.334 1.00 . A A . 1 GLY HA3 1 1 20 18685 1 1 1 GLY N N -2.812 -19.893 11.025 1.00 . A A . 1 GLY N 1 1 20 18686 1 1 1 GLY O O -0.771 -18.101 11.351 1.00 . A A . 1 GLY O 1 1 20 18687 1 1 2 ASP C C -1.195 -14.219 9.894 1.00 . A A . 2 ASP C 1 1 20 18688 1 1 2 ASP CA C -0.598 -15.569 10.232 1.00 . A A . 2 ASP CA 1 1 20 18689 1 1 2 ASP CB C 0.629 -15.742 9.293 1.00 . A A . 2 ASP CB 1 1 20 18690 1 1 2 ASP CG C 1.410 -16.986 9.645 1.00 . A A . 2 ASP CG 1 1 20 18691 1 1 2 ASP H H -2.391 -16.279 9.381 1.00 . A A . 2 ASP H 1 1 20 18692 1 1 2 ASP HA H -0.318 -15.565 11.281 1.00 . A A . 2 ASP HA 1 1 20 18693 1 1 2 ASP HB2 H 0.314 -15.789 8.229 1.00 . A A . 2 ASP HB2 1 1 20 18694 1 1 2 ASP HB3 H 1.321 -14.881 9.415 1.00 . A A . 2 ASP HB3 1 1 20 18695 1 1 2 ASP HD2 H 1.685 -18.796 9.105 1.00 . A A . 2 ASP HD2 1 1 20 18696 1 1 2 ASP N N -1.642 -16.545 9.999 1.00 . A A . 2 ASP N 1 1 20 18697 1 1 2 ASP O O -1.661 -13.972 8.781 1.00 . A A . 2 ASP O 1 1 20 18698 1 1 2 ASP OD1 O 2.196 -17.086 10.567 1.00 . A A . 2 ASP OD1 1 1 20 18699 1 1 2 ASP OD2 O 1.153 -18.039 8.807 1.00 . A A . 2 ASP OD2 1 1 20 18700 1 1 3 ASP C C -1.017 -11.012 11.571 1.00 . A A . 3 ASP C 1 1 20 18701 1 1 3 ASP CA C -1.661 -11.951 10.582 1.00 . A A . 3 ASP CA 1 1 20 18702 1 1 3 ASP CB C -3.208 -11.870 10.571 1.00 . A A . 3 ASP CB 1 1 20 18703 1 1 3 ASP CG C -3.656 -11.145 9.322 1.00 . A A . 3 ASP CG 1 1 20 18704 1 1 3 ASP H H -0.876 -13.452 11.788 1.00 . A A . 3 ASP H 1 1 20 18705 1 1 3 ASP HA H -1.230 -11.669 9.630 1.00 . A A . 3 ASP HA 1 1 20 18706 1 1 3 ASP HB2 H -3.620 -12.898 10.553 1.00 . A A . 3 ASP HB2 1 1 20 18707 1 1 3 ASP HB3 H -3.621 -11.364 11.465 1.00 . A A . 3 ASP HB3 1 1 20 18708 1 1 3 ASP HD2 H -2.898 -12.691 8.389 1.00 . A A . 3 ASP HD2 1 1 20 18709 1 1 3 ASP N N -1.211 -13.283 10.853 1.00 . A A . 3 ASP N 1 1 20 18710 1 1 3 ASP O O -1.635 -10.525 12.511 1.00 . A A . 3 ASP O 1 1 20 18711 1 1 3 ASP OD1 O -4.193 -10.056 9.269 1.00 . A A . 3 ASP OD1 1 1 20 18712 1 1 3 ASP OD2 O -3.321 -11.843 8.184 1.00 . A A . 3 ASP OD2 1 1 20 18713 1 1 4 VAL C C 1.549 -8.654 11.455 1.00 . A A . 4 VAL C 1 1 20 18714 1 1 4 VAL CA C 1.106 -9.904 12.189 1.00 . A A . 4 VAL CA 1 1 20 18715 1 1 4 VAL CB C 2.218 -10.687 12.895 1.00 . A A . 4 VAL CB 1 1 20 18716 1 1 4 VAL CG1 C 3.189 -11.467 11.986 1.00 . A A . 4 VAL CG1 1 1 20 18717 1 1 4 VAL CG2 C 2.971 -9.784 13.893 1.00 . A A . 4 VAL CG2 1 1 20 18718 1 1 4 VAL H H 0.723 -11.196 10.573 1.00 . A A . 4 VAL H 1 1 20 18719 1 1 4 VAL HA H 0.491 -9.520 12.987 1.00 . A A . 4 VAL HA 1 1 20 18720 1 1 4 VAL HB H 1.687 -11.479 13.476 1.00 . A A . 4 VAL HB 1 1 20 18721 1 1 4 VAL HG11 H 2.650 -12.140 11.288 1.00 . A A . 4 VAL HG11 1 1 20 18722 1 1 4 VAL HG12 H 3.824 -12.114 12.630 1.00 . A A . 4 VAL HG12 1 1 20 18723 1 1 4 VAL HG13 H 3.877 -10.809 11.423 1.00 . A A . 4 VAL HG13 1 1 20 18724 1 1 4 VAL HG21 H 3.684 -10.391 14.493 1.00 . A A . 4 VAL HG21 1 1 20 18725 1 1 4 VAL HG22 H 2.265 -9.291 14.596 1.00 . A A . 4 VAL HG22 1 1 20 18726 1 1 4 VAL HG23 H 3.551 -8.997 13.370 1.00 . A A . 4 VAL HG23 1 1 20 18727 1 1 4 VAL N N 0.280 -10.754 11.358 1.00 . A A . 4 VAL N 1 1 20 18728 1 1 4 VAL O O 1.084 -7.566 11.786 1.00 . A A . 4 VAL O 1 1 20 18729 1 1 5 LYS C C 2.366 -7.487 8.324 1.00 . A A . 5 LYS C 1 1 20 18730 1 1 5 LYS CA C 2.954 -7.598 9.719 1.00 . A A . 5 LYS CA 1 1 20 18731 1 1 5 LYS CB C 4.491 -7.719 9.679 1.00 . A A . 5 LYS CB 1 1 20 18732 1 1 5 LYS CD C 6.602 -7.796 11.173 1.00 . A A . 5 LYS CD 1 1 20 18733 1 1 5 LYS CE C 7.099 -8.213 12.563 1.00 . A A . 5 LYS CE 1 1 20 18734 1 1 5 LYS CG C 5.075 -7.874 11.092 1.00 . A A . 5 LYS CG 1 1 20 18735 1 1 5 LYS H H 2.773 -9.613 10.111 1.00 . A A . 5 LYS H 1 1 20 18736 1 1 5 LYS HA H 2.680 -6.693 10.233 1.00 . A A . 5 LYS HA 1 1 20 18737 1 1 5 LYS HB2 H 4.764 -8.610 9.076 1.00 . A A . 5 LYS HB2 1 1 20 18738 1 1 5 LYS HB3 H 4.923 -6.827 9.182 1.00 . A A . 5 LYS HB3 1 1 20 18739 1 1 5 LYS HD2 H 7.049 -8.472 10.410 1.00 . A A . 5 LYS HD2 1 1 20 18740 1 1 5 LYS HD3 H 6.930 -6.757 10.947 1.00 . A A . 5 LYS HD3 1 1 20 18741 1 1 5 LYS HE2 H 6.621 -7.593 13.351 1.00 . A A . 5 LYS HE2 1 1 20 18742 1 1 5 LYS HE3 H 6.861 -9.283 12.750 1.00 . A A . 5 LYS HE3 1 1 20 18743 1 1 5 LYS HG2 H 4.635 -7.095 11.757 1.00 . A A . 5 LYS HG2 1 1 20 18744 1 1 5 LYS HG3 H 4.766 -8.862 11.497 1.00 . A A . 5 LYS HG3 1 1 20 18745 1 1 5 LYS HZ1 H 8.872 -8.406 13.611 1.00 . A A . 5 LYS HZ1 1 1 20 18746 1 1 5 LYS HZ2 H 8.808 -7.040 12.606 1.00 . A A . 5 LYS HZ2 1 1 20 18747 1 1 5 LYS HZ3 H 9.037 -8.582 11.929 1.00 . A A . 5 LYS HZ3 1 1 20 18748 1 1 5 LYS N N 2.412 -8.741 10.425 1.00 . A A . 5 LYS N 1 1 20 18749 1 1 5 LYS NZ N 8.562 -8.048 12.685 1.00 . A A . 5 LYS NZ 1 1 20 18750 1 1 5 LYS O O 2.928 -6.883 7.416 1.00 . A A . 5 LYS O 1 1 20 18751 1 1 6 SER C C 0.043 -6.710 6.385 1.00 . A A . 6 SER C 1 1 20 18752 1 1 6 SER CA C 0.402 -8.087 6.916 1.00 . A A . 6 SER CA 1 1 20 18753 1 1 6 SER CB C -0.950 -8.840 7.039 1.00 . A A . 6 SER CB 1 1 20 18754 1 1 6 SER H H 0.801 -8.572 8.929 1.00 . A A . 6 SER H 1 1 20 18755 1 1 6 SER HA H 1.003 -8.585 6.169 1.00 . A A . 6 SER HA 1 1 20 18756 1 1 6 SER HB2 H -1.591 -8.346 7.803 1.00 . A A . 6 SER HB2 1 1 20 18757 1 1 6 SER HB3 H -1.480 -8.800 6.060 1.00 . A A . 6 SER HB3 1 1 20 18758 1 1 6 SER HG H -1.596 -10.648 7.139 1.00 . A A . 6 SER HG 1 1 20 18759 1 1 6 SER N N 1.176 -8.083 8.149 1.00 . A A . 6 SER N 1 1 20 18760 1 1 6 SER O O -0.467 -5.857 7.107 1.00 . A A . 6 SER O 1 1 20 18761 1 1 6 SER OG O -0.770 -10.207 7.410 1.00 . A A . 6 SER OG 1 1 20 18762 1 1 7 ALA C C -0.919 -5.575 3.214 1.00 . A A . 7 ALA C 1 1 20 18763 1 1 7 ALA CA C -0.066 -5.249 4.419 1.00 . A A . 7 ALA CA 1 1 20 18764 1 1 7 ALA CB C 1.249 -4.571 3.986 1.00 . A A . 7 ALA CB 1 1 20 18765 1 1 7 ALA H H 0.629 -7.181 4.478 1.00 . A A . 7 ALA H 1 1 20 18766 1 1 7 ALA HA H -0.652 -4.595 5.053 1.00 . A A . 7 ALA HA 1 1 20 18767 1 1 7 ALA HB1 H 1.858 -4.347 4.891 1.00 . A A . 7 ALA HB1 1 1 20 18768 1 1 7 ALA HB2 H 1.064 -3.620 3.444 1.00 . A A . 7 ALA HB2 1 1 20 18769 1 1 7 ALA HB3 H 1.840 -5.262 3.344 1.00 . A A . 7 ALA HB3 1 1 20 18770 1 1 7 ALA N N 0.265 -6.480 5.083 1.00 . A A . 7 ALA N 1 1 20 18771 1 1 7 ALA O O -0.957 -6.705 2.739 1.00 . A A . 7 ALA O 1 1 20 18772 1 1 8 CYS C C -1.966 -3.607 0.496 1.00 . A A . 8 CYS C 1 1 20 18773 1 1 8 CYS CA C -2.381 -4.707 1.451 1.00 . A A . 8 CYS CA 1 1 20 18774 1 1 8 CYS CB C -3.907 -4.664 1.675 1.00 . A A . 8 CYS CB 1 1 20 18775 1 1 8 CYS H H -1.629 -3.679 3.127 1.00 . A A . 8 CYS H 1 1 20 18776 1 1 8 CYS HA H -2.149 -5.653 0.981 1.00 . A A . 8 CYS HA 1 1 20 18777 1 1 8 CYS HB2 H -4.145 -5.496 2.376 1.00 . A A . 8 CYS HB2 1 1 20 18778 1 1 8 CYS HB3 H -4.191 -3.717 2.177 1.00 . A A . 8 CYS HB3 1 1 20 18779 1 1 8 CYS N N -1.642 -4.576 2.689 1.00 . A A . 8 CYS N 1 1 20 18780 1 1 8 CYS O O -2.045 -2.419 0.793 1.00 . A A . 8 CYS O 1 1 20 18781 1 1 8 CYS SG S -4.867 -4.893 0.144 1.00 . A A . 8 CYS SG 1 1 20 18782 1 1 9 CYS C C -1.591 -3.396 -3.059 1.00 . A A . 9 CYS C 1 1 20 18783 1 1 9 CYS CA C -1.053 -3.051 -1.691 1.00 . A A . 9 CYS CA 1 1 20 18784 1 1 9 CYS CB C 0.488 -3.141 -1.769 1.00 . A A . 9 CYS CB 1 1 20 18785 1 1 9 CYS H H -1.443 -4.963 -0.978 1.00 . A A . 9 CYS H 1 1 20 18786 1 1 9 CYS HA H -1.355 -2.040 -1.450 1.00 . A A . 9 CYS HA 1 1 20 18787 1 1 9 CYS HB2 H 0.753 -4.218 -1.865 1.00 . A A . 9 CYS HB2 1 1 20 18788 1 1 9 CYS HB3 H 0.866 -2.616 -2.673 1.00 . A A . 9 CYS HB3 1 1 20 18789 1 1 9 CYS N N -1.530 -3.997 -0.715 1.00 . A A . 9 CYS N 1 1 20 18790 1 1 9 CYS O O -1.218 -4.395 -3.657 1.00 . A A . 9 CYS O 1 1 20 18791 1 1 9 CYS SG S 1.296 -2.472 -0.285 1.00 . A A . 9 CYS SG 1 1 20 18792 1 1 10 ASP C C -1.969 -2.544 -6.060 1.00 . A A . 10 ASP C 1 1 20 18793 1 1 10 ASP CA C -3.003 -2.796 -4.965 1.00 . A A . 10 ASP CA 1 1 20 18794 1 1 10 ASP CB C -4.269 -1.944 -5.204 1.00 . A A . 10 ASP CB 1 1 20 18795 1 1 10 ASP CG C -5.504 -2.813 -5.034 1.00 . A A . 10 ASP CG 1 1 20 18796 1 1 10 ASP H H -2.813 -1.741 -3.158 1.00 . A A . 10 ASP H 1 1 20 18797 1 1 10 ASP HA H -3.234 -3.850 -5.044 1.00 . A A . 10 ASP HA 1 1 20 18798 1 1 10 ASP HB2 H -4.297 -1.057 -4.557 1.00 . A A . 10 ASP HB2 1 1 20 18799 1 1 10 ASP HB3 H -4.294 -1.555 -6.238 1.00 . A A . 10 ASP HB3 1 1 20 18800 1 1 10 ASP HD2 H -5.347 -2.567 -3.083 1.00 . A A . 10 ASP HD2 1 1 20 18801 1 1 10 ASP N N -2.480 -2.553 -3.629 1.00 . A A . 10 ASP N 1 1 20 18802 1 1 10 ASP O O -2.010 -3.162 -7.119 1.00 . A A . 10 ASP O 1 1 20 18803 1 1 10 ASP OD1 O -6.163 -3.278 -5.943 1.00 . A A . 10 ASP OD1 1 1 20 18804 1 1 10 ASP OD2 O -5.779 -3.129 -3.721 1.00 . A A . 10 ASP OD2 1 1 20 18805 1 1 11 THR C C 1.249 -0.852 -5.772 1.00 . A A . 11 THR C 1 1 20 18806 1 1 11 THR CA C 0.127 -1.361 -6.637 1.00 . A A . 11 THR CA 1 1 20 18807 1 1 11 THR CB C -0.143 -0.242 -7.628 1.00 . A A . 11 THR CB 1 1 20 18808 1 1 11 THR CG2 C 1.087 -0.003 -8.509 1.00 . A A . 11 THR CG2 1 1 20 18809 1 1 11 THR H H -1.049 -1.171 -4.917 1.00 . A A . 11 THR H 1 1 20 18810 1 1 11 THR HA H 0.465 -2.251 -7.150 1.00 . A A . 11 THR HA 1 1 20 18811 1 1 11 THR HB H -0.406 0.693 -7.083 1.00 . A A . 11 THR HB 1 1 20 18812 1 1 11 THR HG1 H -1.389 0.226 -9.029 1.00 . A A . 11 THR HG1 1 1 20 18813 1 1 11 THR HG21 H 1.959 0.360 -7.927 1.00 . A A . 11 THR HG21 1 1 20 18814 1 1 11 THR HG22 H 0.866 0.779 -9.265 1.00 . A A . 11 THR HG22 1 1 20 18815 1 1 11 THR HG23 H 1.366 -0.940 -9.037 1.00 . A A . 11 THR HG23 1 1 20 18816 1 1 11 THR N N -0.969 -1.700 -5.749 1.00 . A A . 11 THR N 1 1 20 18817 1 1 11 THR O O 1.254 0.262 -5.240 1.00 . A A . 11 THR O 1 1 20 18818 1 1 11 THR OG1 O -1.207 -0.577 -8.499 1.00 . A A . 11 THR OG1 1 1 20 18819 1 1 12 CYS C C 4.448 -0.795 -6.026 1.00 . A A . 12 CYS C 1 1 20 18820 1 1 12 CYS CA C 3.530 -1.446 -5.009 1.00 . A A . 12 CYS CA 1 1 20 18821 1 1 12 CYS CB C 4.168 -2.743 -4.449 1.00 . A A . 12 CYS CB 1 1 20 18822 1 1 12 CYS H H 2.154 -2.619 -6.046 1.00 . A A . 12 CYS H 1 1 20 18823 1 1 12 CYS HA H 3.392 -0.751 -4.200 1.00 . A A . 12 CYS HA 1 1 20 18824 1 1 12 CYS HB2 H 3.448 -3.187 -3.722 1.00 . A A . 12 CYS HB2 1 1 20 18825 1 1 12 CYS HB3 H 4.319 -3.461 -5.292 1.00 . A A . 12 CYS HB3 1 1 20 18826 1 1 12 CYS N N 2.250 -1.729 -5.613 1.00 . A A . 12 CYS N 1 1 20 18827 1 1 12 CYS O O 4.834 -1.410 -7.019 1.00 . A A . 12 CYS O 1 1 20 18828 1 1 12 CYS SG S 5.772 -2.474 -3.636 1.00 . A A . 12 CYS SG 1 1 20 18829 1 1 13 LEU C C 7.197 0.787 -5.726 1.00 . A A . 13 LEU C 1 1 20 18830 1 1 13 LEU CA C 5.924 1.091 -6.484 1.00 . A A . 13 LEU CA 1 1 20 18831 1 1 13 LEU CB C 5.681 2.607 -6.633 1.00 . A A . 13 LEU CB 1 1 20 18832 1 1 13 LEU CD1 C 6.045 4.515 -8.211 1.00 . A A . 13 LEU CD1 1 1 20 18833 1 1 13 LEU CD2 C 7.797 4.055 -6.494 1.00 . A A . 13 LEU CD2 1 1 20 18834 1 1 13 LEU CG C 6.742 3.413 -7.409 1.00 . A A . 13 LEU CG 1 1 20 18835 1 1 13 LEU H H 4.522 0.992 -5.000 1.00 . A A . 13 LEU H 1 1 20 18836 1 1 13 LEU HA H 6.040 0.681 -7.479 1.00 . A A . 13 LEU HA 1 1 20 18837 1 1 13 LEU HB2 H 4.731 2.687 -7.204 1.00 . A A . 13 LEU HB2 1 1 20 18838 1 1 13 LEU HB3 H 5.509 3.068 -5.639 1.00 . A A . 13 LEU HB3 1 1 20 18839 1 1 13 LEU HD11 H 5.263 4.076 -8.868 1.00 . A A . 13 LEU HD11 1 1 20 18840 1 1 13 LEU HD12 H 6.776 5.065 -8.840 1.00 . A A . 13 LEU HD12 1 1 20 18841 1 1 13 LEU HD13 H 5.558 5.237 -7.524 1.00 . A A . 13 LEU HD13 1 1 20 18842 1 1 13 LEU HD21 H 8.522 4.636 -7.102 1.00 . A A . 13 LEU HD21 1 1 20 18843 1 1 13 LEU HD22 H 8.354 3.297 -5.911 1.00 . A A . 13 LEU HD22 1 1 20 18844 1 1 13 LEU HD23 H 7.304 4.754 -5.784 1.00 . A A . 13 LEU HD23 1 1 20 18845 1 1 13 LEU HG H 7.247 2.735 -8.138 1.00 . A A . 13 LEU HG 1 1 20 18846 1 1 13 LEU N N 4.801 0.482 -5.817 1.00 . A A . 13 LEU N 1 1 20 18847 1 1 13 LEU O O 7.235 0.778 -4.495 1.00 . A A . 13 LEU O 1 1 20 18848 1 1 14 CYS C C 10.560 1.090 -6.865 1.00 . A A . 14 CYS C 1 1 20 18849 1 1 14 CYS CA C 9.603 0.417 -5.931 1.00 . A A . 14 CYS CA 1 1 20 18850 1 1 14 CYS CB C 10.002 -1.073 -5.818 1.00 . A A . 14 CYS CB 1 1 20 18851 1 1 14 CYS H H 8.221 0.500 -7.455 1.00 . A A . 14 CYS H 1 1 20 18852 1 1 14 CYS HA H 9.700 0.917 -4.989 1.00 . A A . 14 CYS HA 1 1 20 18853 1 1 14 CYS HB2 H 9.681 -1.583 -6.750 1.00 . A A . 14 CYS HB2 1 1 20 18854 1 1 14 CYS HB3 H 11.105 -1.168 -5.782 1.00 . A A . 14 CYS HB3 1 1 20 18855 1 1 14 CYS N N 8.293 0.620 -6.466 1.00 . A A . 14 CYS N 1 1 20 18856 1 1 14 CYS O O 10.362 1.184 -8.078 1.00 . A A . 14 CYS O 1 1 20 18857 1 1 14 CYS SG S 9.313 -1.932 -4.366 1.00 . A A . 14 CYS SG 1 1 20 18858 1 1 15 THR C C 13.715 1.514 -7.494 1.00 . A A . 15 THR C 1 1 20 18859 1 1 15 THR CA C 12.615 2.406 -6.985 1.00 . A A . 15 THR CA 1 1 20 18860 1 1 15 THR CB C 13.245 3.521 -6.161 1.00 . A A . 15 THR CB 1 1 20 18861 1 1 15 THR CG2 C 12.141 4.489 -5.721 1.00 . A A . 15 THR CG2 1 1 20 18862 1 1 15 THR H H 11.699 1.631 -5.264 1.00 . A A . 15 THR H 1 1 20 18863 1 1 15 THR HA H 12.161 2.888 -7.840 1.00 . A A . 15 THR HA 1 1 20 18864 1 1 15 THR HB H 13.976 4.068 -6.805 1.00 . A A . 15 THR HB 1 1 20 18865 1 1 15 THR HG1 H 14.118 3.857 -4.497 1.00 . A A . 15 THR HG1 1 1 20 18866 1 1 15 THR HG21 H 11.406 3.991 -5.056 1.00 . A A . 15 THR HG21 1 1 20 18867 1 1 15 THR HG22 H 11.597 4.870 -6.613 1.00 . A A . 15 THR HG22 1 1 20 18868 1 1 15 THR HG23 H 12.569 5.356 -5.177 1.00 . A A . 15 THR HG23 1 1 20 18869 1 1 15 THR N N 11.607 1.660 -6.265 1.00 . A A . 15 THR N 1 1 20 18870 1 1 15 THR O O 14.056 0.488 -6.911 1.00 . A A . 15 THR O 1 1 20 18871 1 1 15 THR OG1 O 13.885 3.053 -4.975 1.00 . A A . 15 THR OG1 1 1 20 18872 1 1 16 ARG C C 16.799 1.887 -8.418 1.00 . A A . 16 ARG C 1 1 20 18873 1 1 16 ARG CA C 15.564 1.347 -9.130 1.00 . A A . 16 ARG CA 1 1 20 18874 1 1 16 ARG CB C 15.654 1.594 -10.654 1.00 . A A . 16 ARG CB 1 1 20 18875 1 1 16 ARG CD C 14.521 1.212 -12.935 1.00 . A A . 16 ARG CD 1 1 20 18876 1 1 16 ARG CG C 14.478 0.969 -11.421 1.00 . A A . 16 ARG CG 1 1 20 18877 1 1 16 ARG CZ C 12.086 1.085 -13.584 1.00 . A A . 16 ARG CZ 1 1 20 18878 1 1 16 ARG H H 14.023 2.770 -9.059 1.00 . A A . 16 ARG H 1 1 20 18879 1 1 16 ARG HA H 15.540 0.281 -8.946 1.00 . A A . 16 ARG HA 1 1 20 18880 1 1 16 ARG HB2 H 15.681 2.685 -10.860 1.00 . A A . 16 ARG HB2 1 1 20 18881 1 1 16 ARG HB3 H 16.591 1.143 -11.050 1.00 . A A . 16 ARG HB3 1 1 20 18882 1 1 16 ARG HD2 H 14.495 2.296 -13.178 1.00 . A A . 16 ARG HD2 1 1 20 18883 1 1 16 ARG HD3 H 15.434 0.760 -13.376 1.00 . A A . 16 ARG HD3 1 1 20 18884 1 1 16 ARG HE H 13.426 -0.436 -13.800 1.00 . A A . 16 ARG HE 1 1 20 18885 1 1 16 ARG HG2 H 14.501 -0.127 -11.230 1.00 . A A . 16 ARG HG2 1 1 20 18886 1 1 16 ARG HG3 H 13.518 1.366 -11.021 1.00 . A A . 16 ARG HG3 1 1 20 18887 1 1 16 ARG HH11 H 12.647 2.970 -12.995 1.00 . A A . 16 ARG HH11 1 1 20 18888 1 1 16 ARG HH12 H 10.955 2.776 -13.326 1.00 . A A . 16 ARG HH12 1 1 20 18889 1 1 16 ARG HH21 H 11.173 -0.643 -14.213 1.00 . A A . 16 ARG HH21 1 1 20 18890 1 1 16 ARG HH22 H 10.110 0.715 -14.021 1.00 . A A . 16 ARG HH22 1 1 20 18891 1 1 16 ARG N N 14.341 1.930 -8.605 1.00 . A A . 16 ARG N 1 1 20 18892 1 1 16 ARG NE N 13.331 0.524 -13.538 1.00 . A A . 16 ARG NE 1 1 20 18893 1 1 16 ARG NH1 N 11.876 2.392 -13.259 1.00 . A A . 16 ARG NH1 1 1 20 18894 1 1 16 ARG NH2 N 11.026 0.316 -13.969 1.00 . A A . 16 ARG NH2 1 1 20 18895 1 1 16 ARG O O 17.928 1.730 -8.873 1.00 . A A . 16 ARG O 1 1 20 18896 1 1 17 SER C C 18.585 2.282 -5.816 1.00 . A A . 17 SER C 1 1 20 18897 1 1 17 SER CA C 17.598 3.241 -6.466 1.00 . A A . 17 SER CA 1 1 20 18898 1 1 17 SER CB C 16.985 4.180 -5.380 1.00 . A A . 17 SER CB 1 1 20 18899 1 1 17 SER H H 15.651 2.595 -6.964 1.00 . A A . 17 SER H 1 1 20 18900 1 1 17 SER HA H 18.177 3.870 -7.124 1.00 . A A . 17 SER HA 1 1 20 18901 1 1 17 SER HB2 H 16.147 4.749 -5.832 1.00 . A A . 17 SER HB2 1 1 20 18902 1 1 17 SER HB3 H 16.583 3.573 -4.542 1.00 . A A . 17 SER HB3 1 1 20 18903 1 1 17 SER HG H 17.502 5.515 -4.066 1.00 . A A . 17 SER HG 1 1 20 18904 1 1 17 SER N N 16.586 2.598 -7.295 1.00 . A A . 17 SER N 1 1 20 18905 1 1 17 SER O O 18.568 1.062 -5.983 1.00 . A A . 17 SER O 1 1 20 18906 1 1 17 SER OG O 17.906 5.146 -4.870 1.00 . A A . 17 SER OG 1 1 20 18907 1 1 18 GLN C C 20.987 2.896 -3.135 1.00 . A A . 18 GLN C 1 1 20 18908 1 1 18 GLN CA C 20.572 2.157 -4.404 1.00 . A A . 18 GLN CA 1 1 20 18909 1 1 18 GLN CB C 21.739 2.137 -5.414 1.00 . A A . 18 GLN CB 1 1 20 18910 1 1 18 GLN CD C 24.132 1.444 -5.823 1.00 . A A . 18 GLN CD 1 1 20 18911 1 1 18 GLN CG C 22.893 1.222 -4.970 1.00 . A A . 18 GLN CG 1 1 20 18912 1 1 18 GLN H H 19.405 3.837 -4.874 1.00 . A A . 18 GLN H 1 1 20 18913 1 1 18 GLN HA H 20.279 1.151 -4.160 1.00 . A A . 18 GLN HA 1 1 20 18914 1 1 18 GLN HB2 H 21.335 1.780 -6.387 1.00 . A A . 18 GLN HB2 1 1 20 18915 1 1 18 GLN HB3 H 22.087 3.179 -5.581 1.00 . A A . 18 GLN HB3 1 1 20 18916 1 1 18 GLN HE21 H 25.177 2.058 -4.195 1.00 . A A . 18 GLN HE21 1 1 20 18917 1 1 18 GLN HE22 H 26.053 2.095 -5.709 1.00 . A A . 18 GLN HE22 1 1 20 18918 1 1 18 GLN HG2 H 23.132 1.438 -3.910 1.00 . A A . 18 GLN HG2 1 1 20 18919 1 1 18 GLN HG3 H 22.586 0.158 -5.048 1.00 . A A . 18 GLN HG3 1 1 20 18920 1 1 18 GLN N N 19.471 2.846 -5.001 1.00 . A A . 18 GLN N 1 1 20 18921 1 1 18 GLN NE2 N 25.209 1.956 -5.193 1.00 . A A . 18 GLN NE2 1 1 20 18922 1 1 18 GLN O O 21.699 3.900 -3.216 1.00 . A A . 18 GLN O 1 1 20 18923 1 1 18 GLN OE1 O 24.155 1.180 -7.030 1.00 . A A . 18 GLN OE1 1 1 20 18924 1 1 19 PRO C C 18.252 1.630 -2.023 1.00 . A A . 19 PRO C 1 1 20 18925 1 1 19 PRO CA C 19.704 1.355 -1.632 1.00 . A A . 19 PRO CA 1 1 20 18926 1 1 19 PRO CB C 19.862 1.209 -0.109 1.00 . A A . 19 PRO CB 1 1 20 18927 1 1 19 PRO CD C 20.983 3.220 -0.740 1.00 . A A . 19 PRO CD 1 1 20 18928 1 1 19 PRO CG C 20.139 2.627 0.384 1.00 . A A . 19 PRO CG 1 1 20 18929 1 1 19 PRO HA H 20.047 0.480 -2.164 1.00 . A A . 19 PRO HA 1 1 20 18930 1 1 19 PRO HB2 H 18.975 0.751 0.386 1.00 . A A . 19 PRO HB2 1 1 20 18931 1 1 19 PRO HB3 H 20.773 0.593 0.091 1.00 . A A . 19 PRO HB3 1 1 20 18932 1 1 19 PRO HD2 H 20.800 4.312 -0.854 1.00 . A A . 19 PRO HD2 1 1 20 18933 1 1 19 PRO HD3 H 22.065 3.038 -0.557 1.00 . A A . 19 PRO HD3 1 1 20 18934 1 1 19 PRO HG2 H 19.184 3.186 0.482 1.00 . A A . 19 PRO HG2 1 1 20 18935 1 1 19 PRO HG3 H 20.672 2.632 1.357 1.00 . A A . 19 PRO HG3 1 1 20 18936 1 1 19 PRO N N 20.584 2.483 -1.937 1.00 . A A . 19 PRO N 1 1 20 18937 1 1 19 PRO O O 17.890 2.803 -2.157 1.00 . A A . 19 PRO O 1 1 20 18938 1 1 20 PRO C C 15.087 1.330 -1.797 1.00 . A A . 20 PRO C 1 1 20 18939 1 1 20 PRO CA C 16.081 0.811 -2.812 1.00 . A A . 20 PRO CA 1 1 20 18940 1 1 20 PRO CB C 15.708 -0.605 -3.274 1.00 . A A . 20 PRO CB 1 1 20 18941 1 1 20 PRO CD C 17.717 -0.786 -2.011 1.00 . A A . 20 PRO CD 1 1 20 18942 1 1 20 PRO CG C 16.396 -1.509 -2.257 1.00 . A A . 20 PRO CG 1 1 20 18943 1 1 20 PRO HA H 16.098 1.513 -3.631 1.00 . A A . 20 PRO HA 1 1 20 18944 1 1 20 PRO HB2 H 14.616 -0.790 -3.334 1.00 . A A . 20 PRO HB2 1 1 20 18945 1 1 20 PRO HB3 H 16.156 -0.787 -4.279 1.00 . A A . 20 PRO HB3 1 1 20 18946 1 1 20 PRO HD2 H 18.080 -0.951 -0.971 1.00 . A A . 20 PRO HD2 1 1 20 18947 1 1 20 PRO HD3 H 18.471 -1.127 -2.753 1.00 . A A . 20 PRO HD3 1 1 20 18948 1 1 20 PRO HG2 H 15.798 -1.523 -1.321 1.00 . A A . 20 PRO HG2 1 1 20 18949 1 1 20 PRO HG3 H 16.535 -2.548 -2.621 1.00 . A A . 20 PRO HG3 1 1 20 18950 1 1 20 PRO N N 17.415 0.628 -2.260 1.00 . A A . 20 PRO N 1 1 20 18951 1 1 20 PRO O O 15.381 1.444 -0.604 1.00 . A A . 20 PRO O 1 1 20 18952 1 1 21 THR C C 11.558 2.049 -2.184 1.00 . A A . 21 THR C 1 1 20 18953 1 1 21 THR CA C 12.872 2.372 -1.518 1.00 . A A . 21 THR CA 1 1 20 18954 1 1 21 THR CB C 13.069 3.886 -1.655 1.00 . A A . 21 THR CB 1 1 20 18955 1 1 21 THR CG2 C 12.053 4.707 -0.868 1.00 . A A . 21 THR CG2 1 1 20 18956 1 1 21 THR H H 13.713 1.582 -3.264 1.00 . A A . 21 THR H 1 1 20 18957 1 1 21 THR HA H 12.835 2.039 -0.488 1.00 . A A . 21 THR HA 1 1 20 18958 1 1 21 THR HB H 12.984 4.157 -2.735 1.00 . A A . 21 THR HB 1 1 20 18959 1 1 21 THR HG1 H 14.414 4.033 -0.266 1.00 . A A . 21 THR HG1 1 1 20 18960 1 1 21 THR HG21 H 12.290 5.787 -0.972 1.00 . A A . 21 THR HG21 1 1 20 18961 1 1 21 THR HG22 H 12.080 4.441 0.210 1.00 . A A . 21 THR HG22 1 1 20 18962 1 1 21 THR HG23 H 11.027 4.559 -1.266 1.00 . A A . 21 THR HG23 1 1 20 18963 1 1 21 THR N N 13.874 1.639 -2.273 1.00 . A A . 21 THR N 1 1 20 18964 1 1 21 THR O O 11.483 1.949 -3.408 1.00 . A A . 21 THR O 1 1 20 18965 1 1 21 THR OG1 O 14.350 4.302 -1.204 1.00 . A A . 21 THR OG1 1 1 20 18966 1 1 22 CYS C C 8.084 2.044 -1.180 1.00 . A A . 22 CYS C 1 1 20 18967 1 1 22 CYS CA C 9.212 1.414 -1.962 1.00 . A A . 22 CYS CA 1 1 20 18968 1 1 22 CYS CB C 9.016 -0.133 -1.896 1.00 . A A . 22 CYS CB 1 1 20 18969 1 1 22 CYS H H 10.513 1.948 -0.407 1.00 . A A . 22 CYS H 1 1 20 18970 1 1 22 CYS HA H 9.101 1.780 -2.972 1.00 . A A . 22 CYS HA 1 1 20 18971 1 1 22 CYS HB2 H 9.005 -0.441 -0.834 1.00 . A A . 22 CYS HB2 1 1 20 18972 1 1 22 CYS HB3 H 8.016 -0.411 -2.283 1.00 . A A . 22 CYS HB3 1 1 20 18973 1 1 22 CYS N N 10.477 1.849 -1.411 1.00 . A A . 22 CYS N 1 1 20 18974 1 1 22 CYS O O 8.267 2.591 -0.090 1.00 . A A . 22 CYS O 1 1 20 18975 1 1 22 CYS SG S 10.279 -1.124 -2.765 1.00 . A A . 22 CYS SG 1 1 20 18976 1 1 23 ARG C C 4.562 2.215 -2.150 1.00 . A A . 23 ARG C 1 1 20 18977 1 1 23 ARG CA C 5.713 2.677 -1.283 1.00 . A A . 23 ARG CA 1 1 20 18978 1 1 23 ARG CB C 5.928 4.215 -1.363 1.00 . A A . 23 ARG CB 1 1 20 18979 1 1 23 ARG CD C 3.839 5.440 -2.188 1.00 . A A . 23 ARG CD 1 1 20 18980 1 1 23 ARG CG C 4.756 5.145 -0.994 1.00 . A A . 23 ARG CG 1 1 20 18981 1 1 23 ARG CZ C 3.051 7.826 -2.065 1.00 . A A . 23 ARG CZ 1 1 20 18982 1 1 23 ARG H H 6.772 1.517 -2.646 1.00 . A A . 23 ARG H 1 1 20 18983 1 1 23 ARG HA H 5.503 2.377 -0.271 1.00 . A A . 23 ARG HA 1 1 20 18984 1 1 23 ARG HB2 H 6.746 4.451 -0.653 1.00 . A A . 23 ARG HB2 1 1 20 18985 1 1 23 ARG HB3 H 6.288 4.480 -2.378 1.00 . A A . 23 ARG HB3 1 1 20 18986 1 1 23 ARG HD2 H 4.423 5.760 -3.077 1.00 . A A . 23 ARG HD2 1 1 20 18987 1 1 23 ARG HD3 H 3.251 4.544 -2.457 1.00 . A A . 23 ARG HD3 1 1 20 18988 1 1 23 ARG HE H 1.889 6.201 -1.730 1.00 . A A . 23 ARG HE 1 1 20 18989 1 1 23 ARG HG2 H 4.186 4.736 -0.135 1.00 . A A . 23 ARG HG2 1 1 20 18990 1 1 23 ARG HG3 H 5.197 6.115 -0.660 1.00 . A A . 23 ARG HG3 1 1 20 18991 1 1 23 ARG HH11 H 5.097 7.730 -2.212 1.00 . A A . 23 ARG HH11 1 1 20 18992 1 1 23 ARG HH12 H 4.443 9.310 -2.416 1.00 . A A . 23 ARG HH12 1 1 20 18993 1 1 23 ARG HH21 H 1.060 8.207 -2.031 1.00 . A A . 23 ARG HH21 1 1 20 18994 1 1 23 ARG HH22 H 2.044 9.617 -2.282 1.00 . A A . 23 ARG HH22 1 1 20 18995 1 1 23 ARG N N 6.877 1.972 -1.757 1.00 . A A . 23 ARG N 1 1 20 18996 1 1 23 ARG NE N 2.834 6.492 -1.863 1.00 . A A . 23 ARG NE 1 1 20 18997 1 1 23 ARG NH1 N 4.302 8.334 -2.252 1.00 . A A . 23 ARG NH1 1 1 20 18998 1 1 23 ARG NH2 N 1.958 8.639 -2.098 1.00 . A A . 23 ARG NH2 1 1 20 18999 1 1 23 ARG O O 4.660 2.083 -3.371 1.00 . A A . 23 ARG O 1 1 20 19000 1 1 24 CYS C C 1.360 2.485 -2.694 1.00 . A A . 24 CYS C 1 1 20 19001 1 1 24 CYS CA C 2.267 1.364 -2.223 1.00 . A A . 24 CYS CA 1 1 20 19002 1 1 24 CYS CB C 1.505 0.332 -1.366 1.00 . A A . 24 CYS CB 1 1 20 19003 1 1 24 CYS H H 3.369 1.981 -0.532 1.00 . A A . 24 CYS H 1 1 20 19004 1 1 24 CYS HA H 2.597 0.855 -3.114 1.00 . A A . 24 CYS HA 1 1 20 19005 1 1 24 CYS HB2 H 1.184 0.793 -0.406 1.00 . A A . 24 CYS HB2 1 1 20 19006 1 1 24 CYS HB3 H 0.586 0.007 -1.901 1.00 . A A . 24 CYS HB3 1 1 20 19007 1 1 24 CYS N N 3.425 1.886 -1.520 1.00 . A A . 24 CYS N 1 1 20 19008 1 1 24 CYS O O 0.560 3.032 -1.939 1.00 . A A . 24 CYS O 1 1 20 19009 1 1 24 CYS SG S 2.574 -1.110 -1.049 1.00 . A A . 24 CYS SG 1 1 20 19010 1 1 25 VAL C C -0.577 3.973 -4.693 1.00 . A A . 25 VAL C 1 1 20 19011 1 1 25 VAL CA C 0.926 4.021 -4.613 1.00 . A A . 25 VAL CA 1 1 20 19012 1 1 25 VAL CB C 1.572 4.394 -5.945 1.00 . A A . 25 VAL CB 1 1 20 19013 1 1 25 VAL CG1 C 2.996 4.881 -5.627 1.00 . A A . 25 VAL CG1 1 1 20 19014 1 1 25 VAL CG2 C 1.597 3.255 -6.984 1.00 . A A . 25 VAL CG2 1 1 20 19015 1 1 25 VAL H H 2.048 2.288 -4.596 1.00 . A A . 25 VAL H 1 1 20 19016 1 1 25 VAL HA H 1.110 4.854 -3.955 1.00 . A A . 25 VAL HA 1 1 20 19017 1 1 25 VAL HB H 1.019 5.255 -6.387 1.00 . A A . 25 VAL HB 1 1 20 19018 1 1 25 VAL HG11 H 2.960 5.760 -4.947 1.00 . A A . 25 VAL HG11 1 1 20 19019 1 1 25 VAL HG12 H 3.515 5.183 -6.558 1.00 . A A . 25 VAL HG12 1 1 20 19020 1 1 25 VAL HG13 H 3.581 4.075 -5.135 1.00 . A A . 25 VAL HG13 1 1 20 19021 1 1 25 VAL HG21 H 0.578 2.941 -7.287 1.00 . A A . 25 VAL HG21 1 1 20 19022 1 1 25 VAL HG22 H 2.158 2.370 -6.621 1.00 . A A . 25 VAL HG22 1 1 20 19023 1 1 25 VAL HG23 H 2.109 3.613 -7.905 1.00 . A A . 25 VAL HG23 1 1 20 19024 1 1 25 VAL N N 1.545 2.879 -3.971 1.00 . A A . 25 VAL N 1 1 20 19025 1 1 25 VAL O O -1.268 4.956 -4.452 1.00 . A A . 25 VAL O 1 1 20 19026 1 1 26 ASP C C -3.304 2.444 -3.979 1.00 . A A . 26 ASP C 1 1 20 19027 1 1 26 ASP CA C -2.562 2.704 -5.272 1.00 . A A . 26 ASP CA 1 1 20 19028 1 1 26 ASP CB C -2.926 1.649 -6.348 1.00 . A A . 26 ASP CB 1 1 20 19029 1 1 26 ASP CG C -4.393 1.705 -6.769 1.00 . A A . 26 ASP CG 1 1 20 19030 1 1 26 ASP H H -0.553 2.003 -5.110 1.00 . A A . 26 ASP H 1 1 20 19031 1 1 26 ASP HA H -2.900 3.661 -5.651 1.00 . A A . 26 ASP HA 1 1 20 19032 1 1 26 ASP HB2 H -2.326 1.868 -7.252 1.00 . A A . 26 ASP HB2 1 1 20 19033 1 1 26 ASP HB3 H -2.693 0.625 -6.001 1.00 . A A . 26 ASP HB3 1 1 20 19034 1 1 26 ASP HD2 H -5.743 2.969 -7.314 1.00 . A A . 26 ASP HD2 1 1 20 19035 1 1 26 ASP N N -1.136 2.806 -5.047 1.00 . A A . 26 ASP N 1 1 20 19036 1 1 26 ASP O O -2.954 1.559 -3.195 1.00 . A A . 26 ASP O 1 1 20 19037 1 1 26 ASP OD1 O -5.158 0.762 -6.825 1.00 . A A . 26 ASP OD1 1 1 20 19038 1 1 26 ASP OD2 O -4.804 2.977 -7.059 1.00 . A A . 26 ASP OD2 1 1 20 19039 1 1 27 VAL C C -5.899 1.973 -2.268 1.00 . A A . 27 VAL C 1 1 20 19040 1 1 27 VAL CA C -5.158 3.263 -2.568 1.00 . A A . 27 VAL CA 1 1 20 19041 1 1 27 VAL CB C -6.103 4.458 -2.486 1.00 . A A . 27 VAL CB 1 1 20 19042 1 1 27 VAL CG1 C -5.294 5.755 -2.657 1.00 . A A . 27 VAL CG1 1 1 20 19043 1 1 27 VAL CG2 C -7.256 4.365 -3.500 1.00 . A A . 27 VAL CG2 1 1 20 19044 1 1 27 VAL H H -4.593 3.923 -4.462 1.00 . A A . 27 VAL H 1 1 20 19045 1 1 27 VAL HA H -4.469 3.381 -1.745 1.00 . A A . 27 VAL HA 1 1 20 19046 1 1 27 VAL HB H -6.558 4.485 -1.474 1.00 . A A . 27 VAL HB 1 1 20 19047 1 1 27 VAL HG11 H -4.441 5.780 -1.946 1.00 . A A . 27 VAL HG11 1 1 20 19048 1 1 27 VAL HG12 H -5.941 6.634 -2.453 1.00 . A A . 27 VAL HG12 1 1 20 19049 1 1 27 VAL HG13 H -4.895 5.856 -3.688 1.00 . A A . 27 VAL HG13 1 1 20 19050 1 1 27 VAL HG21 H -7.922 5.247 -3.377 1.00 . A A . 27 VAL HG21 1 1 20 19051 1 1 27 VAL HG22 H -7.862 3.453 -3.318 1.00 . A A . 27 VAL HG22 1 1 20 19052 1 1 27 VAL HG23 H -6.877 4.343 -4.543 1.00 . A A . 27 VAL HG23 1 1 20 19053 1 1 27 VAL N N -4.361 3.244 -3.772 1.00 . A A . 27 VAL N 1 1 20 19054 1 1 27 VAL O O -6.122 1.099 -3.107 1.00 . A A . 27 VAL O 1 1 20 19055 1 1 28 ARG C C -8.036 1.050 0.436 1.00 . A A . 28 ARG C 1 1 20 19056 1 1 28 ARG CA C -6.885 0.656 -0.457 1.00 . A A . 28 ARG CA 1 1 20 19057 1 1 28 ARG CB C -5.861 -0.216 0.319 1.00 . A A . 28 ARG CB 1 1 20 19058 1 1 28 ARG CD C -3.665 1.033 0.853 1.00 . A A . 28 ARG CD 1 1 20 19059 1 1 28 ARG CG C -4.999 0.486 1.378 1.00 . A A . 28 ARG CG 1 1 20 19060 1 1 28 ARG CZ C -2.250 1.072 2.954 1.00 . A A . 28 ARG CZ 1 1 20 19061 1 1 28 ARG H H -6.053 2.557 -0.338 1.00 . A A . 28 ARG H 1 1 20 19062 1 1 28 ARG HA H -7.311 0.070 -1.255 1.00 . A A . 28 ARG HA 1 1 20 19063 1 1 28 ARG HB2 H -6.394 -1.049 0.816 1.00 . A A . 28 ARG HB2 1 1 20 19064 1 1 28 ARG HB3 H -5.173 -0.686 -0.405 1.00 . A A . 28 ARG HB3 1 1 20 19065 1 1 28 ARG HD2 H -3.036 0.230 0.423 1.00 . A A . 28 ARG HD2 1 1 20 19066 1 1 28 ARG HD3 H -3.814 1.790 0.060 1.00 . A A . 28 ARG HD3 1 1 20 19067 1 1 28 ARG HE H -3.186 2.684 2.143 1.00 . A A . 28 ARG HE 1 1 20 19068 1 1 28 ARG HG2 H -5.586 1.283 1.872 1.00 . A A . 28 ARG HG2 1 1 20 19069 1 1 28 ARG HG3 H -4.759 -0.277 2.155 1.00 . A A . 28 ARG HG3 1 1 20 19070 1 1 28 ARG HH11 H -2.221 -0.805 2.082 1.00 . A A . 28 ARG HH11 1 1 20 19071 1 1 28 ARG HH12 H -1.410 -0.679 3.600 1.00 . A A . 28 ARG HH12 1 1 20 19072 1 1 28 ARG HH21 H -2.097 2.723 4.171 1.00 . A A . 28 ARG HH21 1 1 20 19073 1 1 28 ARG HH22 H -1.332 1.283 4.771 1.00 . A A . 28 ARG HH22 1 1 20 19074 1 1 28 ARG N N -6.266 1.834 -0.991 1.00 . A A . 28 ARG N 1 1 20 19075 1 1 28 ARG NE N -2.972 1.722 1.992 1.00 . A A . 28 ARG NE 1 1 20 19076 1 1 28 ARG NH1 N -1.935 -0.250 2.863 1.00 . A A . 28 ARG NH1 1 1 20 19077 1 1 28 ARG NH2 N -1.834 1.768 4.052 1.00 . A A . 28 ARG NH2 1 1 20 19078 1 1 28 ARG O O -8.354 2.228 0.589 1.00 . A A . 28 ARG O 1 1 20 19079 1 1 29 GLU C C -9.278 0.979 3.260 1.00 . A A . 29 GLU C 1 1 20 19080 1 1 29 GLU CA C -9.723 0.192 2.046 1.00 . A A . 29 GLU CA 1 1 20 19081 1 1 29 GLU CB C -10.210 -1.217 2.466 1.00 . A A . 29 GLU CB 1 1 20 19082 1 1 29 GLU CD C -12.596 -0.948 1.659 1.00 . A A . 29 GLU CD 1 1 20 19083 1 1 29 GLU CG C -11.322 -1.771 1.546 1.00 . A A . 29 GLU CG 1 1 20 19084 1 1 29 GLU H H -8.472 -0.899 0.801 1.00 . A A . 29 GLU H 1 1 20 19085 1 1 29 GLU HA H -10.541 0.758 1.629 1.00 . A A . 29 GLU HA 1 1 20 19086 1 1 29 GLU HB2 H -9.333 -1.897 2.412 1.00 . A A . 29 GLU HB2 1 1 20 19087 1 1 29 GLU HB3 H -10.563 -1.228 3.519 1.00 . A A . 29 GLU HB3 1 1 20 19088 1 1 29 GLU HE2 H -12.783 -1.826 3.369 1.00 . A A . 29 GLU HE2 1 1 20 19089 1 1 29 GLU HG2 H -10.973 -1.734 0.492 1.00 . A A . 29 GLU HG2 1 1 20 19090 1 1 29 GLU HG3 H -11.545 -2.831 1.802 1.00 . A A . 29 GLU HG3 1 1 20 19091 1 1 29 GLU N N -8.731 0.053 1.004 1.00 . A A . 29 GLU N 1 1 20 19092 1 1 29 GLU O O -9.906 1.963 3.650 1.00 . A A . 29 GLU O 1 1 20 19093 1 1 29 GLU OE1 O -13.089 -0.237 0.803 1.00 . A A . 29 GLU OE1 1 1 20 19094 1 1 29 GLU OE2 O -13.151 -1.065 2.910 1.00 . A A . 29 GLU OE2 1 1 20 19095 1 1 30 SER C C -6.320 0.685 5.429 1.00 . A A . 30 SER C 1 1 20 19096 1 1 30 SER CA C -7.799 0.904 5.226 1.00 . A A . 30 SER CA 1 1 20 19097 1 1 30 SER CB C -8.548 0.102 6.336 1.00 . A A . 30 SER CB 1 1 20 19098 1 1 30 SER H H -7.656 -0.212 3.442 1.00 . A A . 30 SER H 1 1 20 19099 1 1 30 SER HA H -7.987 1.961 5.338 1.00 . A A . 30 SER HA 1 1 20 19100 1 1 30 SER HB2 H -8.479 -0.990 6.119 1.00 . A A . 30 SER HB2 1 1 20 19101 1 1 30 SER HB3 H -8.105 0.273 7.344 1.00 . A A . 30 SER HB3 1 1 20 19102 1 1 30 SER HG H -10.331 -0.016 7.120 1.00 . A A . 30 SER HG 1 1 20 19103 1 1 30 SER N N -8.187 0.508 3.882 1.00 . A A . 30 SER N 1 1 20 19104 1 1 30 SER O O -5.635 0.134 4.572 1.00 . A A . 30 SER O 1 1 20 19105 1 1 30 SER OG O -9.920 0.489 6.396 1.00 . A A . 30 SER OG 1 1 20 19106 1 1 31 CYS C C -4.401 -0.604 7.612 1.00 . A A . 31 CYS C 1 1 20 19107 1 1 31 CYS CA C -4.452 0.811 7.052 1.00 . A A . 31 CYS CA 1 1 20 19108 1 1 31 CYS CB C -4.068 1.778 8.208 1.00 . A A . 31 CYS CB 1 1 20 19109 1 1 31 CYS H H -6.352 1.589 7.266 1.00 . A A . 31 CYS H 1 1 20 19110 1 1 31 CYS HA H -3.767 0.883 6.214 1.00 . A A . 31 CYS HA 1 1 20 19111 1 1 31 CYS HB2 H -4.723 1.546 9.083 1.00 . A A . 31 CYS HB2 1 1 20 19112 1 1 31 CYS HB3 H -3.000 1.625 8.497 1.00 . A A . 31 CYS HB3 1 1 20 19113 1 1 31 CYS N N -5.797 1.105 6.598 1.00 . A A . 31 CYS N 1 1 20 19114 1 1 31 CYS O O -5.434 -1.223 7.871 1.00 . A A . 31 CYS O 1 1 20 19115 1 1 31 CYS SG S -4.355 3.525 7.789 1.00 . A A . 31 CYS SG 1 1 20 19116 1 1 32 HIS C C -1.953 -2.556 9.441 1.00 . A A . 32 HIS C 1 1 20 19117 1 1 32 HIS CA C -3.100 -2.466 8.455 1.00 . A A . 32 HIS CA 1 1 20 19118 1 1 32 HIS CB C -3.012 -3.572 7.382 1.00 . A A . 32 HIS CB 1 1 20 19119 1 1 32 HIS CD2 C -3.085 -6.029 8.247 1.00 . A A . 32 HIS CD2 1 1 20 19120 1 1 32 HIS CE1 C -5.259 -6.191 8.309 1.00 . A A . 32 HIS CE1 1 1 20 19121 1 1 32 HIS CG C -3.610 -4.860 7.825 1.00 . A A . 32 HIS CG 1 1 20 19122 1 1 32 HIS H H -2.350 -0.756 7.464 1.00 . A A . 32 HIS H 1 1 20 19123 1 1 32 HIS HA H -3.986 -2.641 9.052 1.00 . A A . 32 HIS HA 1 1 20 19124 1 1 32 HIS HB2 H -3.655 -3.255 6.531 1.00 . A A . 32 HIS HB2 1 1 20 19125 1 1 32 HIS HB3 H -1.982 -3.712 6.998 1.00 . A A . 32 HIS HB3 1 1 20 19126 1 1 32 HIS HD1 H -5.620 -4.274 7.626 1.00 . A A . 32 HIS HD1 1 1 20 19127 1 1 32 HIS HD2 H -2.049 -6.308 8.387 1.00 . A A . 32 HIS HD2 1 1 20 19128 1 1 32 HIS HE1 H -6.258 -6.530 8.452 1.00 . A A . 32 HIS HE1 1 1 20 19129 1 1 32 HIS HE2 H -4.066 -7.793 8.887 1.00 . A A . 32 HIS HE2 1 1 20 19130 1 1 32 HIS N N -3.200 -1.166 7.825 1.00 . A A . 32 HIS N 1 1 20 19131 1 1 32 HIS ND1 N -4.963 -4.983 7.875 1.00 . A A . 32 HIS ND1 1 1 20 19132 1 1 32 HIS NE2 N -4.135 -6.856 8.539 1.00 . A A . 32 HIS NE2 1 1 20 19133 1 1 32 HIS O O -2.160 -2.768 10.635 1.00 . A A . 32 HIS O 1 1 20 19134 1 1 33 SER C C 1.633 -1.740 9.363 1.00 . A A . 33 SER C 1 1 20 19135 1 1 33 SER CA C 0.476 -2.618 9.783 1.00 . A A . 33 SER CA 1 1 20 19136 1 1 33 SER CB C 0.962 -4.096 9.746 1.00 . A A . 33 SER CB 1 1 20 19137 1 1 33 SER H H -0.552 -2.077 8.031 1.00 . A A . 33 SER H 1 1 20 19138 1 1 33 SER HA H 0.257 -2.308 10.796 1.00 . A A . 33 SER HA 1 1 20 19139 1 1 33 SER HB2 H 1.033 -4.434 8.687 1.00 . A A . 33 SER HB2 1 1 20 19140 1 1 33 SER HB3 H 1.971 -4.196 10.205 1.00 . A A . 33 SER HB3 1 1 20 19141 1 1 33 SER HG H 0.000 -4.626 11.349 1.00 . A A . 33 SER HG 1 1 20 19142 1 1 33 SER N N -0.705 -2.400 8.974 1.00 . A A . 33 SER N 1 1 20 19143 1 1 33 SER O O 1.973 -0.787 10.056 1.00 . A A . 33 SER O 1 1 20 19144 1 1 33 SER OG O 0.052 -4.953 10.438 1.00 . A A . 33 SER OG 1 1 20 19145 1 1 34 ALA C C 3.783 -0.215 7.318 1.00 . A A . 34 ALA C 1 1 20 19146 1 1 34 ALA CA C 3.657 -1.590 7.957 1.00 . A A . 34 ALA CA 1 1 20 19147 1 1 34 ALA CB C 4.352 -2.659 7.091 1.00 . A A . 34 ALA CB 1 1 20 19148 1 1 34 ALA H H 1.897 -2.589 7.528 1.00 . A A . 34 ALA H 1 1 20 19149 1 1 34 ALA HA H 4.167 -1.511 8.901 1.00 . A A . 34 ALA HA 1 1 20 19150 1 1 34 ALA HB1 H 4.322 -3.640 7.610 1.00 . A A . 34 ALA HB1 1 1 20 19151 1 1 34 ALA HB2 H 5.416 -2.397 6.902 1.00 . A A . 34 ALA HB2 1 1 20 19152 1 1 34 ALA HB3 H 3.839 -2.764 6.109 1.00 . A A . 34 ALA HB3 1 1 20 19153 1 1 34 ALA N N 2.310 -2.035 8.237 1.00 . A A . 34 ALA N 1 1 20 19154 1 1 34 ALA O O 4.601 0.035 6.431 1.00 . A A . 34 ALA O 1 1 20 19155 1 1 35 CYS C C 3.140 2.991 8.741 1.00 . A A . 35 CYS C 1 1 20 19156 1 1 35 CYS CA C 3.059 2.125 7.483 1.00 . A A . 35 CYS CA 1 1 20 19157 1 1 35 CYS CB C 1.828 2.517 6.640 1.00 . A A . 35 CYS CB 1 1 20 19158 1 1 35 CYS H H 2.283 0.417 8.458 1.00 . A A . 35 CYS H 1 1 20 19159 1 1 35 CYS HA H 3.958 2.299 6.908 1.00 . A A . 35 CYS HA 1 1 20 19160 1 1 35 CYS HB2 H 1.717 1.727 5.855 1.00 . A A . 35 CYS HB2 1 1 20 19161 1 1 35 CYS HB3 H 0.922 2.468 7.293 1.00 . A A . 35 CYS HB3 1 1 20 19162 1 1 35 CYS N N 2.982 0.727 7.816 1.00 . A A . 35 CYS N 1 1 20 19163 1 1 35 CYS O O 2.601 2.669 9.799 1.00 . A A . 35 CYS O 1 1 20 19164 1 1 35 CYS SG S 2.017 4.141 5.840 1.00 . A A . 35 CYS SG 1 1 20 19165 1 1 36 ASP C C 2.672 6.201 9.351 1.00 . A A . 36 ASP C 1 1 20 19166 1 1 36 ASP CA C 3.778 5.188 9.663 1.00 . A A . 36 ASP CA 1 1 20 19167 1 1 36 ASP CB C 5.171 5.864 9.864 1.00 . A A . 36 ASP CB 1 1 20 19168 1 1 36 ASP CG C 5.782 6.485 8.617 1.00 . A A . 36 ASP CG 1 1 20 19169 1 1 36 ASP H H 4.318 4.377 7.813 1.00 . A A . 36 ASP H 1 1 20 19170 1 1 36 ASP HA H 3.520 4.743 10.614 1.00 . A A . 36 ASP HA 1 1 20 19171 1 1 36 ASP HB2 H 5.097 6.642 10.652 1.00 . A A . 36 ASP HB2 1 1 20 19172 1 1 36 ASP HB3 H 5.880 5.086 10.220 1.00 . A A . 36 ASP HB3 1 1 20 19173 1 1 36 ASP HD2 H 7.157 7.747 8.084 1.00 . A A . 36 ASP HD2 1 1 20 19174 1 1 36 ASP N N 3.816 4.156 8.645 1.00 . A A . 36 ASP N 1 1 20 19175 1 1 36 ASP O O 1.704 6.363 10.094 1.00 . A A . 36 ASP O 1 1 20 19176 1 1 36 ASP OD1 O 5.432 6.255 7.472 1.00 . A A . 36 ASP OD1 1 1 20 19177 1 1 36 ASP OD2 O 6.784 7.369 8.886 1.00 . A A . 36 ASP OD2 1 1 20 19178 1 1 37 LYS C C 0.866 7.343 6.794 1.00 . A A . 37 LYS C 1 1 20 19179 1 1 37 LYS CA C 1.915 7.930 7.726 1.00 . A A . 37 LYS CA 1 1 20 19180 1 1 37 LYS CB C 2.742 9.037 7.036 1.00 . A A . 37 LYS CB 1 1 20 19181 1 1 37 LYS CD C 1.509 11.124 7.944 1.00 . A A . 37 LYS CD 1 1 20 19182 1 1 37 LYS CE C 0.853 12.456 7.552 1.00 . A A . 37 LYS CE 1 1 20 19183 1 1 37 LYS CG C 1.979 10.330 6.716 1.00 . A A . 37 LYS CG 1 1 20 19184 1 1 37 LYS H H 3.595 6.719 7.630 1.00 . A A . 37 LYS H 1 1 20 19185 1 1 37 LYS HA H 1.396 8.352 8.569 1.00 . A A . 37 LYS HA 1 1 20 19186 1 1 37 LYS HB2 H 3.610 9.287 7.682 1.00 . A A . 37 LYS HB2 1 1 20 19187 1 1 37 LYS HB3 H 3.156 8.642 6.089 1.00 . A A . 37 LYS HB3 1 1 20 19188 1 1 37 LYS HD2 H 0.778 10.518 8.523 1.00 . A A . 37 LYS HD2 1 1 20 19189 1 1 37 LYS HD3 H 2.379 11.335 8.608 1.00 . A A . 37 LYS HD3 1 1 20 19190 1 1 37 LYS HE2 H 1.575 13.102 7.011 1.00 . A A . 37 LYS HE2 1 1 20 19191 1 1 37 LYS HE3 H -0.027 12.274 6.903 1.00 . A A . 37 LYS HE3 1 1 20 19192 1 1 37 LYS HG2 H 2.650 10.981 6.114 1.00 . A A . 37 LYS HG2 1 1 20 19193 1 1 37 LYS HG3 H 1.106 10.084 6.077 1.00 . A A . 37 LYS HG3 1 1 20 19194 1 1 37 LYS HZ1 H 1.200 13.498 9.317 1.00 . A A . 37 LYS HZ1 1 1 20 19195 1 1 37 LYS HZ2 H -0.237 12.591 9.310 1.00 . A A . 37 LYS HZ2 1 1 20 19196 1 1 37 LYS HZ3 H -0.144 14.043 8.435 1.00 . A A . 37 LYS HZ3 1 1 20 19197 1 1 37 LYS N N 2.797 6.895 8.203 1.00 . A A . 37 LYS N 1 1 20 19198 1 1 37 LYS NZ N 0.385 13.202 8.742 1.00 . A A . 37 LYS NZ 1 1 20 19199 1 1 37 LYS O O 0.825 7.587 5.585 1.00 . A A . 37 LYS O 1 1 20 19200 1 1 38 CYS C C -2.329 7.030 6.933 1.00 . A A . 38 CYS C 1 1 20 19201 1 1 38 CYS CA C -1.209 6.040 6.717 1.00 . A A . 38 CYS CA 1 1 20 19202 1 1 38 CYS CB C -1.597 4.661 7.283 1.00 . A A . 38 CYS CB 1 1 20 19203 1 1 38 CYS H H 0.091 6.219 8.312 1.00 . A A . 38 CYS H 1 1 20 19204 1 1 38 CYS HA H -1.040 5.966 5.651 1.00 . A A . 38 CYS HA 1 1 20 19205 1 1 38 CYS HB2 H -0.697 4.009 7.201 1.00 . A A . 38 CYS HB2 1 1 20 19206 1 1 38 CYS HB3 H -1.824 4.782 8.369 1.00 . A A . 38 CYS HB3 1 1 20 19207 1 1 38 CYS N N -0.017 6.511 7.365 1.00 . A A . 38 CYS N 1 1 20 19208 1 1 38 CYS O O -2.863 7.168 8.033 1.00 . A A . 38 CYS O 1 1 20 19209 1 1 38 CYS SG S -2.976 3.907 6.362 1.00 . A A . 38 CYS SG 1 1 20 19210 1 1 39 VAL C C -4.930 8.097 5.273 1.00 . A A . 39 VAL C 1 1 20 19211 1 1 39 VAL CA C -3.737 8.742 5.925 1.00 . A A . 39 VAL CA 1 1 20 19212 1 1 39 VAL CB C -3.295 9.949 5.136 1.00 . A A . 39 VAL CB 1 1 20 19213 1 1 39 VAL CG1 C -4.364 11.039 5.088 1.00 . A A . 39 VAL CG1 1 1 20 19214 1 1 39 VAL CG2 C -2.029 10.526 5.782 1.00 . A A . 39 VAL CG2 1 1 20 19215 1 1 39 VAL H H -2.325 7.617 4.958 1.00 . A A . 39 VAL H 1 1 20 19216 1 1 39 VAL HA H -3.977 9.031 6.940 1.00 . A A . 39 VAL HA 1 1 20 19217 1 1 39 VAL HB H -3.065 9.621 4.104 1.00 . A A . 39 VAL HB 1 1 20 19218 1 1 39 VAL HG11 H -3.933 11.926 4.579 1.00 . A A . 39 VAL HG11 1 1 20 19219 1 1 39 VAL HG12 H -4.659 11.323 6.118 1.00 . A A . 39 VAL HG12 1 1 20 19220 1 1 39 VAL HG13 H -5.250 10.704 4.513 1.00 . A A . 39 VAL HG13 1 1 20 19221 1 1 39 VAL HG21 H -2.236 10.771 6.845 1.00 . A A . 39 VAL HG21 1 1 20 19222 1 1 39 VAL HG22 H -1.744 11.462 5.255 1.00 . A A . 39 VAL HG22 1 1 20 19223 1 1 39 VAL HG23 H -1.186 9.807 5.730 1.00 . A A . 39 VAL HG23 1 1 20 19224 1 1 39 VAL N N -2.699 7.754 5.874 1.00 . A A . 39 VAL N 1 1 20 19225 1 1 39 VAL O O -4.784 7.317 4.330 1.00 . A A . 39 VAL O 1 1 20 19226 1 1 40 CYS C C -8.449 8.699 5.395 1.00 . A A . 40 CYS C 1 1 20 19227 1 1 40 CYS CA C -7.323 7.710 5.341 1.00 . A A . 40 CYS CA 1 1 20 19228 1 1 40 CYS CB C -7.621 6.574 6.344 1.00 . A A . 40 CYS CB 1 1 20 19229 1 1 40 CYS H H -6.272 8.997 6.540 1.00 . A A . 40 CYS H 1 1 20 19230 1 1 40 CYS HA H -7.231 7.346 4.337 1.00 . A A . 40 CYS HA 1 1 20 19231 1 1 40 CYS HB2 H -6.685 6.395 6.904 1.00 . A A . 40 CYS HB2 1 1 20 19232 1 1 40 CYS HB3 H -8.353 6.918 7.101 1.00 . A A . 40 CYS HB3 1 1 20 19233 1 1 40 CYS N N -6.140 8.400 5.753 1.00 . A A . 40 CYS N 1 1 20 19234 1 1 40 CYS O O -8.323 9.771 5.984 1.00 . A A . 40 CYS O 1 1 20 19235 1 1 40 CYS SG S -8.149 4.986 5.635 1.00 . A A . 40 CYS SG 1 1 20 19236 1 1 41 ALA C C -11.926 8.532 4.173 1.00 . A A . 41 ALA C 1 1 20 19237 1 1 41 ALA CA C -10.708 9.233 4.725 1.00 . A A . 41 ALA CA 1 1 20 19238 1 1 41 ALA CB C -10.413 10.414 3.781 1.00 . A A . 41 ALA CB 1 1 20 19239 1 1 41 ALA H H -9.586 7.510 4.243 1.00 . A A . 41 ALA H 1 1 20 19240 1 1 41 ALA HA H -10.952 9.591 5.716 1.00 . A A . 41 ALA HA 1 1 20 19241 1 1 41 ALA HB1 H -10.158 10.030 2.770 1.00 . A A . 41 ALA HB1 1 1 20 19242 1 1 41 ALA HB2 H -9.549 10.990 4.167 1.00 . A A . 41 ALA HB2 1 1 20 19243 1 1 41 ALA HB3 H -11.289 11.094 3.716 1.00 . A A . 41 ALA HB3 1 1 20 19244 1 1 41 ALA N N -9.588 8.335 4.810 1.00 . A A . 41 ALA N 1 1 20 19245 1 1 41 ALA O O -11.874 7.653 3.313 1.00 . A A . 41 ALA O 1 1 20 19246 1 1 42 TYR C C -15.160 8.626 3.378 1.00 . A A . 42 TYR C 1 1 20 19247 1 1 42 TYR CA C -14.384 8.343 4.651 1.00 . A A . 42 TYR CA 1 1 20 19248 1 1 42 TYR CB C -15.171 8.799 5.907 1.00 . A A . 42 TYR CB 1 1 20 19249 1 1 42 TYR CD1 C -16.394 10.957 5.370 1.00 . A A . 42 TYR CD1 1 1 20 19250 1 1 42 TYR CD2 C -14.381 11.095 6.707 1.00 . A A . 42 TYR CD2 1 1 20 19251 1 1 42 TYR CE1 C -16.534 12.348 5.433 1.00 . A A . 42 TYR CE1 1 1 20 19252 1 1 42 TYR CE2 C -14.527 12.487 6.776 1.00 . A A . 42 TYR CE2 1 1 20 19253 1 1 42 TYR CG C -15.318 10.308 6.005 1.00 . A A . 42 TYR CG 1 1 20 19254 1 1 42 TYR CZ C -15.611 13.111 6.153 1.00 . A A . 42 TYR CZ 1 1 20 19255 1 1 42 TYR H H -13.034 9.718 5.346 1.00 . A A . 42 TYR H 1 1 20 19256 1 1 42 TYR HA H -14.231 7.280 4.694 1.00 . A A . 42 TYR HA 1 1 20 19257 1 1 42 TYR HB2 H -16.179 8.327 5.938 1.00 . A A . 42 TYR HB2 1 1 20 19258 1 1 42 TYR HB3 H -14.595 8.444 6.791 1.00 . A A . 42 TYR HB3 1 1 20 19259 1 1 42 TYR HD1 H -17.123 10.391 4.810 1.00 . A A . 42 TYR HD1 1 1 20 19260 1 1 42 TYR HD2 H -13.534 10.644 7.202 1.00 . A A . 42 TYR HD2 1 1 20 19261 1 1 42 TYR HE1 H -17.369 12.818 4.934 1.00 . A A . 42 TYR HE1 1 1 20 19262 1 1 42 TYR HE2 H -13.807 13.077 7.321 1.00 . A A . 42 TYR HE2 1 1 20 19263 1 1 42 TYR HH H -16.520 14.770 5.686 1.00 . A A . 42 TYR HH 1 1 20 19264 1 1 42 TYR N N -13.081 8.970 4.696 1.00 . A A . 42 TYR N 1 1 20 19265 1 1 42 TYR O O -16.383 8.541 3.307 1.00 . A A . 42 TYR O 1 1 20 19266 1 1 42 TYR OH O -15.778 14.503 6.273 1.00 . A A . 42 TYR OH 1 1 20 19267 1 1 43 SER C C -15.510 8.205 0.233 1.00 . A A . 43 SER C 1 1 20 19268 1 1 43 SER CA C -14.778 9.306 0.986 1.00 . A A . 43 SER CA 1 1 20 19269 1 1 43 SER CB C -13.506 9.691 0.180 1.00 . A A . 43 SER CB 1 1 20 19270 1 1 43 SER H H -13.428 9.000 2.547 1.00 . A A . 43 SER H 1 1 20 19271 1 1 43 SER HA H -15.438 10.159 1.022 1.00 . A A . 43 SER HA 1 1 20 19272 1 1 43 SER HB2 H -12.894 8.776 -0.002 1.00 . A A . 43 SER HB2 1 1 20 19273 1 1 43 SER HB3 H -13.790 10.151 -0.793 1.00 . A A . 43 SER HB3 1 1 20 19274 1 1 43 SER HG H -11.901 10.783 0.375 1.00 . A A . 43 SER HG 1 1 20 19275 1 1 43 SER N N -14.402 8.970 2.341 1.00 . A A . 43 SER N 1 1 20 19276 1 1 43 SER O O -15.901 7.165 0.765 1.00 . A A . 43 SER O 1 1 20 19277 1 1 43 SER OG O -12.707 10.623 0.909 1.00 . A A . 43 SER OG 1 1 20 19278 1 1 44 ASN C C -15.758 7.513 -3.307 1.00 . A A . 44 ASN C 1 1 20 19279 1 1 44 ASN CA C -16.386 7.467 -1.914 1.00 . A A . 44 ASN CA 1 1 20 19280 1 1 44 ASN CB C -17.861 7.893 -1.973 1.00 . A A . 44 ASN CB 1 1 20 19281 1 1 44 ASN CG C -18.743 6.805 -2.564 1.00 . A A . 44 ASN CG 1 1 20 19282 1 1 44 ASN H H -15.433 9.254 -1.508 1.00 . A A . 44 ASN H 1 1 20 19283 1 1 44 ASN HA H -16.317 6.481 -1.496 1.00 . A A . 44 ASN HA 1 1 20 19284 1 1 44 ASN HB2 H -18.181 8.050 -0.925 1.00 . A A . 44 ASN HB2 1 1 20 19285 1 1 44 ASN HB3 H -17.982 8.857 -2.496 1.00 . A A . 44 ASN HB3 1 1 20 19286 1 1 44 ASN HD21 H -18.214 7.246 -4.493 1.00 . A A . 44 ASN HD21 1 1 20 19287 1 1 44 ASN HD22 H -19.282 5.908 -4.297 1.00 . A A . 44 ASN HD22 1 1 20 19288 1 1 44 ASN N N -15.670 8.390 -1.082 1.00 . A A . 44 ASN N 1 1 20 19289 1 1 44 ASN ND2 N -18.748 6.650 -3.903 1.00 . A A . 44 ASN ND2 1 1 20 19290 1 1 44 ASN O O -15.942 8.484 -4.039 1.00 . A A . 44 ASN O 1 1 20 19291 1 1 44 ASN OD1 O -19.413 6.086 -1.821 1.00 . A A . 44 ASN OD1 1 1 20 19292 1 1 45 PRO C C -13.624 5.791 -1.803 1.00 . A A . 45 PRO C 1 1 20 19293 1 1 45 PRO CA C -14.592 5.360 -2.900 1.00 . A A . 45 PRO CA 1 1 20 19294 1 1 45 PRO CB C -13.935 4.442 -3.937 1.00 . A A . 45 PRO CB 1 1 20 19295 1 1 45 PRO CD C -14.295 6.553 -4.990 1.00 . A A . 45 PRO CD 1 1 20 19296 1 1 45 PRO CG C -13.290 5.405 -4.933 1.00 . A A . 45 PRO CG 1 1 20 19297 1 1 45 PRO HA H -15.461 4.920 -2.438 1.00 . A A . 45 PRO HA 1 1 20 19298 1 1 45 PRO HB2 H -13.232 3.717 -3.495 1.00 . A A . 45 PRO HB2 1 1 20 19299 1 1 45 PRO HB3 H -14.726 3.853 -4.442 1.00 . A A . 45 PRO HB3 1 1 20 19300 1 1 45 PRO HD2 H -13.783 7.530 -5.144 1.00 . A A . 45 PRO HD2 1 1 20 19301 1 1 45 PRO HD3 H -15.030 6.373 -5.802 1.00 . A A . 45 PRO HD3 1 1 20 19302 1 1 45 PRO HG2 H -12.318 5.764 -4.533 1.00 . A A . 45 PRO HG2 1 1 20 19303 1 1 45 PRO HG3 H -13.116 4.948 -5.924 1.00 . A A . 45 PRO HG3 1 1 20 19304 1 1 45 PRO N N -14.997 6.505 -3.708 1.00 . A A . 45 PRO N 1 1 20 19305 1 1 45 PRO O O -13.045 6.875 -1.926 1.00 . A A . 45 PRO O 1 1 20 19306 1 1 46 PRO C C -11.255 5.579 0.122 1.00 . A A . 46 PRO C 1 1 20 19307 1 1 46 PRO CA C -12.719 5.506 0.445 1.00 . A A . 46 PRO CA 1 1 20 19308 1 1 46 PRO CB C -13.016 4.460 1.520 1.00 . A A . 46 PRO CB 1 1 20 19309 1 1 46 PRO CD C -14.042 3.724 -0.505 1.00 . A A . 46 PRO CD 1 1 20 19310 1 1 46 PRO CG C -13.309 3.192 0.724 1.00 . A A . 46 PRO CG 1 1 20 19311 1 1 46 PRO HA H -13.041 6.491 0.743 1.00 . A A . 46 PRO HA 1 1 20 19312 1 1 46 PRO HB2 H -12.188 4.336 2.247 1.00 . A A . 46 PRO HB2 1 1 20 19313 1 1 46 PRO HB3 H -13.939 4.755 2.068 1.00 . A A . 46 PRO HB3 1 1 20 19314 1 1 46 PRO HD2 H -13.844 3.061 -1.389 1.00 . A A . 46 PRO HD2 1 1 20 19315 1 1 46 PRO HD3 H -15.131 3.848 -0.264 1.00 . A A . 46 PRO HD3 1 1 20 19316 1 1 46 PRO HG2 H -12.356 2.711 0.408 1.00 . A A . 46 PRO HG2 1 1 20 19317 1 1 46 PRO HG3 H -13.922 2.480 1.313 1.00 . A A . 46 PRO HG3 1 1 20 19318 1 1 46 PRO N N -13.476 5.054 -0.709 1.00 . A A . 46 PRO N 1 1 20 19319 1 1 46 PRO O O -10.772 4.861 -0.754 1.00 . A A . 46 PRO O 1 1 20 19320 1 1 47 GLN C C -8.342 6.256 1.601 1.00 . A A . 47 GLN C 1 1 20 19321 1 1 47 GLN CA C -9.163 6.738 0.460 1.00 . A A . 47 GLN CA 1 1 20 19322 1 1 47 GLN CB C -8.883 8.241 0.291 1.00 . A A . 47 GLN CB 1 1 20 19323 1 1 47 GLN CD C -9.517 10.345 -0.883 1.00 . A A . 47 GLN CD 1 1 20 19324 1 1 47 GLN CG C -9.746 8.847 -0.819 1.00 . A A . 47 GLN CG 1 1 20 19325 1 1 47 GLN H H -10.894 6.935 1.608 1.00 . A A . 47 GLN H 1 1 20 19326 1 1 47 GLN HA H -8.856 6.216 -0.434 1.00 . A A . 47 GLN HA 1 1 20 19327 1 1 47 GLN HB2 H -9.081 8.776 1.248 1.00 . A A . 47 GLN HB2 1 1 20 19328 1 1 47 GLN HB3 H -7.810 8.399 0.036 1.00 . A A . 47 GLN HB3 1 1 20 19329 1 1 47 GLN HE21 H -7.845 10.084 -2.005 1.00 . A A . 47 GLN HE21 1 1 20 19330 1 1 47 GLN HE22 H -8.309 11.741 -1.728 1.00 . A A . 47 GLN HE22 1 1 20 19331 1 1 47 GLN HG2 H -9.498 8.381 -1.793 1.00 . A A . 47 GLN HG2 1 1 20 19332 1 1 47 GLN HG3 H -10.821 8.667 -0.609 1.00 . A A . 47 GLN HG3 1 1 20 19333 1 1 47 GLN N N -10.533 6.476 0.794 1.00 . A A . 47 GLN N 1 1 20 19334 1 1 47 GLN NE2 N -8.466 10.763 -1.616 1.00 . A A . 47 GLN NE2 1 1 20 19335 1 1 47 GLN O O -8.659 6.525 2.755 1.00 . A A . 47 GLN O 1 1 20 19336 1 1 47 GLN OE1 O -10.252 11.120 -0.261 1.00 . A A . 47 GLN OE1 1 1 20 19337 1 1 48 CYS C C -5.019 4.922 1.591 1.00 . A A . 48 CYS C 1 1 20 19338 1 1 48 CYS CA C -6.297 5.216 2.306 1.00 . A A . 48 CYS CA 1 1 20 19339 1 1 48 CYS CB C -6.749 4.001 3.131 1.00 . A A . 48 CYS CB 1 1 20 19340 1 1 48 CYS H H -7.082 5.201 0.390 1.00 . A A . 48 CYS H 1 1 20 19341 1 1 48 CYS HA H -6.124 6.067 2.937 1.00 . A A . 48 CYS HA 1 1 20 19342 1 1 48 CYS HB2 H -7.841 3.876 2.955 1.00 . A A . 48 CYS HB2 1 1 20 19343 1 1 48 CYS HB3 H -6.264 3.081 2.757 1.00 . A A . 48 CYS HB3 1 1 20 19344 1 1 48 CYS N N -7.247 5.563 1.299 1.00 . A A . 48 CYS N 1 1 20 19345 1 1 48 CYS O O -4.973 4.103 0.675 1.00 . A A . 48 CYS O 1 1 20 19346 1 1 48 CYS SG S -6.427 4.191 4.908 1.00 . A A . 48 CYS SG 1 1 20 19347 1 1 49 GLN C C -1.600 5.631 2.306 1.00 . A A . 49 GLN C 1 1 20 19348 1 1 49 GLN CA C -2.702 5.583 1.282 1.00 . A A . 49 GLN CA 1 1 20 19349 1 1 49 GLN CB C -2.567 6.765 0.294 1.00 . A A . 49 GLN CB 1 1 20 19350 1 1 49 GLN CD C -1.283 7.758 -1.711 1.00 . A A . 49 GLN CD 1 1 20 19351 1 1 49 GLN CG C -1.302 6.709 -0.596 1.00 . A A . 49 GLN CG 1 1 20 19352 1 1 49 GLN H H -4.030 6.310 2.701 1.00 . A A . 49 GLN H 1 1 20 19353 1 1 49 GLN HA H -2.616 4.641 0.770 1.00 . A A . 49 GLN HA 1 1 20 19354 1 1 49 GLN HB2 H -3.475 6.770 -0.340 1.00 . A A . 49 GLN HB2 1 1 20 19355 1 1 49 GLN HB3 H -2.606 7.708 0.871 1.00 . A A . 49 GLN HB3 1 1 20 19356 1 1 49 GLN HE21 H -1.685 9.286 -0.415 1.00 . A A . 49 GLN HE21 1 1 20 19357 1 1 49 GLN HE22 H -1.509 9.734 -2.079 1.00 . A A . 49 GLN HE22 1 1 20 19358 1 1 49 GLN HG2 H -0.391 6.837 0.021 1.00 . A A . 49 GLN HG2 1 1 20 19359 1 1 49 GLN HG3 H -1.255 5.715 -1.091 1.00 . A A . 49 GLN HG3 1 1 20 19360 1 1 49 GLN N N -3.962 5.649 1.956 1.00 . A A . 49 GLN N 1 1 20 19361 1 1 49 GLN NE2 N -1.483 9.044 -1.359 1.00 . A A . 49 GLN NE2 1 1 20 19362 1 1 49 GLN O O -1.626 6.431 3.244 1.00 . A A . 49 GLN O 1 1 20 19363 1 1 49 GLN OE1 O -1.090 7.448 -2.887 1.00 . A A . 49 GLN OE1 1 1 20 19364 1 1 50 CYS C C 1.521 5.960 2.154 1.00 . A A . 50 CYS C 1 1 20 19365 1 1 50 CYS CA C 0.673 4.915 2.857 1.00 . A A . 50 CYS CA 1 1 20 19366 1 1 50 CYS CB C 1.451 3.574 2.961 1.00 . A A . 50 CYS CB 1 1 20 19367 1 1 50 CYS H H -0.595 4.122 1.380 1.00 . A A . 50 CYS H 1 1 20 19368 1 1 50 CYS HA H 0.468 5.307 3.847 1.00 . A A . 50 CYS HA 1 1 20 19369 1 1 50 CYS HB2 H 0.764 2.788 3.347 1.00 . A A . 50 CYS HB2 1 1 20 19370 1 1 50 CYS HB3 H 1.772 3.250 1.948 1.00 . A A . 50 CYS HB3 1 1 20 19371 1 1 50 CYS N N -0.572 4.782 2.126 1.00 . A A . 50 CYS N 1 1 20 19372 1 1 50 CYS O O 2.270 5.671 1.230 1.00 . A A . 50 CYS O 1 1 20 19373 1 1 50 CYS SG S 2.889 3.693 4.071 1.00 . A A . 50 CYS SG 1 1 20 19374 1 1 51 TYR C C 3.522 8.330 1.997 1.00 . A A . 51 TYR C 1 1 20 19375 1 1 51 TYR CA C 2.012 8.407 2.040 1.00 . A A . 51 TYR CA 1 1 20 19376 1 1 51 TYR CB C 1.568 9.691 2.791 1.00 . A A . 51 TYR CB 1 1 20 19377 1 1 51 TYR CD1 C -0.916 9.831 2.313 1.00 . A A . 51 TYR CD1 1 1 20 19378 1 1 51 TYR CD2 C 0.557 11.336 1.134 1.00 . A A . 51 TYR CD2 1 1 20 19379 1 1 51 TYR CE1 C -2.015 10.391 1.656 1.00 . A A . 51 TYR CE1 1 1 20 19380 1 1 51 TYR CE2 C -0.542 11.899 0.478 1.00 . A A . 51 TYR CE2 1 1 20 19381 1 1 51 TYR CG C 0.386 10.306 2.079 1.00 . A A . 51 TYR CG 1 1 20 19382 1 1 51 TYR CZ C -1.832 11.430 0.744 1.00 . A A . 51 TYR CZ 1 1 20 19383 1 1 51 TYR H H 0.785 7.367 3.382 1.00 . A A . 51 TYR H 1 1 20 19384 1 1 51 TYR HA H 1.738 8.481 0.998 1.00 . A A . 51 TYR HA 1 1 20 19385 1 1 51 TYR HB2 H 1.287 9.455 3.836 1.00 . A A . 51 TYR HB2 1 1 20 19386 1 1 51 TYR HB3 H 2.381 10.446 2.842 1.00 . A A . 51 TYR HB3 1 1 20 19387 1 1 51 TYR HD1 H -1.099 9.025 2.998 1.00 . A A . 51 TYR HD1 1 1 20 19388 1 1 51 TYR HD2 H 1.526 11.725 0.872 1.00 . A A . 51 TYR HD2 1 1 20 19389 1 1 51 TYR HE1 H -3.002 10.011 1.857 1.00 . A A . 51 TYR HE1 1 1 20 19390 1 1 51 TYR HE2 H -0.357 12.687 -0.233 1.00 . A A . 51 TYR HE2 1 1 20 19391 1 1 51 TYR HH H -2.673 12.718 -0.438 1.00 . A A . 51 TYR HH 1 1 20 19392 1 1 51 TYR N N 1.333 7.231 2.557 1.00 . A A . 51 TYR N 1 1 20 19393 1 1 51 TYR O O 4.177 8.751 1.049 1.00 . A A . 51 TYR O 1 1 20 19394 1 1 51 TYR OH O -2.956 11.932 0.068 1.00 . A A . 51 TYR OH 1 1 20 19395 1 1 52 ASP C C 6.232 6.625 2.807 1.00 . A A . 52 ASP C 1 1 20 19396 1 1 52 ASP CA C 5.537 7.892 3.294 1.00 . A A . 52 ASP CA 1 1 20 19397 1 1 52 ASP CB C 5.872 8.189 4.782 1.00 . A A . 52 ASP CB 1 1 20 19398 1 1 52 ASP CG C 7.324 8.614 4.927 1.00 . A A . 52 ASP CG 1 1 20 19399 1 1 52 ASP H H 3.518 7.376 3.753 1.00 . A A . 52 ASP H 1 1 20 19400 1 1 52 ASP HA H 5.931 8.705 2.689 1.00 . A A . 52 ASP HA 1 1 20 19401 1 1 52 ASP HB2 H 5.249 9.038 5.136 1.00 . A A . 52 ASP HB2 1 1 20 19402 1 1 52 ASP HB3 H 5.668 7.296 5.402 1.00 . A A . 52 ASP HB3 1 1 20 19403 1 1 52 ASP HD2 H 8.898 8.300 5.949 1.00 . A A . 52 ASP HD2 1 1 20 19404 1 1 52 ASP N N 4.107 7.832 3.092 1.00 . A A . 52 ASP N 1 1 20 19405 1 1 52 ASP O O 5.712 5.516 2.865 1.00 . A A . 52 ASP O 1 1 20 19406 1 1 52 ASP OD1 O 7.905 9.363 4.164 1.00 . A A . 52 ASP OD1 1 1 20 19407 1 1 52 ASP OD2 O 7.962 8.038 5.988 1.00 . A A . 52 ASP OD2 1 1 20 19408 1 1 53 THR C C 8.957 4.914 2.912 1.00 . A A . 53 THR C 1 1 20 19409 1 1 53 THR CA C 8.307 5.736 1.822 1.00 . A A . 53 THR CA 1 1 20 19410 1 1 53 THR CB C 9.431 6.259 0.939 1.00 . A A . 53 THR CB 1 1 20 19411 1 1 53 THR CG2 C 8.864 6.766 -0.390 1.00 . A A . 53 THR CG2 1 1 20 19412 1 1 53 THR H H 7.876 7.711 2.280 1.00 . A A . 53 THR H 1 1 20 19413 1 1 53 THR HA H 7.689 5.069 1.243 1.00 . A A . 53 THR HA 1 1 20 19414 1 1 53 THR HB H 10.147 5.439 0.713 1.00 . A A . 53 THR HB 1 1 20 19415 1 1 53 THR HG1 H 10.815 6.912 2.111 1.00 . A A . 53 THR HG1 1 1 20 19416 1 1 53 THR HG21 H 8.383 5.938 -0.951 1.00 . A A . 53 THR HG21 1 1 20 19417 1 1 53 THR HG22 H 9.674 7.178 -1.029 1.00 . A A . 53 THR HG22 1 1 20 19418 1 1 53 THR HG23 H 8.109 7.565 -0.236 1.00 . A A . 53 THR HG23 1 1 20 19419 1 1 53 THR N N 7.465 6.803 2.318 1.00 . A A . 53 THR N 1 1 20 19420 1 1 53 THR O O 9.383 5.423 3.947 1.00 . A A . 53 THR O 1 1 20 19421 1 1 53 THR OG1 O 10.130 7.340 1.550 1.00 . A A . 53 THR OG1 1 1 20 19422 1 1 54 HIS C C 10.442 1.690 2.500 1.00 . A A . 54 HIS C 1 1 20 19423 1 1 54 HIS CA C 9.937 2.743 3.472 1.00 . A A . 54 HIS CA 1 1 20 19424 1 1 54 HIS CB C 9.231 2.168 4.720 1.00 . A A . 54 HIS CB 1 1 20 19425 1 1 54 HIS CD2 C 9.525 4.079 6.484 1.00 . A A . 54 HIS CD2 1 1 20 19426 1 1 54 HIS CE1 C 7.432 4.165 7.092 1.00 . A A . 54 HIS CE1 1 1 20 19427 1 1 54 HIS CG C 8.822 3.199 5.728 1.00 . A A . 54 HIS CG 1 1 20 19428 1 1 54 HIS H H 8.761 3.179 1.829 1.00 . A A . 54 HIS H 1 1 20 19429 1 1 54 HIS HA H 10.808 3.315 3.757 1.00 . A A . 54 HIS HA 1 1 20 19430 1 1 54 HIS HB2 H 8.316 1.604 4.435 1.00 . A A . 54 HIS HB2 1 1 20 19431 1 1 54 HIS HB3 H 9.913 1.509 5.285 1.00 . A A . 54 HIS HB3 1 1 20 19432 1 1 54 HIS HD1 H 6.782 2.701 5.782 1.00 . A A . 54 HIS HD1 1 1 20 19433 1 1 54 HIS HD2 H 10.583 4.316 6.491 1.00 . A A . 54 HIS HD2 1 1 20 19434 1 1 54 HIS HE1 H 6.521 4.403 7.588 1.00 . A A . 54 HIS HE1 1 1 20 19435 1 1 54 HIS HE2 H 8.855 5.365 8.025 1.00 . A A . 54 HIS HE2 1 1 20 19436 1 1 54 HIS N N 9.074 3.593 2.689 1.00 . A A . 54 HIS N 1 1 20 19437 1 1 54 HIS ND1 N 7.523 3.273 6.128 1.00 . A A . 54 HIS ND1 1 1 20 19438 1 1 54 HIS NE2 N 8.630 4.677 7.330 1.00 . A A . 54 HIS NE2 1 1 20 19439 1 1 54 HIS O O 10.745 2.017 1.356 1.00 . A A . 54 HIS O 1 1 20 19440 1 1 55 LYS C C 9.748 -1.614 1.623 1.00 . A A . 55 LYS C 1 1 20 19441 1 1 55 LYS CA C 10.881 -0.667 1.970 1.00 . A A . 55 LYS CA 1 1 20 19442 1 1 55 LYS CB C 11.997 -1.493 2.634 1.00 . A A . 55 LYS CB 1 1 20 19443 1 1 55 LYS CD C 12.813 -2.929 4.542 1.00 . A A . 55 LYS CD 1 1 20 19444 1 1 55 LYS CE C 12.471 -3.588 5.878 1.00 . A A . 55 LYS CE 1 1 20 19445 1 1 55 LYS CG C 11.585 -2.333 3.852 1.00 . A A . 55 LYS CG 1 1 20 19446 1 1 55 LYS H H 10.520 0.120 3.828 1.00 . A A . 55 LYS H 1 1 20 19447 1 1 55 LYS HA H 11.252 -0.262 1.044 1.00 . A A . 55 LYS HA 1 1 20 19448 1 1 55 LYS HB2 H 12.472 -2.166 1.892 1.00 . A A . 55 LYS HB2 1 1 20 19449 1 1 55 LYS HB3 H 12.774 -0.776 2.966 1.00 . A A . 55 LYS HB3 1 1 20 19450 1 1 55 LYS HD2 H 13.285 -3.672 3.861 1.00 . A A . 55 LYS HD2 1 1 20 19451 1 1 55 LYS HD3 H 13.553 -2.115 4.725 1.00 . A A . 55 LYS HD3 1 1 20 19452 1 1 55 LYS HE2 H 12.010 -2.852 6.572 1.00 . A A . 55 LYS HE2 1 1 20 19453 1 1 55 LYS HE3 H 11.770 -4.437 5.727 1.00 . A A . 55 LYS HE3 1 1 20 19454 1 1 55 LYS HG2 H 11.050 -1.710 4.597 1.00 . A A . 55 LYS HG2 1 1 20 19455 1 1 55 LYS HG3 H 10.902 -3.159 3.550 1.00 . A A . 55 LYS HG3 1 1 20 19456 1 1 55 LYS HZ1 H 13.482 -4.574 7.401 1.00 . A A . 55 LYS HZ1 1 1 20 19457 1 1 55 LYS HZ2 H 14.364 -3.314 6.686 1.00 . A A . 55 LYS HZ2 1 1 20 19458 1 1 55 LYS HZ3 H 14.161 -4.781 5.862 1.00 . A A . 55 LYS HZ3 1 1 20 19459 1 1 55 LYS N N 10.533 0.403 2.879 1.00 . A A . 55 LYS N 1 1 20 19460 1 1 55 LYS NZ N 13.706 -4.100 6.502 1.00 . A A . 55 LYS NZ 1 1 20 19461 1 1 55 LYS O O 9.892 -2.474 0.756 1.00 . A A . 55 LYS O 1 1 20 19462 1 1 56 PHE C C 6.798 -2.642 1.028 1.00 . A A . 56 PHE C 1 1 20 19463 1 1 56 PHE CA C 7.603 -2.576 2.319 1.00 . A A . 56 PHE CA 1 1 20 19464 1 1 56 PHE CB C 6.653 -2.535 3.556 1.00 . A A . 56 PHE CB 1 1 20 19465 1 1 56 PHE CD1 C 7.380 -4.632 4.734 1.00 . A A . 56 PHE CD1 1 1 20 19466 1 1 56 PHE CD2 C 5.101 -4.515 3.931 1.00 . A A . 56 PHE CD2 1 1 20 19467 1 1 56 PHE CE1 C 7.127 -5.894 5.280 1.00 . A A . 56 PHE CE1 1 1 20 19468 1 1 56 PHE CE2 C 4.842 -5.775 4.488 1.00 . A A . 56 PHE CE2 1 1 20 19469 1 1 56 PHE CG C 6.368 -3.923 4.064 1.00 . A A . 56 PHE CG 1 1 20 19470 1 1 56 PHE CZ C 5.855 -6.464 5.163 1.00 . A A . 56 PHE CZ 1 1 20 19471 1 1 56 PHE H H 8.450 -0.707 2.873 1.00 . A A . 56 PHE H 1 1 20 19472 1 1 56 PHE HA H 8.169 -3.499 2.362 1.00 . A A . 56 PHE HA 1 1 20 19473 1 1 56 PHE HB2 H 7.126 -2.013 4.411 1.00 . A A . 56 PHE HB2 1 1 20 19474 1 1 56 PHE HB3 H 5.698 -2.018 3.326 1.00 . A A . 56 PHE HB3 1 1 20 19475 1 1 56 PHE HD1 H 8.365 -4.201 4.855 1.00 . A A . 56 PHE HD1 1 1 20 19476 1 1 56 PHE HD2 H 4.307 -3.995 3.421 1.00 . A A . 56 PHE HD2 1 1 20 19477 1 1 56 PHE HE1 H 7.914 -6.415 5.808 1.00 . A A . 56 PHE HE1 1 1 20 19478 1 1 56 PHE HE2 H 3.853 -6.202 4.412 1.00 . A A . 56 PHE HE2 1 1 20 19479 1 1 56 PHE HZ H 5.652 -7.428 5.605 1.00 . A A . 56 PHE HZ 1 1 20 19480 1 1 56 PHE N N 8.596 -1.509 2.311 1.00 . A A . 56 PHE N 1 1 20 19481 1 1 56 PHE O O 6.560 -1.644 0.346 1.00 . A A . 56 PHE O 1 1 20 19482 1 1 57 CYS C C 4.990 -5.385 -0.521 1.00 . A A . 57 CYS C 1 1 20 19483 1 1 57 CYS CA C 5.831 -4.140 -0.638 1.00 . A A . 57 CYS CA 1 1 20 19484 1 1 57 CYS CB C 6.972 -4.378 -1.648 1.00 . A A . 57 CYS CB 1 1 20 19485 1 1 57 CYS H H 6.569 -4.662 1.225 1.00 . A A . 57 CYS H 1 1 20 19486 1 1 57 CYS HA H 5.188 -3.324 -0.939 1.00 . A A . 57 CYS HA 1 1 20 19487 1 1 57 CYS HB2 H 7.715 -3.568 -1.488 1.00 . A A . 57 CYS HB2 1 1 20 19488 1 1 57 CYS HB3 H 7.483 -5.333 -1.393 1.00 . A A . 57 CYS HB3 1 1 20 19489 1 1 57 CYS N N 6.401 -3.865 0.651 1.00 . A A . 57 CYS N 1 1 20 19490 1 1 57 CYS O O 5.404 -6.374 0.080 1.00 . A A . 57 CYS O 1 1 20 19491 1 1 57 CYS SG S 6.482 -4.354 -3.399 1.00 . A A . 57 CYS SG 1 1 20 19492 1 1 58 TYR C C 2.154 -6.695 -2.331 1.00 . A A . 58 TYR C 1 1 20 19493 1 1 58 TYR CA C 2.889 -6.497 -1.028 1.00 . A A . 58 TYR CA 1 1 20 19494 1 1 58 TYR CB C 1.836 -6.283 0.079 1.00 . A A . 58 TYR CB 1 1 20 19495 1 1 58 TYR CD1 C 2.777 -7.612 1.972 1.00 . A A . 58 TYR CD1 1 1 20 19496 1 1 58 TYR CD2 C 0.766 -8.426 0.908 1.00 . A A . 58 TYR CD2 1 1 20 19497 1 1 58 TYR CE1 C 2.737 -8.680 2.873 1.00 . A A . 58 TYR CE1 1 1 20 19498 1 1 58 TYR CE2 C 0.733 -9.507 1.796 1.00 . A A . 58 TYR CE2 1 1 20 19499 1 1 58 TYR CG C 1.783 -7.462 0.998 1.00 . A A . 58 TYR CG 1 1 20 19500 1 1 58 TYR CZ C 1.714 -9.630 2.787 1.00 . A A . 58 TYR CZ 1 1 20 19501 1 1 58 TYR H H 3.374 -4.510 -1.404 1.00 . A A . 58 TYR H 1 1 20 19502 1 1 58 TYR HA H 3.455 -7.403 -0.857 1.00 . A A . 58 TYR HA 1 1 20 19503 1 1 58 TYR HB2 H 2.136 -5.392 0.670 1.00 . A A . 58 TYR HB2 1 1 20 19504 1 1 58 TYR HB3 H 0.826 -6.098 -0.336 1.00 . A A . 58 TYR HB3 1 1 20 19505 1 1 58 TYR HD1 H 3.581 -6.896 2.039 1.00 . A A . 58 TYR HD1 1 1 20 19506 1 1 58 TYR HD2 H -0.028 -8.335 0.185 1.00 . A A . 58 TYR HD2 1 1 20 19507 1 1 58 TYR HE1 H 3.504 -8.743 3.627 1.00 . A A . 58 TYR HE1 1 1 20 19508 1 1 58 TYR HE2 H -0.078 -10.212 1.711 1.00 . A A . 58 TYR HE2 1 1 20 19509 1 1 58 TYR HH H 0.995 -11.314 3.396 1.00 . A A . 58 TYR HH 1 1 20 19510 1 1 58 TYR N N 3.762 -5.352 -1.056 1.00 . A A . 58 TYR N 1 1 20 19511 1 1 58 TYR O O 2.020 -5.805 -3.166 1.00 . A A . 58 TYR O 1 1 20 19512 1 1 58 TYR OH O 1.668 -10.695 3.704 1.00 . A A . 58 TYR OH 1 1 20 19513 1 1 59 LYS C C -0.799 -7.533 -2.925 1.00 . A A . 59 LYS C 1 1 20 19514 1 1 59 LYS CA C 0.474 -8.322 -3.235 1.00 . A A . 59 LYS CA 1 1 20 19515 1 1 59 LYS CB C 0.247 -9.841 -3.079 1.00 . A A . 59 LYS CB 1 1 20 19516 1 1 59 LYS CD C 1.295 -12.155 -3.401 1.00 . A A . 59 LYS CD 1 1 20 19517 1 1 59 LYS CE C 2.579 -12.877 -3.811 1.00 . A A . 59 LYS CE 1 1 20 19518 1 1 59 LYS CG C 1.416 -10.650 -3.659 1.00 . A A . 59 LYS CG 1 1 20 19519 1 1 59 LYS H H 1.940 -8.585 -1.805 1.00 . A A . 59 LYS H 1 1 20 19520 1 1 59 LYS HA H 0.678 -8.128 -4.279 1.00 . A A . 59 LYS HA 1 1 20 19521 1 1 59 LYS HB2 H 0.126 -10.085 -2.003 1.00 . A A . 59 LYS HB2 1 1 20 19522 1 1 59 LYS HB3 H -0.689 -10.150 -3.593 1.00 . A A . 59 LYS HB3 1 1 20 19523 1 1 59 LYS HD2 H 1.115 -12.310 -2.312 1.00 . A A . 59 LYS HD2 1 1 20 19524 1 1 59 LYS HD3 H 0.426 -12.564 -3.963 1.00 . A A . 59 LYS HD3 1 1 20 19525 1 1 59 LYS HE2 H 2.705 -12.866 -4.913 1.00 . A A . 59 LYS HE2 1 1 20 19526 1 1 59 LYS HE3 H 3.447 -12.373 -3.337 1.00 . A A . 59 LYS HE3 1 1 20 19527 1 1 59 LYS HG2 H 1.489 -10.470 -4.755 1.00 . A A . 59 LYS HG2 1 1 20 19528 1 1 59 LYS HG3 H 2.382 -10.320 -3.217 1.00 . A A . 59 LYS HG3 1 1 20 19529 1 1 59 LYS HZ1 H 3.488 -14.723 -3.601 1.00 . A A . 59 LYS HZ1 1 1 20 19530 1 1 59 LYS HZ2 H 1.803 -14.797 -3.821 1.00 . A A . 59 LYS HZ2 1 1 20 19531 1 1 59 LYS HZ3 H 2.448 -14.306 -2.323 1.00 . A A . 59 LYS HZ3 1 1 20 19532 1 1 59 LYS N N 1.653 -7.927 -2.488 1.00 . A A . 59 LYS N 1 1 20 19533 1 1 59 LYS NZ N 2.577 -14.280 -3.356 1.00 . A A . 59 LYS NZ 1 1 20 19534 1 1 59 LYS O O -0.927 -6.845 -1.910 1.00 . A A . 59 LYS O 1 1 20 19535 1 1 60 ALA C C -3.973 -8.130 -2.781 1.00 . A A . 60 ALA C 1 1 20 19536 1 1 60 ALA CA C -3.125 -7.131 -3.541 1.00 . A A . 60 ALA CA 1 1 20 19537 1 1 60 ALA CB C -3.796 -6.779 -4.870 1.00 . A A . 60 ALA CB 1 1 20 19538 1 1 60 ALA H H -1.735 -8.222 -4.620 1.00 . A A . 60 ALA H 1 1 20 19539 1 1 60 ALA HA H -3.049 -6.238 -2.938 1.00 . A A . 60 ALA HA 1 1 20 19540 1 1 60 ALA HB1 H -4.798 -6.330 -4.712 1.00 . A A . 60 ALA HB1 1 1 20 19541 1 1 60 ALA HB2 H -3.891 -7.693 -5.495 1.00 . A A . 60 ALA HB2 1 1 20 19542 1 1 60 ALA HB3 H -3.148 -6.060 -5.414 1.00 . A A . 60 ALA HB3 1 1 20 19543 1 1 60 ALA N N -1.814 -7.662 -3.794 1.00 . A A . 60 ALA N 1 1 20 19544 1 1 60 ALA O O -4.037 -9.318 -3.078 1.00 . A A . 60 ALA O 1 1 20 19545 1 1 61 CYS C C -6.767 -8.839 -1.156 1.00 . A A . 61 CYS C 1 1 20 19546 1 1 61 CYS CA C -5.338 -8.497 -0.779 1.00 . A A . 61 CYS CA 1 1 20 19547 1 1 61 CYS CB C -5.319 -7.830 0.620 1.00 . A A . 61 CYS CB 1 1 20 19548 1 1 61 CYS H H -4.614 -6.684 -1.527 1.00 . A A . 61 CYS H 1 1 20 19549 1 1 61 CYS HA H -4.807 -9.433 -0.723 1.00 . A A . 61 CYS HA 1 1 20 19550 1 1 61 CYS HB2 H -5.720 -8.531 1.383 1.00 . A A . 61 CYS HB2 1 1 20 19551 1 1 61 CYS HB3 H -4.258 -7.631 0.881 1.00 . A A . 61 CYS HB3 1 1 20 19552 1 1 61 CYS N N -4.662 -7.651 -1.740 1.00 . A A . 61 CYS N 1 1 20 19553 1 1 61 CYS O O -7.610 -9.090 -0.300 1.00 . A A . 61 CYS O 1 1 20 19554 1 1 61 CYS SG S -6.231 -6.258 0.722 1.00 . A A . 61 CYS SG 1 1 20 19555 1 1 62 HIS C C -8.785 -10.653 -2.772 1.00 . A A . 62 HIS C 1 1 20 19556 1 1 62 HIS CA C -8.445 -9.175 -2.900 1.00 . A A . 62 HIS CA 1 1 20 19557 1 1 62 HIS CB C -8.718 -8.778 -4.369 1.00 . A A . 62 HIS CB 1 1 20 19558 1 1 62 HIS CD2 C -8.198 -6.245 -3.979 1.00 . A A . 62 HIS CD2 1 1 20 19559 1 1 62 HIS CE1 C -9.018 -5.519 -5.869 1.00 . A A . 62 HIS CE1 1 1 20 19560 1 1 62 HIS CG C -8.675 -7.309 -4.668 1.00 . A A . 62 HIS CG 1 1 20 19561 1 1 62 HIS H H -6.359 -8.717 -3.123 1.00 . A A . 62 HIS H 1 1 20 19562 1 1 62 HIS HA H -9.137 -8.624 -2.276 1.00 . A A . 62 HIS HA 1 1 20 19563 1 1 62 HIS HB2 H -8.021 -9.292 -5.055 1.00 . A A . 62 HIS HB2 1 1 20 19564 1 1 62 HIS HB3 H -9.734 -9.116 -4.652 1.00 . A A . 62 HIS HB3 1 1 20 19565 1 1 62 HIS HD1 H -9.606 -7.384 -6.562 1.00 . A A . 62 HIS HD1 1 1 20 19566 1 1 62 HIS HD2 H -7.721 -6.206 -3.007 1.00 . A A . 62 HIS HD2 1 1 20 19567 1 1 62 HIS HE1 H -9.334 -4.881 -6.665 1.00 . A A . 62 HIS HE1 1 1 20 19568 1 1 62 HIS HE2 H -8.189 -4.192 -4.508 1.00 . A A . 62 HIS HE2 1 1 20 19569 1 1 62 HIS N N -7.089 -8.873 -2.459 1.00 . A A . 62 HIS N 1 1 20 19570 1 1 62 HIS ND1 N -9.176 -6.832 -5.846 1.00 . A A . 62 HIS ND1 1 1 20 19571 1 1 62 HIS NE2 N -8.424 -5.136 -4.748 1.00 . A A . 62 HIS NE2 1 1 20 19572 1 1 62 HIS O O -9.879 -11.014 -2.347 1.00 . A A . 62 HIS O 1 1 20 19573 1 1 63 ASN C C -6.577 -13.409 -3.663 1.00 . A A . 63 ASN C 1 1 20 19574 1 1 63 ASN CA C -7.965 -12.943 -3.271 1.00 . A A . 63 ASN CA 1 1 20 19575 1 1 63 ASN CB C -9.078 -13.384 -4.264 1.00 . A A . 63 ASN CB 1 1 20 19576 1 1 63 ASN CG C -9.073 -12.633 -5.595 1.00 . A A . 63 ASN CG 1 1 20 19577 1 1 63 ASN H H -6.916 -11.270 -3.411 1.00 . A A . 63 ASN H 1 1 20 19578 1 1 63 ASN HA H -8.150 -13.334 -2.292 1.00 . A A . 63 ASN HA 1 1 20 19579 1 1 63 ASN HB2 H -9.089 -14.471 -4.420 1.00 . A A . 63 ASN HB2 1 1 20 19580 1 1 63 ASN HB3 H -10.043 -13.135 -3.776 1.00 . A A . 63 ASN HB3 1 1 20 19581 1 1 63 ASN HD21 H -7.340 -13.493 -6.338 1.00 . A A . 63 ASN HD21 1 1 20 19582 1 1 63 ASN HD22 H -8.154 -12.386 -7.376 1.00 . A A . 63 ASN HD22 1 1 20 19583 1 1 63 ASN N N -7.840 -11.527 -3.160 1.00 . A A . 63 ASN N 1 1 20 19584 1 1 63 ASN ND2 N -8.130 -12.904 -6.522 1.00 . A A . 63 ASN ND2 1 1 20 19585 1 1 63 ASN O O -5.660 -12.594 -3.779 1.00 . A A . 63 ASN O 1 1 20 19586 1 1 63 ASN OD1 O -9.936 -11.772 -5.798 1.00 . A A . 63 ASN OD1 1 1 20 19587 1 1 64 SER C C -4.792 -14.824 -5.763 1.00 . A A . 64 SER C 1 1 20 19588 1 1 64 SER CA C -5.139 -15.303 -4.358 1.00 . A A . 64 SER CA 1 1 20 19589 1 1 64 SER CB C -5.164 -16.851 -4.308 1.00 . A A . 64 SER CB 1 1 20 19590 1 1 64 SER H H -7.138 -15.341 -3.648 1.00 . A A . 64 SER H 1 1 20 19591 1 1 64 SER HA H -4.346 -14.961 -3.704 1.00 . A A . 64 SER HA 1 1 20 19592 1 1 64 SER HB2 H -5.618 -17.164 -3.338 1.00 . A A . 64 SER HB2 1 1 20 19593 1 1 64 SER HB3 H -5.805 -17.244 -5.125 1.00 . A A . 64 SER HB3 1 1 20 19594 1 1 64 SER HG H -3.965 -18.371 -4.382 1.00 . A A . 64 SER HG 1 1 20 19595 1 1 64 SER N N -6.389 -14.721 -3.874 1.00 . A A . 64 SER N 1 1 20 19596 1 1 64 SER O O -5.598 -14.170 -6.422 1.00 . A A . 64 SER O 1 1 20 19597 1 1 64 SER OG O -3.855 -17.411 -4.404 1.00 . A A . 64 SER OG 1 1 20 19598 1 1 65 GLU C C -3.794 -14.543 -8.660 1.00 . A A . 65 GLU C 1 1 20 19599 1 1 65 GLU CA C -2.954 -14.452 -7.399 1.00 . A A . 65 GLU CA 1 1 20 19600 1 1 65 GLU CB C -1.493 -14.895 -7.695 1.00 . A A . 65 GLU CB 1 1 20 19601 1 1 65 GLU CD C -0.628 -15.799 -5.469 1.00 . A A . 65 GLU CD 1 1 20 19602 1 1 65 GLU CG C -0.500 -14.705 -6.521 1.00 . A A . 65 GLU CG 1 1 20 19603 1 1 65 GLU H H -3.033 -15.819 -5.800 1.00 . A A . 65 GLU H 1 1 20 19604 1 1 65 GLU HA H -2.923 -13.402 -7.161 1.00 . A A . 65 GLU HA 1 1 20 19605 1 1 65 GLU HB2 H -1.461 -15.947 -8.043 1.00 . A A . 65 GLU HB2 1 1 20 19606 1 1 65 GLU HB3 H -1.117 -14.277 -8.542 1.00 . A A . 65 GLU HB3 1 1 20 19607 1 1 65 GLU HE2 H -0.420 -16.088 -3.579 1.00 . A A . 65 GLU HE2 1 1 20 19608 1 1 65 GLU HG2 H 0.537 -14.755 -6.917 1.00 . A A . 65 GLU HG2 1 1 20 19609 1 1 65 GLU HG3 H -0.646 -13.709 -6.054 1.00 . A A . 65 GLU HG3 1 1 20 19610 1 1 65 GLU N N -3.563 -15.103 -6.247 1.00 . A A . 65 GLU N 1 1 20 19611 1 1 65 GLU O O -4.093 -13.528 -9.292 1.00 . A A . 65 GLU O 1 1 20 19612 1 1 65 GLU OE1 O -0.982 -16.950 -5.659 1.00 . A A . 65 GLU OE1 1 1 20 19613 1 1 65 GLU OE2 O -0.299 -15.359 -4.213 1.00 . A A . 65 GLU OE2 1 1 20 19614 1 1 66 ILE C C -6.687 -15.815 -9.420 1.00 . A A . 66 ILE C 1 1 20 19615 1 1 66 ILE CA C -5.280 -15.956 -10.007 1.00 . A A . 66 ILE CA 1 1 20 19616 1 1 66 ILE CB C -5.061 -17.170 -10.905 1.00 . A A . 66 ILE CB 1 1 20 19617 1 1 66 ILE CD1 C -5.768 -18.100 -13.194 1.00 . A A . 66 ILE CD1 1 1 20 19618 1 1 66 ILE CG1 C -6.019 -17.065 -12.104 1.00 . A A . 66 ILE CG1 1 1 20 19619 1 1 66 ILE CG2 C -5.111 -18.552 -10.218 1.00 . A A . 66 ILE CG2 1 1 20 19620 1 1 66 ILE H H -3.904 -16.566 -8.527 1.00 . A A . 66 ILE H 1 1 20 19621 1 1 66 ILE HA H -5.205 -15.135 -10.698 1.00 . A A . 66 ILE HA 1 1 20 19622 1 1 66 ILE HB H -4.019 -17.061 -11.290 1.00 . A A . 66 ILE HB 1 1 20 19623 1 1 66 ILE HD11 H -6.385 -17.876 -14.092 1.00 . A A . 66 ILE HD11 1 1 20 19624 1 1 66 ILE HD12 H -6.032 -19.116 -12.840 1.00 . A A . 66 ILE HD12 1 1 20 19625 1 1 66 ILE HD13 H -4.700 -18.096 -13.489 1.00 . A A . 66 ILE HD13 1 1 20 19626 1 1 66 ILE HG12 H -7.068 -17.150 -11.749 1.00 . A A . 66 ILE HG12 1 1 20 19627 1 1 66 ILE HG13 H -5.887 -16.046 -12.532 1.00 . A A . 66 ILE HG13 1 1 20 19628 1 1 66 ILE HG21 H -4.639 -19.299 -10.891 1.00 . A A . 66 ILE HG21 1 1 20 19629 1 1 66 ILE HG22 H -6.152 -18.889 -10.044 1.00 . A A . 66 ILE HG22 1 1 20 19630 1 1 66 ILE HG23 H -4.536 -18.554 -9.273 1.00 . A A . 66 ILE HG23 1 1 20 19631 1 1 66 ILE N N -4.230 -15.761 -9.028 1.00 . A A . 66 ILE N 1 1 20 19632 1 1 66 ILE O O -7.352 -14.794 -9.601 1.00 . A A . 66 ILE O 1 1 20 19633 1 1 67 GLU C C -8.031 -17.307 -6.484 1.00 . A A . 67 GLU C 1 1 20 19634 1 1 67 GLU CA C -8.375 -16.758 -7.879 1.00 . A A . 67 GLU CA 1 1 20 19635 1 1 67 GLU CB C -9.455 -17.668 -8.509 1.00 . A A . 67 GLU CB 1 1 20 19636 1 1 67 GLU CD C -10.865 -18.191 -10.537 1.00 . A A . 67 GLU CD 1 1 20 19637 1 1 67 GLU CG C -9.981 -17.147 -9.866 1.00 . A A . 67 GLU CG 1 1 20 19638 1 1 67 GLU H H -6.607 -17.613 -8.406 1.00 . A A . 67 GLU H 1 1 20 19639 1 1 67 GLU HA H -8.727 -15.740 -7.774 1.00 . A A . 67 GLU HA 1 1 20 19640 1 1 67 GLU HB2 H -9.008 -18.680 -8.644 1.00 . A A . 67 GLU HB2 1 1 20 19641 1 1 67 GLU HB3 H -10.308 -17.759 -7.799 1.00 . A A . 67 GLU HB3 1 1 20 19642 1 1 67 GLU HE2 H -12.639 -18.886 -10.514 1.00 . A A . 67 GLU HE2 1 1 20 19643 1 1 67 GLU HG2 H -10.555 -16.209 -9.713 1.00 . A A . 67 GLU HG2 1 1 20 19644 1 1 67 GLU HG3 H -9.135 -16.934 -10.552 1.00 . A A . 67 GLU HG3 1 1 20 19645 1 1 67 GLU N N -7.144 -16.804 -8.628 1.00 . A A . 67 GLU N 1 1 20 19646 1 1 67 GLU O O -7.414 -18.409 -6.433 1.00 . A A . 67 GLU O 1 1 20 19647 1 1 67 GLU OXT O -8.340 -16.631 -5.464 1.00 . A A . 67 GLU OXT 1 1 20 19648 1 1 67 GLU OE1 O -10.523 -18.980 -11.399 1.00 . A A . 67 GLU OE1 1 1 20 19649 1 1 67 GLU OE2 O -12.160 -18.191 -10.068 1.00 . A A . 67 GLU OE2 1 1 20 19650 2 2 1 CL CL CL 0.608 12.218 12.492 1.00 . B A . 68 CL CL 1 1 20 19651 3 2 1 CL CL CL -1.715 2.253 -10.057 1.00 . C A . 69 CL CL 1 1 20 19652 4 2 1 CL CL CL -5.361 -7.853 4.764 1.00 . D A . 70 CL CL 1 1 20 19653 5 2 1 CL CL CL -8.186 -2.986 -0.402 1.00 . E A . 71 CL CL 1 1 20 19654 6 2 1 CL CL CL 5.262 -16.658 -3.844 1.00 . F A . 72 CL CL 1 1 20 19655 7 2 1 CL CL CL 9.813 -0.629 7.120 1.00 . G A . 73 CL CL 1 1 20 19656 8 2 1 CL CL CL -0.322 -0.731 6.216 1.00 . H A . 74 CL CL 1 1 20 19657 9 2 1 CL CL CL 10.810 -6.367 9.130 1.00 . I A . 75 CL CL 1 1 20 19658 10 2 1 CL CL CL 8.177 3.205 -14.578 1.00 . J A . 76 CL CL 1 1 20 19659 11 2 1 CL CL CL 2.634 -14.383 0.376 1.00 . K A . 77 CL CL 1 1 20 19660 12 2 1 CL CL CL -0.479 12.135 -5.347 1.00 . L A . 78 CL CL 1 1 stop_ save_
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