NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
369819 | 1bhi | 4216 | cing | 4-filtered-FRED | STAR | entry | full | 413 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1bhi # This FRED archive file contains, for PDB entry <1bhi>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend, # JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with # curated sets of experimental NMR restraints for over 4,000 protein and nucleic # acid PDB entries. (in preparation) save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_1bhi _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1bhi _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all free" _Assembly.Molecular_mass 4325.89 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 $CRE_BP1 A . 1 1 stop_ save_ save_CRE_BP1 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "CRE BP1" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code MSDDKPFLCTAPGCGQRFTNEDHLAVHKHKHEMTLKFG _Entity.Number_of_monomers 38 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 MET . 1 1 2 SER . 1 1 3 ASP . 1 1 4 ASP . 1 1 5 LYS . 1 1 6 PRO . 1 1 7 PHE . 1 1 8 LEU . 1 1 9 CYS . 1 1 10 THR . 1 1 11 ALA . 1 1 12 PRO . 1 1 13 GLY . 1 1 14 CYS . 1 1 15 GLY . 1 1 16 GLN . 1 1 17 ARG . 1 1 18 PHE . 1 1 19 THR . 1 1 20 ASN . 1 1 21 GLU . 1 1 22 ASP . 1 1 23 HIS . 1 1 24 LEU . 1 1 25 ALA . 1 1 26 VAL . 1 1 27 HIS . 1 1 28 LYS . 1 1 29 HIS . 1 1 30 LYS . 1 1 31 HIS . 1 1 32 GLU . 1 1 33 MET . 1 1 34 THR . 1 1 35 LEU . 1 1 36 LYS . 1 1 37 PHE . 1 1 38 GLY . 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID MET 1 1 1 1 SER 2 2 1 1 ASP 3 3 1 1 ASP 4 4 1 1 LYS 5 5 1 1 PRO 6 6 1 1 PHE 7 7 1 1 LEU 8 8 1 1 CYS 9 9 1 1 THR 10 10 1 1 ALA 11 11 1 1 PRO 12 12 1 1 GLY 13 13 1 1 CYS 14 14 1 1 GLY 15 15 1 1 GLN 16 16 1 1 ARG 17 17 1 1 PHE 18 18 1 1 THR 19 19 1 1 ASN 20 20 1 1 GLU 21 21 1 1 ASP 22 22 1 1 HIS 23 23 1 1 LEU 24 24 1 1 ALA 25 25 1 1 VAL 26 26 1 1 HIS 27 27 1 1 LYS 28 28 1 1 HIS 29 29 1 1 LYS 30 30 1 1 HIS 31 31 1 1 GLU 32 32 1 1 MET 33 33 1 1 THR 34 34 1 1 LEU 35 35 1 1 LYS 36 36 1 1 PHE 37 37 1 1 GLY 38 38 1 1 stop_ save_ save_Emboss_distance_constraints_3_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 1 . . . 1 1 196 1 . . . 1 1 197 1 . . . 1 1 198 1 . . . 1 1 199 1 . . . 1 1 200 1 . . . 1 1 201 1 . . . 1 1 202 1 . . . 1 1 203 1 . . . 1 1 204 1 . . . 1 1 205 1 . . . 1 1 206 1 . . . 1 1 207 1 . . . 1 1 208 1 . . . 1 1 209 1 . . . 1 1 210 1 . . . 1 1 211 1 . . . 1 1 212 1 . . . 1 1 213 1 . . . 1 1 214 1 . . . 1 1 215 1 . . . 1 1 216 1 . . . 1 1 217 1 . . . 1 1 218 1 . . . 1 1 219 1 . . . 1 1 220 1 . . . 1 1 221 1 . . . 1 1 222 1 . . . 1 1 223 1 . . . 1 1 224 1 . . . 1 1 225 1 . . . 1 1 226 1 . . . 1 1 227 1 . . . 1 1 228 1 . . . 1 1 229 1 . . . 1 1 230 1 . . . 1 1 231 1 . . . 1 1 232 1 . . . 1 1 233 1 . . . 1 1 234 1 . . . 1 1 235 1 . . . 1 1 236 1 . . . 1 1 237 1 . . . 1 1 238 1 . . . 1 1 239 1 . . . 1 1 240 1 . . . 1 1 241 1 . . . 1 1 242 1 . . . 1 1 243 1 . . . 1 1 244 1 . . . 1 1 245 1 . . . 1 1 246 1 . . . 1 1 247 1 . . . 1 1 248 1 . . . 1 1 249 1 . . . 1 1 250 1 . . . 1 1 251 1 . . . 1 1 252 1 . . . 1 1 253 1 . . . 1 1 254 1 . . . 1 1 255 1 . . . 1 1 256 1 . . . 1 1 257 1 . . . 1 1 258 1 . . . 1 1 259 1 . . . 1 1 260 1 . . . 1 1 261 1 . . . 1 1 262 1 . . . 1 1 263 1 . . . 1 1 264 1 . . . 1 1 265 1 . . . 1 1 266 1 . . . 1 1 267 1 . . . 1 1 268 1 . . . 1 1 269 1 . . . 1 1 270 1 . . . 1 1 271 1 . . . 1 1 272 1 . . . 1 1 273 1 . . . 1 1 274 1 . . . 1 1 275 1 . . . 1 1 276 1 . . . 1 1 277 1 . . . 1 1 278 1 . . . 1 1 279 1 . . . 1 1 280 1 . . . 1 1 281 1 . . . 1 1 282 1 . . . 1 1 283 1 . . . 1 1 284 1 . . . 1 1 285 1 . . . 1 1 286 1 . . . 1 1 287 1 . . . 1 1 288 1 . . . 1 1 289 1 . . . 1 1 290 1 . . . 1 1 291 1 . . . 1 1 292 1 . . . 1 1 293 1 . . . 1 1 294 1 . . . 1 1 295 1 . . . 1 1 296 1 . . . 1 1 297 1 . . . 1 1 298 1 . . . 1 1 299 1 . . . 1 1 300 1 . . . 1 1 301 1 . . . 1 1 302 1 . . . 1 1 303 1 . . . 1 1 304 1 . . . 1 1 305 1 . . . 1 1 306 1 . . . 1 1 307 1 . . . 1 1 308 1 . . . 1 1 309 1 . . . 1 1 310 1 . . . 1 1 311 1 . . . 1 1 312 1 . . . 1 1 313 1 . . . 1 1 314 1 . . . 1 1 315 1 . . . 1 1 316 1 . . . 1 1 317 1 . . . 1 1 318 1 . . . 1 1 319 1 . . . 1 1 320 1 . . . 1 1 321 1 . . . 1 1 322 1 . . . 1 1 323 1 . . . 1 1 324 1 . . . 1 1 325 1 . . . 1 1 326 1 . . . 1 1 327 1 . . . 1 1 328 1 . . . 1 1 329 1 . . . 1 1 330 1 . . . 1 1 331 1 . . . 1 1 332 1 . . . 1 1 333 1 . . . 1 1 334 1 . . . 1 1 335 1 . . . 1 1 336 1 . . . 1 1 337 1 . . . 1 1 338 1 . . . 1 1 339 1 . . . 1 1 340 1 . . . 1 1 341 1 . . . 1 1 342 1 . . . 1 1 343 1 . . . 1 1 344 1 . . . 1 1 345 1 . . . 1 1 346 1 . . . 1 1 347 1 . . . 1 1 348 1 . . . 1 1 349 1 . . . 1 1 350 1 . . . 1 1 351 1 . . . 1 1 352 1 . . . 1 1 353 1 . . . 1 1 354 1 . . . 1 1 355 1 . . . 1 1 356 1 . . . 1 1 357 1 . . . 1 1 358 1 . . . 1 1 359 1 . . . 1 1 360 1 . . . 1 1 361 1 . . . 1 1 362 1 . . . 1 1 363 1 . . . 1 1 364 1 . . . 1 1 365 1 . . . 1 1 366 1 . . . 1 1 367 1 . . . 1 1 368 1 . . . 1 1 369 1 . . . 1 1 370 1 . . . 1 1 371 1 . . . 1 1 372 1 . . . 1 1 373 1 . . . 1 1 374 1 . . . 1 1 375 1 . . . 1 1 376 1 . . . 1 1 377 1 . . . 1 1 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 6 PRO HA 1 6 PRO HA 1 1 1 1 2 1 1 7 PHE H 1 7 PHE HN 1 1 2 1 1 1 1 7 PHE HA 1 7 PHE HA 1 1 2 1 2 1 1 8 LEU H 1 8 LEU HN 1 1 3 1 1 1 1 8 LEU HA 1 8 LEU HA 1 1 3 1 2 1 1 9 CYS H 1 9 CYS HN 1 1 4 1 1 1 1 12 PRO HA 1 12 PRO HA 1 1 4 1 2 1 1 13 GLY H 1 13 GLY HN 1 1 5 1 1 1 1 13 GLY QA 1 13 GLY HA* 1 1 5 1 2 1 1 14 CYS H 1 14 CYS HN 1 1 6 1 1 1 1 14 CYS HA 1 14 CYS HA 1 1 6 1 2 1 1 15 GLY H 1 15 GLY HN 1 1 7 1 1 1 1 15 GLY QA 1 15 GLY HA* 1 1 7 1 2 1 1 16 GLN H 1 16 GLN HN 1 1 8 1 1 1 1 16 GLN HA 1 16 GLN HA 1 1 8 1 2 1 1 17 ARG H 1 17 ARG+ HN 1 1 9 1 1 1 1 17 ARG HA 1 17 ARG+ HA 1 1 9 1 2 1 1 18 PHE H 1 18 PHE HN 1 1 10 1 1 1 1 18 PHE HA 1 18 PHE HA 1 1 10 1 2 1 1 19 THR H 1 19 THR HN 1 1 11 1 1 1 1 19 THR HA 1 19 THR HA 1 1 11 1 2 1 1 20 ASN H 1 20 ASN HN 1 1 12 1 1 1 1 20 ASN HA 1 20 ASN HA 1 1 12 1 2 1 1 21 GLU H 1 21 GLU- HN 1 1 13 1 1 1 1 21 GLU HA 1 21 GLU- HA 1 1 13 1 2 1 1 22 ASP H 1 22 ASP- HN 1 1 14 1 1 1 1 22 ASP HA 1 22 ASP- HA 1 1 14 1 2 1 1 23 HIS H 1 23 HIS HN 1 1 15 1 1 1 1 23 HIS HA 1 23 HIS HA 1 1 15 1 2 1 1 24 LEU H 1 24 LEU HN 1 1 16 1 1 1 1 24 LEU HA 1 24 LEU HA 1 1 16 1 2 1 1 25 ALA H 1 25 ALA HN 1 1 17 1 1 1 1 25 ALA HA 1 25 ALA HA 1 1 17 1 2 1 1 26 VAL H 1 26 VAL HN 1 1 18 1 1 1 1 26 VAL HA 1 26 VAL HA 1 1 18 1 2 1 1 27 HIS H 1 27 HIS HN 1 1 19 1 1 1 1 27 HIS HA 1 27 HIS HA 1 1 19 1 2 1 1 28 LYS H 1 28 LYS+ HN 1 1 20 1 1 1 1 28 LYS HA 1 28 LYS+ HA 1 1 20 1 2 1 1 29 HIS H 1 29 HIS HN 1 1 21 1 1 1 1 29 HIS HA 1 29 HIS HA 1 1 21 1 2 1 1 30 LYS H 1 30 LYS+ HN 1 1 22 1 1 1 1 30 LYS HA 1 30 LYS+ HA 1 1 22 1 2 1 1 31 HIS H 1 31 HIS HN 1 1 23 1 1 1 1 31 HIS HA 1 31 HIS HA 1 1 23 1 2 1 1 32 GLU H 1 32 GLU- HN 1 1 24 1 1 1 1 32 GLU HA 1 32 GLU- HA 1 1 24 1 2 1 1 33 MET H 1 33 MET HN 1 1 25 1 1 1 1 33 MET HA 1 33 MET HA 1 1 25 1 2 1 1 34 THR H 1 34 THR HN 1 1 26 1 1 1 1 34 THR HA 1 34 THR HA 1 1 26 1 2 1 1 35 LEU H 1 35 LEU HN 1 1 27 1 1 1 1 35 LEU HA 1 35 LEU HA 1 1 27 1 2 1 1 36 LYS H 1 36 LYS+ HN 1 1 28 1 1 1 1 36 LYS HA 1 36 LYS+ HA 1 1 28 1 2 1 1 37 PHE H 1 37 PHE HN 1 1 29 1 1 1 1 37 PHE HA 1 37 PHE HA 1 1 29 1 2 1 1 38 GLY H 1 38 GLY HN 1 1 30 1 1 1 1 14 CYS H 1 14 CYS HN 1 1 30 1 2 1 1 15 GLY QA 1 15 GLY HA* 1 1 31 1 1 1 1 16 GLN H 1 16 GLN HN 1 1 31 1 2 1 1 17 ARG HA 1 17 ARG+ HA 1 1 32 1 1 1 1 20 ASN H 1 20 ASN HN 1 1 32 1 2 1 1 21 GLU HA 1 21 GLU- HA 1 1 33 1 1 1 1 21 GLU H 1 21 GLU- HN 1 1 33 1 2 1 1 22 ASP HA 1 22 ASP- HA 1 1 34 1 1 1 1 24 LEU H 1 24 LEU HN 1 1 34 1 2 1 1 25 ALA HA 1 25 ALA HA 1 1 35 1 1 1 1 25 ALA H 1 25 ALA HN 1 1 35 1 2 1 1 26 VAL HA 1 26 VAL HA 1 1 36 1 1 1 1 26 VAL H 1 26 VAL HN 1 1 36 1 2 1 1 27 HIS HA 1 27 HIS HA 1 1 37 1 1 1 1 28 LYS H 1 28 LYS+ HN 1 1 37 1 2 1 1 29 HIS HA 1 29 HIS HA 1 1 38 1 1 1 1 31 HIS H 1 31 HIS HN 1 1 38 1 2 1 1 32 GLU HA 1 32 GLU- HA 1 1 39 1 1 1 1 35 LEU H 1 35 LEU HN 1 1 39 1 2 1 1 36 LYS HA 1 36 LYS+ HA 1 1 40 1 1 1 1 7 PHE H 1 7 PHE HN 1 1 40 1 2 1 1 8 LEU H 1 8 LEU HN 1 1 41 1 1 1 1 8 LEU H 1 8 LEU HN 1 1 41 1 2 1 1 9 CYS H 1 9 CYS HN 1 1 42 1 1 1 1 13 GLY H 1 13 GLY HN 1 1 42 1 2 1 1 14 CYS H 1 14 CYS HN 1 1 43 1 1 1 1 14 CYS H 1 14 CYS HN 1 1 43 1 2 1 1 15 GLY H 1 15 GLY HN 1 1 44 1 1 1 1 15 GLY H 1 15 GLY HN 1 1 44 1 2 1 1 16 GLN H 1 16 GLN HN 1 1 45 1 1 1 1 16 GLN H 1 16 GLN HN 1 1 45 1 2 1 1 17 ARG H 1 17 ARG+ HN 1 1 46 1 1 1 1 17 ARG H 1 17 ARG+ HN 1 1 46 1 2 1 1 18 PHE H 1 18 PHE HN 1 1 47 1 1 1 1 18 PHE H 1 18 PHE HN 1 1 47 1 2 1 1 19 THR H 1 19 THR HN 1 1 48 1 1 1 1 19 THR H 1 19 THR HN 1 1 48 1 2 1 1 20 ASN H 1 20 ASN HN 1 1 49 1 1 1 1 20 ASN H 1 20 ASN HN 1 1 49 1 2 1 1 21 GLU H 1 21 GLU- HN 1 1 50 1 1 1 1 21 GLU H 1 21 GLU- HN 1 1 50 1 2 1 1 22 ASP H 1 22 ASP- HN 1 1 51 1 1 1 1 22 ASP H 1 22 ASP- HN 1 1 51 1 2 1 1 23 HIS H 1 23 HIS HN 1 1 52 1 1 1 1 23 HIS H 1 23 HIS HN 1 1 52 1 2 1 1 24 LEU H 1 24 LEU HN 1 1 53 1 1 1 1 24 LEU H 1 24 LEU HN 1 1 53 1 2 1 1 25 ALA H 1 25 ALA HN 1 1 54 1 1 1 1 25 ALA H 1 25 ALA HN 1 1 54 1 2 1 1 26 VAL H 1 26 VAL HN 1 1 55 1 1 1 1 26 VAL H 1 26 VAL HN 1 1 55 1 2 1 1 27 HIS H 1 27 HIS HN 1 1 56 1 1 1 1 27 HIS H 1 27 HIS HN 1 1 56 1 2 1 1 28 LYS H 1 28 LYS+ HN 1 1 57 1 1 1 1 28 LYS H 1 28 LYS+ HN 1 1 57 1 2 1 1 29 HIS H 1 29 HIS HN 1 1 58 1 1 1 1 29 HIS H 1 29 HIS HN 1 1 58 1 2 1 1 30 LYS H 1 30 LYS+ HN 1 1 59 1 1 1 1 30 LYS H 1 30 LYS+ HN 1 1 59 1 2 1 1 31 HIS H 1 31 HIS HN 1 1 60 1 1 1 1 31 HIS H 1 31 HIS HN 1 1 60 1 2 1 1 32 GLU H 1 32 GLU- HN 1 1 61 1 1 1 1 32 GLU H 1 32 GLU- HN 1 1 61 1 2 1 1 33 MET H 1 33 MET HN 1 1 62 1 1 1 1 36 LYS H 1 36 LYS+ HN 1 1 62 1 2 1 1 37 PHE H 1 37 PHE HN 1 1 63 1 1 1 1 6 PRO QB 1 6 PRO HB* 1 1 63 1 2 1 1 7 PHE H 1 7 PHE HN 1 1 64 1 1 1 1 7 PHE QB 1 7 PHE HB* 1 1 64 1 2 1 1 8 LEU H 1 8 LEU HN 1 1 65 1 1 1 1 8 LEU HB3 1 8 LEU HB1 1 1 65 1 2 1 1 9 CYS H 1 9 CYS HN 1 1 66 1 1 1 1 8 LEU HB2 1 8 LEU HB2 1 1 66 1 2 1 1 9 CYS H 1 9 CYS HN 1 1 67 1 1 1 1 12 PRO QB 1 12 PRO HB* 1 1 67 1 2 1 1 13 GLY H 1 13 GLY HN 1 1 68 1 1 1 1 14 CYS QB 1 14 CYS HB* 1 1 68 1 2 1 1 15 GLY H 1 15 GLY HN 1 1 69 1 1 1 1 16 GLN QB 1 16 GLN HB* 1 1 69 1 2 1 1 17 ARG H 1 17 ARG+ HN 1 1 70 1 1 1 1 17 ARG HB2 1 17 ARG+ HB2 1 1 70 1 2 1 1 18 PHE H 1 18 PHE HN 1 1 71 1 1 1 1 17 ARG HB3 1 17 ARG+ HB1 1 1 71 1 2 1 1 18 PHE H 1 18 PHE HN 1 1 72 1 1 1 1 18 PHE HB2 1 18 PHE HB1 1 1 72 1 2 1 1 19 THR H 1 19 THR HN 1 1 73 1 1 1 1 18 PHE HB3 1 18 PHE HB2 1 1 73 1 2 1 1 19 THR H 1 19 THR HN 1 1 74 1 1 1 1 19 THR HB 1 19 THR HB 1 1 74 1 2 1 1 20 ASN H 1 20 ASN HN 1 1 75 1 1 1 1 20 ASN QB 1 20 ASN HB* 1 1 75 1 2 1 1 21 GLU H 1 21 GLU- HN 1 1 76 1 1 1 1 21 GLU QB 1 21 GLU- HB* 1 1 76 1 2 1 1 22 ASP H 1 22 ASP- HN 1 1 77 1 1 1 1 22 ASP QB 1 22 ASP- HB* 1 1 77 1 2 1 1 23 HIS H 1 23 HIS HN 1 1 78 1 1 1 1 23 HIS QB 1 23 HIS HB* 1 1 78 1 2 1 1 24 LEU H 1 24 LEU HN 1 1 79 1 1 1 1 24 LEU HB2 1 24 LEU HB1 1 1 79 1 2 1 1 25 ALA H 1 25 ALA HN 1 1 80 1 1 1 1 24 LEU HB3 1 24 LEU HB2 1 1 80 1 2 1 1 25 ALA H 1 25 ALA HN 1 1 81 1 1 1 1 25 ALA MB 1 25 ALA HB* 1 1 81 1 2 1 1 26 VAL H 1 26 VAL HN 1 1 82 1 1 1 1 26 VAL HB 1 26 VAL HB 1 1 82 1 2 1 1 27 HIS H 1 27 HIS HN 1 1 83 1 1 1 1 27 HIS QB 1 27 HIS HB* 1 1 83 1 2 1 1 28 LYS H 1 28 LYS+ HN 1 1 84 1 1 1 1 28 LYS QB 1 28 LYS+ HB* 1 1 84 1 2 1 1 29 HIS H 1 29 HIS HN 1 1 85 1 1 1 1 29 HIS HB3 1 29 HIS HB2 1 1 85 1 2 1 1 30 LYS H 1 30 LYS+ HN 1 1 86 1 1 1 1 29 HIS HB2 1 29 HIS HB1 1 1 86 1 2 1 1 30 LYS H 1 30 LYS+ HN 1 1 87 1 1 1 1 30 LYS QB 1 30 LYS+ HB* 1 1 87 1 2 1 1 31 HIS H 1 31 HIS HN 1 1 88 1 1 1 1 31 HIS HB2 1 31 HIS HB1 1 1 88 1 2 1 1 32 GLU H 1 32 GLU- HN 1 1 89 1 1 1 1 31 HIS HB3 1 31 HIS HB2 1 1 89 1 2 1 1 32 GLU H 1 32 GLU- HN 1 1 90 1 1 1 1 32 GLU QB 1 32 GLU- HB* 1 1 90 1 2 1 1 33 MET H 1 33 MET HN 1 1 91 1 1 1 1 33 MET QB 1 33 MET HB* 1 1 91 1 2 1 1 34 THR H 1 34 THR HN 1 1 92 1 1 1 1 36 LYS QB 1 36 LYS+ HB* 1 1 92 1 2 1 1 37 PHE H 1 37 PHE HN 1 1 93 1 1 1 1 37 PHE QB 1 37 PHE HB* 1 1 93 1 2 1 1 38 GLY H 1 38 GLY HN 1 1 94 1 1 1 1 15 GLY H 1 15 GLY HN 1 1 94 1 2 1 1 16 GLN QB 1 16 GLN HB* 1 1 95 1 1 1 1 23 HIS H 1 23 HIS HN 1 1 95 1 2 1 1 24 LEU HB3 1 24 LEU HB2 1 1 96 1 1 1 1 26 VAL H 1 26 VAL HN 1 1 96 1 2 1 1 27 HIS QB 1 27 HIS HB* 1 1 97 1 1 1 1 28 LYS H 1 28 LYS+ HN 1 1 97 1 2 1 1 29 HIS QB 1 29 HIS HB* 1 1 98 1 1 1 1 29 HIS H 1 29 HIS HN 1 1 98 1 2 1 1 30 LYS QB 1 30 LYS+ HB* 1 1 99 1 1 1 1 31 HIS H 1 31 HIS HN 1 1 99 1 2 1 1 32 GLU QB 1 32 GLU- HB* 1 1 100 1 1 1 1 34 THR H 1 34 THR HN 1 1 100 1 2 1 1 35 LEU QB 1 35 LEU HB* 1 1 101 1 1 1 1 35 LEU H 1 35 LEU HN 1 1 101 1 2 1 1 36 LYS QB 1 36 LYS+ HB* 1 1 102 1 1 1 1 12 PRO QG 1 12 PRO HG* 1 1 102 1 2 1 1 13 GLY H 1 13 GLY HN 1 1 103 1 1 1 1 16 GLN QG 1 16 GLN HG* 1 1 103 1 2 1 1 17 ARG H 1 17 ARG+ HN 1 1 104 1 1 1 1 17 ARG QG 1 17 ARG+ HG* 1 1 104 1 2 1 1 18 PHE H 1 18 PHE HN 1 1 105 1 1 1 1 19 THR MG 1 19 THR HG2* 1 1 105 1 2 1 1 20 ASN H 1 20 ASN HN 1 1 106 1 1 1 1 21 GLU QG 1 21 GLU- HG* 1 1 106 1 2 1 1 22 ASP H 1 22 ASP- HN 1 1 107 1 1 1 1 24 LEU HG 1 24 LEU HG 1 1 107 1 2 1 1 25 ALA H 1 25 ALA HN 1 1 108 1 1 1 1 26 VAL MG2 1 26 VAL HG2* 1 1 108 1 2 1 1 27 HIS H 1 27 HIS HN 1 1 109 1 1 1 1 26 VAL MG1 1 26 VAL HG1* 1 1 109 1 2 1 1 27 HIS H 1 27 HIS HN 1 1 110 1 1 1 1 28 LYS QG 1 28 LYS+ HG* 1 1 110 1 2 1 1 29 HIS H 1 29 HIS HN 1 1 111 1 1 1 1 30 LYS QG 1 30 LYS+ HG* 1 1 111 1 2 1 1 31 HIS H 1 31 HIS HN 1 1 112 1 1 1 1 33 MET QG 1 33 MET HG* 1 1 112 1 2 1 1 34 THR H 1 34 THR HN 1 1 113 1 1 1 1 34 THR MG 1 34 THR HG2* 1 1 113 1 2 1 1 35 LEU H 1 35 LEU HN 1 1 114 1 1 1 1 36 LYS QG 1 36 LYS+ HG* 1 1 114 1 2 1 1 37 PHE H 1 37 PHE HN 1 1 115 1 1 1 1 15 GLY H 1 15 GLY HN 1 1 115 1 2 1 1 16 GLN QG 1 16 GLN HG* 1 1 116 1 1 1 1 33 MET H 1 33 MET HN 1 1 116 1 2 1 1 34 THR MG 1 34 THR HG2* 1 1 117 1 1 1 1 8 LEU QD 1 8 LEU HD* 1 1 117 1 2 1 1 9 CYS H 1 9 CYS HN 1 1 118 1 1 1 1 6 PRO QD 1 6 PRO HD* 1 1 118 1 2 1 1 7 PHE H 1 7 PHE HN 1 1 119 1 1 1 1 17 ARG QD 1 17 ARG+ HD* 1 1 119 1 2 1 1 18 PHE H 1 18 PHE HN 1 1 120 1 1 1 1 24 LEU MD1 1 24 LEU HD1* 1 1 120 1 2 1 1 25 ALA H 1 25 ALA HN 1 1 121 1 1 1 1 24 LEU MD2 1 24 LEU HD2* 1 1 121 1 2 1 1 25 ALA H 1 25 ALA HN 1 1 122 1 1 1 1 35 LEU QD 1 35 LEU HD* 1 1 122 1 2 1 1 36 LYS H 1 36 LYS+ HN 1 1 123 1 1 1 1 36 LYS QD 1 36 LYS+ HD* 1 1 123 1 2 1 1 37 PHE H 1 37 PHE HN 1 1 124 1 1 1 1 7 PHE H 1 7 PHE HN 1 1 124 1 2 1 1 8 LEU QD 1 8 LEU HD* 1 1 125 1 1 1 1 11 ALA H 1 11 ALA HN 1 1 125 1 2 1 1 12 PRO QD 1 12 PRO HD* 1 1 126 1 1 1 1 12 PRO HA 1 12 PRO HA 1 1 126 1 2 1 1 14 CYS H 1 14 CYS HN 1 1 127 1 1 1 1 14 CYS HA 1 14 CYS HA 1 1 127 1 2 1 1 16 GLN H 1 16 GLN HN 1 1 128 1 1 1 1 18 PHE HA 1 18 PHE HA 1 1 128 1 2 1 1 20 ASN H 1 20 ASN HN 1 1 129 1 1 1 1 23 HIS HA 1 23 HIS HA 1 1 129 1 2 1 1 25 ALA H 1 25 ALA HN 1 1 130 1 1 1 1 24 LEU HA 1 24 LEU HA 1 1 130 1 2 1 1 26 VAL H 1 26 VAL HN 1 1 131 1 1 1 1 25 ALA HA 1 25 ALA HA 1 1 131 1 2 1 1 27 HIS H 1 27 HIS HN 1 1 132 1 1 1 1 26 VAL HA 1 26 VAL HA 1 1 132 1 2 1 1 28 LYS H 1 28 LYS+ HN 1 1 133 1 1 1 1 27 HIS HA 1 27 HIS HA 1 1 133 1 2 1 1 29 HIS H 1 29 HIS HN 1 1 134 1 1 1 1 21 GLU H 1 21 GLU- HN 1 1 134 1 2 1 1 23 HIS H 1 23 HIS HN 1 1 135 1 1 1 1 22 ASP H 1 22 ASP- HN 1 1 135 1 2 1 1 24 LEU H 1 24 LEU HN 1 1 136 1 1 1 1 24 LEU H 1 24 LEU HN 1 1 136 1 2 1 1 26 VAL H 1 26 VAL HN 1 1 137 1 1 1 1 25 ALA H 1 25 ALA HN 1 1 137 1 2 1 1 27 HIS H 1 27 HIS HN 1 1 138 1 1 1 1 26 VAL H 1 26 VAL HN 1 1 138 1 2 1 1 28 LYS H 1 28 LYS+ HN 1 1 139 1 1 1 1 28 LYS H 1 28 LYS+ HN 1 1 139 1 2 1 1 30 LYS H 1 30 LYS+ HN 1 1 140 1 1 1 1 29 HIS H 1 29 HIS HN 1 1 140 1 2 1 1 31 HIS H 1 31 HIS HN 1 1 141 1 1 1 1 31 HIS H 1 31 HIS HN 1 1 141 1 2 1 1 33 MET H 1 33 MET HN 1 1 142 1 1 1 1 12 PRO QB 1 12 PRO HB* 1 1 142 1 2 1 1 14 CYS H 1 14 CYS HN 1 1 143 1 1 1 1 14 CYS HB3 1 14 CYS HB2 1 1 143 1 2 1 1 16 GLN H 1 16 GLN HN 1 1 144 1 1 1 1 18 PHE HB3 1 18 PHE HB2 1 1 144 1 2 1 1 20 ASN H 1 20 ASN HN 1 1 145 1 1 1 1 20 ASN QB 1 20 ASN HB* 1 1 145 1 2 1 1 22 ASP H 1 22 ASP- HN 1 1 146 1 1 1 1 22 ASP QB 1 22 ASP- HB* 1 1 146 1 2 1 1 24 LEU H 1 24 LEU HN 1 1 147 1 1 1 1 25 ALA MB 1 25 ALA HB* 1 1 147 1 2 1 1 27 HIS H 1 27 HIS HN 1 1 148 1 1 1 1 31 HIS HB2 1 31 HIS HB1 1 1 148 1 2 1 1 33 MET H 1 33 MET HN 1 1 149 1 1 1 1 33 MET QB 1 33 MET HB* 1 1 149 1 2 1 1 35 LEU H 1 35 LEU HN 1 1 150 1 1 1 1 36 LYS QB 1 36 LYS+ HB* 1 1 150 1 2 1 1 38 GLY H 1 38 GLY HN 1 1 151 1 1 1 1 23 HIS H 1 23 HIS HN 1 1 151 1 2 1 1 25 ALA MB 1 25 ALA HB* 1 1 152 1 1 1 1 12 PRO QG 1 12 PRO HG* 1 1 152 1 2 1 1 14 CYS H 1 14 CYS HN 1 1 153 1 1 1 1 26 VAL MG2 1 26 VAL HG2* 1 1 153 1 2 1 1 28 LYS H 1 28 LYS+ HN 1 1 154 1 1 1 1 36 LYS QG 1 36 LYS+ HG* 1 1 154 1 2 1 1 38 GLY H 1 38 GLY HN 1 1 155 1 1 1 1 12 PRO QD 1 12 PRO HD* 1 1 155 1 2 1 1 14 CYS H 1 14 CYS HN 1 1 156 1 1 1 1 17 ARG QD 1 17 ARG+ HD* 1 1 156 1 2 1 1 19 THR H 1 19 THR HN 1 1 157 1 1 1 1 23 HIS HA 1 23 HIS HA 1 1 157 1 2 1 1 26 VAL H 1 26 VAL HN 1 1 158 1 1 1 1 24 LEU HA 1 24 LEU HA 1 1 158 1 2 1 1 27 HIS H 1 27 HIS HN 1 1 159 1 1 1 1 25 ALA HA 1 25 ALA HA 1 1 159 1 2 1 1 28 LYS H 1 28 LYS+ HN 1 1 160 1 1 1 1 26 VAL HA 1 26 VAL HA 1 1 160 1 2 1 1 29 HIS H 1 29 HIS HN 1 1 161 1 1 1 1 27 HIS HA 1 27 HIS HA 1 1 161 1 2 1 1 30 LYS H 1 30 LYS+ HN 1 1 162 1 1 1 1 28 LYS HA 1 28 LYS+ HA 1 1 162 1 2 1 1 31 HIS H 1 31 HIS HN 1 1 163 1 1 1 1 29 HIS HA 1 29 HIS HA 1 1 163 1 2 1 1 32 GLU H 1 32 GLU- HN 1 1 164 1 1 1 1 11 ALA H 1 11 ALA HN 1 1 164 1 2 1 1 14 CYS H 1 14 CYS HN 1 1 165 1 1 1 1 20 ASN H 1 20 ASN HN 1 1 165 1 2 1 1 23 HIS H 1 23 HIS HN 1 1 166 1 1 1 1 21 GLU H 1 21 GLU- HN 1 1 166 1 2 1 1 24 LEU H 1 24 LEU HN 1 1 167 1 1 1 1 24 LEU H 1 24 LEU HN 1 1 167 1 2 1 1 27 HIS H 1 27 HIS HN 1 1 168 1 1 1 1 25 ALA H 1 25 ALA HN 1 1 168 1 2 1 1 28 LYS H 1 28 LYS+ HN 1 1 169 1 1 1 1 28 LYS H 1 28 LYS+ HN 1 1 169 1 2 1 1 31 HIS H 1 31 HIS HN 1 1 170 1 1 1 1 11 ALA MB 1 11 ALA HB* 1 1 170 1 2 1 1 14 CYS H 1 14 CYS HN 1 1 171 1 1 1 1 20 ASN QB 1 20 ASN HB* 1 1 171 1 2 1 1 23 HIS H 1 23 HIS HN 1 1 172 1 1 1 1 22 ASP QB 1 22 ASP- HB* 1 1 172 1 2 1 1 25 ALA H 1 25 ALA HN 1 1 173 1 1 1 1 25 ALA MB 1 25 ALA HB* 1 1 173 1 2 1 1 28 LYS H 1 28 LYS+ HN 1 1 174 1 1 1 1 27 HIS QB 1 27 HIS HB* 1 1 174 1 2 1 1 30 LYS H 1 30 LYS+ HN 1 1 175 1 1 1 1 33 MET QB 1 33 MET HB* 1 1 175 1 2 1 1 36 LYS H 1 36 LYS+ HN 1 1 176 1 1 1 1 11 ALA H 1 11 ALA HN 1 1 176 1 2 1 1 14 CYS HB3 1 14 CYS HB2 1 1 177 1 1 1 1 30 LYS H 1 30 LYS+ HN 1 1 177 1 2 1 1 33 MET QB 1 33 MET HB* 1 1 178 1 1 1 1 26 VAL MG2 1 26 VAL HG2* 1 1 178 1 2 1 1 29 HIS H 1 29 HIS HN 1 1 179 1 1 1 1 23 HIS HA 1 23 HIS HA 1 1 179 1 2 1 1 27 HIS H 1 27 HIS HN 1 1 180 1 1 1 1 24 LEU HA 1 24 LEU HA 1 1 180 1 2 1 1 28 LYS H 1 28 LYS+ HN 1 1 181 1 1 1 1 25 ALA HA 1 25 ALA HA 1 1 181 1 2 1 1 29 HIS H 1 29 HIS HN 1 1 182 1 1 1 1 26 VAL HA 1 26 VAL HA 1 1 182 1 2 1 1 30 LYS H 1 30 LYS+ HN 1 1 183 1 1 1 1 11 ALA H 1 11 ALA HN 1 1 183 1 2 1 1 15 GLY QA 1 15 GLY HA* 1 1 184 1 1 1 1 11 ALA MB 1 11 ALA HB* 1 1 184 1 2 1 1 15 GLY H 1 15 GLY HN 1 1 185 1 1 1 1 20 ASN QB 1 20 ASN HB1 1 1 185 1 2 1 1 24 LEU H 1 24 LEU HN 1 1 186 1 1 1 1 22 ASP QB 1 22 ASP- HB* 1 1 186 1 2 1 1 26 VAL H 1 26 VAL HN 1 1 187 1 1 1 1 24 LEU HG 1 24 LEU HG 1 1 187 1 2 1 1 28 LYS H 1 28 LYS+ HN 1 1 188 1 1 1 1 26 VAL QG 1 26 VAL HG* 1 1 188 1 2 1 1 30 LYS H 1 30 LYS+ HN 1 1 189 1 1 1 1 7 PHE H 1 7 PHE HN 1 1 189 1 2 1 1 17 ARG HA 1 17 ARG+ HA 1 1 190 1 1 1 1 7 PHE HA 1 7 PHE HA 1 1 190 1 2 1 1 18 PHE H 1 18 PHE HN 1 1 191 1 1 1 1 8 LEU H 1 8 LEU HN 1 1 191 1 2 1 1 17 ARG HA 1 17 ARG+ HA 1 1 192 1 1 1 1 9 CYS H 1 9 CYS HN 1 1 192 1 2 1 1 17 ARG HA 1 17 ARG+ HA 1 1 193 1 1 1 1 9 CYS H 1 9 CYS HN 1 1 193 1 2 1 1 16 GLN HA 1 16 GLN HA 1 1 194 1 1 1 1 7 PHE H 1 7 PHE HN 1 1 194 1 2 1 1 18 PHE H 1 18 PHE HN 1 1 195 1 1 1 1 9 CYS H 1 9 CYS HN 1 1 195 1 2 1 1 16 GLN H 1 16 GLN HN 1 1 196 1 1 1 1 9 CYS H 1 9 CYS HN 1 1 196 1 2 1 1 17 ARG H 1 17 ARG+ HN 1 1 197 1 1 1 1 8 LEU QD 1 8 LEU HD* 1 1 197 1 2 1 1 16 GLN H 1 16 GLN HN 1 1 198 1 1 1 1 8 LEU QD 1 8 LEU HD* 1 1 198 1 2 1 1 17 ARG H 1 17 ARG+ HN 1 1 199 1 1 1 1 8 LEU QD 1 8 LEU HD* 1 1 199 1 2 1 1 18 PHE H 1 18 PHE HN 1 1 200 1 1 1 1 11 ALA MB 1 11 ALA HB* 1 1 200 1 2 1 1 16 GLN H 1 16 GLN HN 1 1 201 1 1 1 1 7 PHE QB 1 7 PHE HB* 1 1 201 1 2 1 1 18 PHE H 1 18 PHE HN 1 1 202 1 1 1 1 7 PHE HB2 1 7 PHE HB1 1 1 202 1 2 1 1 20 ASN H 1 20 ASN HN 1 1 203 1 1 1 1 7 PHE QB 1 7 PHE HB* 1 1 203 1 2 1 1 24 LEU H 1 24 LEU HN 1 1 204 1 1 1 1 7 PHE H 1 7 PHE HN 1 1 204 1 2 1 1 18 PHE HB2 1 18 PHE HB1 1 1 205 1 1 1 1 9 CYS HB2 1 9 CYS HB1 1 1 205 1 2 1 1 16 GLN H 1 16 GLN HN 1 1 206 1 1 1 1 9 CYS HB3 1 9 CYS HB2 1 1 206 1 2 1 1 16 GLN H 1 16 GLN HN 1 1 207 1 1 1 1 18 PHE QB 1 18 PHE HB* 1 1 207 1 2 1 1 23 HIS H 1 23 HIS HN 1 1 208 1 1 1 1 18 PHE QB 1 18 PHE HB* 1 1 208 1 2 1 1 24 LEU H 1 24 LEU HN 1 1 209 1 1 1 1 19 THR MG 1 19 THR HG2* 1 1 209 1 2 1 1 20 ASN QD 1 20 ASN HD2* 1 1 210 1 1 1 1 20 ASN QD 1 20 ASN HD2* 1 1 210 1 2 1 1 21 GLU H 1 21 GLU- HN 1 1 211 1 1 1 1 20 ASN QD 1 20 ASN HD2* 1 1 211 1 2 1 1 22 ASP H 1 22 ASP- HN 1 1 212 1 1 1 1 20 ASN QD 1 20 ASN HD2* 1 1 212 1 2 1 1 23 HIS H 1 23 HIS HN 1 1 213 1 1 1 1 18 PHE HZ 1 18 PHE HZ 1 1 213 1 2 1 1 27 HIS HE1 1 27 HIS HE1 1 1 214 1 1 1 1 18 PHE QE 1 18 PHE HE* 1 1 214 1 2 1 1 27 HIS HE1 1 27 HIS HE1 1 1 215 1 1 1 1 16 GLN QE 1 16 GLN HE2* 1 1 215 1 2 1 1 27 HIS HE1 1 27 HIS HE1 1 1 216 1 1 1 1 16 GLN QB 1 16 GLN HB* 1 1 216 1 2 1 1 27 HIS HE1 1 27 HIS HE1 1 1 217 1 1 1 1 16 GLN QG 1 16 GLN HG* 1 1 217 1 2 1 1 27 HIS HE1 1 27 HIS HE1 1 1 218 1 1 1 1 18 PHE HZ 1 18 PHE HZ 1 1 218 1 2 1 1 27 HIS HD2 1 27 HIS HD2 1 1 219 1 1 1 1 27 HIS HD2 1 27 HIS HD2 1 1 219 1 2 1 1 31 HIS HD2 1 31 HIS HD2 1 1 220 1 1 1 1 18 PHE QE 1 18 PHE HE* 1 1 220 1 2 1 1 27 HIS HD2 1 27 HIS HD2 1 1 221 1 1 1 1 18 PHE QD 1 18 PHE HD* 1 1 221 1 2 1 1 27 HIS HD2 1 27 HIS HD2 1 1 222 1 1 1 1 27 HIS H 1 27 HIS HN 1 1 222 1 2 1 1 27 HIS HD2 1 27 HIS HD2 1 1 223 1 1 1 1 27 HIS HD2 1 27 HIS HD2 1 1 223 1 2 1 1 28 LYS H 1 28 LYS+ HN 1 1 224 1 1 1 1 9 CYS H 1 9 CYS HN 1 1 224 1 2 1 1 27 HIS HD2 1 27 HIS HD2 1 1 225 1 1 1 1 26 VAL QG 1 26 VAL HG* 1 1 225 1 2 1 1 27 HIS HD2 1 27 HIS HD2 1 1 226 1 1 1 1 27 HIS HD2 1 27 HIS HD2 1 1 226 1 2 1 1 28 LYS QG 1 28 LYS+ HG* 1 1 227 1 1 1 1 27 HIS HD2 1 27 HIS HD2 1 1 227 1 2 1 1 28 LYS QD 1 28 LYS+ HD* 1 1 228 1 1 1 1 9 CYS HB2 1 9 CYS HB1 1 1 228 1 2 1 1 27 HIS HD2 1 27 HIS HD2 1 1 229 1 1 1 1 9 CYS HB3 1 9 CYS HB2 1 1 229 1 2 1 1 27 HIS HD2 1 27 HIS HD2 1 1 230 1 1 1 1 9 CYS HA 1 9 CYS HA 1 1 230 1 2 1 1 27 HIS HD2 1 27 HIS HD2 1 1 231 1 1 1 1 27 HIS HD2 1 27 HIS HD2 1 1 231 1 2 1 1 28 LYS HA 1 28 LYS+ HA 1 1 232 1 1 1 1 11 ALA MB 1 11 ALA HB* 1 1 232 1 2 1 1 31 HIS HE1 1 31 HIS HE1 1 1 233 1 1 1 1 31 HIS H 1 31 HIS HN 1 1 233 1 2 1 1 31 HIS HD2 1 31 HIS HD2 1 1 234 1 1 1 1 28 LYS HA 1 28 LYS+ HA 1 1 234 1 2 1 1 31 HIS HD2 1 31 HIS HD2 1 1 235 1 1 1 1 28 LYS H 1 28 LYS+ HN 1 1 235 1 2 1 1 31 HIS HD2 1 31 HIS HD2 1 1 236 1 1 1 1 28 LYS QG 1 28 LYS+ HG* 1 1 236 1 2 1 1 31 HIS HD2 1 31 HIS HD2 1 1 237 1 1 1 1 28 LYS QB 1 28 LYS+ HB* 1 1 237 1 2 1 1 31 HIS HD2 1 31 HIS HD2 1 1 238 1 1 1 1 27 HIS HB3 1 27 HIS HB2 1 1 238 1 2 1 1 31 HIS HD2 1 31 HIS HD2 1 1 239 1 1 1 1 9 CYS QB 1 9 CYS HB* 1 1 239 1 2 1 1 31 HIS HD2 1 31 HIS HD2 1 1 240 1 1 1 1 24 LEU HG 1 24 LEU HG 1 1 240 1 2 1 1 31 HIS HD2 1 31 HIS HD2 1 1 241 1 1 1 1 11 ALA MB 1 11 ALA HB* 1 1 241 1 2 1 1 31 HIS HD2 1 31 HIS HD2 1 1 242 1 1 1 1 20 ASN QD 1 20 ASN HD2* 1 1 242 1 2 1 1 23 HIS HE1 1 23 HIS HE1 1 1 243 1 1 1 1 16 GLN QE 1 16 GLN HE2* 1 1 243 1 2 1 1 18 PHE HZ 1 18 PHE HZ 1 1 244 1 1 1 1 17 ARG H 1 17 ARG+ HN 1 1 244 1 2 1 1 18 PHE HZ 1 18 PHE HZ 1 1 245 1 1 1 1 16 GLN H 1 16 GLN HN 1 1 245 1 2 1 1 18 PHE HZ 1 18 PHE HZ 1 1 246 1 1 1 1 18 PHE HZ 1 18 PHE HZ 1 1 246 1 2 1 1 26 VAL MG2 1 26 VAL HG2* 1 1 247 1 1 1 1 16 GLN QB 1 16 GLN HB* 1 1 247 1 2 1 1 18 PHE HZ 1 18 PHE HZ 1 1 248 1 1 1 1 16 GLN QG 1 16 GLN HG* 1 1 248 1 2 1 1 18 PHE HZ 1 18 PHE HZ 1 1 249 1 1 1 1 18 PHE HZ 1 18 PHE HZ 1 1 249 1 2 1 1 27 HIS HB2 1 27 HIS HB1 1 1 250 1 1 1 1 18 PHE HZ 1 18 PHE HZ 1 1 250 1 2 1 1 27 HIS HB3 1 27 HIS HB2 1 1 251 1 1 1 1 16 GLN QE 1 16 GLN HE2* 1 1 251 1 2 1 1 18 PHE QE 1 18 PHE HE* 1 1 252 1 1 1 1 16 GLN H 1 16 GLN HN 1 1 252 1 2 1 1 18 PHE QE 1 18 PHE HE* 1 1 253 1 1 1 1 17 ARG H 1 17 ARG+ HN 1 1 253 1 2 1 1 18 PHE QE 1 18 PHE HE* 1 1 254 1 1 1 1 18 PHE QE 1 18 PHE HE* 1 1 254 1 2 1 1 26 VAL QG 1 26 VAL HG* 1 1 255 1 1 1 1 16 GLN QB 1 16 GLN HB* 1 1 255 1 2 1 1 18 PHE QE 1 18 PHE HE* 1 1 256 1 1 1 1 9 CYS HA 1 9 CYS HA 1 1 256 1 2 1 1 18 PHE QE 1 18 PHE HE* 1 1 257 1 1 1 1 17 ARG HA 1 17 ARG+ HA 1 1 257 1 2 1 1 18 PHE QE 1 18 PHE HE* 1 1 258 1 1 1 1 16 GLN HA 1 16 GLN HA 1 1 258 1 2 1 1 18 PHE QE 1 18 PHE HE* 1 1 259 1 1 1 1 18 PHE QE 1 18 PHE HE* 1 1 259 1 2 1 1 27 HIS QB 1 27 HIS HB* 1 1 260 1 1 1 1 9 CYS HB2 1 9 CYS HB1 1 1 260 1 2 1 1 18 PHE QE 1 18 PHE HE* 1 1 261 1 1 1 1 9 CYS HB3 1 9 CYS HB2 1 1 261 1 2 1 1 18 PHE QE 1 18 PHE HE* 1 1 262 1 1 1 1 16 GLN QG 1 16 GLN HG* 1 1 262 1 2 1 1 18 PHE QE 1 18 PHE HE* 1 1 263 1 1 1 1 18 PHE QE 1 18 PHE HE* 1 1 263 1 2 1 1 24 LEU HG 1 24 LEU HG 1 1 264 1 1 1 1 16 GLN H 1 16 GLN HN 1 1 264 1 2 1 1 18 PHE QD 1 18 PHE HD* 1 1 265 1 1 1 1 17 ARG H 1 17 ARG+ HN 1 1 265 1 2 1 1 18 PHE QD 1 18 PHE HD* 1 1 266 1 1 1 1 18 PHE QD 1 18 PHE HD* 1 1 266 1 2 1 1 19 THR H 1 19 THR HN 1 1 267 1 1 1 1 17 ARG HA 1 17 ARG+ HA 1 1 267 1 2 1 1 18 PHE QD 1 18 PHE HD* 1 1 268 1 1 1 1 18 PHE QD 1 18 PHE HD* 1 1 268 1 2 1 1 23 HIS HB3 1 23 HIS HB1 1 1 269 1 1 1 1 18 PHE QD 1 18 PHE HD* 1 1 269 1 2 1 1 23 HIS HB2 1 23 HIS HB2 1 1 270 1 1 1 1 9 CYS HA 1 9 CYS HA 1 1 270 1 2 1 1 18 PHE QD 1 18 PHE HD* 1 1 271 1 1 1 1 18 PHE QD 1 18 PHE HD* 1 1 271 1 2 1 1 23 HIS HA 1 23 HIS HA 1 1 272 1 1 1 1 18 PHE QD 1 18 PHE HD* 1 1 272 1 2 1 1 24 LEU MD2 1 24 LEU HD2* 1 1 273 1 1 1 1 18 PHE QD 1 18 PHE HD* 1 1 273 1 2 1 1 24 LEU QB 1 24 LEU HB* 1 1 274 1 1 1 1 18 PHE QD 1 18 PHE HD* 1 1 274 1 2 1 1 24 LEU HG 1 24 LEU HG 1 1 275 1 1 1 1 17 ARG QG 1 17 ARG+ HG* 1 1 275 1 2 1 1 18 PHE QD 1 18 PHE HD* 1 1 276 1 1 1 1 17 ARG HB2 1 17 ARG+ HB2 1 1 276 1 2 1 1 18 PHE QD 1 18 PHE HD* 1 1 277 1 1 1 1 17 ARG HB3 1 17 ARG+ HB1 1 1 277 1 2 1 1 18 PHE QD 1 18 PHE HD* 1 1 278 1 1 1 1 7 PHE QE 1 7 PHE HE* 1 1 278 1 2 1 1 21 GLU H 1 21 GLU- HN 1 1 279 1 1 1 1 7 PHE QE 1 7 PHE HE* 1 1 279 1 2 1 1 22 ASP H 1 22 ASP- HN 1 1 280 1 1 1 1 7 PHE H 1 7 PHE HN 1 1 280 1 2 1 1 7 PHE QE 1 7 PHE HE* 1 1 281 1 1 1 1 7 PHE QE 1 7 PHE HE* 1 1 281 1 2 1 1 24 LEU MD2 1 24 LEU HD2* 1 1 282 1 1 1 1 6 PRO QB 1 6 PRO HB* 1 1 282 1 2 1 1 7 PHE QE 1 7 PHE HE* 1 1 283 1 1 1 1 7 PHE QE 1 7 PHE HE* 1 1 283 1 2 1 1 21 GLU HB3 1 21 GLU- HB2 1 1 284 1 1 1 1 7 PHE QE 1 7 PHE HE* 1 1 284 1 2 1 1 21 GLU HB2 1 21 GLU- HB1 1 1 285 1 1 1 1 7 PHE QE 1 7 PHE HE* 1 1 285 1 2 1 1 21 GLU QG 1 21 GLU- HG* 1 1 286 1 1 1 1 7 PHE QE 1 7 PHE HE* 1 1 286 1 2 1 1 21 GLU HA 1 21 GLU- HA 1 1 287 1 1 1 1 7 PHE H 1 7 PHE HN 1 1 287 1 2 1 1 7 PHE QD 1 7 PHE HD* 1 1 288 1 1 1 1 7 PHE QD 1 7 PHE HD* 1 1 288 1 2 1 1 21 GLU H 1 21 GLU- HN 1 1 289 1 1 1 1 7 PHE QD 1 7 PHE HD* 1 1 289 1 2 1 1 18 PHE H 1 18 PHE HN 1 1 290 1 1 1 1 7 PHE QD 1 7 PHE HD* 1 1 290 1 2 1 1 8 LEU H 1 8 LEU HN 1 1 291 1 1 1 1 7 PHE QD 1 7 PHE HD* 1 1 291 1 2 1 1 19 THR HA 1 19 THR HA 1 1 292 1 1 1 1 6 PRO HA 1 6 PRO HA 1 1 292 1 2 1 1 7 PHE QD 1 7 PHE HD* 1 1 293 1 1 1 1 7 PHE QD 1 7 PHE HD* 1 1 293 1 2 1 1 18 PHE HB3 1 18 PHE HB2 1 1 294 1 1 1 1 7 PHE QD 1 7 PHE HD* 1 1 294 1 2 1 1 21 GLU HA 1 21 GLU- HA 1 1 295 1 1 1 1 7 PHE QD 1 7 PHE HD* 1 1 295 1 2 1 1 21 GLU QG 1 21 GLU- HG* 1 1 296 1 1 1 1 7 PHE QD 1 7 PHE HD* 1 1 296 1 2 1 1 17 ARG QG 1 17 ARG+ HG* 1 1 297 1 1 1 1 6 PRO QB 1 6 PRO HB* 1 1 297 1 2 1 1 7 PHE QD 1 7 PHE HD* 1 1 298 1 1 1 1 7 PHE QD 1 7 PHE HD* 1 1 298 1 2 1 1 24 LEU HG 1 24 LEU HG 1 1 299 1 1 1 1 7 PHE QD 1 7 PHE HD* 1 1 299 1 2 1 1 24 LEU MD2 1 24 LEU HD2* 1 1 300 1 1 1 1 7 PHE QD 1 7 PHE HD* 1 1 300 1 2 1 1 24 LEU HB2 1 24 LEU HB1 1 1 301 1 1 1 1 7 PHE H 1 7 PHE HN 1 1 301 1 2 1 1 17 ARG QD 1 17 ARG+ HD* 1 1 302 1 1 1 1 7 PHE HZ 1 7 PHE HZ 1 1 302 1 2 1 1 21 GLU H 1 21 GLU- HN 1 1 303 1 1 1 1 9 CYS H 1 9 CYS HN 1 1 303 1 2 1 1 18 PHE QE 1 18 PHE HE* 1 1 304 1 1 1 1 9 CYS H 1 9 CYS HN 1 1 304 1 2 1 1 18 PHE QD 1 18 PHE HD* 1 1 305 1 1 1 1 18 PHE H 1 18 PHE HN 1 1 305 1 2 1 1 18 PHE QD 1 18 PHE HD* 1 1 306 1 1 1 1 18 PHE QE 1 18 PHE HE* 1 1 306 1 2 1 1 19 THR H 1 19 THR HN 1 1 307 1 1 1 1 18 PHE QD 1 18 PHE HD* 1 1 307 1 2 1 1 27 HIS H 1 27 HIS HN 1 1 308 1 1 1 1 18 PHE QD 1 18 PHE HD* 1 1 308 1 2 1 1 28 LYS H 1 28 LYS+ HN 1 1 309 1 1 1 1 22 ASP H 1 22 ASP- HN 1 1 309 1 2 1 1 23 HIS HD2 1 23 HIS HD2 1 1 310 1 1 1 1 23 HIS H 1 23 HIS HN 1 1 310 1 2 1 1 23 HIS HD2 1 23 HIS HD2 1 1 311 1 1 1 1 18 PHE H 1 18 PHE HN 1 1 311 1 2 1 1 24 LEU MD2 1 24 LEU HD2* 1 1 312 1 1 1 1 31 HIS HD2 1 31 HIS HD2 1 1 312 1 2 1 1 32 GLU H 1 32 GLU- HN 1 1 313 1 1 1 1 17 ARG HA 1 17 ARG+ HA 1 1 313 1 2 1 1 18 PHE QB 1 18 PHE HB* 1 1 314 1 1 1 1 18 PHE HB2 1 18 PHE HB1 1 1 314 1 2 1 1 24 LEU HB2 1 24 LEU HB1 1 1 315 1 1 1 1 18 PHE HB3 1 18 PHE HB2 1 1 315 1 2 1 1 24 LEU HB2 1 24 LEU HB1 1 1 316 1 1 1 1 18 PHE QB 1 18 PHE HB* 1 1 316 1 2 1 1 24 LEU QD 1 24 LEU HD* 1 1 317 1 1 1 1 11 ALA HA 1 11 ALA HA 1 1 317 1 2 1 1 12 PRO QD 1 12 PRO HD* 1 1 318 1 1 1 1 11 ALA MB 1 11 ALA HB* 1 1 318 1 2 1 1 12 PRO QD 1 12 PRO HD* 1 1 319 1 1 1 1 9 CYS QB 1 9 CYS HB* 1 1 319 1 2 1 1 17 ARG HA 1 17 ARG+ HA 1 1 320 1 1 1 1 9 CYS HB2 1 9 CYS HB1 1 1 320 1 2 1 1 16 GLN QB 1 16 GLN HB* 1 1 321 1 1 1 1 9 CYS HB2 1 9 CYS HB1 1 1 321 1 2 1 1 24 LEU QD 1 24 LEU HD* 1 1 322 1 1 1 1 9 CYS HB3 1 9 CYS HB2 1 1 322 1 2 1 1 24 LEU QD 1 24 LEU HD* 1 1 323 1 1 1 1 9 CYS HB2 1 9 CYS HB1 1 1 323 1 2 1 1 24 LEU HG 1 24 LEU HG 1 1 324 1 1 1 1 9 CYS HB3 1 9 CYS HB2 1 1 324 1 2 1 1 24 LEU HG 1 24 LEU HG 1 1 325 1 1 1 1 9 CYS HB2 1 9 CYS HB1 1 1 325 1 2 1 1 11 ALA MB 1 11 ALA HB* 1 1 326 1 1 1 1 9 CYS HB3 1 9 CYS HB2 1 1 326 1 2 1 1 11 ALA MB 1 11 ALA HB* 1 1 327 1 1 1 1 9 CYS HB3 1 9 CYS HB2 1 1 327 1 2 1 1 16 GLN HA 1 16 GLN HA 1 1 328 1 1 1 1 9 CYS HA 1 9 CYS HA 1 1 328 1 2 1 1 24 LEU HG 1 24 LEU HG 1 1 329 1 1 1 1 25 ALA MB 1 25 ALA HB* 1 1 329 1 2 1 1 26 VAL HA 1 26 VAL HA 1 1 330 1 1 1 1 22 ASP HA 1 22 ASP- HA 1 1 330 1 2 1 1 25 ALA MB 1 25 ALA HB* 1 1 331 1 1 1 1 22 ASP HA 1 22 ASP- HA 1 1 331 1 2 1 1 26 VAL QG 1 26 VAL HG* 1 1 332 1 1 1 1 22 ASP QB 1 22 ASP- HB* 1 1 332 1 2 1 1 25 ALA MB 1 25 ALA HB* 1 1 333 1 1 1 1 22 ASP QB 1 22 ASP- HB* 1 1 333 1 2 1 1 26 VAL QG 1 26 VAL HG* 1 1 334 1 1 1 1 16 GLN HA 1 16 GLN HA 1 1 334 1 2 1 1 17 ARG QB 1 17 ARG+ HB* 1 1 335 1 1 1 1 9 CYS HB3 1 9 CYS HB2 1 1 335 1 2 1 1 16 GLN QB 1 16 GLN HB* 1 1 336 1 1 1 1 24 LEU MD1 1 24 LEU HD1* 1 1 336 1 2 1 1 27 HIS HB2 1 27 HIS HB1 1 1 337 1 1 1 1 18 PHE QB 1 18 PHE HB* 1 1 337 1 2 1 1 23 HIS QB 1 23 HIS HB* 1 1 338 1 1 1 1 7 PHE QB 1 7 PHE HB* 1 1 338 1 2 1 1 24 LEU HB2 1 24 LEU HB1 1 1 339 1 1 1 1 7 PHE QB 1 7 PHE HB* 1 1 339 1 2 1 1 24 LEU HB3 1 24 LEU HB2 1 1 340 1 1 1 1 17 ARG HA 1 17 ARG+ HA 1 1 340 1 2 1 1 24 LEU QD 1 24 LEU HD* 1 1 341 1 1 1 1 30 LYS HA 1 30 LYS+ HA 1 1 341 1 2 1 1 33 MET QB 1 33 MET HB* 1 1 342 1 1 1 1 30 LYS HA 1 30 LYS+ HA 1 1 342 1 2 1 1 33 MET QG 1 33 MET HG* 1 1 343 1 1 1 1 26 VAL HA 1 26 VAL HA 1 1 343 1 2 1 1 29 HIS QB 1 29 HIS HB* 1 1 344 1 1 1 1 25 ALA HA 1 25 ALA HA 1 1 344 1 2 1 1 28 LYS QB 1 28 LYS+ HB* 1 1 345 1 1 1 1 25 ALA HA 1 25 ALA HA 1 1 345 1 2 1 1 28 LYS QG 1 28 LYS+ HG* 1 1 346 1 1 1 1 21 GLU HA 1 21 GLU- HA 1 1 346 1 2 1 1 24 LEU QB 1 24 LEU HB* 1 1 347 1 1 1 1 21 GLU HA 1 21 GLU- HA 1 1 347 1 2 1 1 24 LEU MD2 1 24 LEU HD2* 1 1 348 1 1 1 1 7 PHE QB 1 7 PHE HB* 1 1 348 1 2 1 1 24 LEU MD2 1 24 LEU HD2* 1 1 349 1 1 1 1 7 PHE QB 1 7 PHE HB* 1 1 349 1 2 1 1 24 LEU MD1 1 24 LEU HD1* 1 1 350 1 1 1 1 24 LEU MD2 1 24 LEU HD2* 1 1 350 1 2 1 1 25 ALA HA 1 25 ALA HA 1 1 351 1 1 1 1 24 LEU QD 1 24 LEU HD* 1 1 351 1 2 1 1 28 LYS QB 1 28 LYS+ HB* 1 1 352 1 1 1 1 18 PHE QB 1 18 PHE HB* 1 1 352 1 2 1 1 19 THR MG 1 19 THR HG2* 1 1 353 1 1 1 1 6 PRO HA 1 6 PRO HA 1 1 353 1 2 1 1 7 PHE QB 1 7 PHE HB* 1 1 354 1 1 1 1 11 ALA HA 1 11 ALA HA 1 1 354 1 2 1 1 14 CYS HB3 1 14 CYS HB2 1 1 355 1 1 1 1 21 GLU HA 1 21 GLU- HA 1 1 355 1 2 1 1 22 ASP QB 1 22 ASP- HB* 1 1 356 1 1 1 1 8 LEU QD 1 8 LEU HD* 1 1 356 1 2 1 1 17 ARG QG 1 17 ARG+ HG* 1 1 357 1 1 1 1 8 LEU QD 1 8 LEU HD* 1 1 357 1 2 1 1 17 ARG QB 1 17 ARG+ HB* 1 1 358 1 1 1 1 8 LEU QD 1 8 LEU HD* 1 1 358 1 2 1 1 16 GLN HA 1 16 GLN HA 1 1 359 1 1 1 1 7 PHE HA 1 7 PHE HA 1 1 359 1 2 1 1 24 LEU MD2 1 24 LEU HD2* 1 1 360 1 1 1 1 8 LEU QD 1 8 LEU HD* 1 1 360 1 2 1 1 17 ARG HA 1 17 ARG+ HA 1 1 361 1 1 1 1 27 HIS HA 1 27 HIS HA 1 1 361 1 2 1 1 30 LYS QB 1 30 LYS+ HB* 1 1 362 1 1 1 1 24 LEU HA 1 24 LEU HA 1 1 362 1 2 1 1 27 HIS QB 1 27 HIS HB* 1 1 363 1 1 1 1 7 PHE H 1 7 PHE HN 1 1 363 1 2 1 1 17 ARG QG 1 17 ARG+ HG* 1 1 364 1 1 1 1 9 CYS H 1 9 CYS HN 1 1 364 1 2 1 1 17 ARG QG 1 17 ARG+ HG* 1 1 365 1 1 1 1 9 CYS H 1 9 CYS HN 1 1 365 1 2 1 1 24 LEU MD1 1 24 LEU HD1* 1 1 366 1 1 1 1 9 CYS H 1 9 CYS HN 1 1 366 1 2 1 1 24 LEU HG 1 24 LEU HG 1 1 367 1 1 1 1 8 LEU H 1 8 LEU HN 1 1 367 1 2 1 1 24 LEU MD2 1 24 LEU HD2* 1 1 368 1 1 1 1 33 MET QG 1 33 MET HG* 1 1 368 1 2 1 1 35 LEU H 1 35 LEU HN 1 1 369 1 1 1 1 33 MET QG 1 33 MET HG* 1 1 369 1 2 1 1 36 LYS H 1 36 LYS+ HN 1 1 370 1 1 1 1 30 LYS HA 1 30 LYS+ HA 1 1 370 1 2 1 1 32 GLU H 1 32 GLU- HN 1 1 371 1 1 1 1 30 LYS QB 1 30 LYS+ HB* 1 1 371 1 2 1 1 32 GLU H 1 32 GLU- HN 1 1 372 1 1 1 1 29 HIS H 1 29 HIS HN 1 1 372 1 2 1 1 32 GLU QB 1 32 GLU- HB* 1 1 373 1 1 1 1 13 GLY H 1 13 GLY HN 1 1 373 1 2 1 1 14 CYS HB3 1 14 CYS HB2 1 1 374 1 1 1 1 11 ALA MB 1 11 ALA HB* 1 1 374 1 2 1 1 13 GLY H 1 13 GLY HN 1 1 375 1 1 1 1 11 ALA MB 1 11 ALA HB* 1 1 375 1 2 1 1 14 CYS HB2 1 14 CYS HB1 1 1 376 1 1 1 1 11 ALA MB 1 11 ALA HB* 1 1 376 1 2 1 1 14 CYS HB3 1 14 CYS HB2 1 1 377 1 1 1 1 14 CYS HB2 1 14 CYS HB1 1 1 377 1 2 1 1 15 GLY QA 1 15 GLY HA* 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . . -2.0 3.0 1 1 2 1 . . . . . . -2.0 3.0 1 1 3 1 . . . . . . -2.0 5.0 1 1 4 1 . . . . . . -2.0 4.0 1 1 5 1 . . . . . . -2.0 5.0 1 1 6 1 . . . . . . -2.0 4.0 1 1 7 1 . . . . . . -2.0 6.0 1 1 8 1 . . . . . . -2.0 3.0 1 1 9 1 . . . . . . -2.0 3.0 1 1 10 1 . . . . . . -2.0 3.0 1 1 11 1 . . . . . . -2.0 4.0 1 1 12 1 . . . . . . -2.0 5.0 1 1 13 1 . . . . . . -2.0 5.0 1 1 14 1 . . . . . . -2.0 5.0 1 1 15 1 . . . . . . -2.0 4.0 1 1 16 1 . . . . . . -2.0 4.0 1 1 17 1 . . . . . . -2.0 5.0 1 1 18 1 . . . . . . -2.0 5.0 1 1 19 1 . . . . . . -2.0 5.0 1 1 20 1 . . . . . . -2.0 5.0 1 1 21 1 . . . . . . -2.0 5.0 1 1 22 1 . . . . . . -2.0 4.0 1 1 23 1 . . . . . . -2.0 4.0 1 1 24 1 . . . . . . -2.0 4.0 1 1 25 1 . . . . . . -2.0 4.0 1 1 26 1 . . . . . . -2.0 4.0 1 1 27 1 . . . . . . -2.0 4.0 1 1 28 1 . . . . . . -2.0 5.0 1 1 29 1 . . . . . . -2.0 4.0 1 1 30 1 . . . . . . -2.0 6.0 1 1 31 1 . . . . . . -2.0 5.5 1 1 32 1 . . . . . . -2.0 5.0 1 1 33 1 . . . . . . -2.0 5.5 1 1 34 1 . . . . . . -2.0 5.5 1 1 35 1 . . . . . . -2.0 5.5 1 1 36 1 . . . . . . -2.0 5.5 1 1 37 1 . . . . . . -2.0 5.5 1 1 38 1 . . . . . . -2.0 5.5 1 1 39 1 . . . . . . -2.0 5.5 1 1 40 1 . . . . . . -2.0 5.0 1 1 41 1 . . . . . . -2.0 5.0 1 1 42 1 . . . . . . -2.0 5.0 1 1 43 1 . . . . . . -2.0 5.0 1 1 44 1 . . . . . . -2.0 5.0 1 1 45 1 . . . . . . -2.0 5.0 1 1 46 1 . . . . . . -2.0 5.0 1 1 47 1 . . . . . . -2.0 5.0 1 1 48 1 . . . . . . -2.0 5.0 1 1 49 1 . . . . . . -2.0 5.0 1 1 50 1 . . . . . . -2.0 5.0 1 1 51 1 . . . . . . -2.0 4.0 1 1 52 1 . . . . . . -2.0 4.0 1 1 53 1 . . . . . . -2.0 4.0 1 1 54 1 . . . . . . -2.0 4.0 1 1 55 1 . . . . . . -2.0 5.0 1 1 56 1 . . . . . . -2.0 4.0 1 1 57 1 . . . . . . -2.0 5.0 1 1 58 1 . . . . . . -2.0 4.0 1 1 59 1 . . . . . . -2.0 3.0 1 1 60 1 . . . . . . -2.0 4.0 1 1 61 1 . . . . . . -2.0 5.0 1 1 62 1 . . . . . . -2.0 5.0 1 1 63 1 . . . . . . -2.0 5.0 1 1 64 1 . . . . . . -2.0 5.0 1 1 65 1 . . . . . . -2.0 5.0 1 1 66 1 . . . . . . -2.0 5.0 1 1 67 1 . . . . . . -2.0 5.0 1 1 68 1 . . . . . . -2.0 6.0 1 1 69 1 . . . . . . -2.0 4.0 1 1 70 1 . . . . . . -2.0 4.0 1 1 71 1 . . . . . . -2.0 4.0 1 1 72 1 . . . . . . -2.0 4.0 1 1 73 1 . . . . . . -2.0 4.0 1 1 74 1 . . . . . . -2.0 5.0 1 1 75 1 . . . . . . -2.0 4.0 1 1 76 1 . . . . . . -2.0 5.0 1 1 77 1 . . . . . . -2.0 4.0 1 1 78 1 . . . . . . -2.0 5.0 1 1 79 1 . . . . . . -2.0 4.0 1 1 80 1 . . . . . . -2.0 3.0 1 1 81 1 . . . . . . -2.0 4.0 1 1 82 1 . . . . . . -2.0 4.0 1 1 83 1 . . . . . . -2.0 4.0 1 1 84 1 . . . . . . -2.0 4.0 1 1 85 1 . . . . . . -2.0 3.0 1 1 86 1 . . . . . . -2.0 4.0 1 1 87 1 . . . . . . -2.0 4.0 1 1 88 1 . . . . . . -2.0 3.0 1 1 89 1 . . . . . . -2.0 4.0 1 1 90 1 . . . . . . -2.0 6.0 1 1 91 1 . . . . . . -2.0 5.0 1 1 92 1 . . . . . . -2.0 5.0 1 1 93 1 . . . . . . -2.0 5.0 1 1 94 1 . . . . . . -2.0 6.5 1 1 95 1 . . . . . . -2.0 5.0 1 1 96 1 . . . . . . -2.0 6.0 1 1 97 1 . . . . . . -2.0 6.0 1 1 98 1 . . . . . . -2.0 6.0 1 1 99 1 . . . . . . -2.0 6.0 1 1 100 1 . . . . . . -2.0 6.0 1 1 101 1 . . . . . . -2.0 6.0 1 1 102 1 . . . . . . -2.0 6.0 1 1 103 1 . . . . . . -2.0 5.0 1 1 104 1 . . . . . . -2.0 5.0 1 1 105 1 . . . . . . -2.0 5.5 1 1 106 1 . . . . . . -2.0 6.0 1 1 107 1 . . . . . . -2.0 5.0 1 1 108 1 . . . . . . -2.0 4.5 1 1 109 1 . . . . . . -2.0 5.5 1 1 110 1 . . . . . . -2.0 6.0 1 1 111 1 . . . . . . -2.0 6.0 1 1 112 1 . . . . . . -2.0 6.0 1 1 113 1 . . . . . . -2.0 5.5 1 1 114 1 . . . . . . -2.0 6.0 1 1 115 1 . . . . . . -2.0 6.0 1 1 116 1 . . . . . . -2.0 7.0 1 1 117 1 . . . . . . -2.0 6.9 1 1 118 1 . . . . . . -2.0 6.0 1 1 119 1 . . . . . . -2.0 6.0 1 1 120 1 . . . . . . -2.0 6.0 1 1 121 1 . . . . . . -2.0 6.5 1 1 122 1 . . . . . . -2.0 7.9 1 1 123 1 . . . . . . -2.0 6.0 1 1 124 1 . . . . . . -2.0 8.9 1 1 125 1 . . . . . . -2.0 6.0 1 1 126 1 . . . . . . -2.0 5.0 1 1 127 1 . . . . . . -2.0 5.0 1 1 128 1 . . . . . . -2.0 5.0 1 1 129 1 . . . . . . -2.0 5.0 1 1 130 1 . . . . . . -2.0 5.0 1 1 131 1 . . . . . . -2.0 5.0 1 1 132 1 . . . . . . -2.0 5.0 1 1 133 1 . . . . . . -2.0 5.0 1 1 134 1 . . . . . . -2.0 5.0 1 1 135 1 . . . . . . -2.0 5.0 1 1 136 1 . . . . . . -2.0 5.0 1 1 137 1 . . . . . . -2.0 5.0 1 1 138 1 . . . . . . -2.0 5.0 1 1 139 1 . . . . . . -2.0 5.0 1 1 140 1 . . . . . . -2.0 5.0 1 1 141 1 . . . . . . -2.0 5.0 1 1 142 1 . . . . . . -2.0 6.0 1 1 143 1 . . . . . . -2.0 5.0 1 1 144 1 . . . . . . -2.0 4.0 1 1 145 1 . . . . . . -2.0 6.0 1 1 146 1 . . . . . . -2.0 5.0 1 1 147 1 . . . . . . -2.0 6.5 1 1 148 1 . . . . . . -2.0 5.0 1 1 149 1 . . . . . . -2.0 6.0 1 1 150 1 . . . . . . -2.0 6.0 1 1 151 1 . . . . . . -2.0 6.5 1 1 152 1 . . . . . . -2.0 5.0 1 1 153 1 . . . . . . -2.0 5.5 1 1 154 1 . . . . . . -2.0 6.0 1 1 155 1 . . . . . . -2.0 5.0 1 1 156 1 . . . . . . -2.0 5.0 1 1 157 1 . . . . . . -2.0 5.0 1 1 158 1 . . . . . . -2.0 5.0 1 1 159 1 . . . . . . -2.0 5.0 1 1 160 1 . . . . . . -2.0 5.0 1 1 161 1 . . . . . . -2.0 5.0 1 1 162 1 . . . . . . -2.0 5.0 1 1 163 1 . . . . . . -2.0 5.0 1 1 164 1 . . . . . . -2.0 5.0 1 1 165 1 . . . . . . -2.0 5.5 1 1 166 1 . . . . . . -2.0 5.5 1 1 167 1 . . . . . . -2.0 5.0 1 1 168 1 . . . . . . -2.0 5.0 1 1 169 1 . . . . . . -2.0 5.0 1 1 170 1 . . . . . . -2.0 4.5 1 1 171 1 . . . . . . -2.0 5.0 1 1 172 1 . . . . . . -2.0 6.0 1 1 173 1 . . . . . . -2.0 6.5 1 1 174 1 . . . . . . -2.0 6.0 1 1 175 1 . . . . . . -2.0 6.0 1 1 176 1 . . . . . . -2.0 5.0 1 1 177 1 . . . . . . -2.0 6.0 1 1 178 1 . . . . . . -2.0 6.5 1 1 179 1 . . . . . . -2.0 5.0 1 1 180 1 . . . . . . -2.0 5.0 1 1 181 1 . . . . . . -2.0 5.0 1 1 182 1 . . . . . . -2.0 5.0 1 1 183 1 . . . . . . -2.0 5.0 1 1 184 1 . . . . . . -2.0 5.5 1 1 185 1 . . . . . . -2.0 5.0 1 1 186 1 . . . . . . -2.0 6.5 1 1 187 1 . . . . . . -2.0 4.0 1 1 188 1 . . . . . . -2.0 8.9 1 1 189 1 . . . . . . -2.0 5.0 1 1 190 1 . . . . . . -2.0 5.0 1 1 191 1 . . . . . . -2.0 5.0 1 1 192 1 . . . . . . -2.0 4.0 1 1 193 1 . . . . . . -2.0 5.0 1 1 194 1 . . . . . . -2.0 4.0 1 1 195 1 . . . . . . -2.0 5.0 1 1 196 1 . . . . . . -2.0 5.0 1 1 197 1 . . . . . . -2.0 7.9 1 1 198 1 . . . . . . -2.0 7.9 1 1 199 1 . . . . . . -2.0 8.9 1 1 200 1 . . . . . . -2.0 5.5 1 1 201 1 . . . . . . -2.0 6.0 1 1 202 1 . . . . . . -2.0 5.0 1 1 203 1 . . . . . . -2.0 6.0 1 1 204 1 . . . . . . -2.0 5.0 1 1 205 1 . . . . . . -2.0 5.0 1 1 206 1 . . . . . . -2.0 4.0 1 1 207 1 . . . . . . -2.0 6.0 1 1 208 1 . . . . . . -2.0 5.0 1 1 209 1 . . . . . . -2.0 7.5 1 1 210 1 . . . . . . -2.0 6.0 1 1 211 1 . . . . . . -2.0 5.0 1 1 212 1 . . . . . . -2.0 6.0 1 1 213 1 . . . . . . -2.0 5.0 1 1 214 1 . . . . . . -2.0 7.0 1 1 215 1 . . . . . . -2.0 6.0 1 1 216 1 . . . . . . -2.0 5.0 1 1 217 1 . . . . . . -2.0 6.0 1 1 218 1 . . . . . . -2.0 5.0 1 1 219 1 . . . . . . -2.0 4.0 1 1 220 1 . . . . . . -2.0 7.0 1 1 221 1 . . . . . . -2.0 7.0 1 1 222 1 . . . . . . -2.0 5.0 1 1 223 1 . . . . . . -2.0 5.0 1 1 224 1 . . . . . . -2.0 5.0 1 1 225 1 . . . . . . -2.0 7.9 1 1 226 1 . . . . . . -2.0 6.0 1 1 227 1 . . . . . . -2.0 6.0 1 1 228 1 . . . . . . -2.0 5.0 1 1 229 1 . . . . . . -2.0 5.0 1 1 230 1 . . . . . . -2.0 5.0 1 1 231 1 . . . . . . -2.0 4.0 1 1 232 1 . . . . . . -2.0 5.5 1 1 233 1 . . . . . . -2.0 5.0 1 1 234 1 . . . . . . -2.0 3.0 1 1 235 1 . . . . . . -2.0 5.0 1 1 236 1 . . . . . . -2.0 6.0 1 1 237 1 . . . . . . -2.0 6.0 1 1 238 1 . . . . . . -2.0 5.0 1 1 239 1 . . . . . . -2.0 6.0 1 1 240 1 . . . . . . -2.0 6.0 1 1 241 1 . . . . . . -2.0 5.5 1 1 242 1 . . . . . . -2.0 6.0 1 1 243 1 . . . . . . -2.0 6.0 1 1 244 1 . . . . . . -2.0 5.0 1 1 245 1 . . . . . . -2.0 5.0 1 1 246 1 . . . . . . -2.0 6.5 1 1 247 1 . . . . . . -2.0 4.0 1 1 248 1 . . . . . . -2.0 6.0 1 1 249 1 . . . . . . -2.0 4.0 1 1 250 1 . . . . . . -2.0 4.0 1 1 251 1 . . . . . . -2.0 8.0 1 1 252 1 . . . . . . -2.0 7.0 1 1 253 1 . . . . . . -2.0 7.0 1 1 254 1 . . . . . . -2.0 8.9 1 1 255 1 . . . . . . -2.0 5.0 1 1 256 1 . . . . . . -2.0 7.0 1 1 257 1 . . . . . . -2.0 7.0 1 1 258 1 . . . . . . -2.0 7.0 1 1 259 1 . . . . . . -2.0 7.0 1 1 260 1 . . . . . . -2.0 6.0 1 1 261 1 . . . . . . -2.0 6.0 1 1 262 1 . . . . . . -2.0 8.0 1 1 263 1 . . . . . . -2.0 5.0 1 1 264 1 . . . . . . -2.0 7.0 1 1 265 1 . . . . . . -2.0 7.0 1 1 266 1 . . . . . . -2.0 7.0 1 1 267 1 . . . . . . -2.0 4.0 1 1 268 1 . . . . . . -2.0 6.0 1 1 269 1 . . . . . . -2.0 6.0 1 1 270 1 . . . . . . -2.0 7.0 1 1 271 1 . . . . . . -2.0 7.0 1 1 272 1 . . . . . . -2.0 8.5 1 1 273 1 . . . . . . -2.0 7.0 1 1 274 1 . . . . . . -2.0 5.0 1 1 275 1 . . . . . . -2.0 7.0 1 1 276 1 . . . . . . -2.0 6.0 1 1 277 1 . . . . . . -2.0 7.0 1 1 278 1 . . . . . . -2.0 5.0 1 1 279 1 . . . . . . -2.0 7.0 1 1 280 1 . . . . . . -2.0 7.0 1 1 281 1 . . . . . . -2.0 7.5 1 1 282 1 . . . . . . -2.0 8.0 1 1 283 1 . . . . . . -2.0 5.0 1 1 284 1 . . . . . . -2.0 7.0 1 1 285 1 . . . . . . -2.0 7.0 1 1 286 1 . . . . . . -2.0 7.0 1 1 287 1 . . . . . . -2.0 5.0 1 1 288 1 . . . . . . -2.0 7.0 1 1 289 1 . . . . . . -2.0 7.0 1 1 290 1 . . . . . . -2.0 6.0 1 1 291 1 . . . . . . -2.0 7.0 1 1 292 1 . . . . . . -2.0 7.0 1 1 293 1 . . . . . . -2.0 7.0 1 1 294 1 . . . . . . -2.0 6.0 1 1 295 1 . . . . . . -2.0 8.0 1 1 296 1 . . . . . . -2.0 6.0 1 1 297 1 . . . . . . -2.0 7.0 1 1 298 1 . . . . . . -2.0 7.0 1 1 299 1 . . . . . . -2.0 8.5 1 1 300 1 . . . . . . -2.0 8.5 1 1 301 1 . . . . . . -2.0 6.0 1 1 302 1 . . . . . . -2.0 4.0 1 1 303 1 . . . . . . -2.0 7.0 1 1 304 1 . . . . . . -2.0 7.0 1 1 305 1 . . . . . . -2.0 5.5 1 1 306 1 . . . . . . -2.0 8.0 1 1 307 1 . . . . . . -2.0 7.5 1 1 308 1 . . . . . . -2.0 7.5 1 1 309 1 . . . . . . -2.0 6.0 1 1 310 1 . . . . . . -2.0 5.0 1 1 311 1 . . . . . . -2.0 6.5 1 1 312 1 . . . . . . -2.0 5.0 1 1 313 1 . . . . . . -2.0 6.0 1 1 314 1 . . . . . . -2.0 5.0 1 1 315 1 . . . . . . -2.0 5.0 1 1 316 1 . . . . . . -2.0 9.9 1 1 317 1 . . . . . . -2.0 4.0 1 1 318 1 . . . . . . -2.0 5.5 1 1 319 1 . . . . . . -2.0 6.5 1 1 320 1 . . . . . . -2.0 7.0 1 1 321 1 . . . . . . -2.0 7.9 1 1 322 1 . . . . . . -2.0 8.9 1 1 323 1 . . . . . . -2.0 4.0 1 1 324 1 . . . . . . -2.0 5.0 1 1 325 1 . . . . . . -2.0 6.5 1 1 326 1 . . . . . . -2.0 6.5 1 1 327 1 . . . . . . -2.0 5.0 1 1 328 1 . . . . . . -2.0 4.0 1 1 329 1 . . . . . . -2.0 6.5 1 1 330 1 . . . . . . -2.0 5.5 1 1 331 1 . . . . . . -2.0 8.9 1 1 332 1 . . . . . . -2.0 6.5 1 1 333 1 . . . . . . -2.0 9.9 1 1 334 1 . . . . . . -2.0 5.0 1 1 335 1 . . . . . . -2.0 6.0 1 1 336 1 . . . . . . -2.0 6.5 1 1 337 1 . . . . . . -2.0 6.0 1 1 338 1 . . . . . . -2.0 6.0 1 1 339 1 . . . . . . -2.0 6.0 1 1 340 1 . . . . . . -2.0 8.9 1 1 341 1 . . . . . . -2.0 5.0 1 1 342 1 . . . . . . -2.0 5.0 1 1 343 1 . . . . . . -2.0 5.0 1 1 344 1 . . . . . . -2.0 5.0 1 1 345 1 . . . . . . -2.0 5.0 1 1 346 1 . . . . . . -2.0 5.0 1 1 347 1 . . . . . . -2.0 6.5 1 1 348 1 . . . . . . -2.0 6.5 1 1 349 1 . . . . . . -2.0 7.5 1 1 350 1 . . . . . . -2.0 6.5 1 1 351 1 . . . . . . -2.0 9.9 1 1 352 1 . . . . . . -2.0 7.5 1 1 353 1 . . . . . . -2.0 6.0 1 1 354 1 . . . . . . -2.0 5.0 1 1 355 1 . . . . . . -2.0 6.0 1 1 356 1 . . . . . . -2.0 7.9 1 1 357 1 . . . . . . -2.0 7.9 1 1 358 1 . . . . . . -2.0 7.9 1 1 359 1 . . . . . . -2.0 6.5 1 1 360 1 . . . . . . -2.0 8.9 1 1 361 1 . . . . . . -2.0 6.0 1 1 362 1 . . . . . . -2.0 6.0 1 1 363 1 . . . . . . -2.0 6.0 1 1 364 1 . . . . . . -2.0 6.0 1 1 365 1 . . . . . . -2.0 4.5 1 1 366 1 . . . . . . -2.0 5.0 1 1 367 1 . . . . . . -2.0 5.5 1 1 368 1 . . . . . . -2.0 6.0 1 1 369 1 . . . . . . -2.0 6.0 1 1 370 1 . . . . . . -2.0 5.0 1 1 371 1 . . . . . . -2.0 6.0 1 1 372 1 . . . . . . -2.0 6.0 1 1 373 1 . . . . . . -2.0 6.0 1 1 374 1 . . . . . . -2.0 6.5 1 1 375 1 . . . . . . -2.0 6.5 1 1 376 1 . . . . . . -2.0 4.5 1 1 377 1 . . . . . . -2.0 6.0 1 1 stop_ save_ save_Emboss_distance_constraints_5_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _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 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 17 1 . . . 1 2 18 1 . . . 1 2 19 1 . . . 1 2 20 1 . . . 1 2 21 1 . . . 1 2 22 1 . . . 1 2 23 1 . . . 1 2 24 1 . . . 1 2 25 1 . . . 1 2 26 1 . . . 1 2 27 1 . . . 1 2 28 1 . . . 1 2 29 1 . . . 1 2 30 1 . . . 1 2 31 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 8 LEU H 1 8 LEU HN 1 2 1 1 2 1 1 8 LEU HB3 1 8 LEU HB1 1 2 2 1 1 1 1 8 LEU H 1 8 LEU HN 1 2 2 1 2 1 1 8 LEU HB2 1 8 LEU HB2 1 2 3 1 1 1 1 9 CYS H 1 9 CYS HN 1 2 3 1 2 1 1 9 CYS HB2 1 9 CYS HB1 1 2 4 1 1 1 1 9 CYS H 1 9 CYS HN 1 2 4 1 2 1 1 9 CYS HB3 1 9 CYS HB2 1 2 5 1 1 1 1 9 CYS HA 1 9 CYS HA 1 2 5 1 2 1 1 9 CYS HB2 1 9 CYS HB1 1 2 6 1 1 1 1 14 CYS H 1 14 CYS HN 1 2 6 1 2 1 1 14 CYS HB3 1 14 CYS HB2 1 2 7 1 1 1 1 14 CYS H 1 14 CYS HN 1 2 7 1 2 1 1 14 CYS HB2 1 14 CYS HB1 1 2 8 1 1 1 1 14 CYS HA 1 14 CYS HA 1 2 8 1 2 1 1 14 CYS HB2 1 14 CYS HB1 1 2 9 1 1 1 1 14 CYS HA 1 14 CYS HA 1 2 9 1 2 1 1 14 CYS HB3 1 14 CYS HB2 1 2 10 1 1 1 1 17 ARG H 1 17 ARG+ HN 1 2 10 1 2 1 1 17 ARG HB3 1 17 ARG+ HB1 1 2 11 1 1 1 1 17 ARG H 1 17 ARG+ HN 1 2 11 1 2 1 1 17 ARG HB2 1 17 ARG+ HB2 1 2 12 1 1 1 1 17 ARG HA 1 17 ARG+ HA 1 2 12 1 2 1 1 17 ARG HB3 1 17 ARG+ HB1 1 2 13 1 1 1 1 18 PHE H 1 18 PHE HN 1 2 13 1 2 1 1 18 PHE HB3 1 18 PHE HB2 1 2 14 1 1 1 1 18 PHE H 1 18 PHE HN 1 2 14 1 2 1 1 18 PHE HB2 1 18 PHE HB1 1 2 15 1 1 1 1 18 PHE HA 1 18 PHE HA 1 2 15 1 2 1 1 18 PHE HB3 1 18 PHE HB2 1 2 16 1 1 1 1 21 GLU H 1 21 GLU- HN 1 2 16 1 2 1 1 21 GLU HB2 1 21 GLU- HB1 1 2 17 1 1 1 1 21 GLU H 1 21 GLU- HN 1 2 17 1 2 1 1 21 GLU HB3 1 21 GLU- HB2 1 2 18 1 1 1 1 21 GLU HA 1 21 GLU- HA 1 2 18 1 2 1 1 21 GLU HB2 1 21 GLU- HB1 1 2 19 1 1 1 1 26 VAL H 1 26 VAL HN 1 2 19 1 2 1 1 26 VAL MG1 1 26 VAL HG1* 1 2 20 1 1 1 1 27 HIS H 1 27 HIS HN 1 2 20 1 2 1 1 27 HIS HB3 1 27 HIS HB2 1 2 21 1 1 1 1 27 HIS HA 1 27 HIS HA 1 2 21 1 2 1 1 27 HIS HB2 1 27 HIS HB1 1 2 22 1 1 1 1 29 HIS H 1 29 HIS HN 1 2 22 1 2 1 1 29 HIS HB3 1 29 HIS HB2 1 2 23 1 1 1 1 29 HIS H 1 29 HIS HN 1 2 23 1 2 1 1 29 HIS HB2 1 29 HIS HB1 1 2 24 1 1 1 1 29 HIS HA 1 29 HIS HA 1 2 24 1 2 1 1 29 HIS HB2 1 29 HIS HB1 1 2 25 1 1 1 1 27 HIS HB3 1 27 HIS HB2 1 2 25 1 2 1 1 28 LYS HA 1 28 LYS+ HA 1 2 26 1 1 1 1 27 HIS HB3 1 27 HIS HB2 1 2 26 1 2 1 1 28 LYS QB 1 28 LYS+ HB* 1 2 27 1 1 1 1 27 HIS HB3 1 27 HIS HB2 1 2 27 1 2 1 1 28 LYS QD 1 28 LYS+ HD* 1 2 28 1 1 1 1 28 LYS HA 1 28 LYS+ HA 1 2 28 1 2 1 1 31 HIS HB2 1 31 HIS HB1 1 2 29 1 1 1 1 23 HIS HA 1 23 HIS HA 1 2 29 1 2 1 1 26 VAL MG1 1 26 VAL HG1* 1 2 30 1 1 1 1 23 HIS HA 1 23 HIS HA 1 2 30 1 2 1 1 26 VAL MG2 1 26 VAL HG2* 1 2 31 1 1 1 1 23 HIS HA 1 23 HIS HA 1 2 31 1 2 1 1 25 ALA MB 1 25 ALA HB* 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 4.0 1 2 2 1 . . . . . . -2.0 4.0 1 2 3 1 . . . . . . -2.0 4.0 1 2 4 1 . . . . . . -2.0 3.0 1 2 5 1 . . . . . . -2.0 3.0 1 2 6 1 . . . . . . -2.0 3.0 1 2 7 1 . . . . . . -2.0 4.0 1 2 8 1 . . . . . . -2.0 3.0 1 2 9 1 . . . . . . -2.0 3.0 1 2 10 1 . . . . . . -2.0 4.0 1 2 11 1 . . . . . . -2.0 3.0 1 2 12 1 . . . . . . -2.0 3.0 1 2 13 1 . . . . . . -2.0 4.0 1 2 14 1 . . . . . . -2.0 3.0 1 2 15 1 . . . . . . -2.0 3.0 1 2 16 1 . . . . . . -2.0 4.0 1 2 17 1 . . . . . . -2.0 3.0 1 2 18 1 . . . . . . -2.0 3.0 1 2 19 1 . . . . . . -2.0 4.5 1 2 20 1 . . . . . . -2.0 3.0 1 2 21 1 . . . . . . -2.0 3.0 1 2 22 1 . . . . . . -2.0 3.0 1 2 23 1 . . . . . . -2.0 4.0 1 2 24 1 . . . . . . -2.0 3.0 1 2 25 1 . . . . . . -2.0 5.0 1 2 26 1 . . . . . . -2.0 6.0 1 2 27 1 . . . . . . -2.0 6.0 1 2 28 1 . . . . . . -2.0 5.0 1 2 29 1 . . . . . . -2.0 5.5 1 2 30 1 . . . . . . -2.0 6.5 1 2 31 1 . . . . . . -2.0 5.5 1 2 stop_ save_ save_Emboss_distance_constraints_4_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 3 _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 3 2 1 . . . 1 3 3 1 . . . 1 3 4 1 . . . 1 3 5 1 . . . 1 3 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 21 GLU O 1 21 GLU- O 1 3 1 1 2 1 1 25 ALA N 1 25 ALA N 1 3 2 1 1 1 1 22 ASP O 1 22 ASP- O 1 3 2 1 2 1 1 26 VAL N 1 26 VAL N 1 3 3 1 1 1 1 23 HIS O 1 23 HIS O 1 3 3 1 2 1 1 27 HIS N 1 27 HIS N 1 3 4 1 1 1 1 26 VAL O 1 26 VAL O 1 3 4 1 2 1 1 30 LYS N 1 30 LYS+ N 1 3 5 1 1 1 1 28 LYS O 1 28 LYS+ O 1 3 5 1 2 1 1 32 GLU N 1 32 GLU- N 1 3 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 3.3 1 3 2 1 . . . . . . -2.0 3.3 1 3 3 1 . . . . . . -2.0 3.3 1 3 4 1 . . . . . . -2.0 3.3 1 3 5 1 . . . . . . -2.0 3.3 1 3 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 MET C C -18.900 2.746 7.630 1.00 . A A . 1 MET C 1 1 1 2 1 1 1 MET CA C -19.110 3.069 6.154 1.00 . A A . 1 MET CA 1 1 1 3 1 1 1 MET CB C -18.767 1.843 5.291 1.00 . A A . 1 MET CB 1 1 1 4 1 1 1 MET CE C -20.233 3.033 1.547 1.00 . A A . 1 MET CE 1 1 1 5 1 1 1 MET CG C -18.901 2.172 3.798 1.00 . A A . 1 MET CG 1 1 1 6 1 1 1 MET H1 H -18.486 5.005 6.383 1.00 . A A . 1 MET H1 1 1 1 7 1 1 1 MET H2 H -17.298 3.986 5.857 1.00 . A A . 1 MET H2 1 1 1 8 1 1 1 MET H3 H -18.481 4.489 4.817 1.00 . A A . 1 MET H3 1 1 1 9 1 1 1 MET HA H -20.159 3.326 6.001 1.00 . A A . 1 MET HA 1 1 1 10 1 1 1 MET HB2 H -17.743 1.530 5.500 1.00 . A A . 1 MET HB2 1 1 1 11 1 1 1 MET HB3 H -19.448 1.027 5.539 1.00 . A A . 1 MET HB3 1 1 1 12 1 1 1 MET HE1 H -19.980 2.066 1.112 1.00 . A A . 1 MET HE1 1 1 1 13 1 1 1 MET HE2 H -21.136 3.419 1.076 1.00 . A A . 1 MET HE2 1 1 1 14 1 1 1 MET HE3 H -19.412 3.731 1.386 1.00 . A A . 1 MET HE3 1 1 1 15 1 1 1 MET HG2 H -18.133 2.896 3.529 1.00 . A A . 1 MET HG2 1 1 1 16 1 1 1 MET HG3 H -18.725 1.257 3.230 1.00 . A A . 1 MET HG3 1 1 1 17 1 1 1 MET N N -18.281 4.228 5.770 1.00 . A A . 1 MET N 1 1 1 18 1 1 1 MET O O -18.118 3.411 8.304 1.00 . A A . 1 MET O 1 1 1 19 1 1 1 MET SD S -20.518 2.837 3.323 1.00 . A A . 1 MET SD 1 1 1 20 1 1 2 SER C C -18.057 0.739 9.741 1.00 . A A . 2 SER C 1 1 1 21 1 1 2 SER CA C -19.461 1.301 9.517 1.00 . A A . 2 SER CA 1 1 1 22 1 1 2 SER CB C -20.525 0.249 9.840 1.00 . A A . 2 SER CB 1 1 1 23 1 1 2 SER H H -20.233 1.210 7.536 1.00 . A A . 2 SER H 1 1 1 24 1 1 2 SER HA H -19.607 2.166 10.166 1.00 . A A . 2 SER HA 1 1 1 25 1 1 2 SER HB2 H -21.507 0.624 9.552 1.00 . A A . 2 SER HB2 1 1 1 26 1 1 2 SER HB3 H -20.313 -0.669 9.288 1.00 . A A . 2 SER HB3 1 1 1 27 1 1 2 SER HG H -19.631 -0.296 11.480 1.00 . A A . 2 SER HG 1 1 1 28 1 1 2 SER N N -19.597 1.718 8.130 1.00 . A A . 2 SER N 1 1 1 29 1 1 2 SER O O -17.431 1.021 10.761 1.00 . A A . 2 SER O 1 1 1 30 1 1 2 SER OG O -20.518 -0.024 11.225 1.00 . A A . 2 SER OG 1 1 1 31 1 1 3 ASP C C -15.420 -0.144 7.653 1.00 . A A . 3 ASP C 1 1 1 32 1 1 3 ASP CA C -16.245 -0.649 8.835 1.00 . A A . 3 ASP CA 1 1 1 33 1 1 3 ASP CB C -16.376 -2.177 8.808 1.00 . A A . 3 ASP CB 1 1 1 34 1 1 3 ASP CG C -15.008 -2.852 8.866 1.00 . A A . 3 ASP CG 1 1 1 35 1 1 3 ASP H H -18.139 -0.249 7.964 1.00 . A A . 3 ASP H 1 1 1 36 1 1 3 ASP HA H -15.756 -0.351 9.762 1.00 . A A . 3 ASP HA 1 1 1 37 1 1 3 ASP HB2 H -16.968 -2.501 9.664 1.00 . A A . 3 ASP HB2 1 1 1 38 1 1 3 ASP HB3 H -16.883 -2.478 7.889 1.00 . A A . 3 ASP HB3 1 1 1 39 1 1 3 ASP N N -17.571 -0.054 8.773 1.00 . A A . 3 ASP N 1 1 1 40 1 1 3 ASP O O -15.260 -0.847 6.656 1.00 . A A . 3 ASP O 1 1 1 41 1 1 3 ASP OD1 O -14.110 -2.276 9.518 1.00 . A A . 3 ASP OD1 1 1 1 42 1 1 3 ASP OD2 O -14.880 -3.939 8.260 1.00 . A A . 3 ASP OD2 1 1 1 43 1 1 4 ASP C C -12.833 0.848 6.489 1.00 . A A . 4 ASP C 1 1 1 44 1 1 4 ASP CA C -14.092 1.684 6.715 1.00 . A A . 4 ASP CA 1 1 1 45 1 1 4 ASP CB C -13.726 3.120 7.102 1.00 . A A . 4 ASP CB 1 1 1 46 1 1 4 ASP CG C -14.950 4.027 7.060 1.00 . A A . 4 ASP CG 1 1 1 47 1 1 4 ASP H H -15.069 1.621 8.607 1.00 . A A . 4 ASP H 1 1 1 48 1 1 4 ASP HA H -14.670 1.703 5.790 1.00 . A A . 4 ASP HA 1 1 1 49 1 1 4 ASP HB2 H -13.308 3.125 8.110 1.00 . A A . 4 ASP HB2 1 1 1 50 1 1 4 ASP HB3 H -12.980 3.500 6.404 1.00 . A A . 4 ASP HB3 1 1 1 51 1 1 4 ASP N N -14.902 1.085 7.768 1.00 . A A . 4 ASP N 1 1 1 52 1 1 4 ASP O O -12.370 0.727 5.358 1.00 . A A . 4 ASP O 1 1 1 53 1 1 4 ASP OD1 O -15.591 4.072 5.986 1.00 . A A . 4 ASP OD1 1 1 1 54 1 1 4 ASP OD2 O -15.226 4.658 8.101 1.00 . A A . 4 ASP OD2 1 1 1 55 1 1 5 LYS C C -9.934 0.194 6.883 1.00 . A A . 5 LYS C 1 1 1 56 1 1 5 LYS CA C -11.107 -0.574 7.508 1.00 . A A . 5 LYS CA 1 1 1 57 1 1 5 LYS CB C -11.443 -1.838 6.697 1.00 . A A . 5 LYS CB 1 1 1 58 1 1 5 LYS CD C -10.996 -4.201 7.411 1.00 . A A . 5 LYS CD 1 1 1 59 1 1 5 LYS CE C -11.392 -4.040 8.885 1.00 . A A . 5 LYS CE 1 1 1 60 1 1 5 LYS CG C -10.356 -2.905 6.901 1.00 . A A . 5 LYS CG 1 1 1 61 1 1 5 LYS H H -12.718 0.419 8.476 1.00 . A A . 5 LYS H 1 1 1 62 1 1 5 LYS HA H -10.837 -0.872 8.519 1.00 . A A . 5 LYS HA 1 1 1 63 1 1 5 LYS HB2 H -12.404 -2.230 7.029 1.00 . A A . 5 LYS HB2 1 1 1 64 1 1 5 LYS HB3 H -11.507 -1.589 5.638 1.00 . A A . 5 LYS HB3 1 1 1 65 1 1 5 LYS HD2 H -11.882 -4.426 6.815 1.00 . A A . 5 LYS HD2 1 1 1 66 1 1 5 LYS HD3 H -10.280 -5.020 7.316 1.00 . A A . 5 LYS HD3 1 1 1 67 1 1 5 LYS HE2 H -10.541 -4.303 9.515 1.00 . A A . 5 LYS HE2 1 1 1 68 1 1 5 LYS HE3 H -11.667 -3.004 9.074 1.00 . A A . 5 LYS HE3 1 1 1 69 1 1 5 LYS HG2 H -9.859 -3.098 5.949 1.00 . A A . 5 LYS HG2 1 1 1 70 1 1 5 LYS HG3 H -9.621 -2.552 7.625 1.00 . A A . 5 LYS HG3 1 1 1 71 1 1 5 LYS HZ1 H -12.304 -5.868 9.025 1.00 . A A . 5 LYS HZ1 1 1 1 72 1 1 5 LYS HZ2 H -12.748 -4.808 10.208 1.00 . A A . 5 LYS HZ2 1 1 1 73 1 1 5 LYS HZ3 H -13.344 -4.629 8.678 1.00 . A A . 5 LYS HZ3 1 1 1 74 1 1 5 LYS N N -12.291 0.272 7.573 1.00 . A A . 5 LYS N 1 1 1 75 1 1 5 LYS NZ N -12.534 -4.905 9.227 1.00 . A A . 5 LYS NZ 1 1 1 76 1 1 5 LYS O O -9.597 -0.032 5.726 1.00 . A A . 5 LYS O 1 1 1 77 1 1 6 PRO C C -7.033 0.970 6.759 1.00 . A A . 6 PRO C 1 1 1 78 1 1 6 PRO CA C -8.187 1.889 7.163 1.00 . A A . 6 PRO CA 1 1 1 79 1 1 6 PRO CB C -7.793 2.821 8.313 1.00 . A A . 6 PRO CB 1 1 1 80 1 1 6 PRO CD C -9.673 1.397 9.020 1.00 . A A . 6 PRO CD 1 1 1 81 1 1 6 PRO CG C -8.710 2.485 9.497 1.00 . A A . 6 PRO CG 1 1 1 82 1 1 6 PRO HA H -8.502 2.483 6.303 1.00 . A A . 6 PRO HA 1 1 1 83 1 1 6 PRO HB2 H -6.751 2.658 8.590 1.00 . A A . 6 PRO HB2 1 1 1 84 1 1 6 PRO HB3 H -7.940 3.858 8.014 1.00 . A A . 6 PRO HB3 1 1 1 85 1 1 6 PRO HD2 H -9.561 0.505 9.636 1.00 . A A . 6 PRO HD2 1 1 1 86 1 1 6 PRO HD3 H -10.699 1.761 9.065 1.00 . A A . 6 PRO HD3 1 1 1 87 1 1 6 PRO HG2 H -8.116 2.115 10.334 1.00 . A A . 6 PRO HG2 1 1 1 88 1 1 6 PRO HG3 H -9.268 3.371 9.800 1.00 . A A . 6 PRO HG3 1 1 1 89 1 1 6 PRO N N -9.303 1.107 7.649 1.00 . A A . 6 PRO N 1 1 1 90 1 1 6 PRO O O -6.472 0.268 7.601 1.00 . A A . 6 PRO O 1 1 1 91 1 1 7 PHE C C -4.270 0.825 5.160 1.00 . A A . 7 PHE C 1 1 1 92 1 1 7 PHE CA C -5.616 0.139 4.949 1.00 . A A . 7 PHE CA 1 1 1 93 1 1 7 PHE CB C -5.870 -0.134 3.464 1.00 . A A . 7 PHE CB 1 1 1 94 1 1 7 PHE CD1 C -8.362 -0.233 3.045 1.00 . A A . 7 PHE CD1 1 1 1 95 1 1 7 PHE CD2 C -7.113 -2.318 3.187 1.00 . A A . 7 PHE CD2 1 1 1 96 1 1 7 PHE CE1 C -9.547 -0.960 2.842 1.00 . A A . 7 PHE CE1 1 1 1 97 1 1 7 PHE CE2 C -8.298 -3.042 2.979 1.00 . A A . 7 PHE CE2 1 1 1 98 1 1 7 PHE CG C -7.144 -0.913 3.220 1.00 . A A . 7 PHE CG 1 1 1 99 1 1 7 PHE CZ C -9.515 -2.363 2.807 1.00 . A A . 7 PHE CZ 1 1 1 100 1 1 7 PHE H H -7.176 1.579 4.823 1.00 . A A . 7 PHE H 1 1 1 101 1 1 7 PHE HA H -5.617 -0.812 5.484 1.00 . A A . 7 PHE HA 1 1 1 102 1 1 7 PHE HB2 H -5.932 0.818 2.934 1.00 . A A . 7 PHE HB2 1 1 1 103 1 1 7 PHE HB3 H -5.033 -0.702 3.065 1.00 . A A . 7 PHE HB3 1 1 1 104 1 1 7 PHE HD1 H -8.389 0.846 3.078 1.00 . A A . 7 PHE HD1 1 1 1 105 1 1 7 PHE HD2 H -6.179 -2.841 3.325 1.00 . A A . 7 PHE HD2 1 1 1 106 1 1 7 PHE HE1 H -10.484 -0.438 2.718 1.00 . A A . 7 PHE HE1 1 1 1 107 1 1 7 PHE HE2 H -8.274 -4.122 2.957 1.00 . A A . 7 PHE HE2 1 1 1 108 1 1 7 PHE HZ H -10.428 -2.920 2.653 1.00 . A A . 7 PHE HZ 1 1 1 109 1 1 7 PHE N N -6.684 0.978 5.468 1.00 . A A . 7 PHE N 1 1 1 110 1 1 7 PHE O O -3.869 1.665 4.357 1.00 . A A . 7 PHE O 1 1 1 111 1 1 8 LEU C C -1.176 0.239 5.878 1.00 . A A . 8 LEU C 1 1 1 112 1 1 8 LEU CA C -2.280 1.034 6.574 1.00 . A A . 8 LEU CA 1 1 1 113 1 1 8 LEU CB C -2.077 1.015 8.097 1.00 . A A . 8 LEU CB 1 1 1 114 1 1 8 LEU CD1 C -2.985 1.720 10.320 1.00 . A A . 8 LEU CD1 1 1 1 115 1 1 8 LEU CD2 C -3.238 3.235 8.350 1.00 . A A . 8 LEU CD2 1 1 1 116 1 1 8 LEU CG C -3.211 1.773 8.807 1.00 . A A . 8 LEU CG 1 1 1 117 1 1 8 LEU H H -3.962 -0.235 6.870 1.00 . A A . 8 LEU H 1 1 1 118 1 1 8 LEU HA H -2.244 2.066 6.225 1.00 . A A . 8 LEU HA 1 1 1 119 1 1 8 LEU HB2 H -2.066 -0.018 8.445 1.00 . A A . 8 LEU HB2 1 1 1 120 1 1 8 LEU HB3 H -1.123 1.484 8.339 1.00 . A A . 8 LEU HB3 1 1 1 121 1 1 8 LEU HD11 H -2.953 0.679 10.645 1.00 . A A . 8 LEU HD11 1 1 1 122 1 1 8 LEU HD12 H -2.041 2.207 10.565 1.00 . A A . 8 LEU HD12 1 1 1 123 1 1 8 LEU HD13 H -3.801 2.233 10.829 1.00 . A A . 8 LEU HD13 1 1 1 124 1 1 8 LEU HD21 H -2.230 3.649 8.387 1.00 . A A . 8 LEU HD21 1 1 1 125 1 1 8 LEU HD22 H -3.618 3.292 7.331 1.00 . A A . 8 LEU HD22 1 1 1 126 1 1 8 LEU HD23 H -3.890 3.810 9.008 1.00 . A A . 8 LEU HD23 1 1 1 127 1 1 8 LEU HG H -4.167 1.305 8.573 1.00 . A A . 8 LEU HG 1 1 1 128 1 1 8 LEU N N -3.578 0.461 6.247 1.00 . A A . 8 LEU N 1 1 1 129 1 1 8 LEU O O -0.963 -0.934 6.182 1.00 . A A . 8 LEU O 1 1 1 130 1 1 9 CYS C C 1.764 -0.092 5.139 1.00 . A A . 9 CYS C 1 1 1 131 1 1 9 CYS CA C 0.610 0.247 4.203 1.00 . A A . 9 CYS CA 1 1 1 132 1 1 9 CYS CB C 1.089 1.195 3.103 1.00 . A A . 9 CYS CB 1 1 1 133 1 1 9 CYS H H -0.695 1.845 4.726 1.00 . A A . 9 CYS H 1 1 1 134 1 1 9 CYS HA H 0.240 -0.672 3.746 1.00 . A A . 9 CYS HA 1 1 1 135 1 1 9 CYS HB2 H 0.343 1.248 2.314 1.00 . A A . 9 CYS HB2 1 1 1 136 1 1 9 CYS HB3 H 1.249 2.186 3.519 1.00 . A A . 9 CYS HB3 1 1 1 137 1 1 9 CYS N N -0.474 0.882 4.941 1.00 . A A . 9 CYS N 1 1 1 138 1 1 9 CYS O O 2.135 0.712 5.985 1.00 . A A . 9 CYS O 1 1 1 139 1 1 9 CYS SG S 2.649 0.573 2.423 1.00 . A A . 9 CYS SG 1 1 1 140 1 1 10 THR C C 4.766 -1.398 4.994 1.00 . A A . 10 THR C 1 1 1 141 1 1 10 THR CA C 3.476 -1.722 5.755 1.00 . A A . 10 THR CA 1 1 1 142 1 1 10 THR CB C 3.349 -3.228 6.021 1.00 . A A . 10 THR CB 1 1 1 143 1 1 10 THR CG2 C 2.264 -3.473 7.071 1.00 . A A . 10 THR CG2 1 1 1 144 1 1 10 THR H H 1.982 -1.916 4.263 1.00 . A A . 10 THR H 1 1 1 145 1 1 10 THR HA H 3.484 -1.192 6.708 1.00 . A A . 10 THR HA 1 1 1 146 1 1 10 THR HB H 4.301 -3.614 6.391 1.00 . A A . 10 THR HB 1 1 1 147 1 1 10 THR HG1 H 2.768 -4.806 5.041 1.00 . A A . 10 THR HG1 1 1 1 148 1 1 10 THR HG21 H 2.524 -2.955 7.995 1.00 . A A . 10 THR HG21 1 1 1 149 1 1 10 THR HG22 H 1.308 -3.098 6.703 1.00 . A A . 10 THR HG22 1 1 1 150 1 1 10 THR HG23 H 2.180 -4.542 7.267 1.00 . A A . 10 THR HG23 1 1 1 151 1 1 10 THR N N 2.338 -1.286 4.968 1.00 . A A . 10 THR N 1 1 1 152 1 1 10 THR O O 5.344 -2.274 4.350 1.00 . A A . 10 THR O 1 1 1 153 1 1 10 THR OG1 O 3.001 -3.898 4.824 1.00 . A A . 10 THR OG1 1 1 1 154 1 1 11 ALA C C 7.189 1.250 5.329 1.00 . A A . 11 ALA C 1 1 1 155 1 1 11 ALA CA C 6.429 0.302 4.398 1.00 . A A . 11 ALA CA 1 1 1 156 1 1 11 ALA CB C 6.070 0.994 3.083 1.00 . A A . 11 ALA CB 1 1 1 157 1 1 11 ALA H H 4.701 0.556 5.603 1.00 . A A . 11 ALA H 1 1 1 158 1 1 11 ALA HA H 7.046 -0.568 4.183 1.00 . A A . 11 ALA HA 1 1 1 159 1 1 11 ALA HB1 H 5.343 1.783 3.273 1.00 . A A . 11 ALA HB1 1 1 1 160 1 1 11 ALA HB2 H 6.968 1.426 2.640 1.00 . A A . 11 ALA HB2 1 1 1 161 1 1 11 ALA HB3 H 5.642 0.265 2.394 1.00 . A A . 11 ALA HB3 1 1 1 162 1 1 11 ALA N N 5.214 -0.131 5.065 1.00 . A A . 11 ALA N 1 1 1 163 1 1 11 ALA O O 6.565 2.056 6.021 1.00 . A A . 11 ALA O 1 1 1 164 1 1 12 PRO C C 9.298 3.432 5.839 1.00 . A A . 12 PRO C 1 1 1 165 1 1 12 PRO CA C 9.358 1.963 6.235 1.00 . A A . 12 PRO CA 1 1 1 166 1 1 12 PRO CB C 10.776 1.418 6.062 1.00 . A A . 12 PRO CB 1 1 1 167 1 1 12 PRO CD C 9.293 0.242 4.532 1.00 . A A . 12 PRO CD 1 1 1 168 1 1 12 PRO CG C 10.753 0.614 4.764 1.00 . A A . 12 PRO CG 1 1 1 169 1 1 12 PRO HA H 9.037 1.841 7.271 1.00 . A A . 12 PRO HA 1 1 1 170 1 1 12 PRO HB2 H 11.496 2.235 5.990 1.00 . A A . 12 PRO HB2 1 1 1 171 1 1 12 PRO HB3 H 11.029 0.768 6.900 1.00 . A A . 12 PRO HB3 1 1 1 172 1 1 12 PRO HD2 H 9.035 0.369 3.480 1.00 . A A . 12 PRO HD2 1 1 1 173 1 1 12 PRO HD3 H 9.116 -0.788 4.845 1.00 . A A . 12 PRO HD3 1 1 1 174 1 1 12 PRO HG2 H 11.108 1.235 3.941 1.00 . A A . 12 PRO HG2 1 1 1 175 1 1 12 PRO HG3 H 11.367 -0.281 4.856 1.00 . A A . 12 PRO HG3 1 1 1 176 1 1 12 PRO N N 8.531 1.155 5.360 1.00 . A A . 12 PRO N 1 1 1 177 1 1 12 PRO O O 9.601 3.779 4.697 1.00 . A A . 12 PRO O 1 1 1 178 1 1 13 GLY C C 7.676 6.148 5.704 1.00 . A A . 13 GLY C 1 1 1 179 1 1 13 GLY CA C 8.878 5.733 6.554 1.00 . A A . 13 GLY CA 1 1 1 180 1 1 13 GLY H H 8.659 3.953 7.698 1.00 . A A . 13 GLY H 1 1 1 181 1 1 13 GLY HA2 H 8.824 6.242 7.517 1.00 . A A . 13 GLY HA2 1 1 1 182 1 1 13 GLY HA3 H 9.794 6.037 6.045 1.00 . A A . 13 GLY HA3 1 1 1 183 1 1 13 GLY N N 8.918 4.297 6.784 1.00 . A A . 13 GLY N 1 1 1 184 1 1 13 GLY O O 7.102 7.209 5.938 1.00 . A A . 13 GLY O 1 1 1 185 1 1 14 CYS C C 4.859 5.463 4.545 1.00 . A A . 14 CYS C 1 1 1 186 1 1 14 CYS CA C 6.189 5.684 3.828 1.00 . A A . 14 CYS CA 1 1 1 187 1 1 14 CYS CB C 6.272 4.859 2.546 1.00 . A A . 14 CYS CB 1 1 1 188 1 1 14 CYS H H 7.779 4.449 4.559 1.00 . A A . 14 CYS H 1 1 1 189 1 1 14 CYS HA H 6.273 6.738 3.564 1.00 . A A . 14 CYS HA 1 1 1 190 1 1 14 CYS HB2 H 7.188 5.104 2.010 1.00 . A A . 14 CYS HB2 1 1 1 191 1 1 14 CYS HB3 H 6.265 3.800 2.790 1.00 . A A . 14 CYS HB3 1 1 1 192 1 1 14 CYS N N 7.292 5.332 4.711 1.00 . A A . 14 CYS N 1 1 1 193 1 1 14 CYS O O 4.129 6.417 4.784 1.00 . A A . 14 CYS O 1 1 1 194 1 1 14 CYS SG S 4.840 5.251 1.511 1.00 . A A . 14 CYS SG 1 1 1 195 1 1 15 GLY C C 2.150 4.707 5.273 1.00 . A A . 15 GLY C 1 1 1 196 1 1 15 GLY CA C 3.345 3.801 5.591 1.00 . A A . 15 GLY CA 1 1 1 197 1 1 15 GLY H H 5.221 3.464 4.650 1.00 . A A . 15 GLY H 1 1 1 198 1 1 15 GLY HA2 H 3.096 2.783 5.308 1.00 . A A . 15 GLY HA2 1 1 1 199 1 1 15 GLY HA3 H 3.536 3.832 6.664 1.00 . A A . 15 GLY HA3 1 1 1 200 1 1 15 GLY N N 4.566 4.195 4.883 1.00 . A A . 15 GLY N 1 1 1 201 1 1 15 GLY O O 1.589 5.323 6.176 1.00 . A A . 15 GLY O 1 1 1 202 1 1 16 GLN C C -0.691 4.853 3.917 1.00 . A A . 16 GLN C 1 1 1 203 1 1 16 GLN CA C 0.609 5.593 3.595 1.00 . A A . 16 GLN CA 1 1 1 204 1 1 16 GLN CB C 0.703 5.915 2.100 1.00 . A A . 16 GLN CB 1 1 1 205 1 1 16 GLN CD C 1.874 7.379 0.408 1.00 . A A . 16 GLN CD 1 1 1 206 1 1 16 GLN CG C 1.661 7.092 1.892 1.00 . A A . 16 GLN CG 1 1 1 207 1 1 16 GLN H H 2.245 4.263 3.283 1.00 . A A . 16 GLN H 1 1 1 208 1 1 16 GLN HA H 0.625 6.529 4.156 1.00 . A A . 16 GLN HA 1 1 1 209 1 1 16 GLN HB2 H 1.072 5.043 1.562 1.00 . A A . 16 GLN HB2 1 1 1 210 1 1 16 GLN HB3 H -0.284 6.183 1.721 1.00 . A A . 16 GLN HB3 1 1 1 211 1 1 16 GLN HE21 H 3.357 8.706 0.835 1.00 . A A . 16 GLN HE21 1 1 1 212 1 1 16 GLN HE22 H 3.012 8.481 -0.866 1.00 . A A . 16 GLN HE22 1 1 1 213 1 1 16 GLN HG2 H 1.245 7.979 2.368 1.00 . A A . 16 GLN HG2 1 1 1 214 1 1 16 GLN HG3 H 2.620 6.858 2.351 1.00 . A A . 16 GLN HG3 1 1 1 215 1 1 16 GLN N N 1.752 4.781 3.995 1.00 . A A . 16 GLN N 1 1 1 216 1 1 16 GLN NE2 N 2.825 8.259 0.101 1.00 . A A . 16 GLN NE2 1 1 1 217 1 1 16 GLN O O -0.667 3.675 4.281 1.00 . A A . 16 GLN O 1 1 1 218 1 1 16 GLN OE1 O 1.195 6.814 -0.443 1.00 . A A . 16 GLN OE1 1 1 1 219 1 1 17 ARG C C -4.047 5.214 2.873 1.00 . A A . 17 ARG C 1 1 1 220 1 1 17 ARG CA C -3.139 4.997 4.072 1.00 . A A . 17 ARG CA 1 1 1 221 1 1 17 ARG CB C -3.705 5.675 5.326 1.00 . A A . 17 ARG CB 1 1 1 222 1 1 17 ARG CD C -6.196 6.074 5.145 1.00 . A A . 17 ARG CD 1 1 1 223 1 1 17 ARG CG C -5.104 5.124 5.663 1.00 . A A . 17 ARG CG 1 1 1 224 1 1 17 ARG CZ C -6.617 7.613 7.049 1.00 . A A . 17 ARG CZ 1 1 1 225 1 1 17 ARG H H -1.776 6.512 3.462 1.00 . A A . 17 ARG H 1 1 1 226 1 1 17 ARG HA H -3.043 3.930 4.258 1.00 . A A . 17 ARG HA 1 1 1 227 1 1 17 ARG HB2 H -3.038 5.479 6.162 1.00 . A A . 17 ARG HB2 1 1 1 228 1 1 17 ARG HB3 H -3.765 6.750 5.161 1.00 . A A . 17 ARG HB3 1 1 1 229 1 1 17 ARG HD2 H -6.069 6.220 4.075 1.00 . A A . 17 ARG HD2 1 1 1 230 1 1 17 ARG HD3 H -7.174 5.626 5.325 1.00 . A A . 17 ARG HD3 1 1 1 231 1 1 17 ARG HE H -5.695 8.143 5.310 1.00 . A A . 17 ARG HE 1 1 1 232 1 1 17 ARG HG2 H -5.232 4.141 5.208 1.00 . A A . 17 ARG HG2 1 1 1 233 1 1 17 ARG HG3 H -5.198 5.027 6.745 1.00 . A A . 17 ARG HG3 1 1 1 234 1 1 17 ARG HH11 H -7.228 5.691 7.358 1.00 . A A . 17 ARG HH11 1 1 1 235 1 1 17 ARG HH12 H -7.562 6.798 8.667 1.00 . A A . 17 ARG HH12 1 1 1 236 1 1 17 ARG HH21 H -6.105 9.588 7.057 1.00 . A A . 17 ARG HH21 1 1 1 237 1 1 17 ARG HH22 H -6.905 9.017 8.502 1.00 . A A . 17 ARG HH22 1 1 1 238 1 1 17 ARG N N -1.823 5.554 3.781 1.00 . A A . 17 ARG N 1 1 1 239 1 1 17 ARG NE N -6.130 7.384 5.815 1.00 . A A . 17 ARG NE 1 1 1 240 1 1 17 ARG NH1 N -7.182 6.619 7.748 1.00 . A A . 17 ARG NH1 1 1 1 241 1 1 17 ARG NH2 N -6.536 8.839 7.580 1.00 . A A . 17 ARG NH2 1 1 1 242 1 1 17 ARG O O -3.927 6.222 2.178 1.00 . A A . 17 ARG O 1 1 1 243 1 1 18 PHE C C -7.268 3.882 1.946 1.00 . A A . 18 PHE C 1 1 1 244 1 1 18 PHE CA C -5.880 4.337 1.512 1.00 . A A . 18 PHE CA 1 1 1 245 1 1 18 PHE CB C -5.355 3.469 0.367 1.00 . A A . 18 PHE CB 1 1 1 246 1 1 18 PHE CD1 C -2.857 3.322 0.712 1.00 . A A . 18 PHE CD1 1 1 1 247 1 1 18 PHE CD2 C -3.700 4.651 -1.143 1.00 . A A . 18 PHE CD2 1 1 1 248 1 1 18 PHE CE1 C -1.543 3.655 0.358 1.00 . A A . 18 PHE CE1 1 1 1 249 1 1 18 PHE CE2 C -2.382 4.984 -1.499 1.00 . A A . 18 PHE CE2 1 1 1 250 1 1 18 PHE CG C -3.938 3.817 -0.037 1.00 . A A . 18 PHE CG 1 1 1 251 1 1 18 PHE CZ C -1.304 4.485 -0.747 1.00 . A A . 18 PHE CZ 1 1 1 252 1 1 18 PHE H H -5.009 3.460 3.247 1.00 . A A . 18 PHE H 1 1 1 253 1 1 18 PHE HA H -5.944 5.370 1.169 1.00 . A A . 18 PHE HA 1 1 1 254 1 1 18 PHE HB2 H -5.385 2.423 0.678 1.00 . A A . 18 PHE HB2 1 1 1 255 1 1 18 PHE HB3 H -6.009 3.597 -0.493 1.00 . A A . 18 PHE HB3 1 1 1 256 1 1 18 PHE HD1 H -3.043 2.692 1.566 1.00 . A A . 18 PHE HD1 1 1 1 257 1 1 18 PHE HD2 H -4.528 5.041 -1.717 1.00 . A A . 18 PHE HD2 1 1 1 258 1 1 18 PHE HE1 H -0.716 3.277 0.937 1.00 . A A . 18 PHE HE1 1 1 1 259 1 1 18 PHE HE2 H -2.197 5.627 -2.347 1.00 . A A . 18 PHE HE2 1 1 1 260 1 1 18 PHE HZ H -0.294 4.744 -1.015 1.00 . A A . 18 PHE HZ 1 1 1 261 1 1 18 PHE N N -4.957 4.263 2.634 1.00 . A A . 18 PHE N 1 1 1 262 1 1 18 PHE O O -7.429 3.285 3.012 1.00 . A A . 18 PHE O 1 1 1 263 1 1 19 THR C C -9.940 2.380 1.013 1.00 . A A . 19 THR C 1 1 1 264 1 1 19 THR CA C -9.654 3.833 1.390 1.00 . A A . 19 THR CA 1 1 1 265 1 1 19 THR CB C -10.564 4.778 0.600 1.00 . A A . 19 THR CB 1 1 1 266 1 1 19 THR CG2 C -10.536 6.171 1.230 1.00 . A A . 19 THR CG2 1 1 1 267 1 1 19 THR H H -8.071 4.663 0.248 1.00 . A A . 19 THR H 1 1 1 268 1 1 19 THR HA H -9.847 3.965 2.456 1.00 . A A . 19 THR HA 1 1 1 269 1 1 19 THR HB H -11.586 4.394 0.615 1.00 . A A . 19 THR HB 1 1 1 270 1 1 19 THR HG1 H -10.737 5.384 -1.240 1.00 . A A . 19 THR HG1 1 1 1 271 1 1 19 THR HG21 H -10.874 6.110 2.265 1.00 . A A . 19 THR HG21 1 1 1 272 1 1 19 THR HG22 H -9.520 6.564 1.203 1.00 . A A . 19 THR HG22 1 1 1 273 1 1 19 THR HG23 H -11.197 6.836 0.672 1.00 . A A . 19 THR HG23 1 1 1 274 1 1 19 THR N N -8.269 4.177 1.110 1.00 . A A . 19 THR N 1 1 1 275 1 1 19 THR O O -10.833 1.766 1.591 1.00 . A A . 19 THR O 1 1 1 276 1 1 19 THR OG1 O -10.111 4.858 -0.737 1.00 . A A . 19 THR OG1 1 1 1 277 1 1 20 ASN C C -8.060 -0.272 -0.451 1.00 . A A . 20 ASN C 1 1 1 278 1 1 20 ASN CA C -9.388 0.462 -0.416 1.00 . A A . 20 ASN CA 1 1 1 279 1 1 20 ASN CB C -10.004 0.458 -1.819 1.00 . A A . 20 ASN CB 1 1 1 280 1 1 20 ASN CG C -11.169 1.430 -1.927 1.00 . A A . 20 ASN CG 1 1 1 281 1 1 20 ASN H H -8.464 2.379 -0.399 1.00 . A A . 20 ASN H 1 1 1 282 1 1 20 ASN HA H -10.061 -0.055 0.267 1.00 . A A . 20 ASN HA 1 1 1 283 1 1 20 ASN HB2 H -9.238 0.738 -2.543 1.00 . A A . 20 ASN HB2 1 1 1 284 1 1 20 ASN HB3 H -10.359 -0.547 -2.049 1.00 . A A . 20 ASN HB3 1 1 1 285 1 1 20 ASN HD21 H -10.181 2.488 -3.355 1.00 . A A . 20 ASN HD21 1 1 1 286 1 1 20 ASN HD22 H -11.777 3.082 -2.937 1.00 . A A . 20 ASN HD22 1 1 1 287 1 1 20 ASN N N -9.191 1.834 0.040 1.00 . A A . 20 ASN N 1 1 1 288 1 1 20 ASN ND2 N -11.034 2.414 -2.811 1.00 . A A . 20 ASN ND2 1 1 1 289 1 1 20 ASN O O -6.994 0.348 -0.412 1.00 . A A . 20 ASN O 1 1 1 290 1 1 20 ASN OD1 O -12.169 1.291 -1.230 1.00 . A A . 20 ASN OD1 1 1 1 291 1 1 21 GLU C C -6.368 -2.331 -2.053 1.00 . A A . 21 GLU C 1 1 1 292 1 1 21 GLU CA C -6.949 -2.434 -0.637 1.00 . A A . 21 GLU CA 1 1 1 293 1 1 21 GLU CB C -7.336 -3.886 -0.303 1.00 . A A . 21 GLU CB 1 1 1 294 1 1 21 GLU CD C -5.067 -4.978 -0.578 1.00 . A A . 21 GLU CD 1 1 1 295 1 1 21 GLU CG C -6.176 -4.606 0.401 1.00 . A A . 21 GLU CG 1 1 1 296 1 1 21 GLU H H -9.034 -2.050 -0.557 1.00 . A A . 21 GLU H 1 1 1 297 1 1 21 GLU HA H -6.210 -2.082 0.082 1.00 . A A . 21 GLU HA 1 1 1 298 1 1 21 GLU HB2 H -8.202 -3.883 0.358 1.00 . A A . 21 GLU HB2 1 1 1 299 1 1 21 GLU HB3 H -7.591 -4.416 -1.222 1.00 . A A . 21 GLU HB3 1 1 1 300 1 1 21 GLU HG2 H -5.767 -3.959 1.176 1.00 . A A . 21 GLU HG2 1 1 1 301 1 1 21 GLU HG3 H -6.555 -5.517 0.864 1.00 . A A . 21 GLU HG3 1 1 1 302 1 1 21 GLU N N -8.131 -1.600 -0.544 1.00 . A A . 21 GLU N 1 1 1 303 1 1 21 GLU O O -5.198 -2.617 -2.260 1.00 . A A . 21 GLU O 1 1 1 304 1 1 21 GLU OE1 O -5.397 -5.637 -1.589 1.00 . A A . 21 GLU OE1 1 1 1 305 1 1 21 GLU OE2 O -3.909 -4.600 -0.295 1.00 . A A . 21 GLU OE2 1 1 1 306 1 1 22 ASP C C -5.571 -0.841 -4.506 1.00 . A A . 22 ASP C 1 1 1 307 1 1 22 ASP CA C -6.762 -1.787 -4.412 1.00 . A A . 22 ASP CA 1 1 1 308 1 1 22 ASP CB C -7.929 -1.250 -5.243 1.00 . A A . 22 ASP CB 1 1 1 309 1 1 22 ASP CG C -7.469 -0.855 -6.643 1.00 . A A . 22 ASP CG 1 1 1 310 1 1 22 ASP H H -8.152 -1.673 -2.803 1.00 . A A . 22 ASP H 1 1 1 311 1 1 22 ASP HA H -6.474 -2.768 -4.791 1.00 . A A . 22 ASP HA 1 1 1 312 1 1 22 ASP HB2 H -8.699 -2.017 -5.321 1.00 . A A . 22 ASP HB2 1 1 1 313 1 1 22 ASP HB3 H -8.347 -0.373 -4.746 1.00 . A A . 22 ASP HB3 1 1 1 314 1 1 22 ASP N N -7.194 -1.913 -3.026 1.00 . A A . 22 ASP N 1 1 1 315 1 1 22 ASP O O -4.552 -1.164 -5.120 1.00 . A A . 22 ASP O 1 1 1 316 1 1 22 ASP OD1 O -7.512 -1.737 -7.525 1.00 . A A . 22 ASP OD1 1 1 1 317 1 1 22 ASP OD2 O -7.082 0.327 -6.802 1.00 . A A . 22 ASP OD2 1 1 1 318 1 1 23 HIS C C -3.473 0.884 -3.129 1.00 . A A . 23 HIS C 1 1 1 319 1 1 23 HIS CA C -4.676 1.346 -3.942 1.00 . A A . 23 HIS CA 1 1 1 320 1 1 23 HIS CB C -5.235 2.661 -3.393 1.00 . A A . 23 HIS CB 1 1 1 321 1 1 23 HIS CD2 C -7.657 3.703 -3.348 1.00 . A A . 23 HIS CD2 1 1 1 322 1 1 23 HIS CE1 C -8.388 2.966 -5.209 1.00 . A A . 23 HIS CE1 1 1 1 323 1 1 23 HIS CG C -6.628 2.972 -3.888 1.00 . A A . 23 HIS CG 1 1 1 324 1 1 23 HIS H H -6.560 0.536 -3.397 1.00 . A A . 23 HIS H 1 1 1 325 1 1 23 HIS HA H -4.370 1.493 -4.977 1.00 . A A . 23 HIS HA 1 1 1 326 1 1 23 HIS HB2 H -5.261 2.599 -2.307 1.00 . A A . 23 HIS HB2 1 1 1 327 1 1 23 HIS HB3 H -4.568 3.473 -3.683 1.00 . A A . 23 HIS HB3 1 1 1 328 1 1 23 HIS HD1 H -6.643 1.916 -5.774 1.00 . A A . 23 HIS HD1 1 1 1 329 1 1 23 HIS HD2 H -7.603 4.211 -2.396 1.00 . A A . 23 HIS HD2 1 1 1 330 1 1 23 HIS HE1 H -9.026 2.756 -6.055 1.00 . A A . 23 HIS HE1 1 1 1 331 1 1 23 HIS N N -5.709 0.333 -3.900 1.00 . A A . 23 HIS N 1 1 1 332 1 1 23 HIS ND1 N -7.129 2.501 -5.101 1.00 . A A . 23 HIS ND1 1 1 1 333 1 1 23 HIS NE2 N -8.774 3.707 -4.170 1.00 . A A . 23 HIS NE2 1 1 1 334 1 1 23 HIS O O -2.335 1.201 -3.465 1.00 . A A . 23 HIS O 1 1 1 335 1 1 24 LEU C C -1.870 -1.446 -1.986 1.00 . A A . 24 LEU C 1 1 1 336 1 1 24 LEU CA C -2.665 -0.390 -1.216 1.00 . A A . 24 LEU CA 1 1 1 337 1 1 24 LEU CB C -3.274 -0.995 0.047 1.00 . A A . 24 LEU CB 1 1 1 338 1 1 24 LEU CD1 C -2.274 0.176 2.023 1.00 . A A . 24 LEU CD1 1 1 1 339 1 1 24 LEU CD2 C -2.475 -2.310 2.028 1.00 . A A . 24 LEU CD2 1 1 1 340 1 1 24 LEU CG C -2.211 -1.078 1.159 1.00 . A A . 24 LEU CG 1 1 1 341 1 1 24 LEU H H -4.684 -0.101 -1.824 1.00 . A A . 24 LEU H 1 1 1 342 1 1 24 LEU HA H -2.001 0.429 -0.937 1.00 . A A . 24 LEU HA 1 1 1 343 1 1 24 LEU HB2 H -4.104 -0.373 0.383 1.00 . A A . 24 LEU HB2 1 1 1 344 1 1 24 LEU HB3 H -3.647 -1.993 -0.178 1.00 . A A . 24 LEU HB3 1 1 1 345 1 1 24 LEU HD11 H -3.311 0.468 2.174 1.00 . A A . 24 LEU HD11 1 1 1 346 1 1 24 LEU HD12 H -1.814 -0.023 2.985 1.00 . A A . 24 LEU HD12 1 1 1 347 1 1 24 LEU HD13 H -1.740 0.981 1.526 1.00 . A A . 24 LEU HD13 1 1 1 348 1 1 24 LEU HD21 H -3.482 -2.257 2.439 1.00 . A A . 24 LEU HD21 1 1 1 349 1 1 24 LEU HD22 H -2.378 -3.211 1.422 1.00 . A A . 24 LEU HD22 1 1 1 350 1 1 24 LEU HD23 H -1.752 -2.343 2.843 1.00 . A A . 24 LEU HD23 1 1 1 351 1 1 24 LEU HG H -1.213 -1.153 0.717 1.00 . A A . 24 LEU HG 1 1 1 352 1 1 24 LEU N N -3.726 0.128 -2.059 1.00 . A A . 24 LEU N 1 1 1 353 1 1 24 LEU O O -0.661 -1.553 -1.818 1.00 . A A . 24 LEU O 1 1 1 354 1 1 25 ALA C C -0.875 -2.701 -4.531 1.00 . A A . 25 ALA C 1 1 1 355 1 1 25 ALA CA C -1.939 -3.280 -3.605 1.00 . A A . 25 ALA CA 1 1 1 356 1 1 25 ALA CB C -3.014 -4.012 -4.411 1.00 . A A . 25 ALA CB 1 1 1 357 1 1 25 ALA H H -3.557 -2.086 -2.927 1.00 . A A . 25 ALA H 1 1 1 358 1 1 25 ALA HA H -1.467 -3.990 -2.925 1.00 . A A . 25 ALA HA 1 1 1 359 1 1 25 ALA HB1 H -3.768 -4.411 -3.731 1.00 . A A . 25 ALA HB1 1 1 1 360 1 1 25 ALA HB2 H -3.486 -3.318 -5.107 1.00 . A A . 25 ALA HB2 1 1 1 361 1 1 25 ALA HB3 H -2.558 -4.830 -4.967 1.00 . A A . 25 ALA HB3 1 1 1 362 1 1 25 ALA N N -2.561 -2.224 -2.827 1.00 . A A . 25 ALA N 1 1 1 363 1 1 25 ALA O O 0.286 -3.084 -4.446 1.00 . A A . 25 ALA O 1 1 1 364 1 1 26 VAL C C 0.781 -0.436 -5.609 1.00 . A A . 26 VAL C 1 1 1 365 1 1 26 VAL CA C -0.334 -1.167 -6.363 1.00 . A A . 26 VAL CA 1 1 1 366 1 1 26 VAL CB C -1.082 -0.205 -7.306 1.00 . A A . 26 VAL CB 1 1 1 367 1 1 26 VAL CG1 C -2.127 -0.982 -8.112 1.00 . A A . 26 VAL CG1 1 1 1 368 1 1 26 VAL CG2 C -1.780 0.905 -6.507 1.00 . A A . 26 VAL CG2 1 1 1 369 1 1 26 VAL H H -2.240 -1.491 -5.445 1.00 . A A . 26 VAL H 1 1 1 370 1 1 26 VAL HA H 0.117 -1.958 -6.964 1.00 . A A . 26 VAL HA 1 1 1 371 1 1 26 VAL HB H -0.367 0.248 -7.994 1.00 . A A . 26 VAL HB 1 1 1 372 1 1 26 VAL HG11 H -1.642 -1.808 -8.633 1.00 . A A . 26 VAL HG11 1 1 1 373 1 1 26 VAL HG12 H -2.892 -1.374 -7.442 1.00 . A A . 26 VAL HG12 1 1 1 374 1 1 26 VAL HG13 H -2.591 -0.319 -8.841 1.00 . A A . 26 VAL HG13 1 1 1 375 1 1 26 VAL HG21 H -2.462 0.462 -5.787 1.00 . A A . 26 VAL HG21 1 1 1 376 1 1 26 VAL HG22 H -1.038 1.509 -5.982 1.00 . A A . 26 VAL HG22 1 1 1 377 1 1 26 VAL HG23 H -2.341 1.544 -7.188 1.00 . A A . 26 VAL HG23 1 1 1 378 1 1 26 VAL N N -1.269 -1.777 -5.418 1.00 . A A . 26 VAL N 1 1 1 379 1 1 26 VAL O O 1.934 -0.439 -6.042 1.00 . A A . 26 VAL O 1 1 1 380 1 1 27 HIS C C 2.435 0.018 -3.099 1.00 . A A . 27 HIS C 1 1 1 381 1 1 27 HIS CA C 1.367 0.946 -3.678 1.00 . A A . 27 HIS CA 1 1 1 382 1 1 27 HIS CB C 0.573 1.630 -2.571 1.00 . A A . 27 HIS CB 1 1 1 383 1 1 27 HIS CD2 C 1.758 2.348 -0.375 1.00 . A A . 27 HIS CD2 1 1 1 384 1 1 27 HIS CE1 C 2.630 4.180 -1.016 1.00 . A A . 27 HIS CE1 1 1 1 385 1 1 27 HIS CG C 1.406 2.487 -1.679 1.00 . A A . 27 HIS CG 1 1 1 386 1 1 27 HIS H H -0.535 0.153 -4.174 1.00 . A A . 27 HIS H 1 1 1 387 1 1 27 HIS HA H 1.846 1.704 -4.298 1.00 . A A . 27 HIS HA 1 1 1 388 1 1 27 HIS HB2 H -0.197 2.250 -3.025 1.00 . A A . 27 HIS HB2 1 1 1 389 1 1 27 HIS HB3 H 0.095 0.861 -1.959 1.00 . A A . 27 HIS HB3 1 1 1 390 1 1 27 HIS HD1 H 1.920 4.101 -3.002 1.00 . A A . 27 HIS HD1 1 1 1 391 1 1 27 HIS HD2 H 1.460 1.513 0.231 1.00 . A A . 27 HIS HD2 1 1 1 392 1 1 27 HIS HE1 H 3.176 5.111 -1.034 1.00 . A A . 27 HIS HE1 1 1 1 393 1 1 27 HIS N N 0.429 0.193 -4.485 1.00 . A A . 27 HIS N 1 1 1 394 1 1 27 HIS ND1 N 1.980 3.684 -2.086 1.00 . A A . 27 HIS ND1 1 1 1 395 1 1 27 HIS NE2 N 2.531 3.408 0.071 1.00 . A A . 27 HIS NE2 1 1 1 396 1 1 27 HIS O O 3.625 0.318 -3.169 1.00 . A A . 27 HIS O 1 1 1 397 1 1 28 LYS C C 3.712 -2.788 -3.010 1.00 . A A . 28 LYS C 1 1 1 398 1 1 28 LYS CA C 2.917 -2.068 -1.929 1.00 . A A . 28 LYS CA 1 1 1 399 1 1 28 LYS CB C 2.113 -3.080 -1.112 1.00 . A A . 28 LYS CB 1 1 1 400 1 1 28 LYS CD C 2.165 -3.178 1.391 1.00 . A A . 28 LYS CD 1 1 1 401 1 1 28 LYS CE C 3.684 -2.967 1.508 1.00 . A A . 28 LYS CE 1 1 1 402 1 1 28 LYS CG C 1.614 -2.425 0.180 1.00 . A A . 28 LYS CG 1 1 1 403 1 1 28 LYS H H 1.017 -1.306 -2.498 1.00 . A A . 28 LYS H 1 1 1 404 1 1 28 LYS HA H 3.610 -1.543 -1.269 1.00 . A A . 28 LYS HA 1 1 1 405 1 1 28 LYS HB2 H 1.259 -3.422 -1.697 1.00 . A A . 28 LYS HB2 1 1 1 406 1 1 28 LYS HB3 H 2.745 -3.935 -0.870 1.00 . A A . 28 LYS HB3 1 1 1 407 1 1 28 LYS HD2 H 1.679 -2.807 2.292 1.00 . A A . 28 LYS HD2 1 1 1 408 1 1 28 LYS HD3 H 1.951 -4.241 1.278 1.00 . A A . 28 LYS HD3 1 1 1 409 1 1 28 LYS HE2 H 4.124 -2.930 0.513 1.00 . A A . 28 LYS HE2 1 1 1 410 1 1 28 LYS HE3 H 3.876 -2.025 2.017 1.00 . A A . 28 LYS HE3 1 1 1 411 1 1 28 LYS HG2 H 1.938 -1.387 0.218 1.00 . A A . 28 LYS HG2 1 1 1 412 1 1 28 LYS HG3 H 0.526 -2.465 0.204 1.00 . A A . 28 LYS HG3 1 1 1 413 1 1 28 LYS HZ1 H 3.818 -4.203 3.137 1.00 . A A . 28 LYS HZ1 1 1 1 414 1 1 28 LYS HZ2 H 4.282 -4.918 1.713 1.00 . A A . 28 LYS HZ2 1 1 1 415 1 1 28 LYS HZ3 H 5.276 -3.827 2.462 1.00 . A A . 28 LYS HZ3 1 1 1 416 1 1 28 LYS N N 2.008 -1.105 -2.525 1.00 . A A . 28 LYS N 1 1 1 417 1 1 28 LYS NZ N 4.314 -4.063 2.266 1.00 . A A . 28 LYS NZ 1 1 1 418 1 1 28 LYS O O 4.893 -3.061 -2.830 1.00 . A A . 28 LYS O 1 1 1 419 1 1 29 HIS C C 4.973 -3.141 -5.660 1.00 . A A . 29 HIS C 1 1 1 420 1 1 29 HIS CA C 3.676 -3.821 -5.223 1.00 . A A . 29 HIS CA 1 1 1 421 1 1 29 HIS CB C 2.690 -3.913 -6.389 1.00 . A A . 29 HIS CB 1 1 1 422 1 1 29 HIS CD2 C 3.435 -4.340 -8.874 1.00 . A A . 29 HIS CD2 1 1 1 423 1 1 29 HIS CE1 C 4.117 -6.351 -8.685 1.00 . A A . 29 HIS CE1 1 1 1 424 1 1 29 HIS CG C 3.245 -4.677 -7.560 1.00 . A A . 29 HIS CG 1 1 1 425 1 1 29 HIS H H 2.084 -2.837 -4.224 1.00 . A A . 29 HIS H 1 1 1 426 1 1 29 HIS HA H 3.910 -4.832 -4.884 1.00 . A A . 29 HIS HA 1 1 1 427 1 1 29 HIS HB2 H 1.784 -4.411 -6.046 1.00 . A A . 29 HIS HB2 1 1 1 428 1 1 29 HIS HB3 H 2.435 -2.905 -6.717 1.00 . A A . 29 HIS HB3 1 1 1 429 1 1 29 HIS HD1 H 3.701 -6.559 -6.625 1.00 . A A . 29 HIS HD1 1 1 1 430 1 1 29 HIS HD2 H 3.186 -3.377 -9.295 1.00 . A A . 29 HIS HD2 1 1 1 431 1 1 29 HIS HE1 H 4.522 -7.327 -8.907 1.00 . A A . 29 HIS HE1 1 1 1 432 1 1 29 HIS N N 3.055 -3.100 -4.128 1.00 . A A . 29 HIS N 1 1 1 433 1 1 29 HIS ND1 N 3.694 -5.988 -7.457 1.00 . A A . 29 HIS ND1 1 1 1 434 1 1 29 HIS NE2 N 3.989 -5.387 -9.598 1.00 . A A . 29 HIS NE2 1 1 1 435 1 1 29 HIS O O 5.986 -3.810 -5.824 1.00 . A A . 29 HIS O 1 1 1 436 1 1 30 LYS C C 7.193 -1.020 -5.199 1.00 . A A . 30 LYS C 1 1 1 437 1 1 30 LYS CA C 6.135 -1.096 -6.307 1.00 . A A . 30 LYS CA 1 1 1 438 1 1 30 LYS CB C 5.755 0.302 -6.818 1.00 . A A . 30 LYS CB 1 1 1 439 1 1 30 LYS CD C 4.783 2.546 -6.227 1.00 . A A . 30 LYS CD 1 1 1 440 1 1 30 LYS CE C 3.686 2.547 -7.299 1.00 . A A . 30 LYS CE 1 1 1 441 1 1 30 LYS CG C 5.037 1.116 -5.732 1.00 . A A . 30 LYS CG 1 1 1 442 1 1 30 LYS H H 4.093 -1.297 -5.695 1.00 . A A . 30 LYS H 1 1 1 443 1 1 30 LYS HA H 6.566 -1.651 -7.142 1.00 . A A . 30 LYS HA 1 1 1 444 1 1 30 LYS HB2 H 6.661 0.826 -7.118 1.00 . A A . 30 LYS HB2 1 1 1 445 1 1 30 LYS HB3 H 5.100 0.195 -7.680 1.00 . A A . 30 LYS HB3 1 1 1 446 1 1 30 LYS HD2 H 4.467 3.165 -5.387 1.00 . A A . 30 LYS HD2 1 1 1 447 1 1 30 LYS HD3 H 5.704 2.954 -6.648 1.00 . A A . 30 LYS HD3 1 1 1 448 1 1 30 LYS HE2 H 4.041 2.015 -8.180 1.00 . A A . 30 LYS HE2 1 1 1 449 1 1 30 LYS HE3 H 2.801 2.043 -6.908 1.00 . A A . 30 LYS HE3 1 1 1 450 1 1 30 LYS HG2 H 4.088 0.646 -5.494 1.00 . A A . 30 LYS HG2 1 1 1 451 1 1 30 LYS HG3 H 5.655 1.155 -4.837 1.00 . A A . 30 LYS HG3 1 1 1 452 1 1 30 LYS HZ1 H 4.138 4.397 -8.051 1.00 . A A . 30 LYS HZ1 1 1 1 453 1 1 30 LYS HZ2 H 2.604 3.897 -8.394 1.00 . A A . 30 LYS HZ2 1 1 1 454 1 1 30 LYS HZ3 H 2.980 4.422 -6.876 1.00 . A A . 30 LYS HZ3 1 1 1 455 1 1 30 LYS N N 4.947 -1.816 -5.855 1.00 . A A . 30 LYS N 1 1 1 456 1 1 30 LYS NZ N 3.324 3.924 -7.685 1.00 . A A . 30 LYS NZ 1 1 1 457 1 1 30 LYS O O 8.385 -1.062 -5.490 1.00 . A A . 30 LYS O 1 1 1 458 1 1 31 HIS C C 8.467 -2.151 -2.709 1.00 . A A . 31 HIS C 1 1 1 459 1 1 31 HIS CA C 7.699 -0.843 -2.814 1.00 . A A . 31 HIS CA 1 1 1 460 1 1 31 HIS CB C 6.933 -0.591 -1.512 1.00 . A A . 31 HIS CB 1 1 1 461 1 1 31 HIS CD2 C 5.206 1.303 -0.944 1.00 . A A . 31 HIS CD2 1 1 1 462 1 1 31 HIS CE1 C 6.354 2.996 -1.544 1.00 . A A . 31 HIS CE1 1 1 1 463 1 1 31 HIS CG C 6.397 0.806 -1.403 1.00 . A A . 31 HIS CG 1 1 1 464 1 1 31 HIS H H 5.773 -0.879 -3.737 1.00 . A A . 31 HIS H 1 1 1 465 1 1 31 HIS HA H 8.404 -0.029 -2.983 1.00 . A A . 31 HIS HA 1 1 1 466 1 1 31 HIS HB2 H 6.102 -1.292 -1.449 1.00 . A A . 31 HIS HB2 1 1 1 467 1 1 31 HIS HB3 H 7.605 -0.770 -0.672 1.00 . A A . 31 HIS HB3 1 1 1 468 1 1 31 HIS HD1 H 8.062 1.931 -2.174 1.00 . A A . 31 HIS HD1 1 1 1 469 1 1 31 HIS HD2 H 4.396 0.688 -0.563 1.00 . A A . 31 HIS HD2 1 1 1 470 1 1 31 HIS HE1 H 6.665 4.010 -1.746 1.00 . A A . 31 HIS HE1 1 1 1 471 1 1 31 HIS N N 6.764 -0.912 -3.933 1.00 . A A . 31 HIS N 1 1 1 472 1 1 31 HIS ND1 N 7.129 1.924 -1.787 1.00 . A A . 31 HIS ND1 1 1 1 473 1 1 31 HIS NE2 N 5.167 2.685 -1.026 1.00 . A A . 31 HIS NE2 1 1 1 474 1 1 31 HIS O O 9.695 -2.155 -2.632 1.00 . A A . 31 HIS O 1 1 1 475 1 1 32 GLU C C 9.120 -4.920 -3.815 1.00 . A A . 32 GLU C 1 1 1 476 1 1 32 GLU CA C 8.311 -4.581 -2.565 1.00 . A A . 32 GLU CA 1 1 1 477 1 1 32 GLU CB C 7.187 -5.594 -2.327 1.00 . A A . 32 GLU CB 1 1 1 478 1 1 32 GLU CD C 5.284 -6.149 -0.745 1.00 . A A . 32 GLU CD 1 1 1 479 1 1 32 GLU CG C 6.565 -5.346 -0.942 1.00 . A A . 32 GLU CG 1 1 1 480 1 1 32 GLU H H 6.723 -3.180 -2.777 1.00 . A A . 32 GLU H 1 1 1 481 1 1 32 GLU HA H 8.979 -4.588 -1.702 1.00 . A A . 32 GLU HA 1 1 1 482 1 1 32 GLU HB2 H 6.422 -5.478 -3.098 1.00 . A A . 32 GLU HB2 1 1 1 483 1 1 32 GLU HB3 H 7.594 -6.606 -2.367 1.00 . A A . 32 GLU HB3 1 1 1 484 1 1 32 GLU HG2 H 7.285 -5.631 -0.174 1.00 . A A . 32 GLU HG2 1 1 1 485 1 1 32 GLU HG3 H 6.336 -4.286 -0.836 1.00 . A A . 32 GLU HG3 1 1 1 486 1 1 32 GLU N N 7.730 -3.257 -2.696 1.00 . A A . 32 GLU N 1 1 1 487 1 1 32 GLU O O 10.290 -5.289 -3.714 1.00 . A A . 32 GLU O 1 1 1 488 1 1 32 GLU OE1 O 5.036 -7.048 -1.576 1.00 . A A . 32 GLU OE1 1 1 1 489 1 1 32 GLU OE2 O 4.574 -5.843 0.242 1.00 . A A . 32 GLU OE2 1 1 1 490 1 1 33 MET C C 9.949 -3.831 -6.701 1.00 . A A . 33 MET C 1 1 1 491 1 1 33 MET CA C 9.180 -5.070 -6.251 1.00 . A A . 33 MET CA 1 1 1 492 1 1 33 MET CB C 8.161 -5.498 -7.316 1.00 . A A . 33 MET CB 1 1 1 493 1 1 33 MET CE C 6.891 -9.120 -5.640 1.00 . A A . 33 MET CE 1 1 1 494 1 1 33 MET CG C 7.304 -6.653 -6.794 1.00 . A A . 33 MET CG 1 1 1 495 1 1 33 MET H H 7.541 -4.480 -5.027 1.00 . A A . 33 MET H 1 1 1 496 1 1 33 MET HA H 9.890 -5.883 -6.098 1.00 . A A . 33 MET HA 1 1 1 497 1 1 33 MET HB2 H 7.518 -4.655 -7.565 1.00 . A A . 33 MET HB2 1 1 1 498 1 1 33 MET HB3 H 8.693 -5.820 -8.212 1.00 . A A . 33 MET HB3 1 1 1 499 1 1 33 MET HE1 H 6.180 -9.309 -6.444 1.00 . A A . 33 MET HE1 1 1 1 500 1 1 33 MET HE2 H 7.285 -10.067 -5.272 1.00 . A A . 33 MET HE2 1 1 1 501 1 1 33 MET HE3 H 6.388 -8.595 -4.827 1.00 . A A . 33 MET HE3 1 1 1 502 1 1 33 MET HG2 H 6.716 -6.297 -5.951 1.00 . A A . 33 MET HG2 1 1 1 503 1 1 33 MET HG3 H 6.624 -6.959 -7.586 1.00 . A A . 33 MET HG3 1 1 1 504 1 1 33 MET N N 8.504 -4.787 -4.994 1.00 . A A . 33 MET N 1 1 1 505 1 1 33 MET O O 9.675 -3.275 -7.764 1.00 . A A . 33 MET O 1 1 1 506 1 1 33 MET SD S 8.252 -8.103 -6.263 1.00 . A A . 33 MET SD 1 1 1 507 1 1 34 THR C C 12.551 -2.519 -7.491 1.00 . A A . 34 THR C 1 1 1 508 1 1 34 THR CA C 11.751 -2.253 -6.206 1.00 . A A . 34 THR CA 1 1 1 509 1 1 34 THR CB C 12.679 -1.953 -5.018 1.00 . A A . 34 THR CB 1 1 1 510 1 1 34 THR CG2 C 13.694 -3.088 -4.828 1.00 . A A . 34 THR CG2 1 1 1 511 1 1 34 THR H H 11.096 -3.901 -5.021 1.00 . A A . 34 THR H 1 1 1 512 1 1 34 THR HA H 11.103 -1.392 -6.370 1.00 . A A . 34 THR HA 1 1 1 513 1 1 34 THR HB H 12.080 -1.853 -4.112 1.00 . A A . 34 THR HB 1 1 1 514 1 1 34 THR HG1 H 13.918 -0.554 -4.486 1.00 . A A . 34 THR HG1 1 1 1 515 1 1 34 THR HG21 H 13.169 -4.036 -4.718 1.00 . A A . 34 THR HG21 1 1 1 516 1 1 34 THR HG22 H 14.356 -3.136 -5.693 1.00 . A A . 34 THR HG22 1 1 1 517 1 1 34 THR HG23 H 14.285 -2.897 -3.932 1.00 . A A . 34 THR HG23 1 1 1 518 1 1 34 THR N N 10.921 -3.408 -5.888 1.00 . A A . 34 THR N 1 1 1 519 1 1 34 THR O O 13.058 -1.587 -8.111 1.00 . A A . 34 THR O 1 1 1 520 1 1 34 THR OG1 O 13.368 -0.744 -5.250 1.00 . A A . 34 THR OG1 1 1 1 521 1 1 35 LEU C C 12.606 -3.770 -10.351 1.00 . A A . 35 LEU C 1 1 1 522 1 1 35 LEU CA C 13.377 -4.188 -9.091 1.00 . A A . 35 LEU CA 1 1 1 523 1 1 35 LEU CB C 13.607 -5.707 -9.071 1.00 . A A . 35 LEU CB 1 1 1 524 1 1 35 LEU CD1 C 12.058 -7.121 -10.459 1.00 . A A . 35 LEU CD1 1 1 1 525 1 1 35 LEU CD2 C 12.259 -7.536 -8.003 1.00 . A A . 35 LEU CD2 1 1 1 526 1 1 35 LEU CG C 12.262 -6.459 -9.092 1.00 . A A . 35 LEU CG 1 1 1 527 1 1 35 LEU H H 12.218 -4.526 -7.339 1.00 . A A . 35 LEU H 1 1 1 528 1 1 35 LEU HA H 14.347 -3.690 -9.095 1.00 . A A . 35 LEU HA 1 1 1 529 1 1 35 LEU HB2 H 14.197 -5.993 -9.943 1.00 . A A . 35 LEU HB2 1 1 1 530 1 1 35 LEU HB3 H 14.156 -5.972 -8.167 1.00 . A A . 35 LEU HB3 1 1 1 531 1 1 35 LEU HD11 H 12.061 -6.359 -11.238 1.00 . A A . 35 LEU HD11 1 1 1 532 1 1 35 LEU HD12 H 12.863 -7.832 -10.643 1.00 . A A . 35 LEU HD12 1 1 1 533 1 1 35 LEU HD13 H 11.102 -7.644 -10.470 1.00 . A A . 35 LEU HD13 1 1 1 534 1 1 35 LEU HD21 H 13.084 -8.227 -8.173 1.00 . A A . 35 LEU HD21 1 1 1 535 1 1 35 LEU HD22 H 12.375 -7.065 -7.026 1.00 . A A . 35 LEU HD22 1 1 1 536 1 1 35 LEU HD23 H 11.316 -8.081 -8.033 1.00 . A A . 35 LEU HD23 1 1 1 537 1 1 35 LEU HG H 11.445 -5.762 -8.906 1.00 . A A . 35 LEU HG 1 1 1 538 1 1 35 LEU N N 12.655 -3.799 -7.888 1.00 . A A . 35 LEU N 1 1 1 539 1 1 35 LEU O O 13.153 -3.826 -11.451 1.00 . A A . 35 LEU O 1 1 1 540 1 1 36 LYS C C 11.206 -1.778 -12.053 1.00 . A A . 36 LYS C 1 1 1 541 1 1 36 LYS CA C 10.519 -2.933 -11.319 1.00 . A A . 36 LYS CA 1 1 1 542 1 1 36 LYS CB C 9.136 -2.520 -10.803 1.00 . A A . 36 LYS CB 1 1 1 543 1 1 36 LYS CD C 6.822 -1.799 -11.486 1.00 . A A . 36 LYS CD 1 1 1 544 1 1 36 LYS CE C 6.155 -2.763 -10.494 1.00 . A A . 36 LYS CE 1 1 1 545 1 1 36 LYS CG C 8.167 -2.355 -11.980 1.00 . A A . 36 LYS CG 1 1 1 546 1 1 36 LYS H H 10.930 -3.326 -9.269 1.00 . A A . 36 LYS H 1 1 1 547 1 1 36 LYS HA H 10.405 -3.774 -12.005 1.00 . A A . 36 LYS HA 1 1 1 548 1 1 36 LYS HB2 H 8.761 -3.293 -10.134 1.00 . A A . 36 LYS HB2 1 1 1 549 1 1 36 LYS HB3 H 9.216 -1.577 -10.260 1.00 . A A . 36 LYS HB3 1 1 1 550 1 1 36 LYS HD2 H 6.988 -0.839 -10.994 1.00 . A A . 36 LYS HD2 1 1 1 551 1 1 36 LYS HD3 H 6.160 -1.651 -12.341 1.00 . A A . 36 LYS HD3 1 1 1 552 1 1 36 LYS HE2 H 6.741 -2.801 -9.575 1.00 . A A . 36 LYS HE2 1 1 1 553 1 1 36 LYS HE3 H 5.158 -2.390 -10.259 1.00 . A A . 36 LYS HE3 1 1 1 554 1 1 36 LYS HG2 H 8.592 -1.659 -12.701 1.00 . A A . 36 LYS HG2 1 1 1 555 1 1 36 LYS HG3 H 8.011 -3.318 -12.463 1.00 . A A . 36 LYS HG3 1 1 1 556 1 1 36 LYS HZ1 H 5.617 -4.077 -11.968 1.00 . A A . 36 LYS HZ1 1 1 1 557 1 1 36 LYS HZ2 H 6.955 -4.539 -11.123 1.00 . A A . 36 LYS HZ2 1 1 1 558 1 1 36 LYS HZ3 H 5.457 -4.690 -10.442 1.00 . A A . 36 LYS HZ3 1 1 1 559 1 1 36 LYS N N 11.339 -3.354 -10.194 1.00 . A A . 36 LYS N 1 1 1 560 1 1 36 LYS NZ N 6.039 -4.123 -11.052 1.00 . A A . 36 LYS NZ 1 1 1 561 1 1 36 LYS O O 11.780 -0.894 -11.420 1.00 . A A . 36 LYS O 1 1 1 562 1 1 37 PHE C C 13.291 -0.802 -14.009 1.00 . A A . 37 PHE C 1 1 1 563 1 1 37 PHE CA C 11.777 -0.786 -14.233 1.00 . A A . 37 PHE CA 1 1 1 564 1 1 37 PHE CB C 11.188 0.603 -13.937 1.00 . A A . 37 PHE CB 1 1 1 565 1 1 37 PHE CD1 C 8.964 0.169 -15.075 1.00 . A A . 37 PHE CD1 1 1 1 566 1 1 37 PHE CD2 C 8.967 1.160 -12.850 1.00 . A A . 37 PHE CD2 1 1 1 567 1 1 37 PHE CE1 C 7.560 0.211 -15.091 1.00 . A A . 37 PHE CE1 1 1 1 568 1 1 37 PHE CE2 C 7.562 1.203 -12.868 1.00 . A A . 37 PHE CE2 1 1 1 569 1 1 37 PHE CG C 9.671 0.642 -13.954 1.00 . A A . 37 PHE CG 1 1 1 570 1 1 37 PHE CZ C 6.858 0.727 -13.988 1.00 . A A . 37 PHE CZ 1 1 1 571 1 1 37 PHE H H 10.650 -2.550 -13.852 1.00 . A A . 37 PHE H 1 1 1 572 1 1 37 PHE HA H 11.581 -1.031 -15.277 1.00 . A A . 37 PHE HA 1 1 1 573 1 1 37 PHE HB2 H 11.536 0.933 -12.958 1.00 . A A . 37 PHE HB2 1 1 1 574 1 1 37 PHE HB3 H 11.559 1.303 -14.687 1.00 . A A . 37 PHE HB3 1 1 1 575 1 1 37 PHE HD1 H 9.501 -0.225 -15.925 1.00 . A A . 37 PHE HD1 1 1 1 576 1 1 37 PHE HD2 H 9.507 1.527 -11.989 1.00 . A A . 37 PHE HD2 1 1 1 577 1 1 37 PHE HE1 H 7.019 -0.154 -15.952 1.00 . A A . 37 PHE HE1 1 1 1 578 1 1 37 PHE HE2 H 7.024 1.602 -12.022 1.00 . A A . 37 PHE HE2 1 1 1 579 1 1 37 PHE HZ H 5.779 0.761 -14.001 1.00 . A A . 37 PHE HZ 1 1 1 580 1 1 37 PHE N N 11.146 -1.801 -13.393 1.00 . A A . 37 PHE N 1 1 1 581 1 1 37 PHE O O 13.903 0.244 -13.796 1.00 . A A . 37 PHE O 1 1 1 582 1 1 38 GLY C C 15.708 -3.616 -14.129 1.00 . A A . 38 GLY C 1 1 1 583 1 1 38 GLY CA C 15.317 -2.163 -13.871 1.00 . A A . 38 GLY CA 1 1 1 584 1 1 38 GLY H H 13.337 -2.826 -14.241 1.00 . A A . 38 GLY H 1 1 1 585 1 1 38 GLY HA2 H 15.853 -1.515 -14.566 1.00 . A A . 38 GLY HA2 1 1 1 586 1 1 38 GLY HA3 H 15.579 -1.892 -12.848 1.00 . A A . 38 GLY HA3 1 1 1 587 1 1 38 GLY N N 13.888 -1.997 -14.062 1.00 . A A . 38 GLY N 1 1 1 588 1 1 38 GLY O O 16.904 -3.922 -13.932 1.00 . A A . 38 GLY O 1 1 1 589 1 1 38 GLY OXT O 14.845 -4.347 -14.671 1.00 . A A . 38 GLY OXT 1 1 2 590 1 1 1 MET C C -13.602 1.136 9.310 1.00 . A A . 1 MET C 1 1 2 591 1 1 1 MET CA C -13.921 0.046 10.329 1.00 . A A . 1 MET CA 1 1 2 592 1 1 1 MET CB C -13.291 0.389 11.691 1.00 . A A . 1 MET CB 1 1 2 593 1 1 1 MET CE C -12.267 -2.237 13.454 1.00 . A A . 1 MET CE 1 1 2 594 1 1 1 MET CG C -14.095 -0.252 12.832 1.00 . A A . 1 MET CG 1 1 2 595 1 1 1 MET H1 H -13.699 -1.372 8.865 1.00 . A A . 1 MET H1 1 1 2 596 1 1 1 MET H2 H -12.427 -1.287 9.912 1.00 . A A . 1 MET H2 1 1 2 597 1 1 1 MET H3 H -13.834 -1.999 10.386 1.00 . A A . 1 MET H3 1 1 2 598 1 1 1 MET HA H -15.003 -0.012 10.447 1.00 . A A . 1 MET HA 1 1 2 599 1 1 1 MET HB2 H -12.264 0.028 11.718 1.00 . A A . 1 MET HB2 1 1 2 600 1 1 1 MET HB3 H -13.292 1.471 11.823 1.00 . A A . 1 MET HB3 1 1 2 601 1 1 1 MET HE1 H -12.114 -1.672 14.373 1.00 . A A . 1 MET HE1 1 1 2 602 1 1 1 MET HE2 H -12.050 -3.289 13.635 1.00 . A A . 1 MET HE2 1 1 2 603 1 1 1 MET HE3 H -11.601 -1.859 12.680 1.00 . A A . 1 MET HE3 1 1 2 604 1 1 1 MET HG2 H -13.737 0.156 13.778 1.00 . A A . 1 MET HG2 1 1 2 605 1 1 1 MET HG3 H -15.143 0.024 12.714 1.00 . A A . 1 MET HG3 1 1 2 606 1 1 1 MET N N -13.432 -1.256 9.838 1.00 . A A . 1 MET N 1 1 2 607 1 1 1 MET O O -12.791 0.922 8.409 1.00 . A A . 1 MET O 1 1 2 608 1 1 1 MET SD S -13.987 -2.061 12.916 1.00 . A A . 1 MET SD 1 1 2 609 1 1 2 SER C C -14.339 2.983 7.116 1.00 . A A . 2 SER C 1 1 2 610 1 1 2 SER CA C -14.052 3.430 8.555 1.00 . A A . 2 SER CA 1 1 2 611 1 1 2 SER CB C -12.626 3.978 8.715 1.00 . A A . 2 SER CB 1 1 2 612 1 1 2 SER H H -14.898 2.417 10.223 1.00 . A A . 2 SER H 1 1 2 613 1 1 2 SER HA H -14.759 4.217 8.820 1.00 . A A . 2 SER HA 1 1 2 614 1 1 2 SER HB2 H -11.904 3.240 8.365 1.00 . A A . 2 SER HB2 1 1 2 615 1 1 2 SER HB3 H -12.520 4.895 8.133 1.00 . A A . 2 SER HB3 1 1 2 616 1 1 2 SER HG H -13.010 4.921 10.372 1.00 . A A . 2 SER HG 1 1 2 617 1 1 2 SER N N -14.247 2.304 9.459 1.00 . A A . 2 SER N 1 1 2 618 1 1 2 SER O O -15.404 2.426 6.849 1.00 . A A . 2 SER O 1 1 2 619 1 1 2 SER OG O -12.379 4.259 10.077 1.00 . A A . 2 SER OG 1 1 2 620 1 1 3 ASP C C -13.338 1.311 4.693 1.00 . A A . 3 ASP C 1 1 2 621 1 1 3 ASP CA C -13.555 2.819 4.806 1.00 . A A . 3 ASP CA 1 1 2 622 1 1 3 ASP CB C -12.553 3.583 3.932 1.00 . A A . 3 ASP CB 1 1 2 623 1 1 3 ASP CG C -12.624 5.082 4.193 1.00 . A A . 3 ASP CG 1 1 2 624 1 1 3 ASP H H -12.542 3.684 6.459 1.00 . A A . 3 ASP H 1 1 2 625 1 1 3 ASP HA H -14.568 3.060 4.477 1.00 . A A . 3 ASP HA 1 1 2 626 1 1 3 ASP HB2 H -11.545 3.229 4.147 1.00 . A A . 3 ASP HB2 1 1 2 627 1 1 3 ASP HB3 H -12.781 3.393 2.883 1.00 . A A . 3 ASP HB3 1 1 2 628 1 1 3 ASP N N -13.395 3.219 6.194 1.00 . A A . 3 ASP N 1 1 2 629 1 1 3 ASP O O -12.277 0.874 4.255 1.00 . A A . 3 ASP O 1 1 2 630 1 1 3 ASP OD1 O -13.665 5.673 3.846 1.00 . A A . 3 ASP OD1 1 1 2 631 1 1 3 ASP OD2 O -11.628 5.607 4.743 1.00 . A A . 3 ASP OD2 1 1 2 632 1 1 4 ASP C C -13.249 -1.436 6.078 1.00 . A A . 4 ASP C 1 1 2 633 1 1 4 ASP CA C -14.308 -0.934 5.089 1.00 . A A . 4 ASP CA 1 1 2 634 1 1 4 ASP CB C -14.055 -1.456 3.664 1.00 . A A . 4 ASP CB 1 1 2 635 1 1 4 ASP CG C -13.912 -2.972 3.659 1.00 . A A . 4 ASP CG 1 1 2 636 1 1 4 ASP H H -15.197 0.970 5.449 1.00 . A A . 4 ASP H 1 1 2 637 1 1 4 ASP HA H -15.280 -1.305 5.418 1.00 . A A . 4 ASP HA 1 1 2 638 1 1 4 ASP HB2 H -14.894 -1.176 3.026 1.00 . A A . 4 ASP HB2 1 1 2 639 1 1 4 ASP HB3 H -13.146 -1.016 3.265 1.00 . A A . 4 ASP HB3 1 1 2 640 1 1 4 ASP N N -14.353 0.530 5.103 1.00 . A A . 4 ASP N 1 1 2 641 1 1 4 ASP O O -13.590 -1.890 7.171 1.00 . A A . 4 ASP O 1 1 2 642 1 1 4 ASP OD1 O -14.812 -3.632 4.218 1.00 . A A . 4 ASP OD1 1 1 2 643 1 1 4 ASP OD2 O -12.899 -3.444 3.098 1.00 . A A . 4 ASP OD2 1 1 2 644 1 1 5 LYS C C -9.752 -0.724 6.467 1.00 . A A . 5 LYS C 1 1 2 645 1 1 5 LYS CA C -10.863 -1.777 6.540 1.00 . A A . 5 LYS CA 1 1 2 646 1 1 5 LYS CB C -10.339 -3.135 6.051 1.00 . A A . 5 LYS CB 1 1 2 647 1 1 5 LYS CD C -10.865 -5.600 5.880 1.00 . A A . 5 LYS CD 1 1 2 648 1 1 5 LYS CE C -10.161 -5.671 4.512 1.00 . A A . 5 LYS CE 1 1 2 649 1 1 5 LYS CG C -11.444 -4.198 6.140 1.00 . A A . 5 LYS CG 1 1 2 650 1 1 5 LYS H H -11.750 -0.966 4.784 1.00 . A A . 5 LYS H 1 1 2 651 1 1 5 LYS HA H -11.210 -1.873 7.566 1.00 . A A . 5 LYS HA 1 1 2 652 1 1 5 LYS HB2 H -10.014 -3.037 5.019 1.00 . A A . 5 LYS HB2 1 1 2 653 1 1 5 LYS HB3 H -9.494 -3.440 6.668 1.00 . A A . 5 LYS HB3 1 1 2 654 1 1 5 LYS HD2 H -10.145 -5.841 6.664 1.00 . A A . 5 LYS HD2 1 1 2 655 1 1 5 LYS HD3 H -11.675 -6.331 5.904 1.00 . A A . 5 LYS HD3 1 1 2 656 1 1 5 LYS HE2 H -9.327 -4.973 4.499 1.00 . A A . 5 LYS HE2 1 1 2 657 1 1 5 LYS HE3 H -9.772 -6.680 4.369 1.00 . A A . 5 LYS HE3 1 1 2 658 1 1 5 LYS HG2 H -11.884 -4.174 7.136 1.00 . A A . 5 LYS HG2 1 1 2 659 1 1 5 LYS HG3 H -12.215 -3.983 5.406 1.00 . A A . 5 LYS HG3 1 1 2 660 1 1 5 LYS HZ1 H -11.484 -4.434 3.534 1.00 . A A . 5 LYS HZ1 1 1 2 661 1 1 5 LYS HZ2 H -10.567 -5.369 2.519 1.00 . A A . 5 LYS HZ2 1 1 2 662 1 1 5 LYS HZ3 H -11.819 -6.040 3.365 1.00 . A A . 5 LYS HZ3 1 1 2 663 1 1 5 LYS N N -11.969 -1.350 5.696 1.00 . A A . 5 LYS N 1 1 2 664 1 1 5 LYS NZ N -11.080 -5.355 3.398 1.00 . A A . 5 LYS NZ 1 1 2 665 1 1 5 LYS O O -9.555 -0.120 5.418 1.00 . A A . 5 LYS O 1 1 2 666 1 1 6 PRO C C -6.783 -0.067 6.698 1.00 . A A . 6 PRO C 1 1 2 667 1 1 6 PRO CA C -7.917 0.452 7.581 1.00 . A A . 6 PRO CA 1 1 2 668 1 1 6 PRO CB C -7.483 0.560 9.043 1.00 . A A . 6 PRO CB 1 1 2 669 1 1 6 PRO CD C -9.224 -1.160 8.840 1.00 . A A . 6 PRO CD 1 1 2 670 1 1 6 PRO CG C -8.174 -0.585 9.793 1.00 . A A . 6 PRO CG 1 1 2 671 1 1 6 PRO HA H -8.258 1.423 7.222 1.00 . A A . 6 PRO HA 1 1 2 672 1 1 6 PRO HB2 H -6.400 0.464 9.124 1.00 . A A . 6 PRO HB2 1 1 2 673 1 1 6 PRO HB3 H -7.803 1.518 9.453 1.00 . A A . 6 PRO HB3 1 1 2 674 1 1 6 PRO HD2 H -9.085 -2.236 8.733 1.00 . A A . 6 PRO HD2 1 1 2 675 1 1 6 PRO HD3 H -10.223 -0.943 9.217 1.00 . A A . 6 PRO HD3 1 1 2 676 1 1 6 PRO HG2 H -7.446 -1.355 10.050 1.00 . A A . 6 PRO HG2 1 1 2 677 1 1 6 PRO HG3 H -8.654 -0.208 10.697 1.00 . A A . 6 PRO HG3 1 1 2 678 1 1 6 PRO N N -9.013 -0.495 7.570 1.00 . A A . 6 PRO N 1 1 2 679 1 1 6 PRO O O -6.083 -1.005 7.078 1.00 . A A . 6 PRO O 1 1 2 680 1 1 7 PHE C C -4.295 0.874 4.835 1.00 . A A . 7 PHE C 1 1 2 681 1 1 7 PHE CA C -5.583 0.102 4.582 1.00 . A A . 7 PHE CA 1 1 2 682 1 1 7 PHE CB C -6.099 0.307 3.154 1.00 . A A . 7 PHE CB 1 1 2 683 1 1 7 PHE CD1 C -7.554 -1.755 2.992 1.00 . A A . 7 PHE CD1 1 1 2 684 1 1 7 PHE CD2 C -8.579 0.420 2.637 1.00 . A A . 7 PHE CD2 1 1 2 685 1 1 7 PHE CE1 C -8.799 -2.371 2.786 1.00 . A A . 7 PHE CE1 1 1 2 686 1 1 7 PHE CE2 C -9.821 -0.198 2.431 1.00 . A A . 7 PHE CE2 1 1 2 687 1 1 7 PHE CG C -7.441 -0.357 2.915 1.00 . A A . 7 PHE CG 1 1 2 688 1 1 7 PHE CZ C -9.931 -1.593 2.504 1.00 . A A . 7 PHE CZ 1 1 2 689 1 1 7 PHE H H -7.191 1.314 5.249 1.00 . A A . 7 PHE H 1 1 2 690 1 1 7 PHE HA H -5.391 -0.961 4.732 1.00 . A A . 7 PHE HA 1 1 2 691 1 1 7 PHE HB2 H -6.196 1.375 2.964 1.00 . A A . 7 PHE HB2 1 1 2 692 1 1 7 PHE HB3 H -5.375 -0.108 2.455 1.00 . A A . 7 PHE HB3 1 1 2 693 1 1 7 PHE HD1 H -6.684 -2.355 3.210 1.00 . A A . 7 PHE HD1 1 1 2 694 1 1 7 PHE HD2 H -8.501 1.490 2.586 1.00 . A A . 7 PHE HD2 1 1 2 695 1 1 7 PHE HE1 H -8.883 -3.443 2.846 1.00 . A A . 7 PHE HE1 1 1 2 696 1 1 7 PHE HE2 H -10.694 0.401 2.224 1.00 . A A . 7 PHE HE2 1 1 2 697 1 1 7 PHE HZ H -10.888 -2.069 2.345 1.00 . A A . 7 PHE HZ 1 1 2 698 1 1 7 PHE N N -6.604 0.536 5.515 1.00 . A A . 7 PHE N 1 1 2 699 1 1 7 PHE O O -3.908 1.723 4.036 1.00 . A A . 7 PHE O 1 1 2 700 1 1 8 LEU C C -1.222 0.350 5.808 1.00 . A A . 8 LEU C 1 1 2 701 1 1 8 LEU CA C -2.376 1.203 6.327 1.00 . A A . 8 LEU CA 1 1 2 702 1 1 8 LEU CB C -2.317 1.347 7.855 1.00 . A A . 8 LEU CB 1 1 2 703 1 1 8 LEU CD1 C -0.870 3.407 7.750 1.00 . A A . 8 LEU CD1 1 1 2 704 1 1 8 LEU CD2 C -0.920 2.012 9.820 1.00 . A A . 8 LEU CD2 1 1 2 705 1 1 8 LEU CG C -0.983 1.978 8.293 1.00 . A A . 8 LEU CG 1 1 2 706 1 1 8 LEU H H -4.011 -0.137 6.579 1.00 . A A . 8 LEU H 1 1 2 707 1 1 8 LEU HA H -2.329 2.192 5.872 1.00 . A A . 8 LEU HA 1 1 2 708 1 1 8 LEU HB2 H -3.141 1.977 8.189 1.00 . A A . 8 LEU HB2 1 1 2 709 1 1 8 LEU HB3 H -2.414 0.361 8.311 1.00 . A A . 8 LEU HB3 1 1 2 710 1 1 8 LEU HD11 H -1.792 3.951 7.958 1.00 . A A . 8 LEU HD11 1 1 2 711 1 1 8 LEU HD12 H -0.034 3.914 8.234 1.00 . A A . 8 LEU HD12 1 1 2 712 1 1 8 LEU HD13 H -0.699 3.379 6.677 1.00 . A A . 8 LEU HD13 1 1 2 713 1 1 8 LEU HD21 H -1.007 0.997 10.211 1.00 . A A . 8 LEU HD21 1 1 2 714 1 1 8 LEU HD22 H 0.031 2.440 10.136 1.00 . A A . 8 LEU HD22 1 1 2 715 1 1 8 LEU HD23 H -1.739 2.620 10.206 1.00 . A A . 8 LEU HD23 1 1 2 716 1 1 8 LEU HG H -0.154 1.381 7.914 1.00 . A A . 8 LEU HG 1 1 2 717 1 1 8 LEU N N -3.632 0.567 5.958 1.00 . A A . 8 LEU N 1 1 2 718 1 1 8 LEU O O -1.046 -0.788 6.238 1.00 . A A . 8 LEU O 1 1 2 719 1 1 9 CYS C C 1.781 -0.043 5.316 1.00 . A A . 9 CYS C 1 1 2 720 1 1 9 CYS CA C 0.680 0.169 4.288 1.00 . A A . 9 CYS CA 1 1 2 721 1 1 9 CYS CB C 1.233 0.946 3.097 1.00 . A A . 9 CYS CB 1 1 2 722 1 1 9 CYS H H -0.618 1.840 4.555 1.00 . A A . 9 CYS H 1 1 2 723 1 1 9 CYS HA H 0.327 -0.803 3.942 1.00 . A A . 9 CYS HA 1 1 2 724 1 1 9 CYS HB2 H 0.526 0.906 2.271 1.00 . A A . 9 CYS HB2 1 1 2 725 1 1 9 CYS HB3 H 1.405 1.983 3.381 1.00 . A A . 9 CYS HB3 1 1 2 726 1 1 9 CYS N N -0.436 0.896 4.874 1.00 . A A . 9 CYS N 1 1 2 727 1 1 9 CYS O O 2.228 0.907 5.950 1.00 . A A . 9 CYS O 1 1 2 728 1 1 9 CYS SG S 2.804 0.188 2.596 1.00 . A A . 9 CYS SG 1 1 2 729 1 1 10 THR C C 4.636 -1.558 5.559 1.00 . A A . 10 THR C 1 1 2 730 1 1 10 THR CA C 3.324 -1.627 6.349 1.00 . A A . 10 THR CA 1 1 2 731 1 1 10 THR CB C 3.101 -3.021 6.975 1.00 . A A . 10 THR CB 1 1 2 732 1 1 10 THR CG2 C 2.542 -4.010 5.941 1.00 . A A . 10 THR CG2 1 1 2 733 1 1 10 THR H H 1.811 -2.037 4.919 1.00 . A A . 10 THR H 1 1 2 734 1 1 10 THR HA H 3.361 -0.892 7.155 1.00 . A A . 10 THR HA 1 1 2 735 1 1 10 THR HB H 2.389 -2.932 7.798 1.00 . A A . 10 THR HB 1 1 2 736 1 1 10 THR HG1 H 4.151 -4.321 7.969 1.00 . A A . 10 THR HG1 1 1 2 737 1 1 10 THR HG21 H 3.128 -3.960 5.026 1.00 . A A . 10 THR HG21 1 1 2 738 1 1 10 THR HG22 H 2.591 -5.021 6.345 1.00 . A A . 10 THR HG22 1 1 2 739 1 1 10 THR HG23 H 1.503 -3.763 5.722 1.00 . A A . 10 THR HG23 1 1 2 740 1 1 10 THR N N 2.230 -1.294 5.456 1.00 . A A . 10 THR N 1 1 2 741 1 1 10 THR O O 4.882 -2.379 4.674 1.00 . A A . 10 THR O 1 1 2 742 1 1 10 THR OG1 O 4.324 -3.513 7.478 1.00 . A A . 10 THR OG1 1 1 2 743 1 1 11 ALA C C 7.667 0.445 6.127 1.00 . A A . 11 ALA C 1 1 2 744 1 1 11 ALA CA C 6.751 -0.376 5.211 1.00 . A A . 11 ALA CA 1 1 2 745 1 1 11 ALA CB C 6.524 0.325 3.866 1.00 . A A . 11 ALA CB 1 1 2 746 1 1 11 ALA H H 5.219 0.092 6.603 1.00 . A A . 11 ALA H 1 1 2 747 1 1 11 ALA HA H 7.205 -1.352 5.035 1.00 . A A . 11 ALA HA 1 1 2 748 1 1 11 ALA HB1 H 5.625 0.936 3.918 1.00 . A A . 11 ALA HB1 1 1 2 749 1 1 11 ALA HB2 H 7.379 0.957 3.632 1.00 . A A . 11 ALA HB2 1 1 2 750 1 1 11 ALA HB3 H 6.404 -0.425 3.083 1.00 . A A . 11 ALA HB3 1 1 2 751 1 1 11 ALA N N 5.472 -0.563 5.876 1.00 . A A . 11 ALA N 1 1 2 752 1 1 11 ALA O O 7.180 1.135 7.019 1.00 . A A . 11 ALA O 1 1 2 753 1 1 12 PRO C C 9.850 2.585 6.541 1.00 . A A . 12 PRO C 1 1 2 754 1 1 12 PRO CA C 9.963 1.072 6.740 1.00 . A A . 12 PRO CA 1 1 2 755 1 1 12 PRO CB C 11.331 0.548 6.293 1.00 . A A . 12 PRO CB 1 1 2 756 1 1 12 PRO CD C 9.603 -0.436 4.872 1.00 . A A . 12 PRO CD 1 1 2 757 1 1 12 PRO CG C 11.098 -0.139 4.946 1.00 . A A . 12 PRO CG 1 1 2 758 1 1 12 PRO HA H 9.802 0.827 7.791 1.00 . A A . 12 PRO HA 1 1 2 759 1 1 12 PRO HB2 H 12.042 1.367 6.185 1.00 . A A . 12 PRO HB2 1 1 2 760 1 1 12 PRO HB3 H 11.704 -0.176 7.017 1.00 . A A . 12 PRO HB3 1 1 2 761 1 1 12 PRO HD2 H 9.212 -0.154 3.896 1.00 . A A . 12 PRO HD2 1 1 2 762 1 1 12 PRO HD3 H 9.424 -1.496 5.060 1.00 . A A . 12 PRO HD3 1 1 2 763 1 1 12 PRO HG2 H 11.378 0.534 4.134 1.00 . A A . 12 PRO HG2 1 1 2 764 1 1 12 PRO HG3 H 11.674 -1.063 4.884 1.00 . A A . 12 PRO HG3 1 1 2 765 1 1 12 PRO N N 8.997 0.365 5.919 1.00 . A A . 12 PRO N 1 1 2 766 1 1 12 PRO O O 9.330 3.287 7.403 1.00 . A A . 12 PRO O 1 1 2 767 1 1 13 GLY C C 9.051 4.926 4.402 1.00 . A A . 13 GLY C 1 1 2 768 1 1 13 GLY CA C 10.340 4.511 5.108 1.00 . A A . 13 GLY CA 1 1 2 769 1 1 13 GLY H H 10.751 2.460 4.717 1.00 . A A . 13 GLY H 1 1 2 770 1 1 13 GLY HA2 H 10.435 5.071 6.038 1.00 . A A . 13 GLY HA2 1 1 2 771 1 1 13 GLY HA3 H 11.189 4.746 4.466 1.00 . A A . 13 GLY HA3 1 1 2 772 1 1 13 GLY N N 10.347 3.085 5.399 1.00 . A A . 13 GLY N 1 1 2 773 1 1 13 GLY O O 9.061 5.852 3.595 1.00 . A A . 13 GLY O 1 1 2 774 1 1 14 CYS C C 5.520 3.995 4.923 1.00 . A A . 14 CYS C 1 1 2 775 1 1 14 CYS CA C 6.655 4.584 4.098 1.00 . A A . 14 CYS CA 1 1 2 776 1 1 14 CYS CB C 6.609 4.044 2.672 1.00 . A A . 14 CYS CB 1 1 2 777 1 1 14 CYS H H 7.975 3.481 5.361 1.00 . A A . 14 CYS H 1 1 2 778 1 1 14 CYS HA H 6.550 5.669 4.070 1.00 . A A . 14 CYS HA 1 1 2 779 1 1 14 CYS HB2 H 7.492 4.369 2.123 1.00 . A A . 14 CYS HB2 1 1 2 780 1 1 14 CYS HB3 H 6.576 2.955 2.699 1.00 . A A . 14 CYS HB3 1 1 2 781 1 1 14 CYS N N 7.938 4.248 4.701 1.00 . A A . 14 CYS N 1 1 2 782 1 1 14 CYS O O 5.621 2.869 5.394 1.00 . A A . 14 CYS O 1 1 2 783 1 1 14 CYS SG S 5.124 4.679 1.858 1.00 . A A . 14 CYS SG 1 1 2 784 1 1 15 GLY C C 2.035 5.054 5.396 1.00 . A A . 15 GLY C 1 1 2 785 1 1 15 GLY CA C 3.279 4.299 5.844 1.00 . A A . 15 GLY CA 1 1 2 786 1 1 15 GLY H H 4.404 5.681 4.685 1.00 . A A . 15 GLY H 1 1 2 787 1 1 15 GLY HA2 H 3.133 3.234 5.673 1.00 . A A . 15 GLY HA2 1 1 2 788 1 1 15 GLY HA3 H 3.447 4.475 6.906 1.00 . A A . 15 GLY HA3 1 1 2 789 1 1 15 GLY N N 4.434 4.757 5.090 1.00 . A A . 15 GLY N 1 1 2 790 1 1 15 GLY O O 1.349 5.662 6.213 1.00 . A A . 15 GLY O 1 1 2 791 1 1 16 GLN C C -0.681 4.905 3.827 1.00 . A A . 16 GLN C 1 1 2 792 1 1 16 GLN CA C 0.589 5.703 3.539 1.00 . A A . 16 GLN CA 1 1 2 793 1 1 16 GLN CB C 0.781 5.904 2.033 1.00 . A A . 16 GLN CB 1 1 2 794 1 1 16 GLN CD C 2.157 7.148 0.324 1.00 . A A . 16 GLN CD 1 1 2 795 1 1 16 GLN CG C 1.780 7.042 1.796 1.00 . A A . 16 GLN CG 1 1 2 796 1 1 16 GLN H H 2.336 4.498 3.456 1.00 . A A . 16 GLN H 1 1 2 797 1 1 16 GLN HA H 0.501 6.682 4.013 1.00 . A A . 16 GLN HA 1 1 2 798 1 1 16 GLN HB2 H 1.161 4.984 1.589 1.00 . A A . 16 GLN HB2 1 1 2 799 1 1 16 GLN HB3 H -0.175 6.159 1.576 1.00 . A A . 16 GLN HB3 1 1 2 800 1 1 16 GLN HE21 H 1.358 7.355 -1.535 1.00 . A A . 16 GLN HE21 1 1 2 801 1 1 16 GLN HE22 H 0.203 7.298 -0.222 1.00 . A A . 16 GLN HE22 1 1 2 802 1 1 16 GLN HG2 H 1.333 7.983 2.119 1.00 . A A . 16 GLN HG2 1 1 2 803 1 1 16 GLN HG3 H 2.681 6.856 2.382 1.00 . A A . 16 GLN HG3 1 1 2 804 1 1 16 GLN N N 1.744 5.016 4.088 1.00 . A A . 16 GLN N 1 1 2 805 1 1 16 GLN NE2 N 1.158 7.277 -0.548 1.00 . A A . 16 GLN NE2 1 1 2 806 1 1 16 GLN O O -0.621 3.701 4.092 1.00 . A A . 16 GLN O 1 1 2 807 1 1 16 GLN OE1 O 3.337 7.112 -0.017 1.00 . A A . 16 GLN OE1 1 1 2 808 1 1 17 ARG C C -4.028 5.265 2.852 1.00 . A A . 17 ARG C 1 1 2 809 1 1 17 ARG CA C -3.126 4.998 4.038 1.00 . A A . 17 ARG CA 1 1 2 810 1 1 17 ARG CB C -3.714 5.595 5.321 1.00 . A A . 17 ARG CB 1 1 2 811 1 1 17 ARG CD C -6.236 5.473 5.406 1.00 . A A . 17 ARG CD 1 1 2 812 1 1 17 ARG CG C -4.926 4.774 5.792 1.00 . A A . 17 ARG CG 1 1 2 813 1 1 17 ARG CZ C -8.657 4.958 5.487 1.00 . A A . 17 ARG CZ 1 1 2 814 1 1 17 ARG H H -1.797 6.573 3.529 1.00 . A A . 17 ARG H 1 1 2 815 1 1 17 ARG HA H -3.014 3.923 4.164 1.00 . A A . 17 ARG HA 1 1 2 816 1 1 17 ARG HB2 H -2.955 5.575 6.096 1.00 . A A . 17 ARG HB2 1 1 2 817 1 1 17 ARG HB3 H -4.017 6.628 5.140 1.00 . A A . 17 ARG HB3 1 1 2 818 1 1 17 ARG HD2 H -6.281 6.449 5.893 1.00 . A A . 17 ARG HD2 1 1 2 819 1 1 17 ARG HD3 H -6.273 5.611 4.324 1.00 . A A . 17 ARG HD3 1 1 2 820 1 1 17 ARG HE H -7.207 3.860 6.404 1.00 . A A . 17 ARG HE 1 1 2 821 1 1 17 ARG HG2 H -4.896 3.784 5.339 1.00 . A A . 17 ARG HG2 1 1 2 822 1 1 17 ARG HG3 H -4.886 4.671 6.877 1.00 . A A . 17 ARG HG3 1 1 2 823 1 1 17 ARG HH11 H -8.195 6.670 4.478 1.00 . A A . 17 ARG HH11 1 1 2 824 1 1 17 ARG HH12 H -9.902 6.258 4.520 1.00 . A A . 17 ARG HH12 1 1 2 825 1 1 17 ARG HH21 H -9.454 3.313 6.391 1.00 . A A . 17 ARG HH21 1 1 2 826 1 1 17 ARG HH22 H -10.608 4.385 5.618 1.00 . A A . 17 ARG HH22 1 1 2 827 1 1 17 ARG N N -1.825 5.594 3.772 1.00 . A A . 17 ARG N 1 1 2 828 1 1 17 ARG NE N -7.389 4.669 5.828 1.00 . A A . 17 ARG NE 1 1 2 829 1 1 17 ARG NH1 N -8.936 6.052 4.770 1.00 . A A . 17 ARG NH1 1 1 2 830 1 1 17 ARG NH2 N -9.650 4.150 5.865 1.00 . A A . 17 ARG NH2 1 1 2 831 1 1 17 ARG O O -3.860 6.266 2.155 1.00 . A A . 17 ARG O 1 1 2 832 1 1 18 PHE C C -7.295 4.091 1.907 1.00 . A A . 18 PHE C 1 1 2 833 1 1 18 PHE CA C -5.887 4.482 1.493 1.00 . A A . 18 PHE CA 1 1 2 834 1 1 18 PHE CB C -5.383 3.578 0.365 1.00 . A A . 18 PHE CB 1 1 2 835 1 1 18 PHE CD1 C -2.905 3.240 0.724 1.00 . A A . 18 PHE CD1 1 1 2 836 1 1 18 PHE CD2 C -3.631 4.736 -1.052 1.00 . A A . 18 PHE CD2 1 1 2 837 1 1 18 PHE CE1 C -1.566 3.514 0.411 1.00 . A A . 18 PHE CE1 1 1 2 838 1 1 18 PHE CE2 C -2.289 5.008 -1.368 1.00 . A A . 18 PHE CE2 1 1 2 839 1 1 18 PHE CG C -3.940 3.851 -0.005 1.00 . A A . 18 PHE CG 1 1 2 840 1 1 18 PHE CZ C -1.258 4.398 -0.633 1.00 . A A . 18 PHE CZ 1 1 2 841 1 1 18 PHE H H -5.074 3.570 3.237 1.00 . A A . 18 PHE H 1 1 2 842 1 1 18 PHE HA H -5.897 5.514 1.142 1.00 . A A . 18 PHE HA 1 1 2 843 1 1 18 PHE HB2 H -5.476 2.537 0.684 1.00 . A A . 18 PHE HB2 1 1 2 844 1 1 18 PHE HB3 H -6.008 3.732 -0.515 1.00 . A A . 18 PHE HB3 1 1 2 845 1 1 18 PHE HD1 H -3.141 2.572 1.534 1.00 . A A . 18 PHE HD1 1 1 2 846 1 1 18 PHE HD2 H -4.424 5.212 -1.611 1.00 . A A . 18 PHE HD2 1 1 2 847 1 1 18 PHE HE1 H -0.773 3.049 0.976 1.00 . A A . 18 PHE HE1 1 1 2 848 1 1 18 PHE HE2 H -2.050 5.690 -2.171 1.00 . A A . 18 PHE HE2 1 1 2 849 1 1 18 PHE HZ H -0.229 4.612 -0.867 1.00 . A A . 18 PHE HZ 1 1 2 850 1 1 18 PHE N N -4.979 4.366 2.619 1.00 . A A . 18 PHE N 1 1 2 851 1 1 18 PHE O O -7.506 3.576 3.003 1.00 . A A . 18 PHE O 1 1 2 852 1 1 19 THR C C -9.986 2.686 0.501 1.00 . A A . 19 THR C 1 1 2 853 1 1 19 THR CA C -9.650 3.998 1.227 1.00 . A A . 19 THR CA 1 1 2 854 1 1 19 THR CB C -10.534 5.156 0.724 1.00 . A A . 19 THR CB 1 1 2 855 1 1 19 THR CG2 C -10.340 5.365 -0.784 1.00 . A A . 19 THR CG2 1 1 2 856 1 1 19 THR H H -8.002 4.779 0.142 1.00 . A A . 19 THR H 1 1 2 857 1 1 19 THR HA H -9.825 3.864 2.295 1.00 . A A . 19 THR HA 1 1 2 858 1 1 19 THR HB H -10.261 6.070 1.250 1.00 . A A . 19 THR HB 1 1 2 859 1 1 19 THR HG1 H -12.078 3.974 0.662 1.00 . A A . 19 THR HG1 1 1 2 860 1 1 19 THR HG21 H -10.564 4.441 -1.317 1.00 . A A . 19 THR HG21 1 1 2 861 1 1 19 THR HG22 H -11.013 6.150 -1.128 1.00 . A A . 19 THR HG22 1 1 2 862 1 1 19 THR HG23 H -9.312 5.661 -0.985 1.00 . A A . 19 THR HG23 1 1 2 863 1 1 19 THR N N -8.251 4.340 1.011 1.00 . A A . 19 THR N 1 1 2 864 1 1 19 THR O O -11.141 2.266 0.494 1.00 . A A . 19 THR O 1 1 2 865 1 1 19 THR OG1 O -11.890 4.864 0.981 1.00 . A A . 19 THR OG1 1 1 2 866 1 1 20 ASN C C -7.892 -0.036 -0.786 1.00 . A A . 20 ASN C 1 1 2 867 1 1 20 ASN CA C -9.163 0.802 -0.847 1.00 . A A . 20 ASN CA 1 1 2 868 1 1 20 ASN CB C -9.488 1.126 -2.311 1.00 . A A . 20 ASN CB 1 1 2 869 1 1 20 ASN CG C -10.992 1.152 -2.557 1.00 . A A . 20 ASN CG 1 1 2 870 1 1 20 ASN H H -8.042 2.429 -0.068 1.00 . A A . 20 ASN H 1 1 2 871 1 1 20 ASN HA H -9.987 0.238 -0.407 1.00 . A A . 20 ASN HA 1 1 2 872 1 1 20 ASN HB2 H -9.065 2.095 -2.566 1.00 . A A . 20 ASN HB2 1 1 2 873 1 1 20 ASN HB3 H -9.040 0.366 -2.952 1.00 . A A . 20 ASN HB3 1 1 2 874 1 1 20 ASN HD21 H -10.955 -0.780 -3.221 1.00 . A A . 20 ASN HD21 1 1 2 875 1 1 20 ASN HD22 H -12.541 -0.024 -3.150 1.00 . A A . 20 ASN HD22 1 1 2 876 1 1 20 ASN N N -8.973 2.045 -0.111 1.00 . A A . 20 ASN N 1 1 2 877 1 1 20 ASN ND2 N -11.543 0.027 -3.012 1.00 . A A . 20 ASN ND2 1 1 2 878 1 1 20 ASN O O -6.791 0.490 -0.969 1.00 . A A . 20 ASN O 1 1 2 879 1 1 20 ASN OD1 O -11.641 2.171 -2.344 1.00 . A A . 20 ASN OD1 1 1 2 880 1 1 21 GLU C C -6.317 -2.328 -1.960 1.00 . A A . 21 GLU C 1 1 2 881 1 1 21 GLU CA C -6.906 -2.260 -0.550 1.00 . A A . 21 GLU CA 1 1 2 882 1 1 21 GLU CB C -7.316 -3.659 -0.048 1.00 . A A . 21 GLU CB 1 1 2 883 1 1 21 GLU CD C -9.089 -5.440 -0.080 1.00 . A A . 21 GLU CD 1 1 2 884 1 1 21 GLU CG C -8.571 -4.178 -0.765 1.00 . A A . 21 GLU CG 1 1 2 885 1 1 21 GLU H H -8.961 -1.721 -0.379 1.00 . A A . 21 GLU H 1 1 2 886 1 1 21 GLU HA H -6.145 -1.865 0.119 1.00 . A A . 21 GLU HA 1 1 2 887 1 1 21 GLU HB2 H -6.494 -4.355 -0.222 1.00 . A A . 21 GLU HB2 1 1 2 888 1 1 21 GLU HB3 H -7.511 -3.611 1.018 1.00 . A A . 21 GLU HB3 1 1 2 889 1 1 21 GLU HG2 H -9.352 -3.424 -0.741 1.00 . A A . 21 GLU HG2 1 1 2 890 1 1 21 GLU HG3 H -8.325 -4.407 -1.803 1.00 . A A . 21 GLU HG3 1 1 2 891 1 1 21 GLU N N -8.042 -1.346 -0.550 1.00 . A A . 21 GLU N 1 1 2 892 1 1 21 GLU O O -5.148 -2.662 -2.127 1.00 . A A . 21 GLU O 1 1 2 893 1 1 21 GLU OE1 O -9.662 -5.293 1.028 1.00 . A A . 21 GLU OE1 1 1 2 894 1 1 21 GLU OE2 O -8.904 -6.525 -0.669 1.00 . A A . 21 GLU OE2 1 1 2 895 1 1 22 ASP C C -5.514 -0.983 -4.482 1.00 . A A . 22 ASP C 1 1 2 896 1 1 22 ASP CA C -6.688 -1.954 -4.351 1.00 . A A . 22 ASP CA 1 1 2 897 1 1 22 ASP CB C -7.853 -1.496 -5.231 1.00 . A A . 22 ASP CB 1 1 2 898 1 1 22 ASP CG C -9.120 -2.289 -4.931 1.00 . A A . 22 ASP CG 1 1 2 899 1 1 22 ASP H H -8.091 -1.745 -2.772 1.00 . A A . 22 ASP H 1 1 2 900 1 1 22 ASP HA H -6.371 -2.952 -4.658 1.00 . A A . 22 ASP HA 1 1 2 901 1 1 22 ASP HB2 H -8.044 -0.440 -5.044 1.00 . A A . 22 ASP HB2 1 1 2 902 1 1 22 ASP HB3 H -7.584 -1.630 -6.279 1.00 . A A . 22 ASP HB3 1 1 2 903 1 1 22 ASP N N -7.130 -1.992 -2.969 1.00 . A A . 22 ASP N 1 1 2 904 1 1 22 ASP O O -4.503 -1.296 -5.113 1.00 . A A . 22 ASP O 1 1 2 905 1 1 22 ASP OD1 O -9.782 -1.940 -3.925 1.00 . A A . 22 ASP OD1 1 1 2 906 1 1 22 ASP OD2 O -9.403 -3.224 -5.710 1.00 . A A . 22 ASP OD2 1 1 2 907 1 1 23 HIS C C -3.423 0.743 -3.103 1.00 . A A . 23 HIS C 1 1 2 908 1 1 23 HIS CA C -4.621 1.220 -3.915 1.00 . A A . 23 HIS CA 1 1 2 909 1 1 23 HIS CB C -5.170 2.532 -3.351 1.00 . A A . 23 HIS CB 1 1 2 910 1 1 23 HIS CD2 C -6.961 2.692 -5.282 1.00 . A A . 23 HIS CD2 1 1 2 911 1 1 23 HIS CE1 C -8.273 4.126 -4.407 1.00 . A A . 23 HIS CE1 1 1 2 912 1 1 23 HIS CG C -6.412 3.004 -4.063 1.00 . A A . 23 HIS CG 1 1 2 913 1 1 23 HIS H H -6.507 0.403 -3.370 1.00 . A A . 23 HIS H 1 1 2 914 1 1 23 HIS HA H -4.313 1.377 -4.949 1.00 . A A . 23 HIS HA 1 1 2 915 1 1 23 HIS HB2 H -5.403 2.389 -2.298 1.00 . A A . 23 HIS HB2 1 1 2 916 1 1 23 HIS HB3 H -4.401 3.300 -3.441 1.00 . A A . 23 HIS HB3 1 1 2 917 1 1 23 HIS HD1 H -7.189 4.392 -2.615 1.00 . A A . 23 HIS HD1 1 1 2 918 1 1 23 HIS HD2 H -6.532 1.986 -5.978 1.00 . A A . 23 HIS HD2 1 1 2 919 1 1 23 HIS HE1 H -9.097 4.803 -4.245 1.00 . A A . 23 HIS HE1 1 1 2 920 1 1 23 HIS N N -5.658 0.202 -3.878 1.00 . A A . 23 HIS N 1 1 2 921 1 1 23 HIS ND1 N -7.281 3.940 -3.512 1.00 . A A . 23 HIS ND1 1 1 2 922 1 1 23 HIS NE2 N -8.136 3.392 -5.512 1.00 . A A . 23 HIS NE2 1 1 2 923 1 1 23 HIS O O -2.277 1.027 -3.449 1.00 . A A . 23 HIS O 1 1 2 924 1 1 24 LEU C C -1.855 -1.591 -1.952 1.00 . A A . 24 LEU C 1 1 2 925 1 1 24 LEU CA C -2.641 -0.531 -1.181 1.00 . A A . 24 LEU CA 1 1 2 926 1 1 24 LEU CB C -3.257 -1.140 0.078 1.00 . A A . 24 LEU CB 1 1 2 927 1 1 24 LEU CD1 C -2.162 0.118 1.938 1.00 . A A . 24 LEU CD1 1 1 2 928 1 1 24 LEU CD2 C -2.576 -2.323 2.180 1.00 . A A . 24 LEU CD2 1 1 2 929 1 1 24 LEU CG C -2.203 -1.211 1.198 1.00 . A A . 24 LEU CG 1 1 2 930 1 1 24 LEU H H -4.658 -0.188 -1.778 1.00 . A A . 24 LEU H 1 1 2 931 1 1 24 LEU HA H -1.970 0.277 -0.894 1.00 . A A . 24 LEU HA 1 1 2 932 1 1 24 LEU HB2 H -4.094 -0.525 0.406 1.00 . A A . 24 LEU HB2 1 1 2 933 1 1 24 LEU HB3 H -3.617 -2.144 -0.147 1.00 . A A . 24 LEU HB3 1 1 2 934 1 1 24 LEU HD11 H -3.176 0.453 2.135 1.00 . A A . 24 LEU HD11 1 1 2 935 1 1 24 LEU HD12 H -1.635 -0.009 2.877 1.00 . A A . 24 LEU HD12 1 1 2 936 1 1 24 LEU HD13 H -1.646 0.856 1.328 1.00 . A A . 24 LEU HD13 1 1 2 937 1 1 24 LEU HD21 H -3.556 -2.114 2.610 1.00 . A A . 24 LEU HD21 1 1 2 938 1 1 24 LEU HD22 H -2.605 -3.278 1.655 1.00 . A A . 24 LEU HD22 1 1 2 939 1 1 24 LEU HD23 H -1.834 -2.369 2.976 1.00 . A A . 24 LEU HD23 1 1 2 940 1 1 24 LEU HG H -1.214 -1.412 0.774 1.00 . A A . 24 LEU HG 1 1 2 941 1 1 24 LEU N N -3.694 0.009 -2.023 1.00 . A A . 24 LEU N 1 1 2 942 1 1 24 LEU O O -0.664 -1.755 -1.726 1.00 . A A . 24 LEU O 1 1 2 943 1 1 25 ALA C C -0.819 -2.757 -4.551 1.00 . A A . 25 ALA C 1 1 2 944 1 1 25 ALA CA C -1.892 -3.356 -3.645 1.00 . A A . 25 ALA CA 1 1 2 945 1 1 25 ALA CB C -2.950 -4.094 -4.469 1.00 . A A . 25 ALA CB 1 1 2 946 1 1 25 ALA H H -3.513 -2.134 -3.009 1.00 . A A . 25 ALA H 1 1 2 947 1 1 25 ALA HA H -1.420 -4.068 -2.964 1.00 . A A . 25 ALA HA 1 1 2 948 1 1 25 ALA HB1 H -3.746 -4.443 -3.810 1.00 . A A . 25 ALA HB1 1 1 2 949 1 1 25 ALA HB2 H -3.367 -3.422 -5.216 1.00 . A A . 25 ALA HB2 1 1 2 950 1 1 25 ALA HB3 H -2.491 -4.948 -4.966 1.00 . A A . 25 ALA HB3 1 1 2 951 1 1 25 ALA N N -2.528 -2.310 -2.860 1.00 . A A . 25 ALA N 1 1 2 952 1 1 25 ALA O O 0.339 -3.152 -4.473 1.00 . A A . 25 ALA O 1 1 2 953 1 1 26 VAL C C 0.851 -0.466 -5.536 1.00 . A A . 26 VAL C 1 1 2 954 1 1 26 VAL CA C -0.250 -1.173 -6.330 1.00 . A A . 26 VAL CA 1 1 2 955 1 1 26 VAL CB C -0.978 -0.189 -7.271 1.00 . A A . 26 VAL CB 1 1 2 956 1 1 26 VAL CG1 C -1.983 -0.955 -8.136 1.00 . A A . 26 VAL CG1 1 1 2 957 1 1 26 VAL CG2 C -1.718 0.895 -6.471 1.00 . A A . 26 VAL CG2 1 1 2 958 1 1 26 VAL H H -2.168 -1.510 -5.441 1.00 . A A . 26 VAL H 1 1 2 959 1 1 26 VAL HA H 0.211 -1.952 -6.938 1.00 . A A . 26 VAL HA 1 1 2 960 1 1 26 VAL HB H -0.243 0.289 -7.920 1.00 . A A . 26 VAL HB 1 1 2 961 1 1 26 VAL HG11 H -1.468 -1.754 -8.670 1.00 . A A . 26 VAL HG11 1 1 2 962 1 1 26 VAL HG12 H -2.760 -1.384 -7.503 1.00 . A A . 26 VAL HG12 1 1 2 963 1 1 26 VAL HG13 H -2.438 -0.273 -8.855 1.00 . A A . 26 VAL HG13 1 1 2 964 1 1 26 VAL HG21 H -2.422 0.427 -5.790 1.00 . A A . 26 VAL HG21 1 1 2 965 1 1 26 VAL HG22 H -1.004 1.494 -5.904 1.00 . A A . 26 VAL HG22 1 1 2 966 1 1 26 VAL HG23 H -2.261 1.542 -7.158 1.00 . A A . 26 VAL HG23 1 1 2 967 1 1 26 VAL N N -1.201 -1.804 -5.414 1.00 . A A . 26 VAL N 1 1 2 968 1 1 26 VAL O O 2.022 -0.516 -5.910 1.00 . A A . 26 VAL O 1 1 2 969 1 1 27 HIS C C 2.429 -0.049 -2.994 1.00 . A A . 27 HIS C 1 1 2 970 1 1 27 HIS CA C 1.399 0.910 -3.591 1.00 . A A . 27 HIS CA 1 1 2 971 1 1 27 HIS CB C 0.600 1.593 -2.486 1.00 . A A . 27 HIS CB 1 1 2 972 1 1 27 HIS CD2 C 1.822 1.907 -0.203 1.00 . A A . 27 HIS CD2 1 1 2 973 1 1 27 HIS CE1 C 2.760 3.782 -0.566 1.00 . A A . 27 HIS CE1 1 1 2 974 1 1 27 HIS CG C 1.463 2.266 -1.469 1.00 . A A . 27 HIS CG 1 1 2 975 1 1 27 HIS H H -0.511 0.192 -4.176 1.00 . A A . 27 HIS H 1 1 2 976 1 1 27 HIS HA H 1.914 1.667 -4.184 1.00 . A A . 27 HIS HA 1 1 2 977 1 1 27 HIS HB2 H -0.061 2.335 -2.935 1.00 . A A . 27 HIS HB2 1 1 2 978 1 1 27 HIS HB3 H -0.004 0.841 -1.980 1.00 . A A . 27 HIS HB3 1 1 2 979 1 1 27 HIS HD1 H 2.038 4.042 -2.533 1.00 . A A . 27 HIS HD1 1 1 2 980 1 1 27 HIS HD2 H 1.505 0.992 0.276 1.00 . A A . 27 HIS HD2 1 1 2 981 1 1 27 HIS HE1 H 3.344 4.680 -0.448 1.00 . A A . 27 HIS HE1 1 1 2 982 1 1 27 HIS N N 0.468 0.188 -4.437 1.00 . A A . 27 HIS N 1 1 2 983 1 1 27 HIS ND1 N 2.085 3.486 -1.691 1.00 . A A . 27 HIS ND1 1 1 2 984 1 1 27 HIS NE2 N 2.639 2.857 0.389 1.00 . A A . 27 HIS NE2 1 1 2 985 1 1 27 HIS O O 3.631 0.203 -3.054 1.00 . A A . 27 HIS O 1 1 2 986 1 1 28 LYS C C 3.666 -2.824 -2.838 1.00 . A A . 28 LYS C 1 1 2 987 1 1 28 LYS CA C 2.804 -2.133 -1.784 1.00 . A A . 28 LYS CA 1 1 2 988 1 1 28 LYS CB C 1.926 -3.139 -1.028 1.00 . A A . 28 LYS CB 1 1 2 989 1 1 28 LYS CD C 3.715 -3.504 0.708 1.00 . A A . 28 LYS CD 1 1 2 990 1 1 28 LYS CE C 4.324 -4.568 1.629 1.00 . A A . 28 LYS CE 1 1 2 991 1 1 28 LYS CG C 2.788 -4.183 -0.306 1.00 . A A . 28 LYS CG 1 1 2 992 1 1 28 LYS H H 0.952 -1.305 -2.400 1.00 . A A . 28 LYS H 1 1 2 993 1 1 28 LYS HA H 3.453 -1.626 -1.075 1.00 . A A . 28 LYS HA 1 1 2 994 1 1 28 LYS HB2 H 1.320 -2.607 -0.295 1.00 . A A . 28 LYS HB2 1 1 2 995 1 1 28 LYS HB3 H 1.269 -3.646 -1.736 1.00 . A A . 28 LYS HB3 1 1 2 996 1 1 28 LYS HD2 H 4.512 -2.983 0.181 1.00 . A A . 28 LYS HD2 1 1 2 997 1 1 28 LYS HD3 H 3.143 -2.788 1.302 1.00 . A A . 28 LYS HD3 1 1 2 998 1 1 28 LYS HE2 H 3.539 -4.992 2.256 1.00 . A A . 28 LYS HE2 1 1 2 999 1 1 28 LYS HE3 H 4.759 -5.361 1.017 1.00 . A A . 28 LYS HE3 1 1 2 1000 1 1 28 LYS HG2 H 2.132 -4.879 0.217 1.00 . A A . 28 LYS HG2 1 1 2 1001 1 1 28 LYS HG3 H 3.384 -4.730 -1.035 1.00 . A A . 28 LYS HG3 1 1 2 1002 1 1 28 LYS HZ1 H 6.077 -3.552 1.919 1.00 . A A . 28 LYS HZ1 1 1 2 1003 1 1 28 LYS HZ2 H 4.968 -3.313 3.121 1.00 . A A . 28 LYS HZ2 1 1 2 1004 1 1 28 LYS HZ3 H 5.804 -4.736 3.033 1.00 . A A . 28 LYS HZ3 1 1 2 1005 1 1 28 LYS N N 1.947 -1.147 -2.412 1.00 . A A . 28 LYS N 1 1 2 1006 1 1 28 LYS NZ N 5.375 -3.997 2.492 1.00 . A A . 28 LYS NZ 1 1 2 1007 1 1 28 LYS O O 4.831 -3.117 -2.585 1.00 . A A . 28 LYS O 1 1 2 1008 1 1 29 HIS C C 4.986 -2.832 -5.546 1.00 . A A . 29 HIS C 1 1 2 1009 1 1 29 HIS CA C 3.828 -3.724 -5.099 1.00 . A A . 29 HIS CA 1 1 2 1010 1 1 29 HIS CB C 2.884 -4.013 -6.265 1.00 . A A . 29 HIS CB 1 1 2 1011 1 1 29 HIS CD2 C 3.617 -4.548 -8.737 1.00 . A A . 29 HIS CD2 1 1 2 1012 1 1 29 HIS CE1 C 4.789 -6.293 -8.377 1.00 . A A . 29 HIS CE1 1 1 2 1013 1 1 29 HIS CG C 3.566 -4.759 -7.383 1.00 . A A . 29 HIS CG 1 1 2 1014 1 1 29 HIS H H 2.132 -2.823 -4.180 1.00 . A A . 29 HIS H 1 1 2 1015 1 1 29 HIS HA H 4.230 -4.667 -4.733 1.00 . A A . 29 HIS HA 1 1 2 1016 1 1 29 HIS HB2 H 2.048 -4.611 -5.903 1.00 . A A . 29 HIS HB2 1 1 2 1017 1 1 29 HIS HB3 H 2.500 -3.069 -6.654 1.00 . A A . 29 HIS HB3 1 1 2 1018 1 1 29 HIS HD1 H 4.523 -6.353 -6.278 1.00 . A A . 29 HIS HD1 1 1 2 1019 1 1 29 HIS HD2 H 3.121 -3.733 -9.243 1.00 . A A . 29 HIS HD2 1 1 2 1020 1 1 29 HIS HE1 H 5.418 -7.160 -8.520 1.00 . A A . 29 HIS HE1 1 1 2 1021 1 1 29 HIS N N 3.097 -3.081 -4.021 1.00 . A A . 29 HIS N 1 1 2 1022 1 1 29 HIS ND1 N 4.336 -5.901 -7.169 1.00 . A A . 29 HIS ND1 1 1 2 1023 1 1 29 HIS NE2 N 4.386 -5.508 -9.378 1.00 . A A . 29 HIS NE2 1 1 2 1024 1 1 29 HIS O O 6.032 -3.333 -5.937 1.00 . A A . 29 HIS O 1 1 2 1025 1 1 30 LYS C C 7.033 -0.723 -4.878 1.00 . A A . 30 LYS C 1 1 2 1026 1 1 30 LYS CA C 5.856 -0.569 -5.845 1.00 . A A . 30 LYS CA 1 1 2 1027 1 1 30 LYS CB C 5.297 0.862 -5.822 1.00 . A A . 30 LYS CB 1 1 2 1028 1 1 30 LYS CD C 7.115 2.570 -5.493 1.00 . A A . 30 LYS CD 1 1 2 1029 1 1 30 LYS CE C 8.291 3.263 -6.189 1.00 . A A . 30 LYS CE 1 1 2 1030 1 1 30 LYS CG C 6.267 1.819 -6.528 1.00 . A A . 30 LYS CG 1 1 2 1031 1 1 30 LYS H H 3.915 -1.136 -5.162 1.00 . A A . 30 LYS H 1 1 2 1032 1 1 30 LYS HA H 6.199 -0.803 -6.856 1.00 . A A . 30 LYS HA 1 1 2 1033 1 1 30 LYS HB2 H 4.338 0.879 -6.340 1.00 . A A . 30 LYS HB2 1 1 2 1034 1 1 30 LYS HB3 H 5.155 1.182 -4.790 1.00 . A A . 30 LYS HB3 1 1 2 1035 1 1 30 LYS HD2 H 6.498 3.316 -4.988 1.00 . A A . 30 LYS HD2 1 1 2 1036 1 1 30 LYS HD3 H 7.500 1.864 -4.757 1.00 . A A . 30 LYS HD3 1 1 2 1037 1 1 30 LYS HE2 H 8.946 3.697 -5.433 1.00 . A A . 30 LYS HE2 1 1 2 1038 1 1 30 LYS HE3 H 8.852 2.524 -6.762 1.00 . A A . 30 LYS HE3 1 1 2 1039 1 1 30 LYS HG2 H 6.919 1.252 -7.191 1.00 . A A . 30 LYS HG2 1 1 2 1040 1 1 30 LYS HG3 H 5.694 2.538 -7.114 1.00 . A A . 30 LYS HG3 1 1 2 1041 1 1 30 LYS HZ1 H 7.112 3.965 -7.717 1.00 . A A . 30 LYS HZ1 1 1 2 1042 1 1 30 LYS HZ2 H 7.448 5.092 -6.557 1.00 . A A . 30 LYS HZ2 1 1 2 1043 1 1 30 LYS HZ3 H 8.609 4.663 -7.650 1.00 . A A . 30 LYS HZ3 1 1 2 1044 1 1 30 LYS N N 4.804 -1.507 -5.478 1.00 . A A . 30 LYS N 1 1 2 1045 1 1 30 LYS NZ N 7.829 4.329 -7.097 1.00 . A A . 30 LYS NZ 1 1 2 1046 1 1 30 LYS O O 8.187 -0.653 -5.291 1.00 . A A . 30 LYS O 1 1 2 1047 1 1 31 HIS C C 8.430 -2.503 -2.805 1.00 . A A . 31 HIS C 1 1 2 1048 1 1 31 HIS CA C 7.765 -1.148 -2.577 1.00 . A A . 31 HIS CA 1 1 2 1049 1 1 31 HIS CB C 7.136 -1.090 -1.181 1.00 . A A . 31 HIS CB 1 1 2 1050 1 1 31 HIS CD2 C 5.417 0.720 -0.335 1.00 . A A . 31 HIS CD2 1 1 2 1051 1 1 31 HIS CE1 C 6.634 2.458 -0.558 1.00 . A A . 31 HIS CE1 1 1 2 1052 1 1 31 HIS CG C 6.621 0.279 -0.829 1.00 . A A . 31 HIS CG 1 1 2 1053 1 1 31 HIS H H 5.765 -0.977 -3.297 1.00 . A A . 31 HIS H 1 1 2 1054 1 1 31 HIS HA H 8.516 -0.363 -2.664 1.00 . A A . 31 HIS HA 1 1 2 1055 1 1 31 HIS HB2 H 6.312 -1.800 -1.134 1.00 . A A . 31 HIS HB2 1 1 2 1056 1 1 31 HIS HB3 H 7.888 -1.378 -0.446 1.00 . A A . 31 HIS HB3 1 1 2 1057 1 1 31 HIS HD1 H 8.343 1.474 -1.307 1.00 . A A . 31 HIS HD1 1 1 2 1058 1 1 31 HIS HD2 H 4.573 0.076 -0.108 1.00 . A A . 31 HIS HD2 1 1 2 1059 1 1 31 HIS HE1 H 6.978 3.481 -0.555 1.00 . A A . 31 HIS HE1 1 1 2 1060 1 1 31 HIS N N 6.733 -0.943 -3.586 1.00 . A A . 31 HIS N 1 1 2 1061 1 1 31 HIS ND1 N 7.394 1.425 -0.967 1.00 . A A . 31 HIS ND1 1 1 2 1062 1 1 31 HIS NE2 N 5.415 2.096 -0.155 1.00 . A A . 31 HIS NE2 1 1 2 1063 1 1 31 HIS O O 9.650 -2.620 -2.721 1.00 . A A . 31 HIS O 1 1 2 1064 1 1 32 GLU C C 9.061 -4.835 -4.550 1.00 . A A . 32 GLU C 1 1 2 1065 1 1 32 GLU CA C 8.091 -4.867 -3.367 1.00 . A A . 32 GLU CA 1 1 2 1066 1 1 32 GLU CB C 6.877 -5.751 -3.676 1.00 . A A . 32 GLU CB 1 1 2 1067 1 1 32 GLU CD C 6.104 -8.058 -4.289 1.00 . A A . 32 GLU CD 1 1 2 1068 1 1 32 GLU CG C 7.306 -7.202 -3.905 1.00 . A A . 32 GLU CG 1 1 2 1069 1 1 32 GLU H H 6.614 -3.356 -3.134 1.00 . A A . 32 GLU H 1 1 2 1070 1 1 32 GLU HA H 8.607 -5.252 -2.486 1.00 . A A . 32 GLU HA 1 1 2 1071 1 1 32 GLU HB2 H 6.180 -5.712 -2.838 1.00 . A A . 32 GLU HB2 1 1 2 1072 1 1 32 GLU HB3 H 6.383 -5.380 -4.571 1.00 . A A . 32 GLU HB3 1 1 2 1073 1 1 32 GLU HG2 H 8.041 -7.241 -4.708 1.00 . A A . 32 GLU HG2 1 1 2 1074 1 1 32 GLU HG3 H 7.752 -7.595 -2.991 1.00 . A A . 32 GLU HG3 1 1 2 1075 1 1 32 GLU N N 7.612 -3.520 -3.095 1.00 . A A . 32 GLU N 1 1 2 1076 1 1 32 GLU O O 10.118 -5.464 -4.513 1.00 . A A . 32 GLU O 1 1 2 1077 1 1 32 GLU OE1 O 5.325 -7.592 -5.154 1.00 . A A . 32 GLU OE1 1 1 2 1078 1 1 32 GLU OE2 O 5.984 -9.160 -3.713 1.00 . A A . 32 GLU OE2 1 1 2 1079 1 1 33 MET C C 10.800 -3.236 -6.462 1.00 . A A . 33 MET C 1 1 2 1080 1 1 33 MET CA C 9.497 -3.966 -6.794 1.00 . A A . 33 MET CA 1 1 2 1081 1 1 33 MET CB C 8.689 -3.212 -7.856 1.00 . A A . 33 MET CB 1 1 2 1082 1 1 33 MET CE C 9.922 -2.473 -11.784 1.00 . A A . 33 MET CE 1 1 2 1083 1 1 33 MET CG C 9.537 -2.996 -9.110 1.00 . A A . 33 MET CG 1 1 2 1084 1 1 33 MET H H 7.808 -3.599 -5.566 1.00 . A A . 33 MET H 1 1 2 1085 1 1 33 MET HA H 9.734 -4.964 -7.169 1.00 . A A . 33 MET HA 1 1 2 1086 1 1 33 MET HB2 H 7.805 -3.795 -8.116 1.00 . A A . 33 MET HB2 1 1 2 1087 1 1 33 MET HB3 H 8.379 -2.245 -7.460 1.00 . A A . 33 MET HB3 1 1 2 1088 1 1 33 MET HE1 H 10.601 -1.683 -11.467 1.00 . A A . 33 MET HE1 1 1 2 1089 1 1 33 MET HE2 H 10.463 -3.418 -11.838 1.00 . A A . 33 MET HE2 1 1 2 1090 1 1 33 MET HE3 H 9.516 -2.232 -12.765 1.00 . A A . 33 MET HE3 1 1 2 1091 1 1 33 MET HG2 H 10.222 -2.169 -8.926 1.00 . A A . 33 MET HG2 1 1 2 1092 1 1 33 MET HG3 H 10.118 -3.897 -9.298 1.00 . A A . 33 MET HG3 1 1 2 1093 1 1 33 MET N N 8.687 -4.095 -5.598 1.00 . A A . 33 MET N 1 1 2 1094 1 1 33 MET O O 10.812 -2.318 -5.640 1.00 . A A . 33 MET O 1 1 2 1095 1 1 33 MET SD S 8.569 -2.621 -10.591 1.00 . A A . 33 MET SD 1 1 2 1096 1 1 34 THR C C 13.281 -1.701 -7.579 1.00 . A A . 34 THR C 1 1 2 1097 1 1 34 THR CA C 13.203 -3.059 -6.883 1.00 . A A . 34 THR CA 1 1 2 1098 1 1 34 THR CB C 14.280 -4.017 -7.409 1.00 . A A . 34 THR CB 1 1 2 1099 1 1 34 THR CG2 C 14.468 -5.170 -6.421 1.00 . A A . 34 THR CG2 1 1 2 1100 1 1 34 THR H H 11.828 -4.403 -7.774 1.00 . A A . 34 THR H 1 1 2 1101 1 1 34 THR HA H 13.350 -2.915 -5.812 1.00 . A A . 34 THR HA 1 1 2 1102 1 1 34 THR HB H 15.223 -3.480 -7.521 1.00 . A A . 34 THR HB 1 1 2 1103 1 1 34 THR HG1 H 14.605 -5.056 -9.021 1.00 . A A . 34 THR HG1 1 1 2 1104 1 1 34 THR HG21 H 13.525 -5.706 -6.301 1.00 . A A . 34 THR HG21 1 1 2 1105 1 1 34 THR HG22 H 15.227 -5.854 -6.801 1.00 . A A . 34 THR HG22 1 1 2 1106 1 1 34 THR HG23 H 14.786 -4.776 -5.456 1.00 . A A . 34 THR HG23 1 1 2 1107 1 1 34 THR N N 11.896 -3.651 -7.106 1.00 . A A . 34 THR N 1 1 2 1108 1 1 34 THR O O 13.875 -1.586 -8.649 1.00 . A A . 34 THR O 1 1 2 1109 1 1 34 THR OG1 O 13.881 -4.538 -8.662 1.00 . A A . 34 THR OG1 1 1 2 1110 1 1 35 LEU C C 11.775 0.787 -8.692 1.00 . A A . 35 LEU C 1 1 2 1111 1 1 35 LEU CA C 12.649 0.697 -7.444 1.00 . A A . 35 LEU CA 1 1 2 1112 1 1 35 LEU CB C 14.076 1.218 -7.718 1.00 . A A . 35 LEU CB 1 1 2 1113 1 1 35 LEU CD1 C 14.816 0.873 -5.338 1.00 . A A . 35 LEU CD1 1 1 2 1114 1 1 35 LEU CD2 C 16.001 2.521 -6.794 1.00 . A A . 35 LEU CD2 1 1 2 1115 1 1 35 LEU CG C 14.642 1.899 -6.462 1.00 . A A . 35 LEU CG 1 1 2 1116 1 1 35 LEU H H 12.191 -0.863 -6.081 1.00 . A A . 35 LEU H 1 1 2 1117 1 1 35 LEU HA H 12.201 1.324 -6.674 1.00 . A A . 35 LEU HA 1 1 2 1118 1 1 35 LEU HB2 H 14.727 0.399 -8.005 1.00 . A A . 35 LEU HB2 1 1 2 1119 1 1 35 LEU HB3 H 14.040 1.946 -8.530 1.00 . A A . 35 LEU HB3 1 1 2 1120 1 1 35 LEU HD11 H 15.372 0.011 -5.711 1.00 . A A . 35 LEU HD11 1 1 2 1121 1 1 35 LEU HD12 H 15.364 1.327 -4.513 1.00 . A A . 35 LEU HD12 1 1 2 1122 1 1 35 LEU HD13 H 13.837 0.548 -4.984 1.00 . A A . 35 LEU HD13 1 1 2 1123 1 1 35 LEU HD21 H 15.880 3.251 -7.595 1.00 . A A . 35 LEU HD21 1 1 2 1124 1 1 35 LEU HD22 H 16.399 3.017 -5.910 1.00 . A A . 35 LEU HD22 1 1 2 1125 1 1 35 LEU HD23 H 16.690 1.741 -7.115 1.00 . A A . 35 LEU HD23 1 1 2 1126 1 1 35 LEU HG H 13.959 2.683 -6.135 1.00 . A A . 35 LEU HG 1 1 2 1127 1 1 35 LEU N N 12.671 -0.678 -6.948 1.00 . A A . 35 LEU N 1 1 2 1128 1 1 35 LEU O O 11.834 -0.070 -9.571 1.00 . A A . 35 LEU O 1 1 2 1129 1 1 36 LYS C C 9.898 3.546 -10.115 1.00 . A A . 36 LYS C 1 1 2 1130 1 1 36 LYS CA C 10.062 2.047 -9.880 1.00 . A A . 36 LYS CA 1 1 2 1131 1 1 36 LYS CB C 8.708 1.382 -9.575 1.00 . A A . 36 LYS CB 1 1 2 1132 1 1 36 LYS CD C 7.641 1.961 -11.785 1.00 . A A . 36 LYS CD 1 1 2 1133 1 1 36 LYS CE C 6.479 1.502 -12.671 1.00 . A A . 36 LYS CE 1 1 2 1134 1 1 36 LYS CG C 8.078 0.820 -10.858 1.00 . A A . 36 LYS CG 1 1 2 1135 1 1 36 LYS H H 10.947 2.515 -8.012 1.00 . A A . 36 LYS H 1 1 2 1136 1 1 36 LYS HA H 10.497 1.587 -10.765 1.00 . A A . 36 LYS HA 1 1 2 1137 1 1 36 LYS HB2 H 8.861 0.564 -8.870 1.00 . A A . 36 LYS HB2 1 1 2 1138 1 1 36 LYS HB3 H 8.034 2.114 -9.130 1.00 . A A . 36 LYS HB3 1 1 2 1139 1 1 36 LYS HD2 H 7.324 2.815 -11.190 1.00 . A A . 36 LYS HD2 1 1 2 1140 1 1 36 LYS HD3 H 8.480 2.252 -12.418 1.00 . A A . 36 LYS HD3 1 1 2 1141 1 1 36 LYS HE2 H 6.362 2.205 -13.498 1.00 . A A . 36 LYS HE2 1 1 2 1142 1 1 36 LYS HE3 H 6.701 0.512 -13.074 1.00 . A A . 36 LYS HE3 1 1 2 1143 1 1 36 LYS HG2 H 8.804 0.191 -11.375 1.00 . A A . 36 LYS HG2 1 1 2 1144 1 1 36 LYS HG3 H 7.210 0.217 -10.591 1.00 . A A . 36 LYS HG3 1 1 2 1145 1 1 36 LYS HZ1 H 5.009 2.364 -11.528 1.00 . A A . 36 LYS HZ1 1 1 2 1146 1 1 36 LYS HZ2 H 4.466 1.159 -12.520 1.00 . A A . 36 LYS HZ2 1 1 2 1147 1 1 36 LYS HZ3 H 5.306 0.783 -11.154 1.00 . A A . 36 LYS HZ3 1 1 2 1148 1 1 36 LYS N N 10.955 1.838 -8.760 1.00 . A A . 36 LYS N 1 1 2 1149 1 1 36 LYS NZ N 5.217 1.445 -11.909 1.00 . A A . 36 LYS NZ 1 1 2 1150 1 1 36 LYS O O 9.623 4.295 -9.174 1.00 . A A . 36 LYS O 1 1 2 1151 1 1 37 PHE C C 8.443 5.740 -11.897 1.00 . A A . 37 PHE C 1 1 2 1152 1 1 37 PHE CA C 9.929 5.390 -11.736 1.00 . A A . 37 PHE CA 1 1 2 1153 1 1 37 PHE CB C 10.720 5.658 -13.032 1.00 . A A . 37 PHE CB 1 1 2 1154 1 1 37 PHE CD1 C 11.419 3.468 -14.107 1.00 . A A . 37 PHE CD1 1 1 2 1155 1 1 37 PHE CD2 C 9.542 4.691 -15.066 1.00 . A A . 37 PHE CD2 1 1 2 1156 1 1 37 PHE CE1 C 11.267 2.470 -15.084 1.00 . A A . 37 PHE CE1 1 1 2 1157 1 1 37 PHE CE2 C 9.392 3.692 -16.043 1.00 . A A . 37 PHE CE2 1 1 2 1158 1 1 37 PHE CG C 10.553 4.580 -14.092 1.00 . A A . 37 PHE CG 1 1 2 1159 1 1 37 PHE CZ C 10.255 2.581 -16.051 1.00 . A A . 37 PHE CZ 1 1 2 1160 1 1 37 PHE H H 10.294 3.323 -12.095 1.00 . A A . 37 PHE H 1 1 2 1161 1 1 37 PHE HA H 10.348 6.007 -10.939 1.00 . A A . 37 PHE HA 1 1 2 1162 1 1 37 PHE HB2 H 10.400 6.614 -13.448 1.00 . A A . 37 PHE HB2 1 1 2 1163 1 1 37 PHE HB3 H 11.778 5.730 -12.779 1.00 . A A . 37 PHE HB3 1 1 2 1164 1 1 37 PHE HD1 H 12.200 3.381 -13.365 1.00 . A A . 37 PHE HD1 1 1 2 1165 1 1 37 PHE HD2 H 8.880 5.544 -15.065 1.00 . A A . 37 PHE HD2 1 1 2 1166 1 1 37 PHE HE1 H 11.931 1.618 -15.093 1.00 . A A . 37 PHE HE1 1 1 2 1167 1 1 37 PHE HE2 H 8.616 3.777 -16.789 1.00 . A A . 37 PHE HE2 1 1 2 1168 1 1 37 PHE HZ H 10.139 1.815 -16.803 1.00 . A A . 37 PHE HZ 1 1 2 1169 1 1 37 PHE N N 10.067 3.983 -11.368 1.00 . A A . 37 PHE N 1 1 2 1170 1 1 37 PHE O O 8.032 6.284 -12.918 1.00 . A A . 37 PHE O 1 1 2 1171 1 1 38 GLY C C 5.497 4.553 -10.136 1.00 . A A . 38 GLY C 1 1 2 1172 1 1 38 GLY CA C 6.212 5.670 -10.887 1.00 . A A . 38 GLY CA 1 1 2 1173 1 1 38 GLY H H 8.036 4.979 -10.055 1.00 . A A . 38 GLY H 1 1 2 1174 1 1 38 GLY HA2 H 6.006 6.624 -10.401 1.00 . A A . 38 GLY HA2 1 1 2 1175 1 1 38 GLY HA3 H 5.853 5.702 -11.917 1.00 . A A . 38 GLY HA3 1 1 2 1176 1 1 38 GLY N N 7.642 5.418 -10.875 1.00 . A A . 38 GLY N 1 1 2 1177 1 1 38 GLY O O 6.031 4.181 -9.066 1.00 . A A . 38 GLY O 1 1 2 1178 1 1 38 GLY OXT O 4.683 3.874 -10.800 1.00 . A A . 38 GLY OXT 1 1 3 1179 1 1 1 MET C C -8.615 -3.601 6.623 1.00 . A A . 1 MET C 1 1 3 1180 1 1 1 MET CA C -7.160 -3.358 7.021 1.00 . A A . 1 MET CA 1 1 3 1181 1 1 1 MET CB C -6.275 -4.570 6.689 1.00 . A A . 1 MET CB 1 1 3 1182 1 1 1 MET CE C -2.089 -4.658 6.667 1.00 . A A . 1 MET CE 1 1 3 1183 1 1 1 MET CG C -4.798 -4.198 6.853 1.00 . A A . 1 MET CG 1 1 3 1184 1 1 1 MET H1 H -7.488 -3.810 8.997 1.00 . A A . 1 MET H1 1 1 3 1185 1 1 1 MET H2 H -6.136 -2.899 8.736 1.00 . A A . 1 MET H2 1 1 3 1186 1 1 1 MET H3 H -7.628 -2.201 8.647 1.00 . A A . 1 MET H3 1 1 3 1187 1 1 1 MET HA H -6.794 -2.498 6.463 1.00 . A A . 1 MET HA 1 1 3 1188 1 1 1 MET HB2 H -6.518 -5.395 7.359 1.00 . A A . 1 MET HB2 1 1 3 1189 1 1 1 MET HB3 H -6.451 -4.877 5.656 1.00 . A A . 1 MET HB3 1 1 3 1190 1 1 1 MET HE1 H -2.028 -4.368 7.717 1.00 . A A . 1 MET HE1 1 1 3 1191 1 1 1 MET HE2 H -1.260 -5.323 6.426 1.00 . A A . 1 MET HE2 1 1 3 1192 1 1 1 MET HE3 H -2.036 -3.768 6.041 1.00 . A A . 1 MET HE3 1 1 3 1193 1 1 1 MET HG2 H -4.589 -3.319 6.244 1.00 . A A . 1 MET HG2 1 1 3 1194 1 1 1 MET HG3 H -4.613 -3.950 7.898 1.00 . A A . 1 MET HG3 1 1 3 1195 1 1 1 MET N N -7.095 -3.044 8.462 1.00 . A A . 1 MET N 1 1 3 1196 1 1 1 MET O O -9.407 -2.662 6.607 1.00 . A A . 1 MET O 1 1 3 1197 1 1 1 MET SD S -3.655 -5.514 6.367 1.00 . A A . 1 MET SD 1 1 3 1198 1 1 2 SER C C -11.233 -4.835 7.177 1.00 . A A . 2 SER C 1 1 3 1199 1 1 2 SER CA C -10.349 -5.206 5.990 1.00 . A A . 2 SER CA 1 1 3 1200 1 1 2 SER CB C -10.436 -6.702 5.683 1.00 . A A . 2 SER CB 1 1 3 1201 1 1 2 SER H H -8.286 -5.596 6.325 1.00 . A A . 2 SER H 1 1 3 1202 1 1 2 SER HA H -10.669 -4.640 5.114 1.00 . A A . 2 SER HA 1 1 3 1203 1 1 2 SER HB2 H -11.481 -7.013 5.672 1.00 . A A . 2 SER HB2 1 1 3 1204 1 1 2 SER HB3 H -9.990 -6.899 4.708 1.00 . A A . 2 SER HB3 1 1 3 1205 1 1 2 SER HG H -9.822 -8.368 6.481 1.00 . A A . 2 SER HG 1 1 3 1206 1 1 2 SER N N -8.974 -4.859 6.316 1.00 . A A . 2 SER N 1 1 3 1207 1 1 2 SER O O -12.343 -4.336 7.004 1.00 . A A . 2 SER O 1 1 3 1208 1 1 2 SER OG O -9.737 -7.431 6.674 1.00 . A A . 2 SER OG 1 1 3 1209 1 1 3 ASP C C -10.311 -4.087 10.541 1.00 . A A . 3 ASP C 1 1 3 1210 1 1 3 ASP CA C -11.358 -4.717 9.623 1.00 . A A . 3 ASP CA 1 1 3 1211 1 1 3 ASP CB C -11.973 -5.971 10.257 1.00 . A A . 3 ASP CB 1 1 3 1212 1 1 3 ASP CG C -12.707 -5.635 11.552 1.00 . A A . 3 ASP CG 1 1 3 1213 1 1 3 ASP H H -9.794 -5.507 8.441 1.00 . A A . 3 ASP H 1 1 3 1214 1 1 3 ASP HA H -12.145 -3.989 9.424 1.00 . A A . 3 ASP HA 1 1 3 1215 1 1 3 ASP HB2 H -12.678 -6.416 9.555 1.00 . A A . 3 ASP HB2 1 1 3 1216 1 1 3 ASP HB3 H -11.180 -6.690 10.471 1.00 . A A . 3 ASP HB3 1 1 3 1217 1 1 3 ASP N N -10.703 -5.072 8.382 1.00 . A A . 3 ASP N 1 1 3 1218 1 1 3 ASP O O -9.112 -4.285 10.329 1.00 . A A . 3 ASP O 1 1 3 1219 1 1 3 ASP OD1 O -13.279 -4.523 11.614 1.00 . A A . 3 ASP OD1 1 1 3 1220 1 1 3 ASP OD2 O -12.680 -6.497 12.457 1.00 . A A . 3 ASP OD2 1 1 3 1221 1 1 4 ASP C C -8.896 -1.739 11.789 1.00 . A A . 4 ASP C 1 1 3 1222 1 1 4 ASP CA C -9.900 -2.649 12.506 1.00 . A A . 4 ASP CA 1 1 3 1223 1 1 4 ASP CB C -9.171 -3.675 13.383 1.00 . A A . 4 ASP CB 1 1 3 1224 1 1 4 ASP CG C -8.258 -2.970 14.381 1.00 . A A . 4 ASP CG 1 1 3 1225 1 1 4 ASP H H -11.773 -3.221 11.659 1.00 . A A . 4 ASP H 1 1 3 1226 1 1 4 ASP HA H -10.524 -2.030 13.151 1.00 . A A . 4 ASP HA 1 1 3 1227 1 1 4 ASP HB2 H -9.906 -4.268 13.927 1.00 . A A . 4 ASP HB2 1 1 3 1228 1 1 4 ASP HB3 H -8.574 -4.333 12.754 1.00 . A A . 4 ASP HB3 1 1 3 1229 1 1 4 ASP N N -10.771 -3.330 11.548 1.00 . A A . 4 ASP N 1 1 3 1230 1 1 4 ASP O O -7.850 -2.199 11.333 1.00 . A A . 4 ASP O 1 1 3 1231 1 1 4 ASP OD1 O -8.768 -2.066 15.082 1.00 . A A . 4 ASP OD1 1 1 3 1232 1 1 4 ASP OD2 O -7.062 -3.336 14.426 1.00 . A A . 4 ASP OD2 1 1 3 1233 1 1 5 LYS C C -8.302 0.375 9.568 1.00 . A A . 5 LYS C 1 1 3 1234 1 1 5 LYS CA C -8.360 0.577 11.096 1.00 . A A . 5 LYS CA 1 1 3 1235 1 1 5 LYS CB C -6.944 0.521 11.713 1.00 . A A . 5 LYS CB 1 1 3 1236 1 1 5 LYS CD C -5.625 0.311 13.832 1.00 . A A . 5 LYS CD 1 1 3 1237 1 1 5 LYS CE C -5.701 0.198 15.359 1.00 . A A . 5 LYS CE 1 1 3 1238 1 1 5 LYS CG C -7.024 0.523 13.247 1.00 . A A . 5 LYS CG 1 1 3 1239 1 1 5 LYS H H -10.103 -0.129 12.100 1.00 . A A . 5 LYS H 1 1 3 1240 1 1 5 LYS HA H -8.788 1.554 11.306 1.00 . A A . 5 LYS HA 1 1 3 1241 1 1 5 LYS HB2 H -6.434 -0.380 11.379 1.00 . A A . 5 LYS HB2 1 1 3 1242 1 1 5 LYS HB3 H -6.375 1.388 11.388 1.00 . A A . 5 LYS HB3 1 1 3 1243 1 1 5 LYS HD2 H -5.196 -0.605 13.422 1.00 . A A . 5 LYS HD2 1 1 3 1244 1 1 5 LYS HD3 H -4.989 1.157 13.563 1.00 . A A . 5 LYS HD3 1 1 3 1245 1 1 5 LYS HE2 H -4.689 0.191 15.765 1.00 . A A . 5 LYS HE2 1 1 3 1246 1 1 5 LYS HE3 H -6.239 1.059 15.757 1.00 . A A . 5 LYS HE3 1 1 3 1247 1 1 5 LYS HG2 H -7.421 1.480 13.588 1.00 . A A . 5 LYS HG2 1 1 3 1248 1 1 5 LYS HG3 H -7.678 -0.277 13.582 1.00 . A A . 5 LYS HG3 1 1 3 1249 1 1 5 LYS HZ1 H -5.990 -1.836 15.293 1.00 . A A . 5 LYS HZ1 1 1 3 1250 1 1 5 LYS HZ2 H -6.293 -1.164 16.771 1.00 . A A . 5 LYS HZ2 1 1 3 1251 1 1 5 LYS HZ3 H -7.379 -0.977 15.542 1.00 . A A . 5 LYS HZ3 1 1 3 1252 1 1 5 LYS N N -9.224 -0.436 11.712 1.00 . A A . 5 LYS N 1 1 3 1253 1 1 5 LYS NZ N -6.393 -1.039 15.775 1.00 . A A . 5 LYS NZ 1 1 3 1254 1 1 5 LYS O O -8.488 -0.742 9.086 1.00 . A A . 5 LYS O 1 1 3 1255 1 1 6 PRO C C -6.734 0.533 6.923 1.00 . A A . 6 PRO C 1 1 3 1256 1 1 6 PRO CA C -7.945 1.378 7.350 1.00 . A A . 6 PRO CA 1 1 3 1257 1 1 6 PRO CB C -7.813 2.825 6.862 1.00 . A A . 6 PRO CB 1 1 3 1258 1 1 6 PRO CD C -7.850 2.795 9.321 1.00 . A A . 6 PRO CD 1 1 3 1259 1 1 6 PRO CG C -7.683 3.709 8.109 1.00 . A A . 6 PRO CG 1 1 3 1260 1 1 6 PRO HA H -8.857 0.938 6.943 1.00 . A A . 6 PRO HA 1 1 3 1261 1 1 6 PRO HB2 H -6.929 2.933 6.237 1.00 . A A . 6 PRO HB2 1 1 3 1262 1 1 6 PRO HB3 H -8.703 3.109 6.298 1.00 . A A . 6 PRO HB3 1 1 3 1263 1 1 6 PRO HD2 H -6.955 2.833 9.940 1.00 . A A . 6 PRO HD2 1 1 3 1264 1 1 6 PRO HD3 H -8.721 3.105 9.898 1.00 . A A . 6 PRO HD3 1 1 3 1265 1 1 6 PRO HG2 H -6.701 4.179 8.131 1.00 . A A . 6 PRO HG2 1 1 3 1266 1 1 6 PRO HG3 H -8.461 4.473 8.107 1.00 . A A . 6 PRO HG3 1 1 3 1267 1 1 6 PRO N N -8.044 1.456 8.797 1.00 . A A . 6 PRO N 1 1 3 1268 1 1 6 PRO O O -6.092 -0.114 7.754 1.00 . A A . 6 PRO O 1 1 3 1269 1 1 7 PHE C C -4.033 0.577 5.142 1.00 . A A . 7 PHE C 1 1 3 1270 1 1 7 PHE CA C -5.324 -0.234 5.077 1.00 . A A . 7 PHE CA 1 1 3 1271 1 1 7 PHE CB C -5.643 -0.625 3.631 1.00 . A A . 7 PHE CB 1 1 3 1272 1 1 7 PHE CD1 C -8.151 -0.753 3.320 1.00 . A A . 7 PHE CD1 1 1 3 1273 1 1 7 PHE CD2 C -6.888 -2.825 3.517 1.00 . A A . 7 PHE CD2 1 1 3 1274 1 1 7 PHE CE1 C -9.338 -1.490 3.181 1.00 . A A . 7 PHE CE1 1 1 3 1275 1 1 7 PHE CE2 C -8.077 -3.561 3.377 1.00 . A A . 7 PHE CE2 1 1 3 1276 1 1 7 PHE CG C -6.924 -1.419 3.487 1.00 . A A . 7 PHE CG 1 1 3 1277 1 1 7 PHE CZ C -9.301 -2.893 3.207 1.00 . A A . 7 PHE CZ 1 1 3 1278 1 1 7 PHE H H -6.978 1.096 4.979 1.00 . A A . 7 PHE H 1 1 3 1279 1 1 7 PHE HA H -5.201 -1.142 5.665 1.00 . A A . 7 PHE HA 1 1 3 1280 1 1 7 PHE HB2 H -5.725 0.281 3.031 1.00 . A A . 7 PHE HB2 1 1 3 1281 1 1 7 PHE HB3 H -4.818 -1.225 3.243 1.00 . A A . 7 PHE HB3 1 1 3 1282 1 1 7 PHE HD1 H -8.180 0.326 3.298 1.00 . A A . 7 PHE HD1 1 1 3 1283 1 1 7 PHE HD2 H -5.947 -3.341 3.642 1.00 . A A . 7 PHE HD2 1 1 3 1284 1 1 7 PHE HE1 H -10.280 -0.977 3.051 1.00 . A A . 7 PHE HE1 1 1 3 1285 1 1 7 PHE HE2 H -8.048 -4.641 3.397 1.00 . A A . 7 PHE HE2 1 1 3 1286 1 1 7 PHE HZ H -10.213 -3.458 3.095 1.00 . A A . 7 PHE HZ 1 1 3 1287 1 1 7 PHE N N -6.429 0.540 5.619 1.00 . A A . 7 PHE N 1 1 3 1288 1 1 7 PHE O O -3.868 1.539 4.394 1.00 . A A . 7 PHE O 1 1 3 1289 1 1 8 LEU C C -0.790 0.063 5.358 1.00 . A A . 8 LEU C 1 1 3 1290 1 1 8 LEU CA C -1.825 0.833 6.187 1.00 . A A . 8 LEU CA 1 1 3 1291 1 1 8 LEU CB C -1.448 0.866 7.677 1.00 . A A . 8 LEU CB 1 1 3 1292 1 1 8 LEU CD1 C -0.709 2.310 9.580 1.00 . A A . 8 LEU CD1 1 1 3 1293 1 1 8 LEU CD2 C 0.437 2.510 7.371 1.00 . A A . 8 LEU CD2 1 1 3 1294 1 1 8 LEU CG C -0.905 2.251 8.064 1.00 . A A . 8 LEU CG 1 1 3 1295 1 1 8 LEU H H -3.319 -0.615 6.629 1.00 . A A . 8 LEU H 1 1 3 1296 1 1 8 LEU HA H -1.897 1.856 5.814 1.00 . A A . 8 LEU HA 1 1 3 1297 1 1 8 LEU HB2 H -2.335 0.654 8.276 1.00 . A A . 8 LEU HB2 1 1 3 1298 1 1 8 LEU HB3 H -0.693 0.109 7.880 1.00 . A A . 8 LEU HB3 1 1 3 1299 1 1 8 LEU HD11 H -1.663 2.134 10.078 1.00 . A A . 8 LEU HD11 1 1 3 1300 1 1 8 LEU HD12 H 0.007 1.547 9.886 1.00 . A A . 8 LEU HD12 1 1 3 1301 1 1 8 LEU HD13 H -0.331 3.295 9.860 1.00 . A A . 8 LEU HD13 1 1 3 1302 1 1 8 LEU HD21 H 1.117 1.682 7.569 1.00 . A A . 8 LEU HD21 1 1 3 1303 1 1 8 LEU HD22 H 0.282 2.604 6.299 1.00 . A A . 8 LEU HD22 1 1 3 1304 1 1 8 LEU HD23 H 0.871 3.434 7.753 1.00 . A A . 8 LEU HD23 1 1 3 1305 1 1 8 LEU HG H -1.620 3.018 7.765 1.00 . A A . 8 LEU HG 1 1 3 1306 1 1 8 LEU N N -3.118 0.176 6.036 1.00 . A A . 8 LEU N 1 1 3 1307 1 1 8 LEU O O -0.659 -1.150 5.502 1.00 . A A . 8 LEU O 1 1 3 1308 1 1 9 CYS C C 2.051 -0.513 4.322 1.00 . A A . 9 CYS C 1 1 3 1309 1 1 9 CYS CA C 0.893 0.143 3.569 1.00 . A A . 9 CYS CA 1 1 3 1310 1 1 9 CYS CB C 1.430 1.194 2.602 1.00 . A A . 9 CYS CB 1 1 3 1311 1 1 9 CYS H H -0.207 1.771 4.411 1.00 . A A . 9 CYS H 1 1 3 1312 1 1 9 CYS HA H 0.379 -0.626 2.991 1.00 . A A . 9 CYS HA 1 1 3 1313 1 1 9 CYS HB2 H 0.616 1.584 1.993 1.00 . A A . 9 CYS HB2 1 1 3 1314 1 1 9 CYS HB3 H 1.889 2.007 3.163 1.00 . A A . 9 CYS HB3 1 1 3 1315 1 1 9 CYS N N -0.073 0.769 4.474 1.00 . A A . 9 CYS N 1 1 3 1316 1 1 9 CYS O O 2.531 -1.566 3.897 1.00 . A A . 9 CYS O 1 1 3 1317 1 1 9 CYS SG S 2.671 0.418 1.536 1.00 . A A . 9 CYS SG 1 1 3 1318 1 1 10 THR C C 4.771 -0.837 5.262 1.00 . A A . 10 THR C 1 1 3 1319 1 1 10 THR CA C 3.644 -0.389 6.201 1.00 . A A . 10 THR CA 1 1 3 1320 1 1 10 THR CB C 3.198 -1.541 7.123 1.00 . A A . 10 THR CB 1 1 3 1321 1 1 10 THR CG2 C 2.202 -1.021 8.157 1.00 . A A . 10 THR CG2 1 1 3 1322 1 1 10 THR H H 2.066 0.966 5.724 1.00 . A A . 10 THR H 1 1 3 1323 1 1 10 THR HA H 4.018 0.423 6.823 1.00 . A A . 10 THR HA 1 1 3 1324 1 1 10 THR HB H 4.070 -1.946 7.639 1.00 . A A . 10 THR HB 1 1 3 1325 1 1 10 THR HG1 H 3.153 -2.763 5.614 1.00 . A A . 10 THR HG1 1 1 3 1326 1 1 10 THR HG21 H 2.643 -0.184 8.700 1.00 . A A . 10 THR HG21 1 1 3 1327 1 1 10 THR HG22 H 1.297 -0.692 7.655 1.00 . A A . 10 THR HG22 1 1 3 1328 1 1 10 THR HG23 H 1.958 -1.819 8.859 1.00 . A A . 10 THR HG23 1 1 3 1329 1 1 10 THR N N 2.509 0.112 5.419 1.00 . A A . 10 THR N 1 1 3 1330 1 1 10 THR O O 5.071 -2.028 5.168 1.00 . A A . 10 THR O 1 1 3 1331 1 1 10 THR OG1 O 2.589 -2.566 6.368 1.00 . A A . 10 THR OG1 1 1 3 1332 1 1 11 ALA C C 7.812 0.166 4.365 1.00 . A A . 11 ALA C 1 1 3 1333 1 1 11 ALA CA C 6.488 -0.146 3.652 1.00 . A A . 11 ALA CA 1 1 3 1334 1 1 11 ALA CB C 6.312 0.703 2.388 1.00 . A A . 11 ALA CB 1 1 3 1335 1 1 11 ALA H H 5.097 1.090 4.685 1.00 . A A . 11 ALA H 1 1 3 1336 1 1 11 ALA HA H 6.471 -1.198 3.374 1.00 . A A . 11 ALA HA 1 1 3 1337 1 1 11 ALA HB1 H 5.342 1.197 2.409 1.00 . A A . 11 ALA HB1 1 1 3 1338 1 1 11 ALA HB2 H 7.098 1.455 2.337 1.00 . A A . 11 ALA HB2 1 1 3 1339 1 1 11 ALA HB3 H 6.367 0.061 1.510 1.00 . A A . 11 ALA HB3 1 1 3 1340 1 1 11 ALA N N 5.389 0.128 4.570 1.00 . A A . 11 ALA N 1 1 3 1341 1 1 11 ALA O O 7.796 0.695 5.475 1.00 . A A . 11 ALA O 1 1 3 1342 1 1 12 PRO C C 10.438 1.555 4.699 1.00 . A A . 12 PRO C 1 1 3 1343 1 1 12 PRO CA C 10.262 0.078 4.337 1.00 . A A . 12 PRO CA 1 1 3 1344 1 1 12 PRO CB C 11.292 -0.382 3.298 1.00 . A A . 12 PRO CB 1 1 3 1345 1 1 12 PRO CD C 9.024 -0.783 2.433 1.00 . A A . 12 PRO CD 1 1 3 1346 1 1 12 PRO CG C 10.506 -1.016 2.143 1.00 . A A . 12 PRO CG 1 1 3 1347 1 1 12 PRO HA H 10.361 -0.528 5.236 1.00 . A A . 12 PRO HA 1 1 3 1348 1 1 12 PRO HB2 H 11.866 0.471 2.934 1.00 . A A . 12 PRO HB2 1 1 3 1349 1 1 12 PRO HB3 H 11.965 -1.119 3.741 1.00 . A A . 12 PRO HB3 1 1 3 1350 1 1 12 PRO HD2 H 8.603 -0.121 1.680 1.00 . A A . 12 PRO HD2 1 1 3 1351 1 1 12 PRO HD3 H 8.490 -1.734 2.440 1.00 . A A . 12 PRO HD3 1 1 3 1352 1 1 12 PRO HG2 H 10.782 -0.544 1.199 1.00 . A A . 12 PRO HG2 1 1 3 1353 1 1 12 PRO HG3 H 10.712 -2.087 2.096 1.00 . A A . 12 PRO HG3 1 1 3 1354 1 1 12 PRO N N 8.963 -0.161 3.740 1.00 . A A . 12 PRO N 1 1 3 1355 1 1 12 PRO O O 10.735 1.876 5.847 1.00 . A A . 12 PRO O 1 1 3 1356 1 1 13 GLY C C 9.037 4.581 3.828 1.00 . A A . 13 GLY C 1 1 3 1357 1 1 13 GLY CA C 10.394 3.883 3.926 1.00 . A A . 13 GLY CA 1 1 3 1358 1 1 13 GLY H H 10.011 2.121 2.792 1.00 . A A . 13 GLY H 1 1 3 1359 1 1 13 GLY HA2 H 10.823 4.071 4.911 1.00 . A A . 13 GLY HA2 1 1 3 1360 1 1 13 GLY HA3 H 11.059 4.291 3.164 1.00 . A A . 13 GLY HA3 1 1 3 1361 1 1 13 GLY N N 10.254 2.446 3.715 1.00 . A A . 13 GLY N 1 1 3 1362 1 1 13 GLY O O 8.816 5.602 4.473 1.00 . A A . 13 GLY O 1 1 3 1363 1 1 14 CYS C C 5.801 3.998 3.778 1.00 . A A . 14 CYS C 1 1 3 1364 1 1 14 CYS CA C 6.807 4.616 2.806 1.00 . A A . 14 CYS CA 1 1 3 1365 1 1 14 CYS CB C 6.377 4.374 1.359 1.00 . A A . 14 CYS CB 1 1 3 1366 1 1 14 CYS H H 8.359 3.182 2.515 1.00 . A A . 14 CYS H 1 1 3 1367 1 1 14 CYS HA H 6.861 5.691 2.983 1.00 . A A . 14 CYS HA 1 1 3 1368 1 1 14 CYS HB2 H 7.208 4.596 0.688 1.00 . A A . 14 CYS HB2 1 1 3 1369 1 1 14 CYS HB3 H 6.078 3.333 1.238 1.00 . A A . 14 CYS HB3 1 1 3 1370 1 1 14 CYS N N 8.130 4.030 3.011 1.00 . A A . 14 CYS N 1 1 3 1371 1 1 14 CYS O O 5.991 2.876 4.234 1.00 . A A . 14 CYS O 1 1 3 1372 1 1 14 CYS SG S 4.984 5.459 0.970 1.00 . A A . 14 CYS SG 1 1 3 1373 1 1 15 GLY C C 2.383 4.970 4.775 1.00 . A A . 15 GLY C 1 1 3 1374 1 1 15 GLY CA C 3.697 4.229 4.996 1.00 . A A . 15 GLY CA 1 1 3 1375 1 1 15 GLY H H 4.607 5.652 3.703 1.00 . A A . 15 GLY H 1 1 3 1376 1 1 15 GLY HA2 H 3.542 3.165 4.816 1.00 . A A . 15 GLY HA2 1 1 3 1377 1 1 15 GLY HA3 H 4.024 4.374 6.027 1.00 . A A . 15 GLY HA3 1 1 3 1378 1 1 15 GLY N N 4.723 4.729 4.094 1.00 . A A . 15 GLY N 1 1 3 1379 1 1 15 GLY O O 1.801 5.492 5.722 1.00 . A A . 15 GLY O 1 1 3 1380 1 1 16 GLN C C -0.522 4.801 3.589 1.00 . A A . 16 GLN C 1 1 3 1381 1 1 16 GLN CA C 0.661 5.684 3.194 1.00 . A A . 16 GLN CA 1 1 3 1382 1 1 16 GLN CB C 0.623 6.006 1.698 1.00 . A A . 16 GLN CB 1 1 3 1383 1 1 16 GLN CD C 1.617 7.477 -0.099 1.00 . A A . 16 GLN CD 1 1 3 1384 1 1 16 GLN CG C 1.582 7.163 1.395 1.00 . A A . 16 GLN CG 1 1 3 1385 1 1 16 GLN H H 2.426 4.572 2.774 1.00 . A A . 16 GLN H 1 1 3 1386 1 1 16 GLN HA H 0.603 6.619 3.756 1.00 . A A . 16 GLN HA 1 1 3 1387 1 1 16 GLN HB2 H 0.920 5.126 1.129 1.00 . A A . 16 GLN HB2 1 1 3 1388 1 1 16 GLN HB3 H -0.390 6.295 1.414 1.00 . A A . 16 GLN HB3 1 1 3 1389 1 1 16 GLN HE21 H 3.156 8.781 0.168 1.00 . A A . 16 GLN HE21 1 1 3 1390 1 1 16 GLN HE22 H 2.608 8.589 -1.482 1.00 . A A . 16 GLN HE22 1 1 3 1391 1 1 16 GLN HG2 H 1.253 8.050 1.937 1.00 . A A . 16 GLN HG2 1 1 3 1392 1 1 16 GLN HG3 H 2.583 6.894 1.726 1.00 . A A . 16 GLN HG3 1 1 3 1393 1 1 16 GLN N N 1.911 5.014 3.520 1.00 . A A . 16 GLN N 1 1 3 1394 1 1 16 GLN NE2 N 2.536 8.353 -0.503 1.00 . A A . 16 GLN NE2 1 1 3 1395 1 1 16 GLN O O -0.350 3.613 3.883 1.00 . A A . 16 GLN O 1 1 3 1396 1 1 16 GLN OE1 O 0.832 6.937 -0.871 1.00 . A A . 16 GLN OE1 1 1 3 1397 1 1 17 ARG C C -3.987 4.939 2.883 1.00 . A A . 17 ARG C 1 1 3 1398 1 1 17 ARG CA C -2.947 4.711 3.967 1.00 . A A . 17 ARG CA 1 1 3 1399 1 1 17 ARG CB C -3.430 5.256 5.319 1.00 . A A . 17 ARG CB 1 1 3 1400 1 1 17 ARG CD C -5.931 5.584 5.357 1.00 . A A . 17 ARG CD 1 1 3 1401 1 1 17 ARG CG C -4.779 4.631 5.712 1.00 . A A . 17 ARG CG 1 1 3 1402 1 1 17 ARG CZ C -6.877 7.718 6.171 1.00 . A A . 17 ARG CZ 1 1 3 1403 1 1 17 ARG H H -1.786 6.368 3.327 1.00 . A A . 17 ARG H 1 1 3 1404 1 1 17 ARG HA H -2.755 3.644 4.060 1.00 . A A . 17 ARG HA 1 1 3 1405 1 1 17 ARG HB2 H -2.691 5.018 6.081 1.00 . A A . 17 ARG HB2 1 1 3 1406 1 1 17 ARG HB3 H -3.537 6.338 5.249 1.00 . A A . 17 ARG HB3 1 1 3 1407 1 1 17 ARG HD2 H -5.813 5.929 4.332 1.00 . A A . 17 ARG HD2 1 1 3 1408 1 1 17 ARG HD3 H -6.875 5.048 5.444 1.00 . A A . 17 ARG HD3 1 1 3 1409 1 1 17 ARG HE H -5.236 6.802 6.966 1.00 . A A . 17 ARG HE 1 1 3 1410 1 1 17 ARG HG2 H -4.914 3.686 5.189 1.00 . A A . 17 ARG HG2 1 1 3 1411 1 1 17 ARG HG3 H -4.787 4.446 6.787 1.00 . A A . 17 ARG HG3 1 1 3 1412 1 1 17 ARG HH11 H -7.868 6.878 4.595 1.00 . A A . 17 ARG HH11 1 1 3 1413 1 1 17 ARG HH12 H -8.533 8.385 5.179 1.00 . A A . 17 ARG HH12 1 1 3 1414 1 1 17 ARG HH21 H -6.112 8.801 7.724 1.00 . A A . 17 ARG HH21 1 1 3 1415 1 1 17 ARG HH22 H -7.530 9.484 6.961 1.00 . A A . 17 ARG HH22 1 1 3 1416 1 1 17 ARG N N -1.719 5.396 3.594 1.00 . A A . 17 ARG N 1 1 3 1417 1 1 17 ARG NE N -5.954 6.745 6.256 1.00 . A A . 17 ARG NE 1 1 3 1418 1 1 17 ARG NH1 N -7.838 7.656 5.239 1.00 . A A . 17 ARG NH1 1 1 3 1419 1 1 17 ARG NH2 N -6.836 8.752 7.022 1.00 . A A . 17 ARG NH2 1 1 3 1420 1 1 17 ARG O O -4.004 5.996 2.252 1.00 . A A . 17 ARG O 1 1 3 1421 1 1 18 PHE C C -7.177 3.417 2.195 1.00 . A A . 18 PHE C 1 1 3 1422 1 1 18 PHE CA C -5.892 4.026 1.656 1.00 . A A . 18 PHE CA 1 1 3 1423 1 1 18 PHE CB C -5.437 3.284 0.394 1.00 . A A . 18 PHE CB 1 1 3 1424 1 1 18 PHE CD1 C -2.917 3.163 0.522 1.00 . A A . 18 PHE CD1 1 1 3 1425 1 1 18 PHE CD2 C -3.929 4.633 -1.131 1.00 . A A . 18 PHE CD2 1 1 3 1426 1 1 18 PHE CE1 C -1.642 3.552 0.092 1.00 . A A . 18 PHE CE1 1 1 3 1427 1 1 18 PHE CE2 C -2.650 5.021 -1.564 1.00 . A A . 18 PHE CE2 1 1 3 1428 1 1 18 PHE CG C -4.062 3.701 -0.086 1.00 . A A . 18 PHE CG 1 1 3 1429 1 1 18 PHE CZ C -1.507 4.481 -0.951 1.00 . A A . 18 PHE CZ 1 1 3 1430 1 1 18 PHE H H -4.788 3.100 3.224 1.00 . A A . 18 PHE H 1 1 3 1431 1 1 18 PHE HA H -6.073 5.073 1.408 1.00 . A A . 18 PHE HA 1 1 3 1432 1 1 18 PHE HB2 H -5.422 2.214 0.606 1.00 . A A . 18 PHE HB2 1 1 3 1433 1 1 18 PHE HB3 H -6.160 3.470 -0.400 1.00 . A A . 18 PHE HB3 1 1 3 1434 1 1 18 PHE HD1 H -3.020 2.455 1.329 1.00 . A A . 18 PHE HD1 1 1 3 1435 1 1 18 PHE HD2 H -4.808 5.051 -1.599 1.00 . A A . 18 PHE HD2 1 1 3 1436 1 1 18 PHE HE1 H -0.764 3.141 0.565 1.00 . A A . 18 PHE HE1 1 1 3 1437 1 1 18 PHE HE2 H -2.545 5.738 -2.366 1.00 . A A . 18 PHE HE2 1 1 3 1438 1 1 18 PHE HZ H -0.526 4.782 -1.280 1.00 . A A . 18 PHE HZ 1 1 3 1439 1 1 18 PHE N N -4.851 3.945 2.668 1.00 . A A . 18 PHE N 1 1 3 1440 1 1 18 PHE O O -7.137 2.539 3.058 1.00 . A A . 18 PHE O 1 1 3 1441 1 1 19 THR C C -9.884 2.059 1.306 1.00 . A A . 19 THR C 1 1 3 1442 1 1 19 THR CA C -9.616 3.361 2.064 1.00 . A A . 19 THR CA 1 1 3 1443 1 1 19 THR CB C -10.689 4.412 1.751 1.00 . A A . 19 THR CB 1 1 3 1444 1 1 19 THR CG2 C -12.018 4.016 2.400 1.00 . A A . 19 THR CG2 1 1 3 1445 1 1 19 THR H H -8.284 4.614 0.981 1.00 . A A . 19 THR H 1 1 3 1446 1 1 19 THR HA H -9.616 3.159 3.136 1.00 . A A . 19 THR HA 1 1 3 1447 1 1 19 THR HB H -10.821 4.487 0.671 1.00 . A A . 19 THR HB 1 1 3 1448 1 1 19 THR HG1 H -10.950 6.317 2.042 1.00 . A A . 19 THR HG1 1 1 3 1449 1 1 19 THR HG21 H -11.871 3.867 3.470 1.00 . A A . 19 THR HG21 1 1 3 1450 1 1 19 THR HG22 H -12.751 4.807 2.241 1.00 . A A . 19 THR HG22 1 1 3 1451 1 1 19 THR HG23 H -12.382 3.091 1.952 1.00 . A A . 19 THR HG23 1 1 3 1452 1 1 19 THR N N -8.315 3.880 1.676 1.00 . A A . 19 THR N 1 1 3 1453 1 1 19 THR O O -10.643 1.214 1.772 1.00 . A A . 19 THR O 1 1 3 1454 1 1 19 THR OG1 O -10.278 5.666 2.259 1.00 . A A . 19 THR OG1 1 1 3 1455 1 1 20 ASN C C -8.084 -0.034 -0.724 1.00 . A A . 20 ASN C 1 1 3 1456 1 1 20 ASN CA C -9.395 0.728 -0.701 1.00 . A A . 20 ASN CA 1 1 3 1457 1 1 20 ASN CB C -9.775 1.153 -2.123 1.00 . A A . 20 ASN CB 1 1 3 1458 1 1 20 ASN CG C -11.285 1.150 -2.310 1.00 . A A . 20 ASN CG 1 1 3 1459 1 1 20 ASN H H -8.636 2.638 -0.194 1.00 . A A . 20 ASN H 1 1 3 1460 1 1 20 ASN HA H -10.178 0.085 -0.297 1.00 . A A . 20 ASN HA 1 1 3 1461 1 1 20 ASN HB2 H -9.387 2.153 -2.315 1.00 . A A . 20 ASN HB2 1 1 3 1462 1 1 20 ASN HB3 H -9.326 0.459 -2.835 1.00 . A A . 20 ASN HB3 1 1 3 1463 1 1 20 ASN HD21 H -11.195 -0.646 -3.281 1.00 . A A . 20 ASN HD21 1 1 3 1464 1 1 20 ASN HD22 H -12.802 0.040 -3.087 1.00 . A A . 20 ASN HD22 1 1 3 1465 1 1 20 ASN N N -9.249 1.908 0.132 1.00 . A A . 20 ASN N 1 1 3 1466 1 1 20 ASN ND2 N -11.806 0.098 -2.943 1.00 . A A . 20 ASN ND2 1 1 3 1467 1 1 20 ASN O O -7.021 0.560 -0.922 1.00 . A A . 20 ASN O 1 1 3 1468 1 1 20 ASN OD1 O -11.967 2.081 -1.892 1.00 . A A . 20 ASN OD1 1 1 3 1469 1 1 21 GLU C C -6.408 -2.210 -1.994 1.00 . A A . 21 GLU C 1 1 3 1470 1 1 21 GLU CA C -6.972 -2.189 -0.572 1.00 . A A . 21 GLU CA 1 1 3 1471 1 1 21 GLU CB C -7.333 -3.601 -0.099 1.00 . A A . 21 GLU CB 1 1 3 1472 1 1 21 GLU CD C -6.411 -5.624 1.081 1.00 . A A . 21 GLU CD 1 1 3 1473 1 1 21 GLU CG C -6.063 -4.352 0.317 1.00 . A A . 21 GLU CG 1 1 3 1474 1 1 21 GLU H H -9.049 -1.791 -0.364 1.00 . A A . 21 GLU H 1 1 3 1475 1 1 21 GLU HA H -6.227 -1.767 0.098 1.00 . A A . 21 GLU HA 1 1 3 1476 1 1 21 GLU HB2 H -8.007 -3.535 0.753 1.00 . A A . 21 GLU HB2 1 1 3 1477 1 1 21 GLU HB3 H -7.827 -4.143 -0.908 1.00 . A A . 21 GLU HB3 1 1 3 1478 1 1 21 GLU HG2 H -5.491 -4.615 -0.573 1.00 . A A . 21 GLU HG2 1 1 3 1479 1 1 21 GLU HG3 H -5.458 -3.709 0.954 1.00 . A A . 21 GLU HG3 1 1 3 1480 1 1 21 GLU N N -8.154 -1.353 -0.534 1.00 . A A . 21 GLU N 1 1 3 1481 1 1 21 GLU O O -5.233 -2.490 -2.190 1.00 . A A . 21 GLU O 1 1 3 1482 1 1 21 GLU OE1 O -7.184 -6.430 0.522 1.00 . A A . 21 GLU OE1 1 1 3 1483 1 1 21 GLU OE2 O -5.895 -5.764 2.213 1.00 . A A . 21 GLU OE2 1 1 3 1484 1 1 22 ASP C C -5.685 -0.891 -4.555 1.00 . A A . 22 ASP C 1 1 3 1485 1 1 22 ASP CA C -6.856 -1.857 -4.379 1.00 . A A . 22 ASP CA 1 1 3 1486 1 1 22 ASP CB C -8.052 -1.395 -5.219 1.00 . A A . 22 ASP CB 1 1 3 1487 1 1 22 ASP CG C -9.309 -2.190 -4.881 1.00 . A A . 22 ASP CG 1 1 3 1488 1 1 22 ASP H H -8.222 -1.690 -2.761 1.00 . A A . 22 ASP H 1 1 3 1489 1 1 22 ASP HA H -6.556 -2.855 -4.700 1.00 . A A . 22 ASP HA 1 1 3 1490 1 1 22 ASP HB2 H -8.238 -0.339 -5.021 1.00 . A A . 22 ASP HB2 1 1 3 1491 1 1 22 ASP HB3 H -7.817 -1.525 -6.276 1.00 . A A . 22 ASP HB3 1 1 3 1492 1 1 22 ASP N N -7.257 -1.903 -2.982 1.00 . A A . 22 ASP N 1 1 3 1493 1 1 22 ASP O O -4.657 -1.245 -5.136 1.00 . A A . 22 ASP O 1 1 3 1494 1 1 22 ASP OD1 O -9.967 -1.810 -3.883 1.00 . A A . 22 ASP OD1 1 1 3 1495 1 1 22 ASP OD2 O -9.587 -3.156 -5.621 1.00 . A A . 22 ASP OD2 1 1 3 1496 1 1 23 HIS C C -3.598 0.955 -3.339 1.00 . A A . 23 HIS C 1 1 3 1497 1 1 23 HIS CA C -4.816 1.357 -4.161 1.00 . A A . 23 HIS CA 1 1 3 1498 1 1 23 HIS CB C -5.372 2.699 -3.676 1.00 . A A . 23 HIS CB 1 1 3 1499 1 1 23 HIS CD2 C -7.748 3.813 -3.893 1.00 . A A . 23 HIS CD2 1 1 3 1500 1 1 23 HIS CE1 C -8.261 3.151 -5.853 1.00 . A A . 23 HIS CE1 1 1 3 1501 1 1 23 HIS CG C -6.683 3.065 -4.326 1.00 . A A . 23 HIS CG 1 1 3 1502 1 1 23 HIS H H -6.706 0.573 -3.579 1.00 . A A . 23 HIS H 1 1 3 1503 1 1 23 HIS HA H -4.522 1.446 -5.206 1.00 . A A . 23 HIS HA 1 1 3 1504 1 1 23 HIS HB2 H -5.520 2.647 -2.598 1.00 . A A . 23 HIS HB2 1 1 3 1505 1 1 23 HIS HB3 H -4.643 3.480 -3.892 1.00 . A A . 23 HIS HB3 1 1 3 1506 1 1 23 HIS HD1 H -6.486 2.070 -6.224 1.00 . A A . 23 HIS HD1 1 1 3 1507 1 1 23 HIS HD2 H -7.798 4.293 -2.927 1.00 . A A . 23 HIS HD2 1 1 3 1508 1 1 23 HIS HE1 H -8.794 2.986 -6.778 1.00 . A A . 23 HIS HE1 1 1 3 1509 1 1 23 HIS N N -5.846 0.336 -4.051 1.00 . A A . 23 HIS N 1 1 3 1510 1 1 23 HIS ND1 N -7.037 2.644 -5.603 1.00 . A A . 23 HIS ND1 1 1 3 1511 1 1 23 HIS NE2 N -8.753 3.876 -4.847 1.00 . A A . 23 HIS NE2 1 1 3 1512 1 1 23 HIS O O -2.461 1.193 -3.745 1.00 . A A . 23 HIS O 1 1 3 1513 1 1 24 LEU C C -1.948 -1.201 -2.034 1.00 . A A . 24 LEU C 1 1 3 1514 1 1 24 LEU CA C -2.754 -0.112 -1.325 1.00 . A A . 24 LEU CA 1 1 3 1515 1 1 24 LEU CB C -3.335 -0.643 -0.017 1.00 . A A . 24 LEU CB 1 1 3 1516 1 1 24 LEU CD1 C -2.272 -0.045 2.177 1.00 . A A . 24 LEU CD1 1 1 3 1517 1 1 24 LEU CD2 C -2.331 -2.426 1.432 1.00 . A A . 24 LEU CD2 1 1 3 1518 1 1 24 LEU CG C -2.198 -0.973 0.969 1.00 . A A . 24 LEU CG 1 1 3 1519 1 1 24 LEU H H -4.790 0.171 -1.888 1.00 . A A . 24 LEU H 1 1 3 1520 1 1 24 LEU HA H -2.100 0.732 -1.107 1.00 . A A . 24 LEU HA 1 1 3 1521 1 1 24 LEU HB2 H -3.991 0.112 0.415 1.00 . A A . 24 LEU HB2 1 1 3 1522 1 1 24 LEU HB3 H -3.911 -1.544 -0.219 1.00 . A A . 24 LEU HB3 1 1 3 1523 1 1 24 LEU HD11 H -3.304 0.231 2.367 1.00 . A A . 24 LEU HD11 1 1 3 1524 1 1 24 LEU HD12 H -1.872 -0.555 3.049 1.00 . A A . 24 LEU HD12 1 1 3 1525 1 1 24 LEU HD13 H -1.685 0.851 1.981 1.00 . A A . 24 LEU HD13 1 1 3 1526 1 1 24 LEU HD21 H -2.286 -3.090 0.568 1.00 . A A . 24 LEU HD21 1 1 3 1527 1 1 24 LEU HD22 H -1.516 -2.667 2.115 1.00 . A A . 24 LEU HD22 1 1 3 1528 1 1 24 LEU HD23 H -3.284 -2.560 1.943 1.00 . A A . 24 LEU HD23 1 1 3 1529 1 1 24 LEU HG H -1.230 -0.840 0.479 1.00 . A A . 24 LEU HG 1 1 3 1530 1 1 24 LEU N N -3.834 0.337 -2.183 1.00 . A A . 24 LEU N 1 1 3 1531 1 1 24 LEU O O -0.743 -1.275 -1.865 1.00 . A A . 24 LEU O 1 1 3 1532 1 1 25 ALA C C -0.933 -2.608 -4.510 1.00 . A A . 25 ALA C 1 1 3 1533 1 1 25 ALA CA C -1.968 -3.138 -3.521 1.00 . A A . 25 ALA CA 1 1 3 1534 1 1 25 ALA CB C -3.025 -3.969 -4.245 1.00 . A A . 25 ALA CB 1 1 3 1535 1 1 25 ALA H H -3.618 -1.932 -2.935 1.00 . A A . 25 ALA H 1 1 3 1536 1 1 25 ALA HA H -1.456 -3.771 -2.787 1.00 . A A . 25 ALA HA 1 1 3 1537 1 1 25 ALA HB1 H -3.760 -4.332 -3.526 1.00 . A A . 25 ALA HB1 1 1 3 1538 1 1 25 ALA HB2 H -3.525 -3.353 -4.994 1.00 . A A . 25 ALA HB2 1 1 3 1539 1 1 25 ALA HB3 H -2.549 -4.817 -4.735 1.00 . A A . 25 ALA HB3 1 1 3 1540 1 1 25 ALA N N -2.619 -2.044 -2.821 1.00 . A A . 25 ALA N 1 1 3 1541 1 1 25 ALA O O 0.223 -3.002 -4.448 1.00 . A A . 25 ALA O 1 1 3 1542 1 1 26 VAL C C 0.700 -0.390 -5.748 1.00 . A A . 26 VAL C 1 1 3 1543 1 1 26 VAL CA C -0.425 -1.178 -6.429 1.00 . A A . 26 VAL CA 1 1 3 1544 1 1 26 VAL CB C -1.189 -0.297 -7.439 1.00 . A A . 26 VAL CB 1 1 3 1545 1 1 26 VAL CG1 C -2.194 -1.157 -8.211 1.00 . A A . 26 VAL CG1 1 1 3 1546 1 1 26 VAL CG2 C -1.937 0.839 -6.727 1.00 . A A . 26 VAL CG2 1 1 3 1547 1 1 26 VAL H H -2.309 -1.419 -5.437 1.00 . A A . 26 VAL H 1 1 3 1548 1 1 26 VAL HA H 0.023 -2.011 -6.972 1.00 . A A . 26 VAL HA 1 1 3 1549 1 1 26 VAL HB H -0.476 0.134 -8.145 1.00 . A A . 26 VAL HB 1 1 3 1550 1 1 26 VAL HG11 H -1.671 -1.985 -8.690 1.00 . A A . 26 VAL HG11 1 1 3 1551 1 1 26 VAL HG12 H -2.943 -1.550 -7.524 1.00 . A A . 26 VAL HG12 1 1 3 1552 1 1 26 VAL HG13 H -2.683 -0.549 -8.973 1.00 . A A . 26 VAL HG13 1 1 3 1553 1 1 26 VAL HG21 H -2.643 0.421 -6.017 1.00 . A A . 26 VAL HG21 1 1 3 1554 1 1 26 VAL HG22 H -1.228 1.482 -6.204 1.00 . A A . 26 VAL HG22 1 1 3 1555 1 1 26 VAL HG23 H -2.478 1.432 -7.464 1.00 . A A . 26 VAL HG23 1 1 3 1556 1 1 26 VAL N N -1.344 -1.721 -5.426 1.00 . A A . 26 VAL N 1 1 3 1557 1 1 26 VAL O O 1.861 -0.480 -6.153 1.00 . A A . 26 VAL O 1 1 3 1558 1 1 27 HIS C C 2.342 0.304 -3.312 1.00 . A A . 27 HIS C 1 1 3 1559 1 1 27 HIS CA C 1.305 1.192 -3.990 1.00 . A A . 27 HIS CA 1 1 3 1560 1 1 27 HIS CB C 0.524 1.989 -2.950 1.00 . A A . 27 HIS CB 1 1 3 1561 1 1 27 HIS CD2 C 1.727 2.940 -0.852 1.00 . A A . 27 HIS CD2 1 1 3 1562 1 1 27 HIS CE1 C 2.670 4.640 -1.715 1.00 . A A . 27 HIS CE1 1 1 3 1563 1 1 27 HIS CG C 1.381 2.926 -2.165 1.00 . A A . 27 HIS CG 1 1 3 1564 1 1 27 HIS H H -0.614 0.411 -4.417 1.00 . A A . 27 HIS H 1 1 3 1565 1 1 27 HIS HA H 1.802 1.876 -4.679 1.00 . A A . 27 HIS HA 1 1 3 1566 1 1 27 HIS HB2 H -0.254 2.562 -3.452 1.00 . A A . 27 HIS HB2 1 1 3 1567 1 1 27 HIS HB3 H 0.053 1.286 -2.256 1.00 . A A . 27 HIS HB3 1 1 3 1568 1 1 27 HIS HD1 H 1.958 4.338 -3.681 1.00 . A A . 27 HIS HD1 1 1 3 1569 1 1 27 HIS HD2 H 1.395 2.201 -0.145 1.00 . A A . 27 HIS HD2 1 1 3 1570 1 1 27 HIS HE1 H 3.253 5.540 -1.849 1.00 . A A . 27 HIS HE1 1 1 3 1571 1 1 27 HIS N N 0.352 0.380 -4.716 1.00 . A A . 27 HIS N 1 1 3 1572 1 1 27 HIS ND1 N 2.001 4.038 -2.717 1.00 . A A . 27 HIS ND1 1 1 3 1573 1 1 27 HIS NE2 N 2.542 4.016 -0.541 1.00 . A A . 27 HIS NE2 1 1 3 1574 1 1 27 HIS O O 3.547 0.501 -3.464 1.00 . A A . 27 HIS O 1 1 3 1575 1 1 28 LYS C C 3.507 -2.463 -2.742 1.00 . A A . 28 LYS C 1 1 3 1576 1 1 28 LYS CA C 2.674 -1.591 -1.805 1.00 . A A . 28 LYS CA 1 1 3 1577 1 1 28 LYS CB C 1.751 -2.445 -0.936 1.00 . A A . 28 LYS CB 1 1 3 1578 1 1 28 LYS CD C 1.901 -3.549 1.288 1.00 . A A . 28 LYS CD 1 1 3 1579 1 1 28 LYS CE C 2.788 -4.395 2.213 1.00 . A A . 28 LYS CE 1 1 3 1580 1 1 28 LYS CG C 2.571 -3.393 -0.077 1.00 . A A . 28 LYS CG 1 1 3 1581 1 1 28 LYS H H 0.851 -0.779 -2.491 1.00 . A A . 28 LYS H 1 1 3 1582 1 1 28 LYS HA H 3.345 -1.022 -1.160 1.00 . A A . 28 LYS HA 1 1 3 1583 1 1 28 LYS HB2 H 1.161 -1.792 -0.293 1.00 . A A . 28 LYS HB2 1 1 3 1584 1 1 28 LYS HB3 H 1.081 -3.023 -1.574 1.00 . A A . 28 LYS HB3 1 1 3 1585 1 1 28 LYS HD2 H 1.747 -2.563 1.728 1.00 . A A . 28 LYS HD2 1 1 3 1586 1 1 28 LYS HD3 H 0.936 -4.039 1.160 1.00 . A A . 28 LYS HD3 1 1 3 1587 1 1 28 LYS HE2 H 2.242 -4.604 3.134 1.00 . A A . 28 LYS HE2 1 1 3 1588 1 1 28 LYS HE3 H 3.024 -5.339 1.718 1.00 . A A . 28 LYS HE3 1 1 3 1589 1 1 28 LYS HG2 H 2.630 -4.364 -0.571 1.00 . A A . 28 LYS HG2 1 1 3 1590 1 1 28 LYS HG3 H 3.569 -2.987 0.050 1.00 . A A . 28 LYS HG3 1 1 3 1591 1 1 28 LYS HZ1 H 4.554 -3.482 1.694 1.00 . A A . 28 LYS HZ1 1 1 3 1592 1 1 28 LYS HZ2 H 3.836 -2.839 3.043 1.00 . A A . 28 LYS HZ2 1 1 3 1593 1 1 28 LYS HZ3 H 4.618 -4.293 3.130 1.00 . A A . 28 LYS HZ3 1 1 3 1594 1 1 28 LYS N N 1.850 -0.670 -2.555 1.00 . A A . 28 LYS N 1 1 3 1595 1 1 28 LYS NZ N 4.046 -3.696 2.547 1.00 . A A . 28 LYS NZ 1 1 3 1596 1 1 28 LYS O O 4.665 -2.735 -2.460 1.00 . A A . 28 LYS O 1 1 3 1597 1 1 29 HIS C C 4.915 -3.126 -5.228 1.00 . A A . 29 HIS C 1 1 3 1598 1 1 29 HIS CA C 3.581 -3.746 -4.821 1.00 . A A . 29 HIS CA 1 1 3 1599 1 1 29 HIS CB C 2.667 -3.928 -6.038 1.00 . A A . 29 HIS CB 1 1 3 1600 1 1 29 HIS CD2 C 3.526 -4.084 -8.519 1.00 . A A . 29 HIS CD2 1 1 3 1601 1 1 29 HIS CE1 C 4.555 -5.944 -8.410 1.00 . A A . 29 HIS CE1 1 1 3 1602 1 1 29 HIS CG C 3.376 -4.518 -7.227 1.00 . A A . 29 HIS CG 1 1 3 1603 1 1 29 HIS H H 1.949 -2.640 -4.030 1.00 . A A . 29 HIS H 1 1 3 1604 1 1 29 HIS HA H 3.768 -4.722 -4.370 1.00 . A A . 29 HIS HA 1 1 3 1605 1 1 29 HIS HB2 H 1.842 -4.585 -5.762 1.00 . A A . 29 HIS HB2 1 1 3 1606 1 1 29 HIS HB3 H 2.263 -2.959 -6.322 1.00 . A A . 29 HIS HB3 1 1 3 1607 1 1 29 HIS HD1 H 4.154 -6.332 -6.372 1.00 . A A . 29 HIS HD1 1 1 3 1608 1 1 29 HIS HD2 H 3.113 -3.160 -8.899 1.00 . A A . 29 HIS HD2 1 1 3 1609 1 1 29 HIS HE1 H 5.133 -6.818 -8.669 1.00 . A A . 29 HIS HE1 1 1 3 1610 1 1 29 HIS N N 2.907 -2.900 -3.850 1.00 . A A . 29 HIS N 1 1 3 1611 1 1 29 HIS ND1 N 4.055 -5.729 -7.177 1.00 . A A . 29 HIS ND1 1 1 3 1612 1 1 29 HIS NE2 N 4.267 -4.974 -9.278 1.00 . A A . 29 HIS NE2 1 1 3 1613 1 1 29 HIS O O 5.949 -3.787 -5.163 1.00 . A A . 29 HIS O 1 1 3 1614 1 1 30 LYS C C 7.127 -1.073 -4.958 1.00 . A A . 30 LYS C 1 1 3 1615 1 1 30 LYS CA C 6.102 -1.176 -6.093 1.00 . A A . 30 LYS CA 1 1 3 1616 1 1 30 LYS CB C 5.742 0.212 -6.624 1.00 . A A . 30 LYS CB 1 1 3 1617 1 1 30 LYS CD C 4.966 1.369 -8.715 1.00 . A A . 30 LYS CD 1 1 3 1618 1 1 30 LYS CE C 6.229 1.365 -9.585 1.00 . A A . 30 LYS CE 1 1 3 1619 1 1 30 LYS CG C 4.897 0.075 -7.898 1.00 . A A . 30 LYS CG 1 1 3 1620 1 1 30 LYS H H 4.016 -1.348 -5.669 1.00 . A A . 30 LYS H 1 1 3 1621 1 1 30 LYS HA H 6.547 -1.755 -6.905 1.00 . A A . 30 LYS HA 1 1 3 1622 1 1 30 LYS HB2 H 5.176 0.758 -5.868 1.00 . A A . 30 LYS HB2 1 1 3 1623 1 1 30 LYS HB3 H 6.658 0.757 -6.852 1.00 . A A . 30 LYS HB3 1 1 3 1624 1 1 30 LYS HD2 H 4.086 1.437 -9.355 1.00 . A A . 30 LYS HD2 1 1 3 1625 1 1 30 LYS HD3 H 4.988 2.225 -8.039 1.00 . A A . 30 LYS HD3 1 1 3 1626 1 1 30 LYS HE2 H 7.107 1.260 -8.947 1.00 . A A . 30 LYS HE2 1 1 3 1627 1 1 30 LYS HE3 H 6.186 0.521 -10.274 1.00 . A A . 30 LYS HE3 1 1 3 1628 1 1 30 LYS HG2 H 5.275 -0.753 -8.499 1.00 . A A . 30 LYS HG2 1 1 3 1629 1 1 30 LYS HG3 H 3.862 -0.124 -7.622 1.00 . A A . 30 LYS HG3 1 1 3 1630 1 1 30 LYS HZ1 H 5.536 2.713 -10.958 1.00 . A A . 30 LYS HZ1 1 1 3 1631 1 1 30 LYS HZ2 H 6.396 3.398 -9.728 1.00 . A A . 30 LYS HZ2 1 1 3 1632 1 1 30 LYS HZ3 H 7.180 2.580 -10.926 1.00 . A A . 30 LYS HZ3 1 1 3 1633 1 1 30 LYS N N 4.892 -1.856 -5.649 1.00 . A A . 30 LYS N 1 1 3 1634 1 1 30 LYS NZ N 6.343 2.612 -10.360 1.00 . A A . 30 LYS NZ 1 1 3 1635 1 1 30 LYS O O 8.327 -1.108 -5.214 1.00 . A A . 30 LYS O 1 1 3 1636 1 1 31 HIS C C 8.243 -2.157 -2.271 1.00 . A A . 31 HIS C 1 1 3 1637 1 1 31 HIS CA C 7.565 -0.821 -2.565 1.00 . A A . 31 HIS CA 1 1 3 1638 1 1 31 HIS CB C 6.786 -0.341 -1.341 1.00 . A A . 31 HIS CB 1 1 3 1639 1 1 31 HIS CD2 C 5.167 1.723 -1.184 1.00 . A A . 31 HIS CD2 1 1 3 1640 1 1 31 HIS CE1 C 6.491 3.241 -1.885 1.00 . A A . 31 HIS CE1 1 1 3 1641 1 1 31 HIS CG C 6.352 1.091 -1.458 1.00 . A A . 31 HIS CG 1 1 3 1642 1 1 31 HIS H H 5.667 -0.924 -3.539 1.00 . A A . 31 HIS H 1 1 3 1643 1 1 31 HIS HA H 8.334 -0.086 -2.801 1.00 . A A . 31 HIS HA 1 1 3 1644 1 1 31 HIS HB2 H 5.905 -0.968 -1.210 1.00 . A A . 31 HIS HB2 1 1 3 1645 1 1 31 HIS HB3 H 7.422 -0.441 -0.462 1.00 . A A . 31 HIS HB3 1 1 3 1646 1 1 31 HIS HD1 H 8.158 1.990 -2.207 1.00 . A A . 31 HIS HD1 1 1 3 1647 1 1 31 HIS HD2 H 4.284 1.222 -0.809 1.00 . A A . 31 HIS HD2 1 1 3 1648 1 1 31 HIS HE1 H 6.896 4.196 -2.185 1.00 . A A . 31 HIS HE1 1 1 3 1649 1 1 31 HIS N N 6.665 -0.942 -3.707 1.00 . A A . 31 HIS N 1 1 3 1650 1 1 31 HIS ND1 N 7.197 2.097 -1.912 1.00 . A A . 31 HIS ND1 1 1 3 1651 1 1 31 HIS NE2 N 5.243 3.082 -1.445 1.00 . A A . 31 HIS NE2 1 1 3 1652 1 1 31 HIS O O 9.466 -2.226 -2.202 1.00 . A A . 31 HIS O 1 1 3 1653 1 1 32 GLU C C 8.946 -4.994 -2.871 1.00 . A A . 32 GLU C 1 1 3 1654 1 1 32 GLU CA C 7.970 -4.534 -1.780 1.00 . A A . 32 GLU CA 1 1 3 1655 1 1 32 GLU CB C 6.802 -5.525 -1.636 1.00 . A A . 32 GLU CB 1 1 3 1656 1 1 32 GLU CD C 6.256 -4.872 0.768 1.00 . A A . 32 GLU CD 1 1 3 1657 1 1 32 GLU CG C 6.682 -5.999 -0.177 1.00 . A A . 32 GLU CG 1 1 3 1658 1 1 32 GLU H H 6.444 -3.096 -2.160 1.00 . A A . 32 GLU H 1 1 3 1659 1 1 32 GLU HA H 8.508 -4.482 -0.833 1.00 . A A . 32 GLU HA 1 1 3 1660 1 1 32 GLU HB2 H 5.871 -5.044 -1.940 1.00 . A A . 32 GLU HB2 1 1 3 1661 1 1 32 GLU HB3 H 6.981 -6.388 -2.277 1.00 . A A . 32 GLU HB3 1 1 3 1662 1 1 32 GLU HG2 H 5.942 -6.797 -0.126 1.00 . A A . 32 GLU HG2 1 1 3 1663 1 1 32 GLU HG3 H 7.646 -6.390 0.149 1.00 . A A . 32 GLU HG3 1 1 3 1664 1 1 32 GLU N N 7.447 -3.210 -2.090 1.00 . A A . 32 GLU N 1 1 3 1665 1 1 32 GLU O O 9.954 -5.629 -2.567 1.00 . A A . 32 GLU O 1 1 3 1666 1 1 32 GLU OE1 O 5.766 -3.839 0.262 1.00 . A A . 32 GLU OE1 1 1 3 1667 1 1 32 GLU OE2 O 6.418 -5.066 1.991 1.00 . A A . 32 GLU OE2 1 1 3 1668 1 1 33 MET C C 10.736 -4.177 -5.329 1.00 . A A . 33 MET C 1 1 3 1669 1 1 33 MET CA C 9.498 -5.074 -5.255 1.00 . A A . 33 MET CA 1 1 3 1670 1 1 33 MET CB C 8.701 -5.002 -6.563 1.00 . A A . 33 MET CB 1 1 3 1671 1 1 33 MET CE C 6.403 -8.473 -6.067 1.00 . A A . 33 MET CE 1 1 3 1672 1 1 33 MET CG C 7.969 -6.327 -6.806 1.00 . A A . 33 MET CG 1 1 3 1673 1 1 33 MET H H 7.806 -4.150 -4.340 1.00 . A A . 33 MET H 1 1 3 1674 1 1 33 MET HA H 9.825 -6.105 -5.101 1.00 . A A . 33 MET HA 1 1 3 1675 1 1 33 MET HB2 H 7.979 -4.189 -6.507 1.00 . A A . 33 MET HB2 1 1 3 1676 1 1 33 MET HB3 H 9.385 -4.816 -7.391 1.00 . A A . 33 MET HB3 1 1 3 1677 1 1 33 MET HE1 H 5.950 -8.399 -7.055 1.00 . A A . 33 MET HE1 1 1 3 1678 1 1 33 MET HE2 H 7.303 -9.087 -6.124 1.00 . A A . 33 MET HE2 1 1 3 1679 1 1 33 MET HE3 H 5.695 -8.929 -5.377 1.00 . A A . 33 MET HE3 1 1 3 1680 1 1 33 MET HG2 H 7.397 -6.239 -7.727 1.00 . A A . 33 MET HG2 1 1 3 1681 1 1 33 MET HG3 H 8.712 -7.113 -6.933 1.00 . A A . 33 MET HG3 1 1 3 1682 1 1 33 MET N N 8.647 -4.676 -4.140 1.00 . A A . 33 MET N 1 1 3 1683 1 1 33 MET O O 11.857 -4.677 -5.281 1.00 . A A . 33 MET O 1 1 3 1684 1 1 33 MET SD S 6.838 -6.819 -5.477 1.00 . A A . 33 MET SD 1 1 3 1685 1 1 34 THR C C 12.680 -2.348 -6.531 1.00 . A A . 34 THR C 1 1 3 1686 1 1 34 THR CA C 11.601 -1.867 -5.554 1.00 . A A . 34 THR CA 1 1 3 1687 1 1 34 THR CB C 12.195 -1.555 -4.160 1.00 . A A . 34 THR CB 1 1 3 1688 1 1 34 THR CG2 C 11.517 -0.310 -3.587 1.00 . A A . 34 THR CG2 1 1 3 1689 1 1 34 THR H H 9.569 -2.513 -5.477 1.00 . A A . 34 THR H 1 1 3 1690 1 1 34 THR HA H 11.176 -0.945 -5.954 1.00 . A A . 34 THR HA 1 1 3 1691 1 1 34 THR HB H 13.263 -1.361 -4.254 1.00 . A A . 34 THR HB 1 1 3 1692 1 1 34 THR HG1 H 11.061 -2.693 -3.061 1.00 . A A . 34 THR HG1 1 1 3 1693 1 1 34 THR HG21 H 10.437 -0.420 -3.651 1.00 . A A . 34 THR HG21 1 1 3 1694 1 1 34 THR HG22 H 11.809 -0.185 -2.544 1.00 . A A . 34 THR HG22 1 1 3 1695 1 1 34 THR HG23 H 11.825 0.567 -4.157 1.00 . A A . 34 THR HG23 1 1 3 1696 1 1 34 THR N N 10.520 -2.854 -5.451 1.00 . A A . 34 THR N 1 1 3 1697 1 1 34 THR O O 13.781 -2.715 -6.122 1.00 . A A . 34 THR O 1 1 3 1698 1 1 34 THR OG1 O 11.998 -2.641 -3.278 1.00 . A A . 34 THR OG1 1 1 3 1699 1 1 35 LEU C C 13.587 -4.230 -8.752 1.00 . A A . 35 LEU C 1 1 3 1700 1 1 35 LEU CA C 13.290 -2.731 -8.876 1.00 . A A . 35 LEU CA 1 1 3 1701 1 1 35 LEU CB C 14.569 -1.872 -8.783 1.00 . A A . 35 LEU CB 1 1 3 1702 1 1 35 LEU CD1 C 16.304 -0.619 -10.077 1.00 . A A . 35 LEU CD1 1 1 3 1703 1 1 35 LEU CD2 C 15.633 -2.906 -10.820 1.00 . A A . 35 LEU CD2 1 1 3 1704 1 1 35 LEU CG C 15.138 -1.603 -10.186 1.00 . A A . 35 LEU CG 1 1 3 1705 1 1 35 LEU H H 11.429 -2.029 -8.111 1.00 . A A . 35 LEU H 1 1 3 1706 1 1 35 LEU HA H 12.819 -2.551 -9.842 1.00 . A A . 35 LEU HA 1 1 3 1707 1 1 35 LEU HB2 H 14.322 -0.918 -8.314 1.00 . A A . 35 LEU HB2 1 1 3 1708 1 1 35 LEU HB3 H 15.317 -2.382 -8.177 1.00 . A A . 35 LEU HB3 1 1 3 1709 1 1 35 LEU HD11 H 15.953 0.313 -9.633 1.00 . A A . 35 LEU HD11 1 1 3 1710 1 1 35 LEU HD12 H 17.086 -1.048 -9.450 1.00 . A A . 35 LEU HD12 1 1 3 1711 1 1 35 LEU HD13 H 16.705 -0.418 -11.070 1.00 . A A . 35 LEU HD13 1 1 3 1712 1 1 35 LEU HD21 H 16.331 -3.400 -10.145 1.00 . A A . 35 LEU HD21 1 1 3 1713 1 1 35 LEU HD22 H 14.787 -3.564 -11.016 1.00 . A A . 35 LEU HD22 1 1 3 1714 1 1 35 LEU HD23 H 16.138 -2.682 -11.760 1.00 . A A . 35 LEU HD23 1 1 3 1715 1 1 35 LEU HG H 14.360 -1.168 -10.815 1.00 . A A . 35 LEU HG 1 1 3 1716 1 1 35 LEU N N 12.356 -2.332 -7.831 1.00 . A A . 35 LEU N 1 1 3 1717 1 1 35 LEU O O 14.716 -4.639 -8.484 1.00 . A A . 35 LEU O 1 1 3 1718 1 1 36 LYS C C 11.591 -7.096 -9.800 1.00 . A A . 36 LYS C 1 1 3 1719 1 1 36 LYS CA C 12.663 -6.494 -8.900 1.00 . A A . 36 LYS CA 1 1 3 1720 1 1 36 LYS CB C 12.496 -6.959 -7.448 1.00 . A A . 36 LYS CB 1 1 3 1721 1 1 36 LYS CD C 12.644 -8.901 -5.882 1.00 . A A . 36 LYS CD 1 1 3 1722 1 1 36 LYS CE C 13.052 -10.371 -5.738 1.00 . A A . 36 LYS CE 1 1 3 1723 1 1 36 LYS CG C 12.764 -8.462 -7.345 1.00 . A A . 36 LYS CG 1 1 3 1724 1 1 36 LYS H H 11.647 -4.647 -9.169 1.00 . A A . 36 LYS H 1 1 3 1725 1 1 36 LYS HA H 13.647 -6.796 -9.263 1.00 . A A . 36 LYS HA 1 1 3 1726 1 1 36 LYS HB2 H 13.204 -6.423 -6.815 1.00 . A A . 36 LYS HB2 1 1 3 1727 1 1 36 LYS HB3 H 11.480 -6.747 -7.112 1.00 . A A . 36 LYS HB3 1 1 3 1728 1 1 36 LYS HD2 H 13.300 -8.284 -5.265 1.00 . A A . 36 LYS HD2 1 1 3 1729 1 1 36 LYS HD3 H 11.613 -8.774 -5.547 1.00 . A A . 36 LYS HD3 1 1 3 1730 1 1 36 LYS HE2 H 14.061 -10.503 -6.130 1.00 . A A . 36 LYS HE2 1 1 3 1731 1 1 36 LYS HE3 H 13.043 -10.641 -4.681 1.00 . A A . 36 LYS HE3 1 1 3 1732 1 1 36 LYS HG2 H 12.037 -9.003 -7.951 1.00 . A A . 36 LYS HG2 1 1 3 1733 1 1 36 LYS HG3 H 13.770 -8.676 -7.708 1.00 . A A . 36 LYS HG3 1 1 3 1734 1 1 36 LYS HZ1 H 11.187 -11.118 -6.131 1.00 . A A . 36 LYS HZ1 1 1 3 1735 1 1 36 LYS HZ2 H 12.167 -11.047 -7.456 1.00 . A A . 36 LYS HZ2 1 1 3 1736 1 1 36 LYS HZ3 H 12.398 -12.221 -6.320 1.00 . A A . 36 LYS HZ3 1 1 3 1737 1 1 36 LYS N N 12.551 -5.045 -8.959 1.00 . A A . 36 LYS N 1 1 3 1738 1 1 36 LYS NZ N 12.128 -11.259 -6.469 1.00 . A A . 36 LYS NZ 1 1 3 1739 1 1 36 LYS O O 11.884 -7.927 -10.657 1.00 . A A . 36 LYS O 1 1 3 1740 1 1 37 PHE C C 8.142 -5.992 -10.361 1.00 . A A . 37 PHE C 1 1 3 1741 1 1 37 PHE CA C 9.218 -7.081 -10.411 1.00 . A A . 37 PHE CA 1 1 3 1742 1 1 37 PHE CB C 8.688 -8.422 -9.882 1.00 . A A . 37 PHE CB 1 1 3 1743 1 1 37 PHE CD1 C 8.443 -9.763 -12.013 1.00 . A A . 37 PHE CD1 1 1 3 1744 1 1 37 PHE CD2 C 6.449 -9.289 -10.697 1.00 . A A . 37 PHE CD2 1 1 3 1745 1 1 37 PHE CE1 C 7.660 -10.464 -12.946 1.00 . A A . 37 PHE CE1 1 1 3 1746 1 1 37 PHE CE2 C 5.667 -9.990 -11.631 1.00 . A A . 37 PHE CE2 1 1 3 1747 1 1 37 PHE CG C 7.839 -9.174 -10.887 1.00 . A A . 37 PHE CG 1 1 3 1748 1 1 37 PHE CZ C 6.272 -10.577 -12.755 1.00 . A A . 37 PHE CZ 1 1 3 1749 1 1 37 PHE H H 10.176 -5.985 -8.866 1.00 . A A . 37 PHE H 1 1 3 1750 1 1 37 PHE HA H 9.546 -7.208 -11.443 1.00 . A A . 37 PHE HA 1 1 3 1751 1 1 37 PHE HB2 H 9.536 -9.050 -9.609 1.00 . A A . 37 PHE HB2 1 1 3 1752 1 1 37 PHE HB3 H 8.093 -8.236 -8.988 1.00 . A A . 37 PHE HB3 1 1 3 1753 1 1 37 PHE HD1 H 9.510 -9.677 -12.160 1.00 . A A . 37 PHE HD1 1 1 3 1754 1 1 37 PHE HD2 H 5.982 -8.839 -9.834 1.00 . A A . 37 PHE HD2 1 1 3 1755 1 1 37 PHE HE1 H 8.124 -10.915 -13.811 1.00 . A A . 37 PHE HE1 1 1 3 1756 1 1 37 PHE HE2 H 4.600 -10.076 -11.485 1.00 . A A . 37 PHE HE2 1 1 3 1757 1 1 37 PHE HZ H 5.670 -11.115 -13.473 1.00 . A A . 37 PHE HZ 1 1 3 1758 1 1 37 PHE N N 10.348 -6.653 -9.602 1.00 . A A . 37 PHE N 1 1 3 1759 1 1 37 PHE O O 6.958 -6.271 -10.523 1.00 . A A . 37 PHE O 1 1 3 1760 1 1 38 GLY C C 8.428 -2.420 -9.419 1.00 . A A . 38 GLY C 1 1 3 1761 1 1 38 GLY CA C 7.679 -3.607 -10.026 1.00 . A A . 38 GLY CA 1 1 3 1762 1 1 38 GLY H H 9.560 -4.571 -10.008 1.00 . A A . 38 GLY H 1 1 3 1763 1 1 38 GLY HA2 H 7.318 -3.339 -11.019 1.00 . A A . 38 GLY HA2 1 1 3 1764 1 1 38 GLY HA3 H 6.833 -3.864 -9.388 1.00 . A A . 38 GLY HA3 1 1 3 1765 1 1 38 GLY N N 8.573 -4.743 -10.126 1.00 . A A . 38 GLY N 1 1 3 1766 1 1 38 GLY O O 9.626 -2.610 -9.086 1.00 . A A . 38 GLY O 1 1 3 1767 1 1 38 GLY OXT O 7.824 -1.327 -9.384 1.00 . A A . 38 GLY OXT 1 1 4 1768 1 1 1 MET C C -14.200 8.868 7.657 1.00 . A A . 1 MET C 1 1 4 1769 1 1 1 MET CA C -13.595 9.375 8.961 1.00 . A A . 1 MET CA 1 1 4 1770 1 1 1 MET CB C -13.542 10.909 8.979 1.00 . A A . 1 MET CB 1 1 4 1771 1 1 1 MET CE C -12.858 13.353 12.308 1.00 . A A . 1 MET CE 1 1 4 1772 1 1 1 MET CG C -13.254 11.408 10.397 1.00 . A A . 1 MET CG 1 1 4 1773 1 1 1 MET H1 H -12.298 7.789 9.066 1.00 . A A . 1 MET H1 1 1 4 1774 1 1 1 MET H2 H -11.636 9.153 8.407 1.00 . A A . 1 MET H2 1 1 4 1775 1 1 1 MET H3 H -11.882 9.064 10.037 1.00 . A A . 1 MET H3 1 1 4 1776 1 1 1 MET HA H -14.223 9.039 9.787 1.00 . A A . 1 MET HA 1 1 4 1777 1 1 1 MET HB2 H -12.754 11.255 8.307 1.00 . A A . 1 MET HB2 1 1 4 1778 1 1 1 MET HB3 H -14.501 11.308 8.645 1.00 . A A . 1 MET HB3 1 1 4 1779 1 1 1 MET HE1 H -11.923 12.845 12.545 1.00 . A A . 1 MET HE1 1 1 4 1780 1 1 1 MET HE2 H -12.778 14.405 12.579 1.00 . A A . 1 MET HE2 1 1 4 1781 1 1 1 MET HE3 H -13.673 12.895 12.867 1.00 . A A . 1 MET HE3 1 1 4 1782 1 1 1 MET HG2 H -14.035 11.039 11.062 1.00 . A A . 1 MET HG2 1 1 4 1783 1 1 1 MET HG3 H -12.297 11.002 10.724 1.00 . A A . 1 MET HG3 1 1 4 1784 1 1 1 MET N N -12.247 8.804 9.135 1.00 . A A . 1 MET N 1 1 4 1785 1 1 1 MET O O -14.989 7.926 7.666 1.00 . A A . 1 MET O 1 1 4 1786 1 1 1 MET SD S -13.188 13.213 10.534 1.00 . A A . 1 MET SD 1 1 4 1787 1 1 2 SER C C -13.443 7.883 4.757 1.00 . A A . 2 SER C 1 1 4 1788 1 1 2 SER CA C -14.286 9.070 5.221 1.00 . A A . 2 SER CA 1 1 4 1789 1 1 2 SER CB C -14.172 10.253 4.252 1.00 . A A . 2 SER CB 1 1 4 1790 1 1 2 SER H H -13.175 10.263 6.580 1.00 . A A . 2 SER H 1 1 4 1791 1 1 2 SER HA H -15.331 8.763 5.287 1.00 . A A . 2 SER HA 1 1 4 1792 1 1 2 SER HB2 H -14.273 9.897 3.225 1.00 . A A . 2 SER HB2 1 1 4 1793 1 1 2 SER HB3 H -14.966 10.971 4.462 1.00 . A A . 2 SER HB3 1 1 4 1794 1 1 2 SER HG H -12.831 11.571 3.752 1.00 . A A . 2 SER HG 1 1 4 1795 1 1 2 SER N N -13.818 9.486 6.532 1.00 . A A . 2 SER N 1 1 4 1796 1 1 2 SER O O -12.779 7.946 3.722 1.00 . A A . 2 SER O 1 1 4 1797 1 1 2 SER OG O -12.917 10.882 4.416 1.00 . A A . 2 SER OG 1 1 4 1798 1 1 3 ASP C C -13.350 4.391 5.878 1.00 . A A . 3 ASP C 1 1 4 1799 1 1 3 ASP CA C -12.677 5.618 5.266 1.00 . A A . 3 ASP CA 1 1 4 1800 1 1 3 ASP CB C -11.254 5.806 5.823 1.00 . A A . 3 ASP CB 1 1 4 1801 1 1 3 ASP CG C -11.231 6.751 7.031 1.00 . A A . 3 ASP CG 1 1 4 1802 1 1 3 ASP H H -14.047 6.802 6.374 1.00 . A A . 3 ASP H 1 1 4 1803 1 1 3 ASP HA H -12.615 5.477 4.186 1.00 . A A . 3 ASP HA 1 1 4 1804 1 1 3 ASP HB2 H -10.850 4.837 6.119 1.00 . A A . 3 ASP HB2 1 1 4 1805 1 1 3 ASP HB3 H -10.626 6.224 5.039 1.00 . A A . 3 ASP HB3 1 1 4 1806 1 1 3 ASP N N -13.467 6.801 5.545 1.00 . A A . 3 ASP N 1 1 4 1807 1 1 3 ASP O O -13.132 4.072 7.044 1.00 . A A . 3 ASP O 1 1 4 1808 1 1 3 ASP OD1 O -11.790 6.364 8.079 1.00 . A A . 3 ASP OD1 1 1 4 1809 1 1 3 ASP OD2 O -10.649 7.854 6.885 1.00 . A A . 3 ASP OD2 1 1 4 1810 1 1 4 ASP C C -13.839 1.406 5.833 1.00 . A A . 4 ASP C 1 1 4 1811 1 1 4 ASP CA C -14.860 2.501 5.522 1.00 . A A . 4 ASP CA 1 1 4 1812 1 1 4 ASP CB C -15.831 2.046 4.429 1.00 . A A . 4 ASP CB 1 1 4 1813 1 1 4 ASP CG C -16.598 0.803 4.865 1.00 . A A . 4 ASP CG 1 1 4 1814 1 1 4 ASP H H -14.317 4.013 4.128 1.00 . A A . 4 ASP H 1 1 4 1815 1 1 4 ASP HA H -15.424 2.731 6.428 1.00 . A A . 4 ASP HA 1 1 4 1816 1 1 4 ASP HB2 H -16.541 2.848 4.224 1.00 . A A . 4 ASP HB2 1 1 4 1817 1 1 4 ASP HB3 H -15.271 1.823 3.521 1.00 . A A . 4 ASP HB3 1 1 4 1818 1 1 4 ASP N N -14.169 3.701 5.076 1.00 . A A . 4 ASP N 1 1 4 1819 1 1 4 ASP O O -13.989 0.676 6.813 1.00 . A A . 4 ASP O 1 1 4 1820 1 1 4 ASP OD1 O -17.403 0.936 5.810 1.00 . A A . 4 ASP OD1 1 1 4 1821 1 1 4 ASP OD2 O -16.365 -0.255 4.242 1.00 . A A . 4 ASP OD2 1 1 4 1822 1 1 5 LYS C C -10.374 0.993 5.092 1.00 . A A . 5 LYS C 1 1 4 1823 1 1 5 LYS CA C -11.747 0.307 5.163 1.00 . A A . 5 LYS CA 1 1 4 1824 1 1 5 LYS CB C -11.863 -0.749 4.060 1.00 . A A . 5 LYS CB 1 1 4 1825 1 1 5 LYS CD C -13.273 -2.618 3.152 1.00 . A A . 5 LYS CD 1 1 4 1826 1 1 5 LYS CE C -13.102 -2.213 1.680 1.00 . A A . 5 LYS CE 1 1 4 1827 1 1 5 LYS CG C -13.263 -1.371 4.049 1.00 . A A . 5 LYS CG 1 1 4 1828 1 1 5 LYS H H -12.732 1.928 4.206 1.00 . A A . 5 LYS H 1 1 4 1829 1 1 5 LYS HA H -11.857 -0.181 6.131 1.00 . A A . 5 LYS HA 1 1 4 1830 1 1 5 LYS HB2 H -11.671 -0.278 3.099 1.00 . A A . 5 LYS HB2 1 1 4 1831 1 1 5 LYS HB3 H -11.125 -1.528 4.237 1.00 . A A . 5 LYS HB3 1 1 4 1832 1 1 5 LYS HD2 H -12.457 -3.281 3.444 1.00 . A A . 5 LYS HD2 1 1 4 1833 1 1 5 LYS HD3 H -14.222 -3.141 3.273 1.00 . A A . 5 LYS HD3 1 1 4 1834 1 1 5 LYS HE2 H -13.972 -1.636 1.364 1.00 . A A . 5 LYS HE2 1 1 4 1835 1 1 5 LYS HE3 H -12.211 -1.598 1.573 1.00 . A A . 5 LYS HE3 1 1 4 1836 1 1 5 LYS HG2 H -13.542 -1.655 5.065 1.00 . A A . 5 LYS HG2 1 1 4 1837 1 1 5 LYS HG3 H -13.981 -0.645 3.669 1.00 . A A . 5 LYS HG3 1 1 4 1838 1 1 5 LYS HZ1 H -13.787 -3.974 0.890 1.00 . A A . 5 LYS HZ1 1 1 4 1839 1 1 5 LYS HZ2 H -12.853 -3.095 -0.150 1.00 . A A . 5 LYS HZ2 1 1 4 1840 1 1 5 LYS HZ3 H -12.144 -3.929 1.086 1.00 . A A . 5 LYS HZ3 1 1 4 1841 1 1 5 LYS N N -12.799 1.300 4.992 1.00 . A A . 5 LYS N 1 1 4 1842 1 1 5 LYS NZ N -12.965 -3.395 0.810 1.00 . A A . 5 LYS NZ 1 1 4 1843 1 1 5 LYS O O -9.773 1.049 4.025 1.00 . A A . 5 LYS O 1 1 4 1844 1 1 6 PRO C C -7.447 1.147 6.184 1.00 . A A . 6 PRO C 1 1 4 1845 1 1 6 PRO CA C -8.582 2.177 6.261 1.00 . A A . 6 PRO CA 1 1 4 1846 1 1 6 PRO CB C -8.554 2.926 7.592 1.00 . A A . 6 PRO CB 1 1 4 1847 1 1 6 PRO CD C -10.554 1.500 7.495 1.00 . A A . 6 PRO CD 1 1 4 1848 1 1 6 PRO CG C -9.728 2.392 8.424 1.00 . A A . 6 PRO CG 1 1 4 1849 1 1 6 PRO HA H -8.499 2.885 5.436 1.00 . A A . 6 PRO HA 1 1 4 1850 1 1 6 PRO HB2 H -7.613 2.742 8.108 1.00 . A A . 6 PRO HB2 1 1 4 1851 1 1 6 PRO HB3 H -8.680 3.993 7.416 1.00 . A A . 6 PRO HB3 1 1 4 1852 1 1 6 PRO HD2 H -10.592 0.483 7.887 1.00 . A A . 6 PRO HD2 1 1 4 1853 1 1 6 PRO HD3 H -11.561 1.902 7.390 1.00 . A A . 6 PRO HD3 1 1 4 1854 1 1 6 PRO HG2 H -9.354 1.807 9.265 1.00 . A A . 6 PRO HG2 1 1 4 1855 1 1 6 PRO HG3 H -10.337 3.220 8.787 1.00 . A A . 6 PRO HG3 1 1 4 1856 1 1 6 PRO N N -9.871 1.519 6.220 1.00 . A A . 6 PRO N 1 1 4 1857 1 1 6 PRO O O -7.227 0.400 7.136 1.00 . A A . 6 PRO O 1 1 4 1858 1 1 7 PHE C C -4.294 0.951 5.019 1.00 . A A . 7 PHE C 1 1 4 1859 1 1 7 PHE CA C -5.606 0.198 4.866 1.00 . A A . 7 PHE CA 1 1 4 1860 1 1 7 PHE CB C -5.681 -0.424 3.475 1.00 . A A . 7 PHE CB 1 1 4 1861 1 1 7 PHE CD1 C -7.068 -2.511 3.738 1.00 . A A . 7 PHE CD1 1 1 4 1862 1 1 7 PHE CD2 C -7.988 -0.628 2.507 1.00 . A A . 7 PHE CD2 1 1 4 1863 1 1 7 PHE CE1 C -8.244 -3.238 3.509 1.00 . A A . 7 PHE CE1 1 1 4 1864 1 1 7 PHE CE2 C -9.164 -1.353 2.276 1.00 . A A . 7 PHE CE2 1 1 4 1865 1 1 7 PHE CG C -6.941 -1.205 3.235 1.00 . A A . 7 PHE CG 1 1 4 1866 1 1 7 PHE CZ C -9.292 -2.662 2.775 1.00 . A A . 7 PHE CZ 1 1 4 1867 1 1 7 PHE H H -6.955 1.753 4.298 1.00 . A A . 7 PHE H 1 1 4 1868 1 1 7 PHE HA H -5.655 -0.595 5.612 1.00 . A A . 7 PHE HA 1 1 4 1869 1 1 7 PHE HB2 H -5.614 0.370 2.731 1.00 . A A . 7 PHE HB2 1 1 4 1870 1 1 7 PHE HB3 H -4.832 -1.090 3.350 1.00 . A A . 7 PHE HB3 1 1 4 1871 1 1 7 PHE HD1 H -6.260 -2.953 4.301 1.00 . A A . 7 PHE HD1 1 1 4 1872 1 1 7 PHE HD2 H -7.890 0.381 2.129 1.00 . A A . 7 PHE HD2 1 1 4 1873 1 1 7 PHE HE1 H -8.343 -4.241 3.897 1.00 . A A . 7 PHE HE1 1 1 4 1874 1 1 7 PHE HE2 H -9.970 -0.906 1.720 1.00 . A A . 7 PHE HE2 1 1 4 1875 1 1 7 PHE HZ H -10.198 -3.220 2.597 1.00 . A A . 7 PHE HZ 1 1 4 1876 1 1 7 PHE N N -6.726 1.118 5.054 1.00 . A A . 7 PHE N 1 1 4 1877 1 1 7 PHE O O -3.897 1.674 4.113 1.00 . A A . 7 PHE O 1 1 4 1878 1 1 8 LEU C C -1.198 0.549 6.032 1.00 . A A . 8 LEU C 1 1 4 1879 1 1 8 LEU CA C -2.361 1.457 6.433 1.00 . A A . 8 LEU CA 1 1 4 1880 1 1 8 LEU CB C -2.299 1.812 7.928 1.00 . A A . 8 LEU CB 1 1 4 1881 1 1 8 LEU CD1 C -1.504 3.492 9.603 1.00 . A A . 8 LEU CD1 1 1 4 1882 1 1 8 LEU CD2 C 0.128 2.512 7.987 1.00 . A A . 8 LEU CD2 1 1 4 1883 1 1 8 LEU CG C -1.321 2.976 8.174 1.00 . A A . 8 LEU CG 1 1 4 1884 1 1 8 LEU H H -3.994 0.162 6.867 1.00 . A A . 8 LEU H 1 1 4 1885 1 1 8 LEU HA H -2.314 2.376 5.849 1.00 . A A . 8 LEU HA 1 1 4 1886 1 1 8 LEU HB2 H -3.294 2.110 8.263 1.00 . A A . 8 LEU HB2 1 1 4 1887 1 1 8 LEU HB3 H -1.978 0.940 8.499 1.00 . A A . 8 LEU HB3 1 1 4 1888 1 1 8 LEU HD11 H -2.533 3.824 9.741 1.00 . A A . 8 LEU HD11 1 1 4 1889 1 1 8 LEU HD12 H -1.282 2.692 10.310 1.00 . A A . 8 LEU HD12 1 1 4 1890 1 1 8 LEU HD13 H -0.828 4.330 9.777 1.00 . A A . 8 LEU HD13 1 1 4 1891 1 1 8 LEU HD21 H 0.260 1.530 8.441 1.00 . A A . 8 LEU HD21 1 1 4 1892 1 1 8 LEU HD22 H 0.359 2.456 6.925 1.00 . A A . 8 LEU HD22 1 1 4 1893 1 1 8 LEU HD23 H 0.801 3.223 8.463 1.00 . A A . 8 LEU HD23 1 1 4 1894 1 1 8 LEU HG H -1.534 3.784 7.473 1.00 . A A . 8 LEU HG 1 1 4 1895 1 1 8 LEU N N -3.622 0.780 6.162 1.00 . A A . 8 LEU N 1 1 4 1896 1 1 8 LEU O O -0.989 -0.497 6.643 1.00 . A A . 8 LEU O 1 1 4 1897 1 1 9 CYS C C 1.816 0.226 5.607 1.00 . A A . 9 CYS C 1 1 4 1898 1 1 9 CYS CA C 0.716 0.182 4.552 1.00 . A A . 9 CYS CA 1 1 4 1899 1 1 9 CYS CB C 1.240 0.754 3.236 1.00 . A A . 9 CYS CB 1 1 4 1900 1 1 9 CYS H H -0.656 1.816 4.523 1.00 . A A . 9 CYS H 1 1 4 1901 1 1 9 CYS HA H 0.413 -0.855 4.391 1.00 . A A . 9 CYS HA 1 1 4 1902 1 1 9 CYS HB2 H 0.503 0.603 2.451 1.00 . A A . 9 CYS HB2 1 1 4 1903 1 1 9 CYS HB3 H 1.443 1.823 3.350 1.00 . A A . 9 CYS HB3 1 1 4 1904 1 1 9 CYS N N -0.436 0.952 5.005 1.00 . A A . 9 CYS N 1 1 4 1905 1 1 9 CYS O O 2.622 1.155 5.620 1.00 . A A . 9 CYS O 1 1 4 1906 1 1 9 CYS SG S 2.773 -0.122 2.811 1.00 . A A . 9 CYS SG 1 1 4 1907 1 1 10 THR C C 4.254 -0.952 6.874 1.00 . A A . 10 THR C 1 1 4 1908 1 1 10 THR CA C 2.870 -0.862 7.520 1.00 . A A . 10 THR CA 1 1 4 1909 1 1 10 THR CB C 2.595 -2.087 8.399 1.00 . A A . 10 THR CB 1 1 4 1910 1 1 10 THR CG2 C 3.438 -2.015 9.674 1.00 . A A . 10 THR CG2 1 1 4 1911 1 1 10 THR H H 1.162 -1.515 6.437 1.00 . A A . 10 THR H 1 1 4 1912 1 1 10 THR HA H 2.820 0.037 8.137 1.00 . A A . 10 THR HA 1 1 4 1913 1 1 10 THR HB H 2.847 -2.994 7.849 1.00 . A A . 10 THR HB 1 1 4 1914 1 1 10 THR HG1 H 0.997 -1.287 9.167 1.00 . A A . 10 THR HG1 1 1 4 1915 1 1 10 THR HG21 H 3.203 -1.099 10.216 1.00 . A A . 10 THR HG21 1 1 4 1916 1 1 10 THR HG22 H 3.218 -2.876 10.304 1.00 . A A . 10 THR HG22 1 1 4 1917 1 1 10 THR HG23 H 4.496 -2.020 9.411 1.00 . A A . 10 THR HG23 1 1 4 1918 1 1 10 THR N N 1.856 -0.780 6.485 1.00 . A A . 10 THR N 1 1 4 1919 1 1 10 THR O O 4.525 -1.882 6.114 1.00 . A A . 10 THR O 1 1 4 1920 1 1 10 THR OG1 O 1.225 -2.119 8.745 1.00 . A A . 10 THR OG1 1 1 4 1921 1 1 11 ALA C C 7.318 1.019 7.470 1.00 . A A . 11 ALA C 1 1 4 1922 1 1 11 ALA CA C 6.468 0.058 6.628 1.00 . A A . 11 ALA CA 1 1 4 1923 1 1 11 ALA CB C 6.396 0.506 5.161 1.00 . A A . 11 ALA CB 1 1 4 1924 1 1 11 ALA H H 4.845 0.763 7.800 1.00 . A A . 11 ALA H 1 1 4 1925 1 1 11 ALA HA H 6.902 -0.940 6.677 1.00 . A A . 11 ALA HA 1 1 4 1926 1 1 11 ALA HB1 H 5.552 1.182 5.024 1.00 . A A . 11 ALA HB1 1 1 4 1927 1 1 11 ALA HB2 H 7.314 1.017 4.886 1.00 . A A . 11 ALA HB2 1 1 4 1928 1 1 11 ALA HB3 H 6.263 -0.367 4.521 1.00 . A A . 11 ALA HB3 1 1 4 1929 1 1 11 ALA N N 5.123 0.019 7.173 1.00 . A A . 11 ALA N 1 1 4 1930 1 1 11 ALA O O 6.767 1.845 8.196 1.00 . A A . 11 ALA O 1 1 4 1931 1 1 12 PRO C C 9.470 3.216 7.656 1.00 . A A . 12 PRO C 1 1 4 1932 1 1 12 PRO CA C 9.560 1.769 8.145 1.00 . A A . 12 PRO CA 1 1 4 1933 1 1 12 PRO CB C 10.956 1.182 7.916 1.00 . A A . 12 PRO CB 1 1 4 1934 1 1 12 PRO CD C 9.349 -0.051 6.553 1.00 . A A . 12 PRO CD 1 1 4 1935 1 1 12 PRO CG C 10.833 0.284 6.685 1.00 . A A . 12 PRO CG 1 1 4 1936 1 1 12 PRO HA H 9.309 1.722 9.207 1.00 . A A . 12 PRO HA 1 1 4 1937 1 1 12 PRO HB2 H 11.684 1.975 7.741 1.00 . A A . 12 PRO HB2 1 1 4 1938 1 1 12 PRO HB3 H 11.253 0.587 8.781 1.00 . A A . 12 PRO HB3 1 1 4 1939 1 1 12 PRO HD2 H 9.037 0.040 5.517 1.00 . A A . 12 PRO HD2 1 1 4 1940 1 1 12 PRO HD3 H 9.162 -1.062 6.917 1.00 . A A . 12 PRO HD3 1 1 4 1941 1 1 12 PRO HG2 H 11.164 0.827 5.799 1.00 . A A . 12 PRO HG2 1 1 4 1942 1 1 12 PRO HG3 H 11.419 -0.624 6.813 1.00 . A A . 12 PRO HG3 1 1 4 1943 1 1 12 PRO N N 8.660 0.916 7.388 1.00 . A A . 12 PRO N 1 1 4 1944 1 1 12 PRO O O 8.849 4.054 8.304 1.00 . A A . 12 PRO O 1 1 4 1945 1 1 13 GLY C C 8.877 5.062 5.050 1.00 . A A . 13 GLY C 1 1 4 1946 1 1 13 GLY CA C 10.101 4.848 5.937 1.00 . A A . 13 GLY CA 1 1 4 1947 1 1 13 GLY H H 10.586 2.779 6.007 1.00 . A A . 13 GLY H 1 1 4 1948 1 1 13 GLY HA2 H 10.094 5.583 6.744 1.00 . A A . 13 GLY HA2 1 1 4 1949 1 1 13 GLY HA3 H 11.003 4.981 5.341 1.00 . A A . 13 GLY HA3 1 1 4 1950 1 1 13 GLY N N 10.095 3.506 6.504 1.00 . A A . 13 GLY N 1 1 4 1951 1 1 13 GLY O O 8.964 5.727 4.021 1.00 . A A . 13 GLY O 1 1 4 1952 1 1 14 CYS C C 5.317 4.232 5.563 1.00 . A A . 14 CYS C 1 1 4 1953 1 1 14 CYS CA C 6.497 4.643 4.693 1.00 . A A . 14 CYS CA 1 1 4 1954 1 1 14 CYS CB C 6.573 3.773 3.436 1.00 . A A . 14 CYS CB 1 1 4 1955 1 1 14 CYS H H 7.716 3.951 6.302 1.00 . A A . 14 CYS H 1 1 4 1956 1 1 14 CYS HA H 6.376 5.686 4.398 1.00 . A A . 14 CYS HA 1 1 4 1957 1 1 14 CYS HB2 H 7.257 4.226 2.718 1.00 . A A . 14 CYS HB2 1 1 4 1958 1 1 14 CYS HB3 H 6.930 2.782 3.702 1.00 . A A . 14 CYS HB3 1 1 4 1959 1 1 14 CYS N N 7.734 4.498 5.449 1.00 . A A . 14 CYS N 1 1 4 1960 1 1 14 CYS O O 5.406 3.262 6.301 1.00 . A A . 14 CYS O 1 1 4 1961 1 1 14 CYS SG S 4.926 3.638 2.699 1.00 . A A . 14 CYS SG 1 1 4 1962 1 1 15 GLY C C 1.794 5.301 5.600 1.00 . A A . 15 GLY C 1 1 4 1963 1 1 15 GLY CA C 3.017 4.667 6.247 1.00 . A A . 15 GLY CA 1 1 4 1964 1 1 15 GLY H H 4.181 5.767 4.845 1.00 . A A . 15 GLY H 1 1 4 1965 1 1 15 GLY HA2 H 2.878 3.588 6.294 1.00 . A A . 15 GLY HA2 1 1 4 1966 1 1 15 GLY HA3 H 3.135 5.059 7.258 1.00 . A A . 15 GLY HA3 1 1 4 1967 1 1 15 GLY N N 4.206 4.971 5.471 1.00 . A A . 15 GLY N 1 1 4 1968 1 1 15 GLY O O 0.988 5.928 6.282 1.00 . A A . 15 GLY O 1 1 4 1969 1 1 16 GLN C C -0.696 4.833 3.768 1.00 . A A . 16 GLN C 1 1 4 1970 1 1 16 GLN CA C 0.534 5.704 3.555 1.00 . A A . 16 GLN CA 1 1 4 1971 1 1 16 GLN CB C 0.878 5.825 2.065 1.00 . A A . 16 GLN CB 1 1 4 1972 1 1 16 GLN CD C 3.232 6.784 2.001 1.00 . A A . 16 GLN CD 1 1 4 1973 1 1 16 GLN CG C 1.742 7.075 1.816 1.00 . A A . 16 GLN CG 1 1 4 1974 1 1 16 GLN H H 2.339 4.610 3.757 1.00 . A A . 16 GLN H 1 1 4 1975 1 1 16 GLN HA H 0.328 6.695 3.950 1.00 . A A . 16 GLN HA 1 1 4 1976 1 1 16 GLN HB2 H 1.417 4.936 1.739 1.00 . A A . 16 GLN HB2 1 1 4 1977 1 1 16 GLN HB3 H -0.045 5.915 1.492 1.00 . A A . 16 GLN HB3 1 1 4 1978 1 1 16 GLN HE21 H 4.973 6.606 0.967 1.00 . A A . 16 GLN HE21 1 1 4 1979 1 1 16 GLN HE22 H 3.557 6.942 -0.001 1.00 . A A . 16 GLN HE22 1 1 4 1980 1 1 16 GLN HG2 H 1.575 7.421 0.795 1.00 . A A . 16 GLN HG2 1 1 4 1981 1 1 16 GLN HG3 H 1.445 7.863 2.508 1.00 . A A . 16 GLN HG3 1 1 4 1982 1 1 16 GLN N N 1.654 5.139 4.277 1.00 . A A . 16 GLN N 1 1 4 1983 1 1 16 GLN NE2 N 3.982 6.775 0.899 1.00 . A A . 16 GLN NE2 1 1 4 1984 1 1 16 GLN O O -0.580 3.612 3.909 1.00 . A A . 16 GLN O 1 1 4 1985 1 1 16 GLN OE1 O 3.698 6.573 3.119 1.00 . A A . 16 GLN OE1 1 1 4 1986 1 1 17 ARG C C -4.090 5.093 2.884 1.00 . A A . 17 ARG C 1 1 4 1987 1 1 17 ARG CA C -3.131 4.780 4.020 1.00 . A A . 17 ARG CA 1 1 4 1988 1 1 17 ARG CB C -3.715 5.209 5.372 1.00 . A A . 17 ARG CB 1 1 4 1989 1 1 17 ARG CD C -6.223 5.399 5.348 1.00 . A A . 17 ARG CD 1 1 4 1990 1 1 17 ARG CG C -5.040 4.475 5.645 1.00 . A A . 17 ARG CG 1 1 4 1991 1 1 17 ARG CZ C -7.657 6.978 6.589 1.00 . A A . 17 ARG CZ 1 1 4 1992 1 1 17 ARG H H -1.898 6.469 3.657 1.00 . A A . 17 ARG H 1 1 4 1993 1 1 17 ARG HA H -2.945 3.715 4.040 1.00 . A A . 17 ARG HA 1 1 4 1994 1 1 17 ARG HB2 H -3.004 4.967 6.158 1.00 . A A . 17 ARG HB2 1 1 4 1995 1 1 17 ARG HB3 H -3.888 6.285 5.365 1.00 . A A . 17 ARG HB3 1 1 4 1996 1 1 17 ARG HD2 H -5.976 6.052 4.511 1.00 . A A . 17 ARG HD2 1 1 4 1997 1 1 17 ARG HD3 H -7.089 4.791 5.082 1.00 . A A . 17 ARG HD3 1 1 4 1998 1 1 17 ARG HE H -5.917 6.193 7.304 1.00 . A A . 17 ARG HE 1 1 4 1999 1 1 17 ARG HG2 H -5.108 3.590 5.014 1.00 . A A . 17 ARG HG2 1 1 4 2000 1 1 17 ARG HG3 H -5.074 4.168 6.690 1.00 . A A . 17 ARG HG3 1 1 4 2001 1 1 17 ARG HH11 H -8.041 6.914 4.588 1.00 . A A . 17 ARG HH11 1 1 4 2002 1 1 17 ARG HH12 H -9.249 7.734 5.562 1.00 . A A . 17 ARG HH12 1 1 4 2003 1 1 17 ARG HH21 H -7.474 7.373 8.581 1.00 . A A . 17 ARG HH21 1 1 4 2004 1 1 17 ARG HH22 H -8.934 7.981 7.821 1.00 . A A . 17 ARG HH22 1 1 4 2005 1 1 17 ARG N N -1.873 5.471 3.795 1.00 . A A . 17 ARG N 1 1 4 2006 1 1 17 ARG NE N -6.554 6.217 6.520 1.00 . A A . 17 ARG NE 1 1 4 2007 1 1 17 ARG NH1 N -8.371 7.227 5.488 1.00 . A A . 17 ARG NH1 1 1 4 2008 1 1 17 ARG NH2 N -8.051 7.485 7.760 1.00 . A A . 17 ARG NH2 1 1 4 2009 1 1 17 ARG O O -4.047 6.183 2.314 1.00 . A A . 17 ARG O 1 1 4 2010 1 1 18 PHE C C -7.264 3.718 1.900 1.00 . A A . 18 PHE C 1 1 4 2011 1 1 18 PHE CA C -5.908 4.272 1.472 1.00 . A A . 18 PHE CA 1 1 4 2012 1 1 18 PHE CB C -5.380 3.535 0.239 1.00 . A A . 18 PHE CB 1 1 4 2013 1 1 18 PHE CD1 C -2.927 3.105 0.708 1.00 . A A . 18 PHE CD1 1 1 4 2014 1 1 18 PHE CD2 C -3.519 4.748 -0.987 1.00 . A A . 18 PHE CD2 1 1 4 2015 1 1 18 PHE CE1 C -1.567 3.362 0.485 1.00 . A A . 18 PHE CE1 1 1 4 2016 1 1 18 PHE CE2 C -2.155 5.003 -1.211 1.00 . A A . 18 PHE CE2 1 1 4 2017 1 1 18 PHE CG C -3.908 3.798 -0.026 1.00 . A A . 18 PHE CG 1 1 4 2018 1 1 18 PHE CZ C -1.179 4.310 -0.472 1.00 . A A . 18 PHE CZ 1 1 4 2019 1 1 18 PHE H H -4.942 3.253 3.067 1.00 . A A . 18 PHE H 1 1 4 2020 1 1 18 PHE HA H -6.020 5.329 1.231 1.00 . A A . 18 PHE HA 1 1 4 2021 1 1 18 PHE HB2 H -5.522 2.463 0.382 1.00 . A A . 18 PHE HB2 1 1 4 2022 1 1 18 PHE HB3 H -5.957 3.852 -0.629 1.00 . A A . 18 PHE HB3 1 1 4 2023 1 1 18 PHE HD1 H -3.224 2.384 1.455 1.00 . A A . 18 PHE HD1 1 1 4 2024 1 1 18 PHE HD2 H -4.267 5.288 -1.549 1.00 . A A . 18 PHE HD2 1 1 4 2025 1 1 18 PHE HE1 H -0.817 2.834 1.055 1.00 . A A . 18 PHE HE1 1 1 4 2026 1 1 18 PHE HE2 H -1.856 5.735 -1.947 1.00 . A A . 18 PHE HE2 1 1 4 2027 1 1 18 PHE HZ H -0.133 4.510 -0.636 1.00 . A A . 18 PHE HZ 1 1 4 2028 1 1 18 PHE N N -4.953 4.126 2.554 1.00 . A A . 18 PHE N 1 1 4 2029 1 1 18 PHE O O -7.351 2.957 2.864 1.00 . A A . 18 PHE O 1 1 4 2030 1 1 19 THR C C -9.960 2.314 0.859 1.00 . A A . 19 THR C 1 1 4 2031 1 1 19 THR CA C -9.677 3.684 1.476 1.00 . A A . 19 THR CA 1 1 4 2032 1 1 19 THR CB C -10.653 4.726 0.922 1.00 . A A . 19 THR CB 1 1 4 2033 1 1 19 THR CG2 C -10.537 6.024 1.723 1.00 . A A . 19 THR CG2 1 1 4 2034 1 1 19 THR H H -8.180 4.735 0.395 1.00 . A A . 19 THR H 1 1 4 2035 1 1 19 THR HA H -9.804 3.618 2.558 1.00 . A A . 19 THR HA 1 1 4 2036 1 1 19 THR HB H -11.673 4.343 0.998 1.00 . A A . 19 THR HB 1 1 4 2037 1 1 19 THR HG1 H -11.040 5.535 -0.803 1.00 . A A . 19 THR HG1 1 1 4 2038 1 1 19 THR HG21 H -10.713 5.817 2.778 1.00 . A A . 19 THR HG21 1 1 4 2039 1 1 19 THR HG22 H -9.540 6.444 1.597 1.00 . A A . 19 THR HG22 1 1 4 2040 1 1 19 THR HG23 H -11.280 6.738 1.366 1.00 . A A . 19 THR HG23 1 1 4 2041 1 1 19 THR N N -8.318 4.112 1.179 1.00 . A A . 19 THR N 1 1 4 2042 1 1 19 THR O O -10.846 1.602 1.327 1.00 . A A . 19 THR O 1 1 4 2043 1 1 19 THR OG1 O -10.346 4.984 -0.432 1.00 . A A . 19 THR OG1 1 1 4 2044 1 1 20 ASN C C -8.129 -0.136 -0.798 1.00 . A A . 20 ASN C 1 1 4 2045 1 1 20 ASN CA C -9.401 0.686 -0.889 1.00 . A A . 20 ASN CA 1 1 4 2046 1 1 20 ASN CB C -9.739 0.943 -2.361 1.00 . A A . 20 ASN CB 1 1 4 2047 1 1 20 ASN CG C -11.084 1.642 -2.529 1.00 . A A . 20 ASN CG 1 1 4 2048 1 1 20 ASN H H -8.491 2.569 -0.532 1.00 . A A . 20 ASN H 1 1 4 2049 1 1 20 ASN HA H -10.217 0.132 -0.427 1.00 . A A . 20 ASN HA 1 1 4 2050 1 1 20 ASN HB2 H -8.959 1.564 -2.800 1.00 . A A . 20 ASN HB2 1 1 4 2051 1 1 20 ASN HB3 H -9.770 -0.010 -2.888 1.00 . A A . 20 ASN HB3 1 1 4 2052 1 1 20 ASN HD21 H -10.747 1.857 -4.521 1.00 . A A . 20 ASN HD21 1 1 4 2053 1 1 20 ASN HD22 H -12.267 2.502 -3.938 1.00 . A A . 20 ASN HD22 1 1 4 2054 1 1 20 ASN N N -9.212 1.952 -0.197 1.00 . A A . 20 ASN N 1 1 4 2055 1 1 20 ASN ND2 N -11.391 2.033 -3.762 1.00 . A A . 20 ASN ND2 1 1 4 2056 1 1 20 ASN O O -7.026 0.415 -0.770 1.00 . A A . 20 ASN O 1 1 4 2057 1 1 20 ASN OD1 O -11.829 1.823 -1.570 1.00 . A A . 20 ASN OD1 1 1 4 2058 1 1 21 GLU C C -6.439 -2.358 -2.075 1.00 . A A . 21 GLU C 1 1 4 2059 1 1 21 GLU CA C -7.153 -2.362 -0.718 1.00 . A A . 21 GLU CA 1 1 4 2060 1 1 21 GLU CB C -7.622 -3.779 -0.335 1.00 . A A . 21 GLU CB 1 1 4 2061 1 1 21 GLU CD C -10.156 -3.837 -0.445 1.00 . A A . 21 GLU CD 1 1 4 2062 1 1 21 GLU CG C -8.853 -4.200 -1.159 1.00 . A A . 21 GLU CG 1 1 4 2063 1 1 21 GLU H H -9.214 -1.851 -0.782 1.00 . A A . 21 GLU H 1 1 4 2064 1 1 21 GLU HA H -6.456 -2.006 0.042 1.00 . A A . 21 GLU HA 1 1 4 2065 1 1 21 GLU HB2 H -6.810 -4.484 -0.520 1.00 . A A . 21 GLU HB2 1 1 4 2066 1 1 21 GLU HB3 H -7.874 -3.800 0.724 1.00 . A A . 21 GLU HB3 1 1 4 2067 1 1 21 GLU HG2 H -8.827 -3.710 -2.131 1.00 . A A . 21 GLU HG2 1 1 4 2068 1 1 21 GLU HG3 H -8.826 -5.280 -1.308 1.00 . A A . 21 GLU HG3 1 1 4 2069 1 1 21 GLU N N -8.283 -1.458 -0.766 1.00 . A A . 21 GLU N 1 1 4 2070 1 1 21 GLU O O -5.272 -2.733 -2.165 1.00 . A A . 21 GLU O 1 1 4 2071 1 1 21 GLU OE1 O -10.563 -4.620 0.442 1.00 . A A . 21 GLU OE1 1 1 4 2072 1 1 21 GLU OE2 O -10.724 -2.780 -0.798 1.00 . A A . 21 GLU OE2 1 1 4 2073 1 1 22 ASP C C -5.411 -0.880 -4.479 1.00 . A A . 22 ASP C 1 1 4 2074 1 1 22 ASP CA C -6.591 -1.840 -4.468 1.00 . A A . 22 ASP CA 1 1 4 2075 1 1 22 ASP CB C -7.680 -1.336 -5.411 1.00 . A A . 22 ASP CB 1 1 4 2076 1 1 22 ASP CG C -7.093 -0.910 -6.753 1.00 . A A . 22 ASP CG 1 1 4 2077 1 1 22 ASP H H -8.106 -1.630 -2.995 1.00 . A A . 22 ASP H 1 1 4 2078 1 1 22 ASP HA H -6.260 -2.829 -4.789 1.00 . A A . 22 ASP HA 1 1 4 2079 1 1 22 ASP HB2 H -8.412 -2.127 -5.573 1.00 . A A . 22 ASP HB2 1 1 4 2080 1 1 22 ASP HB3 H -8.175 -0.479 -4.954 1.00 . A A . 22 ASP HB3 1 1 4 2081 1 1 22 ASP N N -7.147 -1.922 -3.128 1.00 . A A . 22 ASP N 1 1 4 2082 1 1 22 ASP O O -4.359 -1.178 -5.041 1.00 . A A . 22 ASP O 1 1 4 2083 1 1 22 ASP OD1 O -6.987 -1.791 -7.632 1.00 . A A . 22 ASP OD1 1 1 4 2084 1 1 22 ASP OD2 O -6.759 0.291 -6.870 1.00 . A A . 22 ASP OD2 1 1 4 2085 1 1 23 HIS C C -3.400 0.824 -2.980 1.00 . A A . 23 HIS C 1 1 4 2086 1 1 23 HIS CA C -4.575 1.304 -3.822 1.00 . A A . 23 HIS CA 1 1 4 2087 1 1 23 HIS CB C -5.170 2.590 -3.252 1.00 . A A . 23 HIS CB 1 1 4 2088 1 1 23 HIS CD2 C -7.498 3.803 -3.499 1.00 . A A . 23 HIS CD2 1 1 4 2089 1 1 23 HIS CE1 C -8.077 3.063 -5.412 1.00 . A A . 23 HIS CE1 1 1 4 2090 1 1 23 HIS CG C -6.475 2.984 -3.906 1.00 . A A . 23 HIS CG 1 1 4 2091 1 1 23 HIS H H -6.475 0.464 -3.397 1.00 . A A . 23 HIS H 1 1 4 2092 1 1 23 HIS HA H -4.228 1.489 -4.838 1.00 . A A . 23 HIS HA 1 1 4 2093 1 1 23 HIS HB2 H -5.344 2.448 -2.188 1.00 . A A . 23 HIS HB2 1 1 4 2094 1 1 23 HIS HB3 H -4.452 3.400 -3.386 1.00 . A A . 23 HIS HB3 1 1 4 2095 1 1 23 HIS HD1 H -6.365 1.871 -5.756 1.00 . A A . 23 HIS HD1 1 1 4 2096 1 1 23 HIS HD2 H -7.509 4.332 -2.559 1.00 . A A . 23 HIS HD2 1 1 4 2097 1 1 23 HIS HE1 H -8.633 2.872 -6.318 1.00 . A A . 23 HIS HE1 1 1 4 2098 1 1 23 HIS N N -5.597 0.281 -3.858 1.00 . A A . 23 HIS N 1 1 4 2099 1 1 23 HIS ND1 N -6.875 2.510 -5.155 1.00 . A A . 23 HIS ND1 1 1 4 2100 1 1 23 HIS NE2 N -8.515 3.862 -4.439 1.00 . A A . 23 HIS NE2 1 1 4 2101 1 1 23 HIS O O -2.257 1.197 -3.233 1.00 . A A . 23 HIS O 1 1 4 2102 1 1 24 LEU C C -1.860 -1.617 -1.926 1.00 . A A . 24 LEU C 1 1 4 2103 1 1 24 LEU CA C -2.642 -0.570 -1.133 1.00 . A A . 24 LEU CA 1 1 4 2104 1 1 24 LEU CB C -3.267 -1.197 0.114 1.00 . A A . 24 LEU CB 1 1 4 2105 1 1 24 LEU CD1 C -2.178 -0.125 2.102 1.00 . A A . 24 LEU CD1 1 1 4 2106 1 1 24 LEU CD2 C -2.524 -2.594 2.065 1.00 . A A . 24 LEU CD2 1 1 4 2107 1 1 24 LEU CG C -2.198 -1.365 1.214 1.00 . A A . 24 LEU CG 1 1 4 2108 1 1 24 LEU H H -4.646 -0.286 -1.809 1.00 . A A . 24 LEU H 1 1 4 2109 1 1 24 LEU HA H -1.967 0.229 -0.829 1.00 . A A . 24 LEU HA 1 1 4 2110 1 1 24 LEU HB2 H -4.068 -0.553 0.480 1.00 . A A . 24 LEU HB2 1 1 4 2111 1 1 24 LEU HB3 H -3.684 -2.171 -0.145 1.00 . A A . 24 LEU HB3 1 1 4 2112 1 1 24 LEU HD11 H -3.196 0.153 2.360 1.00 . A A . 24 LEU HD11 1 1 4 2113 1 1 24 LEU HD12 H -1.620 -0.338 3.011 1.00 . A A . 24 LEU HD12 1 1 4 2114 1 1 24 LEU HD13 H -1.702 0.694 1.569 1.00 . A A . 24 LEU HD13 1 1 4 2115 1 1 24 LEU HD21 H -3.545 -2.521 2.436 1.00 . A A . 24 LEU HD21 1 1 4 2116 1 1 24 LEU HD22 H -2.423 -3.494 1.457 1.00 . A A . 24 LEU HD22 1 1 4 2117 1 1 24 LEU HD23 H -1.836 -2.648 2.909 1.00 . A A . 24 LEU HD23 1 1 4 2118 1 1 24 LEU HG H -1.211 -1.491 0.763 1.00 . A A . 24 LEU HG 1 1 4 2119 1 1 24 LEU N N -3.683 -0.016 -1.980 1.00 . A A . 24 LEU N 1 1 4 2120 1 1 24 LEU O O -0.663 -1.774 -1.724 1.00 . A A . 24 LEU O 1 1 4 2121 1 1 25 ALA C C -0.841 -2.754 -4.530 1.00 . A A . 25 ALA C 1 1 4 2122 1 1 25 ALA CA C -1.928 -3.360 -3.644 1.00 . A A . 25 ALA CA 1 1 4 2123 1 1 25 ALA CB C -2.998 -4.046 -4.495 1.00 . A A . 25 ALA CB 1 1 4 2124 1 1 25 ALA H H -3.539 -2.156 -2.952 1.00 . A A . 25 ALA H 1 1 4 2125 1 1 25 ALA HA H -1.474 -4.103 -2.986 1.00 . A A . 25 ALA HA 1 1 4 2126 1 1 25 ALA HB1 H -3.803 -4.401 -3.850 1.00 . A A . 25 ALA HB1 1 1 4 2127 1 1 25 ALA HB2 H -3.399 -3.338 -5.218 1.00 . A A . 25 ALA HB2 1 1 4 2128 1 1 25 ALA HB3 H -2.557 -4.891 -5.022 1.00 . A A . 25 ALA HB3 1 1 4 2129 1 1 25 ALA N N -2.548 -2.330 -2.827 1.00 . A A . 25 ALA N 1 1 4 2130 1 1 25 ALA O O 0.307 -3.180 -4.469 1.00 . A A . 25 ALA O 1 1 4 2131 1 1 26 VAL C C 0.865 -0.444 -5.447 1.00 . A A . 26 VAL C 1 1 4 2132 1 1 26 VAL CA C -0.244 -1.120 -6.257 1.00 . A A . 26 VAL CA 1 1 4 2133 1 1 26 VAL CB C -0.964 -0.105 -7.169 1.00 . A A . 26 VAL CB 1 1 4 2134 1 1 26 VAL CG1 C -2.011 -0.830 -8.019 1.00 . A A . 26 VAL CG1 1 1 4 2135 1 1 26 VAL CG2 C -1.651 0.989 -6.338 1.00 . A A . 26 VAL CG2 1 1 4 2136 1 1 26 VAL H H -2.164 -1.445 -5.367 1.00 . A A . 26 VAL H 1 1 4 2137 1 1 26 VAL HA H 0.207 -1.888 -6.885 1.00 . A A . 26 VAL HA 1 1 4 2138 1 1 26 VAL HB H -0.231 0.359 -7.830 1.00 . A A . 26 VAL HB 1 1 4 2139 1 1 26 VAL HG11 H -1.538 -1.649 -8.561 1.00 . A A . 26 VAL HG11 1 1 4 2140 1 1 26 VAL HG12 H -2.796 -1.228 -7.375 1.00 . A A . 26 VAL HG12 1 1 4 2141 1 1 26 VAL HG13 H -2.449 -0.132 -8.731 1.00 . A A . 26 VAL HG13 1 1 4 2142 1 1 26 VAL HG21 H -2.304 0.531 -5.600 1.00 . A A . 26 VAL HG21 1 1 4 2143 1 1 26 VAL HG22 H -0.901 1.598 -5.832 1.00 . A A . 26 VAL HG22 1 1 4 2144 1 1 26 VAL HG23 H -2.244 1.624 -6.996 1.00 . A A . 26 VAL HG23 1 1 4 2145 1 1 26 VAL N N -1.203 -1.762 -5.356 1.00 . A A . 26 VAL N 1 1 4 2146 1 1 26 VAL O O 2.036 -0.501 -5.822 1.00 . A A . 26 VAL O 1 1 4 2147 1 1 27 HIS C C 2.449 -0.112 -2.901 1.00 . A A . 27 HIS C 1 1 4 2148 1 1 27 HIS CA C 1.435 0.883 -3.476 1.00 . A A . 27 HIS CA 1 1 4 2149 1 1 27 HIS CB C 0.644 1.578 -2.368 1.00 . A A . 27 HIS CB 1 1 4 2150 1 1 27 HIS CD2 C 1.807 1.640 -0.029 1.00 . A A . 27 HIS CD2 1 1 4 2151 1 1 27 HIS CE1 C 2.839 3.493 -0.204 1.00 . A A . 27 HIS CE1 1 1 4 2152 1 1 27 HIS CG C 1.506 2.118 -1.271 1.00 . A A . 27 HIS CG 1 1 4 2153 1 1 27 HIS H H -0.487 0.206 -4.075 1.00 . A A . 27 HIS H 1 1 4 2154 1 1 27 HIS HA H 1.967 1.636 -4.059 1.00 . A A . 27 HIS HA 1 1 4 2155 1 1 27 HIS HB2 H 0.075 2.399 -2.805 1.00 . A A . 27 HIS HB2 1 1 4 2156 1 1 27 HIS HB3 H -0.053 0.861 -1.936 1.00 . A A . 27 HIS HB3 1 1 4 2157 1 1 27 HIS HD1 H 2.191 3.950 -2.161 1.00 . A A . 27 HIS HD1 1 1 4 2158 1 1 27 HIS HD2 H 1.432 0.706 0.365 1.00 . A A . 27 HIS HD2 1 1 4 2159 1 1 27 HIS HE1 H 3.456 4.352 0.007 1.00 . A A . 27 HIS HE1 1 1 4 2160 1 1 27 HIS N N 0.491 0.194 -4.337 1.00 . A A . 27 HIS N 1 1 4 2161 1 1 27 HIS ND1 N 2.188 3.323 -1.370 1.00 . A A . 27 HIS ND1 1 1 4 2162 1 1 27 HIS NE2 N 2.645 2.499 0.665 1.00 . A A . 27 HIS NE2 1 1 4 2163 1 1 27 HIS O O 3.648 0.161 -2.884 1.00 . A A . 27 HIS O 1 1 4 2164 1 1 28 LYS C C 3.674 -2.920 -2.959 1.00 . A A . 28 LYS C 1 1 4 2165 1 1 28 LYS CA C 2.810 -2.296 -1.861 1.00 . A A . 28 LYS CA 1 1 4 2166 1 1 28 LYS CB C 1.924 -3.353 -1.182 1.00 . A A . 28 LYS CB 1 1 4 2167 1 1 28 LYS CD C 3.326 -3.793 0.864 1.00 . A A . 28 LYS CD 1 1 4 2168 1 1 28 LYS CE C 4.832 -4.051 0.976 1.00 . A A . 28 LYS CE 1 1 4 2169 1 1 28 LYS CG C 2.788 -4.384 -0.450 1.00 . A A . 28 LYS CG 1 1 4 2170 1 1 28 LYS H H 0.966 -1.434 -2.470 1.00 . A A . 28 LYS H 1 1 4 2171 1 1 28 LYS HA H 3.460 -1.846 -1.114 1.00 . A A . 28 LYS HA 1 1 4 2172 1 1 28 LYS HB2 H 1.260 -2.866 -0.468 1.00 . A A . 28 LYS HB2 1 1 4 2173 1 1 28 LYS HB3 H 1.324 -3.859 -1.940 1.00 . A A . 28 LYS HB3 1 1 4 2174 1 1 28 LYS HD2 H 3.143 -2.719 0.883 1.00 . A A . 28 LYS HD2 1 1 4 2175 1 1 28 LYS HD3 H 2.813 -4.259 1.707 1.00 . A A . 28 LYS HD3 1 1 4 2176 1 1 28 LYS HE2 H 5.339 -3.589 0.129 1.00 . A A . 28 LYS HE2 1 1 4 2177 1 1 28 LYS HE3 H 5.204 -3.604 1.900 1.00 . A A . 28 LYS HE3 1 1 4 2178 1 1 28 LYS HG2 H 2.182 -5.262 -0.225 1.00 . A A . 28 LYS HG2 1 1 4 2179 1 1 28 LYS HG3 H 3.618 -4.676 -1.088 1.00 . A A . 28 LYS HG3 1 1 4 2180 1 1 28 LYS HZ1 H 4.735 -5.929 0.158 1.00 . A A . 28 LYS HZ1 1 1 4 2181 1 1 28 LYS HZ2 H 6.137 -5.630 0.977 1.00 . A A . 28 LYS HZ2 1 1 4 2182 1 1 28 LYS HZ3 H 4.740 -5.920 1.813 1.00 . A A . 28 LYS HZ3 1 1 4 2183 1 1 28 LYS N N 1.961 -1.264 -2.431 1.00 . A A . 28 LYS N 1 1 4 2184 1 1 28 LYS NZ N 5.132 -5.495 0.986 1.00 . A A . 28 LYS NZ 1 1 4 2185 1 1 28 LYS O O 4.857 -3.172 -2.748 1.00 . A A . 28 LYS O 1 1 4 2186 1 1 29 HIS C C 4.991 -2.847 -5.610 1.00 . A A . 29 HIS C 1 1 4 2187 1 1 29 HIS CA C 3.800 -3.736 -5.256 1.00 . A A . 29 HIS CA 1 1 4 2188 1 1 29 HIS CB C 2.845 -3.878 -6.447 1.00 . A A . 29 HIS CB 1 1 4 2189 1 1 29 HIS CD2 C 3.260 -4.414 -8.992 1.00 . A A . 29 HIS CD2 1 1 4 2190 1 1 29 HIS CE1 C 4.832 -5.839 -8.792 1.00 . A A . 29 HIS CE1 1 1 4 2191 1 1 29 HIS CG C 3.486 -4.535 -7.644 1.00 . A A . 29 HIS CG 1 1 4 2192 1 1 29 HIS H H 2.104 -2.938 -4.252 1.00 . A A . 29 HIS H 1 1 4 2193 1 1 29 HIS HA H 4.164 -4.724 -4.973 1.00 . A A . 29 HIS HA 1 1 4 2194 1 1 29 HIS HB2 H 1.988 -4.477 -6.139 1.00 . A A . 29 HIS HB2 1 1 4 2195 1 1 29 HIS HB3 H 2.495 -2.888 -6.738 1.00 . A A . 29 HIS HB3 1 1 4 2196 1 1 29 HIS HD1 H 4.938 -5.801 -6.683 1.00 . A A . 29 HIS HD1 1 1 4 2197 1 1 29 HIS HD2 H 2.515 -3.763 -9.426 1.00 . A A . 29 HIS HD2 1 1 4 2198 1 1 29 HIS HE1 H 5.604 -6.560 -9.018 1.00 . A A . 29 HIS HE1 1 1 4 2199 1 1 29 HIS N N 3.081 -3.161 -4.131 1.00 . A A . 29 HIS N 1 1 4 2200 1 1 29 HIS ND1 N 4.513 -5.467 -7.537 1.00 . A A . 29 HIS ND1 1 1 4 2201 1 1 29 HIS NE2 N 4.102 -5.233 -9.729 1.00 . A A . 29 HIS NE2 1 1 4 2202 1 1 29 HIS O O 6.078 -3.348 -5.891 1.00 . A A . 29 HIS O 1 1 4 2203 1 1 30 LYS C C 7.009 -0.763 -4.918 1.00 . A A . 30 LYS C 1 1 4 2204 1 1 30 LYS CA C 5.838 -0.569 -5.886 1.00 . A A . 30 LYS CA 1 1 4 2205 1 1 30 LYS CB C 5.279 0.853 -5.788 1.00 . A A . 30 LYS CB 1 1 4 2206 1 1 30 LYS CD C 5.683 3.256 -6.431 1.00 . A A . 30 LYS CD 1 1 4 2207 1 1 30 LYS CE C 5.204 3.723 -5.048 1.00 . A A . 30 LYS CE 1 1 4 2208 1 1 30 LYS CG C 6.299 1.849 -6.352 1.00 . A A . 30 LYS CG 1 1 4 2209 1 1 30 LYS H H 3.863 -1.165 -5.356 1.00 . A A . 30 LYS H 1 1 4 2210 1 1 30 LYS HA H 6.189 -0.740 -6.904 1.00 . A A . 30 LYS HA 1 1 4 2211 1 1 30 LYS HB2 H 4.354 0.919 -6.362 1.00 . A A . 30 LYS HB2 1 1 4 2212 1 1 30 LYS HB3 H 5.076 1.088 -4.745 1.00 . A A . 30 LYS HB3 1 1 4 2213 1 1 30 LYS HD2 H 6.432 3.953 -6.808 1.00 . A A . 30 LYS HD2 1 1 4 2214 1 1 30 LYS HD3 H 4.835 3.239 -7.118 1.00 . A A . 30 LYS HD3 1 1 4 2215 1 1 30 LYS HE2 H 4.910 4.771 -5.113 1.00 . A A . 30 LYS HE2 1 1 4 2216 1 1 30 LYS HE3 H 4.339 3.132 -4.747 1.00 . A A . 30 LYS HE3 1 1 4 2217 1 1 30 LYS HG2 H 7.182 1.871 -5.714 1.00 . A A . 30 LYS HG2 1 1 4 2218 1 1 30 LYS HG3 H 6.591 1.533 -7.354 1.00 . A A . 30 LYS HG3 1 1 4 2219 1 1 30 LYS HZ1 H 7.088 4.087 -4.333 1.00 . A A . 30 LYS HZ1 1 1 4 2220 1 1 30 LYS HZ2 H 5.940 3.961 -3.154 1.00 . A A . 30 LYS HZ2 1 1 4 2221 1 1 30 LYS HZ3 H 6.493 2.606 -3.915 1.00 . A A . 30 LYS HZ3 1 1 4 2222 1 1 30 LYS N N 4.782 -1.523 -5.588 1.00 . A A . 30 LYS N 1 1 4 2223 1 1 30 LYS NZ N 6.265 3.584 -4.033 1.00 . A A . 30 LYS NZ 1 1 4 2224 1 1 30 LYS O O 8.163 -0.700 -5.330 1.00 . A A . 30 LYS O 1 1 4 2225 1 1 31 HIS C C 8.488 -2.522 -2.941 1.00 . A A . 31 HIS C 1 1 4 2226 1 1 31 HIS CA C 7.747 -1.225 -2.631 1.00 . A A . 31 HIS CA 1 1 4 2227 1 1 31 HIS CB C 7.123 -1.283 -1.235 1.00 . A A . 31 HIS CB 1 1 4 2228 1 1 31 HIS CD2 C 5.453 0.547 -0.342 1.00 . A A . 31 HIS CD2 1 1 4 2229 1 1 31 HIS CE1 C 6.820 2.170 -0.137 1.00 . A A . 31 HIS CE1 1 1 4 2230 1 1 31 HIS CG C 6.673 0.064 -0.742 1.00 . A A . 31 HIS CG 1 1 4 2231 1 1 31 HIS H H 5.743 -1.041 -3.341 1.00 . A A . 31 HIS H 1 1 4 2232 1 1 31 HIS HA H 8.457 -0.398 -2.667 1.00 . A A . 31 HIS HA 1 1 4 2233 1 1 31 HIS HB2 H 6.268 -1.953 -1.258 1.00 . A A . 31 HIS HB2 1 1 4 2234 1 1 31 HIS HB3 H 7.861 -1.681 -0.538 1.00 . A A . 31 HIS HB3 1 1 4 2235 1 1 31 HIS HD1 H 8.537 1.137 -0.802 1.00 . A A . 31 HIS HD1 1 1 4 2236 1 1 31 HIS HD2 H 4.541 -0.038 -0.325 1.00 . A A . 31 HIS HD2 1 1 4 2237 1 1 31 HIS HE1 H 7.241 3.143 0.072 1.00 . A A . 31 HIS HE1 1 1 4 2238 1 1 31 HIS N N 6.710 -1.004 -3.632 1.00 . A A . 31 HIS N 1 1 4 2239 1 1 31 HIS ND1 N 7.547 1.135 -0.598 1.00 . A A . 31 HIS ND1 1 1 4 2240 1 1 31 HIS NE2 N 5.533 1.877 0.043 1.00 . A A . 31 HIS NE2 1 1 4 2241 1 1 31 HIS O O 9.718 -2.552 -2.924 1.00 . A A . 31 HIS O 1 1 4 2242 1 1 32 GLU C C 9.299 -4.725 -4.726 1.00 . A A . 32 GLU C 1 1 4 2243 1 1 32 GLU CA C 8.320 -4.887 -3.562 1.00 . A A . 32 GLU CA 1 1 4 2244 1 1 32 GLU CB C 7.207 -5.883 -3.931 1.00 . A A . 32 GLU CB 1 1 4 2245 1 1 32 GLU CD C 6.432 -6.396 -1.586 1.00 . A A . 32 GLU CD 1 1 4 2246 1 1 32 GLU CG C 7.079 -6.958 -2.845 1.00 . A A . 32 GLU CG 1 1 4 2247 1 1 32 GLU H H 6.723 -3.510 -3.216 1.00 . A A . 32 GLU H 1 1 4 2248 1 1 32 GLU HA H 8.865 -5.262 -2.696 1.00 . A A . 32 GLU HA 1 1 4 2249 1 1 32 GLU HB2 H 6.259 -5.355 -4.030 1.00 . A A . 32 GLU HB2 1 1 4 2250 1 1 32 GLU HB3 H 7.451 -6.363 -4.879 1.00 . A A . 32 GLU HB3 1 1 4 2251 1 1 32 GLU HG2 H 6.464 -7.774 -3.225 1.00 . A A . 32 GLU HG2 1 1 4 2252 1 1 32 GLU HG3 H 8.069 -7.344 -2.600 1.00 . A A . 32 GLU HG3 1 1 4 2253 1 1 32 GLU N N 7.733 -3.593 -3.227 1.00 . A A . 32 GLU N 1 1 4 2254 1 1 32 GLU O O 10.386 -5.302 -4.709 1.00 . A A . 32 GLU O 1 1 4 2255 1 1 32 GLU OE1 O 7.185 -5.861 -0.742 1.00 . A A . 32 GLU OE1 1 1 4 2256 1 1 32 GLU OE2 O 5.192 -6.513 -1.483 1.00 . A A . 32 GLU OE2 1 1 4 2257 1 1 33 MET C C 10.911 -2.774 -6.491 1.00 . A A . 33 MET C 1 1 4 2258 1 1 33 MET CA C 9.757 -3.691 -6.890 1.00 . A A . 33 MET CA 1 1 4 2259 1 1 33 MET CB C 8.928 -3.068 -8.017 1.00 . A A . 33 MET CB 1 1 4 2260 1 1 33 MET CE C 6.223 -2.231 -9.542 1.00 . A A . 33 MET CE 1 1 4 2261 1 1 33 MET CG C 8.016 -4.128 -8.635 1.00 . A A . 33 MET CG 1 1 4 2262 1 1 33 MET H H 8.002 -3.489 -5.701 1.00 . A A . 33 MET H 1 1 4 2263 1 1 33 MET HA H 10.166 -4.642 -7.236 1.00 . A A . 33 MET HA 1 1 4 2264 1 1 33 MET HB2 H 8.325 -2.253 -7.616 1.00 . A A . 33 MET HB2 1 1 4 2265 1 1 33 MET HB3 H 9.597 -2.677 -8.785 1.00 . A A . 33 MET HB3 1 1 4 2266 1 1 33 MET HE1 H 5.609 -2.577 -8.712 1.00 . A A . 33 MET HE1 1 1 4 2267 1 1 33 MET HE2 H 6.883 -1.435 -9.201 1.00 . A A . 33 MET HE2 1 1 4 2268 1 1 33 MET HE3 H 5.581 -1.854 -10.336 1.00 . A A . 33 MET HE3 1 1 4 2269 1 1 33 MET HG2 H 8.608 -5.017 -8.842 1.00 . A A . 33 MET HG2 1 1 4 2270 1 1 33 MET HG3 H 7.244 -4.387 -7.913 1.00 . A A . 33 MET HG3 1 1 4 2271 1 1 33 MET N N 8.910 -3.935 -5.735 1.00 . A A . 33 MET N 1 1 4 2272 1 1 33 MET O O 10.782 -1.551 -6.535 1.00 . A A . 33 MET O 1 1 4 2273 1 1 33 MET SD S 7.214 -3.607 -10.175 1.00 . A A . 33 MET SD 1 1 4 2274 1 1 34 THR C C 13.947 -2.083 -6.922 1.00 . A A . 34 THR C 1 1 4 2275 1 1 34 THR CA C 13.223 -2.634 -5.690 1.00 . A A . 34 THR CA 1 1 4 2276 1 1 34 THR CB C 14.135 -3.566 -4.878 1.00 . A A . 34 THR CB 1 1 4 2277 1 1 34 THR CG2 C 13.580 -3.722 -3.460 1.00 . A A . 34 THR CG2 1 1 4 2278 1 1 34 THR H H 12.083 -4.383 -6.088 1.00 . A A . 34 THR H 1 1 4 2279 1 1 34 THR HA H 12.919 -1.797 -5.057 1.00 . A A . 34 THR HA 1 1 4 2280 1 1 34 THR HB H 15.138 -3.141 -4.826 1.00 . A A . 34 THR HB 1 1 4 2281 1 1 34 THR HG1 H 13.432 -5.352 -5.209 1.00 . A A . 34 THR HG1 1 1 4 2282 1 1 34 THR HG21 H 12.566 -4.120 -3.506 1.00 . A A . 34 THR HG21 1 1 4 2283 1 1 34 THR HG22 H 14.212 -4.407 -2.896 1.00 . A A . 34 THR HG22 1 1 4 2284 1 1 34 THR HG23 H 13.566 -2.751 -2.966 1.00 . A A . 34 THR HG23 1 1 4 2285 1 1 34 THR N N 12.040 -3.375 -6.102 1.00 . A A . 34 THR N 1 1 4 2286 1 1 34 THR O O 15.068 -2.491 -7.222 1.00 . A A . 34 THR O 1 1 4 2287 1 1 34 THR OG1 O 14.192 -4.838 -5.500 1.00 . A A . 34 THR OG1 1 1 4 2288 1 1 35 LEU C C 13.889 -1.565 -9.981 1.00 . A A . 35 LEU C 1 1 4 2289 1 1 35 LEU CA C 13.841 -0.538 -8.841 1.00 . A A . 35 LEU CA 1 1 4 2290 1 1 35 LEU CB C 15.240 0.034 -8.546 1.00 . A A . 35 LEU CB 1 1 4 2291 1 1 35 LEU CD1 C 14.881 2.500 -8.863 1.00 . A A . 35 LEU CD1 1 1 4 2292 1 1 35 LEU CD2 C 17.034 1.448 -9.569 1.00 . A A . 35 LEU CD2 1 1 4 2293 1 1 35 LEU CG C 15.522 1.241 -9.455 1.00 . A A . 35 LEU CG 1 1 4 2294 1 1 35 LEU H H 12.372 -0.857 -7.330 1.00 . A A . 35 LEU H 1 1 4 2295 1 1 35 LEU HA H 13.185 0.278 -9.139 1.00 . A A . 35 LEU HA 1 1 4 2296 1 1 35 LEU HB2 H 15.292 0.349 -7.503 1.00 . A A . 35 LEU HB2 1 1 4 2297 1 1 35 LEU HB3 H 15.991 -0.737 -8.726 1.00 . A A . 35 LEU HB3 1 1 4 2298 1 1 35 LEU HD11 H 13.805 2.360 -8.779 1.00 . A A . 35 LEU HD11 1 1 4 2299 1 1 35 LEU HD12 H 15.299 2.692 -7.874 1.00 . A A . 35 LEU HD12 1 1 4 2300 1 1 35 LEU HD13 H 15.085 3.351 -9.513 1.00 . A A . 35 LEU HD13 1 1 4 2301 1 1 35 LEU HD21 H 17.458 1.601 -8.576 1.00 . A A . 35 LEU HD21 1 1 4 2302 1 1 35 LEU HD22 H 17.489 0.569 -10.026 1.00 . A A . 35 LEU HD22 1 1 4 2303 1 1 35 LEU HD23 H 17.236 2.323 -10.188 1.00 . A A . 35 LEU HD23 1 1 4 2304 1 1 35 LEU HG H 15.109 1.056 -10.446 1.00 . A A . 35 LEU HG 1 1 4 2305 1 1 35 LEU N N 13.292 -1.151 -7.633 1.00 . A A . 35 LEU N 1 1 4 2306 1 1 35 LEU O O 14.640 -1.396 -10.940 1.00 . A A . 35 LEU O 1 1 4 2307 1 1 36 LYS C C 11.842 -4.603 -10.546 1.00 . A A . 36 LYS C 1 1 4 2308 1 1 36 LYS CA C 13.008 -3.677 -10.878 1.00 . A A . 36 LYS CA 1 1 4 2309 1 1 36 LYS CB C 14.332 -4.462 -10.924 1.00 . A A . 36 LYS CB 1 1 4 2310 1 1 36 LYS CD C 16.051 -5.682 -9.568 1.00 . A A . 36 LYS CD 1 1 4 2311 1 1 36 LYS CE C 16.592 -5.833 -8.141 1.00 . A A . 36 LYS CE 1 1 4 2312 1 1 36 LYS CG C 14.664 -5.030 -9.537 1.00 . A A . 36 LYS CG 1 1 4 2313 1 1 36 LYS H H 12.481 -2.714 -9.061 1.00 . A A . 36 LYS H 1 1 4 2314 1 1 36 LYS HA H 12.833 -3.223 -11.854 1.00 . A A . 36 LYS HA 1 1 4 2315 1 1 36 LYS HB2 H 14.240 -5.284 -11.635 1.00 . A A . 36 LYS HB2 1 1 4 2316 1 1 36 LYS HB3 H 15.135 -3.800 -11.244 1.00 . A A . 36 LYS HB3 1 1 4 2317 1 1 36 LYS HD2 H 15.979 -6.664 -10.036 1.00 . A A . 36 LYS HD2 1 1 4 2318 1 1 36 LYS HD3 H 16.733 -5.057 -10.145 1.00 . A A . 36 LYS HD3 1 1 4 2319 1 1 36 LYS HE2 H 17.514 -6.414 -8.172 1.00 . A A . 36 LYS HE2 1 1 4 2320 1 1 36 LYS HE3 H 16.807 -4.844 -7.733 1.00 . A A . 36 LYS HE3 1 1 4 2321 1 1 36 LYS HG2 H 14.663 -4.226 -8.808 1.00 . A A . 36 LYS HG2 1 1 4 2322 1 1 36 LYS HG3 H 13.918 -5.774 -9.258 1.00 . A A . 36 LYS HG3 1 1 4 2323 1 1 36 LYS HZ1 H 15.272 -7.348 -7.729 1.00 . A A . 36 LYS HZ1 1 1 4 2324 1 1 36 LYS HZ2 H 16.072 -6.775 -6.402 1.00 . A A . 36 LYS HZ2 1 1 4 2325 1 1 36 LYS HZ3 H 14.849 -5.890 -7.066 1.00 . A A . 36 LYS HZ3 1 1 4 2326 1 1 36 LYS N N 13.078 -2.628 -9.871 1.00 . A A . 36 LYS N 1 1 4 2327 1 1 36 LYS NZ N 15.622 -6.514 -7.266 1.00 . A A . 36 LYS NZ 1 1 4 2328 1 1 36 LYS O O 11.388 -4.634 -9.404 1.00 . A A . 36 LYS O 1 1 4 2329 1 1 37 PHE C C 10.614 -7.323 -10.296 1.00 . A A . 37 PHE C 1 1 4 2330 1 1 37 PHE CA C 10.249 -6.276 -11.348 1.00 . A A . 37 PHE CA 1 1 4 2331 1 1 37 PHE CB C 9.904 -6.943 -12.680 1.00 . A A . 37 PHE CB 1 1 4 2332 1 1 37 PHE CD1 C 8.196 -5.351 -13.651 1.00 . A A . 37 PHE CD1 1 1 4 2333 1 1 37 PHE CD2 C 10.315 -5.647 -14.817 1.00 . A A . 37 PHE CD2 1 1 4 2334 1 1 37 PHE CE1 C 7.784 -4.434 -14.633 1.00 . A A . 37 PHE CE1 1 1 4 2335 1 1 37 PHE CE2 C 9.901 -4.729 -15.798 1.00 . A A . 37 PHE CE2 1 1 4 2336 1 1 37 PHE CG C 9.462 -5.959 -13.741 1.00 . A A . 37 PHE CG 1 1 4 2337 1 1 37 PHE CZ C 8.636 -4.123 -15.706 1.00 . A A . 37 PHE CZ 1 1 4 2338 1 1 37 PHE H H 11.772 -5.287 -12.461 1.00 . A A . 37 PHE H 1 1 4 2339 1 1 37 PHE HA H 9.381 -5.714 -11.000 1.00 . A A . 37 PHE HA 1 1 4 2340 1 1 37 PHE HB2 H 10.781 -7.483 -13.040 1.00 . A A . 37 PHE HB2 1 1 4 2341 1 1 37 PHE HB3 H 9.099 -7.660 -12.512 1.00 . A A . 37 PHE HB3 1 1 4 2342 1 1 37 PHE HD1 H 7.541 -5.588 -12.826 1.00 . A A . 37 PHE HD1 1 1 4 2343 1 1 37 PHE HD2 H 11.288 -6.112 -14.889 1.00 . A A . 37 PHE HD2 1 1 4 2344 1 1 37 PHE HE1 H 6.812 -3.967 -14.562 1.00 . A A . 37 PHE HE1 1 1 4 2345 1 1 37 PHE HE2 H 10.555 -4.489 -16.624 1.00 . A A . 37 PHE HE2 1 1 4 2346 1 1 37 PHE HZ H 8.319 -3.417 -16.461 1.00 . A A . 37 PHE HZ 1 1 4 2347 1 1 37 PHE N N 11.361 -5.354 -11.541 1.00 . A A . 37 PHE N 1 1 4 2348 1 1 37 PHE O O 9.782 -7.681 -9.463 1.00 . A A . 37 PHE O 1 1 4 2349 1 1 38 GLY C C 13.859 -8.806 -9.385 1.00 . A A . 38 GLY C 1 1 4 2350 1 1 38 GLY CA C 12.336 -8.803 -9.394 1.00 . A A . 38 GLY CA 1 1 4 2351 1 1 38 GLY H H 12.500 -7.482 -11.045 1.00 . A A . 38 GLY H 1 1 4 2352 1 1 38 GLY HA2 H 11.967 -8.565 -8.396 1.00 . A A . 38 GLY HA2 1 1 4 2353 1 1 38 GLY HA3 H 11.973 -9.788 -9.689 1.00 . A A . 38 GLY HA3 1 1 4 2354 1 1 38 GLY N N 11.858 -7.810 -10.337 1.00 . A A . 38 GLY N 1 1 4 2355 1 1 38 GLY O O 14.418 -8.573 -10.480 1.00 . A A . 38 GLY O 1 1 4 2356 1 1 38 GLY OXT O 14.409 -8.720 -8.266 1.00 . A A . 38 GLY OXT 1 1 5 2357 1 1 1 MET C C -18.314 4.983 4.865 1.00 . A A . 1 MET C 1 1 5 2358 1 1 1 MET CA C -17.784 5.911 3.760 1.00 . A A . 1 MET CA 1 1 5 2359 1 1 1 MET CB C -17.716 5.152 2.427 1.00 . A A . 1 MET CB 1 1 5 2360 1 1 1 MET CE C -16.276 3.913 -0.179 1.00 . A A . 1 MET CE 1 1 5 2361 1 1 1 MET CG C -17.150 6.058 1.328 1.00 . A A . 1 MET CG 1 1 5 2362 1 1 1 MET H1 H -16.522 6.953 4.991 1.00 . A A . 1 MET H1 1 1 5 2363 1 1 1 MET H2 H -15.794 5.695 4.202 1.00 . A A . 1 MET H2 1 1 5 2364 1 1 1 MET H3 H -16.152 7.090 3.393 1.00 . A A . 1 MET H3 1 1 5 2365 1 1 1 MET HA H -18.481 6.742 3.649 1.00 . A A . 1 MET HA 1 1 5 2366 1 1 1 MET HB2 H -17.076 4.276 2.541 1.00 . A A . 1 MET HB2 1 1 5 2367 1 1 1 MET HB3 H -18.719 4.829 2.145 1.00 . A A . 1 MET HB3 1 1 5 2368 1 1 1 MET HE1 H -15.284 4.205 0.165 1.00 . A A . 1 MET HE1 1 1 5 2369 1 1 1 MET HE2 H -16.723 3.228 0.541 1.00 . A A . 1 MET HE2 1 1 5 2370 1 1 1 MET HE3 H -16.193 3.417 -1.146 1.00 . A A . 1 MET HE3 1 1 5 2371 1 1 1 MET HG2 H -17.669 7.015 1.366 1.00 . A A . 1 MET HG2 1 1 5 2372 1 1 1 MET HG3 H -16.091 6.228 1.525 1.00 . A A . 1 MET HG3 1 1 5 2373 1 1 1 MET N N -16.460 6.457 4.114 1.00 . A A . 1 MET N 1 1 5 2374 1 1 1 MET O O -19.379 4.393 4.699 1.00 . A A . 1 MET O 1 1 5 2375 1 1 1 MET SD S -17.319 5.383 -0.345 1.00 . A A . 1 MET SD 1 1 5 2376 1 1 2 SER C C -17.691 2.536 6.801 1.00 . A A . 2 SER C 1 1 5 2377 1 1 2 SER CA C -17.944 4.012 7.124 1.00 . A A . 2 SER CA 1 1 5 2378 1 1 2 SER CB C -19.409 4.251 7.523 1.00 . A A . 2 SER CB 1 1 5 2379 1 1 2 SER H H -16.698 5.363 6.054 1.00 . A A . 2 SER H 1 1 5 2380 1 1 2 SER HA H -17.314 4.288 7.970 1.00 . A A . 2 SER HA 1 1 5 2381 1 1 2 SER HB2 H -20.073 3.755 6.816 1.00 . A A . 2 SER HB2 1 1 5 2382 1 1 2 SER HB3 H -19.580 3.844 8.519 1.00 . A A . 2 SER HB3 1 1 5 2383 1 1 2 SER HG H -20.609 5.768 7.740 1.00 . A A . 2 SER HG 1 1 5 2384 1 1 2 SER N N -17.565 4.857 5.983 1.00 . A A . 2 SER N 1 1 5 2385 1 1 2 SER O O -17.001 1.847 7.556 1.00 . A A . 2 SER O 1 1 5 2386 1 1 2 SER OG O -19.679 5.639 7.532 1.00 . A A . 2 SER OG 1 1 5 2387 1 1 3 ASP C C -16.573 0.431 4.969 1.00 . A A . 3 ASP C 1 1 5 2388 1 1 3 ASP CA C -18.053 0.677 5.257 1.00 . A A . 3 ASP CA 1 1 5 2389 1 1 3 ASP CB C -18.900 0.411 4.012 1.00 . A A . 3 ASP CB 1 1 5 2390 1 1 3 ASP CG C -18.679 -1.006 3.500 1.00 . A A . 3 ASP CG 1 1 5 2391 1 1 3 ASP H H -18.807 2.658 5.102 1.00 . A A . 3 ASP H 1 1 5 2392 1 1 3 ASP HA H -18.376 0.008 6.057 1.00 . A A . 3 ASP HA 1 1 5 2393 1 1 3 ASP HB2 H -19.954 0.542 4.260 1.00 . A A . 3 ASP HB2 1 1 5 2394 1 1 3 ASP HB3 H -18.626 1.122 3.232 1.00 . A A . 3 ASP HB3 1 1 5 2395 1 1 3 ASP N N -18.242 2.053 5.681 1.00 . A A . 3 ASP N 1 1 5 2396 1 1 3 ASP O O -16.005 -0.561 5.427 1.00 . A A . 3 ASP O 1 1 5 2397 1 1 3 ASP OD1 O -19.172 -1.935 4.175 1.00 . A A . 3 ASP OD1 1 1 5 2398 1 1 3 ASP OD2 O -18.020 -1.132 2.447 1.00 . A A . 3 ASP OD2 1 1 5 2399 1 1 4 ASP C C -13.700 1.297 5.146 1.00 . A A . 4 ASP C 1 1 5 2400 1 1 4 ASP CA C -14.541 1.236 3.874 1.00 . A A . 4 ASP CA 1 1 5 2401 1 1 4 ASP CB C -14.156 2.366 2.911 1.00 . A A . 4 ASP CB 1 1 5 2402 1 1 4 ASP CG C -14.057 3.705 3.635 1.00 . A A . 4 ASP CG 1 1 5 2403 1 1 4 ASP H H -16.465 2.138 3.863 1.00 . A A . 4 ASP H 1 1 5 2404 1 1 4 ASP HA H -14.370 0.278 3.380 1.00 . A A . 4 ASP HA 1 1 5 2405 1 1 4 ASP HB2 H -13.191 2.134 2.460 1.00 . A A . 4 ASP HB2 1 1 5 2406 1 1 4 ASP HB3 H -14.906 2.439 2.124 1.00 . A A . 4 ASP HB3 1 1 5 2407 1 1 4 ASP N N -15.950 1.344 4.213 1.00 . A A . 4 ASP N 1 1 5 2408 1 1 4 ASP O O -14.064 1.981 6.103 1.00 . A A . 4 ASP O 1 1 5 2409 1 1 4 ASP OD1 O -15.101 4.149 4.162 1.00 . A A . 4 ASP OD1 1 1 5 2410 1 1 4 ASP OD2 O -12.938 4.265 3.646 1.00 . A A . 4 ASP OD2 1 1 5 2411 1 1 5 LYS C C -10.331 1.145 5.890 1.00 . A A . 5 LYS C 1 1 5 2412 1 1 5 LYS CA C -11.674 0.534 6.298 1.00 . A A . 5 LYS CA 1 1 5 2413 1 1 5 LYS CB C -11.495 -0.922 6.753 1.00 . A A . 5 LYS CB 1 1 5 2414 1 1 5 LYS CD C -13.180 -1.181 8.643 1.00 . A A . 5 LYS CD 1 1 5 2415 1 1 5 LYS CE C -14.216 -0.045 8.724 1.00 . A A . 5 LYS CE 1 1 5 2416 1 1 5 LYS CG C -12.849 -1.533 7.176 1.00 . A A . 5 LYS CG 1 1 5 2417 1 1 5 LYS H H -12.327 0.033 4.337 1.00 . A A . 5 LYS H 1 1 5 2418 1 1 5 LYS HA H -12.098 1.111 7.110 1.00 . A A . 5 LYS HA 1 1 5 2419 1 1 5 LYS HB2 H -11.086 -1.504 5.926 1.00 . A A . 5 LYS HB2 1 1 5 2420 1 1 5 LYS HB3 H -10.800 -0.960 7.590 1.00 . A A . 5 LYS HB3 1 1 5 2421 1 1 5 LYS HD2 H -13.584 -2.065 9.137 1.00 . A A . 5 LYS HD2 1 1 5 2422 1 1 5 LYS HD3 H -12.270 -0.873 9.157 1.00 . A A . 5 LYS HD3 1 1 5 2423 1 1 5 LYS HE2 H -14.386 0.200 9.773 1.00 . A A . 5 LYS HE2 1 1 5 2424 1 1 5 LYS HE3 H -13.829 0.833 8.220 1.00 . A A . 5 LYS HE3 1 1 5 2425 1 1 5 LYS HG2 H -13.634 -1.169 6.520 1.00 . A A . 5 LYS HG2 1 1 5 2426 1 1 5 LYS HG3 H -12.786 -2.619 7.081 1.00 . A A . 5 LYS HG3 1 1 5 2427 1 1 5 LYS HZ1 H -15.364 -0.652 7.132 1.00 . A A . 5 LYS HZ1 1 1 5 2428 1 1 5 LYS HZ2 H -15.884 -1.229 8.589 1.00 . A A . 5 LYS HZ2 1 1 5 2429 1 1 5 LYS HZ3 H -16.153 0.350 8.181 1.00 . A A . 5 LYS HZ3 1 1 5 2430 1 1 5 LYS N N -12.573 0.574 5.153 1.00 . A A . 5 LYS N 1 1 5 2431 1 1 5 LYS NZ N -15.504 -0.427 8.109 1.00 . A A . 5 LYS NZ 1 1 5 2432 1 1 5 LYS O O -9.932 1.021 4.739 1.00 . A A . 5 LYS O 1 1 5 2433 1 1 6 PRO C C -7.265 1.364 6.338 1.00 . A A . 6 PRO C 1 1 5 2434 1 1 6 PRO CA C -8.349 2.427 6.529 1.00 . A A . 6 PRO CA 1 1 5 2435 1 1 6 PRO CB C -8.041 3.310 7.736 1.00 . A A . 6 PRO CB 1 1 5 2436 1 1 6 PRO CD C -10.063 2.002 8.191 1.00 . A A . 6 PRO CD 1 1 5 2437 1 1 6 PRO CG C -8.989 2.864 8.855 1.00 . A A . 6 PRO CG 1 1 5 2438 1 1 6 PRO HA H -8.430 3.042 5.633 1.00 . A A . 6 PRO HA 1 1 5 2439 1 1 6 PRO HB2 H -7.004 3.181 8.044 1.00 . A A . 6 PRO HB2 1 1 5 2440 1 1 6 PRO HB3 H -8.229 4.352 7.485 1.00 . A A . 6 PRO HB3 1 1 5 2441 1 1 6 PRO HD2 H -10.145 1.043 8.700 1.00 . A A . 6 PRO HD2 1 1 5 2442 1 1 6 PRO HD3 H -11.020 2.525 8.213 1.00 . A A . 6 PRO HD3 1 1 5 2443 1 1 6 PRO HG2 H -8.443 2.275 9.592 1.00 . A A . 6 PRO HG2 1 1 5 2444 1 1 6 PRO HG3 H -9.443 3.733 9.332 1.00 . A A . 6 PRO HG3 1 1 5 2445 1 1 6 PRO N N -9.626 1.814 6.820 1.00 . A A . 6 PRO N 1 1 5 2446 1 1 6 PRO O O -6.858 0.713 7.299 1.00 . A A . 6 PRO O 1 1 5 2447 1 1 7 PHE C C -4.391 0.944 4.905 1.00 . A A . 7 PHE C 1 1 5 2448 1 1 7 PHE CA C -5.739 0.244 4.790 1.00 . A A . 7 PHE CA 1 1 5 2449 1 1 7 PHE CB C -5.946 -0.311 3.379 1.00 . A A . 7 PHE CB 1 1 5 2450 1 1 7 PHE CD1 C -7.388 -2.378 3.551 1.00 . A A . 7 PHE CD1 1 1 5 2451 1 1 7 PHE CD2 C -8.385 -0.313 2.745 1.00 . A A . 7 PHE CD2 1 1 5 2452 1 1 7 PHE CE1 C -8.625 -3.029 3.417 1.00 . A A . 7 PHE CE1 1 1 5 2453 1 1 7 PHE CE2 C -9.622 -0.961 2.613 1.00 . A A . 7 PHE CE2 1 1 5 2454 1 1 7 PHE CG C -7.269 -1.019 3.215 1.00 . A A . 7 PHE CG 1 1 5 2455 1 1 7 PHE CZ C -9.743 -2.320 2.946 1.00 . A A . 7 PHE CZ 1 1 5 2456 1 1 7 PHE H H -7.171 1.755 4.340 1.00 . A A . 7 PHE H 1 1 5 2457 1 1 7 PHE HA H -5.777 -0.581 5.502 1.00 . A A . 7 PHE HA 1 1 5 2458 1 1 7 PHE HB2 H -5.898 0.513 2.664 1.00 . A A . 7 PHE HB2 1 1 5 2459 1 1 7 PHE HB3 H -5.144 -1.012 3.157 1.00 . A A . 7 PHE HB3 1 1 5 2460 1 1 7 PHE HD1 H -6.530 -2.921 3.919 1.00 . A A . 7 PHE HD1 1 1 5 2461 1 1 7 PHE HD2 H -8.295 0.734 2.496 1.00 . A A . 7 PHE HD2 1 1 5 2462 1 1 7 PHE HE1 H -8.718 -4.072 3.678 1.00 . A A . 7 PHE HE1 1 1 5 2463 1 1 7 PHE HE2 H -10.482 -0.412 2.265 1.00 . A A . 7 PHE HE2 1 1 5 2464 1 1 7 PHE HZ H -10.696 -2.818 2.846 1.00 . A A . 7 PHE HZ 1 1 5 2465 1 1 7 PHE N N -6.794 1.199 5.097 1.00 . A A . 7 PHE N 1 1 5 2466 1 1 7 PHE O O -3.965 1.618 3.970 1.00 . A A . 7 PHE O 1 1 5 2467 1 1 8 LEU C C -1.300 0.509 5.910 1.00 . A A . 8 LEU C 1 1 5 2468 1 1 8 LEU CA C -2.448 1.438 6.307 1.00 . A A . 8 LEU CA 1 1 5 2469 1 1 8 LEU CB C -2.360 1.817 7.792 1.00 . A A . 8 LEU CB 1 1 5 2470 1 1 8 LEU CD1 C -1.514 3.837 9.012 1.00 . A A . 8 LEU CD1 1 1 5 2471 1 1 8 LEU CD2 C 0.012 1.898 8.631 1.00 . A A . 8 LEU CD2 1 1 5 2472 1 1 8 LEU CG C -1.137 2.720 8.036 1.00 . A A . 8 LEU CG 1 1 5 2473 1 1 8 LEU H H -4.126 0.221 6.790 1.00 . A A . 8 LEU H 1 1 5 2474 1 1 8 LEU HA H -2.388 2.347 5.713 1.00 . A A . 8 LEU HA 1 1 5 2475 1 1 8 LEU HB2 H -3.265 2.354 8.076 1.00 . A A . 8 LEU HB2 1 1 5 2476 1 1 8 LEU HB3 H -2.274 0.913 8.396 1.00 . A A . 8 LEU HB3 1 1 5 2477 1 1 8 LEU HD11 H -1.857 3.402 9.951 1.00 . A A . 8 LEU HD11 1 1 5 2478 1 1 8 LEU HD12 H -0.643 4.466 9.201 1.00 . A A . 8 LEU HD12 1 1 5 2479 1 1 8 LEU HD13 H -2.311 4.444 8.582 1.00 . A A . 8 LEU HD13 1 1 5 2480 1 1 8 LEU HD21 H -0.304 1.462 9.579 1.00 . A A . 8 LEU HD21 1 1 5 2481 1 1 8 LEU HD22 H 0.289 1.105 7.942 1.00 . A A . 8 LEU HD22 1 1 5 2482 1 1 8 LEU HD23 H 0.873 2.546 8.800 1.00 . A A . 8 LEU HD23 1 1 5 2483 1 1 8 LEU HG H -0.814 3.162 7.094 1.00 . A A . 8 LEU HG 1 1 5 2484 1 1 8 LEU N N -3.729 0.794 6.058 1.00 . A A . 8 LEU N 1 1 5 2485 1 1 8 LEU O O -1.132 -0.560 6.493 1.00 . A A . 8 LEU O 1 1 5 2486 1 1 9 CYS C C 1.768 0.323 5.498 1.00 . A A . 9 CYS C 1 1 5 2487 1 1 9 CYS CA C 0.653 0.166 4.476 1.00 . A A . 9 CYS CA 1 1 5 2488 1 1 9 CYS CB C 1.119 0.680 3.113 1.00 . A A . 9 CYS CB 1 1 5 2489 1 1 9 CYS H H -0.702 1.807 4.458 1.00 . A A . 9 CYS H 1 1 5 2490 1 1 9 CYS HA H 0.384 -0.888 4.389 1.00 . A A . 9 CYS HA 1 1 5 2491 1 1 9 CYS HB2 H 0.360 0.469 2.364 1.00 . A A . 9 CYS HB2 1 1 5 2492 1 1 9 CYS HB3 H 1.295 1.757 3.163 1.00 . A A . 9 CYS HB3 1 1 5 2493 1 1 9 CYS N N -0.506 0.928 4.918 1.00 . A A . 9 CYS N 1 1 5 2494 1 1 9 CYS O O 2.486 1.318 5.470 1.00 . A A . 9 CYS O 1 1 5 2495 1 1 9 CYS SG S 2.660 -0.168 2.665 1.00 . A A . 9 CYS SG 1 1 5 2496 1 1 10 THR C C 4.315 -0.416 6.783 1.00 . A A . 10 THR C 1 1 5 2497 1 1 10 THR CA C 2.939 -0.624 7.423 1.00 . A A . 10 THR CA 1 1 5 2498 1 1 10 THR CB C 2.895 -1.938 8.213 1.00 . A A . 10 THR CB 1 1 5 2499 1 1 10 THR CG2 C 3.748 -1.813 9.478 1.00 . A A . 10 THR CG2 1 1 5 2500 1 1 10 THR H H 1.289 -1.454 6.371 1.00 . A A . 10 THR H 1 1 5 2501 1 1 10 THR HA H 2.733 0.204 8.102 1.00 . A A . 10 THR HA 1 1 5 2502 1 1 10 THR HB H 3.282 -2.748 7.595 1.00 . A A . 10 THR HB 1 1 5 2503 1 1 10 THR HG1 H 1.226 -1.498 9.108 1.00 . A A . 10 THR HG1 1 1 5 2504 1 1 10 THR HG21 H 3.381 -0.986 10.087 1.00 . A A . 10 THR HG21 1 1 5 2505 1 1 10 THR HG22 H 3.687 -2.739 10.050 1.00 . A A . 10 THR HG22 1 1 5 2506 1 1 10 THR HG23 H 4.787 -1.627 9.202 1.00 . A A . 10 THR HG23 1 1 5 2507 1 1 10 THR N N 1.912 -0.658 6.395 1.00 . A A . 10 THR N 1 1 5 2508 1 1 10 THR O O 4.845 -1.319 6.138 1.00 . A A . 10 THR O 1 1 5 2509 1 1 10 THR OG1 O 1.560 -2.222 8.574 1.00 . A A . 10 THR OG1 1 1 5 2510 1 1 11 ALA C C 6.752 2.312 7.196 1.00 . A A . 11 ALA C 1 1 5 2511 1 1 11 ALA CA C 6.190 1.115 6.422 1.00 . A A . 11 ALA CA 1 1 5 2512 1 1 11 ALA CB C 6.054 1.429 4.930 1.00 . A A . 11 ALA CB 1 1 5 2513 1 1 11 ALA H H 4.401 1.491 7.499 1.00 . A A . 11 ALA H 1 1 5 2514 1 1 11 ALA HA H 6.852 0.260 6.547 1.00 . A A . 11 ALA HA 1 1 5 2515 1 1 11 ALA HB1 H 5.219 2.110 4.775 1.00 . A A . 11 ALA HB1 1 1 5 2516 1 1 11 ALA HB2 H 6.973 1.891 4.569 1.00 . A A . 11 ALA HB2 1 1 5 2517 1 1 11 ALA HB3 H 5.874 0.506 4.380 1.00 . A A . 11 ALA HB3 1 1 5 2518 1 1 11 ALA N N 4.885 0.782 6.964 1.00 . A A . 11 ALA N 1 1 5 2519 1 1 11 ALA O O 5.985 3.156 7.655 1.00 . A A . 11 ALA O 1 1 5 2520 1 1 12 PRO C C 8.647 4.784 7.408 1.00 . A A . 12 PRO C 1 1 5 2521 1 1 12 PRO CA C 8.743 3.434 8.119 1.00 . A A . 12 PRO CA 1 1 5 2522 1 1 12 PRO CB C 10.198 2.978 8.243 1.00 . A A . 12 PRO CB 1 1 5 2523 1 1 12 PRO CD C 9.016 1.416 6.800 1.00 . A A . 12 PRO CD 1 1 5 2524 1 1 12 PRO CG C 10.402 1.963 7.120 1.00 . A A . 12 PRO CG 1 1 5 2525 1 1 12 PRO HA H 8.293 3.507 9.110 1.00 . A A . 12 PRO HA 1 1 5 2526 1 1 12 PRO HB2 H 10.881 3.821 8.129 1.00 . A A . 12 PRO HB2 1 1 5 2527 1 1 12 PRO HB3 H 10.354 2.498 9.209 1.00 . A A . 12 PRO HB3 1 1 5 2528 1 1 12 PRO HD2 H 8.883 1.331 5.722 1.00 . A A . 12 PRO HD2 1 1 5 2529 1 1 12 PRO HD3 H 8.880 0.446 7.277 1.00 . A A . 12 PRO HD3 1 1 5 2530 1 1 12 PRO HG2 H 10.808 2.464 6.241 1.00 . A A . 12 PRO HG2 1 1 5 2531 1 1 12 PRO HG3 H 11.067 1.163 7.442 1.00 . A A . 12 PRO HG3 1 1 5 2532 1 1 12 PRO N N 8.089 2.383 7.355 1.00 . A A . 12 PRO N 1 1 5 2533 1 1 12 PRO O O 7.827 5.622 7.773 1.00 . A A . 12 PRO O 1 1 5 2534 1 1 13 GLY C C 8.439 6.371 4.642 1.00 . A A . 13 GLY C 1 1 5 2535 1 1 13 GLY CA C 9.560 6.258 5.671 1.00 . A A . 13 GLY CA 1 1 5 2536 1 1 13 GLY H H 10.139 4.266 6.121 1.00 . A A . 13 GLY H 1 1 5 2537 1 1 13 GLY HA2 H 9.475 7.081 6.381 1.00 . A A . 13 GLY HA2 1 1 5 2538 1 1 13 GLY HA3 H 10.521 6.330 5.161 1.00 . A A . 13 GLY HA3 1 1 5 2539 1 1 13 GLY N N 9.501 4.996 6.394 1.00 . A A . 13 GLY N 1 1 5 2540 1 1 13 GLY O O 8.642 6.938 3.571 1.00 . A A . 13 GLY O 1 1 5 2541 1 1 14 CYS C C 4.811 5.935 4.873 1.00 . A A . 14 CYS C 1 1 5 2542 1 1 14 CYS CA C 6.108 5.946 4.065 1.00 . A A . 14 CYS CA 1 1 5 2543 1 1 14 CYS CB C 6.147 4.807 3.048 1.00 . A A . 14 CYS CB 1 1 5 2544 1 1 14 CYS H H 7.139 5.362 5.848 1.00 . A A . 14 CYS H 1 1 5 2545 1 1 14 CYS HA H 6.169 6.891 3.525 1.00 . A A . 14 CYS HA 1 1 5 2546 1 1 14 CYS HB2 H 7.035 4.903 2.423 1.00 . A A . 14 CYS HB2 1 1 5 2547 1 1 14 CYS HB3 H 6.169 3.853 3.566 1.00 . A A . 14 CYS HB3 1 1 5 2548 1 1 14 CYS N N 7.254 5.843 4.960 1.00 . A A . 14 CYS N 1 1 5 2549 1 1 14 CYS O O 4.164 6.968 5.004 1.00 . A A . 14 CYS O 1 1 5 2550 1 1 14 CYS SG S 4.669 4.904 2.016 1.00 . A A . 14 CYS SG 1 1 5 2551 1 1 15 GLY C C 2.017 5.292 5.575 1.00 . A A . 15 GLY C 1 1 5 2552 1 1 15 GLY CA C 3.232 4.616 6.222 1.00 . A A . 15 GLY CA 1 1 5 2553 1 1 15 GLY H H 5.009 3.950 5.269 1.00 . A A . 15 GLY H 1 1 5 2554 1 1 15 GLY HA2 H 3.021 3.557 6.351 1.00 . A A . 15 GLY HA2 1 1 5 2555 1 1 15 GLY HA3 H 3.406 5.064 7.201 1.00 . A A . 15 GLY HA3 1 1 5 2556 1 1 15 GLY N N 4.438 4.765 5.413 1.00 . A A . 15 GLY N 1 1 5 2557 1 1 15 GLY O O 1.292 6.019 6.248 1.00 . A A . 15 GLY O 1 1 5 2558 1 1 16 GLN C C -0.596 4.799 3.832 1.00 . A A . 16 GLN C 1 1 5 2559 1 1 16 GLN CA C 0.649 5.643 3.579 1.00 . A A . 16 GLN CA 1 1 5 2560 1 1 16 GLN CB C 0.943 5.743 2.081 1.00 . A A . 16 GLN CB 1 1 5 2561 1 1 16 GLN CD C 2.190 7.065 0.339 1.00 . A A . 16 GLN CD 1 1 5 2562 1 1 16 GLN CG C 1.773 6.999 1.803 1.00 . A A . 16 GLN CG 1 1 5 2563 1 1 16 GLN H H 2.404 4.449 3.751 1.00 . A A . 16 GLN H 1 1 5 2564 1 1 16 GLN HA H 0.477 6.644 3.970 1.00 . A A . 16 GLN HA 1 1 5 2565 1 1 16 GLN HB2 H 1.494 4.860 1.758 1.00 . A A . 16 GLN HB2 1 1 5 2566 1 1 16 GLN HB3 H 0.004 5.805 1.533 1.00 . A A . 16 GLN HB3 1 1 5 2567 1 1 16 GLN HE21 H 1.437 7.198 -1.545 1.00 . A A . 16 GLN HE21 1 1 5 2568 1 1 16 GLN HE22 H 0.248 7.152 -0.262 1.00 . A A . 16 GLN HE22 1 1 5 2569 1 1 16 GLN HG2 H 1.179 7.882 2.046 1.00 . A A . 16 GLN HG2 1 1 5 2570 1 1 16 GLN HG3 H 2.664 6.988 2.430 1.00 . A A . 16 GLN HG3 1 1 5 2571 1 1 16 GLN N N 1.786 5.052 4.272 1.00 . A A . 16 GLN N 1 1 5 2572 1 1 16 GLN NE2 N 1.212 7.144 -0.563 1.00 . A A . 16 GLN NE2 1 1 5 2573 1 1 16 GLN O O -0.498 3.589 4.033 1.00 . A A . 16 GLN O 1 1 5 2574 1 1 16 GLN OE1 O 3.378 7.045 0.030 1.00 . A A . 16 GLN OE1 1 1 5 2575 1 1 17 ARG C C -3.996 5.102 2.927 1.00 . A A . 17 ARG C 1 1 5 2576 1 1 17 ARG CA C -3.038 4.784 4.062 1.00 . A A . 17 ARG CA 1 1 5 2577 1 1 17 ARG CB C -3.602 5.248 5.412 1.00 . A A . 17 ARG CB 1 1 5 2578 1 1 17 ARG CD C -6.108 5.498 5.387 1.00 . A A . 17 ARG CD 1 1 5 2579 1 1 17 ARG CG C -4.943 4.555 5.710 1.00 . A A . 17 ARG CG 1 1 5 2580 1 1 17 ARG CZ C -7.132 7.546 6.322 1.00 . A A . 17 ARG CZ 1 1 5 2581 1 1 17 ARG H H -1.779 6.441 3.635 1.00 . A A . 17 ARG H 1 1 5 2582 1 1 17 ARG HA H -2.877 3.713 4.096 1.00 . A A . 17 ARG HA 1 1 5 2583 1 1 17 ARG HB2 H -2.891 4.997 6.196 1.00 . A A . 17 ARG HB2 1 1 5 2584 1 1 17 ARG HB3 H -3.745 6.327 5.389 1.00 . A A . 17 ARG HB3 1 1 5 2585 1 1 17 ARG HD2 H -5.966 5.923 4.395 1.00 . A A . 17 ARG HD2 1 1 5 2586 1 1 17 ARG HD3 H -7.038 4.930 5.401 1.00 . A A . 17 ARG HD3 1 1 5 2587 1 1 17 ARG HE H -5.507 6.601 7.112 1.00 . A A . 17 ARG HE 1 1 5 2588 1 1 17 ARG HG2 H -5.033 3.652 5.111 1.00 . A A . 17 ARG HG2 1 1 5 2589 1 1 17 ARG HG3 H -4.983 4.288 6.766 1.00 . A A . 17 ARG HG3 1 1 5 2590 1 1 17 ARG HH11 H -8.041 6.813 4.647 1.00 . A A . 17 ARG HH11 1 1 5 2591 1 1 17 ARG HH12 H -8.757 8.262 5.312 1.00 . A A . 17 ARG HH12 1 1 5 2592 1 1 17 ARG HH21 H -6.458 8.513 7.988 1.00 . A A . 17 ARG HH21 1 1 5 2593 1 1 17 ARG HH22 H -7.851 9.234 7.216 1.00 . A A . 17 ARG HH22 1 1 5 2594 1 1 17 ARG N N -1.767 5.449 3.819 1.00 . A A . 17 ARG N 1 1 5 2595 1 1 17 ARG NE N -6.193 6.585 6.371 1.00 . A A . 17 ARG NE 1 1 5 2596 1 1 17 ARG NH1 N -8.052 7.539 5.347 1.00 . A A . 17 ARG NH1 1 1 5 2597 1 1 17 ARG NH2 N -7.149 8.510 7.252 1.00 . A A . 17 ARG NH2 1 1 5 2598 1 1 17 ARG O O -3.938 6.186 2.348 1.00 . A A . 17 ARG O 1 1 5 2599 1 1 18 PHE C C -7.202 3.797 1.957 1.00 . A A . 18 PHE C 1 1 5 2600 1 1 18 PHE CA C -5.829 4.302 1.521 1.00 . A A . 18 PHE CA 1 1 5 2601 1 1 18 PHE CB C -5.320 3.530 0.298 1.00 . A A . 18 PHE CB 1 1 5 2602 1 1 18 PHE CD1 C -2.871 3.085 0.756 1.00 . A A . 18 PHE CD1 1 1 5 2603 1 1 18 PHE CD2 C -3.457 4.696 -0.972 1.00 . A A . 18 PHE CD2 1 1 5 2604 1 1 18 PHE CE1 C -1.508 3.322 0.517 1.00 . A A . 18 PHE CE1 1 1 5 2605 1 1 18 PHE CE2 C -2.091 4.930 -1.213 1.00 . A A . 18 PHE CE2 1 1 5 2606 1 1 18 PHE CG C -3.849 3.772 0.014 1.00 . A A . 18 PHE CG 1 1 5 2607 1 1 18 PHE CZ C -1.118 4.242 -0.466 1.00 . A A . 18 PHE CZ 1 1 5 2608 1 1 18 PHE H H -4.878 3.275 3.126 1.00 . A A . 18 PHE H 1 1 5 2609 1 1 18 PHE HA H -5.910 5.358 1.263 1.00 . A A . 18 PHE HA 1 1 5 2610 1 1 18 PHE HB2 H -5.473 2.463 0.468 1.00 . A A . 18 PHE HB2 1 1 5 2611 1 1 18 PHE HB3 H -5.903 3.832 -0.571 1.00 . A A . 18 PHE HB3 1 1 5 2612 1 1 18 PHE HD1 H -3.169 2.384 1.520 1.00 . A A . 18 PHE HD1 1 1 5 2613 1 1 18 PHE HD2 H -4.204 5.230 -1.540 1.00 . A A . 18 PHE HD2 1 1 5 2614 1 1 18 PHE HE1 H -0.761 2.799 1.093 1.00 . A A . 18 PHE HE1 1 1 5 2615 1 1 18 PHE HE2 H -1.790 5.640 -1.967 1.00 . A A . 18 PHE HE2 1 1 5 2616 1 1 18 PHE HZ H -0.070 4.426 -0.642 1.00 . A A . 18 PHE HZ 1 1 5 2617 1 1 18 PHE N N -4.875 4.146 2.605 1.00 . A A . 18 PHE N 1 1 5 2618 1 1 18 PHE O O -7.317 3.069 2.943 1.00 . A A . 18 PHE O 1 1 5 2619 1 1 19 THR C C -9.944 2.445 0.879 1.00 . A A . 19 THR C 1 1 5 2620 1 1 19 THR CA C -9.617 3.807 1.513 1.00 . A A . 19 THR CA 1 1 5 2621 1 1 19 THR CB C -10.575 4.905 1.008 1.00 . A A . 19 THR CB 1 1 5 2622 1 1 19 THR CG2 C -10.291 5.233 -0.464 1.00 . A A . 19 THR CG2 1 1 5 2623 1 1 19 THR H H -8.079 4.789 0.417 1.00 . A A . 19 THR H 1 1 5 2624 1 1 19 THR HA H -9.732 3.721 2.594 1.00 . A A . 19 THR HA 1 1 5 2625 1 1 19 THR HB H -10.435 5.806 1.605 1.00 . A A . 19 THR HB 1 1 5 2626 1 1 19 THR HG1 H -12.109 4.343 2.075 1.00 . A A . 19 THR HG1 1 1 5 2627 1 1 19 THR HG21 H -10.174 4.311 -1.031 1.00 . A A . 19 THR HG21 1 1 5 2628 1 1 19 THR HG22 H -11.123 5.805 -0.874 1.00 . A A . 19 THR HG22 1 1 5 2629 1 1 19 THR HG23 H -9.378 5.823 -0.539 1.00 . A A . 19 THR HG23 1 1 5 2630 1 1 19 THR N N -8.242 4.195 1.215 1.00 . A A . 19 THR N 1 1 5 2631 1 1 19 THR O O -10.934 1.819 1.247 1.00 . A A . 19 THR O 1 1 5 2632 1 1 19 THR OG1 O -11.912 4.473 1.135 1.00 . A A . 19 THR OG1 1 1 5 2633 1 1 20 ASN C C -8.023 -0.092 -0.741 1.00 . A A . 20 ASN C 1 1 5 2634 1 1 20 ASN CA C -9.318 0.710 -0.743 1.00 . A A . 20 ASN CA 1 1 5 2635 1 1 20 ASN CB C -9.780 0.959 -2.181 1.00 . A A . 20 ASN CB 1 1 5 2636 1 1 20 ASN CG C -11.227 1.435 -2.222 1.00 . A A . 20 ASN CG 1 1 5 2637 1 1 20 ASN H H -8.307 2.537 -0.335 1.00 . A A . 20 ASN H 1 1 5 2638 1 1 20 ASN HA H -10.085 0.141 -0.216 1.00 . A A . 20 ASN HA 1 1 5 2639 1 1 20 ASN HB2 H -9.140 1.712 -2.639 1.00 . A A . 20 ASN HB2 1 1 5 2640 1 1 20 ASN HB3 H -9.696 0.031 -2.749 1.00 . A A . 20 ASN HB3 1 1 5 2641 1 1 20 ASN HD21 H -11.905 -0.468 -1.993 1.00 . A A . 20 ASN HD21 1 1 5 2642 1 1 20 ASN HD22 H -13.140 0.767 -2.089 1.00 . A A . 20 ASN HD22 1 1 5 2643 1 1 20 ASN N N -9.110 1.987 -0.070 1.00 . A A . 20 ASN N 1 1 5 2644 1 1 20 ASN ND2 N -12.167 0.502 -2.090 1.00 . A A . 20 ASN ND2 1 1 5 2645 1 1 20 ASN O O -6.939 0.473 -0.902 1.00 . A A . 20 ASN O 1 1 5 2646 1 1 20 ASN OD1 O -11.487 2.626 -2.373 1.00 . A A . 20 ASN OD1 1 1 5 2647 1 1 21 GLU C C -6.357 -2.321 -1.973 1.00 . A A . 21 GLU C 1 1 5 2648 1 1 21 GLU CA C -6.982 -2.298 -0.577 1.00 . A A . 21 GLU CA 1 1 5 2649 1 1 21 GLU CB C -7.395 -3.707 -0.128 1.00 . A A . 21 GLU CB 1 1 5 2650 1 1 21 GLU CD C -8.857 -5.687 -0.621 1.00 . A A . 21 GLU CD 1 1 5 2651 1 1 21 GLU CG C -8.404 -4.317 -1.107 1.00 . A A . 21 GLU CG 1 1 5 2652 1 1 21 GLU H H -9.051 -1.825 -0.432 1.00 . A A . 21 GLU H 1 1 5 2653 1 1 21 GLU HA H -6.246 -1.913 0.128 1.00 . A A . 21 GLU HA 1 1 5 2654 1 1 21 GLU HB2 H -6.511 -4.344 -0.082 1.00 . A A . 21 GLU HB2 1 1 5 2655 1 1 21 GLU HB3 H -7.847 -3.651 0.862 1.00 . A A . 21 GLU HB3 1 1 5 2656 1 1 21 GLU HG2 H -9.272 -3.664 -1.191 1.00 . A A . 21 GLU HG2 1 1 5 2657 1 1 21 GLU HG3 H -7.940 -4.425 -2.087 1.00 . A A . 21 GLU HG3 1 1 5 2658 1 1 21 GLU N N -8.138 -1.415 -0.568 1.00 . A A . 21 GLU N 1 1 5 2659 1 1 21 GLU O O -5.174 -2.611 -2.115 1.00 . A A . 21 GLU O 1 1 5 2660 1 1 21 GLU OE1 O -8.177 -6.672 -0.983 1.00 . A A . 21 GLU OE1 1 1 5 2661 1 1 21 GLU OE2 O -9.873 -5.724 0.107 1.00 . A A . 21 GLU OE2 1 1 5 2662 1 1 22 ASP C C -5.510 -0.959 -4.464 1.00 . A A . 22 ASP C 1 1 5 2663 1 1 22 ASP CA C -6.675 -1.941 -4.372 1.00 . A A . 22 ASP CA 1 1 5 2664 1 1 22 ASP CB C -7.820 -1.488 -5.280 1.00 . A A . 22 ASP CB 1 1 5 2665 1 1 22 ASP CG C -9.045 -2.379 -5.107 1.00 . A A . 22 ASP CG 1 1 5 2666 1 1 22 ASP H H -8.129 -1.785 -2.828 1.00 . A A . 22 ASP H 1 1 5 2667 1 1 22 ASP HA H -6.339 -2.932 -4.680 1.00 . A A . 22 ASP HA 1 1 5 2668 1 1 22 ASP HB2 H -8.088 -0.462 -5.030 1.00 . A A . 22 ASP HB2 1 1 5 2669 1 1 22 ASP HB3 H -7.490 -1.529 -6.318 1.00 . A A . 22 ASP HB3 1 1 5 2670 1 1 22 ASP N N -7.154 -2.000 -2.999 1.00 . A A . 22 ASP N 1 1 5 2671 1 1 22 ASP O O -4.496 -1.241 -5.102 1.00 . A A . 22 ASP O 1 1 5 2672 1 1 22 ASP OD1 O -9.753 -2.174 -4.094 1.00 . A A . 22 ASP OD1 1 1 5 2673 1 1 22 ASP OD2 O -9.250 -3.241 -5.986 1.00 . A A . 22 ASP OD2 1 1 5 2674 1 1 23 HIS C C -3.431 0.730 -3.008 1.00 . A A . 23 HIS C 1 1 5 2675 1 1 23 HIS CA C -4.630 1.222 -3.813 1.00 . A A . 23 HIS CA 1 1 5 2676 1 1 23 HIS CB C -5.194 2.511 -3.215 1.00 . A A . 23 HIS CB 1 1 5 2677 1 1 23 HIS CD2 C -6.906 2.814 -5.199 1.00 . A A . 23 HIS CD2 1 1 5 2678 1 1 23 HIS CE1 C -8.369 4.002 -4.202 1.00 . A A . 23 HIS CE1 1 1 5 2679 1 1 23 HIS CG C -6.439 2.987 -3.919 1.00 . A A . 23 HIS CG 1 1 5 2680 1 1 23 HIS H H -6.513 0.377 -3.302 1.00 . A A . 23 HIS H 1 1 5 2681 1 1 23 HIS HA H -4.316 1.410 -4.838 1.00 . A A . 23 HIS HA 1 1 5 2682 1 1 23 HIS HB2 H -5.427 2.336 -2.167 1.00 . A A . 23 HIS HB2 1 1 5 2683 1 1 23 HIS HB3 H -4.433 3.290 -3.281 1.00 . A A . 23 HIS HB3 1 1 5 2684 1 1 23 HIS HD1 H -7.391 4.086 -2.334 1.00 . A A . 23 HIS HD1 1 1 5 2685 1 1 23 HIS HD2 H -6.389 2.251 -5.962 1.00 . A A . 23 HIS HD2 1 1 5 2686 1 1 23 HIS HE1 H -9.254 4.584 -3.992 1.00 . A A . 23 HIS HE1 1 1 5 2687 1 1 23 HIS N N -5.660 0.199 -3.815 1.00 . A A . 23 HIS N 1 1 5 2688 1 1 23 HIS ND1 N -7.406 3.763 -3.289 1.00 . A A . 23 HIS ND1 1 1 5 2689 1 1 23 HIS NE2 N -8.124 3.449 -5.391 1.00 . A A . 23 HIS NE2 1 1 5 2690 1 1 23 HIS O O -2.291 1.073 -3.309 1.00 . A A . 23 HIS O 1 1 5 2691 1 1 24 LEU C C -1.847 -1.664 -1.988 1.00 . A A . 24 LEU C 1 1 5 2692 1 1 24 LEU CA C -2.643 -0.651 -1.163 1.00 . A A . 24 LEU CA 1 1 5 2693 1 1 24 LEU CB C -3.263 -1.325 0.063 1.00 . A A . 24 LEU CB 1 1 5 2694 1 1 24 LEU CD1 C -2.240 -0.171 2.031 1.00 . A A . 24 LEU CD1 1 1 5 2695 1 1 24 LEU CD2 C -2.566 -2.638 2.080 1.00 . A A . 24 LEU CD2 1 1 5 2696 1 1 24 LEU CG C -2.223 -1.441 1.191 1.00 . A A . 24 LEU CG 1 1 5 2697 1 1 24 LEU H H -4.655 -0.330 -1.774 1.00 . A A . 24 LEU H 1 1 5 2698 1 1 24 LEU HA H -1.978 0.149 -0.836 1.00 . A A . 24 LEU HA 1 1 5 2699 1 1 24 LEU HB2 H -4.110 -0.733 0.412 1.00 . A A . 24 LEU HB2 1 1 5 2700 1 1 24 LEU HB3 H -3.613 -2.318 -0.212 1.00 . A A . 24 LEU HB3 1 1 5 2701 1 1 24 LEU HD11 H -3.268 0.108 2.244 1.00 . A A . 24 LEU HD11 1 1 5 2702 1 1 24 LEU HD12 H -1.714 -0.347 2.967 1.00 . A A . 24 LEU HD12 1 1 5 2703 1 1 24 LEU HD13 H -1.752 0.632 1.485 1.00 . A A . 24 LEU HD13 1 1 5 2704 1 1 24 LEU HD21 H -2.576 -3.545 1.479 1.00 . A A . 24 LEU HD21 1 1 5 2705 1 1 24 LEU HD22 H -1.819 -2.732 2.868 1.00 . A A . 24 LEU HD22 1 1 5 2706 1 1 24 LEU HD23 H -3.548 -2.488 2.528 1.00 . A A . 24 LEU HD23 1 1 5 2707 1 1 24 LEU HG H -1.224 -1.576 0.769 1.00 . A A . 24 LEU HG 1 1 5 2708 1 1 24 LEU N N -3.694 -0.086 -1.985 1.00 . A A . 24 LEU N 1 1 5 2709 1 1 24 LEU O O -0.644 -1.784 -1.817 1.00 . A A . 24 LEU O 1 1 5 2710 1 1 25 ALA C C -0.825 -2.767 -4.599 1.00 . A A . 25 ALA C 1 1 5 2711 1 1 25 ALA CA C -1.895 -3.402 -3.713 1.00 . A A . 25 ALA CA 1 1 5 2712 1 1 25 ALA CB C -2.959 -4.098 -4.564 1.00 . A A . 25 ALA CB 1 1 5 2713 1 1 25 ALA H H -3.527 -2.249 -2.982 1.00 . A A . 25 ALA H 1 1 5 2714 1 1 25 ALA HA H -1.422 -4.144 -3.067 1.00 . A A . 25 ALA HA 1 1 5 2715 1 1 25 ALA HB1 H -3.740 -4.496 -3.915 1.00 . A A . 25 ALA HB1 1 1 5 2716 1 1 25 ALA HB2 H -3.396 -3.383 -5.260 1.00 . A A . 25 ALA HB2 1 1 5 2717 1 1 25 ALA HB3 H -2.501 -4.914 -5.122 1.00 . A A . 25 ALA HB3 1 1 5 2718 1 1 25 ALA N N -2.530 -2.393 -2.880 1.00 . A A . 25 ALA N 1 1 5 2719 1 1 25 ALA O O 0.340 -3.154 -4.534 1.00 . A A . 25 ALA O 1 1 5 2720 1 1 26 VAL C C 0.829 -0.443 -5.529 1.00 . A A . 26 VAL C 1 1 5 2721 1 1 26 VAL CA C -0.283 -1.121 -6.331 1.00 . A A . 26 VAL CA 1 1 5 2722 1 1 26 VAL CB C -1.028 -0.098 -7.211 1.00 . A A . 26 VAL CB 1 1 5 2723 1 1 26 VAL CG1 C -2.070 -0.820 -8.071 1.00 . A A . 26 VAL CG1 1 1 5 2724 1 1 26 VAL CG2 C -1.728 0.958 -6.343 1.00 . A A . 26 VAL CG2 1 1 5 2725 1 1 26 VAL H H -2.190 -1.506 -5.442 1.00 . A A . 26 VAL H 1 1 5 2726 1 1 26 VAL HA H 0.168 -1.872 -6.982 1.00 . A A . 26 VAL HA 1 1 5 2727 1 1 26 VAL HB H -0.310 0.399 -7.865 1.00 . A A . 26 VAL HB 1 1 5 2728 1 1 26 VAL HG11 H -1.584 -1.608 -8.646 1.00 . A A . 26 VAL HG11 1 1 5 2729 1 1 26 VAL HG12 H -2.836 -1.257 -7.430 1.00 . A A . 26 VAL HG12 1 1 5 2730 1 1 26 VAL HG13 H -2.533 -0.107 -8.753 1.00 . A A . 26 VAL HG13 1 1 5 2731 1 1 26 VAL HG21 H -2.410 0.470 -5.654 1.00 . A A . 26 VAL HG21 1 1 5 2732 1 1 26 VAL HG22 H -0.987 1.527 -5.778 1.00 . A A . 26 VAL HG22 1 1 5 2733 1 1 26 VAL HG23 H -2.290 1.639 -6.983 1.00 . A A . 26 VAL HG23 1 1 5 2734 1 1 26 VAL N N -1.219 -1.791 -5.430 1.00 . A A . 26 VAL N 1 1 5 2735 1 1 26 VAL O O 1.984 -0.429 -5.953 1.00 . A A . 26 VAL O 1 1 5 2736 1 1 27 HIS C C 2.475 -0.171 -3.002 1.00 . A A . 27 HIS C 1 1 5 2737 1 1 27 HIS CA C 1.423 0.809 -3.524 1.00 . A A . 27 HIS CA 1 1 5 2738 1 1 27 HIS CB C 0.651 1.449 -2.377 1.00 . A A . 27 HIS CB 1 1 5 2739 1 1 27 HIS CD2 C 1.835 1.946 -0.114 1.00 . A A . 27 HIS CD2 1 1 5 2740 1 1 27 HIS CE1 C 2.913 3.699 -0.659 1.00 . A A . 27 HIS CE1 1 1 5 2741 1 1 27 HIS CG C 1.533 2.177 -1.418 1.00 . A A . 27 HIS CG 1 1 5 2742 1 1 27 HIS H H -0.488 0.074 -4.067 1.00 . A A . 27 HIS H 1 1 5 2743 1 1 27 HIS HA H 1.918 1.591 -4.102 1.00 . A A . 27 HIS HA 1 1 5 2744 1 1 27 HIS HB2 H -0.073 2.151 -2.788 1.00 . A A . 27 HIS HB2 1 1 5 2745 1 1 27 HIS HB3 H 0.117 0.667 -1.832 1.00 . A A . 27 HIS HB3 1 1 5 2746 1 1 27 HIS HD1 H 2.254 3.776 -2.662 1.00 . A A . 27 HIS HD1 1 1 5 2747 1 1 27 HIS HD2 H 1.440 1.121 0.452 1.00 . A A . 27 HIS HD2 1 1 5 2748 1 1 27 HIS HE1 H 3.555 4.564 -0.627 1.00 . A A . 27 HIS HE1 1 1 5 2749 1 1 27 HIS N N 0.476 0.120 -4.372 1.00 . A A . 27 HIS N 1 1 5 2750 1 1 27 HIS ND1 N 2.242 3.319 -1.762 1.00 . A A . 27 HIS ND1 1 1 5 2751 1 1 27 HIS NE2 N 2.703 2.900 0.392 1.00 . A A . 27 HIS NE2 1 1 5 2752 1 1 27 HIS O O 3.673 0.103 -3.077 1.00 . A A . 27 HIS O 1 1 5 2753 1 1 28 LYS C C 3.783 -2.878 -3.076 1.00 . A A . 28 LYS C 1 1 5 2754 1 1 28 LYS CA C 2.912 -2.334 -1.953 1.00 . A A . 28 LYS CA 1 1 5 2755 1 1 28 LYS CB C 2.087 -3.456 -1.319 1.00 . A A . 28 LYS CB 1 1 5 2756 1 1 28 LYS CD C 0.912 -4.185 0.784 1.00 . A A . 28 LYS CD 1 1 5 2757 1 1 28 LYS CE C -0.193 -4.795 -0.090 1.00 . A A . 28 LYS CE 1 1 5 2758 1 1 28 LYS CG C 1.590 -3.015 0.060 1.00 . A A . 28 LYS CG 1 1 5 2759 1 1 28 LYS H H 1.028 -1.483 -2.441 1.00 . A A . 28 LYS H 1 1 5 2760 1 1 28 LYS HA H 3.552 -1.889 -1.190 1.00 . A A . 28 LYS HA 1 1 5 2761 1 1 28 LYS HB2 H 1.238 -3.684 -1.963 1.00 . A A . 28 LYS HB2 1 1 5 2762 1 1 28 LYS HB3 H 2.710 -4.345 -1.211 1.00 . A A . 28 LYS HB3 1 1 5 2763 1 1 28 LYS HD2 H 1.656 -4.947 1.012 1.00 . A A . 28 LYS HD2 1 1 5 2764 1 1 28 LYS HD3 H 0.475 -3.819 1.714 1.00 . A A . 28 LYS HD3 1 1 5 2765 1 1 28 LYS HE2 H -0.861 -4.004 -0.431 1.00 . A A . 28 LYS HE2 1 1 5 2766 1 1 28 LYS HE3 H 0.258 -5.281 -0.955 1.00 . A A . 28 LYS HE3 1 1 5 2767 1 1 28 LYS HG2 H 2.439 -2.674 0.655 1.00 . A A . 28 LYS HG2 1 1 5 2768 1 1 28 LYS HG3 H 0.883 -2.197 -0.051 1.00 . A A . 28 LYS HG3 1 1 5 2769 1 1 28 LYS HZ1 H -1.392 -5.359 1.470 1.00 . A A . 28 LYS HZ1 1 1 5 2770 1 1 28 LYS HZ2 H -1.698 -6.173 0.070 1.00 . A A . 28 LYS HZ2 1 1 5 2771 1 1 28 LYS HZ3 H -0.362 -6.542 0.964 1.00 . A A . 28 LYS HZ3 1 1 5 2772 1 1 28 LYS N N 2.021 -1.313 -2.477 1.00 . A A . 28 LYS N 1 1 5 2773 1 1 28 LYS NZ N -0.972 -5.795 0.663 1.00 . A A . 28 LYS NZ 1 1 5 2774 1 1 28 LYS O O 4.974 -3.071 -2.891 1.00 . A A . 28 LYS O 1 1 5 2775 1 1 29 HIS C C 5.088 -2.683 -5.715 1.00 . A A . 29 HIS C 1 1 5 2776 1 1 29 HIS CA C 3.928 -3.626 -5.391 1.00 . A A . 29 HIS CA 1 1 5 2777 1 1 29 HIS CB C 2.985 -3.765 -6.591 1.00 . A A . 29 HIS CB 1 1 5 2778 1 1 29 HIS CD2 C 3.488 -4.017 -9.164 1.00 . A A . 29 HIS CD2 1 1 5 2779 1 1 29 HIS CE1 C 5.135 -5.366 -9.061 1.00 . A A . 29 HIS CE1 1 1 5 2780 1 1 29 HIS CG C 3.686 -4.261 -7.830 1.00 . A A . 29 HIS CG 1 1 5 2781 1 1 29 HIS H H 2.196 -2.952 -4.352 1.00 . A A . 29 HIS H 1 1 5 2782 1 1 29 HIS HA H 4.330 -4.610 -5.143 1.00 . A A . 29 HIS HA 1 1 5 2783 1 1 29 HIS HB2 H 2.189 -4.463 -6.334 1.00 . A A . 29 HIS HB2 1 1 5 2784 1 1 29 HIS HB3 H 2.543 -2.792 -6.806 1.00 . A A . 29 HIS HB3 1 1 5 2785 1 1 29 HIS HD1 H 5.187 -5.537 -6.957 1.00 . A A . 29 HIS HD1 1 1 5 2786 1 1 29 HIS HD2 H 2.720 -3.365 -9.553 1.00 . A A . 29 HIS HD2 1 1 5 2787 1 1 29 HIS HE1 H 5.953 -6.016 -9.335 1.00 . A A . 29 HIS HE1 1 1 5 2788 1 1 29 HIS N N 3.188 -3.122 -4.248 1.00 . A A . 29 HIS N 1 1 5 2789 1 1 29 HIS ND1 N 4.764 -5.143 -7.786 1.00 . A A . 29 HIS ND1 1 1 5 2790 1 1 29 HIS NE2 N 4.395 -4.708 -9.954 1.00 . A A . 29 HIS NE2 1 1 5 2791 1 1 29 HIS O O 6.165 -3.136 -6.094 1.00 . A A . 29 HIS O 1 1 5 2792 1 1 30 LYS C C 7.042 -0.508 -4.819 1.00 . A A . 30 LYS C 1 1 5 2793 1 1 30 LYS CA C 5.901 -0.379 -5.833 1.00 . A A . 30 LYS CA 1 1 5 2794 1 1 30 LYS CB C 5.291 1.027 -5.799 1.00 . A A . 30 LYS CB 1 1 5 2795 1 1 30 LYS CD C 5.451 3.349 -6.745 1.00 . A A . 30 LYS CD 1 1 5 2796 1 1 30 LYS CE C 6.199 4.177 -5.695 1.00 . A A . 30 LYS CE 1 1 5 2797 1 1 30 LYS CG C 6.022 1.926 -6.803 1.00 . A A . 30 LYS CG 1 1 5 2798 1 1 30 LYS H H 3.962 -1.044 -5.247 1.00 . A A . 30 LYS H 1 1 5 2799 1 1 30 LYS HA H 6.300 -0.565 -6.828 1.00 . A A . 30 LYS HA 1 1 5 2800 1 1 30 LYS HB2 H 4.236 0.973 -6.068 1.00 . A A . 30 LYS HB2 1 1 5 2801 1 1 30 LYS HB3 H 5.386 1.443 -4.796 1.00 . A A . 30 LYS HB3 1 1 5 2802 1 1 30 LYS HD2 H 5.560 3.822 -7.723 1.00 . A A . 30 LYS HD2 1 1 5 2803 1 1 30 LYS HD3 H 4.393 3.304 -6.484 1.00 . A A . 30 LYS HD3 1 1 5 2804 1 1 30 LYS HE2 H 5.627 5.083 -5.484 1.00 . A A . 30 LYS HE2 1 1 5 2805 1 1 30 LYS HE3 H 6.297 3.597 -4.778 1.00 . A A . 30 LYS HE3 1 1 5 2806 1 1 30 LYS HG2 H 7.086 1.946 -6.567 1.00 . A A . 30 LYS HG2 1 1 5 2807 1 1 30 LYS HG3 H 5.884 1.525 -7.809 1.00 . A A . 30 LYS HG3 1 1 5 2808 1 1 30 LYS HZ1 H 7.455 5.055 -7.060 1.00 . A A . 30 LYS HZ1 1 1 5 2809 1 1 30 LYS HZ2 H 7.985 5.160 -5.499 1.00 . A A . 30 LYS HZ2 1 1 5 2810 1 1 30 LYS HZ3 H 8.100 3.732 -6.314 1.00 . A A . 30 LYS HZ3 1 1 5 2811 1 1 30 LYS N N 4.868 -1.368 -5.561 1.00 . A A . 30 LYS N 1 1 5 2812 1 1 30 LYS NZ N 7.539 4.560 -6.177 1.00 . A A . 30 LYS NZ 1 1 5 2813 1 1 30 LYS O O 8.192 -0.225 -5.148 1.00 . A A . 30 LYS O 1 1 5 2814 1 1 31 HIS C C 8.480 -2.448 -2.849 1.00 . A A . 31 HIS C 1 1 5 2815 1 1 31 HIS CA C 7.739 -1.144 -2.563 1.00 . A A . 31 HIS CA 1 1 5 2816 1 1 31 HIS CB C 7.078 -1.188 -1.182 1.00 . A A . 31 HIS CB 1 1 5 2817 1 1 31 HIS CD2 C 5.415 0.626 -0.238 1.00 . A A . 31 HIS CD2 1 1 5 2818 1 1 31 HIS CE1 C 6.740 2.297 -0.192 1.00 . A A . 31 HIS CE1 1 1 5 2819 1 1 31 HIS CG C 6.620 0.165 -0.709 1.00 . A A . 31 HIS CG 1 1 5 2820 1 1 31 HIS H H 5.764 -1.149 -3.363 1.00 . A A . 31 HIS H 1 1 5 2821 1 1 31 HIS HA H 8.452 -0.318 -2.591 1.00 . A A . 31 HIS HA 1 1 5 2822 1 1 31 HIS HB2 H 6.221 -1.853 -1.224 1.00 . A A . 31 HIS HB2 1 1 5 2823 1 1 31 HIS HB3 H 7.794 -1.583 -0.462 1.00 . A A . 31 HIS HB3 1 1 5 2824 1 1 31 HIS HD1 H 8.437 1.292 -0.946 1.00 . A A . 31 HIS HD1 1 1 5 2825 1 1 31 HIS HD2 H 4.524 0.016 -0.133 1.00 . A A . 31 HIS HD2 1 1 5 2826 1 1 31 HIS HE1 H 7.143 3.289 -0.051 1.00 . A A . 31 HIS HE1 1 1 5 2827 1 1 31 HIS N N 6.728 -0.942 -3.590 1.00 . A A . 31 HIS N 1 1 5 2828 1 1 31 HIS ND1 N 7.465 1.267 -0.670 1.00 . A A . 31 HIS ND1 1 1 5 2829 1 1 31 HIS NE2 N 5.480 1.972 0.095 1.00 . A A . 31 HIS NE2 1 1 5 2830 1 1 31 HIS O O 9.698 -2.447 -3.016 1.00 . A A . 31 HIS O 1 1 5 2831 1 1 32 GLU C C 8.418 -5.014 -4.735 1.00 . A A . 32 GLU C 1 1 5 2832 1 1 32 GLU CA C 8.298 -4.865 -3.216 1.00 . A A . 32 GLU CA 1 1 5 2833 1 1 32 GLU CB C 7.402 -5.963 -2.625 1.00 . A A . 32 GLU CB 1 1 5 2834 1 1 32 GLU CD C 6.266 -4.977 -0.584 1.00 . A A . 32 GLU CD 1 1 5 2835 1 1 32 GLU CG C 7.392 -5.876 -1.089 1.00 . A A . 32 GLU CG 1 1 5 2836 1 1 32 GLU H H 6.737 -3.494 -2.767 1.00 . A A . 32 GLU H 1 1 5 2837 1 1 32 GLU HA H 9.292 -4.938 -2.773 1.00 . A A . 32 GLU HA 1 1 5 2838 1 1 32 GLU HB2 H 6.386 -5.849 -3.004 1.00 . A A . 32 GLU HB2 1 1 5 2839 1 1 32 GLU HB3 H 7.789 -6.938 -2.923 1.00 . A A . 32 GLU HB3 1 1 5 2840 1 1 32 GLU HG2 H 7.252 -6.876 -0.680 1.00 . A A . 32 GLU HG2 1 1 5 2841 1 1 32 GLU HG3 H 8.348 -5.482 -0.744 1.00 . A A . 32 GLU HG3 1 1 5 2842 1 1 32 GLU N N 7.733 -3.557 -2.918 1.00 . A A . 32 GLU N 1 1 5 2843 1 1 32 GLU O O 7.947 -5.994 -5.313 1.00 . A A . 32 GLU O 1 1 5 2844 1 1 32 GLU OE1 O 5.096 -5.317 -0.865 1.00 . A A . 32 GLU OE1 1 1 5 2845 1 1 32 GLU OE2 O 6.597 -3.969 0.077 1.00 . A A . 32 GLU OE2 1 1 5 2846 1 1 33 MET C C 10.484 -4.752 -7.227 1.00 . A A . 33 MET C 1 1 5 2847 1 1 33 MET CA C 9.219 -4.002 -6.818 1.00 . A A . 33 MET CA 1 1 5 2848 1 1 33 MET CB C 9.268 -2.542 -7.304 1.00 . A A . 33 MET CB 1 1 5 2849 1 1 33 MET CE C 13.139 -1.196 -6.375 1.00 . A A . 33 MET CE 1 1 5 2850 1 1 33 MET CG C 10.467 -1.790 -6.690 1.00 . A A . 33 MET CG 1 1 5 2851 1 1 33 MET H H 9.417 -3.252 -4.836 1.00 . A A . 33 MET H 1 1 5 2852 1 1 33 MET HA H 8.360 -4.491 -7.279 1.00 . A A . 33 MET HA 1 1 5 2853 1 1 33 MET HB2 H 9.352 -2.528 -8.390 1.00 . A A . 33 MET HB2 1 1 5 2854 1 1 33 MET HB3 H 8.347 -2.040 -7.014 1.00 . A A . 33 MET HB3 1 1 5 2855 1 1 33 MET HE1 H 12.825 -0.156 -6.314 1.00 . A A . 33 MET HE1 1 1 5 2856 1 1 33 MET HE2 H 13.083 -1.651 -5.386 1.00 . A A . 33 MET HE2 1 1 5 2857 1 1 33 MET HE3 H 14.165 -1.244 -6.738 1.00 . A A . 33 MET HE3 1 1 5 2858 1 1 33 MET HG2 H 10.260 -0.721 -6.738 1.00 . A A . 33 MET HG2 1 1 5 2859 1 1 33 MET HG3 H 10.565 -2.072 -5.645 1.00 . A A . 33 MET HG3 1 1 5 2860 1 1 33 MET N N 9.048 -4.023 -5.372 1.00 . A A . 33 MET N 1 1 5 2861 1 1 33 MET O O 11.214 -5.268 -6.382 1.00 . A A . 33 MET O 1 1 5 2862 1 1 33 MET SD S 12.054 -2.091 -7.513 1.00 . A A . 33 MET SD 1 1 5 2863 1 1 34 THR C C 12.517 -4.509 -10.163 1.00 . A A . 34 THR C 1 1 5 2864 1 1 34 THR CA C 11.909 -5.434 -9.108 1.00 . A A . 34 THR CA 1 1 5 2865 1 1 34 THR CB C 11.511 -6.781 -9.726 1.00 . A A . 34 THR CB 1 1 5 2866 1 1 34 THR CG2 C 11.229 -7.799 -8.619 1.00 . A A . 34 THR CG2 1 1 5 2867 1 1 34 THR H H 10.083 -4.356 -9.178 1.00 . A A . 34 THR H 1 1 5 2868 1 1 34 THR HA H 12.644 -5.604 -8.321 1.00 . A A . 34 THR HA 1 1 5 2869 1 1 34 THR HB H 12.329 -7.146 -10.351 1.00 . A A . 34 THR HB 1 1 5 2870 1 1 34 THR HG1 H 9.593 -6.538 -9.937 1.00 . A A . 34 THR HG1 1 1 5 2871 1 1 34 THR HG21 H 12.108 -7.899 -7.982 1.00 . A A . 34 THR HG21 1 1 5 2872 1 1 34 THR HG22 H 10.383 -7.463 -8.019 1.00 . A A . 34 THR HG22 1 1 5 2873 1 1 34 THR HG23 H 10.995 -8.766 -9.065 1.00 . A A . 34 THR HG23 1 1 5 2874 1 1 34 THR N N 10.732 -4.793 -8.543 1.00 . A A . 34 THR N 1 1 5 2875 1 1 34 THR O O 13.672 -4.104 -10.045 1.00 . A A . 34 THR O 1 1 5 2876 1 1 34 THR OG1 O 10.353 -6.618 -10.520 1.00 . A A . 34 THR OG1 1 1 5 2877 1 1 35 LEU C C 11.681 -1.870 -12.014 1.00 . A A . 35 LEU C 1 1 5 2878 1 1 35 LEU CA C 12.162 -3.301 -12.274 1.00 . A A . 35 LEU CA 1 1 5 2879 1 1 35 LEU CB C 11.602 -3.837 -13.600 1.00 . A A . 35 LEU CB 1 1 5 2880 1 1 35 LEU CD1 C 13.557 -2.966 -14.930 1.00 . A A . 35 LEU CD1 1 1 5 2881 1 1 35 LEU CD2 C 11.389 -3.467 -16.065 1.00 . A A . 35 LEU CD2 1 1 5 2882 1 1 35 LEU CG C 12.032 -2.945 -14.778 1.00 . A A . 35 LEU CG 1 1 5 2883 1 1 35 LEU H H 10.784 -4.544 -11.229 1.00 . A A . 35 LEU H 1 1 5 2884 1 1 35 LEU HA H 13.250 -3.308 -12.319 1.00 . A A . 35 LEU HA 1 1 5 2885 1 1 35 LEU HB2 H 11.970 -4.850 -13.762 1.00 . A A . 35 LEU HB2 1 1 5 2886 1 1 35 LEU HB3 H 10.512 -3.857 -13.547 1.00 . A A . 35 LEU HB3 1 1 5 2887 1 1 35 LEU HD11 H 13.914 -3.996 -14.896 1.00 . A A . 35 LEU HD11 1 1 5 2888 1 1 35 LEU HD12 H 13.833 -2.519 -15.885 1.00 . A A . 35 LEU HD12 1 1 5 2889 1 1 35 LEU HD13 H 14.014 -2.396 -14.122 1.00 . A A . 35 LEU HD13 1 1 5 2890 1 1 35 LEU HD21 H 10.304 -3.462 -15.958 1.00 . A A . 35 LEU HD21 1 1 5 2891 1 1 35 LEU HD22 H 11.673 -2.827 -16.900 1.00 . A A . 35 LEU HD22 1 1 5 2892 1 1 35 LEU HD23 H 11.730 -4.485 -16.255 1.00 . A A . 35 LEU HD23 1 1 5 2893 1 1 35 LEU HG H 11.700 -1.922 -14.604 1.00 . A A . 35 LEU HG 1 1 5 2894 1 1 35 LEU N N 11.724 -4.176 -11.192 1.00 . A A . 35 LEU N 1 1 5 2895 1 1 35 LEU O O 12.431 -0.923 -12.232 1.00 . A A . 35 LEU O 1 1 5 2896 1 1 36 LYS C C 9.959 0.567 -12.382 1.00 . A A . 36 LYS C 1 1 5 2897 1 1 36 LYS CA C 9.782 -0.450 -11.243 1.00 . A A . 36 LYS CA 1 1 5 2898 1 1 36 LYS CB C 10.295 0.109 -9.893 1.00 . A A . 36 LYS CB 1 1 5 2899 1 1 36 LYS CD C 12.085 1.534 -8.852 1.00 . A A . 36 LYS CD 1 1 5 2900 1 1 36 LYS CE C 12.191 2.944 -9.442 1.00 . A A . 36 LYS CE 1 1 5 2901 1 1 36 LYS CG C 11.773 0.533 -9.971 1.00 . A A . 36 LYS CG 1 1 5 2902 1 1 36 LYS H H 9.874 -2.571 -11.397 1.00 . A A . 36 LYS H 1 1 5 2903 1 1 36 LYS HA H 8.713 -0.634 -11.134 1.00 . A A . 36 LYS HA 1 1 5 2904 1 1 36 LYS HB2 H 9.690 0.970 -9.610 1.00 . A A . 36 LYS HB2 1 1 5 2905 1 1 36 LYS HB3 H 10.188 -0.657 -9.131 1.00 . A A . 36 LYS HB3 1 1 5 2906 1 1 36 LYS HD2 H 11.292 1.507 -8.104 1.00 . A A . 36 LYS HD2 1 1 5 2907 1 1 36 LYS HD3 H 13.034 1.267 -8.382 1.00 . A A . 36 LYS HD3 1 1 5 2908 1 1 36 LYS HE2 H 13.105 3.016 -10.032 1.00 . A A . 36 LYS HE2 1 1 5 2909 1 1 36 LYS HE3 H 11.335 3.126 -10.089 1.00 . A A . 36 LYS HE3 1 1 5 2910 1 1 36 LYS HG2 H 12.407 -0.345 -9.854 1.00 . A A . 36 LYS HG2 1 1 5 2911 1 1 36 LYS HG3 H 11.976 0.999 -10.933 1.00 . A A . 36 LYS HG3 1 1 5 2912 1 1 36 LYS HZ1 H 12.852 3.686 -7.653 1.00 . A A . 36 LYS HZ1 1 1 5 2913 1 1 36 LYS HZ2 H 12.522 4.848 -8.775 1.00 . A A . 36 LYS HZ2 1 1 5 2914 1 1 36 LYS HZ3 H 11.281 4.080 -8.001 1.00 . A A . 36 LYS HZ3 1 1 5 2915 1 1 36 LYS N N 10.422 -1.739 -11.548 1.00 . A A . 36 LYS N 1 1 5 2916 1 1 36 LYS NZ N 12.216 3.969 -8.384 1.00 . A A . 36 LYS NZ 1 1 5 2917 1 1 36 LYS O O 10.274 0.204 -13.514 1.00 . A A . 36 LYS O 1 1 5 2918 1 1 37 PHE C C 10.074 4.241 -12.239 1.00 . A A . 37 PHE C 1 1 5 2919 1 1 37 PHE CA C 9.866 2.939 -13.010 1.00 . A A . 37 PHE CA 1 1 5 2920 1 1 37 PHE CB C 8.605 3.011 -13.879 1.00 . A A . 37 PHE CB 1 1 5 2921 1 1 37 PHE CD1 C 9.340 4.023 -16.078 1.00 . A A . 37 PHE CD1 1 1 5 2922 1 1 37 PHE CD2 C 7.942 5.350 -14.587 1.00 . A A . 37 PHE CD2 1 1 5 2923 1 1 37 PHE CE1 C 9.363 5.084 -16.998 1.00 . A A . 37 PHE CE1 1 1 5 2924 1 1 37 PHE CE2 C 7.967 6.410 -15.508 1.00 . A A . 37 PHE CE2 1 1 5 2925 1 1 37 PHE CG C 8.629 4.154 -14.871 1.00 . A A . 37 PHE CG 1 1 5 2926 1 1 37 PHE CZ C 8.677 6.278 -16.715 1.00 . A A . 37 PHE CZ 1 1 5 2927 1 1 37 PHE H H 9.476 2.078 -11.115 1.00 . A A . 37 PHE H 1 1 5 2928 1 1 37 PHE HA H 10.733 2.761 -13.650 1.00 . A A . 37 PHE HA 1 1 5 2929 1 1 37 PHE HB2 H 8.505 2.074 -14.428 1.00 . A A . 37 PHE HB2 1 1 5 2930 1 1 37 PHE HB3 H 7.738 3.127 -13.229 1.00 . A A . 37 PHE HB3 1 1 5 2931 1 1 37 PHE HD1 H 9.868 3.107 -16.297 1.00 . A A . 37 PHE HD1 1 1 5 2932 1 1 37 PHE HD2 H 7.396 5.453 -13.661 1.00 . A A . 37 PHE HD2 1 1 5 2933 1 1 37 PHE HE1 H 9.910 4.983 -17.925 1.00 . A A . 37 PHE HE1 1 1 5 2934 1 1 37 PHE HE2 H 7.440 7.328 -15.290 1.00 . A A . 37 PHE HE2 1 1 5 2935 1 1 37 PHE HZ H 8.697 7.094 -17.423 1.00 . A A . 37 PHE HZ 1 1 5 2936 1 1 37 PHE N N 9.740 1.848 -12.059 1.00 . A A . 37 PHE N 1 1 5 2937 1 1 37 PHE O O 10.982 5.009 -12.547 1.00 . A A . 37 PHE O 1 1 5 2938 1 1 38 GLY C C 8.846 5.325 -8.974 1.00 . A A . 38 GLY C 1 1 5 2939 1 1 38 GLY CA C 9.319 5.658 -10.387 1.00 . A A . 38 GLY CA 1 1 5 2940 1 1 38 GLY H H 8.498 3.809 -11.023 1.00 . A A . 38 GLY H 1 1 5 2941 1 1 38 GLY HA2 H 10.353 6.003 -10.349 1.00 . A A . 38 GLY HA2 1 1 5 2942 1 1 38 GLY HA3 H 8.691 6.446 -10.803 1.00 . A A . 38 GLY HA3 1 1 5 2943 1 1 38 GLY N N 9.228 4.475 -11.224 1.00 . A A . 38 GLY N 1 1 5 2944 1 1 38 GLY O O 7.630 5.485 -8.737 1.00 . A A . 38 GLY O 1 1 5 2945 1 1 38 GLY OXT O 9.642 4.686 -8.248 1.00 . A A . 38 GLY OXT 1 1 6 2946 1 1 1 MET C C -8.755 -6.252 11.622 1.00 . A A . 1 MET C 1 1 6 2947 1 1 1 MET CA C -7.288 -6.364 11.211 1.00 . A A . 1 MET CA 1 1 6 2948 1 1 1 MET CB C -7.089 -7.510 10.208 1.00 . A A . 1 MET CB 1 1 6 2949 1 1 1 MET CE C -5.451 -10.088 9.113 1.00 . A A . 1 MET CE 1 1 6 2950 1 1 1 MET CG C -5.734 -7.364 9.509 1.00 . A A . 1 MET CG 1 1 6 2951 1 1 1 MET H1 H -6.589 -5.799 13.046 1.00 . A A . 1 MET H1 1 1 6 2952 1 1 1 MET H2 H -6.700 -7.433 12.850 1.00 . A A . 1 MET H2 1 1 6 2953 1 1 1 MET H3 H -5.475 -6.597 12.127 1.00 . A A . 1 MET H3 1 1 6 2954 1 1 1 MET HA H -6.993 -5.429 10.735 1.00 . A A . 1 MET HA 1 1 6 2955 1 1 1 MET HB2 H -7.125 -8.464 10.734 1.00 . A A . 1 MET HB2 1 1 6 2956 1 1 1 MET HB3 H -7.884 -7.480 9.461 1.00 . A A . 1 MET HB3 1 1 6 2957 1 1 1 MET HE1 H -4.704 -10.020 9.902 1.00 . A A . 1 MET HE1 1 1 6 2958 1 1 1 MET HE2 H -6.432 -10.255 9.553 1.00 . A A . 1 MET HE2 1 1 6 2959 1 1 1 MET HE3 H -5.205 -10.918 8.451 1.00 . A A . 1 MET HE3 1 1 6 2960 1 1 1 MET HG2 H -5.663 -6.356 9.097 1.00 . A A . 1 MET HG2 1 1 6 2961 1 1 1 MET HG3 H -4.942 -7.495 10.245 1.00 . A A . 1 MET HG3 1 1 6 2962 1 1 1 MET N N -6.446 -6.565 12.402 1.00 . A A . 1 MET N 1 1 6 2963 1 1 1 MET O O -9.241 -5.154 11.868 1.00 . A A . 1 MET O 1 1 6 2964 1 1 1 MET SD S -5.468 -8.547 8.161 1.00 . A A . 1 MET SD 1 1 6 2965 1 1 2 SER C C -11.681 -6.581 11.107 1.00 . A A . 2 SER C 1 1 6 2966 1 1 2 SER CA C -10.859 -7.428 12.079 1.00 . A A . 2 SER CA 1 1 6 2967 1 1 2 SER CB C -11.021 -6.932 13.523 1.00 . A A . 2 SER CB 1 1 6 2968 1 1 2 SER H H -8.998 -8.270 11.490 1.00 . A A . 2 SER H 1 1 6 2969 1 1 2 SER HA H -11.210 -8.461 12.025 1.00 . A A . 2 SER HA 1 1 6 2970 1 1 2 SER HB2 H -10.829 -5.860 13.568 1.00 . A A . 2 SER HB2 1 1 6 2971 1 1 2 SER HB3 H -12.039 -7.130 13.861 1.00 . A A . 2 SER HB3 1 1 6 2972 1 1 2 SER HG H -10.245 -7.313 15.265 1.00 . A A . 2 SER HG 1 1 6 2973 1 1 2 SER N N -9.452 -7.396 11.700 1.00 . A A . 2 SER N 1 1 6 2974 1 1 2 SER O O -12.388 -5.666 11.524 1.00 . A A . 2 SER O 1 1 6 2975 1 1 2 SER OG O -10.107 -7.610 14.362 1.00 . A A . 2 SER OG 1 1 6 2976 1 1 3 ASP C C -12.002 -4.687 8.829 1.00 . A A . 3 ASP C 1 1 6 2977 1 1 3 ASP CA C -12.303 -6.191 8.756 1.00 . A A . 3 ASP CA 1 1 6 2978 1 1 3 ASP CB C -13.807 -6.483 8.894 1.00 . A A . 3 ASP CB 1 1 6 2979 1 1 3 ASP CG C -14.601 -5.863 7.751 1.00 . A A . 3 ASP CG 1 1 6 2980 1 1 3 ASP H H -10.977 -7.664 9.532 1.00 . A A . 3 ASP H 1 1 6 2981 1 1 3 ASP HA H -11.962 -6.567 7.790 1.00 . A A . 3 ASP HA 1 1 6 2982 1 1 3 ASP HB2 H -13.963 -7.561 8.889 1.00 . A A . 3 ASP HB2 1 1 6 2983 1 1 3 ASP HB3 H -14.169 -6.076 9.837 1.00 . A A . 3 ASP HB3 1 1 6 2984 1 1 3 ASP N N -11.578 -6.901 9.806 1.00 . A A . 3 ASP N 1 1 6 2985 1 1 3 ASP O O -12.916 -3.855 8.818 1.00 . A A . 3 ASP O 1 1 6 2986 1 1 3 ASP OD1 O -14.064 -5.847 6.621 1.00 . A A . 3 ASP OD1 1 1 6 2987 1 1 3 ASP OD2 O -15.731 -5.405 8.022 1.00 . A A . 3 ASP OD2 1 1 6 2988 1 1 4 ASP C C -10.508 -2.262 7.641 1.00 . A A . 4 ASP C 1 1 6 2989 1 1 4 ASP CA C -10.279 -2.955 8.981 1.00 . A A . 4 ASP CA 1 1 6 2990 1 1 4 ASP CB C -8.797 -2.897 9.370 1.00 . A A . 4 ASP CB 1 1 6 2991 1 1 4 ASP CG C -7.936 -3.709 8.407 1.00 . A A . 4 ASP CG 1 1 6 2992 1 1 4 ASP H H -9.997 -5.062 8.903 1.00 . A A . 4 ASP H 1 1 6 2993 1 1 4 ASP HA H -10.865 -2.447 9.748 1.00 . A A . 4 ASP HA 1 1 6 2994 1 1 4 ASP HB2 H -8.464 -1.859 9.357 1.00 . A A . 4 ASP HB2 1 1 6 2995 1 1 4 ASP HB3 H -8.676 -3.293 10.376 1.00 . A A . 4 ASP HB3 1 1 6 2996 1 1 4 ASP N N -10.710 -4.342 8.903 1.00 . A A . 4 ASP N 1 1 6 2997 1 1 4 ASP O O -10.283 -2.850 6.585 1.00 . A A . 4 ASP O 1 1 6 2998 1 1 4 ASP OD1 O -8.039 -4.956 8.467 1.00 . A A . 4 ASP OD1 1 1 6 2999 1 1 4 ASP OD2 O -7.192 -3.071 7.633 1.00 . A A . 4 ASP OD2 1 1 6 3000 1 1 5 LYS C C -9.980 0.665 6.157 1.00 . A A . 5 LYS C 1 1 6 3001 1 1 5 LYS CA C -11.206 -0.207 6.500 1.00 . A A . 5 LYS CA 1 1 6 3002 1 1 5 LYS CB C -12.471 0.646 6.693 1.00 . A A . 5 LYS CB 1 1 6 3003 1 1 5 LYS CD C -14.112 -0.904 5.552 1.00 . A A . 5 LYS CD 1 1 6 3004 1 1 5 LYS CE C -13.773 -2.403 5.538 1.00 . A A . 5 LYS CE 1 1 6 3005 1 1 5 LYS CG C -13.698 -0.262 6.890 1.00 . A A . 5 LYS CG 1 1 6 3006 1 1 5 LYS H H -11.134 -0.579 8.592 1.00 . A A . 5 LYS H 1 1 6 3007 1 1 5 LYS HA H -11.377 -0.881 5.663 1.00 . A A . 5 LYS HA 1 1 6 3008 1 1 5 LYS HB2 H -12.355 1.281 7.566 1.00 . A A . 5 LYS HB2 1 1 6 3009 1 1 5 LYS HB3 H -12.622 1.273 5.813 1.00 . A A . 5 LYS HB3 1 1 6 3010 1 1 5 LYS HD2 H -15.186 -0.779 5.412 1.00 . A A . 5 LYS HD2 1 1 6 3011 1 1 5 LYS HD3 H -13.588 -0.410 4.733 1.00 . A A . 5 LYS HD3 1 1 6 3012 1 1 5 LYS HE2 H -14.011 -2.809 4.554 1.00 . A A . 5 LYS HE2 1 1 6 3013 1 1 5 LYS HE3 H -12.710 -2.537 5.726 1.00 . A A . 5 LYS HE3 1 1 6 3014 1 1 5 LYS HG2 H -13.465 -1.038 7.617 1.00 . A A . 5 LYS HG2 1 1 6 3015 1 1 5 LYS HG3 H -14.526 0.340 7.266 1.00 . A A . 5 LYS HG3 1 1 6 3016 1 1 5 LYS HZ1 H -15.502 -2.849 6.542 1.00 . A A . 5 LYS HZ1 1 1 6 3017 1 1 5 LYS HZ2 H -14.487 -4.139 6.355 1.00 . A A . 5 LYS HZ2 1 1 6 3018 1 1 5 LYS HZ3 H -14.142 -2.972 7.473 1.00 . A A . 5 LYS HZ3 1 1 6 3019 1 1 5 LYS N N -10.959 -1.002 7.695 1.00 . A A . 5 LYS N 1 1 6 3020 1 1 5 LYS NZ N -14.537 -3.144 6.556 1.00 . A A . 5 LYS NZ 1 1 6 3021 1 1 5 LYS O O -9.642 0.774 4.983 1.00 . A A . 5 LYS O 1 1 6 3022 1 1 6 PRO C C -6.911 1.195 6.702 1.00 . A A . 6 PRO C 1 1 6 3023 1 1 6 PRO CA C -8.130 2.101 6.877 1.00 . A A . 6 PRO CA 1 1 6 3024 1 1 6 PRO CB C -7.979 3.008 8.095 1.00 . A A . 6 PRO CB 1 1 6 3025 1 1 6 PRO CD C -9.633 1.257 8.564 1.00 . A A . 6 PRO CD 1 1 6 3026 1 1 6 PRO CG C -8.787 2.353 9.219 1.00 . A A . 6 PRO CG 1 1 6 3027 1 1 6 PRO HA H -8.284 2.700 5.980 1.00 . A A . 6 PRO HA 1 1 6 3028 1 1 6 PRO HB2 H -6.931 3.093 8.378 1.00 . A A . 6 PRO HB2 1 1 6 3029 1 1 6 PRO HB3 H -8.387 3.992 7.871 1.00 . A A . 6 PRO HB3 1 1 6 3030 1 1 6 PRO HD2 H -9.370 0.290 8.989 1.00 . A A . 6 PRO HD2 1 1 6 3031 1 1 6 PRO HD3 H -10.687 1.464 8.715 1.00 . A A . 6 PRO HD3 1 1 6 3032 1 1 6 PRO HG2 H -8.114 1.913 9.956 1.00 . A A . 6 PRO HG2 1 1 6 3033 1 1 6 PRO HG3 H -9.434 3.091 9.697 1.00 . A A . 6 PRO HG3 1 1 6 3034 1 1 6 PRO N N -9.297 1.296 7.151 1.00 . A A . 6 PRO N 1 1 6 3035 1 1 6 PRO O O -6.264 0.826 7.681 1.00 . A A . 6 PRO O 1 1 6 3036 1 1 7 PHE C C -4.173 0.701 5.253 1.00 . A A . 7 PHE C 1 1 6 3037 1 1 7 PHE CA C -5.494 -0.057 5.163 1.00 . A A . 7 PHE CA 1 1 6 3038 1 1 7 PHE CB C -5.684 -0.648 3.769 1.00 . A A . 7 PHE CB 1 1 6 3039 1 1 7 PHE CD1 C -7.336 -2.521 4.128 1.00 . A A . 7 PHE CD1 1 1 6 3040 1 1 7 PHE CD2 C -8.039 -0.561 2.872 1.00 . A A . 7 PHE CD2 1 1 6 3041 1 1 7 PHE CE1 C -8.614 -3.082 3.969 1.00 . A A . 7 PHE CE1 1 1 6 3042 1 1 7 PHE CE2 C -9.317 -1.120 2.715 1.00 . A A . 7 PHE CE2 1 1 6 3043 1 1 7 PHE CG C -7.049 -1.262 3.578 1.00 . A A . 7 PHE CG 1 1 6 3044 1 1 7 PHE CZ C -9.604 -2.382 3.262 1.00 . A A . 7 PHE CZ 1 1 6 3045 1 1 7 PHE H H -7.166 1.171 4.684 1.00 . A A . 7 PHE H 1 1 6 3046 1 1 7 PHE HA H -5.488 -0.870 5.891 1.00 . A A . 7 PHE HA 1 1 6 3047 1 1 7 PHE HB2 H -5.548 0.141 3.029 1.00 . A A . 7 PHE HB2 1 1 6 3048 1 1 7 PHE HB3 H -4.929 -1.415 3.607 1.00 . A A . 7 PHE HB3 1 1 6 3049 1 1 7 PHE HD1 H -6.578 -3.057 4.680 1.00 . A A . 7 PHE HD1 1 1 6 3050 1 1 7 PHE HD2 H -7.821 0.414 2.461 1.00 . A A . 7 PHE HD2 1 1 6 3051 1 1 7 PHE HE1 H -8.836 -4.047 4.398 1.00 . A A . 7 PHE HE1 1 1 6 3052 1 1 7 PHE HE2 H -10.080 -0.577 2.185 1.00 . A A . 7 PHE HE2 1 1 6 3053 1 1 7 PHE HZ H -10.588 -2.810 3.144 1.00 . A A . 7 PHE HZ 1 1 6 3054 1 1 7 PHE N N -6.607 0.831 5.457 1.00 . A A . 7 PHE N 1 1 6 3055 1 1 7 PHE O O -3.923 1.604 4.459 1.00 . A A . 7 PHE O 1 1 6 3056 1 1 8 LEU C C -0.980 0.184 5.610 1.00 . A A . 8 LEU C 1 1 6 3057 1 1 8 LEU CA C -2.028 0.947 6.418 1.00 . A A . 8 LEU CA 1 1 6 3058 1 1 8 LEU CB C -1.666 0.935 7.911 1.00 . A A . 8 LEU CB 1 1 6 3059 1 1 8 LEU CD1 C -2.371 1.582 10.223 1.00 . A A . 8 LEU CD1 1 1 6 3060 1 1 8 LEU CD2 C -3.051 3.004 8.287 1.00 . A A . 8 LEU CD2 1 1 6 3061 1 1 8 LEU CG C -2.788 1.569 8.752 1.00 . A A . 8 LEU CG 1 1 6 3062 1 1 8 LEU H H -3.596 -0.422 6.847 1.00 . A A . 8 LEU H 1 1 6 3063 1 1 8 LEU HA H -2.065 1.979 6.069 1.00 . A A . 8 LEU HA 1 1 6 3064 1 1 8 LEU HB2 H -1.516 -0.095 8.236 1.00 . A A . 8 LEU HB2 1 1 6 3065 1 1 8 LEU HB3 H -0.742 1.496 8.061 1.00 . A A . 8 LEU HB3 1 1 6 3066 1 1 8 LEU HD11 H -2.165 0.563 10.552 1.00 . A A . 8 LEU HD11 1 1 6 3067 1 1 8 LEU HD12 H -1.473 2.189 10.343 1.00 . A A . 8 LEU HD12 1 1 6 3068 1 1 8 LEU HD13 H -3.175 2.002 10.827 1.00 . A A . 8 LEU HD13 1 1 6 3069 1 1 8 LEU HD21 H -2.105 3.541 8.206 1.00 . A A . 8 LEU HD21 1 1 6 3070 1 1 8 LEU HD22 H -3.544 2.989 7.317 1.00 . A A . 8 LEU HD22 1 1 6 3071 1 1 8 LEU HD23 H -3.693 3.508 9.009 1.00 . A A . 8 LEU HD23 1 1 6 3072 1 1 8 LEU HG H -3.700 0.983 8.645 1.00 . A A . 8 LEU HG 1 1 6 3073 1 1 8 LEU N N -3.330 0.324 6.224 1.00 . A A . 8 LEU N 1 1 6 3074 1 1 8 LEU O O -0.827 -1.025 5.771 1.00 . A A . 8 LEU O 1 1 6 3075 1 1 9 CYS C C 1.963 -0.133 4.735 1.00 . A A . 9 CYS C 1 1 6 3076 1 1 9 CYS CA C 0.763 0.280 3.896 1.00 . A A . 9 CYS CA 1 1 6 3077 1 1 9 CYS CB C 1.199 1.270 2.819 1.00 . A A . 9 CYS CB 1 1 6 3078 1 1 9 CYS H H -0.421 1.887 4.642 1.00 . A A . 9 CYS H 1 1 6 3079 1 1 9 CYS HA H 0.346 -0.605 3.415 1.00 . A A . 9 CYS HA 1 1 6 3080 1 1 9 CYS HB2 H 0.381 1.435 2.119 1.00 . A A . 9 CYS HB2 1 1 6 3081 1 1 9 CYS HB3 H 1.485 2.214 3.279 1.00 . A A . 9 CYS HB3 1 1 6 3082 1 1 9 CYS N N -0.258 0.893 4.735 1.00 . A A . 9 CYS N 1 1 6 3083 1 1 9 CYS O O 2.636 0.714 5.312 1.00 . A A . 9 CYS O 1 1 6 3084 1 1 9 CYS SG S 2.620 0.572 1.940 1.00 . A A . 9 CYS SG 1 1 6 3085 1 1 10 THR C C 4.647 -1.750 4.670 1.00 . A A . 10 THR C 1 1 6 3086 1 1 10 THR CA C 3.386 -1.945 5.518 1.00 . A A . 10 THR CA 1 1 6 3087 1 1 10 THR CB C 3.156 -3.427 5.850 1.00 . A A . 10 THR CB 1 1 6 3088 1 1 10 THR CG2 C 4.167 -3.887 6.902 1.00 . A A . 10 THR CG2 1 1 6 3089 1 1 10 THR H H 1.647 -2.097 4.308 1.00 . A A . 10 THR H 1 1 6 3090 1 1 10 THR HA H 3.493 -1.387 6.450 1.00 . A A . 10 THR HA 1 1 6 3091 1 1 10 THR HB H 3.274 -4.026 4.948 1.00 . A A . 10 THR HB 1 1 6 3092 1 1 10 THR HG1 H 1.730 -3.020 7.108 1.00 . A A . 10 THR HG1 1 1 6 3093 1 1 10 THR HG21 H 4.056 -3.285 7.803 1.00 . A A . 10 THR HG21 1 1 6 3094 1 1 10 THR HG22 H 3.988 -4.935 7.142 1.00 . A A . 10 THR HG22 1 1 6 3095 1 1 10 THR HG23 H 5.179 -3.773 6.512 1.00 . A A . 10 THR HG23 1 1 6 3096 1 1 10 THR N N 2.240 -1.435 4.789 1.00 . A A . 10 THR N 1 1 6 3097 1 1 10 THR O O 5.082 -2.672 3.978 1.00 . A A . 10 THR O 1 1 6 3098 1 1 10 THR OG1 O 1.848 -3.598 6.351 1.00 . A A . 10 THR OG1 1 1 6 3099 1 1 11 ALA C C 7.305 0.705 4.849 1.00 . A A . 11 ALA C 1 1 6 3100 1 1 11 ALA CA C 6.442 -0.221 3.989 1.00 . A A . 11 ALA CA 1 1 6 3101 1 1 11 ALA CB C 6.070 0.448 2.665 1.00 . A A . 11 ALA CB 1 1 6 3102 1 1 11 ALA H H 4.821 0.187 5.300 1.00 . A A . 11 ALA H 1 1 6 3103 1 1 11 ALA HA H 6.990 -1.140 3.785 1.00 . A A . 11 ALA HA 1 1 6 3104 1 1 11 ALA HB1 H 5.457 1.325 2.861 1.00 . A A . 11 ALA HB1 1 1 6 3105 1 1 11 ALA HB2 H 6.976 0.750 2.140 1.00 . A A . 11 ALA HB2 1 1 6 3106 1 1 11 ALA HB3 H 5.513 -0.256 2.047 1.00 . A A . 11 ALA HB3 1 1 6 3107 1 1 11 ALA N N 5.229 -0.541 4.724 1.00 . A A . 11 ALA N 1 1 6 3108 1 1 11 ALA O O 6.766 1.479 5.640 1.00 . A A . 11 ALA O 1 1 6 3109 1 1 12 PRO C C 9.360 2.922 5.197 1.00 . A A . 12 PRO C 1 1 6 3110 1 1 12 PRO CA C 9.558 1.437 5.490 1.00 . A A . 12 PRO CA 1 1 6 3111 1 1 12 PRO CB C 10.961 0.973 5.085 1.00 . A A . 12 PRO CB 1 1 6 3112 1 1 12 PRO CD C 9.306 -0.257 3.773 1.00 . A A . 12 PRO CD 1 1 6 3113 1 1 12 PRO CG C 10.785 0.114 3.833 1.00 . A A . 12 PRO CG 1 1 6 3114 1 1 12 PRO HA H 9.401 1.247 6.553 1.00 . A A . 12 PRO HA 1 1 6 3115 1 1 12 PRO HB2 H 11.599 1.831 4.868 1.00 . A A . 12 PRO HB2 1 1 6 3116 1 1 12 PRO HB3 H 11.398 0.376 5.886 1.00 . A A . 12 PRO HB3 1 1 6 3117 1 1 12 PRO HD2 H 8.922 -0.108 2.764 1.00 . A A . 12 PRO HD2 1 1 6 3118 1 1 12 PRO HD3 H 9.170 -1.296 4.079 1.00 . A A . 12 PRO HD3 1 1 6 3119 1 1 12 PRO HG2 H 11.055 0.692 2.949 1.00 . A A . 12 PRO HG2 1 1 6 3120 1 1 12 PRO HG3 H 11.400 -0.784 3.898 1.00 . A A . 12 PRO HG3 1 1 6 3121 1 1 12 PRO N N 8.642 0.630 4.708 1.00 . A A . 12 PRO N 1 1 6 3122 1 1 12 PRO O O 9.703 3.393 4.112 1.00 . A A . 12 PRO O 1 1 6 3123 1 1 13 GLY C C 7.394 5.423 5.163 1.00 . A A . 13 GLY C 1 1 6 3124 1 1 13 GLY CA C 8.606 5.095 6.038 1.00 . A A . 13 GLY CA 1 1 6 3125 1 1 13 GLY H H 8.526 3.215 7.030 1.00 . A A . 13 GLY H 1 1 6 3126 1 1 13 GLY HA2 H 8.453 5.522 7.030 1.00 . A A . 13 GLY HA2 1 1 6 3127 1 1 13 GLY HA3 H 9.497 5.543 5.595 1.00 . A A . 13 GLY HA3 1 1 6 3128 1 1 13 GLY N N 8.808 3.659 6.168 1.00 . A A . 13 GLY N 1 1 6 3129 1 1 13 GLY O O 6.635 6.336 5.481 1.00 . A A . 13 GLY O 1 1 6 3130 1 1 14 CYS C C 4.838 4.312 3.611 1.00 . A A . 14 CYS C 1 1 6 3131 1 1 14 CYS CA C 6.119 4.960 3.123 1.00 . A A . 14 CYS CA 1 1 6 3132 1 1 14 CYS CB C 6.491 4.427 1.748 1.00 . A A . 14 CYS CB 1 1 6 3133 1 1 14 CYS H H 7.853 3.935 3.839 1.00 . A A . 14 CYS H 1 1 6 3134 1 1 14 CYS HA H 5.968 6.038 3.054 1.00 . A A . 14 CYS HA 1 1 6 3135 1 1 14 CYS HB2 H 7.532 4.630 1.561 1.00 . A A . 14 CYS HB2 1 1 6 3136 1 1 14 CYS HB3 H 6.316 3.352 1.707 1.00 . A A . 14 CYS HB3 1 1 6 3137 1 1 14 CYS N N 7.213 4.693 4.052 1.00 . A A . 14 CYS N 1 1 6 3138 1 1 14 CYS O O 4.203 3.550 2.880 1.00 . A A . 14 CYS O 1 1 6 3139 1 1 14 CYS SG S 5.473 5.264 0.507 1.00 . A A . 14 CYS SG 1 1 6 3140 1 1 15 GLY C C 2.034 4.826 5.082 1.00 . A A . 15 GLY C 1 1 6 3141 1 1 15 GLY CA C 3.280 4.019 5.430 1.00 . A A . 15 GLY CA 1 1 6 3142 1 1 15 GLY H H 4.999 5.256 5.403 1.00 . A A . 15 GLY H 1 1 6 3143 1 1 15 GLY HA2 H 3.172 3.010 5.046 1.00 . A A . 15 GLY HA2 1 1 6 3144 1 1 15 GLY HA3 H 3.400 3.982 6.510 1.00 . A A . 15 GLY HA3 1 1 6 3145 1 1 15 GLY N N 4.455 4.608 4.847 1.00 . A A . 15 GLY N 1 1 6 3146 1 1 15 GLY O O 1.384 5.374 5.969 1.00 . A A . 15 GLY O 1 1 6 3147 1 1 16 GLN C C -0.735 4.791 3.674 1.00 . A A . 16 GLN C 1 1 6 3148 1 1 16 GLN CA C 0.511 5.613 3.342 1.00 . A A . 16 GLN CA 1 1 6 3149 1 1 16 GLN CB C 0.603 5.885 1.839 1.00 . A A . 16 GLN CB 1 1 6 3150 1 1 16 GLN CD C 1.779 7.280 0.094 1.00 . A A . 16 GLN CD 1 1 6 3151 1 1 16 GLN CG C 1.754 6.858 1.560 1.00 . A A . 16 GLN CG 1 1 6 3152 1 1 16 GLN H H 2.267 4.434 3.091 1.00 . A A . 16 GLN H 1 1 6 3153 1 1 16 GLN HA H 0.455 6.566 3.871 1.00 . A A . 16 GLN HA 1 1 6 3154 1 1 16 GLN HB2 H 0.780 4.949 1.311 1.00 . A A . 16 GLN HB2 1 1 6 3155 1 1 16 GLN HB3 H -0.334 6.324 1.494 1.00 . A A . 16 GLN HB3 1 1 6 3156 1 1 16 GLN HE21 H 3.418 8.445 0.413 1.00 . A A . 16 GLN HE21 1 1 6 3157 1 1 16 GLN HE22 H 2.819 8.421 -1.231 1.00 . A A . 16 GLN HE22 1 1 6 3158 1 1 16 GLN HG2 H 1.631 7.745 2.182 1.00 . A A . 16 GLN HG2 1 1 6 3159 1 1 16 GLN HG3 H 2.700 6.377 1.809 1.00 . A A . 16 GLN HG3 1 1 6 3160 1 1 16 GLN N N 1.696 4.895 3.787 1.00 . A A . 16 GLN N 1 1 6 3161 1 1 16 GLN NE2 N 2.752 8.117 -0.270 1.00 . A A . 16 GLN NE2 1 1 6 3162 1 1 16 GLN O O -0.635 3.594 3.947 1.00 . A A . 16 GLN O 1 1 6 3163 1 1 16 GLN OE1 O 0.939 6.859 -0.695 1.00 . A A . 16 GLN OE1 1 1 6 3164 1 1 17 ARG C C -4.162 5.058 2.856 1.00 . A A . 17 ARG C 1 1 6 3165 1 1 17 ARG CA C -3.167 4.799 3.977 1.00 . A A . 17 ARG CA 1 1 6 3166 1 1 17 ARG CB C -3.678 5.360 5.311 1.00 . A A . 17 ARG CB 1 1 6 3167 1 1 17 ARG CD C -6.139 5.848 5.237 1.00 . A A . 17 ARG CD 1 1 6 3168 1 1 17 ARG CG C -5.079 4.816 5.640 1.00 . A A . 17 ARG CG 1 1 6 3169 1 1 17 ARG CZ C -8.518 5.630 4.575 1.00 . A A . 17 ARG CZ 1 1 6 3170 1 1 17 ARG H H -1.917 6.421 3.404 1.00 . A A . 17 ARG H 1 1 6 3171 1 1 17 ARG HA H -3.013 3.728 4.077 1.00 . A A . 17 ARG HA 1 1 6 3172 1 1 17 ARG HB2 H -2.988 5.074 6.105 1.00 . A A . 17 ARG HB2 1 1 6 3173 1 1 17 ARG HB3 H -3.720 6.444 5.248 1.00 . A A . 17 ARG HB3 1 1 6 3174 1 1 17 ARG HD2 H -6.046 6.725 5.879 1.00 . A A . 17 ARG HD2 1 1 6 3175 1 1 17 ARG HD3 H -5.974 6.145 4.205 1.00 . A A . 17 ARG HD3 1 1 6 3176 1 1 17 ARG HE H -7.642 4.622 6.113 1.00 . A A . 17 ARG HE 1 1 6 3177 1 1 17 ARG HG2 H -5.251 3.880 5.105 1.00 . A A . 17 ARG HG2 1 1 6 3178 1 1 17 ARG HG3 H -5.150 4.633 6.712 1.00 . A A . 17 ARG HG3 1 1 6 3179 1 1 17 ARG HH11 H -7.514 7.104 3.581 1.00 . A A . 17 ARG HH11 1 1 6 3180 1 1 17 ARG HH12 H -9.108 6.733 2.961 1.00 . A A . 17 ARG HH12 1 1 6 3181 1 1 17 ARG HH21 H -9.838 4.346 5.456 1.00 . A A . 17 ARG HH21 1 1 6 3182 1 1 17 ARG HH22 H -10.464 5.252 4.094 1.00 . A A . 17 ARG HH22 1 1 6 3183 1 1 17 ARG N N -1.901 5.443 3.653 1.00 . A A . 17 ARG N 1 1 6 3184 1 1 17 ARG NE N -7.490 5.291 5.376 1.00 . A A . 17 ARG NE 1 1 6 3185 1 1 17 ARG NH1 N -8.365 6.566 3.630 1.00 . A A . 17 ARG NH1 1 1 6 3186 1 1 17 ARG NH2 N -9.702 5.027 4.722 1.00 . A A . 17 ARG NH2 1 1 6 3187 1 1 17 ARG O O -4.128 6.115 2.225 1.00 . A A . 17 ARG O 1 1 6 3188 1 1 18 PHE C C -7.376 3.619 2.056 1.00 . A A . 18 PHE C 1 1 6 3189 1 1 18 PHE CA C -6.054 4.199 1.565 1.00 . A A . 18 PHE CA 1 1 6 3190 1 1 18 PHE CB C -5.574 3.451 0.316 1.00 . A A . 18 PHE CB 1 1 6 3191 1 1 18 PHE CD1 C -3.073 3.197 0.577 1.00 . A A . 18 PHE CD1 1 1 6 3192 1 1 18 PHE CD2 C -3.915 4.719 -1.124 1.00 . A A . 18 PHE CD2 1 1 6 3193 1 1 18 PHE CE1 C -1.756 3.515 0.213 1.00 . A A . 18 PHE CE1 1 1 6 3194 1 1 18 PHE CE2 C -2.595 5.036 -1.489 1.00 . A A . 18 PHE CE2 1 1 6 3195 1 1 18 PHE CG C -4.155 3.796 -0.090 1.00 . A A . 18 PHE CG 1 1 6 3196 1 1 18 PHE CZ C -1.516 4.434 -0.819 1.00 . A A . 18 PHE CZ 1 1 6 3197 1 1 18 PHE H H -5.028 3.241 3.166 1.00 . A A . 18 PHE H 1 1 6 3198 1 1 18 PHE HA H -6.200 5.252 1.315 1.00 . A A . 18 PHE HA 1 1 6 3199 1 1 18 PHE HB2 H -5.627 2.379 0.509 1.00 . A A . 18 PHE HB2 1 1 6 3200 1 1 18 PHE HB3 H -6.242 3.688 -0.512 1.00 . A A . 18 PHE HB3 1 1 6 3201 1 1 18 PHE HD1 H -3.257 2.496 1.375 1.00 . A A . 18 PHE HD1 1 1 6 3202 1 1 18 PHE HD2 H -4.743 5.184 -1.637 1.00 . A A . 18 PHE HD2 1 1 6 3203 1 1 18 PHE HE1 H -0.928 3.056 0.730 1.00 . A A . 18 PHE HE1 1 1 6 3204 1 1 18 PHE HE2 H -2.409 5.745 -2.283 1.00 . A A . 18 PHE HE2 1 1 6 3205 1 1 18 PHE HZ H -0.503 4.680 -1.095 1.00 . A A . 18 PHE HZ 1 1 6 3206 1 1 18 PHE N N -5.050 4.088 2.610 1.00 . A A . 18 PHE N 1 1 6 3207 1 1 18 PHE O O -7.398 2.820 2.991 1.00 . A A . 18 PHE O 1 1 6 3208 1 1 19 THR C C -10.067 2.221 0.974 1.00 . A A . 19 THR C 1 1 6 3209 1 1 19 THR CA C -9.805 3.521 1.742 1.00 . A A . 19 THR CA 1 1 6 3210 1 1 19 THR CB C -10.852 4.592 1.390 1.00 . A A . 19 THR CB 1 1 6 3211 1 1 19 THR CG2 C -12.231 4.175 1.905 1.00 . A A . 19 THR CG2 1 1 6 3212 1 1 19 THR H H -8.397 4.695 0.662 1.00 . A A . 19 THR H 1 1 6 3213 1 1 19 THR HA H -9.855 3.314 2.811 1.00 . A A . 19 THR HA 1 1 6 3214 1 1 19 THR HB H -10.893 4.717 0.306 1.00 . A A . 19 THR HB 1 1 6 3215 1 1 19 THR HG1 H -11.101 6.499 1.684 1.00 . A A . 19 THR HG1 1 1 6 3216 1 1 19 THR HG21 H -12.153 3.855 2.945 1.00 . A A . 19 THR HG21 1 1 6 3217 1 1 19 THR HG22 H -12.916 5.020 1.837 1.00 . A A . 19 THR HG22 1 1 6 3218 1 1 19 THR HG23 H -12.616 3.354 1.301 1.00 . A A . 19 THR HG23 1 1 6 3219 1 1 19 THR N N -8.478 4.024 1.412 1.00 . A A . 19 THR N 1 1 6 3220 1 1 19 THR O O -11.012 1.501 1.280 1.00 . A A . 19 THR O 1 1 6 3221 1 1 19 THR OG1 O -10.489 5.821 1.987 1.00 . A A . 19 THR OG1 1 1 6 3222 1 1 20 ASN C C -8.038 -0.045 -0.807 1.00 . A A . 20 ASN C 1 1 6 3223 1 1 20 ASN CA C -9.342 0.735 -0.843 1.00 . A A . 20 ASN CA 1 1 6 3224 1 1 20 ASN CB C -9.667 1.138 -2.284 1.00 . A A . 20 ASN CB 1 1 6 3225 1 1 20 ASN CG C -11.171 1.173 -2.515 1.00 . A A . 20 ASN CG 1 1 6 3226 1 1 20 ASN H H -8.458 2.561 -0.231 1.00 . A A . 20 ASN H 1 1 6 3227 1 1 20 ASN HA H -10.145 0.106 -0.455 1.00 . A A . 20 ASN HA 1 1 6 3228 1 1 20 ASN HB2 H -9.247 2.122 -2.486 1.00 . A A . 20 ASN HB2 1 1 6 3229 1 1 20 ASN HB3 H -9.220 0.416 -2.967 1.00 . A A . 20 ASN HB3 1 1 6 3230 1 1 20 ASN HD21 H -11.109 -0.658 -3.420 1.00 . A A . 20 ASN HD21 1 1 6 3231 1 1 20 ASN HD22 H -12.700 0.080 -3.294 1.00 . A A . 20 ASN HD22 1 1 6 3232 1 1 20 ASN N N -9.218 1.931 -0.027 1.00 . A A . 20 ASN N 1 1 6 3233 1 1 20 ASN ND2 N -11.706 0.114 -3.125 1.00 . A A . 20 ASN ND2 1 1 6 3234 1 1 20 ASN O O -6.964 0.528 -1.006 1.00 . A A . 20 ASN O 1 1 6 3235 1 1 20 ASN OD1 O -11.836 2.139 -2.150 1.00 . A A . 20 ASN OD1 1 1 6 3236 1 1 21 GLU C C -6.362 -2.266 -1.972 1.00 . A A . 21 GLU C 1 1 6 3237 1 1 21 GLU CA C -6.964 -2.221 -0.565 1.00 . A A . 21 GLU CA 1 1 6 3238 1 1 21 GLU CB C -7.357 -3.622 -0.078 1.00 . A A . 21 GLU CB 1 1 6 3239 1 1 21 GLU CD C -8.848 -5.604 -0.489 1.00 . A A . 21 GLU CD 1 1 6 3240 1 1 21 GLU CG C -8.382 -4.257 -1.028 1.00 . A A . 21 GLU CG 1 1 6 3241 1 1 21 GLU H H -9.036 -1.772 -0.395 1.00 . A A . 21 GLU H 1 1 6 3242 1 1 21 GLU HA H -6.225 -1.807 0.119 1.00 . A A . 21 GLU HA 1 1 6 3243 1 1 21 GLU HB2 H -6.468 -4.252 -0.037 1.00 . A A . 21 GLU HB2 1 1 6 3244 1 1 21 GLU HB3 H -7.791 -3.548 0.920 1.00 . A A . 21 GLU HB3 1 1 6 3245 1 1 21 GLU HG2 H -9.242 -3.598 -1.130 1.00 . A A . 21 GLU HG2 1 1 6 3246 1 1 21 GLU HG3 H -7.925 -4.406 -2.007 1.00 . A A . 21 GLU HG3 1 1 6 3247 1 1 21 GLU N N -8.132 -1.357 -0.569 1.00 . A A . 21 GLU N 1 1 6 3248 1 1 21 GLU O O -5.184 -2.569 -2.134 1.00 . A A . 21 GLU O 1 1 6 3249 1 1 21 GLU OE1 O -8.133 -6.596 -0.745 1.00 . A A . 21 GLU OE1 1 1 6 3250 1 1 21 GLU OE2 O -9.912 -5.614 0.169 1.00 . A A . 21 GLU OE2 1 1 6 3251 1 1 22 ASP C C -5.570 -0.948 -4.515 1.00 . A A . 22 ASP C 1 1 6 3252 1 1 22 ASP CA C -6.744 -1.912 -4.368 1.00 . A A . 22 ASP CA 1 1 6 3253 1 1 22 ASP CB C -7.914 -1.452 -5.243 1.00 . A A . 22 ASP CB 1 1 6 3254 1 1 22 ASP CG C -9.181 -2.243 -4.939 1.00 . A A . 22 ASP CG 1 1 6 3255 1 1 22 ASP H H -8.148 -1.722 -2.789 1.00 . A A . 22 ASP H 1 1 6 3256 1 1 22 ASP HA H -6.434 -2.912 -4.677 1.00 . A A . 22 ASP HA 1 1 6 3257 1 1 22 ASP HB2 H -8.103 -0.396 -5.054 1.00 . A A . 22 ASP HB2 1 1 6 3258 1 1 22 ASP HB3 H -7.649 -1.585 -6.292 1.00 . A A . 22 ASP HB3 1 1 6 3259 1 1 22 ASP N N -7.181 -1.950 -2.984 1.00 . A A . 22 ASP N 1 1 6 3260 1 1 22 ASP O O -4.542 -1.289 -5.098 1.00 . A A . 22 ASP O 1 1 6 3261 1 1 22 ASP OD1 O -9.881 -1.844 -3.977 1.00 . A A . 22 ASP OD1 1 1 6 3262 1 1 22 ASP OD2 O -9.427 -3.226 -5.669 1.00 . A A . 22 ASP OD2 1 1 6 3263 1 1 23 HIS C C -3.500 0.871 -3.207 1.00 . A A . 23 HIS C 1 1 6 3264 1 1 23 HIS CA C -4.699 1.287 -4.054 1.00 . A A . 23 HIS CA 1 1 6 3265 1 1 23 HIS CB C -5.267 2.623 -3.571 1.00 . A A . 23 HIS CB 1 1 6 3266 1 1 23 HIS CD2 C -6.978 2.730 -5.575 1.00 . A A . 23 HIS CD2 1 1 6 3267 1 1 23 HIS CE1 C -8.418 4.048 -4.719 1.00 . A A . 23 HIS CE1 1 1 6 3268 1 1 23 HIS CG C -6.505 3.039 -4.323 1.00 . A A . 23 HIS CG 1 1 6 3269 1 1 23 HIS H H -6.595 0.494 -3.507 1.00 . A A . 23 HIS H 1 1 6 3270 1 1 23 HIS HA H -4.380 1.387 -5.090 1.00 . A A . 23 HIS HA 1 1 6 3271 1 1 23 HIS HB2 H -5.511 2.539 -2.512 1.00 . A A . 23 HIS HB2 1 1 6 3272 1 1 23 HIS HB3 H -4.505 3.394 -3.695 1.00 . A A . 23 HIS HB3 1 1 6 3273 1 1 23 HIS HD1 H -7.434 4.325 -2.871 1.00 . A A . 23 HIS HD1 1 1 6 3274 1 1 23 HIS HD2 H -6.473 2.076 -6.270 1.00 . A A . 23 HIS HD2 1 1 6 3275 1 1 23 HIS HE1 H -9.292 4.666 -4.574 1.00 . A A . 23 HIS HE1 1 1 6 3276 1 1 23 HIS N N -5.731 0.268 -3.980 1.00 . A A . 23 HIS N 1 1 6 3277 1 1 23 HIS ND1 N -7.457 3.897 -3.784 1.00 . A A . 23 HIS ND1 1 1 6 3278 1 1 23 HIS NE2 N -8.185 3.360 -5.838 1.00 . A A . 23 HIS NE2 1 1 6 3279 1 1 23 HIS O O -2.356 1.127 -3.575 1.00 . A A . 23 HIS O 1 1 6 3280 1 1 24 LEU C C -1.863 -1.295 -1.931 1.00 . A A . 24 LEU C 1 1 6 3281 1 1 24 LEU CA C -2.708 -0.251 -1.198 1.00 . A A . 24 LEU CA 1 1 6 3282 1 1 24 LEU CB C -3.328 -0.856 0.062 1.00 . A A . 24 LEU CB 1 1 6 3283 1 1 24 LEU CD1 C -2.330 0.023 2.189 1.00 . A A . 24 LEU CD1 1 1 6 3284 1 1 24 LEU CD2 C -2.473 -2.435 1.806 1.00 . A A . 24 LEU CD2 1 1 6 3285 1 1 24 LEU CG C -2.248 -1.080 1.136 1.00 . A A . 24 LEU CG 1 1 6 3286 1 1 24 LEU H H -4.729 0.043 -1.811 1.00 . A A . 24 LEU H 1 1 6 3287 1 1 24 LEU HA H -2.075 0.590 -0.916 1.00 . A A . 24 LEU HA 1 1 6 3288 1 1 24 LEU HB2 H -4.094 -0.182 0.447 1.00 . A A . 24 LEU HB2 1 1 6 3289 1 1 24 LEU HB3 H -3.788 -1.813 -0.189 1.00 . A A . 24 LEU HB3 1 1 6 3290 1 1 24 LEU HD11 H -3.371 0.258 2.395 1.00 . A A . 24 LEU HD11 1 1 6 3291 1 1 24 LEU HD12 H -1.852 -0.314 3.102 1.00 . A A . 24 LEU HD12 1 1 6 3292 1 1 24 LEU HD13 H -1.823 0.912 1.822 1.00 . A A . 24 LEU HD13 1 1 6 3293 1 1 24 LEU HD21 H -3.472 -2.464 2.241 1.00 . A A . 24 LEU HD21 1 1 6 3294 1 1 24 LEU HD22 H -2.375 -3.229 1.066 1.00 . A A . 24 LEU HD22 1 1 6 3295 1 1 24 LEU HD23 H -1.731 -2.580 2.592 1.00 . A A . 24 LEU HD23 1 1 6 3296 1 1 24 LEU HG H -1.256 -1.064 0.677 1.00 . A A . 24 LEU HG 1 1 6 3297 1 1 24 LEU N N -3.766 0.221 -2.073 1.00 . A A . 24 LEU N 1 1 6 3298 1 1 24 LEU O O -0.653 -1.338 -1.762 1.00 . A A . 24 LEU O 1 1 6 3299 1 1 25 ALA C C -0.833 -2.634 -4.461 1.00 . A A . 25 ALA C 1 1 6 3300 1 1 25 ALA CA C -1.846 -3.200 -3.469 1.00 . A A . 25 ALA CA 1 1 6 3301 1 1 25 ALA CB C -2.894 -4.039 -4.199 1.00 . A A . 25 ALA CB 1 1 6 3302 1 1 25 ALA H H -3.518 -2.045 -2.846 1.00 . A A . 25 ALA H 1 1 6 3303 1 1 25 ALA HA H -1.315 -3.838 -2.754 1.00 . A A . 25 ALA HA 1 1 6 3304 1 1 25 ALA HB1 H -3.610 -4.433 -3.478 1.00 . A A . 25 ALA HB1 1 1 6 3305 1 1 25 ALA HB2 H -3.417 -3.417 -4.925 1.00 . A A . 25 ALA HB2 1 1 6 3306 1 1 25 ALA HB3 H -2.406 -4.865 -4.714 1.00 . A A . 25 ALA HB3 1 1 6 3307 1 1 25 ALA N N -2.515 -2.137 -2.739 1.00 . A A . 25 ALA N 1 1 6 3308 1 1 25 ALA O O 0.329 -3.005 -4.414 1.00 . A A . 25 ALA O 1 1 6 3309 1 1 26 VAL C C 0.749 -0.370 -5.686 1.00 . A A . 26 VAL C 1 1 6 3310 1 1 26 VAL CA C -0.368 -1.168 -6.368 1.00 . A A . 26 VAL CA 1 1 6 3311 1 1 26 VAL CB C -1.156 -0.283 -7.356 1.00 . A A . 26 VAL CB 1 1 6 3312 1 1 26 VAL CG1 C -2.174 -1.141 -8.113 1.00 . A A . 26 VAL CG1 1 1 6 3313 1 1 26 VAL CG2 C -1.892 0.844 -6.618 1.00 . A A . 26 VAL CG2 1 1 6 3314 1 1 26 VAL H H -2.239 -1.459 -5.363 1.00 . A A . 26 VAL H 1 1 6 3315 1 1 26 VAL HA H 0.087 -1.984 -6.930 1.00 . A A . 26 VAL HA 1 1 6 3316 1 1 26 VAL HB H -0.460 0.157 -8.072 1.00 . A A . 26 VAL HB 1 1 6 3317 1 1 26 VAL HG11 H -1.658 -1.967 -8.606 1.00 . A A . 26 VAL HG11 1 1 6 3318 1 1 26 VAL HG12 H -2.911 -1.538 -7.416 1.00 . A A . 26 VAL HG12 1 1 6 3319 1 1 26 VAL HG13 H -2.677 -0.531 -8.864 1.00 . A A . 26 VAL HG13 1 1 6 3320 1 1 26 VAL HG21 H -2.552 0.416 -5.870 1.00 . A A . 26 VAL HG21 1 1 6 3321 1 1 26 VAL HG22 H -1.172 1.504 -6.134 1.00 . A A . 26 VAL HG22 1 1 6 3322 1 1 26 VAL HG23 H -2.482 1.419 -7.331 1.00 . A A . 26 VAL HG23 1 1 6 3323 1 1 26 VAL N N -1.268 -1.743 -5.364 1.00 . A A . 26 VAL N 1 1 6 3324 1 1 26 VAL O O 1.908 -0.427 -6.107 1.00 . A A . 26 VAL O 1 1 6 3325 1 1 27 HIS C C 2.408 0.291 -3.265 1.00 . A A . 27 HIS C 1 1 6 3326 1 1 27 HIS CA C 1.341 1.179 -3.897 1.00 . A A . 27 HIS CA 1 1 6 3327 1 1 27 HIS CB C 0.561 1.931 -2.822 1.00 . A A . 27 HIS CB 1 1 6 3328 1 1 27 HIS CD2 C 1.768 2.777 -0.678 1.00 . A A . 27 HIS CD2 1 1 6 3329 1 1 27 HIS CE1 C 2.710 4.517 -1.463 1.00 . A A . 27 HIS CE1 1 1 6 3330 1 1 27 HIS CG C 1.419 2.826 -1.991 1.00 . A A . 27 HIS CG 1 1 6 3331 1 1 27 HIS H H -0.570 0.374 -4.327 1.00 . A A . 27 HIS H 1 1 6 3332 1 1 27 HIS HA H 1.813 1.895 -4.572 1.00 . A A . 27 HIS HA 1 1 6 3333 1 1 27 HIS HB2 H -0.212 2.532 -3.300 1.00 . A A . 27 HIS HB2 1 1 6 3334 1 1 27 HIS HB3 H 0.084 1.198 -2.161 1.00 . A A . 27 HIS HB3 1 1 6 3335 1 1 27 HIS HD1 H 1.995 4.308 -3.438 1.00 . A A . 27 HIS HD1 1 1 6 3336 1 1 27 HIS HD2 H 1.442 2.002 -0.004 1.00 . A A . 27 HIS HD2 1 1 6 3337 1 1 27 HIS HE1 H 3.291 5.421 -1.555 1.00 . A A . 27 HIS HE1 1 1 6 3338 1 1 27 HIS N N 0.397 0.369 -4.634 1.00 . A A . 27 HIS N 1 1 6 3339 1 1 27 HIS ND1 N 2.039 3.963 -2.490 1.00 . A A . 27 HIS ND1 1 1 6 3340 1 1 27 HIS NE2 N 2.582 3.838 -0.318 1.00 . A A . 27 HIS NE2 1 1 6 3341 1 1 27 HIS O O 3.604 0.538 -3.410 1.00 . A A . 27 HIS O 1 1 6 3342 1 1 28 LYS C C 3.645 -2.477 -2.871 1.00 . A A . 28 LYS C 1 1 6 3343 1 1 28 LYS CA C 2.819 -1.670 -1.872 1.00 . A A . 28 LYS CA 1 1 6 3344 1 1 28 LYS CB C 1.943 -2.577 -1.011 1.00 . A A . 28 LYS CB 1 1 6 3345 1 1 28 LYS CD C 2.204 -3.654 1.212 1.00 . A A . 28 LYS CD 1 1 6 3346 1 1 28 LYS CE C 2.822 -4.851 1.947 1.00 . A A . 28 LYS CE 1 1 6 3347 1 1 28 LYS CG C 2.806 -3.523 -0.187 1.00 . A A . 28 LYS CG 1 1 6 3348 1 1 28 LYS H H 0.956 -0.887 -2.493 1.00 . A A . 28 LYS H 1 1 6 3349 1 1 28 LYS HA H 3.493 -1.114 -1.226 1.00 . A A . 28 LYS HA 1 1 6 3350 1 1 28 LYS HB2 H 1.344 -1.960 -0.340 1.00 . A A . 28 LYS HB2 1 1 6 3351 1 1 28 LYS HB3 H 1.279 -3.158 -1.653 1.00 . A A . 28 LYS HB3 1 1 6 3352 1 1 28 LYS HD2 H 2.392 -2.738 1.773 1.00 . A A . 28 LYS HD2 1 1 6 3353 1 1 28 LYS HD3 H 1.125 -3.803 1.123 1.00 . A A . 28 LYS HD3 1 1 6 3354 1 1 28 LYS HE2 H 2.312 -4.982 2.902 1.00 . A A . 28 LYS HE2 1 1 6 3355 1 1 28 LYS HE3 H 2.684 -5.752 1.345 1.00 . A A . 28 LYS HE3 1 1 6 3356 1 1 28 LYS HG2 H 2.828 -4.500 -0.672 1.00 . A A . 28 LYS HG2 1 1 6 3357 1 1 28 LYS HG3 H 3.818 -3.126 -0.113 1.00 . A A . 28 LYS HG3 1 1 6 3358 1 1 28 LYS HZ1 H 4.413 -3.779 2.684 1.00 . A A . 28 LYS HZ1 1 1 6 3359 1 1 28 LYS HZ2 H 4.614 -5.415 2.763 1.00 . A A . 28 LYS HZ2 1 1 6 3360 1 1 28 LYS HZ3 H 4.768 -4.642 1.314 1.00 . A A . 28 LYS HZ3 1 1 6 3361 1 1 28 LYS N N 1.953 -0.740 -2.561 1.00 . A A . 28 LYS N 1 1 6 3362 1 1 28 LYS NZ N 4.265 -4.655 2.196 1.00 . A A . 28 LYS NZ 1 1 6 3363 1 1 28 LYS O O 4.818 -2.723 -2.637 1.00 . A A . 28 LYS O 1 1 6 3364 1 1 29 HIS C C 5.013 -3.022 -5.413 1.00 . A A . 29 HIS C 1 1 6 3365 1 1 29 HIS CA C 3.683 -3.667 -5.016 1.00 . A A . 29 HIS CA 1 1 6 3366 1 1 29 HIS CB C 2.729 -3.780 -6.215 1.00 . A A . 29 HIS CB 1 1 6 3367 1 1 29 HIS CD2 C 3.311 -3.347 -8.739 1.00 . A A . 29 HIS CD2 1 1 6 3368 1 1 29 HIS CE1 C 4.777 -4.865 -9.024 1.00 . A A . 29 HIS CE1 1 1 6 3369 1 1 29 HIS CG C 3.424 -3.990 -7.533 1.00 . A A . 29 HIS CG 1 1 6 3370 1 1 29 HIS H H 2.056 -2.642 -4.114 1.00 . A A . 29 HIS H 1 1 6 3371 1 1 29 HIS HA H 3.881 -4.668 -4.630 1.00 . A A . 29 HIS HA 1 1 6 3372 1 1 29 HIS HB2 H 2.050 -4.612 -6.042 1.00 . A A . 29 HIS HB2 1 1 6 3373 1 1 29 HIS HB3 H 2.145 -2.865 -6.281 1.00 . A A . 29 HIS HB3 1 1 6 3374 1 1 29 HIS HD1 H 4.714 -5.649 -7.057 1.00 . A A . 29 HIS HD1 1 1 6 3375 1 1 29 HIS HD2 H 2.643 -2.520 -8.923 1.00 . A A . 29 HIS HD2 1 1 6 3376 1 1 29 HIS HE1 H 5.519 -5.508 -9.471 1.00 . A A . 29 HIS HE1 1 1 6 3377 1 1 29 HIS N N 3.024 -2.883 -3.979 1.00 . A A . 29 HIS N 1 1 6 3378 1 1 29 HIS ND1 N 4.379 -4.976 -7.740 1.00 . A A . 29 HIS ND1 1 1 6 3379 1 1 29 HIS NE2 N 4.164 -3.883 -9.690 1.00 . A A . 29 HIS NE2 1 1 6 3380 1 1 29 HIS O O 6.034 -3.700 -5.484 1.00 . A A . 29 HIS O 1 1 6 3381 1 1 30 LYS C C 7.266 -1.083 -4.941 1.00 . A A . 30 LYS C 1 1 6 3382 1 1 30 LYS CA C 6.217 -0.999 -6.058 1.00 . A A . 30 LYS CA 1 1 6 3383 1 1 30 LYS CB C 5.883 0.467 -6.382 1.00 . A A . 30 LYS CB 1 1 6 3384 1 1 30 LYS CD C 4.320 0.016 -8.302 1.00 . A A . 30 LYS CD 1 1 6 3385 1 1 30 LYS CE C 4.197 -0.009 -9.830 1.00 . A A . 30 LYS CE 1 1 6 3386 1 1 30 LYS CG C 5.661 0.638 -7.892 1.00 . A A . 30 LYS CG 1 1 6 3387 1 1 30 LYS H H 4.136 -1.191 -5.593 1.00 . A A . 30 LYS H 1 1 6 3388 1 1 30 LYS HA H 6.630 -1.476 -6.952 1.00 . A A . 30 LYS HA 1 1 6 3389 1 1 30 LYS HB2 H 4.982 0.766 -5.844 1.00 . A A . 30 LYS HB2 1 1 6 3390 1 1 30 LYS HB3 H 6.714 1.102 -6.071 1.00 . A A . 30 LYS HB3 1 1 6 3391 1 1 30 LYS HD2 H 4.256 -0.999 -7.919 1.00 . A A . 30 LYS HD2 1 1 6 3392 1 1 30 LYS HD3 H 3.507 0.610 -7.884 1.00 . A A . 30 LYS HD3 1 1 6 3393 1 1 30 LYS HE2 H 3.156 -0.193 -10.099 1.00 . A A . 30 LYS HE2 1 1 6 3394 1 1 30 LYS HE3 H 4.503 0.958 -10.230 1.00 . A A . 30 LYS HE3 1 1 6 3395 1 1 30 LYS HG2 H 5.652 1.702 -8.135 1.00 . A A . 30 LYS HG2 1 1 6 3396 1 1 30 LYS HG3 H 6.473 0.153 -8.434 1.00 . A A . 30 LYS HG3 1 1 6 3397 1 1 30 LYS HZ1 H 6.003 -0.916 -10.162 1.00 . A A . 30 LYS HZ1 1 1 6 3398 1 1 30 LYS HZ2 H 4.738 -1.974 -10.074 1.00 . A A . 30 LYS HZ2 1 1 6 3399 1 1 30 LYS HZ3 H 4.952 -1.047 -11.424 1.00 . A A . 30 LYS HZ3 1 1 6 3400 1 1 30 LYS N N 5.002 -1.710 -5.667 1.00 . A A . 30 LYS N 1 1 6 3401 1 1 30 LYS NZ N 5.040 -1.069 -10.418 1.00 . A A . 30 LYS NZ 1 1 6 3402 1 1 30 LYS O O 8.454 -1.212 -5.226 1.00 . A A . 30 LYS O 1 1 6 3403 1 1 31 HIS C C 8.357 -2.504 -2.485 1.00 . A A . 31 HIS C 1 1 6 3404 1 1 31 HIS CA C 7.758 -1.105 -2.546 1.00 . A A . 31 HIS CA 1 1 6 3405 1 1 31 HIS CB C 7.028 -0.776 -1.244 1.00 . A A . 31 HIS CB 1 1 6 3406 1 1 31 HIS CD2 C 5.212 1.050 -0.746 1.00 . A A . 31 HIS CD2 1 1 6 3407 1 1 31 HIS CE1 C 6.115 2.706 -1.736 1.00 . A A . 31 HIS CE1 1 1 6 3408 1 1 31 HIS CG C 6.383 0.578 -1.271 1.00 . A A . 31 HIS CG 1 1 6 3409 1 1 31 HIS H H 5.848 -0.906 -3.483 1.00 . A A . 31 HIS H 1 1 6 3410 1 1 31 HIS HA H 8.564 -0.383 -2.690 1.00 . A A . 31 HIS HA 1 1 6 3411 1 1 31 HIS HB2 H 6.261 -1.528 -1.065 1.00 . A A . 31 HIS HB2 1 1 6 3412 1 1 31 HIS HB3 H 7.745 -0.806 -0.422 1.00 . A A . 31 HIS HB3 1 1 6 3413 1 1 31 HIS HD1 H 7.831 1.684 -2.415 1.00 . A A . 31 HIS HD1 1 1 6 3414 1 1 31 HIS HD2 H 4.516 0.448 -0.180 1.00 . A A . 31 HIS HD2 1 1 6 3415 1 1 31 HIS HE1 H 6.302 3.694 -2.129 1.00 . A A . 31 HIS HE1 1 1 6 3416 1 1 31 HIS N N 6.836 -1.016 -3.674 1.00 . A A . 31 HIS N 1 1 6 3417 1 1 31 HIS ND1 N 6.954 1.671 -1.913 1.00 . A A . 31 HIS ND1 1 1 6 3418 1 1 31 HIS NE2 N 5.030 2.393 -1.028 1.00 . A A . 31 HIS NE2 1 1 6 3419 1 1 31 HIS O O 9.559 -2.657 -2.285 1.00 . A A . 31 HIS O 1 1 6 3420 1 1 32 GLU C C 8.968 -5.114 -3.814 1.00 . A A . 32 GLU C 1 1 6 3421 1 1 32 GLU CA C 7.980 -4.905 -2.664 1.00 . A A . 32 GLU CA 1 1 6 3422 1 1 32 GLU CB C 6.786 -5.861 -2.801 1.00 . A A . 32 GLU CB 1 1 6 3423 1 1 32 GLU CD C 6.607 -6.043 -0.282 1.00 . A A . 32 GLU CD 1 1 6 3424 1 1 32 GLU CG C 5.862 -5.751 -1.578 1.00 . A A . 32 GLU CG 1 1 6 3425 1 1 32 GLU H H 6.532 -3.347 -2.810 1.00 . A A . 32 GLU H 1 1 6 3426 1 1 32 GLU HA H 8.492 -5.104 -1.723 1.00 . A A . 32 GLU HA 1 1 6 3427 1 1 32 GLU HB2 H 6.223 -5.608 -3.699 1.00 . A A . 32 GLU HB2 1 1 6 3428 1 1 32 GLU HB3 H 7.152 -6.884 -2.885 1.00 . A A . 32 GLU HB3 1 1 6 3429 1 1 32 GLU HG2 H 5.449 -4.749 -1.530 1.00 . A A . 32 GLU HG2 1 1 6 3430 1 1 32 GLU HG3 H 5.046 -6.466 -1.686 1.00 . A A . 32 GLU HG3 1 1 6 3431 1 1 32 GLU N N 7.518 -3.527 -2.664 1.00 . A A . 32 GLU N 1 1 6 3432 1 1 32 GLU O O 9.871 -5.948 -3.707 1.00 . A A . 32 GLU O 1 1 6 3433 1 1 32 GLU OE1 O 7.444 -6.974 -0.298 1.00 . A A . 32 GLU OE1 1 1 6 3434 1 1 32 GLU OE2 O 6.323 -5.329 0.705 1.00 . A A . 32 GLU OE2 1 1 6 3435 1 1 33 MET C C 11.007 -3.722 -5.813 1.00 . A A . 33 MET C 1 1 6 3436 1 1 33 MET CA C 9.666 -4.434 -6.075 1.00 . A A . 33 MET CA 1 1 6 3437 1 1 33 MET CB C 8.943 -3.809 -7.277 1.00 . A A . 33 MET CB 1 1 6 3438 1 1 33 MET CE C 7.563 -3.434 -10.248 1.00 . A A . 33 MET CE 1 1 6 3439 1 1 33 MET CG C 9.587 -4.284 -8.582 1.00 . A A . 33 MET CG 1 1 6 3440 1 1 33 MET H H 8.036 -3.682 -4.933 1.00 . A A . 33 MET H 1 1 6 3441 1 1 33 MET HA H 9.862 -5.486 -6.291 1.00 . A A . 33 MET HA 1 1 6 3442 1 1 33 MET HB2 H 7.896 -4.106 -7.265 1.00 . A A . 33 MET HB2 1 1 6 3443 1 1 33 MET HB3 H 9.008 -2.723 -7.215 1.00 . A A . 33 MET HB3 1 1 6 3444 1 1 33 MET HE1 H 7.385 -4.489 -10.457 1.00 . A A . 33 MET HE1 1 1 6 3445 1 1 33 MET HE2 H 7.015 -3.142 -9.353 1.00 . A A . 33 MET HE2 1 1 6 3446 1 1 33 MET HE3 H 7.227 -2.835 -11.093 1.00 . A A . 33 MET HE3 1 1 6 3447 1 1 33 MET HG2 H 10.657 -4.392 -8.426 1.00 . A A . 33 MET HG2 1 1 6 3448 1 1 33 MET HG3 H 9.175 -5.257 -8.836 1.00 . A A . 33 MET HG3 1 1 6 3449 1 1 33 MET N N 8.799 -4.348 -4.907 1.00 . A A . 33 MET N 1 1 6 3450 1 1 33 MET O O 11.491 -2.973 -6.661 1.00 . A A . 33 MET O 1 1 6 3451 1 1 33 MET SD S 9.330 -3.166 -9.984 1.00 . A A . 33 MET SD 1 1 6 3452 1 1 34 THR C C 13.987 -4.422 -4.632 1.00 . A A . 34 THR C 1 1 6 3453 1 1 34 THR CA C 12.907 -3.401 -4.298 1.00 . A A . 34 THR CA 1 1 6 3454 1 1 34 THR CB C 12.934 -3.049 -2.804 1.00 . A A . 34 THR CB 1 1 6 3455 1 1 34 THR CG2 C 12.482 -1.600 -2.610 1.00 . A A . 34 THR CG2 1 1 6 3456 1 1 34 THR H H 11.164 -4.575 -3.975 1.00 . A A . 34 THR H 1 1 6 3457 1 1 34 THR HA H 13.079 -2.496 -4.881 1.00 . A A . 34 THR HA 1 1 6 3458 1 1 34 THR HB H 13.950 -3.162 -2.424 1.00 . A A . 34 THR HB 1 1 6 3459 1 1 34 THR HG1 H 11.170 -3.575 -2.168 1.00 . A A . 34 THR HG1 1 1 6 3460 1 1 34 THR HG21 H 11.545 -1.434 -3.142 1.00 . A A . 34 THR HG21 1 1 6 3461 1 1 34 THR HG22 H 12.337 -1.403 -1.548 1.00 . A A . 34 THR HG22 1 1 6 3462 1 1 34 THR HG23 H 13.244 -0.926 -3.002 1.00 . A A . 34 THR HG23 1 1 6 3463 1 1 34 THR N N 11.609 -3.966 -4.645 1.00 . A A . 34 THR N 1 1 6 3464 1 1 34 THR O O 15.069 -4.063 -5.093 1.00 . A A . 34 THR O 1 1 6 3465 1 1 34 THR OG1 O 12.069 -3.914 -2.093 1.00 . A A . 34 THR OG1 1 1 6 3466 1 1 35 LEU C C 13.764 -8.038 -5.059 1.00 . A A . 35 LEU C 1 1 6 3467 1 1 35 LEU CA C 14.587 -6.798 -4.690 1.00 . A A . 35 LEU CA 1 1 6 3468 1 1 35 LEU CB C 15.481 -7.052 -3.461 1.00 . A A . 35 LEU CB 1 1 6 3469 1 1 35 LEU CD1 C 17.835 -7.290 -2.649 1.00 . A A . 35 LEU CD1 1 1 6 3470 1 1 35 LEU CD2 C 17.109 -8.520 -4.698 1.00 . A A . 35 LEU CD2 1 1 6 3471 1 1 35 LEU CG C 16.945 -7.228 -3.892 1.00 . A A . 35 LEU CG 1 1 6 3472 1 1 35 LEU H H 12.773 -5.927 -4.011 1.00 . A A . 35 LEU H 1 1 6 3473 1 1 35 LEU HA H 15.213 -6.525 -5.540 1.00 . A A . 35 LEU HA 1 1 6 3474 1 1 35 LEU HB2 H 15.411 -6.200 -2.784 1.00 . A A . 35 LEU HB2 1 1 6 3475 1 1 35 LEU HB3 H 15.145 -7.948 -2.937 1.00 . A A . 35 LEU HB3 1 1 6 3476 1 1 35 LEU HD11 H 17.731 -6.365 -2.080 1.00 . A A . 35 LEU HD11 1 1 6 3477 1 1 35 LEU HD12 H 17.535 -8.134 -2.027 1.00 . A A . 35 LEU HD12 1 1 6 3478 1 1 35 LEU HD13 H 18.875 -7.414 -2.951 1.00 . A A . 35 LEU HD13 1 1 6 3479 1 1 35 LEU HD21 H 16.737 -9.364 -4.116 1.00 . A A . 35 LEU HD21 1 1 6 3480 1 1 35 LEU HD22 H 16.548 -8.446 -5.629 1.00 . A A . 35 LEU HD22 1 1 6 3481 1 1 35 LEU HD23 H 18.164 -8.675 -4.924 1.00 . A A . 35 LEU HD23 1 1 6 3482 1 1 35 LEU HG H 17.246 -6.378 -4.505 1.00 . A A . 35 LEU HG 1 1 6 3483 1 1 35 LEU N N 13.677 -5.703 -4.400 1.00 . A A . 35 LEU N 1 1 6 3484 1 1 35 LEU O O 14.168 -9.167 -4.783 1.00 . A A . 35 LEU O 1 1 6 3485 1 1 36 LYS C C 11.112 -8.561 -7.459 1.00 . A A . 36 LYS C 1 1 6 3486 1 1 36 LYS CA C 11.703 -8.887 -6.091 1.00 . A A . 36 LYS CA 1 1 6 3487 1 1 36 LYS CB C 10.570 -9.043 -5.064 1.00 . A A . 36 LYS CB 1 1 6 3488 1 1 36 LYS CD C 10.006 -9.413 -2.657 1.00 . A A . 36 LYS CD 1 1 6 3489 1 1 36 LYS CE C 10.311 -8.805 -1.286 1.00 . A A . 36 LYS CE 1 1 6 3490 1 1 36 LYS CG C 11.129 -9.061 -3.640 1.00 . A A . 36 LYS CG 1 1 6 3491 1 1 36 LYS H H 12.320 -6.865 -5.892 1.00 . A A . 36 LYS H 1 1 6 3492 1 1 36 LYS HA H 12.260 -9.823 -6.157 1.00 . A A . 36 LYS HA 1 1 6 3493 1 1 36 LYS HB2 H 9.876 -8.207 -5.166 1.00 . A A . 36 LYS HB2 1 1 6 3494 1 1 36 LYS HB3 H 10.038 -9.975 -5.254 1.00 . A A . 36 LYS HB3 1 1 6 3495 1 1 36 LYS HD2 H 9.059 -9.016 -3.027 1.00 . A A . 36 LYS HD2 1 1 6 3496 1 1 36 LYS HD3 H 9.933 -10.497 -2.566 1.00 . A A . 36 LYS HD3 1 1 6 3497 1 1 36 LYS HE2 H 9.747 -9.342 -0.522 1.00 . A A . 36 LYS HE2 1 1 6 3498 1 1 36 LYS HE3 H 11.378 -8.903 -1.078 1.00 . A A . 36 LYS HE3 1 1 6 3499 1 1 36 LYS HG2 H 11.922 -9.806 -3.566 1.00 . A A . 36 LYS HG2 1 1 6 3500 1 1 36 LYS HG3 H 11.531 -8.077 -3.395 1.00 . A A . 36 LYS HG3 1 1 6 3501 1 1 36 LYS HZ1 H 10.202 -6.931 -2.116 1.00 . A A . 36 LYS HZ1 1 1 6 3502 1 1 36 LYS HZ2 H 8.932 -7.298 -1.118 1.00 . A A . 36 LYS HZ2 1 1 6 3503 1 1 36 LYS HZ3 H 10.407 -6.927 -0.476 1.00 . A A . 36 LYS HZ3 1 1 6 3504 1 1 36 LYS N N 12.598 -7.813 -5.687 1.00 . A A . 36 LYS N 1 1 6 3505 1 1 36 LYS NZ N 9.937 -7.379 -1.246 1.00 . A A . 36 LYS NZ 1 1 6 3506 1 1 36 LYS O O 11.324 -7.469 -7.987 1.00 . A A . 36 LYS O 1 1 6 3507 1 1 37 PHE C C 8.602 -8.269 -9.169 1.00 . A A . 37 PHE C 1 1 6 3508 1 1 37 PHE CA C 9.709 -9.315 -9.310 1.00 . A A . 37 PHE CA 1 1 6 3509 1 1 37 PHE CB C 9.135 -10.650 -9.791 1.00 . A A . 37 PHE CB 1 1 6 3510 1 1 37 PHE CD1 C 9.164 -10.546 -12.319 1.00 . A A . 37 PHE CD1 1 1 6 3511 1 1 37 PHE CD2 C 7.019 -10.456 -11.168 1.00 . A A . 37 PHE CD2 1 1 6 3512 1 1 37 PHE CE1 C 8.503 -10.448 -13.556 1.00 . A A . 37 PHE CE1 1 1 6 3513 1 1 37 PHE CE2 C 6.360 -10.359 -12.405 1.00 . A A . 37 PHE CE2 1 1 6 3514 1 1 37 PHE CG C 8.423 -10.550 -11.124 1.00 . A A . 37 PHE CG 1 1 6 3515 1 1 37 PHE CZ C 7.102 -10.356 -13.599 1.00 . A A . 37 PHE CZ 1 1 6 3516 1 1 37 PHE H H 10.228 -10.390 -7.549 1.00 . A A . 37 PHE H 1 1 6 3517 1 1 37 PHE HA H 10.444 -8.962 -10.034 1.00 . A A . 37 PHE HA 1 1 6 3518 1 1 37 PHE HB2 H 9.951 -11.368 -9.885 1.00 . A A . 37 PHE HB2 1 1 6 3519 1 1 37 PHE HB3 H 8.431 -11.019 -9.044 1.00 . A A . 37 PHE HB3 1 1 6 3520 1 1 37 PHE HD1 H 10.242 -10.615 -12.287 1.00 . A A . 37 PHE HD1 1 1 6 3521 1 1 37 PHE HD2 H 6.447 -10.458 -10.251 1.00 . A A . 37 PHE HD2 1 1 6 3522 1 1 37 PHE HE1 H 9.073 -10.444 -14.474 1.00 . A A . 37 PHE HE1 1 1 6 3523 1 1 37 PHE HE2 H 5.283 -10.287 -12.438 1.00 . A A . 37 PHE HE2 1 1 6 3524 1 1 37 PHE HZ H 6.594 -10.282 -14.549 1.00 . A A . 37 PHE HZ 1 1 6 3525 1 1 37 PHE N N 10.361 -9.511 -8.025 1.00 . A A . 37 PHE N 1 1 6 3526 1 1 37 PHE O O 8.354 -7.496 -10.093 1.00 . A A . 37 PHE O 1 1 6 3527 1 1 38 GLY C C 6.504 -7.341 -6.259 1.00 . A A . 38 GLY C 1 1 6 3528 1 1 38 GLY CA C 6.870 -7.308 -7.739 1.00 . A A . 38 GLY CA 1 1 6 3529 1 1 38 GLY H H 8.185 -8.904 -7.277 1.00 . A A . 38 GLY H 1 1 6 3530 1 1 38 GLY HA2 H 7.195 -6.304 -8.007 1.00 . A A . 38 GLY HA2 1 1 6 3531 1 1 38 GLY HA3 H 5.997 -7.577 -8.334 1.00 . A A . 38 GLY HA3 1 1 6 3532 1 1 38 GLY N N 7.940 -8.248 -8.006 1.00 . A A . 38 GLY N 1 1 6 3533 1 1 38 GLY O O 5.410 -6.828 -5.939 1.00 . A A . 38 GLY O 1 1 6 3534 1 1 38 GLY OXT O 7.257 -7.995 -5.501 1.00 . A A . 38 GLY OXT 1 1 7 3535 1 1 1 MET C C -19.320 -3.277 5.218 1.00 . A A . 1 MET C 1 1 7 3536 1 1 1 MET CA C -20.405 -4.113 5.893 1.00 . A A . 1 MET CA 1 1 7 3537 1 1 1 MET CB C -19.890 -4.720 7.208 1.00 . A A . 1 MET CB 1 1 7 3538 1 1 1 MET CE C -21.962 -3.435 9.339 1.00 . A A . 1 MET CE 1 1 7 3539 1 1 1 MET CG C -19.452 -3.617 8.184 1.00 . A A . 1 MET CG 1 1 7 3540 1 1 1 MET H1 H -20.052 -5.753 4.728 1.00 . A A . 1 MET H1 1 1 7 3541 1 1 1 MET H2 H -21.539 -5.754 5.443 1.00 . A A . 1 MET H2 1 1 7 3542 1 1 1 MET H3 H -21.247 -4.772 4.151 1.00 . A A . 1 MET H3 1 1 7 3543 1 1 1 MET HA H -21.259 -3.472 6.111 1.00 . A A . 1 MET HA 1 1 7 3544 1 1 1 MET HB2 H -20.682 -5.312 7.665 1.00 . A A . 1 MET HB2 1 1 7 3545 1 1 1 MET HB3 H -19.038 -5.368 6.994 1.00 . A A . 1 MET HB3 1 1 7 3546 1 1 1 MET HE1 H -21.503 -3.979 10.164 1.00 . A A . 1 MET HE1 1 1 7 3547 1 1 1 MET HE2 H -22.776 -2.818 9.720 1.00 . A A . 1 MET HE2 1 1 7 3548 1 1 1 MET HE3 H -22.356 -4.143 8.612 1.00 . A A . 1 MET HE3 1 1 7 3549 1 1 1 MET HG2 H -19.154 -4.087 9.121 1.00 . A A . 1 MET HG2 1 1 7 3550 1 1 1 MET HG3 H -18.585 -3.108 7.766 1.00 . A A . 1 MET HG3 1 1 7 3551 1 1 1 MET N N -20.846 -5.182 4.983 1.00 . A A . 1 MET N 1 1 7 3552 1 1 1 MET O O -18.454 -3.824 4.542 1.00 . A A . 1 MET O 1 1 7 3553 1 1 1 MET SD S -20.724 -2.375 8.549 1.00 . A A . 1 MET SD 1 1 7 3554 1 1 2 SER C C -17.043 -1.245 5.481 1.00 . A A . 2 SER C 1 1 7 3555 1 1 2 SER CA C -18.400 -1.051 4.811 1.00 . A A . 2 SER CA 1 1 7 3556 1 1 2 SER CB C -18.882 0.393 4.981 1.00 . A A . 2 SER CB 1 1 7 3557 1 1 2 SER H H -20.109 -1.558 5.969 1.00 . A A . 2 SER H 1 1 7 3558 1 1 2 SER HA H -18.310 -1.272 3.746 1.00 . A A . 2 SER HA 1 1 7 3559 1 1 2 SER HB2 H -19.865 0.505 4.522 1.00 . A A . 2 SER HB2 1 1 7 3560 1 1 2 SER HB3 H -18.948 0.633 6.044 1.00 . A A . 2 SER HB3 1 1 7 3561 1 1 2 SER HG H -17.447 1.714 5.045 1.00 . A A . 2 SER HG 1 1 7 3562 1 1 2 SER N N -19.375 -1.954 5.402 1.00 . A A . 2 SER N 1 1 7 3563 1 1 2 SER O O -16.944 -1.203 6.708 1.00 . A A . 2 SER O 1 1 7 3564 1 1 2 SER OG O -17.972 1.274 4.357 1.00 . A A . 2 SER OG 1 1 7 3565 1 1 3 ASP C C -14.072 -0.242 5.512 1.00 . A A . 3 ASP C 1 1 7 3566 1 1 3 ASP CA C -14.649 -1.624 5.193 1.00 . A A . 3 ASP CA 1 1 7 3567 1 1 3 ASP CB C -13.788 -2.376 4.169 1.00 . A A . 3 ASP CB 1 1 7 3568 1 1 3 ASP CG C -12.465 -2.826 4.784 1.00 . A A . 3 ASP CG 1 1 7 3569 1 1 3 ASP H H -16.130 -1.492 3.675 1.00 . A A . 3 ASP H 1 1 7 3570 1 1 3 ASP HA H -14.693 -2.211 6.113 1.00 . A A . 3 ASP HA 1 1 7 3571 1 1 3 ASP HB2 H -14.333 -3.255 3.822 1.00 . A A . 3 ASP HB2 1 1 7 3572 1 1 3 ASP HB3 H -13.586 -1.726 3.317 1.00 . A A . 3 ASP HB3 1 1 7 3573 1 1 3 ASP N N -15.994 -1.455 4.674 1.00 . A A . 3 ASP N 1 1 7 3574 1 1 3 ASP O O -13.245 0.287 4.769 1.00 . A A . 3 ASP O 1 1 7 3575 1 1 3 ASP OD1 O -11.993 -2.124 5.702 1.00 . A A . 3 ASP OD1 1 1 7 3576 1 1 3 ASP OD2 O -11.946 -3.867 4.328 1.00 . A A . 3 ASP OD2 1 1 7 3577 1 1 4 ASP C C -12.663 1.606 7.592 1.00 . A A . 4 ASP C 1 1 7 3578 1 1 4 ASP CA C -14.095 1.661 7.052 1.00 . A A . 4 ASP CA 1 1 7 3579 1 1 4 ASP CB C -15.059 2.182 8.123 1.00 . A A . 4 ASP CB 1 1 7 3580 1 1 4 ASP CG C -16.503 2.168 7.624 1.00 . A A . 4 ASP CG 1 1 7 3581 1 1 4 ASP H H -15.212 -0.147 7.194 1.00 . A A . 4 ASP H 1 1 7 3582 1 1 4 ASP HA H -14.122 2.336 6.196 1.00 . A A . 4 ASP HA 1 1 7 3583 1 1 4 ASP HB2 H -14.982 1.553 9.011 1.00 . A A . 4 ASP HB2 1 1 7 3584 1 1 4 ASP HB3 H -14.784 3.204 8.386 1.00 . A A . 4 ASP HB3 1 1 7 3585 1 1 4 ASP N N -14.531 0.339 6.624 1.00 . A A . 4 ASP N 1 1 7 3586 1 1 4 ASP O O -12.001 2.639 7.690 1.00 . A A . 4 ASP O 1 1 7 3587 1 1 4 ASP OD1 O -16.702 2.518 6.439 1.00 . A A . 4 ASP OD1 1 1 7 3588 1 1 4 ASP OD2 O -17.380 1.805 8.436 1.00 . A A . 4 ASP OD2 1 1 7 3589 1 1 5 LYS C C -9.827 0.827 7.474 1.00 . A A . 5 LYS C 1 1 7 3590 1 1 5 LYS CA C -10.837 0.209 8.456 1.00 . A A . 5 LYS CA 1 1 7 3591 1 1 5 LYS CB C -10.593 -1.300 8.641 1.00 . A A . 5 LYS CB 1 1 7 3592 1 1 5 LYS CD C -8.261 -1.960 7.847 1.00 . A A . 5 LYS CD 1 1 7 3593 1 1 5 LYS CE C -8.826 -3.193 7.119 1.00 . A A . 5 LYS CE 1 1 7 3594 1 1 5 LYS CG C -9.138 -1.586 9.063 1.00 . A A . 5 LYS CG 1 1 7 3595 1 1 5 LYS H H -12.774 -0.415 7.841 1.00 . A A . 5 LYS H 1 1 7 3596 1 1 5 LYS HA H -10.760 0.697 9.423 1.00 . A A . 5 LYS HA 1 1 7 3597 1 1 5 LYS HB2 H -11.265 -1.670 9.417 1.00 . A A . 5 LYS HB2 1 1 7 3598 1 1 5 LYS HB3 H -10.812 -1.811 7.716 1.00 . A A . 5 LYS HB3 1 1 7 3599 1 1 5 LYS HD2 H -8.211 -1.124 7.158 1.00 . A A . 5 LYS HD2 1 1 7 3600 1 1 5 LYS HD3 H -7.253 -2.188 8.198 1.00 . A A . 5 LYS HD3 1 1 7 3601 1 1 5 LYS HE2 H -8.016 -3.900 6.940 1.00 . A A . 5 LYS HE2 1 1 7 3602 1 1 5 LYS HE3 H -9.581 -3.672 7.744 1.00 . A A . 5 LYS HE3 1 1 7 3603 1 1 5 LYS HG2 H -8.721 -0.706 9.547 1.00 . A A . 5 LYS HG2 1 1 7 3604 1 1 5 LYS HG3 H -9.131 -2.416 9.770 1.00 . A A . 5 LYS HG3 1 1 7 3605 1 1 5 LYS HZ1 H -8.749 -2.345 5.250 1.00 . A A . 5 LYS HZ1 1 1 7 3606 1 1 5 LYS HZ2 H -9.745 -3.657 5.341 1.00 . A A . 5 LYS HZ2 1 1 7 3607 1 1 5 LYS HZ3 H -10.229 -2.212 5.974 1.00 . A A . 5 LYS HZ3 1 1 7 3608 1 1 5 LYS N N -12.186 0.398 7.940 1.00 . A A . 5 LYS N 1 1 7 3609 1 1 5 LYS NZ N -9.432 -2.823 5.820 1.00 . A A . 5 LYS NZ 1 1 7 3610 1 1 5 LYS O O -9.784 0.426 6.310 1.00 . A A . 5 LYS O 1 1 7 3611 1 1 6 PRO C C -6.956 1.450 6.666 1.00 . A A . 6 PRO C 1 1 7 3612 1 1 6 PRO CA C -8.032 2.451 7.085 1.00 . A A . 6 PRO CA 1 1 7 3613 1 1 6 PRO CB C -7.438 3.586 7.925 1.00 . A A . 6 PRO CB 1 1 7 3614 1 1 6 PRO CD C -9.040 2.319 9.288 1.00 . A A . 6 PRO CD 1 1 7 3615 1 1 6 PRO CG C -7.980 3.417 9.347 1.00 . A A . 6 PRO CG 1 1 7 3616 1 1 6 PRO HA H -8.520 2.861 6.201 1.00 . A A . 6 PRO HA 1 1 7 3617 1 1 6 PRO HB2 H -6.350 3.523 7.929 1.00 . A A . 6 PRO HB2 1 1 7 3618 1 1 6 PRO HB3 H -7.752 4.548 7.523 1.00 . A A . 6 PRO HB3 1 1 7 3619 1 1 6 PRO HD2 H -8.794 1.527 9.995 1.00 . A A . 6 PRO HD2 1 1 7 3620 1 1 6 PRO HD3 H -10.021 2.736 9.514 1.00 . A A . 6 PRO HD3 1 1 7 3621 1 1 6 PRO HG2 H -7.175 3.121 10.020 1.00 . A A . 6 PRO HG2 1 1 7 3622 1 1 6 PRO HG3 H -8.428 4.351 9.691 1.00 . A A . 6 PRO HG3 1 1 7 3623 1 1 6 PRO N N -9.014 1.808 7.930 1.00 . A A . 6 PRO N 1 1 7 3624 1 1 6 PRO O O -6.354 0.793 7.514 1.00 . A A . 6 PRO O 1 1 7 3625 1 1 7 PHE C C -4.333 1.080 4.977 1.00 . A A . 7 PHE C 1 1 7 3626 1 1 7 PHE CA C -5.707 0.431 4.832 1.00 . A A . 7 PHE CA 1 1 7 3627 1 1 7 PHE CB C -6.010 0.112 3.364 1.00 . A A . 7 PHE CB 1 1 7 3628 1 1 7 PHE CD1 C -8.538 -0.066 3.250 1.00 . A A . 7 PHE CD1 1 1 7 3629 1 1 7 PHE CD2 C -7.201 -2.065 2.871 1.00 . A A . 7 PHE CD2 1 1 7 3630 1 1 7 PHE CE1 C -9.710 -0.813 3.049 1.00 . A A . 7 PHE CE1 1 1 7 3631 1 1 7 PHE CE2 C -8.374 -2.810 2.667 1.00 . A A . 7 PHE CE2 1 1 7 3632 1 1 7 PHE CG C -7.280 -0.691 3.161 1.00 . A A . 7 PHE CG 1 1 7 3633 1 1 7 PHE CZ C -9.628 -2.183 2.753 1.00 . A A . 7 PHE CZ 1 1 7 3634 1 1 7 PHE H H -7.237 1.903 4.698 1.00 . A A . 7 PHE H 1 1 7 3635 1 1 7 PHE HA H -5.727 -0.497 5.406 1.00 . A A . 7 PHE HA 1 1 7 3636 1 1 7 PHE HB2 H -6.095 1.046 2.810 1.00 . A A . 7 PHE HB2 1 1 7 3637 1 1 7 PHE HB3 H -5.177 -0.455 2.955 1.00 . A A . 7 PHE HB3 1 1 7 3638 1 1 7 PHE HD1 H -8.604 0.988 3.472 1.00 . A A . 7 PHE HD1 1 1 7 3639 1 1 7 PHE HD2 H -6.238 -2.548 2.800 1.00 . A A . 7 PHE HD2 1 1 7 3640 1 1 7 PHE HE1 H -10.676 -0.331 3.119 1.00 . A A . 7 PHE HE1 1 1 7 3641 1 1 7 PHE HE2 H -8.313 -3.864 2.443 1.00 . A A . 7 PHE HE2 1 1 7 3642 1 1 7 PHE HZ H -10.530 -2.754 2.593 1.00 . A A . 7 PHE HZ 1 1 7 3643 1 1 7 PHE N N -6.713 1.340 5.355 1.00 . A A . 7 PHE N 1 1 7 3644 1 1 7 PHE O O -3.874 1.771 4.072 1.00 . A A . 7 PHE O 1 1 7 3645 1 1 8 LEU C C -1.275 0.479 5.942 1.00 . A A . 8 LEU C 1 1 7 3646 1 1 8 LEU CA C -2.376 1.428 6.411 1.00 . A A . 8 LEU CA 1 1 7 3647 1 1 8 LEU CB C -2.257 1.673 7.921 1.00 . A A . 8 LEU CB 1 1 7 3648 1 1 8 LEU CD1 C -3.556 2.781 9.753 1.00 . A A . 8 LEU CD1 1 1 7 3649 1 1 8 LEU CD2 C -2.159 4.159 8.205 1.00 . A A . 8 LEU CD2 1 1 7 3650 1 1 8 LEU CG C -3.056 2.922 8.314 1.00 . A A . 8 LEU CG 1 1 7 3651 1 1 8 LEU H H -4.117 0.278 6.834 1.00 . A A . 8 LEU H 1 1 7 3652 1 1 8 LEU HA H -2.275 2.378 5.889 1.00 . A A . 8 LEU HA 1 1 7 3653 1 1 8 LEU HB2 H -2.647 0.807 8.458 1.00 . A A . 8 LEU HB2 1 1 7 3654 1 1 8 LEU HB3 H -1.208 1.816 8.184 1.00 . A A . 8 LEU HB3 1 1 7 3655 1 1 8 LEU HD11 H -2.708 2.625 10.420 1.00 . A A . 8 LEU HD11 1 1 7 3656 1 1 8 LEU HD12 H -4.085 3.689 10.045 1.00 . A A . 8 LEU HD12 1 1 7 3657 1 1 8 LEU HD13 H -4.234 1.930 9.821 1.00 . A A . 8 LEU HD13 1 1 7 3658 1 1 8 LEU HD21 H -1.745 4.223 7.199 1.00 . A A . 8 LEU HD21 1 1 7 3659 1 1 8 LEU HD22 H -2.747 5.053 8.413 1.00 . A A . 8 LEU HD22 1 1 7 3660 1 1 8 LEU HD23 H -1.346 4.084 8.927 1.00 . A A . 8 LEU HD23 1 1 7 3661 1 1 8 LEU HG H -3.910 3.034 7.645 1.00 . A A . 8 LEU HG 1 1 7 3662 1 1 8 LEU N N -3.686 0.858 6.127 1.00 . A A . 8 LEU N 1 1 7 3663 1 1 8 LEU O O -1.140 -0.623 6.467 1.00 . A A . 8 LEU O 1 1 7 3664 1 1 9 CYS C C 1.768 0.121 5.465 1.00 . A A . 9 CYS C 1 1 7 3665 1 1 9 CYS CA C 0.630 0.116 4.452 1.00 . A A . 9 CYS CA 1 1 7 3666 1 1 9 CYS CB C 1.115 0.686 3.121 1.00 . A A . 9 CYS CB 1 1 7 3667 1 1 9 CYS H H -0.645 1.823 4.537 1.00 . A A . 9 CYS H 1 1 7 3668 1 1 9 CYS HA H 0.294 -0.911 4.296 1.00 . A A . 9 CYS HA 1 1 7 3669 1 1 9 CYS HB2 H 0.333 0.587 2.375 1.00 . A A . 9 CYS HB2 1 1 7 3670 1 1 9 CYS HB3 H 1.373 1.742 3.244 1.00 . A A . 9 CYS HB3 1 1 7 3671 1 1 9 CYS N N -0.480 0.913 4.954 1.00 . A A . 9 CYS N 1 1 7 3672 1 1 9 CYS O O 2.646 0.979 5.401 1.00 . A A . 9 CYS O 1 1 7 3673 1 1 9 CYS SG S 2.582 -0.244 2.593 1.00 . A A . 9 CYS SG 1 1 7 3674 1 1 10 THR C C 4.151 -1.154 6.713 1.00 . A A . 10 THR C 1 1 7 3675 1 1 10 THR CA C 2.798 -0.949 7.399 1.00 . A A . 10 THR CA 1 1 7 3676 1 1 10 THR CB C 2.473 -2.123 8.331 1.00 . A A . 10 THR CB 1 1 7 3677 1 1 10 THR CG2 C 3.403 -2.095 9.545 1.00 . A A . 10 THR CG2 1 1 7 3678 1 1 10 THR H H 1.002 -1.512 6.409 1.00 . A A . 10 THR H 1 1 7 3679 1 1 10 THR HA H 2.827 -0.028 7.983 1.00 . A A . 10 THR HA 1 1 7 3680 1 1 10 THR HB H 2.606 -3.063 7.793 1.00 . A A . 10 THR HB 1 1 7 3681 1 1 10 THR HG1 H 0.945 -2.754 9.354 1.00 . A A . 10 THR HG1 1 1 7 3682 1 1 10 THR HG21 H 3.284 -1.149 10.076 1.00 . A A . 10 THR HG21 1 1 7 3683 1 1 10 THR HG22 H 3.153 -2.918 10.215 1.00 . A A . 10 THR HG22 1 1 7 3684 1 1 10 THR HG23 H 4.437 -2.198 9.217 1.00 . A A . 10 THR HG23 1 1 7 3685 1 1 10 THR N N 1.755 -0.837 6.394 1.00 . A A . 10 THR N 1 1 7 3686 1 1 10 THR O O 4.360 -2.163 6.041 1.00 . A A . 10 THR O 1 1 7 3687 1 1 10 THR OG1 O 1.134 -2.019 8.765 1.00 . A A . 10 THR OG1 1 1 7 3688 1 1 11 ALA C C 7.349 0.590 7.140 1.00 . A A . 11 ALA C 1 1 7 3689 1 1 11 ALA CA C 6.391 -0.256 6.295 1.00 . A A . 11 ALA CA 1 1 7 3690 1 1 11 ALA CB C 6.332 0.241 4.844 1.00 . A A . 11 ALA CB 1 1 7 3691 1 1 11 ALA H H 4.833 0.622 7.440 1.00 . A A . 11 ALA H 1 1 7 3692 1 1 11 ALA HA H 6.730 -1.291 6.302 1.00 . A A . 11 ALA HA 1 1 7 3693 1 1 11 ALA HB1 H 5.365 0.706 4.653 1.00 . A A . 11 ALA HB1 1 1 7 3694 1 1 11 ALA HB2 H 7.122 0.971 4.674 1.00 . A A . 11 ALA HB2 1 1 7 3695 1 1 11 ALA HB3 H 6.465 -0.602 4.165 1.00 . A A . 11 ALA HB3 1 1 7 3696 1 1 11 ALA N N 5.062 -0.190 6.882 1.00 . A A . 11 ALA N 1 1 7 3697 1 1 11 ALA O O 6.901 1.405 7.945 1.00 . A A . 11 ALA O 1 1 7 3698 1 1 12 PRO C C 9.663 2.604 7.370 1.00 . A A . 12 PRO C 1 1 7 3699 1 1 12 PRO CA C 9.674 1.117 7.730 1.00 . A A . 12 PRO CA 1 1 7 3700 1 1 12 PRO CB C 11.009 0.461 7.363 1.00 . A A . 12 PRO CB 1 1 7 3701 1 1 12 PRO CD C 9.230 -0.554 6.026 1.00 . A A . 12 PRO CD 1 1 7 3702 1 1 12 PRO CG C 10.743 -0.366 6.102 1.00 . A A . 12 PRO CG 1 1 7 3703 1 1 12 PRO HA H 9.486 0.996 8.797 1.00 . A A . 12 PRO HA 1 1 7 3704 1 1 12 PRO HB2 H 11.770 1.217 7.169 1.00 . A A . 12 PRO HB2 1 1 7 3705 1 1 12 PRO HB3 H 11.333 -0.194 8.173 1.00 . A A . 12 PRO HB3 1 1 7 3706 1 1 12 PRO HD2 H 8.878 -0.344 5.017 1.00 . A A . 12 PRO HD2 1 1 7 3707 1 1 12 PRO HD3 H 8.966 -1.571 6.314 1.00 . A A . 12 PRO HD3 1 1 7 3708 1 1 12 PRO HG2 H 11.090 0.179 5.224 1.00 . A A . 12 PRO HG2 1 1 7 3709 1 1 12 PRO HG3 H 11.244 -1.332 6.169 1.00 . A A . 12 PRO HG3 1 1 7 3710 1 1 12 PRO N N 8.671 0.395 6.969 1.00 . A A . 12 PRO N 1 1 7 3711 1 1 12 PRO O O 9.213 3.429 8.160 1.00 . A A . 12 PRO O 1 1 7 3712 1 1 13 GLY C C 9.008 4.712 4.920 1.00 . A A . 13 GLY C 1 1 7 3713 1 1 13 GLY CA C 10.246 4.325 5.726 1.00 . A A . 13 GLY CA 1 1 7 3714 1 1 13 GLY H H 10.513 2.220 5.559 1.00 . A A . 13 GLY H 1 1 7 3715 1 1 13 GLY HA2 H 10.330 4.983 6.591 1.00 . A A . 13 GLY HA2 1 1 7 3716 1 1 13 GLY HA3 H 11.131 4.446 5.101 1.00 . A A . 13 GLY HA3 1 1 7 3717 1 1 13 GLY N N 10.167 2.941 6.174 1.00 . A A . 13 GLY N 1 1 7 3718 1 1 13 GLY O O 9.095 5.544 4.019 1.00 . A A . 13 GLY O 1 1 7 3719 1 1 14 CYS C C 5.419 3.952 5.353 1.00 . A A . 14 CYS C 1 1 7 3720 1 1 14 CYS CA C 6.613 4.434 4.540 1.00 . A A . 14 CYS CA 1 1 7 3721 1 1 14 CYS CB C 6.623 3.776 3.161 1.00 . A A . 14 CYS CB 1 1 7 3722 1 1 14 CYS H H 7.828 3.427 5.979 1.00 . A A . 14 CYS H 1 1 7 3723 1 1 14 CYS HA H 6.544 5.515 4.415 1.00 . A A . 14 CYS HA 1 1 7 3724 1 1 14 CYS HB2 H 7.479 4.132 2.589 1.00 . A A . 14 CYS HB2 1 1 7 3725 1 1 14 CYS HB3 H 6.682 2.695 3.273 1.00 . A A . 14 CYS HB3 1 1 7 3726 1 1 14 CYS N N 7.852 4.116 5.237 1.00 . A A . 14 CYS N 1 1 7 3727 1 1 14 CYS O O 5.460 2.873 5.930 1.00 . A A . 14 CYS O 1 1 7 3728 1 1 14 CYS SG S 5.095 4.214 2.295 1.00 . A A . 14 CYS SG 1 1 7 3729 1 1 15 GLY C C 1.949 5.148 5.527 1.00 . A A . 15 GLY C 1 1 7 3730 1 1 15 GLY CA C 3.143 4.411 6.122 1.00 . A A . 15 GLY CA 1 1 7 3731 1 1 15 GLY H H 4.374 5.642 4.903 1.00 . A A . 15 GLY H 1 1 7 3732 1 1 15 GLY HA2 H 2.972 3.338 6.054 1.00 . A A . 15 GLY HA2 1 1 7 3733 1 1 15 GLY HA3 H 3.259 4.692 7.169 1.00 . A A . 15 GLY HA3 1 1 7 3734 1 1 15 GLY N N 4.352 4.758 5.392 1.00 . A A . 15 GLY N 1 1 7 3735 1 1 15 GLY O O 1.248 5.864 6.236 1.00 . A A . 15 GLY O 1 1 7 3736 1 1 16 GLN C C -0.682 4.891 3.810 1.00 . A A . 16 GLN C 1 1 7 3737 1 1 16 GLN CA C 0.625 5.637 3.536 1.00 . A A . 16 GLN CA 1 1 7 3738 1 1 16 GLN CB C 0.931 5.710 2.036 1.00 . A A . 16 GLN CB 1 1 7 3739 1 1 16 GLN CD C 0.418 6.998 -0.079 1.00 . A A . 16 GLN CD 1 1 7 3740 1 1 16 GLN CG C -0.003 6.726 1.364 1.00 . A A . 16 GLN CG 1 1 7 3741 1 1 16 GLN H H 2.322 4.367 3.680 1.00 . A A . 16 GLN H 1 1 7 3742 1 1 16 GLN HA H 0.538 6.649 3.924 1.00 . A A . 16 GLN HA 1 1 7 3743 1 1 16 GLN HB2 H 1.966 6.026 1.897 1.00 . A A . 16 GLN HB2 1 1 7 3744 1 1 16 GLN HB3 H 0.790 4.729 1.586 1.00 . A A . 16 GLN HB3 1 1 7 3745 1 1 16 GLN HE21 H -1.259 8.101 -0.403 1.00 . A A . 16 GLN HE21 1 1 7 3746 1 1 16 GLN HE22 H -0.168 7.970 -1.765 1.00 . A A . 16 GLN HE22 1 1 7 3747 1 1 16 GLN HG2 H -1.020 6.336 1.368 1.00 . A A . 16 GLN HG2 1 1 7 3748 1 1 16 GLN HG3 H 0.024 7.662 1.922 1.00 . A A . 16 GLN HG3 1 1 7 3749 1 1 16 GLN N N 1.722 4.973 4.218 1.00 . A A . 16 GLN N 1 1 7 3750 1 1 16 GLN NE2 N -0.402 7.752 -0.809 1.00 . A A . 16 GLN NE2 1 1 7 3751 1 1 16 GLN O O -0.673 3.679 4.047 1.00 . A A . 16 GLN O 1 1 7 3752 1 1 16 GLN OE1 O 1.466 6.534 -0.525 1.00 . A A . 16 GLN OE1 1 1 7 3753 1 1 17 ARG C C -4.002 5.199 2.835 1.00 . A A . 17 ARG C 1 1 7 3754 1 1 17 ARG CA C -3.119 5.084 4.067 1.00 . A A . 17 ARG CA 1 1 7 3755 1 1 17 ARG CB C -3.738 5.854 5.242 1.00 . A A . 17 ARG CB 1 1 7 3756 1 1 17 ARG CD C -6.230 6.129 4.960 1.00 . A A . 17 ARG CD 1 1 7 3757 1 1 17 ARG CG C -5.120 5.279 5.599 1.00 . A A . 17 ARG CG 1 1 7 3758 1 1 17 ARG CZ C -8.671 5.969 4.577 1.00 . A A . 17 ARG CZ 1 1 7 3759 1 1 17 ARG H H -1.734 6.612 3.560 1.00 . A A . 17 ARG H 1 1 7 3760 1 1 17 ARG HA H -3.023 4.037 4.341 1.00 . A A . 17 ARG HA 1 1 7 3761 1 1 17 ARG HB2 H -3.084 5.766 6.104 1.00 . A A . 17 ARG HB2 1 1 7 3762 1 1 17 ARG HB3 H -3.839 6.905 4.974 1.00 . A A . 17 ARG HB3 1 1 7 3763 1 1 17 ARG HD2 H -6.320 7.067 5.511 1.00 . A A . 17 ARG HD2 1 1 7 3764 1 1 17 ARG HD3 H -5.974 6.346 3.924 1.00 . A A . 17 ARG HD3 1 1 7 3765 1 1 17 ARG HE H -7.520 4.478 5.354 1.00 . A A . 17 ARG HE 1 1 7 3766 1 1 17 ARG HG2 H -5.195 4.251 5.242 1.00 . A A . 17 ARG HG2 1 1 7 3767 1 1 17 ARG HG3 H -5.243 5.290 6.683 1.00 . A A . 17 ARG HG3 1 1 7 3768 1 1 17 ARG HH11 H -7.819 7.723 3.971 1.00 . A A . 17 ARG HH11 1 1 7 3769 1 1 17 ARG HH12 H -9.549 7.617 3.748 1.00 . A A . 17 ARG HH12 1 1 7 3770 1 1 17 ARG HH21 H -9.811 4.352 5.083 1.00 . A A . 17 ARG HH21 1 1 7 3771 1 1 17 ARG HH22 H -10.681 5.681 4.356 1.00 . A A . 17 ARG HH22 1 1 7 3772 1 1 17 ARG N N -1.799 5.630 3.783 1.00 . A A . 17 ARG N 1 1 7 3773 1 1 17 ARG NE N -7.516 5.421 4.997 1.00 . A A . 17 ARG NE 1 1 7 3774 1 1 17 ARG NH1 N -8.680 7.203 4.056 1.00 . A A . 17 ARG NH1 1 1 7 3775 1 1 17 ARG NH2 N -9.814 5.278 4.680 1.00 . A A . 17 ARG NH2 1 1 7 3776 1 1 17 ARG O O -3.865 6.140 2.054 1.00 . A A . 17 ARG O 1 1 7 3777 1 1 18 PHE C C -7.207 3.731 2.051 1.00 . A A . 18 PHE C 1 1 7 3778 1 1 18 PHE CA C -5.851 4.228 1.562 1.00 . A A . 18 PHE CA 1 1 7 3779 1 1 18 PHE CB C -5.309 3.337 0.443 1.00 . A A . 18 PHE CB 1 1 7 3780 1 1 18 PHE CD1 C -2.838 3.073 0.881 1.00 . A A . 18 PHE CD1 1 1 7 3781 1 1 18 PHE CD2 C -3.541 4.472 -0.979 1.00 . A A . 18 PHE CD2 1 1 7 3782 1 1 18 PHE CE1 C -1.497 3.355 0.591 1.00 . A A . 18 PHE CE1 1 1 7 3783 1 1 18 PHE CE2 C -2.195 4.754 -1.269 1.00 . A A . 18 PHE CE2 1 1 7 3784 1 1 18 PHE CG C -3.862 3.629 0.100 1.00 . A A . 18 PHE CG 1 1 7 3785 1 1 18 PHE CZ C -1.174 4.196 -0.481 1.00 . A A . 18 PHE CZ 1 1 7 3786 1 1 18 PHE H H -4.969 3.484 3.348 1.00 . A A . 18 PHE H 1 1 7 3787 1 1 18 PHE HA H -5.966 5.244 1.181 1.00 . A A . 18 PHE HA 1 1 7 3788 1 1 18 PHE HB2 H -5.391 2.294 0.752 1.00 . A A . 18 PHE HB2 1 1 7 3789 1 1 18 PHE HB3 H -5.920 3.486 -0.446 1.00 . A A . 18 PHE HB3 1 1 7 3790 1 1 18 PHE HD1 H -3.084 2.438 1.713 1.00 . A A . 18 PHE HD1 1 1 7 3791 1 1 18 PHE HD2 H -4.326 4.907 -1.578 1.00 . A A . 18 PHE HD2 1 1 7 3792 1 1 18 PHE HE1 H -0.714 2.928 1.199 1.00 . A A . 18 PHE HE1 1 1 7 3793 1 1 18 PHE HE2 H -1.945 5.406 -2.094 1.00 . A A . 18 PHE HE2 1 1 7 3794 1 1 18 PHE HZ H -0.143 4.420 -0.693 1.00 . A A . 18 PHE HZ 1 1 7 3795 1 1 18 PHE N N -4.916 4.238 2.673 1.00 . A A . 18 PHE N 1 1 7 3796 1 1 18 PHE O O -7.310 3.178 3.149 1.00 . A A . 18 PHE O 1 1 7 3797 1 1 19 THR C C -9.930 2.148 0.999 1.00 . A A . 19 THR C 1 1 7 3798 1 1 19 THR CA C -9.601 3.524 1.593 1.00 . A A . 19 THR CA 1 1 7 3799 1 1 19 THR CB C -10.596 4.590 1.112 1.00 . A A . 19 THR CB 1 1 7 3800 1 1 19 THR CG2 C -10.726 4.557 -0.415 1.00 . A A . 19 THR CG2 1 1 7 3801 1 1 19 THR H H -8.104 4.393 0.352 1.00 . A A . 19 THR H 1 1 7 3802 1 1 19 THR HA H -9.672 3.455 2.678 1.00 . A A . 19 THR HA 1 1 7 3803 1 1 19 THR HB H -10.243 5.576 1.419 1.00 . A A . 19 THR HB 1 1 7 3804 1 1 19 THR HG1 H -12.102 3.432 1.529 1.00 . A A . 19 THR HG1 1 1 7 3805 1 1 19 THR HG21 H -9.737 4.587 -0.870 1.00 . A A . 19 THR HG21 1 1 7 3806 1 1 19 THR HG22 H -11.239 3.645 -0.718 1.00 . A A . 19 THR HG22 1 1 7 3807 1 1 19 THR HG23 H -11.304 5.420 -0.747 1.00 . A A . 19 THR HG23 1 1 7 3808 1 1 19 THR N N -8.247 3.935 1.239 1.00 . A A . 19 THR N 1 1 7 3809 1 1 19 THR O O -10.969 1.582 1.325 1.00 . A A . 19 THR O 1 1 7 3810 1 1 19 THR OG1 O -11.858 4.350 1.695 1.00 . A A . 19 THR OG1 1 1 7 3811 1 1 20 ASN C C -7.967 -0.497 -0.455 1.00 . A A . 20 ASN C 1 1 7 3812 1 1 20 ASN CA C -9.256 0.308 -0.488 1.00 . A A . 20 ASN CA 1 1 7 3813 1 1 20 ASN CB C -9.685 0.477 -1.949 1.00 . A A . 20 ASN CB 1 1 7 3814 1 1 20 ASN CG C -10.988 1.248 -2.087 1.00 . A A . 20 ASN CG 1 1 7 3815 1 1 20 ASN H H -8.208 2.121 -0.101 1.00 . A A . 20 ASN H 1 1 7 3816 1 1 20 ASN HA H -10.031 -0.237 0.054 1.00 . A A . 20 ASN HA 1 1 7 3817 1 1 20 ASN HB2 H -8.899 1.008 -2.488 1.00 . A A . 20 ASN HB2 1 1 7 3818 1 1 20 ASN HB3 H -9.814 -0.509 -2.397 1.00 . A A . 20 ASN HB3 1 1 7 3819 1 1 20 ASN HD21 H -10.228 2.272 -3.667 1.00 . A A . 20 ASN HD21 1 1 7 3820 1 1 20 ASN HD22 H -11.878 2.671 -3.226 1.00 . A A . 20 ASN HD22 1 1 7 3821 1 1 20 ASN N N -9.048 1.615 0.133 1.00 . A A . 20 ASN N 1 1 7 3822 1 1 20 ASN ND2 N -11.038 2.136 -3.071 1.00 . A A . 20 ASN ND2 1 1 7 3823 1 1 20 ASN O O -6.883 0.055 -0.251 1.00 . A A . 20 ASN O 1 1 7 3824 1 1 20 ASN OD1 O -11.927 1.040 -1.326 1.00 . A A . 20 ASN OD1 1 1 7 3825 1 1 21 GLU C C -6.316 -2.557 -2.159 1.00 . A A . 21 GLU C 1 1 7 3826 1 1 21 GLU CA C -6.949 -2.695 -0.770 1.00 . A A . 21 GLU CA 1 1 7 3827 1 1 21 GLU CB C -7.412 -4.141 -0.518 1.00 . A A . 21 GLU CB 1 1 7 3828 1 1 21 GLU CD C -5.134 -5.251 -0.588 1.00 . A A . 21 GLU CD 1 1 7 3829 1 1 21 GLU CG C -6.349 -4.918 0.274 1.00 . A A . 21 GLU CG 1 1 7 3830 1 1 21 GLU H H -9.012 -2.200 -0.825 1.00 . A A . 21 GLU H 1 1 7 3831 1 1 21 GLU HA H -6.219 -2.413 -0.011 1.00 . A A . 21 GLU HA 1 1 7 3832 1 1 21 GLU HB2 H -8.340 -4.126 0.055 1.00 . A A . 21 GLU HB2 1 1 7 3833 1 1 21 GLU HB3 H -7.592 -4.638 -1.473 1.00 . A A . 21 GLU HB3 1 1 7 3834 1 1 21 GLU HG2 H -6.030 -4.323 1.129 1.00 . A A . 21 GLU HG2 1 1 7 3835 1 1 21 GLU HG3 H -6.788 -5.848 0.636 1.00 . A A . 21 GLU HG3 1 1 7 3836 1 1 21 GLU N N -8.093 -1.807 -0.686 1.00 . A A . 21 GLU N 1 1 7 3837 1 1 21 GLU O O -5.149 -2.873 -2.340 1.00 . A A . 21 GLU O 1 1 7 3838 1 1 21 GLU OE1 O -5.346 -5.841 -1.667 1.00 . A A . 21 GLU OE1 1 1 7 3839 1 1 21 GLU OE2 O -4.013 -4.912 -0.146 1.00 . A A . 21 GLU OE2 1 1 7 3840 1 1 22 ASP C C -5.456 -0.927 -4.536 1.00 . A A . 22 ASP C 1 1 7 3841 1 1 22 ASP CA C -6.623 -1.907 -4.508 1.00 . A A . 22 ASP CA 1 1 7 3842 1 1 22 ASP CB C -7.772 -1.384 -5.372 1.00 . A A . 22 ASP CB 1 1 7 3843 1 1 22 ASP CG C -7.266 -0.924 -6.735 1.00 . A A . 22 ASP CG 1 1 7 3844 1 1 22 ASP H H -8.058 -1.815 -2.939 1.00 . A A . 22 ASP H 1 1 7 3845 1 1 22 ASP HA H -6.291 -2.871 -4.896 1.00 . A A . 22 ASP HA 1 1 7 3846 1 1 22 ASP HB2 H -8.507 -2.178 -5.511 1.00 . A A . 22 ASP HB2 1 1 7 3847 1 1 22 ASP HB3 H -8.246 -0.542 -4.866 1.00 . A A . 22 ASP HB3 1 1 7 3848 1 1 22 ASP N N -7.099 -2.075 -3.142 1.00 . A A . 22 ASP N 1 1 7 3849 1 1 22 ASP O O -4.410 -1.208 -5.119 1.00 . A A . 22 ASP O 1 1 7 3850 1 1 22 ASP OD1 O -7.215 -1.781 -7.641 1.00 . A A . 22 ASP OD1 1 1 7 3851 1 1 22 ASP OD2 O -6.939 0.280 -6.842 1.00 . A A . 22 ASP OD2 1 1 7 3852 1 1 23 HIS C C -3.448 0.792 -3.049 1.00 . A A . 23 HIS C 1 1 7 3853 1 1 23 HIS CA C -4.633 1.264 -3.882 1.00 . A A . 23 HIS CA 1 1 7 3854 1 1 23 HIS CB C -5.231 2.549 -3.305 1.00 . A A . 23 HIS CB 1 1 7 3855 1 1 23 HIS CD2 C -7.648 3.600 -3.354 1.00 . A A . 23 HIS CD2 1 1 7 3856 1 1 23 HIS CE1 C -8.299 2.890 -5.257 1.00 . A A . 23 HIS CE1 1 1 7 3857 1 1 23 HIS CG C -6.599 2.872 -3.859 1.00 . A A . 23 HIS CG 1 1 7 3858 1 1 23 HIS H H -6.519 0.401 -3.434 1.00 . A A . 23 HIS H 1 1 7 3859 1 1 23 HIS HA H -4.296 1.453 -4.902 1.00 . A A . 23 HIS HA 1 1 7 3860 1 1 23 HIS HB2 H -5.311 2.438 -2.226 1.00 . A A . 23 HIS HB2 1 1 7 3861 1 1 23 HIS HB3 H -4.558 3.378 -3.524 1.00 . A A . 23 HIS HB3 1 1 7 3862 1 1 23 HIS HD1 H -6.535 1.840 -5.757 1.00 . A A . 23 HIS HD1 1 1 7 3863 1 1 23 HIS HD2 H -7.634 4.095 -2.395 1.00 . A A . 23 HIS HD2 1 1 7 3864 1 1 23 HIS HE1 H -8.900 2.694 -6.133 1.00 . A A . 23 HIS HE1 1 1 7 3865 1 1 23 HIS N N -5.646 0.229 -3.907 1.00 . A A . 23 HIS N 1 1 7 3866 1 1 23 HIS ND1 N -7.048 2.418 -5.098 1.00 . A A . 23 HIS ND1 1 1 7 3867 1 1 23 HIS NE2 N -8.727 3.619 -4.225 1.00 . A A . 23 HIS NE2 1 1 7 3868 1 1 23 HIS O O -2.305 1.143 -3.330 1.00 . A A . 23 HIS O 1 1 7 3869 1 1 24 LEU C C -1.873 -1.586 -1.977 1.00 . A A . 24 LEU C 1 1 7 3870 1 1 24 LEU CA C -2.685 -0.565 -1.179 1.00 . A A . 24 LEU CA 1 1 7 3871 1 1 24 LEU CB C -3.321 -1.220 0.052 1.00 . A A . 24 LEU CB 1 1 7 3872 1 1 24 LEU CD1 C -2.261 -0.019 1.978 1.00 . A A . 24 LEU CD1 1 1 7 3873 1 1 24 LEU CD2 C -2.690 -2.461 2.139 1.00 . A A . 24 LEU CD2 1 1 7 3874 1 1 24 LEU CG C -2.291 -1.324 1.197 1.00 . A A . 24 LEU CG 1 1 7 3875 1 1 24 LEU H H -4.686 -0.269 -1.829 1.00 . A A . 24 LEU H 1 1 7 3876 1 1 24 LEU HA H -2.028 0.243 -0.856 1.00 . A A . 24 LEU HA 1 1 7 3877 1 1 24 LEU HB2 H -4.170 -0.621 0.382 1.00 . A A . 24 LEU HB2 1 1 7 3878 1 1 24 LEU HB3 H -3.672 -2.216 -0.217 1.00 . A A . 24 LEU HB3 1 1 7 3879 1 1 24 LEU HD11 H -3.277 0.325 2.148 1.00 . A A . 24 LEU HD11 1 1 7 3880 1 1 24 LEU HD12 H -1.771 -0.182 2.935 1.00 . A A . 24 LEU HD12 1 1 7 3881 1 1 24 LEU HD13 H -1.712 0.726 1.411 1.00 . A A . 24 LEU HD13 1 1 7 3882 1 1 24 LEU HD21 H -2.760 -3.390 1.580 1.00 . A A . 24 LEU HD21 1 1 7 3883 1 1 24 LEU HD22 H -1.937 -2.565 2.922 1.00 . A A . 24 LEU HD22 1 1 7 3884 1 1 24 LEU HD23 H -3.655 -2.236 2.593 1.00 . A A . 24 LEU HD23 1 1 7 3885 1 1 24 LEU HG H -1.294 -1.516 0.793 1.00 . A A . 24 LEU HG 1 1 7 3886 1 1 24 LEU N N -3.726 -0.018 -2.024 1.00 . A A . 24 LEU N 1 1 7 3887 1 1 24 LEU O O -0.675 -1.697 -1.787 1.00 . A A . 24 LEU O 1 1 7 3888 1 1 25 ALA C C -0.784 -2.744 -4.535 1.00 . A A . 25 ALA C 1 1 7 3889 1 1 25 ALA CA C -1.885 -3.358 -3.672 1.00 . A A . 25 ALA CA 1 1 7 3890 1 1 25 ALA CB C -2.927 -4.057 -4.546 1.00 . A A . 25 ALA CB 1 1 7 3891 1 1 25 ALA H H -3.533 -2.196 -2.991 1.00 . A A . 25 ALA H 1 1 7 3892 1 1 25 ALA HA H -1.438 -4.096 -3.005 1.00 . A A . 25 ALA HA 1 1 7 3893 1 1 25 ALA HB1 H -3.718 -4.465 -3.916 1.00 . A A . 25 ALA HB1 1 1 7 3894 1 1 25 ALA HB2 H -3.356 -3.343 -5.248 1.00 . A A . 25 ALA HB2 1 1 7 3895 1 1 25 ALA HB3 H -2.453 -4.867 -5.100 1.00 . A A . 25 ALA HB3 1 1 7 3896 1 1 25 ALA N N -2.537 -2.334 -2.868 1.00 . A A . 25 ALA N 1 1 7 3897 1 1 25 ALA O O 0.375 -3.137 -4.427 1.00 . A A . 25 ALA O 1 1 7 3898 1 1 26 VAL C C 0.918 -0.457 -5.444 1.00 . A A . 26 VAL C 1 1 7 3899 1 1 26 VAL CA C -0.175 -1.133 -6.275 1.00 . A A . 26 VAL CA 1 1 7 3900 1 1 26 VAL CB C -0.883 -0.118 -7.192 1.00 . A A . 26 VAL CB 1 1 7 3901 1 1 26 VAL CG1 C -1.896 -0.845 -8.080 1.00 . A A . 26 VAL CG1 1 1 7 3902 1 1 26 VAL CG2 C -1.610 0.949 -6.361 1.00 . A A . 26 VAL CG2 1 1 7 3903 1 1 26 VAL H H -2.112 -1.490 -5.442 1.00 . A A . 26 VAL H 1 1 7 3904 1 1 26 VAL HA H 0.289 -1.898 -6.900 1.00 . A A . 26 VAL HA 1 1 7 3905 1 1 26 VAL HB H -0.140 0.370 -7.825 1.00 . A A . 26 VAL HB 1 1 7 3906 1 1 26 VAL HG11 H -1.393 -1.642 -8.628 1.00 . A A . 26 VAL HG11 1 1 7 3907 1 1 26 VAL HG12 H -2.687 -1.272 -7.463 1.00 . A A . 26 VAL HG12 1 1 7 3908 1 1 26 VAL HG13 H -2.331 -0.140 -8.788 1.00 . A A . 26 VAL HG13 1 1 7 3909 1 1 26 VAL HG21 H -2.315 0.469 -5.688 1.00 . A A . 26 VAL HG21 1 1 7 3910 1 1 26 VAL HG22 H -0.887 1.523 -5.783 1.00 . A A . 26 VAL HG22 1 1 7 3911 1 1 26 VAL HG23 H -2.150 1.620 -7.029 1.00 . A A . 26 VAL HG23 1 1 7 3912 1 1 26 VAL N N -1.144 -1.781 -5.393 1.00 . A A . 26 VAL N 1 1 7 3913 1 1 26 VAL O O 2.089 -0.471 -5.824 1.00 . A A . 26 VAL O 1 1 7 3914 1 1 27 HIS C C 2.468 -0.198 -2.861 1.00 . A A . 27 HIS C 1 1 7 3915 1 1 27 HIS CA C 1.462 0.807 -3.426 1.00 . A A . 27 HIS CA 1 1 7 3916 1 1 27 HIS CB C 0.658 1.466 -2.311 1.00 . A A . 27 HIS CB 1 1 7 3917 1 1 27 HIS CD2 C 1.783 1.935 -0.015 1.00 . A A . 27 HIS CD2 1 1 7 3918 1 1 27 HIS CE1 C 2.841 3.721 -0.482 1.00 . A A . 27 HIS CE1 1 1 7 3919 1 1 27 HIS CG C 1.510 2.191 -1.320 1.00 . A A . 27 HIS CG 1 1 7 3920 1 1 27 HIS H H -0.446 0.111 -4.045 1.00 . A A . 27 HIS H 1 1 7 3921 1 1 27 HIS HA H 1.996 1.575 -3.986 1.00 . A A . 27 HIS HA 1 1 7 3922 1 1 27 HIS HB2 H -0.044 2.174 -2.752 1.00 . A A . 27 HIS HB2 1 1 7 3923 1 1 27 HIS HB3 H 0.095 0.692 -1.781 1.00 . A A . 27 HIS HB3 1 1 7 3924 1 1 27 HIS HD1 H 2.230 3.838 -2.503 1.00 . A A . 27 HIS HD1 1 1 7 3925 1 1 27 HIS HD2 H 1.388 1.091 0.515 1.00 . A A . 27 HIS HD2 1 1 7 3926 1 1 27 HIS HE1 H 3.464 4.600 -0.409 1.00 . A A . 27 HIS HE1 1 1 7 3927 1 1 27 HIS N N 0.532 0.131 -4.310 1.00 . A A . 27 HIS N 1 1 7 3928 1 1 27 HIS ND1 N 2.206 3.357 -1.615 1.00 . A A . 27 HIS ND1 1 1 7 3929 1 1 27 HIS NE2 N 2.620 2.891 0.540 1.00 . A A . 27 HIS NE2 1 1 7 3930 1 1 27 HIS O O 3.668 0.068 -2.833 1.00 . A A . 27 HIS O 1 1 7 3931 1 1 28 LYS C C 3.734 -2.944 -2.959 1.00 . A A . 28 LYS C 1 1 7 3932 1 1 28 LYS CA C 2.817 -2.404 -1.869 1.00 . A A . 28 LYS CA 1 1 7 3933 1 1 28 LYS CB C 1.942 -3.521 -1.295 1.00 . A A . 28 LYS CB 1 1 7 3934 1 1 28 LYS CD C 0.587 -4.232 0.711 1.00 . A A . 28 LYS CD 1 1 7 3935 1 1 28 LYS CE C -0.616 -4.589 -0.173 1.00 . A A . 28 LYS CE 1 1 7 3936 1 1 28 LYS CG C 1.411 -3.101 0.080 1.00 . A A . 28 LYS CG 1 1 7 3937 1 1 28 LYS H H 0.976 -1.516 -2.455 1.00 . A A . 28 LYS H 1 1 7 3938 1 1 28 LYS HA H 3.426 -1.988 -1.069 1.00 . A A . 28 LYS HA 1 1 7 3939 1 1 28 LYS HB2 H 1.110 -3.710 -1.971 1.00 . A A . 28 LYS HB2 1 1 7 3940 1 1 28 LYS HB3 H 2.537 -4.430 -1.190 1.00 . A A . 28 LYS HB3 1 1 7 3941 1 1 28 LYS HD2 H 1.219 -5.110 0.837 1.00 . A A . 28 LYS HD2 1 1 7 3942 1 1 28 LYS HD3 H 0.229 -3.901 1.685 1.00 . A A . 28 LYS HD3 1 1 7 3943 1 1 28 LYS HE2 H -1.174 -3.685 -0.399 1.00 . A A . 28 LYS HE2 1 1 7 3944 1 1 28 LYS HE3 H -0.265 -5.036 -1.102 1.00 . A A . 28 LYS HE3 1 1 7 3945 1 1 28 LYS HG2 H 2.254 -2.870 0.732 1.00 . A A . 28 LYS HG2 1 1 7 3946 1 1 28 LYS HG3 H 0.791 -2.214 -0.024 1.00 . A A . 28 LYS HG3 1 1 7 3947 1 1 28 LYS HZ1 H -1.659 -5.250 1.458 1.00 . A A . 28 LYS HZ1 1 1 7 3948 1 1 28 LYS HZ2 H -2.404 -5.573 0.020 1.00 . A A . 28 LYS HZ2 1 1 7 3949 1 1 28 LYS HZ3 H -1.093 -6.464 0.497 1.00 . A A . 28 LYS HZ3 1 1 7 3950 1 1 28 LYS N N 1.972 -1.354 -2.413 1.00 . A A . 28 LYS N 1 1 7 3951 1 1 28 LYS NZ N -1.510 -5.545 0.505 1.00 . A A . 28 LYS NZ 1 1 7 3952 1 1 28 LYS O O 4.903 -3.205 -2.703 1.00 . A A . 28 LYS O 1 1 7 3953 1 1 29 HIS C C 5.117 -2.605 -5.603 1.00 . A A . 29 HIS C 1 1 7 3954 1 1 29 HIS CA C 3.999 -3.599 -5.292 1.00 . A A . 29 HIS CA 1 1 7 3955 1 1 29 HIS CB C 3.100 -3.813 -6.513 1.00 . A A . 29 HIS CB 1 1 7 3956 1 1 29 HIS CD2 C 3.572 -4.437 -9.030 1.00 . A A . 29 HIS CD2 1 1 7 3957 1 1 29 HIS CE1 C 5.402 -5.503 -8.788 1.00 . A A . 29 HIS CE1 1 1 7 3958 1 1 29 HIS CG C 3.838 -4.415 -7.685 1.00 . A A . 29 HIS CG 1 1 7 3959 1 1 29 HIS H H 2.233 -2.884 -4.339 1.00 . A A . 29 HIS H 1 1 7 3960 1 1 29 HIS HA H 4.444 -4.554 -5.010 1.00 . A A . 29 HIS HA 1 1 7 3961 1 1 29 HIS HB2 H 2.283 -4.478 -6.235 1.00 . A A . 29 HIS HB2 1 1 7 3962 1 1 29 HIS HB3 H 2.684 -2.853 -6.817 1.00 . A A . 29 HIS HB3 1 1 7 3963 1 1 29 HIS HD1 H 5.538 -5.297 -6.689 1.00 . A A . 29 HIS HD1 1 1 7 3964 1 1 29 HIS HD2 H 2.705 -3.979 -9.484 1.00 . A A . 29 HIS HD2 1 1 7 3965 1 1 29 HIS HE1 H 6.300 -6.069 -8.990 1.00 . A A . 29 HIS HE1 1 1 7 3966 1 1 29 HIS N N 3.207 -3.108 -4.177 1.00 . A A . 29 HIS N 1 1 7 3967 1 1 29 HIS ND1 N 5.037 -5.115 -7.550 1.00 . A A . 29 HIS ND1 1 1 7 3968 1 1 29 HIS NE2 N 4.550 -5.120 -9.739 1.00 . A A . 29 HIS NE2 1 1 7 3969 1 1 29 HIS O O 6.219 -3.011 -5.951 1.00 . A A . 29 HIS O 1 1 7 3970 1 1 30 LYS C C 7.029 -0.485 -4.792 1.00 . A A . 30 LYS C 1 1 7 3971 1 1 30 LYS CA C 5.834 -0.270 -5.719 1.00 . A A . 30 LYS CA 1 1 7 3972 1 1 30 LYS CB C 5.214 1.115 -5.508 1.00 . A A . 30 LYS CB 1 1 7 3973 1 1 30 LYS CD C 5.509 3.571 -5.885 1.00 . A A . 30 LYS CD 1 1 7 3974 1 1 30 LYS CE C 6.348 4.640 -6.593 1.00 . A A . 30 LYS CE 1 1 7 3975 1 1 30 LYS CG C 6.132 2.188 -6.100 1.00 . A A . 30 LYS CG 1 1 7 3976 1 1 30 LYS H H 3.906 -1.013 -5.194 1.00 . A A . 30 LYS H 1 1 7 3977 1 1 30 LYS HA H 6.172 -0.354 -6.750 1.00 . A A . 30 LYS HA 1 1 7 3978 1 1 30 LYS HB2 H 4.243 1.157 -6.004 1.00 . A A . 30 LYS HB2 1 1 7 3979 1 1 30 LYS HB3 H 5.083 1.298 -4.443 1.00 . A A . 30 LYS HB3 1 1 7 3980 1 1 30 LYS HD2 H 4.498 3.579 -6.294 1.00 . A A . 30 LYS HD2 1 1 7 3981 1 1 30 LYS HD3 H 5.468 3.788 -4.816 1.00 . A A . 30 LYS HD3 1 1 7 3982 1 1 30 LYS HE2 H 6.424 4.394 -7.653 1.00 . A A . 30 LYS HE2 1 1 7 3983 1 1 30 LYS HE3 H 5.855 5.608 -6.487 1.00 . A A . 30 LYS HE3 1 1 7 3984 1 1 30 LYS HG2 H 7.104 2.143 -5.610 1.00 . A A . 30 LYS HG2 1 1 7 3985 1 1 30 LYS HG3 H 6.257 2.008 -7.169 1.00 . A A . 30 LYS HG3 1 1 7 3986 1 1 30 LYS HZ1 H 7.640 4.926 -5.030 1.00 . A A . 30 LYS HZ1 1 1 7 3987 1 1 30 LYS HZ2 H 8.186 3.851 -6.156 1.00 . A A . 30 LYS HZ2 1 1 7 3988 1 1 30 LYS HZ3 H 8.217 5.468 -6.478 1.00 . A A . 30 LYS HZ3 1 1 7 3989 1 1 30 LYS N N 4.834 -1.300 -5.473 1.00 . A A . 30 LYS N 1 1 7 3990 1 1 30 LYS NZ N 7.704 4.727 -6.019 1.00 . A A . 30 LYS NZ 1 1 7 3991 1 1 30 LYS O O 8.170 -0.260 -5.191 1.00 . A A . 30 LYS O 1 1 7 3992 1 1 31 HIS C C 8.486 -2.542 -3.008 1.00 . A A . 31 HIS C 1 1 7 3993 1 1 31 HIS CA C 7.824 -1.229 -2.606 1.00 . A A . 31 HIS CA 1 1 7 3994 1 1 31 HIS CB C 7.239 -1.339 -1.195 1.00 . A A . 31 HIS CB 1 1 7 3995 1 1 31 HIS CD2 C 5.390 0.237 -0.159 1.00 . A A . 31 HIS CD2 1 1 7 3996 1 1 31 HIS CE1 C 6.449 2.085 -0.248 1.00 . A A . 31 HIS CE1 1 1 7 3997 1 1 31 HIS CG C 6.614 -0.055 -0.714 1.00 . A A . 31 HIS CG 1 1 7 3998 1 1 31 HIS H H 5.809 -1.083 -3.271 1.00 . A A . 31 HIS H 1 1 7 3999 1 1 31 HIS HA H 8.567 -0.430 -2.627 1.00 . A A . 31 HIS HA 1 1 7 4000 1 1 31 HIS HB2 H 6.485 -2.122 -1.190 1.00 . A A . 31 HIS HB2 1 1 7 4001 1 1 31 HIS HB3 H 8.036 -1.619 -0.506 1.00 . A A . 31 HIS HB3 1 1 7 4002 1 1 31 HIS HD1 H 8.217 1.322 -1.113 1.00 . A A . 31 HIS HD1 1 1 7 4003 1 1 31 HIS HD2 H 4.609 -0.493 0.025 1.00 . A A . 31 HIS HD2 1 1 7 4004 1 1 31 HIS HE1 H 6.707 3.129 -0.157 1.00 . A A . 31 HIS HE1 1 1 7 4005 1 1 31 HIS N N 6.767 -0.932 -3.556 1.00 . A A . 31 HIS N 1 1 7 4006 1 1 31 HIS ND1 N 7.283 1.161 -0.761 1.00 . A A . 31 HIS ND1 1 1 7 4007 1 1 31 HIS NE2 N 5.275 1.585 0.142 1.00 . A A . 31 HIS NE2 1 1 7 4008 1 1 31 HIS O O 9.688 -2.587 -3.256 1.00 . A A . 31 HIS O 1 1 7 4009 1 1 32 GLU C C 8.135 -5.052 -4.970 1.00 . A A . 32 GLU C 1 1 7 4010 1 1 32 GLU CA C 8.158 -4.929 -3.447 1.00 . A A . 32 GLU CA 1 1 7 4011 1 1 32 GLU CB C 7.267 -5.988 -2.778 1.00 . A A . 32 GLU CB 1 1 7 4012 1 1 32 GLU CD C 9.202 -7.357 -1.910 1.00 . A A . 32 GLU CD 1 1 7 4013 1 1 32 GLU CG C 7.961 -7.357 -2.796 1.00 . A A . 32 GLU CG 1 1 7 4014 1 1 32 GLU H H 6.700 -3.501 -2.866 1.00 . A A . 32 GLU H 1 1 7 4015 1 1 32 GLU HA H 9.182 -5.050 -3.096 1.00 . A A . 32 GLU HA 1 1 7 4016 1 1 32 GLU HB2 H 7.078 -5.698 -1.744 1.00 . A A . 32 GLU HB2 1 1 7 4017 1 1 32 GLU HB3 H 6.319 -6.055 -3.312 1.00 . A A . 32 GLU HB3 1 1 7 4018 1 1 32 GLU HG2 H 7.266 -8.113 -2.431 1.00 . A A . 32 GLU HG2 1 1 7 4019 1 1 32 GLU HG3 H 8.251 -7.604 -3.817 1.00 . A A . 32 GLU HG3 1 1 7 4020 1 1 32 GLU N N 7.682 -3.609 -3.076 1.00 . A A . 32 GLU N 1 1 7 4021 1 1 32 GLU O O 7.492 -5.946 -5.526 1.00 . A A . 32 GLU O 1 1 7 4022 1 1 32 GLU OE1 O 9.024 -7.182 -0.684 1.00 . A A . 32 GLU OE1 1 1 7 4023 1 1 32 GLU OE2 O 10.303 -7.528 -2.476 1.00 . A A . 32 GLU OE2 1 1 7 4024 1 1 33 MET C C 9.974 -5.123 -7.555 1.00 . A A . 33 MET C 1 1 7 4025 1 1 33 MET CA C 8.901 -4.139 -7.096 1.00 . A A . 33 MET CA 1 1 7 4026 1 1 33 MET CB C 9.195 -2.716 -7.597 1.00 . A A . 33 MET CB 1 1 7 4027 1 1 33 MET CE C 6.824 -2.646 -11.047 1.00 . A A . 33 MET CE 1 1 7 4028 1 1 33 MET CG C 8.179 -2.321 -8.672 1.00 . A A . 33 MET CG 1 1 7 4029 1 1 33 MET H H 9.345 -3.426 -5.137 1.00 . A A . 33 MET H 1 1 7 4030 1 1 33 MET HA H 7.935 -4.458 -7.490 1.00 . A A . 33 MET HA 1 1 7 4031 1 1 33 MET HB2 H 9.125 -2.016 -6.765 1.00 . A A . 33 MET HB2 1 1 7 4032 1 1 33 MET HB3 H 10.197 -2.677 -8.017 1.00 . A A . 33 MET HB3 1 1 7 4033 1 1 33 MET HE1 H 5.913 -2.665 -10.448 1.00 . A A . 33 MET HE1 1 1 7 4034 1 1 33 MET HE2 H 7.083 -1.615 -11.282 1.00 . A A . 33 MET HE2 1 1 7 4035 1 1 33 MET HE3 H 6.661 -3.200 -11.972 1.00 . A A . 33 MET HE3 1 1 7 4036 1 1 33 MET HG2 H 7.184 -2.328 -8.230 1.00 . A A . 33 MET HG2 1 1 7 4037 1 1 33 MET HG3 H 8.404 -1.308 -9.004 1.00 . A A . 33 MET HG3 1 1 7 4038 1 1 33 MET N N 8.838 -4.142 -5.646 1.00 . A A . 33 MET N 1 1 7 4039 1 1 33 MET O O 11.160 -4.917 -7.302 1.00 . A A . 33 MET O 1 1 7 4040 1 1 33 MET SD S 8.174 -3.412 -10.118 1.00 . A A . 33 MET SD 1 1 7 4041 1 1 34 THR C C 11.447 -6.624 -9.719 1.00 . A A . 34 THR C 1 1 7 4042 1 1 34 THR CA C 10.460 -7.223 -8.716 1.00 . A A . 34 THR CA 1 1 7 4043 1 1 34 THR CB C 9.646 -8.352 -9.359 1.00 . A A . 34 THR CB 1 1 7 4044 1 1 34 THR CG2 C 8.874 -9.113 -8.279 1.00 . A A . 34 THR CG2 1 1 7 4045 1 1 34 THR H H 8.562 -6.314 -8.412 1.00 . A A . 34 THR H 1 1 7 4046 1 1 34 THR HA H 11.019 -7.628 -7.871 1.00 . A A . 34 THR HA 1 1 7 4047 1 1 34 THR HB H 10.320 -9.038 -9.873 1.00 . A A . 34 THR HB 1 1 7 4048 1 1 34 THR HG1 H 9.218 -7.517 -11.065 1.00 . A A . 34 THR HG1 1 1 7 4049 1 1 34 THR HG21 H 9.574 -9.520 -7.549 1.00 . A A . 34 THR HG21 1 1 7 4050 1 1 34 THR HG22 H 8.181 -8.437 -7.779 1.00 . A A . 34 THR HG22 1 1 7 4051 1 1 34 THR HG23 H 8.316 -9.929 -8.739 1.00 . A A . 34 THR HG23 1 1 7 4052 1 1 34 THR N N 9.549 -6.197 -8.229 1.00 . A A . 34 THR N 1 1 7 4053 1 1 34 THR O O 12.612 -7.014 -9.750 1.00 . A A . 34 THR O 1 1 7 4054 1 1 34 THR OG1 O 8.731 -7.806 -10.289 1.00 . A A . 34 THR OG1 1 1 7 4055 1 1 35 LEU C C 12.966 -4.298 -10.846 1.00 . A A . 35 LEU C 1 1 7 4056 1 1 35 LEU CA C 11.808 -5.026 -11.539 1.00 . A A . 35 LEU CA 1 1 7 4057 1 1 35 LEU CB C 10.939 -4.043 -12.352 1.00 . A A . 35 LEU CB 1 1 7 4058 1 1 35 LEU CD1 C 12.909 -3.661 -13.896 1.00 . A A . 35 LEU CD1 1 1 7 4059 1 1 35 LEU CD2 C 11.083 -5.242 -14.571 1.00 . A A . 35 LEU CD2 1 1 7 4060 1 1 35 LEU CG C 11.406 -3.943 -13.820 1.00 . A A . 35 LEU CG 1 1 7 4061 1 1 35 LEU H H 10.007 -5.396 -10.469 1.00 . A A . 35 LEU H 1 1 7 4062 1 1 35 LEU HA H 12.214 -5.786 -12.202 1.00 . A A . 35 LEU HA 1 1 7 4063 1 1 35 LEU HB2 H 9.903 -4.386 -12.337 1.00 . A A . 35 LEU HB2 1 1 7 4064 1 1 35 LEU HB3 H 10.989 -3.055 -11.894 1.00 . A A . 35 LEU HB3 1 1 7 4065 1 1 35 LEU HD11 H 13.162 -2.844 -13.218 1.00 . A A . 35 LEU HD11 1 1 7 4066 1 1 35 LEU HD12 H 13.468 -4.553 -13.617 1.00 . A A . 35 LEU HD12 1 1 7 4067 1 1 35 LEU HD13 H 13.173 -3.377 -14.915 1.00 . A A . 35 LEU HD13 1 1 7 4068 1 1 35 LEU HD21 H 10.042 -5.513 -14.400 1.00 . A A . 35 LEU HD21 1 1 7 4069 1 1 35 LEU HD22 H 11.246 -5.091 -15.639 1.00 . A A . 35 LEU HD22 1 1 7 4070 1 1 35 LEU HD23 H 11.729 -6.045 -14.221 1.00 . A A . 35 LEU HD23 1 1 7 4071 1 1 35 LEU HG H 10.872 -3.122 -14.299 1.00 . A A . 35 LEU HG 1 1 7 4072 1 1 35 LEU N N 10.973 -5.676 -10.538 1.00 . A A . 35 LEU N 1 1 7 4073 1 1 35 LEU O O 14.125 -4.496 -11.200 1.00 . A A . 35 LEU O 1 1 7 4074 1 1 36 LYS C C 13.098 -2.314 -7.753 1.00 . A A . 36 LYS C 1 1 7 4075 1 1 36 LYS CA C 13.649 -2.704 -9.123 1.00 . A A . 36 LYS CA 1 1 7 4076 1 1 36 LYS CB C 14.032 -1.457 -9.925 1.00 . A A . 36 LYS CB 1 1 7 4077 1 1 36 LYS CD C 15.282 0.729 -9.724 1.00 . A A . 36 LYS CD 1 1 7 4078 1 1 36 LYS CE C 13.988 1.527 -9.479 1.00 . A A . 36 LYS CE 1 1 7 4079 1 1 36 LYS CG C 15.161 -0.711 -9.201 1.00 . A A . 36 LYS CG 1 1 7 4080 1 1 36 LYS H H 11.674 -3.333 -9.601 1.00 . A A . 36 LYS H 1 1 7 4081 1 1 36 LYS HA H 14.534 -3.326 -8.987 1.00 . A A . 36 LYS HA 1 1 7 4082 1 1 36 LYS HB2 H 14.372 -1.753 -10.917 1.00 . A A . 36 LYS HB2 1 1 7 4083 1 1 36 LYS HB3 H 13.161 -0.813 -10.019 1.00 . A A . 36 LYS HB3 1 1 7 4084 1 1 36 LYS HD2 H 16.108 1.222 -9.209 1.00 . A A . 36 LYS HD2 1 1 7 4085 1 1 36 LYS HD3 H 15.494 0.705 -10.794 1.00 . A A . 36 LYS HD3 1 1 7 4086 1 1 36 LYS HE2 H 14.211 2.591 -9.561 1.00 . A A . 36 LYS HE2 1 1 7 4087 1 1 36 LYS HE3 H 13.253 1.264 -10.239 1.00 . A A . 36 LYS HE3 1 1 7 4088 1 1 36 LYS HG2 H 14.965 -0.691 -8.132 1.00 . A A . 36 LYS HG2 1 1 7 4089 1 1 36 LYS HG3 H 16.103 -1.233 -9.377 1.00 . A A . 36 LYS HG3 1 1 7 4090 1 1 36 LYS HZ1 H 14.113 1.464 -7.429 1.00 . A A . 36 LYS HZ1 1 1 7 4091 1 1 36 LYS HZ2 H 12.611 1.846 -7.997 1.00 . A A . 36 LYS HZ2 1 1 7 4092 1 1 36 LYS HZ3 H 13.143 0.287 -8.075 1.00 . A A . 36 LYS HZ3 1 1 7 4093 1 1 36 LYS N N 12.643 -3.456 -9.855 1.00 . A A . 36 LYS N 1 1 7 4094 1 1 36 LYS NZ N 13.419 1.260 -8.142 1.00 . A A . 36 LYS NZ 1 1 7 4095 1 1 36 LYS O O 12.335 -1.353 -7.640 1.00 . A A . 36 LYS O 1 1 7 4096 1 1 37 PHE C C 13.490 -1.412 -4.902 1.00 . A A . 37 PHE C 1 1 7 4097 1 1 37 PHE CA C 13.043 -2.805 -5.355 1.00 . A A . 37 PHE CA 1 1 7 4098 1 1 37 PHE CB C 13.606 -3.892 -4.431 1.00 . A A . 37 PHE CB 1 1 7 4099 1 1 37 PHE CD1 C 13.742 -2.925 -2.090 1.00 . A A . 37 PHE CD1 1 1 7 4100 1 1 37 PHE CD2 C 12.014 -4.569 -2.584 1.00 . A A . 37 PHE CD2 1 1 7 4101 1 1 37 PHE CE1 C 13.279 -2.836 -0.767 1.00 . A A . 37 PHE CE1 1 1 7 4102 1 1 37 PHE CE2 C 11.552 -4.478 -1.260 1.00 . A A . 37 PHE CE2 1 1 7 4103 1 1 37 PHE CG C 13.109 -3.791 -3.002 1.00 . A A . 37 PHE CG 1 1 7 4104 1 1 37 PHE CZ C 12.183 -3.612 -0.352 1.00 . A A . 37 PHE CZ 1 1 7 4105 1 1 37 PHE H H 14.128 -3.826 -6.872 1.00 . A A . 37 PHE H 1 1 7 4106 1 1 37 PHE HA H 11.952 -2.851 -5.331 1.00 . A A . 37 PHE HA 1 1 7 4107 1 1 37 PHE HB2 H 13.323 -4.867 -4.828 1.00 . A A . 37 PHE HB2 1 1 7 4108 1 1 37 PHE HB3 H 14.694 -3.822 -4.427 1.00 . A A . 37 PHE HB3 1 1 7 4109 1 1 37 PHE HD1 H 14.585 -2.330 -2.407 1.00 . A A . 37 PHE HD1 1 1 7 4110 1 1 37 PHE HD2 H 11.527 -5.237 -3.280 1.00 . A A . 37 PHE HD2 1 1 7 4111 1 1 37 PHE HE1 H 13.765 -2.171 -0.069 1.00 . A A . 37 PHE HE1 1 1 7 4112 1 1 37 PHE HE2 H 10.711 -5.076 -0.940 1.00 . A A . 37 PHE HE2 1 1 7 4113 1 1 37 PHE HZ H 11.828 -3.543 0.666 1.00 . A A . 37 PHE HZ 1 1 7 4114 1 1 37 PHE N N 13.494 -3.058 -6.716 1.00 . A A . 37 PHE N 1 1 7 4115 1 1 37 PHE O O 12.657 -0.569 -4.576 1.00 . A A . 37 PHE O 1 1 7 4116 1 1 38 GLY C C 15.420 1.057 -5.644 1.00 . A A . 38 GLY C 1 1 7 4117 1 1 38 GLY CA C 15.369 0.095 -4.464 1.00 . A A . 38 GLY CA 1 1 7 4118 1 1 38 GLY H H 15.446 -1.908 -5.167 1.00 . A A . 38 GLY H 1 1 7 4119 1 1 38 GLY HA2 H 14.751 0.524 -3.673 1.00 . A A . 38 GLY HA2 1 1 7 4120 1 1 38 GLY HA3 H 16.379 -0.062 -4.085 1.00 . A A . 38 GLY HA3 1 1 7 4121 1 1 38 GLY N N 14.809 -1.180 -4.883 1.00 . A A . 38 GLY N 1 1 7 4122 1 1 38 GLY O O 14.471 1.864 -5.747 1.00 . A A . 38 GLY O 1 1 7 4123 1 1 38 GLY OXT O 16.201 0.756 -6.570 1.00 . A A . 38 GLY OXT 1 1 8 4124 1 1 1 MET C C -14.793 4.977 13.733 1.00 . A A . 1 MET C 1 1 8 4125 1 1 1 MET CA C -14.116 4.917 15.100 1.00 . A A . 1 MET CA 1 1 8 4126 1 1 1 MET CB C -15.148 4.651 16.207 1.00 . A A . 1 MET CB 1 1 8 4127 1 1 1 MET CE C -18.183 4.013 17.194 1.00 . A A . 1 MET CE 1 1 8 4128 1 1 1 MET CG C -16.253 5.718 16.183 1.00 . A A . 1 MET CG 1 1 8 4129 1 1 1 MET H1 H -14.010 6.954 15.250 1.00 . A A . 1 MET H1 1 1 8 4130 1 1 1 MET H2 H -13.012 6.158 16.297 1.00 . A A . 1 MET H2 1 1 8 4131 1 1 1 MET H3 H -12.624 6.255 14.696 1.00 . A A . 1 MET H3 1 1 8 4132 1 1 1 MET HA H -13.398 4.095 15.095 1.00 . A A . 1 MET HA 1 1 8 4133 1 1 1 MET HB2 H -15.592 3.668 16.054 1.00 . A A . 1 MET HB2 1 1 8 4134 1 1 1 MET HB3 H -14.648 4.672 17.177 1.00 . A A . 1 MET HB3 1 1 8 4135 1 1 1 MET HE1 H -18.584 4.034 16.182 1.00 . A A . 1 MET HE1 1 1 8 4136 1 1 1 MET HE2 H -17.440 3.221 17.275 1.00 . A A . 1 MET HE2 1 1 8 4137 1 1 1 MET HE3 H -18.990 3.825 17.901 1.00 . A A . 1 MET HE3 1 1 8 4138 1 1 1 MET HG2 H -15.789 6.703 16.205 1.00 . A A . 1 MET HG2 1 1 8 4139 1 1 1 MET HG3 H -16.816 5.619 15.255 1.00 . A A . 1 MET HG3 1 1 8 4140 1 1 1 MET N N -13.382 6.169 15.358 1.00 . A A . 1 MET N 1 1 8 4141 1 1 1 MET O O -14.936 6.057 13.166 1.00 . A A . 1 MET O 1 1 8 4142 1 1 1 MET SD S -17.413 5.609 17.572 1.00 . A A . 1 MET SD 1 1 8 4143 1 1 2 SER C C -15.007 4.394 10.842 1.00 . A A . 2 SER C 1 1 8 4144 1 1 2 SER CA C -15.865 3.718 11.914 1.00 . A A . 2 SER CA 1 1 8 4145 1 1 2 SER CB C -17.257 4.360 11.998 1.00 . A A . 2 SER CB 1 1 8 4146 1 1 2 SER H H -15.061 2.956 13.732 1.00 . A A . 2 SER H 1 1 8 4147 1 1 2 SER HA H -15.981 2.664 11.656 1.00 . A A . 2 SER HA 1 1 8 4148 1 1 2 SER HB2 H -17.809 3.923 12.831 1.00 . A A . 2 SER HB2 1 1 8 4149 1 1 2 SER HB3 H -17.158 5.434 12.154 1.00 . A A . 2 SER HB3 1 1 8 4150 1 1 2 SER HG H -17.485 4.555 10.077 1.00 . A A . 2 SER HG 1 1 8 4151 1 1 2 SER N N -15.207 3.811 13.214 1.00 . A A . 2 SER N 1 1 8 4152 1 1 2 SER O O -15.503 5.211 10.067 1.00 . A A . 2 SER O 1 1 8 4153 1 1 2 SER OG O -17.960 4.123 10.797 1.00 . A A . 2 SER OG 1 1 8 4154 1 1 3 ASP C C -12.895 3.881 8.503 1.00 . A A . 3 ASP C 1 1 8 4155 1 1 3 ASP CA C -12.776 4.615 9.846 1.00 . A A . 3 ASP CA 1 1 8 4156 1 1 3 ASP CB C -11.359 4.500 10.429 1.00 . A A . 3 ASP CB 1 1 8 4157 1 1 3 ASP CG C -10.322 5.207 9.560 1.00 . A A . 3 ASP CG 1 1 8 4158 1 1 3 ASP H H -13.364 3.365 11.461 1.00 . A A . 3 ASP H 1 1 8 4159 1 1 3 ASP HA H -13.015 5.669 9.697 1.00 . A A . 3 ASP HA 1 1 8 4160 1 1 3 ASP HB2 H -11.347 4.947 11.422 1.00 . A A . 3 ASP HB2 1 1 8 4161 1 1 3 ASP HB3 H -11.092 3.446 10.512 1.00 . A A . 3 ASP HB3 1 1 8 4162 1 1 3 ASP N N -13.714 4.046 10.805 1.00 . A A . 3 ASP N 1 1 8 4163 1 1 3 ASP O O -11.895 3.413 7.956 1.00 . A A . 3 ASP O 1 1 8 4164 1 1 3 ASP OD1 O -10.733 5.865 8.582 1.00 . A A . 3 ASP OD1 1 1 8 4165 1 1 3 ASP OD2 O -9.124 5.073 9.888 1.00 . A A . 3 ASP OD2 1 1 8 4166 1 1 4 ASP C C -13.659 1.786 6.636 1.00 . A A . 4 ASP C 1 1 8 4167 1 1 4 ASP CA C -14.420 3.113 6.717 1.00 . A A . 4 ASP CA 1 1 8 4168 1 1 4 ASP CB C -14.061 4.045 5.547 1.00 . A A . 4 ASP CB 1 1 8 4169 1 1 4 ASP CG C -14.974 5.263 5.522 1.00 . A A . 4 ASP CG 1 1 8 4170 1 1 4 ASP H H -14.909 4.200 8.481 1.00 . A A . 4 ASP H 1 1 8 4171 1 1 4 ASP HA H -15.490 2.900 6.674 1.00 . A A . 4 ASP HA 1 1 8 4172 1 1 4 ASP HB2 H -13.027 4.376 5.652 1.00 . A A . 4 ASP HB2 1 1 8 4173 1 1 4 ASP HB3 H -14.172 3.503 4.608 1.00 . A A . 4 ASP HB3 1 1 8 4174 1 1 4 ASP N N -14.132 3.787 7.982 1.00 . A A . 4 ASP N 1 1 8 4175 1 1 4 ASP O O -13.989 0.838 7.349 1.00 . A A . 4 ASP O 1 1 8 4176 1 1 4 ASP OD1 O -16.169 5.069 5.210 1.00 . A A . 4 ASP OD1 1 1 8 4177 1 1 4 ASP OD2 O -14.460 6.364 5.815 1.00 . A A . 4 ASP OD2 1 1 8 4178 1 1 5 LYS C C -10.346 0.963 5.621 1.00 . A A . 5 LYS C 1 1 8 4179 1 1 5 LYS CA C -11.821 0.540 5.591 1.00 . A A . 5 LYS CA 1 1 8 4180 1 1 5 LYS CB C -12.178 -0.125 4.257 1.00 . A A . 5 LYS CB 1 1 8 4181 1 1 5 LYS CD C -13.959 -1.411 3.023 1.00 . A A . 5 LYS CD 1 1 8 4182 1 1 5 LYS CE C -14.075 -0.484 1.801 1.00 . A A . 5 LYS CE 1 1 8 4183 1 1 5 LYS CG C -13.635 -0.602 4.288 1.00 . A A . 5 LYS CG 1 1 8 4184 1 1 5 LYS H H -12.423 2.536 5.207 1.00 . A A . 5 LYS H 1 1 8 4185 1 1 5 LYS HA H -12.013 -0.165 6.397 1.00 . A A . 5 LYS HA 1 1 8 4186 1 1 5 LYS HB2 H -12.049 0.595 3.452 1.00 . A A . 5 LYS HB2 1 1 8 4187 1 1 5 LYS HB3 H -11.521 -0.978 4.092 1.00 . A A . 5 LYS HB3 1 1 8 4188 1 1 5 LYS HD2 H -13.175 -2.151 2.852 1.00 . A A . 5 LYS HD2 1 1 8 4189 1 1 5 LYS HD3 H -14.910 -1.927 3.168 1.00 . A A . 5 LYS HD3 1 1 8 4190 1 1 5 LYS HE2 H -14.852 -0.867 1.139 1.00 . A A . 5 LYS HE2 1 1 8 4191 1 1 5 LYS HE3 H -14.353 0.518 2.131 1.00 . A A . 5 LYS HE3 1 1 8 4192 1 1 5 LYS HG2 H -13.785 -1.234 5.165 1.00 . A A . 5 LYS HG2 1 1 8 4193 1 1 5 LYS HG3 H -14.302 0.258 4.350 1.00 . A A . 5 LYS HG3 1 1 8 4194 1 1 5 LYS HZ1 H -12.487 -1.348 0.840 1.00 . A A . 5 LYS HZ1 1 1 8 4195 1 1 5 LYS HZ2 H -12.947 0.099 0.190 1.00 . A A . 5 LYS HZ2 1 1 8 4196 1 1 5 LYS HZ3 H -12.107 0.063 1.610 1.00 . A A . 5 LYS HZ3 1 1 8 4197 1 1 5 LYS N N -12.641 1.726 5.767 1.00 . A A . 5 LYS N 1 1 8 4198 1 1 5 LYS NZ N -12.805 -0.415 1.054 1.00 . A A . 5 LYS NZ 1 1 8 4199 1 1 5 LYS O O -9.797 1.347 4.589 1.00 . A A . 5 LYS O 1 1 8 4200 1 1 6 PRO C C -7.369 0.334 6.316 1.00 . A A . 6 PRO C 1 1 8 4201 1 1 6 PRO CA C -8.328 1.330 6.967 1.00 . A A . 6 PRO CA 1 1 8 4202 1 1 6 PRO CB C -8.097 1.408 8.479 1.00 . A A . 6 PRO CB 1 1 8 4203 1 1 6 PRO CD C -10.323 0.463 8.036 1.00 . A A . 6 PRO CD 1 1 8 4204 1 1 6 PRO CG C -9.314 0.756 9.147 1.00 . A A . 6 PRO CG 1 1 8 4205 1 1 6 PRO HA H -8.189 2.315 6.525 1.00 . A A . 6 PRO HA 1 1 8 4206 1 1 6 PRO HB2 H -7.187 0.871 8.751 1.00 . A A . 6 PRO HB2 1 1 8 4207 1 1 6 PRO HB3 H -8.019 2.451 8.789 1.00 . A A . 6 PRO HB3 1 1 8 4208 1 1 6 PRO HD2 H -10.522 -0.608 7.987 1.00 . A A . 6 PRO HD2 1 1 8 4209 1 1 6 PRO HD3 H -11.248 1.009 8.219 1.00 . A A . 6 PRO HD3 1 1 8 4210 1 1 6 PRO HG2 H -9.018 -0.173 9.636 1.00 . A A . 6 PRO HG2 1 1 8 4211 1 1 6 PRO HG3 H -9.749 1.439 9.878 1.00 . A A . 6 PRO HG3 1 1 8 4212 1 1 6 PRO N N -9.705 0.914 6.805 1.00 . A A . 6 PRO N 1 1 8 4213 1 1 6 PRO O O -7.511 -0.875 6.491 1.00 . A A . 6 PRO O 1 1 8 4214 1 1 7 PHE C C -4.016 0.747 5.073 1.00 . A A . 7 PHE C 1 1 8 4215 1 1 7 PHE CA C -5.362 0.045 4.931 1.00 . A A . 7 PHE CA 1 1 8 4216 1 1 7 PHE CB C -5.713 -0.156 3.454 1.00 . A A . 7 PHE CB 1 1 8 4217 1 1 7 PHE CD1 C -6.856 -2.410 3.490 1.00 . A A . 7 PHE CD1 1 1 8 4218 1 1 7 PHE CD2 C -8.127 -0.463 2.772 1.00 . A A . 7 PHE CD2 1 1 8 4219 1 1 7 PHE CE1 C -7.983 -3.221 3.285 1.00 . A A . 7 PHE CE1 1 1 8 4220 1 1 7 PHE CE2 C -9.252 -1.276 2.566 1.00 . A A . 7 PHE CE2 1 1 8 4221 1 1 7 PHE CG C -6.928 -1.029 3.235 1.00 . A A . 7 PHE CG 1 1 8 4222 1 1 7 PHE CZ C -9.182 -2.655 2.823 1.00 . A A . 7 PHE CZ 1 1 8 4223 1 1 7 PHE H H -6.330 1.860 5.459 1.00 . A A . 7 PHE H 1 1 8 4224 1 1 7 PHE HA H -5.308 -0.927 5.421 1.00 . A A . 7 PHE HA 1 1 8 4225 1 1 7 PHE HB2 H -5.893 0.819 2.999 1.00 . A A . 7 PHE HB2 1 1 8 4226 1 1 7 PHE HB3 H -4.865 -0.620 2.955 1.00 . A A . 7 PHE HB3 1 1 8 4227 1 1 7 PHE HD1 H -5.934 -2.846 3.845 1.00 . A A . 7 PHE HD1 1 1 8 4228 1 1 7 PHE HD2 H -8.183 0.598 2.577 1.00 . A A . 7 PHE HD2 1 1 8 4229 1 1 7 PHE HE1 H -7.927 -4.283 3.481 1.00 . A A . 7 PHE HE1 1 1 8 4230 1 1 7 PHE HE2 H -10.171 -0.841 2.210 1.00 . A A . 7 PHE HE2 1 1 8 4231 1 1 7 PHE HZ H -10.048 -3.279 2.663 1.00 . A A . 7 PHE HZ 1 1 8 4232 1 1 7 PHE N N -6.382 0.860 5.576 1.00 . A A . 7 PHE N 1 1 8 4233 1 1 7 PHE O O -3.611 1.495 4.187 1.00 . A A . 7 PHE O 1 1 8 4234 1 1 8 LEU C C -0.921 0.296 5.835 1.00 . A A . 8 LEU C 1 1 8 4235 1 1 8 LEU CA C -2.038 1.132 6.461 1.00 . A A . 8 LEU CA 1 1 8 4236 1 1 8 LEU CB C -1.849 1.252 7.980 1.00 . A A . 8 LEU CB 1 1 8 4237 1 1 8 LEU CD1 C -0.375 3.282 7.750 1.00 . A A . 8 LEU CD1 1 1 8 4238 1 1 8 LEU CD2 C -0.297 1.903 9.832 1.00 . A A . 8 LEU CD2 1 1 8 4239 1 1 8 LEU CG C -0.474 1.860 8.313 1.00 . A A . 8 LEU CG 1 1 8 4240 1 1 8 LEU H H -3.706 -0.118 6.889 1.00 . A A . 8 LEU H 1 1 8 4241 1 1 8 LEU HA H -2.030 2.129 6.022 1.00 . A A . 8 LEU HA 1 1 8 4242 1 1 8 LEU HB2 H -2.633 1.890 8.391 1.00 . A A . 8 LEU HB2 1 1 8 4243 1 1 8 LEU HB3 H -1.921 0.261 8.431 1.00 . A A . 8 LEU HB3 1 1 8 4244 1 1 8 LEU HD11 H -1.268 3.846 8.020 1.00 . A A . 8 LEU HD11 1 1 8 4245 1 1 8 LEU HD12 H 0.504 3.776 8.166 1.00 . A A . 8 LEU HD12 1 1 8 4246 1 1 8 LEU HD13 H -0.284 3.241 6.667 1.00 . A A . 8 LEU HD13 1 1 8 4247 1 1 8 LEU HD21 H -0.376 0.894 10.236 1.00 . A A . 8 LEU HD21 1 1 8 4248 1 1 8 LEU HD22 H 0.683 2.315 10.073 1.00 . A A . 8 LEU HD22 1 1 8 4249 1 1 8 LEU HD23 H -1.073 2.531 10.272 1.00 . A A . 8 LEU HD23 1 1 8 4250 1 1 8 LEU HG H 0.314 1.243 7.879 1.00 . A A . 8 LEU HG 1 1 8 4251 1 1 8 LEU N N -3.327 0.510 6.195 1.00 . A A . 8 LEU N 1 1 8 4252 1 1 8 LEU O O -0.687 -0.838 6.247 1.00 . A A . 8 LEU O 1 1 8 4253 1 1 9 CYS C C 2.026 -0.027 5.156 1.00 . A A . 9 CYS C 1 1 8 4254 1 1 9 CYS CA C 0.874 0.176 4.179 1.00 . A A . 9 CYS CA 1 1 8 4255 1 1 9 CYS CB C 1.344 1.002 2.983 1.00 . A A . 9 CYS CB 1 1 8 4256 1 1 9 CYS H H -0.466 1.798 4.531 1.00 . A A . 9 CYS H 1 1 8 4257 1 1 9 CYS HA H 0.528 -0.796 3.825 1.00 . A A . 9 CYS HA 1 1 8 4258 1 1 9 CYS HB2 H 0.560 1.039 2.232 1.00 . A A . 9 CYS HB2 1 1 8 4259 1 1 9 CYS HB3 H 1.586 2.013 3.307 1.00 . A A . 9 CYS HB3 1 1 8 4260 1 1 9 CYS N N -0.226 0.862 4.841 1.00 . A A . 9 CYS N 1 1 8 4261 1 1 9 CYS O O 2.492 0.927 5.770 1.00 . A A . 9 CYS O 1 1 8 4262 1 1 9 CYS SG S 2.823 0.220 2.286 1.00 . A A . 9 CYS SG 1 1 8 4263 1 1 10 THR C C 4.921 -1.338 5.443 1.00 . A A . 10 THR C 1 1 8 4264 1 1 10 THR CA C 3.598 -1.588 6.176 1.00 . A A . 10 THR CA 1 1 8 4265 1 1 10 THR CB C 3.475 -3.052 6.626 1.00 . A A . 10 THR CB 1 1 8 4266 1 1 10 THR CG2 C 4.417 -3.317 7.803 1.00 . A A . 10 THR CG2 1 1 8 4267 1 1 10 THR H H 2.065 -2.025 4.770 1.00 . A A . 10 THR H 1 1 8 4268 1 1 10 THR HA H 3.550 -0.944 7.055 1.00 . A A . 10 THR HA 1 1 8 4269 1 1 10 THR HB H 3.735 -3.714 5.798 1.00 . A A . 10 THR HB 1 1 8 4270 1 1 10 THR HG1 H 1.902 -2.678 7.706 1.00 . A A . 10 THR HG1 1 1 8 4271 1 1 10 THR HG21 H 4.166 -2.650 8.629 1.00 . A A . 10 THR HG21 1 1 8 4272 1 1 10 THR HG22 H 4.309 -4.353 8.128 1.00 . A A . 10 THR HG22 1 1 8 4273 1 1 10 THR HG23 H 5.447 -3.141 7.495 1.00 . A A . 10 THR HG23 1 1 8 4274 1 1 10 THR N N 2.490 -1.271 5.292 1.00 . A A . 10 THR N 1 1 8 4275 1 1 10 THR O O 5.571 -2.281 4.995 1.00 . A A . 10 THR O 1 1 8 4276 1 1 10 THR OG1 O 2.145 -3.310 7.025 1.00 . A A . 10 THR OG1 1 1 8 4277 1 1 11 ALA C C 7.299 1.323 5.543 1.00 . A A . 11 ALA C 1 1 8 4278 1 1 11 ALA CA C 6.557 0.313 4.664 1.00 . A A . 11 ALA CA 1 1 8 4279 1 1 11 ALA CB C 6.243 0.910 3.292 1.00 . A A . 11 ALA CB 1 1 8 4280 1 1 11 ALA H H 4.740 0.682 5.702 1.00 . A A . 11 ALA H 1 1 8 4281 1 1 11 ALA HA H 7.173 -0.574 4.533 1.00 . A A . 11 ALA HA 1 1 8 4282 1 1 11 ALA HB1 H 5.525 1.720 3.404 1.00 . A A . 11 ALA HB1 1 1 8 4283 1 1 11 ALA HB2 H 7.157 1.294 2.841 1.00 . A A . 11 ALA HB2 1 1 8 4284 1 1 11 ALA HB3 H 5.820 0.137 2.649 1.00 . A A . 11 ALA HB3 1 1 8 4285 1 1 11 ALA N N 5.315 -0.060 5.322 1.00 . A A . 11 ALA N 1 1 8 4286 1 1 11 ALA O O 6.660 2.117 6.233 1.00 . A A . 11 ALA O 1 1 8 4287 1 1 12 PRO C C 9.230 3.639 5.916 1.00 . A A . 12 PRO C 1 1 8 4288 1 1 12 PRO CA C 9.455 2.189 6.332 1.00 . A A . 12 PRO CA 1 1 8 4289 1 1 12 PRO CB C 10.907 1.760 6.091 1.00 . A A . 12 PRO CB 1 1 8 4290 1 1 12 PRO CD C 9.425 0.384 4.713 1.00 . A A . 12 PRO CD 1 1 8 4291 1 1 12 PRO CG C 10.881 0.811 4.890 1.00 . A A . 12 PRO CG 1 1 8 4292 1 1 12 PRO HA H 9.205 2.063 7.386 1.00 . A A . 12 PRO HA 1 1 8 4293 1 1 12 PRO HB2 H 11.531 2.628 5.873 1.00 . A A . 12 PRO HB2 1 1 8 4294 1 1 12 PRO HB3 H 11.289 1.237 6.969 1.00 . A A . 12 PRO HB3 1 1 8 4295 1 1 12 PRO HD2 H 9.137 0.464 3.665 1.00 . A A . 12 PRO HD2 1 1 8 4296 1 1 12 PRO HD3 H 9.293 -0.640 5.065 1.00 . A A . 12 PRO HD3 1 1 8 4297 1 1 12 PRO HG2 H 11.222 1.336 3.998 1.00 . A A . 12 PRO HG2 1 1 8 4298 1 1 12 PRO HG3 H 11.511 -0.058 5.080 1.00 . A A . 12 PRO HG3 1 1 8 4299 1 1 12 PRO N N 8.647 1.297 5.527 1.00 . A A . 12 PRO N 1 1 8 4300 1 1 12 PRO O O 9.662 4.053 4.840 1.00 . A A . 12 PRO O 1 1 8 4301 1 1 13 GLY C C 7.159 6.016 5.512 1.00 . A A . 13 GLY C 1 1 8 4302 1 1 13 GLY CA C 8.299 5.823 6.513 1.00 . A A . 13 GLY CA 1 1 8 4303 1 1 13 GLY H H 8.205 4.018 7.634 1.00 . A A . 13 GLY H 1 1 8 4304 1 1 13 GLY HA2 H 8.037 6.314 7.451 1.00 . A A . 13 GLY HA2 1 1 8 4305 1 1 13 GLY HA3 H 9.205 6.282 6.115 1.00 . A A . 13 GLY HA3 1 1 8 4306 1 1 13 GLY N N 8.552 4.413 6.772 1.00 . A A . 13 GLY N 1 1 8 4307 1 1 13 GLY O O 6.330 6.905 5.688 1.00 . A A . 13 GLY O 1 1 8 4308 1 1 14 CYS C C 4.831 4.592 3.821 1.00 . A A . 14 CYS C 1 1 8 4309 1 1 14 CYS CA C 6.097 5.323 3.416 1.00 . A A . 14 CYS CA 1 1 8 4310 1 1 14 CYS CB C 6.637 4.758 2.111 1.00 . A A . 14 CYS CB 1 1 8 4311 1 1 14 CYS H H 7.806 4.457 4.361 1.00 . A A . 14 CYS H 1 1 8 4312 1 1 14 CYS HA H 5.866 6.380 3.275 1.00 . A A . 14 CYS HA 1 1 8 4313 1 1 14 CYS HB2 H 7.674 5.041 2.003 1.00 . A A . 14 CYS HB2 1 1 8 4314 1 1 14 CYS HB3 H 6.555 3.673 2.116 1.00 . A A . 14 CYS HB3 1 1 8 4315 1 1 14 CYS N N 7.114 5.192 4.454 1.00 . A A . 14 CYS N 1 1 8 4316 1 1 14 CYS O O 4.249 3.859 3.018 1.00 . A A . 14 CYS O 1 1 8 4317 1 1 14 CYS SG S 5.673 5.439 0.739 1.00 . A A . 14 CYS SG 1 1 8 4318 1 1 15 GLY C C 1.974 4.888 5.178 1.00 . A A . 15 GLY C 1 1 8 4319 1 1 15 GLY CA C 3.228 4.114 5.562 1.00 . A A . 15 GLY CA 1 1 8 4320 1 1 15 GLY H H 4.902 5.406 5.682 1.00 . A A . 15 GLY H 1 1 8 4321 1 1 15 GLY HA2 H 3.184 3.119 5.132 1.00 . A A . 15 GLY HA2 1 1 8 4322 1 1 15 GLY HA3 H 3.293 4.038 6.646 1.00 . A A . 15 GLY HA3 1 1 8 4323 1 1 15 GLY N N 4.400 4.783 5.063 1.00 . A A . 15 GLY N 1 1 8 4324 1 1 15 GLY O O 1.290 5.432 6.042 1.00 . A A . 15 GLY O 1 1 8 4325 1 1 16 GLN C C -0.754 4.815 3.687 1.00 . A A . 16 GLN C 1 1 8 4326 1 1 16 GLN CA C 0.497 5.637 3.386 1.00 . A A . 16 GLN CA 1 1 8 4327 1 1 16 GLN CB C 0.640 5.889 1.883 1.00 . A A . 16 GLN CB 1 1 8 4328 1 1 16 GLN CD C 1.945 7.192 0.158 1.00 . A A . 16 GLN CD 1 1 8 4329 1 1 16 GLN CG C 1.671 6.997 1.646 1.00 . A A . 16 GLN CG 1 1 8 4330 1 1 16 GLN H H 2.270 4.475 3.202 1.00 . A A . 16 GLN H 1 1 8 4331 1 1 16 GLN HA H 0.417 6.597 3.898 1.00 . A A . 16 GLN HA 1 1 8 4332 1 1 16 GLN HB2 H 0.966 4.973 1.390 1.00 . A A . 16 GLN HB2 1 1 8 4333 1 1 16 GLN HB3 H -0.323 6.197 1.475 1.00 . A A . 16 GLN HB3 1 1 8 4334 1 1 16 GLN HE21 H 1.016 7.476 -1.629 1.00 . A A . 16 GLN HE21 1 1 8 4335 1 1 16 GLN HE22 H -0.045 7.330 -0.246 1.00 . A A . 16 GLN HE22 1 1 8 4336 1 1 16 GLN HG2 H 1.294 7.932 2.064 1.00 . A A . 16 GLN HG2 1 1 8 4337 1 1 16 GLN HG3 H 2.603 6.734 2.147 1.00 . A A . 16 GLN HG3 1 1 8 4338 1 1 16 GLN N N 1.671 4.937 3.875 1.00 . A A . 16 GLN N 1 1 8 4339 1 1 16 GLN NE2 N 0.886 7.345 -0.636 1.00 . A A . 16 GLN NE2 1 1 8 4340 1 1 16 GLN O O -0.669 3.602 3.914 1.00 . A A . 16 GLN O 1 1 8 4341 1 1 16 GLN OE1 O 3.098 7.204 -0.264 1.00 . A A . 16 GLN OE1 1 1 8 4342 1 1 17 ARG C C -4.142 5.115 2.824 1.00 . A A . 17 ARG C 1 1 8 4343 1 1 17 ARG CA C -3.189 4.855 3.978 1.00 . A A . 17 ARG CA 1 1 8 4344 1 1 17 ARG CB C -3.749 5.417 5.294 1.00 . A A . 17 ARG CB 1 1 8 4345 1 1 17 ARG CD C -6.259 5.657 5.180 1.00 . A A . 17 ARG CD 1 1 8 4346 1 1 17 ARG CG C -5.099 4.757 5.637 1.00 . A A . 17 ARG CG 1 1 8 4347 1 1 17 ARG CZ C -8.331 5.080 6.417 1.00 . A A . 17 ARG CZ 1 1 8 4348 1 1 17 ARG H H -1.908 6.473 3.480 1.00 . A A . 17 ARG H 1 1 8 4349 1 1 17 ARG HA H -3.044 3.784 4.084 1.00 . A A . 17 ARG HA 1 1 8 4350 1 1 17 ARG HB2 H -3.042 5.212 6.096 1.00 . A A . 17 ARG HB2 1 1 8 4351 1 1 17 ARG HB3 H -3.885 6.494 5.201 1.00 . A A . 17 ARG HB3 1 1 8 4352 1 1 17 ARG HD2 H -6.263 6.569 5.778 1.00 . A A . 17 ARG HD2 1 1 8 4353 1 1 17 ARG HD3 H -6.121 5.925 4.136 1.00 . A A . 17 ARG HD3 1 1 8 4354 1 1 17 ARG HE H -7.863 4.390 4.552 1.00 . A A . 17 ARG HE 1 1 8 4355 1 1 17 ARG HG2 H -5.172 3.789 5.142 1.00 . A A . 17 ARG HG2 1 1 8 4356 1 1 17 ARG HG3 H -5.163 4.612 6.714 1.00 . A A . 17 ARG HG3 1 1 8 4357 1 1 17 ARG HH11 H -6.904 5.984 7.559 1.00 . A A . 17 ARG HH11 1 1 8 4358 1 1 17 ARG HH12 H -8.424 5.672 8.374 1.00 . A A . 17 ARG HH12 1 1 8 4359 1 1 17 ARG HH21 H -9.943 4.157 5.571 1.00 . A A . 17 ARG HH21 1 1 8 4360 1 1 17 ARG HH22 H -10.211 4.804 7.181 1.00 . A A . 17 ARG HH22 1 1 8 4361 1 1 17 ARG N N -1.910 5.486 3.690 1.00 . A A . 17 ARG N 1 1 8 4362 1 1 17 ARG NE N -7.553 4.970 5.323 1.00 . A A . 17 ARG NE 1 1 8 4363 1 1 17 ARG NH1 N -7.844 5.625 7.539 1.00 . A A . 17 ARG NH1 1 1 8 4364 1 1 17 ARG NH2 N -9.597 4.643 6.383 1.00 . A A . 17 ARG NH2 1 1 8 4365 1 1 17 ARG O O -4.054 6.151 2.166 1.00 . A A . 17 ARG O 1 1 8 4366 1 1 18 PHE C C -7.374 3.763 1.984 1.00 . A A . 18 PHE C 1 1 8 4367 1 1 18 PHE CA C -6.022 4.281 1.508 1.00 . A A . 18 PHE CA 1 1 8 4368 1 1 18 PHE CB C -5.522 3.485 0.302 1.00 . A A . 18 PHE CB 1 1 8 4369 1 1 18 PHE CD1 C -3.021 3.228 0.591 1.00 . A A . 18 PHE CD1 1 1 8 4370 1 1 18 PHE CD2 C -3.845 4.762 -1.109 1.00 . A A . 18 PHE CD2 1 1 8 4371 1 1 18 PHE CE1 C -1.701 3.558 0.252 1.00 . A A . 18 PHE CE1 1 1 8 4372 1 1 18 PHE CE2 C -2.520 5.090 -1.450 1.00 . A A . 18 PHE CE2 1 1 8 4373 1 1 18 PHE CG C -4.097 3.829 -0.088 1.00 . A A . 18 PHE CG 1 1 8 4374 1 1 18 PHE CZ C -1.449 4.487 -0.767 1.00 . A A . 18 PHE CZ 1 1 8 4375 1 1 18 PHE H H -5.076 3.340 3.161 1.00 . A A . 18 PHE H 1 1 8 4376 1 1 18 PHE HA H -6.126 5.329 1.225 1.00 . A A . 18 PHE HA 1 1 8 4377 1 1 18 PHE HB2 H -5.573 2.421 0.538 1.00 . A A . 18 PHE HB2 1 1 8 4378 1 1 18 PHE HB3 H -6.177 3.686 -0.545 1.00 . A A . 18 PHE HB3 1 1 8 4379 1 1 18 PHE HD1 H -3.215 2.521 1.381 1.00 . A A . 18 PHE HD1 1 1 8 4380 1 1 18 PHE HD2 H -4.667 5.232 -1.630 1.00 . A A . 18 PHE HD2 1 1 8 4381 1 1 18 PHE HE1 H -0.878 3.100 0.779 1.00 . A A . 18 PHE HE1 1 1 8 4382 1 1 18 PHE HE2 H -2.326 5.808 -2.233 1.00 . A A . 18 PHE HE2 1 1 8 4383 1 1 18 PHE HZ H -0.433 4.742 -1.022 1.00 . A A . 18 PHE HZ 1 1 8 4384 1 1 18 PHE N N -5.052 4.169 2.582 1.00 . A A . 18 PHE N 1 1 8 4385 1 1 18 PHE O O -7.467 3.141 3.044 1.00 . A A . 18 PHE O 1 1 8 4386 1 1 19 THR C C -10.026 2.181 0.967 1.00 . A A . 19 THR C 1 1 8 4387 1 1 19 THR CA C -9.772 3.585 1.526 1.00 . A A . 19 THR CA 1 1 8 4388 1 1 19 THR CB C -10.792 4.595 0.974 1.00 . A A . 19 THR CB 1 1 8 4389 1 1 19 THR CG2 C -10.778 4.596 -0.560 1.00 . A A . 19 THR CG2 1 1 8 4390 1 1 19 THR H H -8.284 4.542 0.343 1.00 . A A . 19 THR H 1 1 8 4391 1 1 19 THR HA H -9.874 3.550 2.612 1.00 . A A . 19 THR HA 1 1 8 4392 1 1 19 THR HB H -10.540 5.593 1.335 1.00 . A A . 19 THR HB 1 1 8 4393 1 1 19 THR HG1 H -12.253 3.334 1.202 1.00 . A A . 19 THR HG1 1 1 8 4394 1 1 19 THR HG21 H -9.772 4.802 -0.920 1.00 . A A . 19 THR HG21 1 1 8 4395 1 1 19 THR HG22 H -11.106 3.626 -0.932 1.00 . A A . 19 THR HG22 1 1 8 4396 1 1 19 THR HG23 H -11.456 5.369 -0.925 1.00 . A A . 19 THR HG23 1 1 8 4397 1 1 19 THR N N -8.422 4.024 1.196 1.00 . A A . 19 THR N 1 1 8 4398 1 1 19 THR O O -10.916 1.484 1.446 1.00 . A A . 19 THR O 1 1 8 4399 1 1 19 THR OG1 O -12.083 4.252 1.428 1.00 . A A . 19 THR OG1 1 1 8 4400 1 1 20 ASN C C -8.047 -0.257 -0.671 1.00 . A A . 20 ASN C 1 1 8 4401 1 1 20 ASN CA C -9.388 0.462 -0.673 1.00 . A A . 20 ASN CA 1 1 8 4402 1 1 20 ASN CB C -9.878 0.627 -2.116 1.00 . A A . 20 ASN CB 1 1 8 4403 1 1 20 ASN CG C -11.362 0.980 -2.185 1.00 . A A . 20 ASN CG 1 1 8 4404 1 1 20 ASN H H -8.527 2.387 -0.401 1.00 . A A . 20 ASN H 1 1 8 4405 1 1 20 ASN HA H -10.109 -0.134 -0.114 1.00 . A A . 20 ASN HA 1 1 8 4406 1 1 20 ASN HB2 H -9.301 1.414 -2.599 1.00 . A A . 20 ASN HB2 1 1 8 4407 1 1 20 ASN HB3 H -9.716 -0.307 -2.652 1.00 . A A . 20 ASN HB3 1 1 8 4408 1 1 20 ASN HD21 H -11.252 1.162 -4.206 1.00 . A A . 20 ASN HD21 1 1 8 4409 1 1 20 ASN HD22 H -12.822 1.485 -3.504 1.00 . A A . 20 ASN HD22 1 1 8 4410 1 1 20 ASN N N -9.244 1.773 -0.048 1.00 . A A . 20 ASN N 1 1 8 4411 1 1 20 ASN ND2 N -11.853 1.230 -3.396 1.00 . A A . 20 ASN ND2 1 1 8 4412 1 1 20 ASN O O -6.995 0.382 -0.752 1.00 . A A . 20 ASN O 1 1 8 4413 1 1 20 ASN OD1 O -12.052 1.021 -1.168 1.00 . A A . 20 ASN OD1 1 1 8 4414 1 1 21 GLU C C -6.272 -2.348 -2.021 1.00 . A A . 21 GLU C 1 1 8 4415 1 1 21 GLU CA C -6.885 -2.402 -0.621 1.00 . A A . 21 GLU CA 1 1 8 4416 1 1 21 GLU CB C -7.232 -3.842 -0.228 1.00 . A A . 21 GLU CB 1 1 8 4417 1 1 21 GLU CD C -6.295 -5.984 0.701 1.00 . A A . 21 GLU CD 1 1 8 4418 1 1 21 GLU CG C -5.967 -4.576 0.224 1.00 . A A . 21 GLU CG 1 1 8 4419 1 1 21 GLU H H -8.979 -2.059 -0.517 1.00 . A A . 21 GLU H 1 1 8 4420 1 1 21 GLU HA H -6.171 -1.999 0.097 1.00 . A A . 21 GLU HA 1 1 8 4421 1 1 21 GLU HB2 H -7.953 -3.831 0.589 1.00 . A A . 21 GLU HB2 1 1 8 4422 1 1 21 GLU HB3 H -7.668 -4.359 -1.084 1.00 . A A . 21 GLU HB3 1 1 8 4423 1 1 21 GLU HG2 H -5.267 -4.635 -0.611 1.00 . A A . 21 GLU HG2 1 1 8 4424 1 1 21 GLU HG3 H -5.503 -4.023 1.041 1.00 . A A . 21 GLU HG3 1 1 8 4425 1 1 21 GLU N N -8.089 -1.590 -0.592 1.00 . A A . 21 GLU N 1 1 8 4426 1 1 21 GLU O O -5.072 -2.536 -2.178 1.00 . A A . 21 GLU O 1 1 8 4427 1 1 21 GLU OE1 O -7.045 -6.086 1.697 1.00 . A A . 21 GLU OE1 1 1 8 4428 1 1 21 GLU OE2 O -5.790 -6.933 0.063 1.00 . A A . 21 GLU OE2 1 1 8 4429 1 1 22 ASP C C -5.531 -0.956 -4.527 1.00 . A A . 22 ASP C 1 1 8 4430 1 1 22 ASP CA C -6.657 -1.981 -4.418 1.00 . A A . 22 ASP CA 1 1 8 4431 1 1 22 ASP CB C -7.838 -1.553 -5.290 1.00 . A A . 22 ASP CB 1 1 8 4432 1 1 22 ASP CG C -9.018 -2.504 -5.127 1.00 . A A . 22 ASP CG 1 1 8 4433 1 1 22 ASP H H -8.093 -1.946 -2.850 1.00 . A A . 22 ASP H 1 1 8 4434 1 1 22 ASP HA H -6.295 -2.953 -4.753 1.00 . A A . 22 ASP HA 1 1 8 4435 1 1 22 ASP HB2 H -8.147 -0.548 -5.000 1.00 . A A . 22 ASP HB2 1 1 8 4436 1 1 22 ASP HB3 H -7.526 -1.542 -6.334 1.00 . A A . 22 ASP HB3 1 1 8 4437 1 1 22 ASP N N -7.107 -2.084 -3.036 1.00 . A A . 22 ASP N 1 1 8 4438 1 1 22 ASP O O -4.521 -1.197 -5.188 1.00 . A A . 22 ASP O 1 1 8 4439 1 1 22 ASP OD1 O -9.697 -2.390 -4.082 1.00 . A A . 22 ASP OD1 1 1 8 4440 1 1 22 ASP OD2 O -9.218 -3.324 -6.048 1.00 . A A . 22 ASP OD2 1 1 8 4441 1 1 23 HIS C C -3.483 0.807 -3.143 1.00 . A A . 23 HIS C 1 1 8 4442 1 1 23 HIS CA C -4.725 1.258 -3.900 1.00 . A A . 23 HIS CA 1 1 8 4443 1 1 23 HIS CB C -5.316 2.519 -3.269 1.00 . A A . 23 HIS CB 1 1 8 4444 1 1 23 HIS CD2 C -7.732 3.571 -3.330 1.00 . A A . 23 HIS CD2 1 1 8 4445 1 1 23 HIS CE1 C -8.274 3.075 -5.330 1.00 . A A . 23 HIS CE1 1 1 8 4446 1 1 23 HIS CG C -6.654 2.900 -3.852 1.00 . A A . 23 HIS CG 1 1 8 4447 1 1 23 HIS H H -6.557 0.337 -3.339 1.00 . A A . 23 HIS H 1 1 8 4448 1 1 23 HIS HA H -4.455 1.468 -4.935 1.00 . A A . 23 HIS HA 1 1 8 4449 1 1 23 HIS HB2 H -5.438 2.349 -2.201 1.00 . A A . 23 HIS HB2 1 1 8 4450 1 1 23 HIS HB3 H -4.620 3.344 -3.417 1.00 . A A . 23 HIS HB3 1 1 8 4451 1 1 23 HIS HD1 H -6.475 2.090 -5.839 1.00 . A A . 23 HIS HD1 1 1 8 4452 1 1 23 HIS HD2 H -7.773 3.959 -2.323 1.00 . A A . 23 HIS HD2 1 1 8 4453 1 1 23 HIS HE1 H -8.823 2.978 -6.255 1.00 . A A . 23 HIS HE1 1 1 8 4454 1 1 23 HIS N N -5.712 0.195 -3.874 1.00 . A A . 23 HIS N 1 1 8 4455 1 1 23 HIS ND1 N -7.029 2.588 -5.155 1.00 . A A . 23 HIS ND1 1 1 8 4456 1 1 23 HIS NE2 N -8.761 3.688 -4.251 1.00 . A A . 23 HIS NE2 1 1 8 4457 1 1 23 HIS O O -2.363 1.157 -3.511 1.00 . A A . 23 HIS O 1 1 8 4458 1 1 24 LEU C C -1.814 -1.538 -2.101 1.00 . A A . 24 LEU C 1 1 8 4459 1 1 24 LEU CA C -2.588 -0.498 -1.291 1.00 . A A . 24 LEU CA 1 1 8 4460 1 1 24 LEU CB C -3.132 -1.125 -0.008 1.00 . A A . 24 LEU CB 1 1 8 4461 1 1 24 LEU CD1 C -2.044 0.118 1.871 1.00 . A A . 24 LEU CD1 1 1 8 4462 1 1 24 LEU CD2 C -2.276 -2.361 2.000 1.00 . A A . 24 LEU CD2 1 1 8 4463 1 1 24 LEU CG C -2.027 -1.175 1.065 1.00 . A A . 24 LEU CG 1 1 8 4464 1 1 24 LEU H H -4.632 -0.234 -1.826 1.00 . A A . 24 LEU H 1 1 8 4465 1 1 24 LEU HA H -1.921 0.323 -1.030 1.00 . A A . 24 LEU HA 1 1 8 4466 1 1 24 LEU HB2 H -3.969 -0.529 0.359 1.00 . A A . 24 LEU HB2 1 1 8 4467 1 1 24 LEU HB3 H -3.481 -2.134 -0.221 1.00 . A A . 24 LEU HB3 1 1 8 4468 1 1 24 LEU HD11 H -3.070 0.387 2.105 1.00 . A A . 24 LEU HD11 1 1 8 4469 1 1 24 LEU HD12 H -1.489 -0.023 2.794 1.00 . A A . 24 LEU HD12 1 1 8 4470 1 1 24 LEU HD13 H -1.583 0.913 1.289 1.00 . A A . 24 LEU HD13 1 1 8 4471 1 1 24 LEU HD21 H -3.255 -2.257 2.468 1.00 . A A . 24 LEU HD21 1 1 8 4472 1 1 24 LEU HD22 H -2.243 -3.288 1.428 1.00 . A A . 24 LEU HD22 1 1 8 4473 1 1 24 LEU HD23 H -1.506 -2.384 2.772 1.00 . A A . 24 LEU HD23 1 1 8 4474 1 1 24 LEU HG H -1.046 -1.284 0.592 1.00 . A A . 24 LEU HG 1 1 8 4475 1 1 24 LEU N N -3.686 0.019 -2.084 1.00 . A A . 24 LEU N 1 1 8 4476 1 1 24 LEU O O -0.620 -1.700 -1.907 1.00 . A A . 24 LEU O 1 1 8 4477 1 1 25 ALA C C -0.822 -2.624 -4.734 1.00 . A A . 25 ALA C 1 1 8 4478 1 1 25 ALA CA C -1.874 -3.261 -3.829 1.00 . A A . 25 ALA CA 1 1 8 4479 1 1 25 ALA CB C -2.939 -3.985 -4.654 1.00 . A A . 25 ALA CB 1 1 8 4480 1 1 25 ALA H H -3.490 -2.070 -3.131 1.00 . A A . 25 ALA H 1 1 8 4481 1 1 25 ALA HA H -1.385 -3.986 -3.177 1.00 . A A . 25 ALA HA 1 1 8 4482 1 1 25 ALA HB1 H -3.720 -4.360 -3.992 1.00 . A A . 25 ALA HB1 1 1 8 4483 1 1 25 ALA HB2 H -3.377 -3.295 -5.375 1.00 . A A . 25 ALA HB2 1 1 8 4484 1 1 25 ALA HB3 H -2.483 -4.820 -5.185 1.00 . A A . 25 ALA HB3 1 1 8 4485 1 1 25 ALA N N -2.501 -2.242 -3.008 1.00 . A A . 25 ALA N 1 1 8 4486 1 1 25 ALA O O 0.349 -2.974 -4.654 1.00 . A A . 25 ALA O 1 1 8 4487 1 1 26 VAL C C 0.769 -0.280 -5.737 1.00 . A A . 26 VAL C 1 1 8 4488 1 1 26 VAL CA C -0.321 -1.023 -6.516 1.00 . A A . 26 VAL CA 1 1 8 4489 1 1 26 VAL CB C -1.095 -0.058 -7.438 1.00 . A A . 26 VAL CB 1 1 8 4490 1 1 26 VAL CG1 C -2.103 -0.849 -8.279 1.00 . A A . 26 VAL CG1 1 1 8 4491 1 1 26 VAL CG2 C -1.841 1.005 -6.618 1.00 . A A . 26 VAL CG2 1 1 8 4492 1 1 26 VAL H H -2.218 -1.430 -5.618 1.00 . A A . 26 VAL H 1 1 8 4493 1 1 26 VAL HA H 0.157 -1.783 -7.136 1.00 . A A . 26 VAL HA 1 1 8 4494 1 1 26 VAL HB H -0.390 0.438 -8.105 1.00 . A A . 26 VAL HB 1 1 8 4495 1 1 26 VAL HG11 H -1.584 -1.643 -8.818 1.00 . A A . 26 VAL HG11 1 1 8 4496 1 1 26 VAL HG12 H -2.860 -1.288 -7.629 1.00 . A A . 26 VAL HG12 1 1 8 4497 1 1 26 VAL HG13 H -2.584 -0.181 -8.993 1.00 . A A . 26 VAL HG13 1 1 8 4498 1 1 26 VAL HG21 H -2.504 0.521 -5.905 1.00 . A A . 26 VAL HG21 1 1 8 4499 1 1 26 VAL HG22 H -1.126 1.630 -6.082 1.00 . A A . 26 VAL HG22 1 1 8 4500 1 1 26 VAL HG23 H -2.429 1.632 -7.288 1.00 . A A . 26 VAL HG23 1 1 8 4501 1 1 26 VAL N N -1.241 -1.688 -5.595 1.00 . A A . 26 VAL N 1 1 8 4502 1 1 26 VAL O O 1.927 -0.249 -6.157 1.00 . A A . 26 VAL O 1 1 8 4503 1 1 27 HIS C C 2.391 0.161 -3.185 1.00 . A A . 27 HIS C 1 1 8 4504 1 1 27 HIS CA C 1.319 1.078 -3.781 1.00 . A A . 27 HIS CA 1 1 8 4505 1 1 27 HIS CB C 0.520 1.773 -2.680 1.00 . A A . 27 HIS CB 1 1 8 4506 1 1 27 HIS CD2 C 1.663 2.176 -0.364 1.00 . A A . 27 HIS CD2 1 1 8 4507 1 1 27 HIS CE1 C 2.762 3.938 -0.823 1.00 . A A . 27 HIS CE1 1 1 8 4508 1 1 27 HIS CG C 1.387 2.457 -1.671 1.00 . A A . 27 HIS CG 1 1 8 4509 1 1 27 HIS H H -0.569 0.254 -4.300 1.00 . A A . 27 HIS H 1 1 8 4510 1 1 27 HIS HA H 1.803 1.835 -4.398 1.00 . A A . 27 HIS HA 1 1 8 4511 1 1 27 HIS HB2 H -0.140 2.512 -3.135 1.00 . A A . 27 HIS HB2 1 1 8 4512 1 1 27 HIS HB3 H -0.084 1.030 -2.166 1.00 . A A . 27 HIS HB3 1 1 8 4513 1 1 27 HIS HD1 H 2.144 4.098 -2.835 1.00 . A A . 27 HIS HD1 1 1 8 4514 1 1 27 HIS HD2 H 1.253 1.333 0.168 1.00 . A A . 27 HIS HD2 1 1 8 4515 1 1 27 HIS HE1 H 3.410 4.794 -0.747 1.00 . A A . 27 HIS HE1 1 1 8 4516 1 1 27 HIS N N 0.395 0.318 -4.604 1.00 . A A . 27 HIS N 1 1 8 4517 1 1 27 HIS ND1 N 2.111 3.606 -1.953 1.00 . A A . 27 HIS ND1 1 1 8 4518 1 1 27 HIS NE2 N 2.530 3.102 0.191 1.00 . A A . 27 HIS NE2 1 1 8 4519 1 1 27 HIS O O 3.584 0.387 -3.388 1.00 . A A . 27 HIS O 1 1 8 4520 1 1 28 LYS C C 3.647 -2.601 -2.839 1.00 . A A . 28 LYS C 1 1 8 4521 1 1 28 LYS CA C 2.890 -1.787 -1.799 1.00 . A A . 28 LYS CA 1 1 8 4522 1 1 28 LYS CB C 2.139 -2.694 -0.806 1.00 . A A . 28 LYS CB 1 1 8 4523 1 1 28 LYS CD C 0.831 -4.806 -0.506 1.00 . A A . 28 LYS CD 1 1 8 4524 1 1 28 LYS CE C 0.719 -6.260 -0.983 1.00 . A A . 28 LYS CE 1 1 8 4525 1 1 28 LYS CG C 1.711 -4.008 -1.473 1.00 . A A . 28 LYS CG 1 1 8 4526 1 1 28 LYS H H 0.979 -1.017 -2.320 1.00 . A A . 28 LYS H 1 1 8 4527 1 1 28 LYS HA H 3.613 -1.200 -1.235 1.00 . A A . 28 LYS HA 1 1 8 4528 1 1 28 LYS HB2 H 2.796 -2.921 0.032 1.00 . A A . 28 LYS HB2 1 1 8 4529 1 1 28 LYS HB3 H 1.259 -2.172 -0.436 1.00 . A A . 28 LYS HB3 1 1 8 4530 1 1 28 LYS HD2 H 1.271 -4.784 0.491 1.00 . A A . 28 LYS HD2 1 1 8 4531 1 1 28 LYS HD3 H -0.163 -4.358 -0.472 1.00 . A A . 28 LYS HD3 1 1 8 4532 1 1 28 LYS HE2 H -0.181 -6.705 -0.556 1.00 . A A . 28 LYS HE2 1 1 8 4533 1 1 28 LYS HE3 H 0.641 -6.276 -2.072 1.00 . A A . 28 LYS HE3 1 1 8 4534 1 1 28 LYS HG2 H 1.146 -3.793 -2.380 1.00 . A A . 28 LYS HG2 1 1 8 4535 1 1 28 LYS HG3 H 2.594 -4.596 -1.724 1.00 . A A . 28 LYS HG3 1 1 8 4536 1 1 28 LYS HZ1 H 1.968 -7.047 0.439 1.00 . A A . 28 LYS HZ1 1 1 8 4537 1 1 28 LYS HZ2 H 1.780 -8.011 -0.882 1.00 . A A . 28 LYS HZ2 1 1 8 4538 1 1 28 LYS HZ3 H 2.739 -6.670 -0.972 1.00 . A A . 28 LYS HZ3 1 1 8 4539 1 1 28 LYS N N 1.966 -0.869 -2.445 1.00 . A A . 28 LYS N 1 1 8 4540 1 1 28 LYS NZ N 1.892 -7.059 -0.566 1.00 . A A . 28 LYS NZ 1 1 8 4541 1 1 28 LYS O O 4.749 -3.032 -2.574 1.00 . A A . 28 LYS O 1 1 8 4542 1 1 29 HIS C C 5.001 -2.822 -5.505 1.00 . A A . 29 HIS C 1 1 8 4543 1 1 29 HIS CA C 3.726 -3.553 -5.083 1.00 . A A . 29 HIS CA 1 1 8 4544 1 1 29 HIS CB C 2.778 -3.715 -6.273 1.00 . A A . 29 HIS CB 1 1 8 4545 1 1 29 HIS CD2 C 3.925 -5.629 -7.672 1.00 . A A . 29 HIS CD2 1 1 8 4546 1 1 29 HIS CE1 C 4.283 -4.558 -9.480 1.00 . A A . 29 HIS CE1 1 1 8 4547 1 1 29 HIS CG C 3.441 -4.363 -7.460 1.00 . A A . 29 HIS CG 1 1 8 4548 1 1 29 HIS H H 2.134 -2.442 -4.194 1.00 . A A . 29 HIS H 1 1 8 4549 1 1 29 HIS HA H 3.994 -4.542 -4.709 1.00 . A A . 29 HIS HA 1 1 8 4550 1 1 29 HIS HB2 H 1.933 -4.330 -5.968 1.00 . A A . 29 HIS HB2 1 1 8 4551 1 1 29 HIS HB3 H 2.410 -2.733 -6.569 1.00 . A A . 29 HIS HB3 1 1 8 4552 1 1 29 HIS HD1 H 3.459 -2.720 -8.848 1.00 . A A . 29 HIS HD1 1 1 8 4553 1 1 29 HIS HD2 H 3.893 -6.421 -6.939 1.00 . A A . 29 HIS HD2 1 1 8 4554 1 1 29 HIS HE1 H 4.590 -4.304 -10.484 1.00 . A A . 29 HIS HE1 1 1 8 4555 1 1 29 HIS N N 3.061 -2.808 -4.022 1.00 . A A . 29 HIS N 1 1 8 4556 1 1 29 HIS ND1 N 3.686 -3.683 -8.648 1.00 . A A . 29 HIS ND1 1 1 8 4557 1 1 29 HIS NE2 N 4.459 -5.767 -8.944 1.00 . A A . 29 HIS NE2 1 1 8 4558 1 1 29 HIS O O 6.014 -3.456 -5.787 1.00 . A A . 29 HIS O 1 1 8 4559 1 1 30 LYS C C 7.222 -0.833 -4.901 1.00 . A A . 30 LYS C 1 1 8 4560 1 1 30 LYS CA C 6.095 -0.675 -5.927 1.00 . A A . 30 LYS CA 1 1 8 4561 1 1 30 LYS CB C 5.666 0.791 -6.046 1.00 . A A . 30 LYS CB 1 1 8 4562 1 1 30 LYS CD C 6.287 3.039 -6.953 1.00 . A A . 30 LYS CD 1 1 8 4563 1 1 30 LYS CE C 7.100 3.759 -8.036 1.00 . A A . 30 LYS CE 1 1 8 4564 1 1 30 LYS CG C 6.679 1.558 -6.900 1.00 . A A . 30 LYS CG 1 1 8 4565 1 1 30 LYS H H 4.086 -1.011 -5.300 1.00 . A A . 30 LYS H 1 1 8 4566 1 1 30 LYS HA H 6.454 -1.017 -6.898 1.00 . A A . 30 LYS HA 1 1 8 4567 1 1 30 LYS HB2 H 4.684 0.844 -6.518 1.00 . A A . 30 LYS HB2 1 1 8 4568 1 1 30 LYS HB3 H 5.612 1.237 -5.051 1.00 . A A . 30 LYS HB3 1 1 8 4569 1 1 30 LYS HD2 H 5.225 3.123 -7.187 1.00 . A A . 30 LYS HD2 1 1 8 4570 1 1 30 LYS HD3 H 6.480 3.501 -5.985 1.00 . A A . 30 LYS HD3 1 1 8 4571 1 1 30 LYS HE2 H 6.862 3.328 -9.009 1.00 . A A . 30 LYS HE2 1 1 8 4572 1 1 30 LYS HE3 H 6.830 4.816 -8.040 1.00 . A A . 30 LYS HE3 1 1 8 4573 1 1 30 LYS HG2 H 7.673 1.460 -6.460 1.00 . A A . 30 LYS HG2 1 1 8 4574 1 1 30 LYS HG3 H 6.687 1.147 -7.909 1.00 . A A . 30 LYS HG3 1 1 8 4575 1 1 30 LYS HZ1 H 8.763 3.921 -6.853 1.00 . A A . 30 LYS HZ1 1 1 8 4576 1 1 30 LYS HZ2 H 8.835 2.670 -7.929 1.00 . A A . 30 LYS HZ2 1 1 8 4577 1 1 30 LYS HZ3 H 9.054 4.221 -8.452 1.00 . A A . 30 LYS HZ3 1 1 8 4578 1 1 30 LYS N N 4.947 -1.483 -5.543 1.00 . A A . 30 LYS N 1 1 8 4579 1 1 30 LYS NZ N 8.548 3.634 -7.794 1.00 . A A . 30 LYS NZ 1 1 8 4580 1 1 30 LYS O O 8.395 -0.850 -5.267 1.00 . A A . 30 LYS O 1 1 8 4581 1 1 31 HIS C C 8.353 -2.563 -2.565 1.00 . A A . 31 HIS C 1 1 8 4582 1 1 31 HIS CA C 7.844 -1.121 -2.551 1.00 . A A . 31 HIS CA 1 1 8 4583 1 1 31 HIS CB C 7.185 -0.789 -1.205 1.00 . A A . 31 HIS CB 1 1 8 4584 1 1 31 HIS CD2 C 5.457 1.164 -0.775 1.00 . A A . 31 HIS CD2 1 1 8 4585 1 1 31 HIS CE1 C 6.686 2.814 -1.339 1.00 . A A . 31 HIS CE1 1 1 8 4586 1 1 31 HIS CG C 6.668 0.625 -1.147 1.00 . A A . 31 HIS CG 1 1 8 4587 1 1 31 HIS H H 5.882 -0.920 -3.366 1.00 . A A . 31 HIS H 1 1 8 4588 1 1 31 HIS HA H 8.682 -0.443 -2.717 1.00 . A A . 31 HIS HA 1 1 8 4589 1 1 31 HIS HB2 H 6.354 -1.474 -1.040 1.00 . A A . 31 HIS HB2 1 1 8 4590 1 1 31 HIS HB3 H 7.919 -0.928 -0.411 1.00 . A A . 31 HIS HB3 1 1 8 4591 1 1 31 HIS HD1 H 8.403 1.694 -1.838 1.00 . A A . 31 HIS HD1 1 1 8 4592 1 1 31 HIS HD2 H 4.605 0.584 -0.434 1.00 . A A . 31 HIS HD2 1 1 8 4593 1 1 31 HIS HE1 H 7.036 3.815 -1.544 1.00 . A A . 31 HIS HE1 1 1 8 4594 1 1 31 HIS N N 6.864 -0.948 -3.616 1.00 . A A . 31 HIS N 1 1 8 4595 1 1 31 HIS ND1 N 7.448 1.718 -1.509 1.00 . A A . 31 HIS ND1 1 1 8 4596 1 1 31 HIS NE2 N 5.459 2.546 -0.889 1.00 . A A . 31 HIS NE2 1 1 8 4597 1 1 31 HIS O O 9.554 -2.809 -2.661 1.00 . A A . 31 HIS O 1 1 8 4598 1 1 32 GLU C C 7.865 -5.397 -3.929 1.00 . A A . 32 GLU C 1 1 8 4599 1 1 32 GLU CA C 7.686 -4.926 -2.481 1.00 . A A . 32 GLU CA 1 1 8 4600 1 1 32 GLU CB C 6.489 -5.621 -1.809 1.00 . A A . 32 GLU CB 1 1 8 4601 1 1 32 GLU CD C 5.644 -7.730 -0.732 1.00 . A A . 32 GLU CD 1 1 8 4602 1 1 32 GLU CG C 6.846 -7.048 -1.385 1.00 . A A . 32 GLU CG 1 1 8 4603 1 1 32 GLU H H 6.461 -3.215 -2.396 1.00 . A A . 32 GLU H 1 1 8 4604 1 1 32 GLU HA H 8.594 -5.131 -1.914 1.00 . A A . 32 GLU HA 1 1 8 4605 1 1 32 GLU HB2 H 6.197 -5.053 -0.926 1.00 . A A . 32 GLU HB2 1 1 8 4606 1 1 32 GLU HB3 H 5.652 -5.650 -2.508 1.00 . A A . 32 GLU HB3 1 1 8 4607 1 1 32 GLU HG2 H 7.150 -7.623 -2.259 1.00 . A A . 32 GLU HG2 1 1 8 4608 1 1 32 GLU HG3 H 7.670 -7.016 -0.672 1.00 . A A . 32 GLU HG3 1 1 8 4609 1 1 32 GLU N N 7.415 -3.501 -2.473 1.00 . A A . 32 GLU N 1 1 8 4610 1 1 32 GLU O O 7.209 -6.341 -4.371 1.00 . A A . 32 GLU O 1 1 8 4611 1 1 32 GLU OE1 O 4.516 -7.206 -0.913 1.00 . A A . 32 GLU OE1 1 1 8 4612 1 1 32 GLU OE2 O 5.871 -8.759 -0.062 1.00 . A A . 32 GLU OE2 1 1 8 4613 1 1 33 MET C C 10.151 -6.038 -6.167 1.00 . A A . 33 MET C 1 1 8 4614 1 1 33 MET CA C 8.998 -5.043 -6.063 1.00 . A A . 33 MET CA 1 1 8 4615 1 1 33 MET CB C 9.313 -3.746 -6.821 1.00 . A A . 33 MET CB 1 1 8 4616 1 1 33 MET CE C 8.195 -4.707 -10.741 1.00 . A A . 33 MET CE 1 1 8 4617 1 1 33 MET CG C 9.327 -4.006 -8.328 1.00 . A A . 33 MET CG 1 1 8 4618 1 1 33 MET H H 9.272 -3.965 -4.256 1.00 . A A . 33 MET H 1 1 8 4619 1 1 33 MET HA H 8.100 -5.491 -6.488 1.00 . A A . 33 MET HA 1 1 8 4620 1 1 33 MET HB2 H 8.550 -3.004 -6.594 1.00 . A A . 33 MET HB2 1 1 8 4621 1 1 33 MET HB3 H 10.287 -3.370 -6.509 1.00 . A A . 33 MET HB3 1 1 8 4622 1 1 33 MET HE1 H 8.604 -3.772 -11.126 1.00 . A A . 33 MET HE1 1 1 8 4623 1 1 33 MET HE2 H 8.948 -5.489 -10.815 1.00 . A A . 33 MET HE2 1 1 8 4624 1 1 33 MET HE3 H 7.319 -4.987 -11.325 1.00 . A A . 33 MET HE3 1 1 8 4625 1 1 33 MET HG2 H 9.655 -3.097 -8.832 1.00 . A A . 33 MET HG2 1 1 8 4626 1 1 33 MET HG3 H 10.043 -4.795 -8.538 1.00 . A A . 33 MET HG3 1 1 8 4627 1 1 33 MET N N 8.752 -4.725 -4.670 1.00 . A A . 33 MET N 1 1 8 4628 1 1 33 MET O O 11.276 -5.732 -5.780 1.00 . A A . 33 MET O 1 1 8 4629 1 1 33 MET SD S 7.720 -4.490 -9.009 1.00 . A A . 33 MET SD 1 1 8 4630 1 1 34 THR C C 11.884 -7.854 -7.939 1.00 . A A . 34 THR C 1 1 8 4631 1 1 34 THR CA C 10.872 -8.270 -6.863 1.00 . A A . 34 THR CA 1 1 8 4632 1 1 34 THR CB C 10.180 -9.596 -7.221 1.00 . A A . 34 THR CB 1 1 8 4633 1 1 34 THR CG2 C 9.449 -9.479 -8.564 1.00 . A A . 34 THR CG2 1 1 8 4634 1 1 34 THR H H 8.919 -7.429 -6.991 1.00 . A A . 34 THR H 1 1 8 4635 1 1 34 THR HA H 11.401 -8.398 -5.917 1.00 . A A . 34 THR HA 1 1 8 4636 1 1 34 THR HB H 9.458 -9.845 -6.441 1.00 . A A . 34 THR HB 1 1 8 4637 1 1 34 THR HG1 H 10.693 -11.452 -7.481 1.00 . A A . 34 THR HG1 1 1 8 4638 1 1 34 THR HG21 H 8.783 -8.616 -8.546 1.00 . A A . 34 THR HG21 1 1 8 4639 1 1 34 THR HG22 H 10.176 -9.361 -9.367 1.00 . A A . 34 THR HG22 1 1 8 4640 1 1 34 THR HG23 H 8.865 -10.382 -8.737 1.00 . A A . 34 THR HG23 1 1 8 4641 1 1 34 THR N N 9.863 -7.231 -6.695 1.00 . A A . 34 THR N 1 1 8 4642 1 1 34 THR O O 13.053 -8.231 -7.869 1.00 . A A . 34 THR O 1 1 8 4643 1 1 34 THR OG1 O 11.144 -10.624 -7.303 1.00 . A A . 34 THR OG1 1 1 8 4644 1 1 35 LEU C C 12.271 -5.065 -9.974 1.00 . A A . 35 LEU C 1 1 8 4645 1 1 35 LEU CA C 12.272 -6.592 -10.013 1.00 . A A . 35 LEU CA 1 1 8 4646 1 1 35 LEU CB C 11.737 -7.141 -11.353 1.00 . A A . 35 LEU CB 1 1 8 4647 1 1 35 LEU CD1 C 13.670 -6.003 -12.536 1.00 . A A . 35 LEU CD1 1 1 8 4648 1 1 35 LEU CD2 C 13.806 -8.448 -11.988 1.00 . A A . 35 LEU CD2 1 1 8 4649 1 1 35 LEU CG C 12.868 -7.302 -12.393 1.00 . A A . 35 LEU CG 1 1 8 4650 1 1 35 LEU H H 10.461 -6.790 -8.929 1.00 . A A . 35 LEU H 1 1 8 4651 1 1 35 LEU HA H 13.287 -6.947 -9.857 1.00 . A A . 35 LEU HA 1 1 8 4652 1 1 35 LEU HB2 H 11.280 -8.116 -11.180 1.00 . A A . 35 LEU HB2 1 1 8 4653 1 1 35 LEU HB3 H 10.980 -6.465 -11.748 1.00 . A A . 35 LEU HB3 1 1 8 4654 1 1 35 LEU HD11 H 12.992 -5.178 -12.752 1.00 . A A . 35 LEU HD11 1 1 8 4655 1 1 35 LEU HD12 H 14.210 -5.799 -11.613 1.00 . A A . 35 LEU HD12 1 1 8 4656 1 1 35 LEU HD13 H 14.382 -6.107 -13.354 1.00 . A A . 35 LEU HD13 1 1 8 4657 1 1 35 LEU HD21 H 13.216 -9.320 -11.707 1.00 . A A . 35 LEU HD21 1 1 8 4658 1 1 35 LEU HD22 H 14.448 -8.702 -12.831 1.00 . A A . 35 LEU HD22 1 1 8 4659 1 1 35 LEU HD23 H 14.423 -8.140 -11.147 1.00 . A A . 35 LEU HD23 1 1 8 4660 1 1 35 LEU HG H 12.420 -7.544 -13.358 1.00 . A A . 35 LEU HG 1 1 8 4661 1 1 35 LEU N N 11.427 -7.070 -8.929 1.00 . A A . 35 LEU N 1 1 8 4662 1 1 35 LEU O O 11.590 -4.409 -10.763 1.00 . A A . 35 LEU O 1 1 8 4663 1 1 36 LYS C C 13.630 -2.409 -10.144 1.00 . A A . 36 LYS C 1 1 8 4664 1 1 36 LYS CA C 13.125 -3.066 -8.859 1.00 . A A . 36 LYS CA 1 1 8 4665 1 1 36 LYS CB C 14.068 -2.771 -7.693 1.00 . A A . 36 LYS CB 1 1 8 4666 1 1 36 LYS CD C 14.323 -2.891 -5.195 1.00 . A A . 36 LYS CD 1 1 8 4667 1 1 36 LYS CE C 15.174 -4.159 -5.062 1.00 . A A . 36 LYS CE 1 1 8 4668 1 1 36 LYS CG C 13.346 -3.038 -6.368 1.00 . A A . 36 LYS CG 1 1 8 4669 1 1 36 LYS H H 13.573 -5.095 -8.417 1.00 . A A . 36 LYS H 1 1 8 4670 1 1 36 LYS HA H 12.135 -2.673 -8.626 1.00 . A A . 36 LYS HA 1 1 8 4671 1 1 36 LYS HB2 H 14.942 -3.414 -7.770 1.00 . A A . 36 LYS HB2 1 1 8 4672 1 1 36 LYS HB3 H 14.378 -1.727 -7.732 1.00 . A A . 36 LYS HB3 1 1 8 4673 1 1 36 LYS HD2 H 14.971 -2.030 -5.367 1.00 . A A . 36 LYS HD2 1 1 8 4674 1 1 36 LYS HD3 H 13.756 -2.737 -4.275 1.00 . A A . 36 LYS HD3 1 1 8 4675 1 1 36 LYS HE2 H 14.517 -5.025 -4.971 1.00 . A A . 36 LYS HE2 1 1 8 4676 1 1 36 LYS HE3 H 15.795 -4.273 -5.950 1.00 . A A . 36 LYS HE3 1 1 8 4677 1 1 36 LYS HG2 H 12.533 -2.319 -6.251 1.00 . A A . 36 LYS HG2 1 1 8 4678 1 1 36 LYS HG3 H 12.936 -4.046 -6.374 1.00 . A A . 36 LYS HG3 1 1 8 4679 1 1 36 LYS HZ1 H 16.657 -3.289 -3.949 1.00 . A A . 36 LYS HZ1 1 1 8 4680 1 1 36 LYS HZ2 H 15.474 -3.998 -3.043 1.00 . A A . 36 LYS HZ2 1 1 8 4681 1 1 36 LYS HZ3 H 16.597 -4.932 -3.810 1.00 . A A . 36 LYS HZ3 1 1 8 4682 1 1 36 LYS N N 13.035 -4.505 -9.035 1.00 . A A . 36 LYS N 1 1 8 4683 1 1 36 LYS NZ N 16.044 -4.089 -3.873 1.00 . A A . 36 LYS NZ 1 1 8 4684 1 1 36 LYS O O 14.451 -2.984 -10.859 1.00 . A A . 36 LYS O 1 1 8 4685 1 1 37 PHE C C 13.422 1.037 -11.342 1.00 . A A . 37 PHE C 1 1 8 4686 1 1 37 PHE CA C 13.512 -0.462 -11.621 1.00 . A A . 37 PHE CA 1 1 8 4687 1 1 37 PHE CB C 12.590 -0.860 -12.778 1.00 . A A . 37 PHE CB 1 1 8 4688 1 1 37 PHE CD1 C 13.932 -0.510 -14.894 1.00 . A A . 37 PHE CD1 1 1 8 4689 1 1 37 PHE CD2 C 12.089 1.008 -14.412 1.00 . A A . 37 PHE CD2 1 1 8 4690 1 1 37 PHE CE1 C 14.200 0.193 -16.081 1.00 . A A . 37 PHE CE1 1 1 8 4691 1 1 37 PHE CE2 C 12.358 1.711 -15.600 1.00 . A A . 37 PHE CE2 1 1 8 4692 1 1 37 PHE CG C 12.877 -0.103 -14.058 1.00 . A A . 37 PHE CG 1 1 8 4693 1 1 37 PHE CZ C 13.413 1.303 -16.434 1.00 . A A . 37 PHE CZ 1 1 8 4694 1 1 37 PHE H H 12.461 -0.781 -9.800 1.00 . A A . 37 PHE H 1 1 8 4695 1 1 37 PHE HA H 14.541 -0.711 -11.884 1.00 . A A . 37 PHE HA 1 1 8 4696 1 1 37 PHE HB2 H 12.711 -1.927 -12.969 1.00 . A A . 37 PHE HB2 1 1 8 4697 1 1 37 PHE HB3 H 11.557 -0.674 -12.485 1.00 . A A . 37 PHE HB3 1 1 8 4698 1 1 37 PHE HD1 H 14.539 -1.362 -14.623 1.00 . A A . 37 PHE HD1 1 1 8 4699 1 1 37 PHE HD2 H 11.279 1.324 -13.771 1.00 . A A . 37 PHE HD2 1 1 8 4700 1 1 37 PHE HE1 H 15.011 -0.119 -16.723 1.00 . A A . 37 PHE HE1 1 1 8 4701 1 1 37 PHE HE2 H 11.754 2.564 -15.871 1.00 . A A . 37 PHE HE2 1 1 8 4702 1 1 37 PHE HZ H 13.619 1.843 -17.347 1.00 . A A . 37 PHE HZ 1 1 8 4703 1 1 37 PHE N N 13.130 -1.202 -10.429 1.00 . A A . 37 PHE N 1 1 8 4704 1 1 37 PHE O O 14.381 1.771 -11.576 1.00 . A A . 37 PHE O 1 1 8 4705 1 1 38 GLY C C 10.704 3.074 -9.847 1.00 . A A . 38 GLY C 1 1 8 4706 1 1 38 GLY CA C 12.055 2.891 -10.532 1.00 . A A . 38 GLY CA 1 1 8 4707 1 1 38 GLY H H 11.510 0.845 -10.666 1.00 . A A . 38 GLY H 1 1 8 4708 1 1 38 GLY HA2 H 12.847 3.240 -9.868 1.00 . A A . 38 GLY HA2 1 1 8 4709 1 1 38 GLY HA3 H 12.075 3.471 -11.454 1.00 . A A . 38 GLY HA3 1 1 8 4710 1 1 38 GLY N N 12.267 1.489 -10.841 1.00 . A A . 38 GLY N 1 1 8 4711 1 1 38 GLY O O 10.208 2.065 -9.289 1.00 . A A . 38 GLY O 1 1 8 4712 1 1 38 GLY OXT O 10.296 4.248 -9.713 1.00 . A A . 38 GLY OXT 1 1 9 4713 1 1 1 MET C C -10.553 2.576 16.464 1.00 . A A . 1 MET C 1 1 9 4714 1 1 1 MET CA C -11.253 3.920 16.641 1.00 . A A . 1 MET CA 1 1 9 4715 1 1 1 MET CB C -11.633 4.125 18.115 1.00 . A A . 1 MET CB 1 1 9 4716 1 1 1 MET CE C -14.655 4.666 19.398 1.00 . A A . 1 MET CE 1 1 9 4717 1 1 1 MET CG C -12.244 5.519 18.327 1.00 . A A . 1 MET CG 1 1 9 4718 1 1 1 MET H1 H -12.172 3.763 14.817 1.00 . A A . 1 MET H1 1 1 9 4719 1 1 1 MET H2 H -13.119 3.293 16.087 1.00 . A A . 1 MET H2 1 1 9 4720 1 1 1 MET H3 H -12.847 4.895 15.810 1.00 . A A . 1 MET H3 1 1 9 4721 1 1 1 MET HA H -10.567 4.715 16.343 1.00 . A A . 1 MET HA 1 1 9 4722 1 1 1 MET HB2 H -12.351 3.362 18.413 1.00 . A A . 1 MET HB2 1 1 9 4723 1 1 1 MET HB3 H -10.736 4.032 18.730 1.00 . A A . 1 MET HB3 1 1 9 4724 1 1 1 MET HE1 H -14.277 5.093 20.327 1.00 . A A . 1 MET HE1 1 1 9 4725 1 1 1 MET HE2 H -15.744 4.701 19.401 1.00 . A A . 1 MET HE2 1 1 9 4726 1 1 1 MET HE3 H -14.327 3.632 19.314 1.00 . A A . 1 MET HE3 1 1 9 4727 1 1 1 MET HG2 H -12.073 5.816 19.362 1.00 . A A . 1 MET HG2 1 1 9 4728 1 1 1 MET HG3 H -11.731 6.226 17.676 1.00 . A A . 1 MET HG3 1 1 9 4729 1 1 1 MET N N -12.443 3.974 15.774 1.00 . A A . 1 MET N 1 1 9 4730 1 1 1 MET O O -11.176 1.533 16.645 1.00 . A A . 1 MET O 1 1 9 4731 1 1 1 MET SD S -14.026 5.622 17.995 1.00 . A A . 1 MET SD 1 1 9 4732 1 1 2 SER C C -9.221 0.482 14.895 1.00 . A A . 2 SER C 1 1 9 4733 1 1 2 SER CA C -8.477 1.390 15.877 1.00 . A A . 2 SER CA 1 1 9 4734 1 1 2 SER CB C -8.228 0.676 17.211 1.00 . A A . 2 SER CB 1 1 9 4735 1 1 2 SER H H -8.797 3.495 15.979 1.00 . A A . 2 SER H 1 1 9 4736 1 1 2 SER HA H -7.516 1.666 15.441 1.00 . A A . 2 SER HA 1 1 9 4737 1 1 2 SER HB2 H -9.174 0.320 17.619 1.00 . A A . 2 SER HB2 1 1 9 4738 1 1 2 SER HB3 H -7.563 -0.172 17.049 1.00 . A A . 2 SER HB3 1 1 9 4739 1 1 2 SER HG H -8.245 2.287 18.297 1.00 . A A . 2 SER HG 1 1 9 4740 1 1 2 SER N N -9.256 2.607 16.105 1.00 . A A . 2 SER N 1 1 9 4741 1 1 2 SER O O -9.296 -0.730 15.094 1.00 . A A . 2 SER O 1 1 9 4742 1 1 2 SER OG O -7.629 1.573 18.124 1.00 . A A . 2 SER OG 1 1 9 4743 1 1 3 ASP C C -9.629 -0.483 11.969 1.00 . A A . 3 ASP C 1 1 9 4744 1 1 3 ASP CA C -10.548 0.368 12.844 1.00 . A A . 3 ASP CA 1 1 9 4745 1 1 3 ASP CB C -11.324 1.381 11.995 1.00 . A A . 3 ASP CB 1 1 9 4746 1 1 3 ASP CG C -12.076 2.369 12.880 1.00 . A A . 3 ASP CG 1 1 9 4747 1 1 3 ASP H H -9.670 2.085 13.727 1.00 . A A . 3 ASP H 1 1 9 4748 1 1 3 ASP HA H -11.260 -0.286 13.351 1.00 . A A . 3 ASP HA 1 1 9 4749 1 1 3 ASP HB2 H -10.625 1.929 11.364 1.00 . A A . 3 ASP HB2 1 1 9 4750 1 1 3 ASP HB3 H -12.036 0.850 11.362 1.00 . A A . 3 ASP HB3 1 1 9 4751 1 1 3 ASP N N -9.776 1.086 13.841 1.00 . A A . 3 ASP N 1 1 9 4752 1 1 3 ASP O O -8.434 -0.206 11.861 1.00 . A A . 3 ASP O 1 1 9 4753 1 1 3 ASP OD1 O -11.428 3.349 13.318 1.00 . A A . 3 ASP OD1 1 1 9 4754 1 1 3 ASP OD2 O -13.279 2.133 13.109 1.00 . A A . 3 ASP OD2 1 1 9 4755 1 1 4 ASP C C -9.626 -2.021 9.010 1.00 . A A . 4 ASP C 1 1 9 4756 1 1 4 ASP CA C -9.463 -2.429 10.478 1.00 . A A . 4 ASP CA 1 1 9 4757 1 1 4 ASP CB C -10.002 -3.846 10.686 1.00 . A A . 4 ASP CB 1 1 9 4758 1 1 4 ASP CG C -11.428 -3.967 10.151 1.00 . A A . 4 ASP CG 1 1 9 4759 1 1 4 ASP H H -11.191 -1.693 11.477 1.00 . A A . 4 ASP H 1 1 9 4760 1 1 4 ASP HA H -8.405 -2.406 10.742 1.00 . A A . 4 ASP HA 1 1 9 4761 1 1 4 ASP HB2 H -9.361 -4.555 10.160 1.00 . A A . 4 ASP HB2 1 1 9 4762 1 1 4 ASP HB3 H -9.997 -4.081 11.751 1.00 . A A . 4 ASP HB3 1 1 9 4763 1 1 4 ASP N N -10.201 -1.519 11.347 1.00 . A A . 4 ASP N 1 1 9 4764 1 1 4 ASP O O -8.853 -2.454 8.158 1.00 . A A . 4 ASP O 1 1 9 4765 1 1 4 ASP OD1 O -12.293 -3.219 10.661 1.00 . A A . 4 ASP OD1 1 1 9 4766 1 1 4 ASP OD2 O -11.626 -4.799 9.239 1.00 . A A . 4 ASP OD2 1 1 9 4767 1 1 5 LYS C C -9.810 0.062 6.739 1.00 . A A . 5 LYS C 1 1 9 4768 1 1 5 LYS CA C -10.938 -0.792 7.352 1.00 . A A . 5 LYS CA 1 1 9 4769 1 1 5 LYS CB C -12.287 -0.049 7.294 1.00 . A A . 5 LYS CB 1 1 9 4770 1 1 5 LYS CD C -13.536 -2.258 7.565 1.00 . A A . 5 LYS CD 1 1 9 4771 1 1 5 LYS CE C -14.016 -2.272 6.105 1.00 . A A . 5 LYS CE 1 1 9 4772 1 1 5 LYS CG C -13.379 -0.812 8.073 1.00 . A A . 5 LYS CG 1 1 9 4773 1 1 5 LYS H H -11.234 -0.857 9.456 1.00 . A A . 5 LYS H 1 1 9 4774 1 1 5 LYS HA H -11.022 -1.693 6.751 1.00 . A A . 5 LYS HA 1 1 9 4775 1 1 5 LYS HB2 H -12.173 0.942 7.726 1.00 . A A . 5 LYS HB2 1 1 9 4776 1 1 5 LYS HB3 H -12.594 0.054 6.253 1.00 . A A . 5 LYS HB3 1 1 9 4777 1 1 5 LYS HD2 H -12.586 -2.785 7.648 1.00 . A A . 5 LYS HD2 1 1 9 4778 1 1 5 LYS HD3 H -14.276 -2.768 8.184 1.00 . A A . 5 LYS HD3 1 1 9 4779 1 1 5 LYS HE2 H -14.722 -3.093 5.973 1.00 . A A . 5 LYS HE2 1 1 9 4780 1 1 5 LYS HE3 H -14.519 -1.332 5.879 1.00 . A A . 5 LYS HE3 1 1 9 4781 1 1 5 LYS HG2 H -13.120 -0.833 9.131 1.00 . A A . 5 LYS HG2 1 1 9 4782 1 1 5 LYS HG3 H -14.329 -0.289 7.956 1.00 . A A . 5 LYS HG3 1 1 9 4783 1 1 5 LYS HZ1 H -12.381 -3.297 5.413 1.00 . A A . 5 LYS HZ1 1 1 9 4784 1 1 5 LYS HZ2 H -13.249 -2.550 4.226 1.00 . A A . 5 LYS HZ2 1 1 9 4785 1 1 5 LYS HZ3 H -12.274 -1.663 5.214 1.00 . A A . 5 LYS HZ3 1 1 9 4786 1 1 5 LYS N N -10.642 -1.199 8.716 1.00 . A A . 5 LYS N 1 1 9 4787 1 1 5 LYS NZ N -12.892 -2.460 5.167 1.00 . A A . 5 LYS NZ 1 1 9 4788 1 1 5 LYS O O -9.488 -0.146 5.576 1.00 . A A . 5 LYS O 1 1 9 4789 1 1 6 PRO C C -6.920 0.973 6.606 1.00 . A A . 6 PRO C 1 1 9 4790 1 1 6 PRO CA C -8.138 1.842 6.928 1.00 . A A . 6 PRO CA 1 1 9 4791 1 1 6 PRO CB C -7.821 2.897 7.992 1.00 . A A . 6 PRO CB 1 1 9 4792 1 1 6 PRO CD C -9.519 1.344 8.856 1.00 . A A . 6 PRO CD 1 1 9 4793 1 1 6 PRO CG C -8.752 2.625 9.180 1.00 . A A . 6 PRO CG 1 1 9 4794 1 1 6 PRO HA H -8.489 2.334 6.020 1.00 . A A . 6 PRO HA 1 1 9 4795 1 1 6 PRO HB2 H -6.781 2.813 8.306 1.00 . A A . 6 PRO HB2 1 1 9 4796 1 1 6 PRO HB3 H -8.009 3.893 7.593 1.00 . A A . 6 PRO HB3 1 1 9 4797 1 1 6 PRO HD2 H -9.183 0.547 9.511 1.00 . A A . 6 PRO HD2 1 1 9 4798 1 1 6 PRO HD3 H -10.587 1.509 8.974 1.00 . A A . 6 PRO HD3 1 1 9 4799 1 1 6 PRO HG2 H -8.167 2.490 10.091 1.00 . A A . 6 PRO HG2 1 1 9 4800 1 1 6 PRO HG3 H -9.448 3.455 9.304 1.00 . A A . 6 PRO HG3 1 1 9 4801 1 1 6 PRO N N -9.199 1.023 7.479 1.00 . A A . 6 PRO N 1 1 9 4802 1 1 6 PRO O O -6.259 0.465 7.512 1.00 . A A . 6 PRO O 1 1 9 4803 1 1 7 PHE C C -4.218 0.775 4.968 1.00 . A A . 7 PHE C 1 1 9 4804 1 1 7 PHE CA C -5.515 -0.020 4.870 1.00 . A A . 7 PHE CA 1 1 9 4805 1 1 7 PHE CB C -5.766 -0.482 3.432 1.00 . A A . 7 PHE CB 1 1 9 4806 1 1 7 PHE CD1 C -7.005 -2.686 3.435 1.00 . A A . 7 PHE CD1 1 1 9 4807 1 1 7 PHE CD2 C -8.246 -0.642 2.989 1.00 . A A . 7 PHE CD2 1 1 9 4808 1 1 7 PHE CE1 C -8.187 -3.434 3.298 1.00 . A A . 7 PHE CE1 1 1 9 4809 1 1 7 PHE CE2 C -9.427 -1.390 2.854 1.00 . A A . 7 PHE CE2 1 1 9 4810 1 1 7 PHE CG C -7.035 -1.289 3.279 1.00 . A A . 7 PHE CG 1 1 9 4811 1 1 7 PHE CZ C -9.398 -2.786 3.006 1.00 . A A . 7 PHE CZ 1 1 9 4812 1 1 7 PHE H H -7.199 1.253 4.608 1.00 . A A . 7 PHE H 1 1 9 4813 1 1 7 PHE HA H -5.443 -0.899 5.513 1.00 . A A . 7 PHE HA 1 1 9 4814 1 1 7 PHE HB2 H -5.828 0.395 2.786 1.00 . A A . 7 PHE HB2 1 1 9 4815 1 1 7 PHE HB3 H -4.926 -1.092 3.111 1.00 . A A . 7 PHE HB3 1 1 9 4816 1 1 7 PHE HD1 H -6.074 -3.185 3.661 1.00 . A A . 7 PHE HD1 1 1 9 4817 1 1 7 PHE HD2 H -8.270 0.431 2.877 1.00 . A A . 7 PHE HD2 1 1 9 4818 1 1 7 PHE HE1 H -8.164 -4.507 3.418 1.00 . A A . 7 PHE HE1 1 1 9 4819 1 1 7 PHE HE2 H -10.359 -0.889 2.638 1.00 . A A . 7 PHE HE2 1 1 9 4820 1 1 7 PHE HZ H -10.307 -3.360 2.901 1.00 . A A . 7 PHE HZ 1 1 9 4821 1 1 7 PHE N N -6.629 0.803 5.312 1.00 . A A . 7 PHE N 1 1 9 4822 1 1 7 PHE O O -3.896 1.548 4.068 1.00 . A A . 7 PHE O 1 1 9 4823 1 1 8 LEU C C -1.055 0.428 5.785 1.00 . A A . 8 LEU C 1 1 9 4824 1 1 8 LEU CA C -2.219 1.277 6.297 1.00 . A A . 8 LEU CA 1 1 9 4825 1 1 8 LEU CB C -2.077 1.551 7.804 1.00 . A A . 8 LEU CB 1 1 9 4826 1 1 8 LEU CD1 C -0.554 3.539 7.499 1.00 . A A . 8 LEU CD1 1 1 9 4827 1 1 8 LEU CD2 C -0.544 2.269 9.648 1.00 . A A . 8 LEU CD2 1 1 9 4828 1 1 8 LEU CG C -0.694 2.150 8.130 1.00 . A A . 8 LEU CG 1 1 9 4829 1 1 8 LEU H H -3.797 -0.069 6.770 1.00 . A A . 8 LEU H 1 1 9 4830 1 1 8 LEU HA H -2.233 2.226 5.764 1.00 . A A . 8 LEU HA 1 1 9 4831 1 1 8 LEU HB2 H -2.854 2.249 8.117 1.00 . A A . 8 LEU HB2 1 1 9 4832 1 1 8 LEU HB3 H -2.197 0.615 8.349 1.00 . A A . 8 LEU HB3 1 1 9 4833 1 1 8 LEU HD11 H -1.387 4.167 7.814 1.00 . A A . 8 LEU HD11 1 1 9 4834 1 1 8 LEU HD12 H 0.383 3.991 7.824 1.00 . A A . 8 LEU HD12 1 1 9 4835 1 1 8 LEU HD13 H -0.553 3.451 6.416 1.00 . A A . 8 LEU HD13 1 1 9 4836 1 1 8 LEU HD21 H -0.634 1.282 10.101 1.00 . A A . 8 LEU HD21 1 1 9 4837 1 1 8 LEU HD22 H 0.434 2.689 9.885 1.00 . A A . 8 LEU HD22 1 1 9 4838 1 1 8 LEU HD23 H -1.324 2.922 10.041 1.00 . A A . 8 LEU HD23 1 1 9 4839 1 1 8 LEU HG H 0.090 1.497 7.746 1.00 . A A . 8 LEU HG 1 1 9 4840 1 1 8 LEU N N -3.477 0.581 6.065 1.00 . A A . 8 LEU N 1 1 9 4841 1 1 8 LEU O O -0.809 -0.660 6.300 1.00 . A A . 8 LEU O 1 1 9 4842 1 1 9 CYS C C 2.006 0.450 5.191 1.00 . A A . 9 CYS C 1 1 9 4843 1 1 9 CYS CA C 0.833 0.240 4.243 1.00 . A A . 9 CYS CA 1 1 9 4844 1 1 9 CYS CB C 1.177 0.783 2.856 1.00 . A A . 9 CYS CB 1 1 9 4845 1 1 9 CYS H H -0.587 1.826 4.374 1.00 . A A . 9 CYS H 1 1 9 4846 1 1 9 CYS HA H 0.615 -0.827 4.163 1.00 . A A . 9 CYS HA 1 1 9 4847 1 1 9 CYS HB2 H 0.349 0.601 2.177 1.00 . A A . 9 CYS HB2 1 1 9 4848 1 1 9 CYS HB3 H 1.373 1.854 2.913 1.00 . A A . 9 CYS HB3 1 1 9 4849 1 1 9 CYS N N -0.332 0.934 4.778 1.00 . A A . 9 CYS N 1 1 9 4850 1 1 9 CYS O O 2.761 1.404 5.027 1.00 . A A . 9 CYS O 1 1 9 4851 1 1 9 CYS SG S 2.654 -0.076 2.247 1.00 . A A . 9 CYS SG 1 1 9 4852 1 1 10 THR C C 4.565 -0.127 6.470 1.00 . A A . 10 THR C 1 1 9 4853 1 1 10 THR CA C 3.219 -0.352 7.164 1.00 . A A . 10 THR CA 1 1 9 4854 1 1 10 THR CB C 3.240 -1.642 7.992 1.00 . A A . 10 THR CB 1 1 9 4855 1 1 10 THR CG2 C 4.157 -1.470 9.205 1.00 . A A . 10 THR CG2 1 1 9 4856 1 1 10 THR H H 1.491 -1.203 6.264 1.00 . A A . 10 THR H 1 1 9 4857 1 1 10 THR HA H 3.017 0.489 7.829 1.00 . A A . 10 THR HA 1 1 9 4858 1 1 10 THR HB H 3.605 -2.466 7.374 1.00 . A A . 10 THR HB 1 1 9 4859 1 1 10 THR HG1 H 1.957 -2.738 8.959 1.00 . A A . 10 THR HG1 1 1 9 4860 1 1 10 THR HG21 H 3.803 -0.636 9.813 1.00 . A A . 10 THR HG21 1 1 9 4861 1 1 10 THR HG22 H 4.148 -2.382 9.801 1.00 . A A . 10 THR HG22 1 1 9 4862 1 1 10 THR HG23 H 5.175 -1.267 8.868 1.00 . A A . 10 THR HG23 1 1 9 4863 1 1 10 THR N N 2.149 -0.439 6.181 1.00 . A A . 10 THR N 1 1 9 4864 1 1 10 THR O O 5.073 -1.016 5.790 1.00 . A A . 10 THR O 1 1 9 4865 1 1 10 THR OG1 O 1.930 -1.935 8.432 1.00 . A A . 10 THR OG1 1 1 9 4866 1 1 11 ALA C C 6.977 2.637 6.810 1.00 . A A . 11 ALA C 1 1 9 4867 1 1 11 ALA CA C 6.412 1.426 6.058 1.00 . A A . 11 ALA CA 1 1 9 4868 1 1 11 ALA CB C 6.220 1.730 4.569 1.00 . A A . 11 ALA CB 1 1 9 4869 1 1 11 ALA H H 4.667 1.768 7.213 1.00 . A A . 11 ALA H 1 1 9 4870 1 1 11 ALA HA H 7.094 0.584 6.165 1.00 . A A . 11 ALA HA 1 1 9 4871 1 1 11 ALA HB1 H 5.346 2.363 4.437 1.00 . A A . 11 ALA HB1 1 1 9 4872 1 1 11 ALA HB2 H 7.101 2.239 4.183 1.00 . A A . 11 ALA HB2 1 1 9 4873 1 1 11 ALA HB3 H 6.074 0.797 4.025 1.00 . A A . 11 ALA HB3 1 1 9 4874 1 1 11 ALA N N 5.134 1.071 6.647 1.00 . A A . 11 ALA N 1 1 9 4875 1 1 11 ALA O O 6.209 3.449 7.323 1.00 . A A . 11 ALA O 1 1 9 4876 1 1 12 PRO C C 8.784 5.179 6.942 1.00 . A A . 12 PRO C 1 1 9 4877 1 1 12 PRO CA C 8.978 3.824 7.625 1.00 . A A . 12 PRO CA 1 1 9 4878 1 1 12 PRO CB C 10.455 3.422 7.652 1.00 . A A . 12 PRO CB 1 1 9 4879 1 1 12 PRO CD C 9.244 1.830 6.267 1.00 . A A . 12 PRO CD 1 1 9 4880 1 1 12 PRO CG C 10.626 2.430 6.503 1.00 . A A . 12 PRO CG 1 1 9 4881 1 1 12 PRO HA H 8.589 3.866 8.643 1.00 . A A . 12 PRO HA 1 1 9 4882 1 1 12 PRO HB2 H 11.098 4.291 7.507 1.00 . A A . 12 PRO HB2 1 1 9 4883 1 1 12 PRO HB3 H 10.690 2.937 8.599 1.00 . A A . 12 PRO HB3 1 1 9 4884 1 1 12 PRO HD2 H 9.047 1.746 5.200 1.00 . A A . 12 PRO HD2 1 1 9 4885 1 1 12 PRO HD3 H 9.176 0.851 6.745 1.00 . A A . 12 PRO HD3 1 1 9 4886 1 1 12 PRO HG2 H 10.952 2.957 5.607 1.00 . A A . 12 PRO HG2 1 1 9 4887 1 1 12 PRO HG3 H 11.341 1.653 6.770 1.00 . A A . 12 PRO HG3 1 1 9 4888 1 1 12 PRO N N 8.317 2.756 6.889 1.00 . A A . 12 PRO N 1 1 9 4889 1 1 12 PRO O O 7.932 5.964 7.352 1.00 . A A . 12 PRO O 1 1 9 4890 1 1 13 GLY C C 8.397 6.791 4.207 1.00 . A A . 13 GLY C 1 1 9 4891 1 1 13 GLY CA C 9.551 6.731 5.203 1.00 . A A . 13 GLY CA 1 1 9 4892 1 1 13 GLY H H 10.255 4.765 5.594 1.00 . A A . 13 GLY H 1 1 9 4893 1 1 13 GLY HA2 H 9.437 7.535 5.930 1.00 . A A . 13 GLY HA2 1 1 9 4894 1 1 13 GLY HA3 H 10.491 6.868 4.667 1.00 . A A . 13 GLY HA3 1 1 9 4895 1 1 13 GLY N N 9.588 5.454 5.902 1.00 . A A . 13 GLY N 1 1 9 4896 1 1 13 GLY O O 8.544 7.356 3.127 1.00 . A A . 13 GLY O 1 1 9 4897 1 1 14 CYS C C 4.797 6.173 4.549 1.00 . A A . 14 CYS C 1 1 9 4898 1 1 14 CYS CA C 6.070 6.265 3.705 1.00 . A A . 14 CYS CA 1 1 9 4899 1 1 14 CYS CB C 6.143 5.138 2.677 1.00 . A A . 14 CYS CB 1 1 9 4900 1 1 14 CYS H H 7.178 5.740 5.460 1.00 . A A . 14 CYS H 1 1 9 4901 1 1 14 CYS HA H 6.062 7.216 3.174 1.00 . A A . 14 CYS HA 1 1 9 4902 1 1 14 CYS HB2 H 6.995 5.298 2.016 1.00 . A A . 14 CYS HB2 1 1 9 4903 1 1 14 CYS HB3 H 6.253 4.183 3.185 1.00 . A A . 14 CYS HB3 1 1 9 4904 1 1 14 CYS N N 7.245 6.218 4.566 1.00 . A A . 14 CYS N 1 1 9 4905 1 1 14 CYS O O 4.120 7.176 4.744 1.00 . A A . 14 CYS O 1 1 9 4906 1 1 14 CYS SG S 4.619 5.138 1.710 1.00 . A A . 14 CYS SG 1 1 9 4907 1 1 15 GLY C C 2.047 5.386 5.288 1.00 . A A . 15 GLY C 1 1 9 4908 1 1 15 GLY CA C 3.305 4.742 5.881 1.00 . A A . 15 GLY CA 1 1 9 4909 1 1 15 GLY H H 5.076 4.182 4.852 1.00 . A A . 15 GLY H 1 1 9 4910 1 1 15 GLY HA2 H 3.142 3.670 5.979 1.00 . A A . 15 GLY HA2 1 1 9 4911 1 1 15 GLY HA3 H 3.488 5.162 6.870 1.00 . A A . 15 GLY HA3 1 1 9 4912 1 1 15 GLY N N 4.481 4.969 5.047 1.00 . A A . 15 GLY N 1 1 9 4913 1 1 15 GLY O O 1.330 6.090 5.996 1.00 . A A . 15 GLY O 1 1 9 4914 1 1 16 GLN C C -0.620 4.810 3.653 1.00 . A A . 16 GLN C 1 1 9 4915 1 1 16 GLN CA C 0.582 5.702 3.357 1.00 . A A . 16 GLN CA 1 1 9 4916 1 1 16 GLN CB C 0.810 5.826 1.850 1.00 . A A . 16 GLN CB 1 1 9 4917 1 1 16 GLN CD C 1.964 7.187 0.074 1.00 . A A . 16 GLN CD 1 1 9 4918 1 1 16 GLN CG C 1.600 7.102 1.552 1.00 . A A . 16 GLN CG 1 1 9 4919 1 1 16 GLN H H 2.381 4.564 3.445 1.00 . A A . 16 GLN H 1 1 9 4920 1 1 16 GLN HA H 0.392 6.693 3.766 1.00 . A A . 16 GLN HA 1 1 9 4921 1 1 16 GLN HB2 H 1.364 4.960 1.492 1.00 . A A . 16 GLN HB2 1 1 9 4922 1 1 16 GLN HB3 H -0.154 5.873 1.343 1.00 . A A . 16 GLN HB3 1 1 9 4923 1 1 16 GLN HE21 H 0.002 7.210 -0.461 1.00 . A A . 16 GLN HE21 1 1 9 4924 1 1 16 GLN HE22 H 1.144 7.299 -1.783 1.00 . A A . 16 GLN HE22 1 1 9 4925 1 1 16 GLN HG2 H 0.995 7.969 1.820 1.00 . A A . 16 GLN HG2 1 1 9 4926 1 1 16 GLN HG3 H 2.512 7.108 2.147 1.00 . A A . 16 GLN HG3 1 1 9 4927 1 1 16 GLN N N 1.768 5.145 3.996 1.00 . A A . 16 GLN N 1 1 9 4928 1 1 16 GLN NE2 N 0.954 7.235 -0.794 1.00 . A A . 16 GLN NE2 1 1 9 4929 1 1 16 GLN O O -0.473 3.596 3.804 1.00 . A A . 16 GLN O 1 1 9 4930 1 1 16 GLN OE1 O 3.141 7.206 -0.275 1.00 . A A . 16 GLN OE1 1 1 9 4931 1 1 17 ARG C C -4.061 4.996 2.950 1.00 . A A . 17 ARG C 1 1 9 4932 1 1 17 ARG CA C -3.041 4.714 4.037 1.00 . A A . 17 ARG CA 1 1 9 4933 1 1 17 ARG CB C -3.563 5.165 5.408 1.00 . A A . 17 ARG CB 1 1 9 4934 1 1 17 ARG CD C -6.079 5.289 5.510 1.00 . A A . 17 ARG CD 1 1 9 4935 1 1 17 ARG CG C -4.853 4.408 5.777 1.00 . A A . 17 ARG CG 1 1 9 4936 1 1 17 ARG CZ C -7.146 7.298 6.483 1.00 . A A . 17 ARG CZ 1 1 9 4937 1 1 17 ARG H H -1.858 6.420 3.584 1.00 . A A . 17 ARG H 1 1 9 4938 1 1 17 ARG HA H -2.840 3.648 4.067 1.00 . A A . 17 ARG HA 1 1 9 4939 1 1 17 ARG HB2 H -2.805 4.960 6.159 1.00 . A A . 17 ARG HB2 1 1 9 4940 1 1 17 ARG HB3 H -3.762 6.235 5.381 1.00 . A A . 17 ARG HB3 1 1 9 4941 1 1 17 ARG HD2 H -5.998 5.733 4.520 1.00 . A A . 17 ARG HD2 1 1 9 4942 1 1 17 ARG HD3 H -6.977 4.671 5.552 1.00 . A A . 17 ARG HD3 1 1 9 4943 1 1 17 ARG HE H -5.497 6.377 7.252 1.00 . A A . 17 ARG HE 1 1 9 4944 1 1 17 ARG HG2 H -4.929 3.497 5.187 1.00 . A A . 17 ARG HG2 1 1 9 4945 1 1 17 ARG HG3 H -4.825 4.145 6.835 1.00 . A A . 17 ARG HG3 1 1 9 4946 1 1 17 ARG HH11 H -8.030 6.588 4.786 1.00 . A A . 17 ARG HH11 1 1 9 4947 1 1 17 ARG HH12 H -8.780 8.005 5.480 1.00 . A A . 17 ARG HH12 1 1 9 4948 1 1 17 ARG HH21 H -6.505 8.238 8.177 1.00 . A A . 17 ARG HH21 1 1 9 4949 1 1 17 ARG HH22 H -7.907 8.949 7.413 1.00 . A A . 17 ARG HH22 1 1 9 4950 1 1 17 ARG N N -1.806 5.424 3.737 1.00 . A A . 17 ARG N 1 1 9 4951 1 1 17 ARG NE N -6.185 6.359 6.511 1.00 . A A . 17 ARG NE 1 1 9 4952 1 1 17 ARG NH1 N -8.060 7.297 5.502 1.00 . A A . 17 ARG NH1 1 1 9 4953 1 1 17 ARG NH2 N -7.190 8.238 7.435 1.00 . A A . 17 ARG NH2 1 1 9 4954 1 1 17 ARG O O -4.067 6.082 2.369 1.00 . A A . 17 ARG O 1 1 9 4955 1 1 18 PHE C C -7.260 3.574 2.156 1.00 . A A . 18 PHE C 1 1 9 4956 1 1 18 PHE CA C -5.940 4.142 1.647 1.00 . A A . 18 PHE CA 1 1 9 4957 1 1 18 PHE CB C -5.472 3.409 0.387 1.00 . A A . 18 PHE CB 1 1 9 4958 1 1 18 PHE CD1 C -2.990 3.040 0.699 1.00 . A A . 18 PHE CD1 1 1 9 4959 1 1 18 PHE CD2 C -3.723 4.672 -0.951 1.00 . A A . 18 PHE CD2 1 1 9 4960 1 1 18 PHE CE1 C -1.651 3.327 0.392 1.00 . A A . 18 PHE CE1 1 1 9 4961 1 1 18 PHE CE2 C -2.381 4.957 -1.261 1.00 . A A . 18 PHE CE2 1 1 9 4962 1 1 18 PHE CG C -4.028 3.710 0.029 1.00 . A A . 18 PHE CG 1 1 9 4963 1 1 18 PHE CZ C -1.347 4.284 -0.586 1.00 . A A . 18 PHE CZ 1 1 9 4964 1 1 18 PHE H H -4.868 3.142 3.192 1.00 . A A . 18 PHE H 1 1 9 4965 1 1 18 PHE HA H -6.080 5.197 1.410 1.00 . A A . 18 PHE HA 1 1 9 4966 1 1 18 PHE HB2 H -5.575 2.335 0.546 1.00 . A A . 18 PHE HB2 1 1 9 4967 1 1 18 PHE HB3 H -6.112 3.701 -0.446 1.00 . A A . 18 PHE HB3 1 1 9 4968 1 1 18 PHE HD1 H -3.225 2.313 1.459 1.00 . A A . 18 PHE HD1 1 1 9 4969 1 1 18 PHE HD2 H -4.517 5.194 -1.463 1.00 . A A . 18 PHE HD2 1 1 9 4970 1 1 18 PHE HE1 H -0.858 2.816 0.913 1.00 . A A . 18 PHE HE1 1 1 9 4971 1 1 18 PHE HE2 H -2.145 5.696 -2.011 1.00 . A A . 18 PHE HE2 1 1 9 4972 1 1 18 PHE HZ H -0.316 4.506 -0.817 1.00 . A A . 18 PHE HZ 1 1 9 4973 1 1 18 PHE N N -4.922 4.014 2.675 1.00 . A A . 18 PHE N 1 1 9 4974 1 1 18 PHE O O -7.281 2.796 3.113 1.00 . A A . 18 PHE O 1 1 9 4975 1 1 19 THR C C -9.958 2.117 1.344 1.00 . A A . 19 THR C 1 1 9 4976 1 1 19 THR CA C -9.692 3.522 1.890 1.00 . A A . 19 THR CA 1 1 9 4977 1 1 19 THR CB C -10.723 4.512 1.339 1.00 . A A . 19 THR CB 1 1 9 4978 1 1 19 THR CG2 C -10.619 5.842 2.087 1.00 . A A . 19 THR CG2 1 1 9 4979 1 1 19 THR H H -8.281 4.609 0.733 1.00 . A A . 19 THR H 1 1 9 4980 1 1 19 THR HA H -9.769 3.499 2.979 1.00 . A A . 19 THR HA 1 1 9 4981 1 1 19 THR HB H -11.726 4.102 1.468 1.00 . A A . 19 THR HB 1 1 9 4982 1 1 19 THR HG1 H -11.180 5.279 -0.390 1.00 . A A . 19 THR HG1 1 1 9 4983 1 1 19 THR HG21 H -10.779 5.675 3.152 1.00 . A A . 19 THR HG21 1 1 9 4984 1 1 19 THR HG22 H -9.629 6.273 1.931 1.00 . A A . 19 THR HG22 1 1 9 4985 1 1 19 THR HG23 H -11.376 6.531 1.711 1.00 . A A . 19 THR HG23 1 1 9 4986 1 1 19 THR N N -8.361 3.971 1.513 1.00 . A A . 19 THR N 1 1 9 4987 1 1 19 THR O O -10.893 1.454 1.790 1.00 . A A . 19 THR O 1 1 9 4988 1 1 19 THR OG1 O -10.477 4.728 -0.036 1.00 . A A . 19 THR OG1 1 1 9 4989 1 1 20 ASN C C -7.959 -0.367 -0.292 1.00 . A A . 20 ASN C 1 1 9 4990 1 1 20 ASN CA C -9.295 0.363 -0.239 1.00 . A A . 20 ASN CA 1 1 9 4991 1 1 20 ASN CB C -9.853 0.523 -1.660 1.00 . A A . 20 ASN CB 1 1 9 4992 1 1 20 ASN CG C -9.111 1.597 -2.455 1.00 . A A . 20 ASN CG 1 1 9 4993 1 1 20 ASN H H -8.385 2.260 0.054 1.00 . A A . 20 ASN H 1 1 9 4994 1 1 20 ASN HA H -9.995 -0.233 0.346 1.00 . A A . 20 ASN HA 1 1 9 4995 1 1 20 ASN HB2 H -9.749 -0.426 -2.182 1.00 . A A . 20 ASN HB2 1 1 9 4996 1 1 20 ASN HB3 H -10.909 0.786 -1.601 1.00 . A A . 20 ASN HB3 1 1 9 4997 1 1 20 ASN HD21 H -10.588 1.636 -3.852 1.00 . A A . 20 ASN HD21 1 1 9 4998 1 1 20 ASN HD22 H -9.246 2.720 -4.148 1.00 . A A . 20 ASN HD22 1 1 9 4999 1 1 20 ASN N N -9.140 1.672 0.379 1.00 . A A . 20 ASN N 1 1 9 5000 1 1 20 ASN ND2 N -9.697 2.019 -3.575 1.00 . A A . 20 ASN ND2 1 1 9 5001 1 1 20 ASN O O -6.897 0.245 -0.169 1.00 . A A . 20 ASN O 1 1 9 5002 1 1 20 ASN OD1 O -8.031 2.035 -2.070 1.00 . A A . 20 ASN OD1 1 1 9 5003 1 1 21 GLU C C -6.304 -2.404 -2.059 1.00 . A A . 21 GLU C 1 1 9 5004 1 1 21 GLU CA C -6.841 -2.511 -0.629 1.00 . A A . 21 GLU CA 1 1 9 5005 1 1 21 GLU CB C -7.177 -3.964 -0.269 1.00 . A A . 21 GLU CB 1 1 9 5006 1 1 21 GLU CD C -8.662 -5.922 -0.791 1.00 . A A . 21 GLU CD 1 1 9 5007 1 1 21 GLU CG C -8.192 -4.550 -1.258 1.00 . A A . 21 GLU CG 1 1 9 5008 1 1 21 GLU H H -8.928 -2.132 -0.570 1.00 . A A . 21 GLU H 1 1 9 5009 1 1 21 GLU HA H -6.078 -2.148 0.061 1.00 . A A . 21 GLU HA 1 1 9 5010 1 1 21 GLU HB2 H -6.265 -4.562 -0.295 1.00 . A A . 21 GLU HB2 1 1 9 5011 1 1 21 GLU HB3 H -7.597 -3.997 0.736 1.00 . A A . 21 GLU HB3 1 1 9 5012 1 1 21 GLU HG2 H -9.054 -3.888 -1.334 1.00 . A A . 21 GLU HG2 1 1 9 5013 1 1 21 GLU HG3 H -7.728 -4.647 -2.239 1.00 . A A . 21 GLU HG3 1 1 9 5014 1 1 21 GLU N N -8.026 -1.685 -0.495 1.00 . A A . 21 GLU N 1 1 9 5015 1 1 21 GLU O O -5.145 -2.710 -2.305 1.00 . A A . 21 GLU O 1 1 9 5016 1 1 21 GLU OE1 O -9.609 -5.949 0.026 1.00 . A A . 21 GLU OE1 1 1 9 5017 1 1 21 GLU OE2 O -8.063 -6.915 -1.256 1.00 . A A . 21 GLU OE2 1 1 9 5018 1 1 22 ASP C C -5.594 -0.829 -4.495 1.00 . A A . 22 ASP C 1 1 9 5019 1 1 22 ASP CA C -6.771 -1.795 -4.392 1.00 . A A . 22 ASP CA 1 1 9 5020 1 1 22 ASP CB C -7.968 -1.266 -5.190 1.00 . A A . 22 ASP CB 1 1 9 5021 1 1 22 ASP CG C -9.163 -2.202 -5.072 1.00 . A A . 22 ASP CG 1 1 9 5022 1 1 22 ASP H H -8.107 -1.730 -2.741 1.00 . A A . 22 ASP H 1 1 9 5023 1 1 22 ASP HA H -6.473 -2.764 -4.797 1.00 . A A . 22 ASP HA 1 1 9 5024 1 1 22 ASP HB2 H -8.246 -0.283 -4.811 1.00 . A A . 22 ASP HB2 1 1 9 5025 1 1 22 ASP HB3 H -7.685 -1.177 -6.240 1.00 . A A . 22 ASP HB3 1 1 9 5026 1 1 22 ASP N N -7.157 -1.960 -2.999 1.00 . A A . 22 ASP N 1 1 9 5027 1 1 22 ASP O O -4.579 -1.141 -5.118 1.00 . A A . 22 ASP O 1 1 9 5028 1 1 22 ASP OD1 O -9.850 -2.113 -4.030 1.00 . A A . 22 ASP OD1 1 1 9 5029 1 1 22 ASP OD2 O -9.368 -2.986 -6.022 1.00 . A A . 22 ASP OD2 1 1 9 5030 1 1 23 HIS C C -3.471 0.828 -3.117 1.00 . A A . 23 HIS C 1 1 9 5031 1 1 23 HIS CA C -4.668 1.348 -3.903 1.00 . A A . 23 HIS CA 1 1 9 5032 1 1 23 HIS CB C -5.170 2.663 -3.310 1.00 . A A . 23 HIS CB 1 1 9 5033 1 1 23 HIS CD2 C -6.969 2.889 -5.230 1.00 . A A . 23 HIS CD2 1 1 9 5034 1 1 23 HIS CE1 C -7.898 4.702 -4.603 1.00 . A A . 23 HIS CE1 1 1 9 5035 1 1 23 HIS CG C -6.310 3.271 -4.087 1.00 . A A . 23 HIS CG 1 1 9 5036 1 1 23 HIS H H -6.576 0.563 -3.375 1.00 . A A . 23 HIS H 1 1 9 5037 1 1 23 HIS HA H -4.367 1.516 -4.937 1.00 . A A . 23 HIS HA 1 1 9 5038 1 1 23 HIS HB2 H -5.498 2.483 -2.287 1.00 . A A . 23 HIS HB2 1 1 9 5039 1 1 23 HIS HB3 H -4.344 3.374 -3.293 1.00 . A A . 23 HIS HB3 1 1 9 5040 1 1 23 HIS HD1 H -6.703 5.016 -2.892 1.00 . A A . 23 HIS HD1 1 1 9 5041 1 1 23 HIS HD2 H -6.735 1.999 -5.797 1.00 . A A . 23 HIS HD2 1 1 9 5042 1 1 23 HIS HE1 H -8.549 5.562 -4.551 1.00 . A A . 23 HIS HE1 1 1 9 5043 1 1 23 HIS N N -5.726 0.352 -3.877 1.00 . A A . 23 HIS N 1 1 9 5044 1 1 23 HIS ND1 N -6.931 4.453 -3.698 1.00 . A A . 23 HIS ND1 1 1 9 5045 1 1 23 HIS NE2 N -7.976 3.781 -5.564 1.00 . A A . 23 HIS NE2 1 1 9 5046 1 1 23 HIS O O -2.326 1.102 -3.472 1.00 . A A . 23 HIS O 1 1 9 5047 1 1 24 LEU C C -1.881 -1.515 -2.062 1.00 . A A . 24 LEU C 1 1 9 5048 1 1 24 LEU CA C -2.672 -0.498 -1.237 1.00 . A A . 24 LEU CA 1 1 9 5049 1 1 24 LEU CB C -3.269 -1.167 0.001 1.00 . A A . 24 LEU CB 1 1 9 5050 1 1 24 LEU CD1 C -2.186 -0.183 2.033 1.00 . A A . 24 LEU CD1 1 1 9 5051 1 1 24 LEU CD2 C -2.467 -2.650 1.857 1.00 . A A . 24 LEU CD2 1 1 9 5052 1 1 24 LEU CG C -2.180 -1.367 1.075 1.00 . A A . 24 LEU CG 1 1 9 5053 1 1 24 LEU H H -4.703 -0.124 -1.791 1.00 . A A . 24 LEU H 1 1 9 5054 1 1 24 LEU HA H -2.003 0.303 -0.920 1.00 . A A . 24 LEU HA 1 1 9 5055 1 1 24 LEU HB2 H -4.065 -0.539 0.404 1.00 . A A . 24 LEU HB2 1 1 9 5056 1 1 24 LEU HB3 H -3.686 -2.133 -0.281 1.00 . A A . 24 LEU HB3 1 1 9 5057 1 1 24 LEU HD11 H -3.206 0.041 2.327 1.00 . A A . 24 LEU HD11 1 1 9 5058 1 1 24 LEU HD12 H -1.601 -0.429 2.917 1.00 . A A . 24 LEU HD12 1 1 9 5059 1 1 24 LEU HD13 H -1.752 0.682 1.540 1.00 . A A . 24 LEU HD13 1 1 9 5060 1 1 24 LEU HD21 H -3.456 -2.587 2.309 1.00 . A A . 24 LEU HD21 1 1 9 5061 1 1 24 LEU HD22 H -2.431 -3.505 1.182 1.00 . A A . 24 LEU HD22 1 1 9 5062 1 1 24 LEU HD23 H -1.718 -2.774 2.640 1.00 . A A . 24 LEU HD23 1 1 9 5063 1 1 24 LEU HG H -1.194 -1.441 0.606 1.00 . A A . 24 LEU HG 1 1 9 5064 1 1 24 LEU N N -3.737 0.070 -2.048 1.00 . A A . 24 LEU N 1 1 9 5065 1 1 24 LEU O O -0.682 -1.654 -1.875 1.00 . A A . 24 LEU O 1 1 9 5066 1 1 25 ALA C C -0.896 -2.619 -4.721 1.00 . A A . 25 ALA C 1 1 9 5067 1 1 25 ALA CA C -1.937 -3.247 -3.797 1.00 . A A . 25 ALA CA 1 1 9 5068 1 1 25 ALA CB C -3.010 -3.976 -4.608 1.00 . A A . 25 ALA CB 1 1 9 5069 1 1 25 ALA H H -3.557 -2.065 -3.086 1.00 . A A . 25 ALA H 1 1 9 5070 1 1 25 ALA HA H -1.441 -3.969 -3.148 1.00 . A A . 25 ALA HA 1 1 9 5071 1 1 25 ALA HB1 H -3.763 -4.383 -3.933 1.00 . A A . 25 ALA HB1 1 1 9 5072 1 1 25 ALA HB2 H -3.482 -3.281 -5.301 1.00 . A A . 25 ALA HB2 1 1 9 5073 1 1 25 ALA HB3 H -2.550 -4.790 -5.169 1.00 . A A . 25 ALA HB3 1 1 9 5074 1 1 25 ALA N N -2.565 -2.228 -2.969 1.00 . A A . 25 ALA N 1 1 9 5075 1 1 25 ALA O O 0.267 -3.001 -4.684 1.00 . A A . 25 ALA O 1 1 9 5076 1 1 26 VAL C C 0.714 -0.285 -5.715 1.00 . A A . 26 VAL C 1 1 9 5077 1 1 26 VAL CA C -0.395 -1.005 -6.486 1.00 . A A . 26 VAL CA 1 1 9 5078 1 1 26 VAL CB C -1.163 -0.022 -7.394 1.00 . A A . 26 VAL CB 1 1 9 5079 1 1 26 VAL CG1 C -2.197 -0.790 -8.224 1.00 . A A . 26 VAL CG1 1 1 9 5080 1 1 26 VAL CG2 C -1.876 1.052 -6.559 1.00 . A A . 26 VAL CG2 1 1 9 5081 1 1 26 VAL H H -2.283 -1.373 -5.547 1.00 . A A . 26 VAL H 1 1 9 5082 1 1 26 VAL HA H 0.063 -1.769 -7.115 1.00 . A A . 26 VAL HA 1 1 9 5083 1 1 26 VAL HB H -0.457 0.464 -8.068 1.00 . A A . 26 VAL HB 1 1 9 5084 1 1 26 VAL HG11 H -1.700 -1.588 -8.777 1.00 . A A . 26 VAL HG11 1 1 9 5085 1 1 26 VAL HG12 H -2.951 -1.222 -7.564 1.00 . A A . 26 VAL HG12 1 1 9 5086 1 1 26 VAL HG13 H -2.678 -0.108 -8.925 1.00 . A A . 26 VAL HG13 1 1 9 5087 1 1 26 VAL HG21 H -2.548 0.577 -5.852 1.00 . A A . 26 VAL HG21 1 1 9 5088 1 1 26 VAL HG22 H -1.142 1.652 -6.018 1.00 . A A . 26 VAL HG22 1 1 9 5089 1 1 26 VAL HG23 H -2.450 1.702 -7.220 1.00 . A A . 26 VAL HG23 1 1 9 5090 1 1 26 VAL N N -1.312 -1.658 -5.554 1.00 . A A . 26 VAL N 1 1 9 5091 1 1 26 VAL O O 1.867 -0.261 -6.149 1.00 . A A . 26 VAL O 1 1 9 5092 1 1 27 HIS C C 2.374 0.120 -3.180 1.00 . A A . 27 HIS C 1 1 9 5093 1 1 27 HIS CA C 1.301 1.048 -3.757 1.00 . A A . 27 HIS CA 1 1 9 5094 1 1 27 HIS CB C 0.529 1.749 -2.642 1.00 . A A . 27 HIS CB 1 1 9 5095 1 1 27 HIS CD2 C 1.717 2.206 -0.356 1.00 . A A . 27 HIS CD2 1 1 9 5096 1 1 27 HIS CE1 C 2.862 3.913 -0.906 1.00 . A A . 27 HIS CE1 1 1 9 5097 1 1 27 HIS CG C 1.429 2.445 -1.669 1.00 . A A . 27 HIS CG 1 1 9 5098 1 1 27 HIS H H -0.600 0.246 -4.254 1.00 . A A . 27 HIS H 1 1 9 5099 1 1 27 HIS HA H 1.786 1.803 -4.378 1.00 . A A . 27 HIS HA 1 1 9 5100 1 1 27 HIS HB2 H -0.143 2.483 -3.086 1.00 . A A . 27 HIS HB2 1 1 9 5101 1 1 27 HIS HB3 H -0.063 1.010 -2.103 1.00 . A A . 27 HIS HB3 1 1 9 5102 1 1 27 HIS HD1 H 2.217 4.011 -2.911 1.00 . A A . 27 HIS HD1 1 1 9 5103 1 1 27 HIS HD2 H 1.289 1.398 0.217 1.00 . A A . 27 HIS HD2 1 1 9 5104 1 1 27 HIS HE1 H 3.539 4.753 -0.876 1.00 . A A . 27 HIS HE1 1 1 9 5105 1 1 27 HIS N N 0.360 0.306 -4.570 1.00 . A A . 27 HIS N 1 1 9 5106 1 1 27 HIS ND1 N 2.184 3.557 -2.010 1.00 . A A . 27 HIS ND1 1 1 9 5107 1 1 27 HIS NE2 N 2.621 3.127 0.147 1.00 . A A . 27 HIS NE2 1 1 9 5108 1 1 27 HIS O O 3.565 0.347 -3.388 1.00 . A A . 27 HIS O 1 1 9 5109 1 1 28 LYS C C 3.653 -2.628 -2.889 1.00 . A A . 28 LYS C 1 1 9 5110 1 1 28 LYS CA C 2.887 -1.844 -1.825 1.00 . A A . 28 LYS CA 1 1 9 5111 1 1 28 LYS CB C 2.145 -2.772 -0.852 1.00 . A A . 28 LYS CB 1 1 9 5112 1 1 28 LYS CD C 0.573 -4.698 -0.625 1.00 . A A . 28 LYS CD 1 1 9 5113 1 1 28 LYS CE C 0.515 -6.164 -1.063 1.00 . A A . 28 LYS CE 1 1 9 5114 1 1 28 LYS CG C 1.435 -3.899 -1.605 1.00 . A A . 28 LYS CG 1 1 9 5115 1 1 28 LYS H H 0.966 -1.071 -2.317 1.00 . A A . 28 LYS H 1 1 9 5116 1 1 28 LYS HA H 3.606 -1.264 -1.251 1.00 . A A . 28 LYS HA 1 1 9 5117 1 1 28 LYS HB2 H 2.864 -3.207 -0.156 1.00 . A A . 28 LYS HB2 1 1 9 5118 1 1 28 LYS HB3 H 1.411 -2.193 -0.292 1.00 . A A . 28 LYS HB3 1 1 9 5119 1 1 28 LYS HD2 H 1.004 -4.635 0.375 1.00 . A A . 28 LYS HD2 1 1 9 5120 1 1 28 LYS HD3 H -0.435 -4.281 -0.610 1.00 . A A . 28 LYS HD3 1 1 9 5121 1 1 28 LYS HE2 H -0.293 -6.665 -0.528 1.00 . A A . 28 LYS HE2 1 1 9 5122 1 1 28 LYS HE3 H 0.316 -6.212 -2.134 1.00 . A A . 28 LYS HE3 1 1 9 5123 1 1 28 LYS HG2 H 0.804 -3.480 -2.381 1.00 . A A . 28 LYS HG2 1 1 9 5124 1 1 28 LYS HG3 H 2.174 -4.555 -2.059 1.00 . A A . 28 LYS HG3 1 1 9 5125 1 1 28 LYS HZ1 H 2.560 -6.338 -1.181 1.00 . A A . 28 LYS HZ1 1 1 9 5126 1 1 28 LYS HZ2 H 1.918 -6.917 0.226 1.00 . A A . 28 LYS HZ2 1 1 9 5127 1 1 28 LYS HZ3 H 1.763 -7.786 -1.165 1.00 . A A . 28 LYS HZ3 1 1 9 5128 1 1 28 LYS N N 1.954 -0.919 -2.449 1.00 . A A . 28 LYS N 1 1 9 5129 1 1 28 LYS NZ N 1.787 -6.857 -0.773 1.00 . A A . 28 LYS NZ 1 1 9 5130 1 1 28 LYS O O 4.814 -2.946 -2.691 1.00 . A A . 28 LYS O 1 1 9 5131 1 1 29 HIS C C 4.951 -2.905 -5.486 1.00 . A A . 29 HIS C 1 1 9 5132 1 1 29 HIS CA C 3.669 -3.642 -5.106 1.00 . A A . 29 HIS CA 1 1 9 5133 1 1 29 HIS CB C 2.724 -3.748 -6.308 1.00 . A A . 29 HIS CB 1 1 9 5134 1 1 29 HIS CD2 C 3.364 -3.788 -8.863 1.00 . A A . 29 HIS CD2 1 1 9 5135 1 1 29 HIS CE1 C 4.763 -5.396 -8.841 1.00 . A A . 29 HIS CE1 1 1 9 5136 1 1 29 HIS CG C 3.424 -4.213 -7.560 1.00 . A A . 29 HIS CG 1 1 9 5137 1 1 29 HIS H H 2.042 -2.655 -4.144 1.00 . A A . 29 HIS H 1 1 9 5138 1 1 29 HIS HA H 3.924 -4.647 -4.766 1.00 . A A . 29 HIS HA 1 1 9 5139 1 1 29 HIS HB2 H 1.928 -4.453 -6.069 1.00 . A A . 29 HIS HB2 1 1 9 5140 1 1 29 HIS HB3 H 2.284 -2.771 -6.498 1.00 . A A . 29 HIS HB3 1 1 9 5141 1 1 29 HIS HD1 H 4.632 -5.811 -6.774 1.00 . A A . 29 HIS HD1 1 1 9 5142 1 1 29 HIS HD2 H 2.740 -2.977 -9.207 1.00 . A A . 29 HIS HD2 1 1 9 5143 1 1 29 HIS HE1 H 5.486 -6.137 -9.150 1.00 . A A . 29 HIS HE1 1 1 9 5144 1 1 29 HIS N N 3.009 -2.930 -4.023 1.00 . A A . 29 HIS N 1 1 9 5145 1 1 29 HIS ND1 N 4.339 -5.260 -7.568 1.00 . A A . 29 HIS ND1 1 1 9 5146 1 1 29 HIS NE2 N 4.204 -4.526 -9.684 1.00 . A A . 29 HIS NE2 1 1 9 5147 1 1 29 HIS O O 5.984 -3.530 -5.704 1.00 . A A . 29 HIS O 1 1 9 5148 1 1 30 LYS C C 7.135 -0.918 -4.849 1.00 . A A . 30 LYS C 1 1 9 5149 1 1 30 LYS CA C 6.029 -0.752 -5.900 1.00 . A A . 30 LYS CA 1 1 9 5150 1 1 30 LYS CB C 5.590 0.712 -6.010 1.00 . A A . 30 LYS CB 1 1 9 5151 1 1 30 LYS CD C 6.105 2.917 -7.095 1.00 . A A . 30 LYS CD 1 1 9 5152 1 1 30 LYS CE C 5.991 3.701 -5.782 1.00 . A A . 30 LYS CE 1 1 9 5153 1 1 30 LYS CG C 6.624 1.501 -6.820 1.00 . A A . 30 LYS CG 1 1 9 5154 1 1 30 LYS H H 4.000 -1.105 -5.363 1.00 . A A . 30 LYS H 1 1 9 5155 1 1 30 LYS HA H 6.410 -1.079 -6.867 1.00 . A A . 30 LYS HA 1 1 9 5156 1 1 30 LYS HB2 H 4.623 0.763 -6.513 1.00 . A A . 30 LYS HB2 1 1 9 5157 1 1 30 LYS HB3 H 5.501 1.143 -5.012 1.00 . A A . 30 LYS HB3 1 1 9 5158 1 1 30 LYS HD2 H 6.797 3.429 -7.764 1.00 . A A . 30 LYS HD2 1 1 9 5159 1 1 30 LYS HD3 H 5.124 2.858 -7.571 1.00 . A A . 30 LYS HD3 1 1 9 5160 1 1 30 LYS HE2 H 5.048 3.450 -5.294 1.00 . A A . 30 LYS HE2 1 1 9 5161 1 1 30 LYS HE3 H 6.817 3.427 -5.126 1.00 . A A . 30 LYS HE3 1 1 9 5162 1 1 30 LYS HG2 H 7.560 1.558 -6.262 1.00 . A A . 30 LYS HG2 1 1 9 5163 1 1 30 LYS HG3 H 6.801 0.995 -7.769 1.00 . A A . 30 LYS HG3 1 1 9 5164 1 1 30 LYS HZ1 H 5.316 5.408 -6.691 1.00 . A A . 30 LYS HZ1 1 1 9 5165 1 1 30 LYS HZ2 H 5.891 5.650 -5.165 1.00 . A A . 30 LYS HZ2 1 1 9 5166 1 1 30 LYS HZ3 H 6.946 5.400 -6.412 1.00 . A A . 30 LYS HZ3 1 1 9 5167 1 1 30 LYS N N 4.879 -1.569 -5.555 1.00 . A A . 30 LYS N 1 1 9 5168 1 1 30 LYS NZ N 6.037 5.153 -6.031 1.00 . A A . 30 LYS NZ 1 1 9 5169 1 1 30 LYS O O 8.314 -0.930 -5.198 1.00 . A A . 30 LYS O 1 1 9 5170 1 1 31 HIS C C 8.372 -2.593 -2.569 1.00 . A A . 31 HIS C 1 1 9 5171 1 1 31 HIS CA C 7.718 -1.213 -2.483 1.00 . A A . 31 HIS CA 1 1 9 5172 1 1 31 HIS CB C 7.017 -1.032 -1.132 1.00 . A A . 31 HIS CB 1 1 9 5173 1 1 31 HIS CD2 C 5.398 0.935 -0.455 1.00 . A A . 31 HIS CD2 1 1 9 5174 1 1 31 HIS CE1 C 6.719 2.578 -0.782 1.00 . A A . 31 HIS CE1 1 1 9 5175 1 1 31 HIS CG C 6.580 0.388 -0.892 1.00 . A A . 31 HIS CG 1 1 9 5176 1 1 31 HIS H H 5.770 -1.032 -3.335 1.00 . A A . 31 HIS H 1 1 9 5177 1 1 31 HIS HA H 8.493 -0.453 -2.582 1.00 . A A . 31 HIS HA 1 1 9 5178 1 1 31 HIS HB2 H 6.144 -1.681 -1.092 1.00 . A A . 31 HIS HB2 1 1 9 5179 1 1 31 HIS HB3 H 7.705 -1.323 -0.338 1.00 . A A . 31 HIS HB3 1 1 9 5180 1 1 31 HIS HD1 H 8.380 1.443 -1.421 1.00 . A A . 31 HIS HD1 1 1 9 5181 1 1 31 HIS HD2 H 4.517 0.359 -0.199 1.00 . A A . 31 HIS HD2 1 1 9 5182 1 1 31 HIS HE1 H 7.124 3.577 -0.846 1.00 . A A . 31 HIS HE1 1 1 9 5183 1 1 31 HIS N N 6.754 -1.047 -3.568 1.00 . A A . 31 HIS N 1 1 9 5184 1 1 31 HIS ND1 N 7.423 1.475 -1.097 1.00 . A A . 31 HIS ND1 1 1 9 5185 1 1 31 HIS NE2 N 5.474 2.318 -0.380 1.00 . A A . 31 HIS NE2 1 1 9 5186 1 1 31 HIS O O 9.594 -2.701 -2.543 1.00 . A A . 31 HIS O 1 1 9 5187 1 1 32 GLU C C 8.975 -5.118 -4.015 1.00 . A A . 32 GLU C 1 1 9 5188 1 1 32 GLU CA C 8.069 -5.006 -2.784 1.00 . A A . 32 GLU CA 1 1 9 5189 1 1 32 GLU CB C 6.900 -6.000 -2.883 1.00 . A A . 32 GLU CB 1 1 9 5190 1 1 32 GLU CD C 5.355 -5.397 -0.969 1.00 . A A . 32 GLU CD 1 1 9 5191 1 1 32 GLU CG C 6.399 -6.382 -1.480 1.00 . A A . 32 GLU CG 1 1 9 5192 1 1 32 GLU H H 6.555 -3.507 -2.675 1.00 . A A . 32 GLU H 1 1 9 5193 1 1 32 GLU HA H 8.658 -5.235 -1.897 1.00 . A A . 32 GLU HA 1 1 9 5194 1 1 32 GLU HB2 H 6.084 -5.551 -3.452 1.00 . A A . 32 GLU HB2 1 1 9 5195 1 1 32 GLU HB3 H 7.240 -6.901 -3.395 1.00 . A A . 32 GLU HB3 1 1 9 5196 1 1 32 GLU HG2 H 5.953 -7.376 -1.524 1.00 . A A . 32 GLU HG2 1 1 9 5197 1 1 32 GLU HG3 H 7.240 -6.405 -0.788 1.00 . A A . 32 GLU HG3 1 1 9 5198 1 1 32 GLU N N 7.557 -3.646 -2.673 1.00 . A A . 32 GLU N 1 1 9 5199 1 1 32 GLU O O 9.985 -5.818 -3.978 1.00 . A A . 32 GLU O 1 1 9 5200 1 1 32 GLU OE1 O 5.767 -4.409 -0.325 1.00 . A A . 32 GLU OE1 1 1 9 5201 1 1 32 GLU OE2 O 4.158 -5.657 -1.230 1.00 . A A . 32 GLU OE2 1 1 9 5202 1 1 33 MET C C 10.738 -3.770 -6.113 1.00 . A A . 33 MET C 1 1 9 5203 1 1 33 MET CA C 9.386 -4.448 -6.332 1.00 . A A . 33 MET CA 1 1 9 5204 1 1 33 MET CB C 8.601 -3.736 -7.439 1.00 . A A . 33 MET CB 1 1 9 5205 1 1 33 MET CE C 8.012 -1.685 -9.840 1.00 . A A . 33 MET CE 1 1 9 5206 1 1 33 MET CG C 9.348 -3.856 -8.770 1.00 . A A . 33 MET CG 1 1 9 5207 1 1 33 MET H H 7.766 -3.869 -5.081 1.00 . A A . 33 MET H 1 1 9 5208 1 1 33 MET HA H 9.554 -5.486 -6.627 1.00 . A A . 33 MET HA 1 1 9 5209 1 1 33 MET HB2 H 7.618 -4.194 -7.537 1.00 . A A . 33 MET HB2 1 1 9 5210 1 1 33 MET HB3 H 8.487 -2.681 -7.182 1.00 . A A . 33 MET HB3 1 1 9 5211 1 1 33 MET HE1 H 8.953 -1.154 -9.701 1.00 . A A . 33 MET HE1 1 1 9 5212 1 1 33 MET HE2 H 7.459 -1.236 -10.665 1.00 . A A . 33 MET HE2 1 1 9 5213 1 1 33 MET HE3 H 7.419 -1.621 -8.930 1.00 . A A . 33 MET HE3 1 1 9 5214 1 1 33 MET HG2 H 10.218 -3.202 -8.742 1.00 . A A . 33 MET HG2 1 1 9 5215 1 1 33 MET HG3 H 9.690 -4.884 -8.885 1.00 . A A . 33 MET HG3 1 1 9 5216 1 1 33 MET N N 8.609 -4.427 -5.104 1.00 . A A . 33 MET N 1 1 9 5217 1 1 33 MET O O 11.782 -4.377 -6.345 1.00 . A A . 33 MET O 1 1 9 5218 1 1 33 MET SD S 8.349 -3.423 -10.219 1.00 . A A . 33 MET SD 1 1 9 5219 1 1 34 THR C C 11.540 -0.457 -4.687 1.00 . A A . 34 THR C 1 1 9 5220 1 1 34 THR CA C 11.918 -1.730 -5.459 1.00 . A A . 34 THR CA 1 1 9 5221 1 1 34 THR CB C 12.592 -1.440 -6.826 1.00 . A A . 34 THR CB 1 1 9 5222 1 1 34 THR CG2 C 11.626 -0.710 -7.775 1.00 . A A . 34 THR CG2 1 1 9 5223 1 1 34 THR H H 9.826 -2.055 -5.488 1.00 . A A . 34 THR H 1 1 9 5224 1 1 34 THR HA H 12.606 -2.315 -4.847 1.00 . A A . 34 THR HA 1 1 9 5225 1 1 34 THR HB H 12.882 -2.385 -7.283 1.00 . A A . 34 THR HB 1 1 9 5226 1 1 34 THR HG1 H 14.254 -0.652 -7.460 1.00 . A A . 34 THR HG1 1 1 9 5227 1 1 34 THR HG21 H 10.657 -1.202 -7.766 1.00 . A A . 34 THR HG21 1 1 9 5228 1 1 34 THR HG22 H 11.507 0.323 -7.461 1.00 . A A . 34 THR HG22 1 1 9 5229 1 1 34 THR HG23 H 12.031 -0.732 -8.787 1.00 . A A . 34 THR HG23 1 1 9 5230 1 1 34 THR N N 10.713 -2.504 -5.676 1.00 . A A . 34 THR N 1 1 9 5231 1 1 34 THR O O 10.785 -0.527 -3.725 1.00 . A A . 34 THR O 1 1 9 5232 1 1 34 THR OG1 O 13.754 -0.655 -6.640 1.00 . A A . 34 THR OG1 1 1 9 5233 1 1 35 LEU C C 11.658 3.062 -5.508 1.00 . A A . 35 LEU C 1 1 9 5234 1 1 35 LEU CA C 11.768 1.961 -4.448 1.00 . A A . 35 LEU CA 1 1 9 5235 1 1 35 LEU CB C 12.881 2.249 -3.423 1.00 . A A . 35 LEU CB 1 1 9 5236 1 1 35 LEU CD1 C 13.626 1.758 -1.085 1.00 . A A . 35 LEU CD1 1 1 9 5237 1 1 35 LEU CD2 C 11.470 2.962 -1.468 1.00 . A A . 35 LEU CD2 1 1 9 5238 1 1 35 LEU CG C 12.411 1.878 -2.008 1.00 . A A . 35 LEU CG 1 1 9 5239 1 1 35 LEU H H 12.675 0.701 -5.902 1.00 . A A . 35 LEU H 1 1 9 5240 1 1 35 LEU HA H 10.814 1.885 -3.929 1.00 . A A . 35 LEU HA 1 1 9 5241 1 1 35 LEU HB2 H 13.757 1.651 -3.678 1.00 . A A . 35 LEU HB2 1 1 9 5242 1 1 35 LEU HB3 H 13.147 3.302 -3.445 1.00 . A A . 35 LEU HB3 1 1 9 5243 1 1 35 LEU HD11 H 14.169 2.704 -1.073 1.00 . A A . 35 LEU HD11 1 1 9 5244 1 1 35 LEU HD12 H 13.294 1.517 -0.076 1.00 . A A . 35 LEU HD12 1 1 9 5245 1 1 35 LEU HD13 H 14.283 0.968 -1.448 1.00 . A A . 35 LEU HD13 1 1 9 5246 1 1 35 LEU HD21 H 11.992 3.919 -1.447 1.00 . A A . 35 LEU HD21 1 1 9 5247 1 1 35 LEU HD22 H 10.594 3.041 -2.109 1.00 . A A . 35 LEU HD22 1 1 9 5248 1 1 35 LEU HD23 H 11.155 2.698 -0.458 1.00 . A A . 35 LEU HD23 1 1 9 5249 1 1 35 LEU HG H 11.888 0.924 -2.035 1.00 . A A . 35 LEU HG 1 1 9 5250 1 1 35 LEU N N 12.058 0.696 -5.103 1.00 . A A . 35 LEU N 1 1 9 5251 1 1 35 LEU O O 12.255 4.129 -5.384 1.00 . A A . 35 LEU O 1 1 9 5252 1 1 36 LYS C C 9.847 4.919 -7.104 1.00 . A A . 36 LYS C 1 1 9 5253 1 1 36 LYS CA C 10.669 3.745 -7.634 1.00 . A A . 36 LYS CA 1 1 9 5254 1 1 36 LYS CB C 9.954 3.041 -8.795 1.00 . A A . 36 LYS CB 1 1 9 5255 1 1 36 LYS CD C 9.379 3.132 -11.225 1.00 . A A . 36 LYS CD 1 1 9 5256 1 1 36 LYS CE C 9.629 3.870 -12.546 1.00 . A A . 36 LYS CE 1 1 9 5257 1 1 36 LYS CG C 9.979 3.919 -10.052 1.00 . A A . 36 LYS CG 1 1 9 5258 1 1 36 LYS H H 10.410 1.895 -6.618 1.00 . A A . 36 LYS H 1 1 9 5259 1 1 36 LYS HA H 11.638 4.110 -7.980 1.00 . A A . 36 LYS HA 1 1 9 5260 1 1 36 LYS HB2 H 10.461 2.099 -9.007 1.00 . A A . 36 LYS HB2 1 1 9 5261 1 1 36 LYS HB3 H 8.921 2.836 -8.516 1.00 . A A . 36 LYS HB3 1 1 9 5262 1 1 36 LYS HD2 H 9.846 2.147 -11.272 1.00 . A A . 36 LYS HD2 1 1 9 5263 1 1 36 LYS HD3 H 8.305 3.014 -11.071 1.00 . A A . 36 LYS HD3 1 1 9 5264 1 1 36 LYS HE2 H 10.681 4.150 -12.611 1.00 . A A . 36 LYS HE2 1 1 9 5265 1 1 36 LYS HE3 H 9.389 3.200 -13.374 1.00 . A A . 36 LYS HE3 1 1 9 5266 1 1 36 LYS HG2 H 9.393 4.822 -9.879 1.00 . A A . 36 LYS HG2 1 1 9 5267 1 1 36 LYS HG3 H 11.009 4.192 -10.284 1.00 . A A . 36 LYS HG3 1 1 9 5268 1 1 36 LYS HZ1 H 7.839 4.862 -12.402 1.00 . A A . 36 LYS HZ1 1 1 9 5269 1 1 36 LYS HZ2 H 9.146 5.797 -12.027 1.00 . A A . 36 LYS HZ2 1 1 9 5270 1 1 36 LYS HZ3 H 8.823 5.425 -13.603 1.00 . A A . 36 LYS HZ3 1 1 9 5271 1 1 36 LYS N N 10.877 2.791 -6.560 1.00 . A A . 36 LYS N 1 1 9 5272 1 1 36 LYS NZ N 8.796 5.080 -12.655 1.00 . A A . 36 LYS NZ 1 1 9 5273 1 1 36 LYS O O 8.708 4.734 -6.672 1.00 . A A . 36 LYS O 1 1 9 5274 1 1 37 PHE C C 8.365 7.435 -7.285 1.00 . A A . 37 PHE C 1 1 9 5275 1 1 37 PHE CA C 9.753 7.326 -6.650 1.00 . A A . 37 PHE CA 1 1 9 5276 1 1 37 PHE CB C 10.610 8.565 -6.962 1.00 . A A . 37 PHE CB 1 1 9 5277 1 1 37 PHE CD1 C 12.292 8.040 -8.786 1.00 . A A . 37 PHE CD1 1 1 9 5278 1 1 37 PHE CD2 C 10.311 9.338 -9.360 1.00 . A A . 37 PHE CD2 1 1 9 5279 1 1 37 PHE CE1 C 12.727 8.116 -10.120 1.00 . A A . 37 PHE CE1 1 1 9 5280 1 1 37 PHE CE2 C 10.748 9.412 -10.693 1.00 . A A . 37 PHE CE2 1 1 9 5281 1 1 37 PHE CG C 11.081 8.648 -8.403 1.00 . A A . 37 PHE CG 1 1 9 5282 1 1 37 PHE CZ C 11.955 8.801 -11.074 1.00 . A A . 37 PHE CZ 1 1 9 5283 1 1 37 PHE H H 11.363 6.219 -7.496 1.00 . A A . 37 PHE H 1 1 9 5284 1 1 37 PHE HA H 9.634 7.249 -5.568 1.00 . A A . 37 PHE HA 1 1 9 5285 1 1 37 PHE HB2 H 10.026 9.458 -6.733 1.00 . A A . 37 PHE HB2 1 1 9 5286 1 1 37 PHE HB3 H 11.485 8.552 -6.311 1.00 . A A . 37 PHE HB3 1 1 9 5287 1 1 37 PHE HD1 H 12.890 7.515 -8.055 1.00 . A A . 37 PHE HD1 1 1 9 5288 1 1 37 PHE HD2 H 9.384 9.808 -9.070 1.00 . A A . 37 PHE HD2 1 1 9 5289 1 1 37 PHE HE1 H 13.657 7.649 -10.412 1.00 . A A . 37 PHE HE1 1 1 9 5290 1 1 37 PHE HE2 H 10.155 9.938 -11.427 1.00 . A A . 37 PHE HE2 1 1 9 5291 1 1 37 PHE HZ H 12.290 8.859 -12.099 1.00 . A A . 37 PHE HZ 1 1 9 5292 1 1 37 PHE N N 10.427 6.126 -7.132 1.00 . A A . 37 PHE N 1 1 9 5293 1 1 37 PHE O O 7.376 7.654 -6.587 1.00 . A A . 37 PHE O 1 1 9 5294 1 1 38 GLY C C 7.271 6.820 -10.751 1.00 . A A . 38 GLY C 1 1 9 5295 1 1 38 GLY CA C 7.048 7.329 -9.336 1.00 . A A . 38 GLY CA 1 1 9 5296 1 1 38 GLY H H 9.144 7.095 -9.131 1.00 . A A . 38 GLY H 1 1 9 5297 1 1 38 GLY HA2 H 6.303 6.708 -8.838 1.00 . A A . 38 GLY HA2 1 1 9 5298 1 1 38 GLY HA3 H 6.696 8.361 -9.372 1.00 . A A . 38 GLY HA3 1 1 9 5299 1 1 38 GLY N N 8.297 7.270 -8.606 1.00 . A A . 38 GLY N 1 1 9 5300 1 1 38 GLY O O 6.738 5.723 -11.033 1.00 . A A . 38 GLY O 1 1 9 5301 1 1 38 GLY OXT O 8.256 7.303 -11.353 1.00 . A A . 38 GLY OXT 1 1 10 5302 1 1 1 MET C C -12.832 -2.186 -1.145 1.00 . A A . 1 MET C 1 1 10 5303 1 1 1 MET CA C -12.229 -3.581 -0.963 1.00 . A A . 1 MET CA 1 1 10 5304 1 1 1 MET CB C -13.258 -4.693 -1.221 1.00 . A A . 1 MET CB 1 1 10 5305 1 1 1 MET CE C -14.423 -6.133 -4.978 1.00 . A A . 1 MET CE 1 1 10 5306 1 1 1 MET CG C -13.304 -5.026 -2.717 1.00 . A A . 1 MET CG 1 1 10 5307 1 1 1 MET H1 H -11.025 -2.958 0.564 1.00 . A A . 1 MET H1 1 1 10 5308 1 1 1 MET H2 H -12.451 -3.616 1.073 1.00 . A A . 1 MET H2 1 1 10 5309 1 1 1 MET H3 H -11.232 -4.597 0.511 1.00 . A A . 1 MET H3 1 1 10 5310 1 1 1 MET HA H -11.406 -3.697 -1.667 1.00 . A A . 1 MET HA 1 1 10 5311 1 1 1 MET HB2 H -12.970 -5.587 -0.668 1.00 . A A . 1 MET HB2 1 1 10 5312 1 1 1 MET HB3 H -14.244 -4.369 -0.885 1.00 . A A . 1 MET HB3 1 1 10 5313 1 1 1 MET HE1 H -13.478 -6.659 -5.118 1.00 . A A . 1 MET HE1 1 1 10 5314 1 1 1 MET HE2 H -15.226 -6.696 -5.454 1.00 . A A . 1 MET HE2 1 1 10 5315 1 1 1 MET HE3 H -14.358 -5.142 -5.426 1.00 . A A . 1 MET HE3 1 1 10 5316 1 1 1 MET HG2 H -13.287 -4.099 -3.288 1.00 . A A . 1 MET HG2 1 1 10 5317 1 1 1 MET HG3 H -12.417 -5.605 -2.970 1.00 . A A . 1 MET HG3 1 1 10 5318 1 1 1 MET N N -11.691 -3.698 0.402 1.00 . A A . 1 MET N 1 1 10 5319 1 1 1 MET O O -12.257 -1.212 -0.665 1.00 . A A . 1 MET O 1 1 10 5320 1 1 1 MET SD S -14.767 -5.973 -3.208 1.00 . A A . 1 MET SD 1 1 10 5321 1 1 2 SER C C -15.392 -0.448 -0.732 1.00 . A A . 2 SER C 1 1 10 5322 1 1 2 SER CA C -14.651 -0.807 -2.019 1.00 . A A . 2 SER CA 1 1 10 5323 1 1 2 SER CB C -15.610 -0.911 -3.210 1.00 . A A . 2 SER CB 1 1 10 5324 1 1 2 SER H H -14.413 -2.910 -2.211 1.00 . A A . 2 SER H 1 1 10 5325 1 1 2 SER HA H -13.906 -0.039 -2.230 1.00 . A A . 2 SER HA 1 1 10 5326 1 1 2 SER HB2 H -15.072 -1.298 -4.076 1.00 . A A . 2 SER HB2 1 1 10 5327 1 1 2 SER HB3 H -16.429 -1.588 -2.963 1.00 . A A . 2 SER HB3 1 1 10 5328 1 1 2 SER HG H -15.399 0.955 -3.716 1.00 . A A . 2 SER HG 1 1 10 5329 1 1 2 SER N N -13.983 -2.083 -1.825 1.00 . A A . 2 SER N 1 1 10 5330 1 1 2 SER O O -16.612 -0.595 -0.649 1.00 . A A . 2 SER O 1 1 10 5331 1 1 2 SER OG O -16.130 0.365 -3.517 1.00 . A A . 2 SER OG 1 1 10 5332 1 1 3 ASP C C -14.413 1.512 2.186 1.00 . A A . 3 ASP C 1 1 10 5333 1 1 3 ASP CA C -15.199 0.349 1.575 1.00 . A A . 3 ASP CA 1 1 10 5334 1 1 3 ASP CB C -15.154 -0.897 2.474 1.00 . A A . 3 ASP CB 1 1 10 5335 1 1 3 ASP CG C -13.749 -1.488 2.530 1.00 . A A . 3 ASP CG 1 1 10 5336 1 1 3 ASP H H -13.642 0.119 0.143 1.00 . A A . 3 ASP H 1 1 10 5337 1 1 3 ASP HA H -16.238 0.657 1.450 1.00 . A A . 3 ASP HA 1 1 10 5338 1 1 3 ASP HB2 H -15.470 -0.628 3.482 1.00 . A A . 3 ASP HB2 1 1 10 5339 1 1 3 ASP HB3 H -15.839 -1.646 2.077 1.00 . A A . 3 ASP HB3 1 1 10 5340 1 1 3 ASP N N -14.642 0.008 0.275 1.00 . A A . 3 ASP N 1 1 10 5341 1 1 3 ASP O O -13.540 2.086 1.533 1.00 . A A . 3 ASP O 1 1 10 5342 1 1 3 ASP OD1 O -12.879 -0.820 3.121 1.00 . A A . 3 ASP OD1 1 1 10 5343 1 1 3 ASP OD2 O -13.573 -2.599 1.978 1.00 . A A . 3 ASP OD2 1 1 10 5344 1 1 4 ASP C C -13.053 2.459 5.145 1.00 . A A . 4 ASP C 1 1 10 5345 1 1 4 ASP CA C -14.094 2.969 4.140 1.00 . A A . 4 ASP CA 1 1 10 5346 1 1 4 ASP CB C -15.173 3.787 4.861 1.00 . A A . 4 ASP CB 1 1 10 5347 1 1 4 ASP CG C -15.819 2.977 5.982 1.00 . A A . 4 ASP CG 1 1 10 5348 1 1 4 ASP H H -15.459 1.350 3.931 1.00 . A A . 4 ASP H 1 1 10 5349 1 1 4 ASP HA H -13.596 3.611 3.415 1.00 . A A . 4 ASP HA 1 1 10 5350 1 1 4 ASP HB2 H -14.720 4.684 5.283 1.00 . A A . 4 ASP HB2 1 1 10 5351 1 1 4 ASP HB3 H -15.940 4.079 4.143 1.00 . A A . 4 ASP HB3 1 1 10 5352 1 1 4 ASP N N -14.736 1.863 3.440 1.00 . A A . 4 ASP N 1 1 10 5353 1 1 4 ASP O O -12.564 3.233 5.967 1.00 . A A . 4 ASP O 1 1 10 5354 1 1 4 ASP OD1 O -16.376 1.902 5.660 1.00 . A A . 4 ASP OD1 1 1 10 5355 1 1 4 ASP OD2 O -15.745 3.446 7.138 1.00 . A A . 4 ASP OD2 1 1 10 5356 1 1 5 LYS C C -10.349 1.156 5.696 1.00 . A A . 5 LYS C 1 1 10 5357 1 1 5 LYS CA C -11.743 0.590 6.012 1.00 . A A . 5 LYS CA 1 1 10 5358 1 1 5 LYS CB C -11.768 -0.944 5.875 1.00 . A A . 5 LYS CB 1 1 10 5359 1 1 5 LYS CD C -9.617 -1.835 6.822 1.00 . A A . 5 LYS CD 1 1 10 5360 1 1 5 LYS CE C -8.909 -2.215 8.124 1.00 . A A . 5 LYS CE 1 1 10 5361 1 1 5 LYS CG C -11.108 -1.607 7.092 1.00 . A A . 5 LYS CG 1 1 10 5362 1 1 5 LYS H H -13.127 0.558 4.389 1.00 . A A . 5 LYS H 1 1 10 5363 1 1 5 LYS HA H -12.030 0.856 7.025 1.00 . A A . 5 LYS HA 1 1 10 5364 1 1 5 LYS HB2 H -12.805 -1.278 5.809 1.00 . A A . 5 LYS HB2 1 1 10 5365 1 1 5 LYS HB3 H -11.239 -1.238 4.970 1.00 . A A . 5 LYS HB3 1 1 10 5366 1 1 5 LYS HD2 H -9.500 -2.640 6.096 1.00 . A A . 5 LYS HD2 1 1 10 5367 1 1 5 LYS HD3 H -9.174 -0.927 6.424 1.00 . A A . 5 LYS HD3 1 1 10 5368 1 1 5 LYS HE2 H -9.177 -1.501 8.902 1.00 . A A . 5 LYS HE2 1 1 10 5369 1 1 5 LYS HE3 H -9.226 -3.213 8.428 1.00 . A A . 5 LYS HE3 1 1 10 5370 1 1 5 LYS HG2 H -11.230 -0.969 7.966 1.00 . A A . 5 LYS HG2 1 1 10 5371 1 1 5 LYS HG3 H -11.588 -2.568 7.281 1.00 . A A . 5 LYS HG3 1 1 10 5372 1 1 5 LYS HZ1 H -7.189 -2.853 7.218 1.00 . A A . 5 LYS HZ1 1 1 10 5373 1 1 5 LYS HZ2 H -7.146 -1.269 7.689 1.00 . A A . 5 LYS HZ2 1 1 10 5374 1 1 5 LYS HZ3 H -7.000 -2.473 8.812 1.00 . A A . 5 LYS HZ3 1 1 10 5375 1 1 5 LYS N N -12.710 1.164 5.089 1.00 . A A . 5 LYS N 1 1 10 5376 1 1 5 LYS NZ N -7.446 -2.203 7.947 1.00 . A A . 5 LYS NZ 1 1 10 5377 1 1 5 LYS O O -9.891 1.044 4.566 1.00 . A A . 5 LYS O 1 1 10 5378 1 1 6 PRO C C -7.297 1.224 6.317 1.00 . A A . 6 PRO C 1 1 10 5379 1 1 6 PRO CA C -8.344 2.333 6.473 1.00 . A A . 6 PRO CA 1 1 10 5380 1 1 6 PRO CB C -8.060 3.179 7.713 1.00 . A A . 6 PRO CB 1 1 10 5381 1 1 6 PRO CD C -10.163 1.956 8.032 1.00 . A A . 6 PRO CD 1 1 10 5382 1 1 6 PRO CG C -9.105 2.785 8.762 1.00 . A A . 6 PRO CG 1 1 10 5383 1 1 6 PRO HA H -8.348 2.968 5.586 1.00 . A A . 6 PRO HA 1 1 10 5384 1 1 6 PRO HB2 H -7.056 2.979 8.087 1.00 . A A . 6 PRO HB2 1 1 10 5385 1 1 6 PRO HB3 H -8.162 4.236 7.470 1.00 . A A . 6 PRO HB3 1 1 10 5386 1 1 6 PRO HD2 H -10.287 0.992 8.525 1.00 . A A . 6 PRO HD2 1 1 10 5387 1 1 6 PRO HD3 H -11.109 2.496 8.016 1.00 . A A . 6 PRO HD3 1 1 10 5388 1 1 6 PRO HG2 H -8.639 2.186 9.545 1.00 . A A . 6 PRO HG2 1 1 10 5389 1 1 6 PRO HG3 H -9.559 3.676 9.195 1.00 . A A . 6 PRO HG3 1 1 10 5390 1 1 6 PRO N N -9.664 1.773 6.682 1.00 . A A . 6 PRO N 1 1 10 5391 1 1 6 PRO O O -7.045 0.468 7.258 1.00 . A A . 6 PRO O 1 1 10 5392 1 1 7 PHE C C -4.278 0.857 4.966 1.00 . A A . 7 PHE C 1 1 10 5393 1 1 7 PHE CA C -5.631 0.161 4.862 1.00 . A A . 7 PHE CA 1 1 10 5394 1 1 7 PHE CB C -5.826 -0.439 3.469 1.00 . A A . 7 PHE CB 1 1 10 5395 1 1 7 PHE CD1 C -7.176 -2.565 3.682 1.00 . A A . 7 PHE CD1 1 1 10 5396 1 1 7 PHE CD2 C -8.265 -0.555 2.852 1.00 . A A . 7 PHE CD2 1 1 10 5397 1 1 7 PHE CE1 C -8.384 -3.272 3.561 1.00 . A A . 7 PHE CE1 1 1 10 5398 1 1 7 PHE CE2 C -9.474 -1.261 2.731 1.00 . A A . 7 PHE CE2 1 1 10 5399 1 1 7 PHE CG C -7.118 -1.206 3.328 1.00 . A A . 7 PHE CG 1 1 10 5400 1 1 7 PHE CZ C -9.534 -2.619 3.086 1.00 . A A . 7 PHE CZ 1 1 10 5401 1 1 7 PHE H H -6.939 1.776 4.386 1.00 . A A . 7 PHE H 1 1 10 5402 1 1 7 PHE HA H -5.680 -0.639 5.602 1.00 . A A . 7 PHE HA 1 1 10 5403 1 1 7 PHE HB2 H -5.812 0.367 2.734 1.00 . A A . 7 PHE HB2 1 1 10 5404 1 1 7 PHE HB3 H -4.997 -1.114 3.261 1.00 . A A . 7 PHE HB3 1 1 10 5405 1 1 7 PHE HD1 H -6.292 -3.065 4.051 1.00 . A A . 7 PHE HD1 1 1 10 5406 1 1 7 PHE HD2 H -8.221 0.492 2.588 1.00 . A A . 7 PHE HD2 1 1 10 5407 1 1 7 PHE HE1 H -8.429 -4.316 3.835 1.00 . A A . 7 PHE HE1 1 1 10 5408 1 1 7 PHE HE2 H -10.359 -0.756 2.375 1.00 . A A . 7 PHE HE2 1 1 10 5409 1 1 7 PHE HZ H -10.464 -3.160 2.998 1.00 . A A . 7 PHE HZ 1 1 10 5410 1 1 7 PHE N N -6.680 1.139 5.130 1.00 . A A . 7 PHE N 1 1 10 5411 1 1 7 PHE O O -3.884 1.575 4.053 1.00 . A A . 7 PHE O 1 1 10 5412 1 1 8 LEU C C -1.151 0.389 5.836 1.00 . A A . 8 LEU C 1 1 10 5413 1 1 8 LEU CA C -2.288 1.283 6.333 1.00 . A A . 8 LEU CA 1 1 10 5414 1 1 8 LEU CB C -2.153 1.548 7.842 1.00 . A A . 8 LEU CB 1 1 10 5415 1 1 8 LEU CD1 C -0.573 3.492 7.554 1.00 . A A . 8 LEU CD1 1 1 10 5416 1 1 8 LEU CD2 C -0.621 2.224 9.702 1.00 . A A . 8 LEU CD2 1 1 10 5417 1 1 8 LEU CG C -0.759 2.108 8.183 1.00 . A A . 8 LEU CG 1 1 10 5418 1 1 8 LEU H H -3.947 0.036 6.798 1.00 . A A . 8 LEU H 1 1 10 5419 1 1 8 LEU HA H -2.254 2.234 5.804 1.00 . A A . 8 LEU HA 1 1 10 5420 1 1 8 LEU HB2 H -2.914 2.266 8.150 1.00 . A A . 8 LEU HB2 1 1 10 5421 1 1 8 LEU HB3 H -2.304 0.613 8.385 1.00 . A A . 8 LEU HB3 1 1 10 5422 1 1 8 LEU HD11 H -1.406 4.136 7.837 1.00 . A A . 8 LEU HD11 1 1 10 5423 1 1 8 LEU HD12 H 0.360 3.930 7.909 1.00 . A A . 8 LEU HD12 1 1 10 5424 1 1 8 LEU HD13 H -0.537 3.401 6.470 1.00 . A A . 8 LEU HD13 1 1 10 5425 1 1 8 LEU HD21 H -0.749 1.239 10.155 1.00 . A A . 8 LEU HD21 1 1 10 5426 1 1 8 LEU HD22 H 0.367 2.610 9.950 1.00 . A A . 8 LEU HD22 1 1 10 5427 1 1 8 LEU HD23 H -1.383 2.901 10.087 1.00 . A A . 8 LEU HD23 1 1 10 5428 1 1 8 LEU HG H 0.010 1.433 7.807 1.00 . A A . 8 LEU HG 1 1 10 5429 1 1 8 LEU N N -3.577 0.649 6.087 1.00 . A A . 8 LEU N 1 1 10 5430 1 1 8 LEU O O -0.963 -0.717 6.339 1.00 . A A . 8 LEU O 1 1 10 5431 1 1 9 CYS C C 1.955 0.399 5.263 1.00 . A A . 9 CYS C 1 1 10 5432 1 1 9 CYS CA C 0.771 0.155 4.339 1.00 . A A . 9 CYS CA 1 1 10 5433 1 1 9 CYS CB C 1.108 0.631 2.926 1.00 . A A . 9 CYS CB 1 1 10 5434 1 1 9 CYS H H -0.592 1.789 4.462 1.00 . A A . 9 CYS H 1 1 10 5435 1 1 9 CYS HA H 0.545 -0.913 4.309 1.00 . A A . 9 CYS HA 1 1 10 5436 1 1 9 CYS HB2 H 0.287 0.399 2.255 1.00 . A A . 9 CYS HB2 1 1 10 5437 1 1 9 CYS HB3 H 1.286 1.709 2.931 1.00 . A A . 9 CYS HB3 1 1 10 5438 1 1 9 CYS N N -0.381 0.881 4.855 1.00 . A A . 9 CYS N 1 1 10 5439 1 1 9 CYS O O 2.755 1.295 5.007 1.00 . A A . 9 CYS O 1 1 10 5440 1 1 9 CYS SG S 2.606 -0.233 2.373 1.00 . A A . 9 CYS SG 1 1 10 5441 1 1 10 THR C C 4.493 -0.256 6.565 1.00 . A A . 10 THR C 1 1 10 5442 1 1 10 THR CA C 3.147 -0.257 7.294 1.00 . A A . 10 THR CA 1 1 10 5443 1 1 10 THR CB C 3.069 -1.411 8.301 1.00 . A A . 10 THR CB 1 1 10 5444 1 1 10 THR CG2 C 4.019 -1.148 9.471 1.00 . A A . 10 THR CG2 1 1 10 5445 1 1 10 THR H H 1.369 -1.112 6.497 1.00 . A A . 10 THR H 1 1 10 5446 1 1 10 THR HA H 3.029 0.688 7.828 1.00 . A A . 10 THR HA 1 1 10 5447 1 1 10 THR HB H 3.349 -2.343 7.808 1.00 . A A . 10 THR HB 1 1 10 5448 1 1 10 THR HG1 H 1.522 -0.708 9.249 1.00 . A A . 10 THR HG1 1 1 10 5449 1 1 10 THR HG21 H 3.762 -0.200 9.946 1.00 . A A . 10 THR HG21 1 1 10 5450 1 1 10 THR HG22 H 3.929 -1.954 10.200 1.00 . A A . 10 THR HG22 1 1 10 5451 1 1 10 THR HG23 H 5.045 -1.104 9.105 1.00 . A A . 10 THR HG23 1 1 10 5452 1 1 10 THR N N 2.062 -0.392 6.335 1.00 . A A . 10 THR N 1 1 10 5453 1 1 10 THR O O 4.911 -1.281 6.030 1.00 . A A . 10 THR O 1 1 10 5454 1 1 10 THR OG1 O 1.747 -1.519 8.786 1.00 . A A . 10 THR OG1 1 1 10 5455 1 1 11 ALA C C 7.215 2.193 6.558 1.00 . A A . 11 ALA C 1 1 10 5456 1 1 11 ALA CA C 6.450 1.047 5.890 1.00 . A A . 11 ALA CA 1 1 10 5457 1 1 11 ALA CB C 6.228 1.321 4.401 1.00 . A A . 11 ALA CB 1 1 10 5458 1 1 11 ALA H H 4.773 1.718 6.998 1.00 . A A . 11 ALA H 1 1 10 5459 1 1 11 ALA HA H 7.013 0.121 6.004 1.00 . A A . 11 ALA HA 1 1 10 5460 1 1 11 ALA HB1 H 5.472 2.097 4.283 1.00 . A A . 11 ALA HB1 1 1 10 5461 1 1 11 ALA HB2 H 7.161 1.650 3.945 1.00 . A A . 11 ALA HB2 1 1 10 5462 1 1 11 ALA HB3 H 5.888 0.409 3.911 1.00 . A A . 11 ALA HB3 1 1 10 5463 1 1 11 ALA N N 5.165 0.903 6.545 1.00 . A A . 11 ALA N 1 1 10 5464 1 1 11 ALA O O 6.596 3.140 7.043 1.00 . A A . 11 ALA O 1 1 10 5465 1 1 12 PRO C C 9.282 4.452 6.527 1.00 . A A . 12 PRO C 1 1 10 5466 1 1 12 PRO CA C 9.392 3.109 7.240 1.00 . A A . 12 PRO CA 1 1 10 5467 1 1 12 PRO CB C 10.817 2.562 7.152 1.00 . A A . 12 PRO CB 1 1 10 5468 1 1 12 PRO CD C 9.314 1.022 6.007 1.00 . A A . 12 PRO CD 1 1 10 5469 1 1 12 PRO CG C 10.775 1.446 6.109 1.00 . A A . 12 PRO CG 1 1 10 5470 1 1 12 PRO HA H 9.100 3.218 8.286 1.00 . A A . 12 PRO HA 1 1 10 5471 1 1 12 PRO HB2 H 11.510 3.346 6.842 1.00 . A A . 12 PRO HB2 1 1 10 5472 1 1 12 PRO HB3 H 11.120 2.156 8.118 1.00 . A A . 12 PRO HB3 1 1 10 5473 1 1 12 PRO HD2 H 9.035 0.881 4.964 1.00 . A A . 12 PRO HD2 1 1 10 5474 1 1 12 PRO HD3 H 9.152 0.103 6.572 1.00 . A A . 12 PRO HD3 1 1 10 5475 1 1 12 PRO HG2 H 11.112 1.833 5.145 1.00 . A A . 12 PRO HG2 1 1 10 5476 1 1 12 PRO HG3 H 11.397 0.608 6.419 1.00 . A A . 12 PRO HG3 1 1 10 5477 1 1 12 PRO N N 8.559 2.110 6.596 1.00 . A A . 12 PRO N 1 1 10 5478 1 1 12 PRO O O 9.611 4.556 5.346 1.00 . A A . 12 PRO O 1 1 10 5479 1 1 13 GLY C C 7.502 6.971 5.787 1.00 . A A . 13 GLY C 1 1 10 5480 1 1 13 GLY CA C 8.717 6.827 6.705 1.00 . A A . 13 GLY CA 1 1 10 5481 1 1 13 GLY H H 8.551 5.334 8.211 1.00 . A A . 13 GLY H 1 1 10 5482 1 1 13 GLY HA2 H 8.626 7.536 7.529 1.00 . A A . 13 GLY HA2 1 1 10 5483 1 1 13 GLY HA3 H 9.620 7.058 6.138 1.00 . A A . 13 GLY HA3 1 1 10 5484 1 1 13 GLY N N 8.825 5.482 7.250 1.00 . A A . 13 GLY N 1 1 10 5485 1 1 13 GLY O O 6.807 7.982 5.843 1.00 . A A . 13 GLY O 1 1 10 5486 1 1 14 CYS C C 4.807 5.941 4.736 1.00 . A A . 14 CYS C 1 1 10 5487 1 1 14 CYS CA C 6.141 6.032 3.990 1.00 . A A . 14 CYS CA 1 1 10 5488 1 1 14 CYS CB C 6.290 4.911 2.962 1.00 . A A . 14 CYS CB 1 1 10 5489 1 1 14 CYS H H 7.840 5.144 4.933 1.00 . A A . 14 CYS H 1 1 10 5490 1 1 14 CYS HA H 6.182 6.987 3.467 1.00 . A A . 14 CYS HA 1 1 10 5491 1 1 14 CYS HB2 H 7.183 5.084 2.362 1.00 . A A . 14 CYS HB2 1 1 10 5492 1 1 14 CYS HB3 H 6.375 3.956 3.470 1.00 . A A . 14 CYS HB3 1 1 10 5493 1 1 14 CYS N N 7.248 5.970 4.934 1.00 . A A . 14 CYS N 1 1 10 5494 1 1 14 CYS O O 4.085 6.928 4.816 1.00 . A A . 14 CYS O 1 1 10 5495 1 1 14 CYS SG S 4.836 4.902 1.888 1.00 . A A . 14 CYS SG 1 1 10 5496 1 1 15 GLY C C 2.052 5.225 5.415 1.00 . A A . 15 GLY C 1 1 10 5497 1 1 15 GLY CA C 3.264 4.524 6.041 1.00 . A A . 15 GLY CA 1 1 10 5498 1 1 15 GLY H H 5.130 3.978 5.177 1.00 . A A . 15 GLY H 1 1 10 5499 1 1 15 GLY HA2 H 3.071 3.455 6.087 1.00 . A A . 15 GLY HA2 1 1 10 5500 1 1 15 GLY HA3 H 3.403 4.900 7.055 1.00 . A A . 15 GLY HA3 1 1 10 5501 1 1 15 GLY N N 4.493 4.754 5.281 1.00 . A A . 15 GLY N 1 1 10 5502 1 1 15 GLY O O 1.365 5.982 6.096 1.00 . A A . 15 GLY O 1 1 10 5503 1 1 16 GLN C C -0.607 4.740 3.703 1.00 . A A . 16 GLN C 1 1 10 5504 1 1 16 GLN CA C 0.640 5.582 3.452 1.00 . A A . 16 GLN CA 1 1 10 5505 1 1 16 GLN CB C 0.921 5.708 1.954 1.00 . A A . 16 GLN CB 1 1 10 5506 1 1 16 GLN CD C 2.209 7.013 0.229 1.00 . A A . 16 GLN CD 1 1 10 5507 1 1 16 GLN CG C 1.806 6.930 1.697 1.00 . A A . 16 GLN CG 1 1 10 5508 1 1 16 GLN H H 2.367 4.344 3.596 1.00 . A A . 16 GLN H 1 1 10 5509 1 1 16 GLN HA H 0.478 6.578 3.863 1.00 . A A . 16 GLN HA 1 1 10 5510 1 1 16 GLN HB2 H 1.424 4.810 1.601 1.00 . A A . 16 GLN HB2 1 1 10 5511 1 1 16 GLN HB3 H -0.021 5.829 1.420 1.00 . A A . 16 GLN HB3 1 1 10 5512 1 1 16 GLN HE21 H 1.442 7.235 -1.641 1.00 . A A . 16 GLN HE21 1 1 10 5513 1 1 16 GLN HE22 H 0.268 7.227 -0.343 1.00 . A A . 16 GLN HE22 1 1 10 5514 1 1 16 GLN HG2 H 1.259 7.833 1.969 1.00 . A A . 16 GLN HG2 1 1 10 5515 1 1 16 GLN HG3 H 2.703 6.859 2.311 1.00 . A A . 16 GLN HG3 1 1 10 5516 1 1 16 GLN N N 1.780 4.972 4.124 1.00 . A A . 16 GLN N 1 1 10 5517 1 1 16 GLN NE2 N 1.226 7.171 -0.657 1.00 . A A . 16 GLN NE2 1 1 10 5518 1 1 16 GLN O O -0.513 3.521 3.854 1.00 . A A . 16 GLN O 1 1 10 5519 1 1 16 GLN OE1 O 3.390 6.934 -0.096 1.00 . A A . 16 GLN OE1 1 1 10 5520 1 1 17 ARG C C -4.022 5.065 2.904 1.00 . A A . 17 ARG C 1 1 10 5521 1 1 17 ARG CA C -3.040 4.734 4.010 1.00 . A A . 17 ARG CA 1 1 10 5522 1 1 17 ARG CB C -3.580 5.187 5.372 1.00 . A A . 17 ARG CB 1 1 10 5523 1 1 17 ARG CD C -6.096 5.532 5.255 1.00 . A A . 17 ARG CD 1 1 10 5524 1 1 17 ARG CG C -4.966 4.564 5.651 1.00 . A A . 17 ARG CG 1 1 10 5525 1 1 17 ARG CZ C -5.713 7.989 5.479 1.00 . A A . 17 ARG CZ 1 1 10 5526 1 1 17 ARG H H -1.780 6.397 3.598 1.00 . A A . 17 ARG H 1 1 10 5527 1 1 17 ARG HA H -2.880 3.663 4.033 1.00 . A A . 17 ARG HA 1 1 10 5528 1 1 17 ARG HB2 H -2.886 4.871 6.148 1.00 . A A . 17 ARG HB2 1 1 10 5529 1 1 17 ARG HB3 H -3.656 6.268 5.381 1.00 . A A . 17 ARG HB3 1 1 10 5530 1 1 17 ARG HD2 H -6.040 5.745 4.195 1.00 . A A . 17 ARG HD2 1 1 10 5531 1 1 17 ARG HD3 H -7.053 5.052 5.461 1.00 . A A . 17 ARG HD3 1 1 10 5532 1 1 17 ARG HE H -6.231 6.739 7.010 1.00 . A A . 17 ARG HE 1 1 10 5533 1 1 17 ARG HG2 H -5.071 3.635 5.089 1.00 . A A . 17 ARG HG2 1 1 10 5534 1 1 17 ARG HG3 H -5.046 4.342 6.716 1.00 . A A . 17 ARG HG3 1 1 10 5535 1 1 17 ARG HH11 H -5.045 7.243 3.689 1.00 . A A . 17 ARG HH11 1 1 10 5536 1 1 17 ARG HH12 H -5.090 8.986 3.806 1.00 . A A . 17 ARG HH12 1 1 10 5537 1 1 17 ARG HH21 H -6.231 9.043 7.149 1.00 . A A . 17 ARG HH21 1 1 10 5538 1 1 17 ARG HH22 H -5.628 10.001 5.816 1.00 . A A . 17 ARG HH22 1 1 10 5539 1 1 17 ARG N N -1.771 5.399 3.749 1.00 . A A . 17 ARG N 1 1 10 5540 1 1 17 ARG NE N -6.027 6.788 6.021 1.00 . A A . 17 ARG NE 1 1 10 5541 1 1 17 ARG NH1 N -5.245 8.080 4.222 1.00 . A A . 17 ARG NH1 1 1 10 5542 1 1 17 ARG NH2 N -5.869 9.101 6.207 1.00 . A A . 17 ARG NH2 1 1 10 5543 1 1 17 ARG O O -4.021 6.181 2.383 1.00 . A A . 17 ARG O 1 1 10 5544 1 1 18 PHE C C -7.184 3.689 1.958 1.00 . A A . 18 PHE C 1 1 10 5545 1 1 18 PHE CA C -5.845 4.249 1.497 1.00 . A A . 18 PHE CA 1 1 10 5546 1 1 18 PHE CB C -5.351 3.524 0.243 1.00 . A A . 18 PHE CB 1 1 10 5547 1 1 18 PHE CD1 C -2.891 3.117 0.663 1.00 . A A . 18 PHE CD1 1 1 10 5548 1 1 18 PHE CD2 C -3.527 4.723 -1.051 1.00 . A A . 18 PHE CD2 1 1 10 5549 1 1 18 PHE CE1 C -1.537 3.374 0.405 1.00 . A A . 18 PHE CE1 1 1 10 5550 1 1 18 PHE CE2 C -2.170 4.977 -1.311 1.00 . A A . 18 PHE CE2 1 1 10 5551 1 1 18 PHE CG C -3.890 3.792 -0.061 1.00 . A A . 18 PHE CG 1 1 10 5552 1 1 18 PHE CZ C -1.176 4.303 -0.582 1.00 . A A . 18 PHE CZ 1 1 10 5553 1 1 18 PHE H H -4.815 3.199 3.034 1.00 . A A . 18 PHE H 1 1 10 5554 1 1 18 PHE HA H -5.963 5.309 1.271 1.00 . A A . 18 PHE HA 1 1 10 5555 1 1 18 PHE HB2 H -5.487 2.450 0.382 1.00 . A A . 18 PHE HB2 1 1 10 5556 1 1 18 PHE HB3 H -5.954 3.845 -0.605 1.00 . A A . 18 PHE HB3 1 1 10 5557 1 1 18 PHE HD1 H -3.168 2.410 1.429 1.00 . A A . 18 PHE HD1 1 1 10 5558 1 1 18 PHE HD2 H -4.292 5.248 -1.606 1.00 . A A . 18 PHE HD2 1 1 10 5559 1 1 18 PHE HE1 H -0.774 2.862 0.968 1.00 . A A . 18 PHE HE1 1 1 10 5560 1 1 18 PHE HE2 H -1.891 5.694 -2.070 1.00 . A A . 18 PHE HE2 1 1 10 5561 1 1 18 PHE HZ H -0.134 4.502 -0.775 1.00 . A A . 18 PHE HZ 1 1 10 5562 1 1 18 PHE N N -4.861 4.089 2.553 1.00 . A A . 18 PHE N 1 1 10 5563 1 1 18 PHE O O -7.235 2.870 2.875 1.00 . A A . 18 PHE O 1 1 10 5564 1 1 19 THR C C -9.895 2.314 1.067 1.00 . A A . 19 THR C 1 1 10 5565 1 1 19 THR CA C -9.614 3.697 1.664 1.00 . A A . 19 THR CA 1 1 10 5566 1 1 19 THR CB C -10.633 4.739 1.172 1.00 . A A . 19 THR CB 1 1 10 5567 1 1 19 THR CG2 C -10.647 4.804 -0.361 1.00 . A A . 19 THR CG2 1 1 10 5568 1 1 19 THR H H -8.164 4.809 0.574 1.00 . A A . 19 THR H 1 1 10 5569 1 1 19 THR HA H -9.689 3.627 2.750 1.00 . A A . 19 THR HA 1 1 10 5570 1 1 19 THR HB H -10.361 5.718 1.567 1.00 . A A . 19 THR HB 1 1 10 5571 1 1 19 THR HG1 H -12.107 3.479 1.404 1.00 . A A . 19 THR HG1 1 1 10 5572 1 1 19 THR HG21 H -9.641 4.994 -0.731 1.00 . A A . 19 THR HG21 1 1 10 5573 1 1 19 THR HG22 H -11.010 3.861 -0.765 1.00 . A A . 19 THR HG22 1 1 10 5574 1 1 19 THR HG23 H -11.307 5.610 -0.681 1.00 . A A . 19 THR HG23 1 1 10 5575 1 1 19 THR N N -8.269 4.138 1.319 1.00 . A A . 19 THR N 1 1 10 5576 1 1 19 THR O O -10.744 1.593 1.577 1.00 . A A . 19 THR O 1 1 10 5577 1 1 19 THR OG1 O -11.922 4.400 1.637 1.00 . A A . 19 THR OG1 1 1 10 5578 1 1 20 ASN C C -8.057 -0.113 -0.650 1.00 . A A . 20 ASN C 1 1 10 5579 1 1 20 ASN CA C -9.365 0.663 -0.674 1.00 . A A . 20 ASN CA 1 1 10 5580 1 1 20 ASN CB C -9.807 0.880 -2.127 1.00 . A A . 20 ASN CB 1 1 10 5581 1 1 20 ASN CG C -11.243 1.392 -2.224 1.00 . A A . 20 ASN CG 1 1 10 5582 1 1 20 ASN H H -8.489 2.578 -0.388 1.00 . A A . 20 ASN H 1 1 10 5583 1 1 20 ASN HA H -10.127 0.087 -0.149 1.00 . A A . 20 ASN HA 1 1 10 5584 1 1 20 ASN HB2 H -9.141 1.601 -2.597 1.00 . A A . 20 ASN HB2 1 1 10 5585 1 1 20 ASN HB3 H -9.736 -0.067 -2.663 1.00 . A A . 20 ASN HB3 1 1 10 5586 1 1 20 ASN HD21 H -11.117 1.435 -4.254 1.00 . A A . 20 ASN HD21 1 1 10 5587 1 1 20 ASN HD22 H -12.645 1.965 -3.580 1.00 . A A . 20 ASN HD22 1 1 10 5588 1 1 20 ASN N N -9.182 1.950 -0.013 1.00 . A A . 20 ASN N 1 1 10 5589 1 1 20 ASN ND2 N -11.706 1.616 -3.452 1.00 . A A . 20 ASN ND2 1 1 10 5590 1 1 20 ASN O O -6.979 0.478 -0.753 1.00 . A A . 20 ASN O 1 1 10 5591 1 1 20 ASN OD1 O -11.918 1.581 -1.218 1.00 . A A . 20 ASN OD1 1 1 10 5592 1 1 21 GLU C C -6.360 -2.332 -1.931 1.00 . A A . 21 GLU C 1 1 10 5593 1 1 21 GLU CA C -6.977 -2.297 -0.529 1.00 . A A . 21 GLU CA 1 1 10 5594 1 1 21 GLU CB C -7.360 -3.705 -0.054 1.00 . A A . 21 GLU CB 1 1 10 5595 1 1 21 GLU CD C -8.831 -5.692 -0.503 1.00 . A A . 21 GLU CD 1 1 10 5596 1 1 21 GLU CG C -8.309 -4.373 -1.057 1.00 . A A . 21 GLU CG 1 1 10 5597 1 1 21 GLU H H -9.058 -1.870 -0.437 1.00 . A A . 21 GLU H 1 1 10 5598 1 1 21 GLU HA H -6.245 -1.882 0.165 1.00 . A A . 21 GLU HA 1 1 10 5599 1 1 21 GLU HB2 H -6.459 -4.310 0.044 1.00 . A A . 21 GLU HB2 1 1 10 5600 1 1 21 GLU HB3 H -7.853 -3.636 0.914 1.00 . A A . 21 GLU HB3 1 1 10 5601 1 1 21 GLU HG2 H -9.148 -3.712 -1.259 1.00 . A A . 21 GLU HG2 1 1 10 5602 1 1 21 GLU HG3 H -7.774 -4.565 -1.988 1.00 . A A . 21 GLU HG3 1 1 10 5603 1 1 21 GLU N N -8.151 -1.440 -0.528 1.00 . A A . 21 GLU N 1 1 10 5604 1 1 21 GLU O O -5.183 -2.643 -2.081 1.00 . A A . 21 GLU O 1 1 10 5605 1 1 21 GLU OE1 O -8.146 -6.711 -0.725 1.00 . A A . 21 GLU OE1 1 1 10 5606 1 1 21 GLU OE2 O -9.907 -5.652 0.133 1.00 . A A . 21 GLU OE2 1 1 10 5607 1 1 22 ASP C C -5.541 -0.961 -4.443 1.00 . A A . 22 ASP C 1 1 10 5608 1 1 22 ASP CA C -6.685 -1.965 -4.330 1.00 . A A . 22 ASP CA 1 1 10 5609 1 1 22 ASP CB C -7.839 -1.562 -5.243 1.00 . A A . 22 ASP CB 1 1 10 5610 1 1 22 ASP CG C -7.378 -1.472 -6.691 1.00 . A A . 22 ASP CG 1 1 10 5611 1 1 22 ASP H H -8.125 -1.765 -2.780 1.00 . A A . 22 ASP H 1 1 10 5612 1 1 22 ASP HA H -6.327 -2.954 -4.616 1.00 . A A . 22 ASP HA 1 1 10 5613 1 1 22 ASP HB2 H -8.635 -2.303 -5.164 1.00 . A A . 22 ASP HB2 1 1 10 5614 1 1 22 ASP HB3 H -8.222 -0.591 -4.927 1.00 . A A . 22 ASP HB3 1 1 10 5615 1 1 22 ASP N N -7.160 -2.003 -2.956 1.00 . A A . 22 ASP N 1 1 10 5616 1 1 22 ASP O O -4.522 -1.237 -5.074 1.00 . A A . 22 ASP O 1 1 10 5617 1 1 22 ASP OD1 O -7.327 -2.539 -7.337 1.00 . A A . 22 ASP OD1 1 1 10 5618 1 1 22 ASP OD2 O -7.083 -0.337 -7.122 1.00 . A A . 22 ASP OD2 1 1 10 5619 1 1 23 HIS C C -3.481 0.757 -3.056 1.00 . A A . 23 HIS C 1 1 10 5620 1 1 23 HIS CA C -4.700 1.242 -3.834 1.00 . A A . 23 HIS CA 1 1 10 5621 1 1 23 HIS CB C -5.268 2.518 -3.213 1.00 . A A . 23 HIS CB 1 1 10 5622 1 1 23 HIS CD2 C -7.166 2.664 -5.044 1.00 . A A . 23 HIS CD2 1 1 10 5623 1 1 23 HIS CE1 C -8.497 3.991 -4.041 1.00 . A A . 23 HIS CE1 1 1 10 5624 1 1 23 HIS CG C -6.568 2.955 -3.841 1.00 . A A . 23 HIS CG 1 1 10 5625 1 1 23 HIS H H -6.569 0.378 -3.312 1.00 . A A . 23 HIS H 1 1 10 5626 1 1 23 HIS HA H -4.410 1.443 -4.865 1.00 . A A . 23 HIS HA 1 1 10 5627 1 1 23 HIS HB2 H -5.435 2.343 -2.152 1.00 . A A . 23 HIS HB2 1 1 10 5628 1 1 23 HIS HB3 H -4.537 3.320 -3.326 1.00 . A A . 23 HIS HB3 1 1 10 5629 1 1 23 HIS HD1 H -7.334 4.243 -2.298 1.00 . A A . 23 HIS HD1 1 1 10 5630 1 1 23 HIS HD2 H -6.739 2.009 -5.789 1.00 . A A . 23 HIS HD2 1 1 10 5631 1 1 23 HIS HE1 H -9.346 4.619 -3.808 1.00 . A A . 23 HIS HE1 1 1 10 5632 1 1 23 HIS N N -5.713 0.205 -3.819 1.00 . A A . 23 HIS N 1 1 10 5633 1 1 23 HIS ND1 N -7.452 3.822 -3.207 1.00 . A A . 23 HIS ND1 1 1 10 5634 1 1 23 HIS NE2 N -8.386 3.310 -5.180 1.00 . A A . 23 HIS NE2 1 1 10 5635 1 1 23 HIS O O -2.349 1.113 -3.378 1.00 . A A . 23 HIS O 1 1 10 5636 1 1 24 LEU C C -1.875 -1.655 -2.052 1.00 . A A . 24 LEU C 1 1 10 5637 1 1 24 LEU CA C -2.653 -0.631 -1.226 1.00 . A A . 24 LEU CA 1 1 10 5638 1 1 24 LEU CB C -3.251 -1.292 0.018 1.00 . A A . 24 LEU CB 1 1 10 5639 1 1 24 LEU CD1 C -2.264 -0.164 2.022 1.00 . A A . 24 LEU CD1 1 1 10 5640 1 1 24 LEU CD2 C -2.465 -2.647 1.975 1.00 . A A . 24 LEU CD2 1 1 10 5641 1 1 24 LEU CG C -2.192 -1.400 1.132 1.00 . A A . 24 LEU CG 1 1 10 5642 1 1 24 LEU H H -4.675 -0.322 -1.810 1.00 . A A . 24 LEU H 1 1 10 5643 1 1 24 LEU HA H -1.980 0.170 -0.917 1.00 . A A . 24 LEU HA 1 1 10 5644 1 1 24 LEU HB2 H -4.091 -0.695 0.374 1.00 . A A . 24 LEU HB2 1 1 10 5645 1 1 24 LEU HB3 H -3.608 -2.287 -0.242 1.00 . A A . 24 LEU HB3 1 1 10 5646 1 1 24 LEU HD11 H -3.304 0.066 2.239 1.00 . A A . 24 LEU HD11 1 1 10 5647 1 1 24 LEU HD12 H -1.735 -0.355 2.953 1.00 . A A . 24 LEU HD12 1 1 10 5648 1 1 24 LEU HD13 H -1.806 0.678 1.509 1.00 . A A . 24 LEU HD13 1 1 10 5649 1 1 24 LEU HD21 H -3.470 -2.594 2.391 1.00 . A A . 24 LEU HD21 1 1 10 5650 1 1 24 LEU HD22 H -2.378 -3.536 1.350 1.00 . A A . 24 LEU HD22 1 1 10 5651 1 1 24 LEU HD23 H -1.740 -2.704 2.787 1.00 . A A . 24 LEU HD23 1 1 10 5652 1 1 24 LEU HG H -1.190 -1.469 0.695 1.00 . A A . 24 LEU HG 1 1 10 5653 1 1 24 LEU N N -3.720 -0.068 -2.033 1.00 . A A . 24 LEU N 1 1 10 5654 1 1 24 LEU O O -0.688 -1.849 -1.831 1.00 . A A . 24 LEU O 1 1 10 5655 1 1 25 ALA C C -0.873 -2.677 -4.750 1.00 . A A . 25 ALA C 1 1 10 5656 1 1 25 ALA CA C -1.926 -3.321 -3.848 1.00 . A A . 25 ALA CA 1 1 10 5657 1 1 25 ALA CB C -2.997 -4.029 -4.681 1.00 . A A . 25 ALA CB 1 1 10 5658 1 1 25 ALA H H -3.535 -2.116 -3.149 1.00 . A A . 25 ALA H 1 1 10 5659 1 1 25 ALA HA H -1.439 -4.057 -3.210 1.00 . A A . 25 ALA HA 1 1 10 5660 1 1 25 ALA HB1 H -3.792 -4.385 -4.027 1.00 . A A . 25 ALA HB1 1 1 10 5661 1 1 25 ALA HB2 H -3.412 -3.335 -5.411 1.00 . A A . 25 ALA HB2 1 1 10 5662 1 1 25 ALA HB3 H -2.549 -4.876 -5.203 1.00 . A A . 25 ALA HB3 1 1 10 5663 1 1 25 ALA N N -2.552 -2.314 -3.005 1.00 . A A . 25 ALA N 1 1 10 5664 1 1 25 ALA O O 0.294 -3.054 -4.704 1.00 . A A . 25 ALA O 1 1 10 5665 1 1 26 VAL C C 0.749 -0.338 -5.678 1.00 . A A . 26 VAL C 1 1 10 5666 1 1 26 VAL CA C -0.359 -1.029 -6.477 1.00 . A A . 26 VAL CA 1 1 10 5667 1 1 26 VAL CB C -1.120 -0.013 -7.352 1.00 . A A . 26 VAL CB 1 1 10 5668 1 1 26 VAL CG1 C -2.169 -0.744 -8.196 1.00 . A A . 26 VAL CG1 1 1 10 5669 1 1 26 VAL CG2 C -1.816 1.046 -6.482 1.00 . A A . 26 VAL CG2 1 1 10 5670 1 1 26 VAL H H -2.255 -1.425 -5.572 1.00 . A A . 26 VAL H 1 1 10 5671 1 1 26 VAL HA H 0.098 -1.775 -7.129 1.00 . A A . 26 VAL HA 1 1 10 5672 1 1 26 VAL HB H -0.413 0.483 -8.018 1.00 . A A . 26 VAL HB 1 1 10 5673 1 1 26 VAL HG11 H -1.687 -1.538 -8.768 1.00 . A A . 26 VAL HG11 1 1 10 5674 1 1 26 VAL HG12 H -2.930 -1.176 -7.546 1.00 . A A . 26 VAL HG12 1 1 10 5675 1 1 26 VAL HG13 H -2.638 -0.040 -8.883 1.00 . A A . 26 VAL HG13 1 1 10 5676 1 1 26 VAL HG21 H -2.484 0.558 -5.778 1.00 . A A . 26 VAL HG21 1 1 10 5677 1 1 26 VAL HG22 H -1.070 1.626 -5.934 1.00 . A A . 26 VAL HG22 1 1 10 5678 1 1 26 VAL HG23 H -2.392 1.716 -7.119 1.00 . A A . 26 VAL HG23 1 1 10 5679 1 1 26 VAL N N -1.282 -1.705 -5.570 1.00 . A A . 26 VAL N 1 1 10 5680 1 1 26 VAL O O 1.896 -0.285 -6.117 1.00 . A A . 26 VAL O 1 1 10 5681 1 1 27 HIS C C 2.379 -0.032 -3.065 1.00 . A A . 27 HIS C 1 1 10 5682 1 1 27 HIS CA C 1.330 0.913 -3.663 1.00 . A A . 27 HIS CA 1 1 10 5683 1 1 27 HIS CB C 0.536 1.612 -2.565 1.00 . A A . 27 HIS CB 1 1 10 5684 1 1 27 HIS CD2 C 1.606 1.962 -0.211 1.00 . A A . 27 HIS CD2 1 1 10 5685 1 1 27 HIS CE1 C 2.864 3.621 -0.648 1.00 . A A . 27 HIS CE1 1 1 10 5686 1 1 27 HIS CG C 1.410 2.243 -1.530 1.00 . A A . 27 HIS CG 1 1 10 5687 1 1 27 HIS H H -0.561 0.108 -4.188 1.00 . A A . 27 HIS H 1 1 10 5688 1 1 27 HIS HA H 1.839 1.669 -4.264 1.00 . A A . 27 HIS HA 1 1 10 5689 1 1 27 HIS HB2 H -0.089 2.383 -3.016 1.00 . A A . 27 HIS HB2 1 1 10 5690 1 1 27 HIS HB3 H -0.105 0.880 -2.076 1.00 . A A . 27 HIS HB3 1 1 10 5691 1 1 27 HIS HD1 H 2.345 3.794 -2.685 1.00 . A A . 27 HIS HD1 1 1 10 5692 1 1 27 HIS HD2 H 1.105 1.163 0.313 1.00 . A A . 27 HIS HD2 1 1 10 5693 1 1 27 HIS HE1 H 3.576 4.424 -0.556 1.00 . A A . 27 HIS HE1 1 1 10 5694 1 1 27 HIS N N 0.396 0.194 -4.506 1.00 . A A . 27 HIS N 1 1 10 5695 1 1 27 HIS ND1 N 2.236 3.323 -1.798 1.00 . A A . 27 HIS ND1 1 1 10 5696 1 1 27 HIS NE2 N 2.522 2.823 0.369 1.00 . A A . 27 HIS NE2 1 1 10 5697 1 1 27 HIS O O 3.576 0.219 -3.188 1.00 . A A . 27 HIS O 1 1 10 5698 1 1 28 LYS C C 3.689 -2.773 -2.823 1.00 . A A . 28 LYS C 1 1 10 5699 1 1 28 LYS CA C 2.855 -2.046 -1.771 1.00 . A A . 28 LYS CA 1 1 10 5700 1 1 28 LYS CB C 2.080 -3.028 -0.880 1.00 . A A . 28 LYS CB 1 1 10 5701 1 1 28 LYS CD C 0.471 -4.936 -0.844 1.00 . A A . 28 LYS CD 1 1 10 5702 1 1 28 LYS CE C 0.035 -6.207 -1.579 1.00 . A A . 28 LYS CE 1 1 10 5703 1 1 28 LYS CG C 1.459 -4.153 -1.709 1.00 . A A . 28 LYS CG 1 1 10 5704 1 1 28 LYS H H 0.946 -1.284 -2.339 1.00 . A A . 28 LYS H 1 1 10 5705 1 1 28 LYS HA H 3.532 -1.478 -1.135 1.00 . A A . 28 LYS HA 1 1 10 5706 1 1 28 LYS HB2 H 2.763 -3.460 -0.150 1.00 . A A . 28 LYS HB2 1 1 10 5707 1 1 28 LYS HB3 H 1.294 -2.488 -0.356 1.00 . A A . 28 LYS HB3 1 1 10 5708 1 1 28 LYS HD2 H 0.950 -5.207 0.098 1.00 . A A . 28 LYS HD2 1 1 10 5709 1 1 28 LYS HD3 H -0.403 -4.313 -0.639 1.00 . A A . 28 LYS HD3 1 1 10 5710 1 1 28 LYS HE2 H -0.334 -5.940 -2.569 1.00 . A A . 28 LYS HE2 1 1 10 5711 1 1 28 LYS HE3 H 0.895 -6.870 -1.686 1.00 . A A . 28 LYS HE3 1 1 10 5712 1 1 28 LYS HG2 H 0.934 -3.729 -2.559 1.00 . A A . 28 LYS HG2 1 1 10 5713 1 1 28 LYS HG3 H 2.243 -4.823 -2.062 1.00 . A A . 28 LYS HG3 1 1 10 5714 1 1 28 LYS HZ1 H -0.692 -7.161 0.079 1.00 . A A . 28 LYS HZ1 1 1 10 5715 1 1 28 LYS HZ2 H -1.834 -6.308 -0.752 1.00 . A A . 28 LYS HZ2 1 1 10 5716 1 1 28 LYS HZ3 H -1.289 -7.749 -1.342 1.00 . A A . 28 LYS HZ3 1 1 10 5717 1 1 28 LYS N N 1.938 -1.109 -2.408 1.00 . A A . 28 LYS N 1 1 10 5718 1 1 28 LYS NZ N -1.028 -6.911 -0.841 1.00 . A A . 28 LYS NZ 1 1 10 5719 1 1 28 LYS O O 4.813 -3.170 -2.544 1.00 . A A . 28 LYS O 1 1 10 5720 1 1 29 HIS C C 5.105 -2.745 -5.476 1.00 . A A . 29 HIS C 1 1 10 5721 1 1 29 HIS CA C 3.877 -3.588 -5.115 1.00 . A A . 29 HIS CA 1 1 10 5722 1 1 29 HIS CB C 2.957 -3.769 -6.327 1.00 . A A . 29 HIS CB 1 1 10 5723 1 1 29 HIS CD2 C 3.044 -5.162 -8.563 1.00 . A A . 29 HIS CD2 1 1 10 5724 1 1 29 HIS CE1 C 5.071 -5.822 -8.483 1.00 . A A . 29 HIS CE1 1 1 10 5725 1 1 29 HIS CG C 3.563 -4.637 -7.407 1.00 . A A . 29 HIS CG 1 1 10 5726 1 1 29 HIS H H 2.207 -2.612 -4.212 1.00 . A A . 29 HIS H 1 1 10 5727 1 1 29 HIS HA H 4.210 -4.570 -4.775 1.00 . A A . 29 HIS HA 1 1 10 5728 1 1 29 HIS HB2 H 2.030 -4.232 -5.996 1.00 . A A . 29 HIS HB2 1 1 10 5729 1 1 29 HIS HB3 H 2.731 -2.790 -6.749 1.00 . A A . 29 HIS HB3 1 1 10 5730 1 1 29 HIS HD1 H 5.571 -4.881 -6.660 1.00 . A A . 29 HIS HD1 1 1 10 5731 1 1 29 HIS HD2 H 2.027 -5.010 -8.895 1.00 . A A . 29 HIS HD2 1 1 10 5732 1 1 29 HIS HE1 H 6.009 -6.298 -8.725 1.00 . A A . 29 HIS HE1 1 1 10 5733 1 1 29 HIS N N 3.147 -2.942 -4.034 1.00 . A A . 29 HIS N 1 1 10 5734 1 1 29 HIS ND1 N 4.882 -5.079 -7.376 1.00 . A A . 29 HIS ND1 1 1 10 5735 1 1 29 HIS NE2 N 3.984 -5.914 -9.254 1.00 . A A . 29 HIS NE2 1 1 10 5736 1 1 29 HIS O O 6.184 -3.290 -5.701 1.00 . A A . 29 HIS O 1 1 10 5737 1 1 30 LYS C C 7.156 -0.668 -4.812 1.00 . A A . 30 LYS C 1 1 10 5738 1 1 30 LYS CA C 6.037 -0.507 -5.843 1.00 . A A . 30 LYS CA 1 1 10 5739 1 1 30 LYS CB C 5.528 0.939 -5.868 1.00 . A A . 30 LYS CB 1 1 10 5740 1 1 30 LYS CD C 5.464 1.530 -8.306 1.00 . A A . 30 LYS CD 1 1 10 5741 1 1 30 LYS CE C 4.561 1.665 -9.533 1.00 . A A . 30 LYS CE 1 1 10 5742 1 1 30 LYS CG C 4.618 1.157 -7.085 1.00 . A A . 30 LYS CG 1 1 10 5743 1 1 30 LYS H H 4.028 -1.016 -5.336 1.00 . A A . 30 LYS H 1 1 10 5744 1 1 30 LYS HA H 6.430 -0.763 -6.828 1.00 . A A . 30 LYS HA 1 1 10 5745 1 1 30 LYS HB2 H 4.967 1.141 -4.959 1.00 . A A . 30 LYS HB2 1 1 10 5746 1 1 30 LYS HB3 H 6.377 1.621 -5.924 1.00 . A A . 30 LYS HB3 1 1 10 5747 1 1 30 LYS HD2 H 5.971 2.479 -8.121 1.00 . A A . 30 LYS HD2 1 1 10 5748 1 1 30 LYS HD3 H 6.207 0.752 -8.487 1.00 . A A . 30 LYS HD3 1 1 10 5749 1 1 30 LYS HE2 H 4.071 0.709 -9.725 1.00 . A A . 30 LYS HE2 1 1 10 5750 1 1 30 LYS HE3 H 3.803 2.425 -9.342 1.00 . A A . 30 LYS HE3 1 1 10 5751 1 1 30 LYS HG2 H 4.062 0.244 -7.294 1.00 . A A . 30 LYS HG2 1 1 10 5752 1 1 30 LYS HG3 H 3.918 1.966 -6.870 1.00 . A A . 30 LYS HG3 1 1 10 5753 1 1 30 LYS HZ1 H 6.127 1.414 -10.829 1.00 . A A . 30 LYS HZ1 1 1 10 5754 1 1 30 LYS HZ2 H 4.759 1.994 -11.546 1.00 . A A . 30 LYS HZ2 1 1 10 5755 1 1 30 LYS HZ3 H 5.686 2.992 -10.611 1.00 . A A . 30 LYS HZ3 1 1 10 5756 1 1 30 LYS N N 4.938 -1.413 -5.525 1.00 . A A . 30 LYS N 1 1 10 5757 1 1 30 LYS NZ N 5.344 2.050 -10.720 1.00 . A A . 30 LYS NZ 1 1 10 5758 1 1 30 LYS O O 8.331 -0.575 -5.156 1.00 . A A . 30 LYS O 1 1 10 5759 1 1 31 HIS C C 8.420 -2.492 -2.676 1.00 . A A . 31 HIS C 1 1 10 5760 1 1 31 HIS CA C 7.765 -1.127 -2.491 1.00 . A A . 31 HIS CA 1 1 10 5761 1 1 31 HIS CB C 7.074 -1.046 -1.128 1.00 . A A . 31 HIS CB 1 1 10 5762 1 1 31 HIS CD2 C 5.410 0.859 -0.371 1.00 . A A . 31 HIS CD2 1 1 10 5763 1 1 31 HIS CE1 C 6.750 2.517 -0.457 1.00 . A A . 31 HIS CE1 1 1 10 5764 1 1 31 HIS CG C 6.619 0.348 -0.784 1.00 . A A . 31 HIS CG 1 1 10 5765 1 1 31 HIS H H 5.807 -0.970 -3.313 1.00 . A A . 31 HIS H 1 1 10 5766 1 1 31 HIS HA H 8.532 -0.353 -2.551 1.00 . A A . 31 HIS HA 1 1 10 5767 1 1 31 HIS HB2 H 6.213 -1.711 -1.132 1.00 . A A . 31 HIS HB2 1 1 10 5768 1 1 31 HIS HB3 H 7.773 -1.384 -0.362 1.00 . A A . 31 HIS HB3 1 1 10 5769 1 1 31 HIS HD1 H 8.448 1.436 -1.095 1.00 . A A . 31 HIS HD1 1 1 10 5770 1 1 31 HIS HD2 H 4.512 0.270 -0.225 1.00 . A A . 31 HIS HD2 1 1 10 5771 1 1 31 HIS HE1 H 7.160 3.515 -0.400 1.00 . A A . 31 HIS HE1 1 1 10 5772 1 1 31 HIS N N 6.789 -0.917 -3.549 1.00 . A A . 31 HIS N 1 1 10 5773 1 1 31 HIS ND1 N 7.472 1.443 -0.832 1.00 . A A . 31 HIS ND1 1 1 10 5774 1 1 31 HIS NE2 N 5.484 2.228 -0.160 1.00 . A A . 31 HIS NE2 1 1 10 5775 1 1 31 HIS O O 9.644 -2.600 -2.682 1.00 . A A . 31 HIS O 1 1 10 5776 1 1 32 GLU C C 8.442 -5.125 -4.480 1.00 . A A . 32 GLU C 1 1 10 5777 1 1 32 GLU CA C 8.073 -4.896 -3.009 1.00 . A A . 32 GLU CA 1 1 10 5778 1 1 32 GLU CB C 6.977 -5.871 -2.546 1.00 . A A . 32 GLU CB 1 1 10 5779 1 1 32 GLU CD C 8.488 -7.218 -1.039 1.00 . A A . 32 GLU CD 1 1 10 5780 1 1 32 GLU CG C 7.578 -7.255 -2.261 1.00 . A A . 32 GLU CG 1 1 10 5781 1 1 32 GLU H H 6.597 -3.381 -2.820 1.00 . A A . 32 GLU H 1 1 10 5782 1 1 32 GLU HA H 8.962 -5.041 -2.395 1.00 . A A . 32 GLU HA 1 1 10 5783 1 1 32 GLU HB2 H 6.516 -5.488 -1.635 1.00 . A A . 32 GLU HB2 1 1 10 5784 1 1 32 GLU HB3 H 6.217 -5.958 -3.322 1.00 . A A . 32 GLU HB3 1 1 10 5785 1 1 32 GLU HG2 H 6.769 -7.962 -2.080 1.00 . A A . 32 GLU HG2 1 1 10 5786 1 1 32 GLU HG3 H 8.151 -7.586 -3.125 1.00 . A A . 32 GLU HG3 1 1 10 5787 1 1 32 GLU N N 7.594 -3.535 -2.829 1.00 . A A . 32 GLU N 1 1 10 5788 1 1 32 GLU O O 8.018 -6.108 -5.092 1.00 . A A . 32 GLU O 1 1 10 5789 1 1 32 GLU OE1 O 7.946 -6.998 0.065 1.00 . A A . 32 GLU OE1 1 1 10 5790 1 1 32 GLU OE2 O 9.708 -7.412 -1.233 1.00 . A A . 32 GLU OE2 1 1 10 5791 1 1 33 MET C C 10.881 -5.278 -6.476 1.00 . A A . 33 MET C 1 1 10 5792 1 1 33 MET CA C 9.686 -4.325 -6.422 1.00 . A A . 33 MET CA 1 1 10 5793 1 1 33 MET CB C 10.044 -2.931 -6.953 1.00 . A A . 33 MET CB 1 1 10 5794 1 1 33 MET CE C 9.026 -0.608 -9.077 1.00 . A A . 33 MET CE 1 1 10 5795 1 1 33 MET CG C 10.288 -2.991 -8.464 1.00 . A A . 33 MET CG 1 1 10 5796 1 1 33 MET H H 9.551 -3.418 -4.499 1.00 . A A . 33 MET H 1 1 10 5797 1 1 33 MET HA H 8.876 -4.736 -7.028 1.00 . A A . 33 MET HA 1 1 10 5798 1 1 33 MET HB2 H 9.219 -2.251 -6.751 1.00 . A A . 33 MET HB2 1 1 10 5799 1 1 33 MET HB3 H 10.942 -2.567 -6.451 1.00 . A A . 33 MET HB3 1 1 10 5800 1 1 33 MET HE1 H 8.278 -1.249 -9.543 1.00 . A A . 33 MET HE1 1 1 10 5801 1 1 33 MET HE2 H 8.780 -0.465 -8.026 1.00 . A A . 33 MET HE2 1 1 10 5802 1 1 33 MET HE3 H 9.040 0.358 -9.581 1.00 . A A . 33 MET HE3 1 1 10 5803 1 1 33 MET HG2 H 11.127 -3.657 -8.657 1.00 . A A . 33 MET HG2 1 1 10 5804 1 1 33 MET HG3 H 9.401 -3.403 -8.942 1.00 . A A . 33 MET HG3 1 1 10 5805 1 1 33 MET N N 9.239 -4.213 -5.044 1.00 . A A . 33 MET N 1 1 10 5806 1 1 33 MET O O 12.015 -4.855 -6.698 1.00 . A A . 33 MET O 1 1 10 5807 1 1 33 MET SD S 10.656 -1.383 -9.219 1.00 . A A . 33 MET SD 1 1 10 5808 1 1 34 THR C C 12.371 -7.636 -7.614 1.00 . A A . 34 THR C 1 1 10 5809 1 1 34 THR CA C 11.660 -7.587 -6.257 1.00 . A A . 34 THR CA 1 1 10 5810 1 1 34 THR CB C 11.052 -8.953 -5.878 1.00 . A A . 34 THR CB 1 1 10 5811 1 1 34 THR CG2 C 10.009 -9.400 -6.910 1.00 . A A . 34 THR CG2 1 1 10 5812 1 1 34 THR H H 9.664 -6.862 -6.087 1.00 . A A . 34 THR H 1 1 10 5813 1 1 34 THR HA H 12.394 -7.318 -5.496 1.00 . A A . 34 THR HA 1 1 10 5814 1 1 34 THR HB H 10.572 -8.868 -4.901 1.00 . A A . 34 THR HB 1 1 10 5815 1 1 34 THR HG1 H 12.702 -9.653 -5.127 1.00 . A A . 34 THR HG1 1 1 10 5816 1 1 34 THR HG21 H 9.318 -8.584 -7.118 1.00 . A A . 34 THR HG21 1 1 10 5817 1 1 34 THR HG22 H 10.508 -9.699 -7.831 1.00 . A A . 34 THR HG22 1 1 10 5818 1 1 34 THR HG23 H 9.452 -10.250 -6.514 1.00 . A A . 34 THR HG23 1 1 10 5819 1 1 34 THR N N 10.617 -6.572 -6.261 1.00 . A A . 34 THR N 1 1 10 5820 1 1 34 THR O O 13.600 -7.685 -7.662 1.00 . A A . 34 THR O 1 1 10 5821 1 1 34 THR OG1 O 12.077 -9.921 -5.805 1.00 . A A . 34 THR OG1 1 1 10 5822 1 1 35 LEU C C 11.108 -7.312 -11.088 1.00 . A A . 35 LEU C 1 1 10 5823 1 1 35 LEU CA C 12.178 -7.671 -10.054 1.00 . A A . 35 LEU CA 1 1 10 5824 1 1 35 LEU CB C 12.747 -9.078 -10.315 1.00 . A A . 35 LEU CB 1 1 10 5825 1 1 35 LEU CD1 C 15.010 -8.522 -11.259 1.00 . A A . 35 LEU CD1 1 1 10 5826 1 1 35 LEU CD2 C 13.754 -10.507 -12.108 1.00 . A A . 35 LEU CD2 1 1 10 5827 1 1 35 LEU CG C 13.619 -9.076 -11.582 1.00 . A A . 35 LEU CG 1 1 10 5828 1 1 35 LEU H H 10.601 -7.577 -8.626 1.00 . A A . 35 LEU H 1 1 10 5829 1 1 35 LEU HA H 12.985 -6.942 -10.117 1.00 . A A . 35 LEU HA 1 1 10 5830 1 1 35 LEU HB2 H 13.354 -9.390 -9.465 1.00 . A A . 35 LEU HB2 1 1 10 5831 1 1 35 LEU HB3 H 11.925 -9.782 -10.441 1.00 . A A . 35 LEU HB3 1 1 10 5832 1 1 35 LEU HD11 H 15.465 -9.117 -10.466 1.00 . A A . 35 LEU HD11 1 1 10 5833 1 1 35 LEU HD12 H 15.637 -8.571 -12.150 1.00 . A A . 35 LEU HD12 1 1 10 5834 1 1 35 LEU HD13 H 14.927 -7.486 -10.934 1.00 . A A . 35 LEU HD13 1 1 10 5835 1 1 35 LEU HD21 H 14.197 -11.138 -11.337 1.00 . A A . 35 LEU HD21 1 1 10 5836 1 1 35 LEU HD22 H 12.769 -10.893 -12.370 1.00 . A A . 35 LEU HD22 1 1 10 5837 1 1 35 LEU HD23 H 14.392 -10.512 -12.992 1.00 . A A . 35 LEU HD23 1 1 10 5838 1 1 35 LEU HG H 13.153 -8.456 -12.347 1.00 . A A . 35 LEU HG 1 1 10 5839 1 1 35 LEU N N 11.604 -7.622 -8.716 1.00 . A A . 35 LEU N 1 1 10 5840 1 1 35 LEU O O 10.647 -8.174 -11.836 1.00 . A A . 35 LEU O 1 1 10 5841 1 1 36 LYS C C 9.789 -4.040 -12.178 1.00 . A A . 36 LYS C 1 1 10 5842 1 1 36 LYS CA C 9.723 -5.563 -12.085 1.00 . A A . 36 LYS CA 1 1 10 5843 1 1 36 LYS CB C 8.325 -6.024 -11.654 1.00 . A A . 36 LYS CB 1 1 10 5844 1 1 36 LYS CD C 5.891 -5.878 -12.258 1.00 . A A . 36 LYS CD 1 1 10 5845 1 1 36 LYS CE C 5.594 -7.344 -11.924 1.00 . A A . 36 LYS CE 1 1 10 5846 1 1 36 LYS CG C 7.323 -5.735 -12.779 1.00 . A A . 36 LYS CG 1 1 10 5847 1 1 36 LYS H H 11.119 -5.365 -10.490 1.00 . A A . 36 LYS H 1 1 10 5848 1 1 36 LYS HA H 9.946 -5.986 -13.066 1.00 . A A . 36 LYS HA 1 1 10 5849 1 1 36 LYS HB2 H 8.343 -7.095 -11.451 1.00 . A A . 36 LYS HB2 1 1 10 5850 1 1 36 LYS HB3 H 8.027 -5.491 -10.751 1.00 . A A . 36 LYS HB3 1 1 10 5851 1 1 36 LYS HD2 H 5.770 -5.266 -11.364 1.00 . A A . 36 LYS HD2 1 1 10 5852 1 1 36 LYS HD3 H 5.198 -5.535 -13.026 1.00 . A A . 36 LYS HD3 1 1 10 5853 1 1 36 LYS HE2 H 5.815 -7.964 -12.794 1.00 . A A . 36 LYS HE2 1 1 10 5854 1 1 36 LYS HE3 H 6.224 -7.659 -11.091 1.00 . A A . 36 LYS HE3 1 1 10 5855 1 1 36 LYS HG2 H 7.468 -4.718 -13.143 1.00 . A A . 36 LYS HG2 1 1 10 5856 1 1 36 LYS HG3 H 7.485 -6.437 -13.598 1.00 . A A . 36 LYS HG3 1 1 10 5857 1 1 36 LYS HZ1 H 3.588 -7.236 -12.314 1.00 . A A . 36 LYS HZ1 1 1 10 5858 1 1 36 LYS HZ2 H 4.008 -8.495 -11.337 1.00 . A A . 36 LYS HZ2 1 1 10 5859 1 1 36 LYS HZ3 H 3.974 -6.958 -10.730 1.00 . A A . 36 LYS HZ3 1 1 10 5860 1 1 36 LYS N N 10.716 -6.033 -11.131 1.00 . A A . 36 LYS N 1 1 10 5861 1 1 36 LYS NZ N 4.180 -7.523 -11.549 1.00 . A A . 36 LYS NZ 1 1 10 5862 1 1 36 LYS O O 9.126 -3.339 -11.418 1.00 . A A . 36 LYS O 1 1 10 5863 1 1 37 PHE C C 9.519 -1.551 -14.037 1.00 . A A . 37 PHE C 1 1 10 5864 1 1 37 PHE CA C 10.745 -2.102 -13.310 1.00 . A A . 37 PHE CA 1 1 10 5865 1 1 37 PHE CB C 12.027 -1.830 -14.105 1.00 . A A . 37 PHE CB 1 1 10 5866 1 1 37 PHE CD1 C 12.919 0.331 -13.137 1.00 . A A . 37 PHE CD1 1 1 10 5867 1 1 37 PHE CD2 C 12.083 0.331 -15.426 1.00 . A A . 37 PHE CD2 1 1 10 5868 1 1 37 PHE CE1 C 13.218 1.699 -13.248 1.00 . A A . 37 PHE CE1 1 1 10 5869 1 1 37 PHE CE2 C 12.383 1.700 -15.534 1.00 . A A . 37 PHE CE2 1 1 10 5870 1 1 37 PHE CG C 12.351 -0.355 -14.227 1.00 . A A . 37 PHE CG 1 1 10 5871 1 1 37 PHE CZ C 12.951 2.385 -14.446 1.00 . A A . 37 PHE CZ 1 1 10 5872 1 1 37 PHE H H 11.109 -4.157 -13.718 1.00 . A A . 37 PHE H 1 1 10 5873 1 1 37 PHE HA H 10.827 -1.620 -12.336 1.00 . A A . 37 PHE HA 1 1 10 5874 1 1 37 PHE HB2 H 12.859 -2.328 -13.606 1.00 . A A . 37 PHE HB2 1 1 10 5875 1 1 37 PHE HB3 H 11.918 -2.252 -15.105 1.00 . A A . 37 PHE HB3 1 1 10 5876 1 1 37 PHE HD1 H 13.124 -0.194 -12.216 1.00 . A A . 37 PHE HD1 1 1 10 5877 1 1 37 PHE HD2 H 11.646 -0.192 -16.264 1.00 . A A . 37 PHE HD2 1 1 10 5878 1 1 37 PHE HE1 H 13.654 2.225 -12.411 1.00 . A A . 37 PHE HE1 1 1 10 5879 1 1 37 PHE HE2 H 12.177 2.228 -16.454 1.00 . A A . 37 PHE HE2 1 1 10 5880 1 1 37 PHE HZ H 13.181 3.436 -14.529 1.00 . A A . 37 PHE HZ 1 1 10 5881 1 1 37 PHE N N 10.591 -3.535 -13.117 1.00 . A A . 37 PHE N 1 1 10 5882 1 1 37 PHE O O 9.460 -1.571 -15.265 1.00 . A A . 37 PHE O 1 1 10 5883 1 1 38 GLY C C 6.444 0.040 -12.709 1.00 . A A . 38 GLY C 1 1 10 5884 1 1 38 GLY CA C 7.321 -0.510 -13.828 1.00 . A A . 38 GLY CA 1 1 10 5885 1 1 38 GLY H H 8.639 -1.075 -12.263 1.00 . A A . 38 GLY H 1 1 10 5886 1 1 38 GLY HA2 H 7.571 0.295 -14.520 1.00 . A A . 38 GLY HA2 1 1 10 5887 1 1 38 GLY HA3 H 6.779 -1.291 -14.361 1.00 . A A . 38 GLY HA3 1 1 10 5888 1 1 38 GLY N N 8.540 -1.063 -13.270 1.00 . A A . 38 GLY N 1 1 10 5889 1 1 38 GLY O O 6.937 0.042 -11.554 1.00 . A A . 38 GLY O 1 1 10 5890 1 1 38 GLY OXT O 5.417 0.663 -13.052 1.00 . A A . 38 GLY OXT 1 1 11 5891 1 1 1 MET C C -15.522 -1.815 1.915 1.00 . A A . 1 MET C 1 1 11 5892 1 1 1 MET CA C -14.455 -2.702 1.277 1.00 . A A . 1 MET CA 1 1 11 5893 1 1 1 MET CB C -13.272 -2.908 2.232 1.00 . A A . 1 MET CB 1 1 11 5894 1 1 1 MET CE C -13.317 -5.031 5.841 1.00 . A A . 1 MET CE 1 1 11 5895 1 1 1 MET CG C -13.725 -3.664 3.486 1.00 . A A . 1 MET CG 1 1 11 5896 1 1 1 MET H1 H -13.620 -1.170 0.212 1.00 . A A . 1 MET H1 1 1 11 5897 1 1 1 MET H2 H -13.264 -2.666 -0.386 1.00 . A A . 1 MET H2 1 1 11 5898 1 1 1 MET H3 H -14.761 -2.017 -0.625 1.00 . A A . 1 MET H3 1 1 11 5899 1 1 1 MET HA H -14.896 -3.673 1.049 1.00 . A A . 1 MET HA 1 1 11 5900 1 1 1 MET HB2 H -12.499 -3.487 1.726 1.00 . A A . 1 MET HB2 1 1 11 5901 1 1 1 MET HB3 H -12.864 -1.939 2.523 1.00 . A A . 1 MET HB3 1 1 11 5902 1 1 1 MET HE1 H -13.950 -4.283 6.317 1.00 . A A . 1 MET HE1 1 1 11 5903 1 1 1 MET HE2 H -13.939 -5.824 5.426 1.00 . A A . 1 MET HE2 1 1 11 5904 1 1 1 MET HE3 H -12.636 -5.454 6.581 1.00 . A A . 1 MET HE3 1 1 11 5905 1 1 1 MET HG2 H -14.345 -3.002 4.089 1.00 . A A . 1 MET HG2 1 1 11 5906 1 1 1 MET HG3 H -14.324 -4.522 3.180 1.00 . A A . 1 MET HG3 1 1 11 5907 1 1 1 MET N N -13.988 -2.092 0.020 1.00 . A A . 1 MET N 1 1 11 5908 1 1 1 MET O O -15.511 -0.602 1.722 1.00 . A A . 1 MET O 1 1 11 5909 1 1 1 MET SD S -12.359 -4.259 4.515 1.00 . A A . 1 MET SD 1 1 11 5910 1 1 2 SER C C -16.898 -0.763 4.395 1.00 . A A . 2 SER C 1 1 11 5911 1 1 2 SER CA C -17.505 -1.686 3.340 1.00 . A A . 2 SER CA 1 1 11 5912 1 1 2 SER CB C -18.485 -2.672 3.980 1.00 . A A . 2 SER CB 1 1 11 5913 1 1 2 SER H H -16.409 -3.426 2.793 1.00 . A A . 2 SER H 1 1 11 5914 1 1 2 SER HA H -18.038 -1.085 2.602 1.00 . A A . 2 SER HA 1 1 11 5915 1 1 2 SER HB2 H -18.829 -3.384 3.228 1.00 . A A . 2 SER HB2 1 1 11 5916 1 1 2 SER HB3 H -17.986 -3.212 4.786 1.00 . A A . 2 SER HB3 1 1 11 5917 1 1 2 SER HG H -19.304 -1.448 5.252 1.00 . A A . 2 SER HG 1 1 11 5918 1 1 2 SER N N -16.444 -2.424 2.672 1.00 . A A . 2 SER N 1 1 11 5919 1 1 2 SER O O -15.940 -1.144 5.067 1.00 . A A . 2 SER O 1 1 11 5920 1 1 2 SER OG O -19.595 -1.971 4.500 1.00 . A A . 2 SER OG 1 1 11 5921 1 1 3 ASP C C -15.588 1.929 5.106 1.00 . A A . 3 ASP C 1 1 11 5922 1 1 3 ASP CA C -16.999 1.456 5.482 1.00 . A A . 3 ASP CA 1 1 11 5923 1 1 3 ASP CB C -17.039 0.885 6.912 1.00 . A A . 3 ASP CB 1 1 11 5924 1 1 3 ASP CG C -16.795 1.971 7.958 1.00 . A A . 3 ASP CG 1 1 11 5925 1 1 3 ASP H H -18.252 0.688 3.941 1.00 . A A . 3 ASP H 1 1 11 5926 1 1 3 ASP HA H -17.675 2.310 5.429 1.00 . A A . 3 ASP HA 1 1 11 5927 1 1 3 ASP HB2 H -18.016 0.436 7.089 1.00 . A A . 3 ASP HB2 1 1 11 5928 1 1 3 ASP HB3 H -16.272 0.120 7.017 1.00 . A A . 3 ASP HB3 1 1 11 5929 1 1 3 ASP N N -17.467 0.449 4.527 1.00 . A A . 3 ASP N 1 1 11 5930 1 1 3 ASP O O -14.916 1.314 4.275 1.00 . A A . 3 ASP O 1 1 11 5931 1 1 3 ASP OD1 O -17.114 3.142 7.654 1.00 . A A . 3 ASP OD1 1 1 11 5932 1 1 3 ASP OD2 O -16.292 1.608 9.042 1.00 . A A . 3 ASP OD2 1 1 11 5933 1 1 4 ASP C C -12.770 2.820 6.257 1.00 . A A . 4 ASP C 1 1 11 5934 1 1 4 ASP CA C -13.823 3.584 5.452 1.00 . A A . 4 ASP CA 1 1 11 5935 1 1 4 ASP CB C -13.817 5.078 5.805 1.00 . A A . 4 ASP CB 1 1 11 5936 1 1 4 ASP CG C -12.451 5.704 5.533 1.00 . A A . 4 ASP CG 1 1 11 5937 1 1 4 ASP H H -15.733 3.499 6.399 1.00 . A A . 4 ASP H 1 1 11 5938 1 1 4 ASP HA H -13.602 3.474 4.389 1.00 . A A . 4 ASP HA 1 1 11 5939 1 1 4 ASP HB2 H -14.569 5.591 5.206 1.00 . A A . 4 ASP HB2 1 1 11 5940 1 1 4 ASP HB3 H -14.061 5.198 6.862 1.00 . A A . 4 ASP HB3 1 1 11 5941 1 1 4 ASP N N -15.141 3.030 5.721 1.00 . A A . 4 ASP N 1 1 11 5942 1 1 4 ASP O O -12.069 3.403 7.080 1.00 . A A . 4 ASP O 1 1 11 5943 1 1 4 ASP OD1 O -11.824 5.298 4.530 1.00 . A A . 4 ASP OD1 1 1 11 5944 1 1 4 ASP OD2 O -12.052 6.578 6.334 1.00 . A A . 4 ASP OD2 1 1 11 5945 1 1 5 LYS C C -10.280 1.136 6.282 1.00 . A A . 5 LYS C 1 1 11 5946 1 1 5 LYS CA C -11.686 0.666 6.688 1.00 . A A . 5 LYS CA 1 1 11 5947 1 1 5 LYS CB C -11.934 -0.800 6.280 1.00 . A A . 5 LYS CB 1 1 11 5948 1 1 5 LYS CD C -9.977 -1.812 7.570 1.00 . A A . 5 LYS CD 1 1 11 5949 1 1 5 LYS CE C -9.300 -2.305 6.288 1.00 . A A . 5 LYS CE 1 1 11 5950 1 1 5 LYS CG C -11.507 -1.769 7.401 1.00 . A A . 5 LYS CG 1 1 11 5951 1 1 5 LYS H H -13.272 1.079 5.328 1.00 . A A . 5 LYS H 1 1 11 5952 1 1 5 LYS HA H -11.818 0.765 7.763 1.00 . A A . 5 LYS HA 1 1 11 5953 1 1 5 LYS HB2 H -13.000 -0.936 6.093 1.00 . A A . 5 LYS HB2 1 1 11 5954 1 1 5 LYS HB3 H -11.389 -1.024 5.367 1.00 . A A . 5 LYS HB3 1 1 11 5955 1 1 5 LYS HD2 H -9.608 -0.824 7.814 1.00 . A A . 5 LYS HD2 1 1 11 5956 1 1 5 LYS HD3 H -9.732 -2.493 8.387 1.00 . A A . 5 LYS HD3 1 1 11 5957 1 1 5 LYS HE2 H -9.779 -3.227 5.957 1.00 . A A . 5 LYS HE2 1 1 11 5958 1 1 5 LYS HE3 H -9.402 -1.550 5.514 1.00 . A A . 5 LYS HE3 1 1 11 5959 1 1 5 LYS HG2 H -11.962 -1.452 8.340 1.00 . A A . 5 LYS HG2 1 1 11 5960 1 1 5 LYS HG3 H -11.864 -2.770 7.157 1.00 . A A . 5 LYS HG3 1 1 11 5961 1 1 5 LYS HZ1 H -7.419 -1.698 6.818 1.00 . A A . 5 LYS HZ1 1 1 11 5962 1 1 5 LYS HZ2 H -7.755 -3.267 7.222 1.00 . A A . 5 LYS HZ2 1 1 11 5963 1 1 5 LYS HZ3 H -7.441 -2.870 5.653 1.00 . A A . 5 LYS HZ3 1 1 11 5964 1 1 5 LYS N N -12.662 1.509 6.011 1.00 . A A . 5 LYS N 1 1 11 5965 1 1 5 LYS NZ N -7.867 -2.556 6.513 1.00 . A A . 5 LYS NZ 1 1 11 5966 1 1 5 LYS O O -9.924 1.032 5.112 1.00 . A A . 5 LYS O 1 1 11 5967 1 1 6 PRO C C -7.211 1.040 6.495 1.00 . A A . 6 PRO C 1 1 11 5968 1 1 6 PRO CA C -8.154 2.168 6.914 1.00 . A A . 6 PRO CA 1 1 11 5969 1 1 6 PRO CB C -7.653 2.847 8.189 1.00 . A A . 6 PRO CB 1 1 11 5970 1 1 6 PRO CD C -9.835 1.811 8.628 1.00 . A A . 6 PRO CD 1 1 11 5971 1 1 6 PRO CG C -8.653 2.505 9.300 1.00 . A A . 6 PRO CG 1 1 11 5972 1 1 6 PRO HA H -8.224 2.904 6.112 1.00 . A A . 6 PRO HA 1 1 11 5973 1 1 6 PRO HB2 H -6.662 2.474 8.448 1.00 . A A . 6 PRO HB2 1 1 11 5974 1 1 6 PRO HB3 H -7.618 3.926 8.042 1.00 . A A . 6 PRO HB3 1 1 11 5975 1 1 6 PRO HD2 H -10.000 0.835 9.084 1.00 . A A . 6 PRO HD2 1 1 11 5976 1 1 6 PRO HD3 H -10.728 2.425 8.731 1.00 . A A . 6 PRO HD3 1 1 11 5977 1 1 6 PRO HG2 H -8.188 1.834 10.024 1.00 . A A . 6 PRO HG2 1 1 11 5978 1 1 6 PRO HG3 H -8.985 3.416 9.798 1.00 . A A . 6 PRO HG3 1 1 11 5979 1 1 6 PRO N N -9.475 1.667 7.227 1.00 . A A . 6 PRO N 1 1 11 5980 1 1 6 PRO O O -7.085 0.035 7.199 1.00 . A A . 6 PRO O 1 1 11 5981 1 1 7 PHE C C -4.165 0.914 5.004 1.00 . A A . 7 PHE C 1 1 11 5982 1 1 7 PHE CA C -5.543 0.272 4.865 1.00 . A A . 7 PHE CA 1 1 11 5983 1 1 7 PHE CB C -5.838 -0.086 3.406 1.00 . A A . 7 PHE CB 1 1 11 5984 1 1 7 PHE CD1 C -7.039 -2.308 3.294 1.00 . A A . 7 PHE CD1 1 1 11 5985 1 1 7 PHE CD2 C -8.327 -0.264 3.013 1.00 . A A . 7 PHE CD2 1 1 11 5986 1 1 7 PHE CE1 C -8.211 -3.066 3.138 1.00 . A A . 7 PHE CE1 1 1 11 5987 1 1 7 PHE CE2 C -9.497 -1.021 2.857 1.00 . A A . 7 PHE CE2 1 1 11 5988 1 1 7 PHE CG C -7.097 -0.904 3.232 1.00 . A A . 7 PHE CG 1 1 11 5989 1 1 7 PHE CZ C -9.440 -2.423 2.918 1.00 . A A . 7 PHE CZ 1 1 11 5990 1 1 7 PHE H H -6.702 2.055 4.804 1.00 . A A . 7 PHE H 1 1 11 5991 1 1 7 PHE HA H -5.576 -0.636 5.468 1.00 . A A . 7 PHE HA 1 1 11 5992 1 1 7 PHE HB2 H -5.933 0.834 2.828 1.00 . A A . 7 PHE HB2 1 1 11 5993 1 1 7 PHE HB3 H -5.000 -0.659 3.012 1.00 . A A . 7 PHE HB3 1 1 11 5994 1 1 7 PHE HD1 H -6.093 -2.805 3.460 1.00 . A A . 7 PHE HD1 1 1 11 5995 1 1 7 PHE HD2 H -8.374 0.812 2.969 1.00 . A A . 7 PHE HD2 1 1 11 5996 1 1 7 PHE HE1 H -8.166 -4.144 3.186 1.00 . A A . 7 PHE HE1 1 1 11 5997 1 1 7 PHE HE2 H -10.442 -0.524 2.698 1.00 . A A . 7 PHE HE2 1 1 11 5998 1 1 7 PHE HZ H -10.339 -3.005 2.798 1.00 . A A . 7 PHE HZ 1 1 11 5999 1 1 7 PHE N N -6.534 1.222 5.352 1.00 . A A . 7 PHE N 1 1 11 6000 1 1 7 PHE O O -3.668 1.526 4.064 1.00 . A A . 7 PHE O 1 1 11 6001 1 1 8 LEU C C -1.135 0.472 5.986 1.00 . A A . 8 LEU C 1 1 11 6002 1 1 8 LEU CA C -2.262 1.384 6.472 1.00 . A A . 8 LEU CA 1 1 11 6003 1 1 8 LEU CB C -2.154 1.631 7.985 1.00 . A A . 8 LEU CB 1 1 11 6004 1 1 8 LEU CD1 C -0.562 3.559 7.670 1.00 . A A . 8 LEU CD1 1 1 11 6005 1 1 8 LEU CD2 C -0.686 2.379 9.866 1.00 . A A . 8 LEU CD2 1 1 11 6006 1 1 8 LEU CG C -0.772 2.202 8.350 1.00 . A A . 8 LEU CG 1 1 11 6007 1 1 8 LEU H H -4.011 0.258 6.923 1.00 . A A . 8 LEU H 1 1 11 6008 1 1 8 LEU HA H -2.197 2.339 5.954 1.00 . A A . 8 LEU HA 1 1 11 6009 1 1 8 LEU HB2 H -2.928 2.336 8.290 1.00 . A A . 8 LEU HB2 1 1 11 6010 1 1 8 LEU HB3 H -2.302 0.688 8.513 1.00 . A A . 8 LEU HB3 1 1 11 6011 1 1 8 LEU HD11 H -1.438 4.189 7.833 1.00 . A A . 8 LEU HD11 1 1 11 6012 1 1 8 LEU HD12 H 0.315 4.045 8.094 1.00 . A A . 8 LEU HD12 1 1 11 6013 1 1 8 LEU HD13 H -0.413 3.414 6.602 1.00 . A A . 8 LEU HD13 1 1 11 6014 1 1 8 LEU HD21 H -0.842 1.417 10.355 1.00 . A A . 8 LEU HD21 1 1 11 6015 1 1 8 LEU HD22 H 0.299 2.763 10.133 1.00 . A A . 8 LEU HD22 1 1 11 6016 1 1 8 LEU HD23 H -1.450 3.082 10.197 1.00 . A A . 8 LEU HD23 1 1 11 6017 1 1 8 LEU HG H 0.008 1.512 8.027 1.00 . A A . 8 LEU HG 1 1 11 6018 1 1 8 LEU N N -3.559 0.783 6.189 1.00 . A A . 8 LEU N 1 1 11 6019 1 1 8 LEU O O -0.928 -0.610 6.536 1.00 . A A . 8 LEU O 1 1 11 6020 1 1 9 CYS C C 1.919 0.295 5.374 1.00 . A A . 9 CYS C 1 1 11 6021 1 1 9 CYS CA C 0.729 0.163 4.435 1.00 . A A . 9 CYS CA 1 1 11 6022 1 1 9 CYS CB C 1.105 0.692 3.051 1.00 . A A . 9 CYS CB 1 1 11 6023 1 1 9 CYS H H -0.624 1.805 4.530 1.00 . A A . 9 CYS H 1 1 11 6024 1 1 9 CYS HA H 0.452 -0.890 4.350 1.00 . A A . 9 CYS HA 1 1 11 6025 1 1 9 CYS HB2 H 0.289 0.516 2.358 1.00 . A A . 9 CYS HB2 1 1 11 6026 1 1 9 CYS HB3 H 1.311 1.765 3.109 1.00 . A A . 9 CYS HB3 1 1 11 6027 1 1 9 CYS N N -0.400 0.915 4.960 1.00 . A A . 9 CYS N 1 1 11 6028 1 1 9 CYS O O 2.749 1.184 5.193 1.00 . A A . 9 CYS O 1 1 11 6029 1 1 9 CYS SG S 2.585 -0.189 2.480 1.00 . A A . 9 CYS SG 1 1 11 6030 1 1 10 THR C C 4.433 -0.772 6.516 1.00 . A A . 10 THR C 1 1 11 6031 1 1 10 THR CA C 3.130 -0.574 7.299 1.00 . A A . 10 THR CA 1 1 11 6032 1 1 10 THR CB C 2.937 -1.661 8.372 1.00 . A A . 10 THR CB 1 1 11 6033 1 1 10 THR CG2 C 2.958 -3.059 7.742 1.00 . A A . 10 THR CG2 1 1 11 6034 1 1 10 THR H H 1.297 -1.294 6.486 1.00 . A A . 10 THR H 1 1 11 6035 1 1 10 THR HA H 3.160 0.400 7.791 1.00 . A A . 10 THR HA 1 1 11 6036 1 1 10 THR HB H 1.976 -1.506 8.866 1.00 . A A . 10 THR HB 1 1 11 6037 1 1 10 THR HG1 H 3.817 -2.220 10.010 1.00 . A A . 10 THR HG1 1 1 11 6038 1 1 10 THR HG21 H 2.285 -3.090 6.886 1.00 . A A . 10 THR HG21 1 1 11 6039 1 1 10 THR HG22 H 3.970 -3.300 7.418 1.00 . A A . 10 THR HG22 1 1 11 6040 1 1 10 THR HG23 H 2.634 -3.793 8.481 1.00 . A A . 10 THR HG23 1 1 11 6041 1 1 10 THR N N 2.012 -0.590 6.370 1.00 . A A . 10 THR N 1 1 11 6042 1 1 10 THR O O 4.517 -1.651 5.657 1.00 . A A . 10 THR O 1 1 11 6043 1 1 10 THR OG1 O 3.969 -1.563 9.327 1.00 . A A . 10 THR OG1 1 1 11 6044 1 1 11 ALA C C 7.715 0.907 6.843 1.00 . A A . 11 ALA C 1 1 11 6045 1 1 11 ALA CA C 6.719 -0.005 6.119 1.00 . A A . 11 ALA CA 1 1 11 6046 1 1 11 ALA CB C 6.523 0.435 4.659 1.00 . A A . 11 ALA CB 1 1 11 6047 1 1 11 ALA H H 5.320 0.765 7.518 1.00 . A A . 11 ALA H 1 1 11 6048 1 1 11 ALA HA H 7.087 -1.030 6.140 1.00 . A A . 11 ALA HA 1 1 11 6049 1 1 11 ALA HB1 H 5.746 1.200 4.608 1.00 . A A . 11 ALA HB1 1 1 11 6050 1 1 11 ALA HB2 H 7.451 0.842 4.266 1.00 . A A . 11 ALA HB2 1 1 11 6051 1 1 11 ALA HB3 H 6.222 -0.422 4.058 1.00 . A A . 11 ALA HB3 1 1 11 6052 1 1 11 ALA N N 5.440 0.058 6.804 1.00 . A A . 11 ALA N 1 1 11 6053 1 1 11 ALA O O 7.302 1.795 7.586 1.00 . A A . 11 ALA O 1 1 11 6054 1 1 12 PRO C C 9.924 2.958 6.775 1.00 . A A . 12 PRO C 1 1 11 6055 1 1 12 PRO CA C 10.052 1.514 7.258 1.00 . A A . 12 PRO CA 1 1 11 6056 1 1 12 PRO CB C 11.388 0.897 6.834 1.00 . A A . 12 PRO CB 1 1 11 6057 1 1 12 PRO CD C 9.561 -0.349 5.785 1.00 . A A . 12 PRO CD 1 1 11 6058 1 1 12 PRO CG C 11.066 -0.099 5.716 1.00 . A A . 12 PRO CG 1 1 11 6059 1 1 12 PRO HA H 9.953 1.474 8.344 1.00 . A A . 12 PRO HA 1 1 11 6060 1 1 12 PRO HB2 H 12.067 1.668 6.468 1.00 . A A . 12 PRO HB2 1 1 11 6061 1 1 12 PRO HB3 H 11.838 0.373 7.678 1.00 . A A . 12 PRO HB3 1 1 11 6062 1 1 12 PRO HD2 H 9.129 -0.293 4.789 1.00 . A A . 12 PRO HD2 1 1 11 6063 1 1 12 PRO HD3 H 9.365 -1.328 6.226 1.00 . A A . 12 PRO HD3 1 1 11 6064 1 1 12 PRO HG2 H 11.323 0.336 4.750 1.00 . A A . 12 PRO HG2 1 1 11 6065 1 1 12 PRO HG3 H 11.614 -1.029 5.868 1.00 . A A . 12 PRO HG3 1 1 11 6066 1 1 12 PRO N N 9.030 0.696 6.637 1.00 . A A . 12 PRO N 1 1 11 6067 1 1 12 PRO O O 10.228 3.255 5.620 1.00 . A A . 12 PRO O 1 1 11 6068 1 1 13 GLY C C 7.996 5.467 6.546 1.00 . A A . 13 GLY C 1 1 11 6069 1 1 13 GLY CA C 9.296 5.258 7.322 1.00 . A A . 13 GLY CA 1 1 11 6070 1 1 13 GLY H H 9.228 3.554 8.594 1.00 . A A . 13 GLY H 1 1 11 6071 1 1 13 GLY HA2 H 9.265 5.845 8.241 1.00 . A A . 13 GLY HA2 1 1 11 6072 1 1 13 GLY HA3 H 10.137 5.591 6.713 1.00 . A A . 13 GLY HA3 1 1 11 6073 1 1 13 GLY N N 9.467 3.852 7.659 1.00 . A A . 13 GLY N 1 1 11 6074 1 1 13 GLY O O 7.201 6.340 6.890 1.00 . A A . 13 GLY O 1 1 11 6075 1 1 14 CYS C C 5.381 4.240 5.443 1.00 . A A . 14 CYS C 1 1 11 6076 1 1 14 CYS CA C 6.583 4.778 4.673 1.00 . A A . 14 CYS CA 1 1 11 6077 1 1 14 CYS CB C 6.788 3.996 3.376 1.00 . A A . 14 CYS CB 1 1 11 6078 1 1 14 CYS H H 8.467 3.960 5.255 1.00 . A A . 14 CYS H 1 1 11 6079 1 1 14 CYS HA H 6.412 5.827 4.429 1.00 . A A . 14 CYS HA 1 1 11 6080 1 1 14 CYS HB2 H 7.590 4.454 2.796 1.00 . A A . 14 CYS HB2 1 1 11 6081 1 1 14 CYS HB3 H 7.049 2.969 3.608 1.00 . A A . 14 CYS HB3 1 1 11 6082 1 1 14 CYS N N 7.781 4.668 5.494 1.00 . A A . 14 CYS N 1 1 11 6083 1 1 14 CYS O O 5.462 3.179 6.050 1.00 . A A . 14 CYS O 1 1 11 6084 1 1 14 CYS SG S 5.254 4.029 2.419 1.00 . A A . 14 CYS SG 1 1 11 6085 1 1 15 GLY C C 1.845 5.241 5.509 1.00 . A A . 15 GLY C 1 1 11 6086 1 1 15 GLY CA C 3.062 4.563 6.119 1.00 . A A . 15 GLY CA 1 1 11 6087 1 1 15 GLY H H 4.245 5.840 4.895 1.00 . A A . 15 GLY H 1 1 11 6088 1 1 15 GLY HA2 H 2.945 3.484 6.045 1.00 . A A . 15 GLY HA2 1 1 11 6089 1 1 15 GLY HA3 H 3.145 4.846 7.169 1.00 . A A . 15 GLY HA3 1 1 11 6090 1 1 15 GLY N N 4.265 4.972 5.416 1.00 . A A . 15 GLY N 1 1 11 6091 1 1 15 GLY O O 1.106 5.932 6.205 1.00 . A A . 15 GLY O 1 1 11 6092 1 1 16 GLN C C -0.750 4.824 3.774 1.00 . A A . 16 GLN C 1 1 11 6093 1 1 16 GLN CA C 0.510 5.647 3.514 1.00 . A A . 16 GLN CA 1 1 11 6094 1 1 16 GLN CB C 0.803 5.752 2.011 1.00 . A A . 16 GLN CB 1 1 11 6095 1 1 16 GLN CD C 3.096 6.841 1.922 1.00 . A A . 16 GLN CD 1 1 11 6096 1 1 16 GLN CG C 1.595 7.036 1.710 1.00 . A A . 16 GLN CG 1 1 11 6097 1 1 16 GLN H H 2.270 4.465 3.670 1.00 . A A . 16 GLN H 1 1 11 6098 1 1 16 GLN HA H 0.354 6.646 3.910 1.00 . A A . 16 GLN HA 1 1 11 6099 1 1 16 GLN HB2 H 1.373 4.883 1.687 1.00 . A A . 16 GLN HB2 1 1 11 6100 1 1 16 GLN HB3 H -0.141 5.786 1.469 1.00 . A A . 16 GLN HB3 1 1 11 6101 1 1 16 GLN HE21 H 3.443 7.010 -0.076 1.00 . A A . 16 GLN HE21 1 1 11 6102 1 1 16 GLN HE22 H 4.865 6.789 0.918 1.00 . A A . 16 GLN HE22 1 1 11 6103 1 1 16 GLN HG2 H 1.419 7.321 0.672 1.00 . A A . 16 GLN HG2 1 1 11 6104 1 1 16 GLN HG3 H 1.244 7.838 2.358 1.00 . A A . 16 GLN HG3 1 1 11 6105 1 1 16 GLN N N 1.636 5.044 4.201 1.00 . A A . 16 GLN N 1 1 11 6106 1 1 16 GLN NE2 N 3.865 6.883 0.833 1.00 . A A . 16 GLN NE2 1 1 11 6107 1 1 16 GLN O O -0.677 3.604 3.948 1.00 . A A . 16 GLN O 1 1 11 6108 1 1 16 GLN OE1 O 3.556 6.663 3.049 1.00 . A A . 16 GLN OE1 1 1 11 6109 1 1 17 ARG C C -4.116 5.137 2.897 1.00 . A A . 17 ARG C 1 1 11 6110 1 1 17 ARG CA C -3.188 4.885 4.074 1.00 . A A . 17 ARG CA 1 1 11 6111 1 1 17 ARG CB C -3.762 5.464 5.374 1.00 . A A . 17 ARG CB 1 1 11 6112 1 1 17 ARG CD C -6.285 5.433 5.124 1.00 . A A . 17 ARG CD 1 1 11 6113 1 1 17 ARG CG C -5.067 4.748 5.768 1.00 . A A . 17 ARG CG 1 1 11 6114 1 1 17 ARG CZ C -8.584 5.917 5.945 1.00 . A A . 17 ARG CZ 1 1 11 6115 1 1 17 ARG H H -1.885 6.503 3.634 1.00 . A A . 17 ARG H 1 1 11 6116 1 1 17 ARG HA H -3.049 3.816 4.194 1.00 . A A . 17 ARG HA 1 1 11 6117 1 1 17 ARG HB2 H -3.036 5.322 6.167 1.00 . A A . 17 ARG HB2 1 1 11 6118 1 1 17 ARG HB3 H -3.951 6.530 5.247 1.00 . A A . 17 ARG HB3 1 1 11 6119 1 1 17 ARG HD2 H -5.957 6.297 4.545 1.00 . A A . 17 ARG HD2 1 1 11 6120 1 1 17 ARG HD3 H -6.769 4.726 4.461 1.00 . A A . 17 ARG HD3 1 1 11 6121 1 1 17 ARG HE H -6.878 6.165 7.040 1.00 . A A . 17 ARG HE 1 1 11 6122 1 1 17 ARG HG2 H -5.022 3.709 5.442 1.00 . A A . 17 ARG HG2 1 1 11 6123 1 1 17 ARG HG3 H -5.173 4.777 6.853 1.00 . A A . 17 ARG HG3 1 1 11 6124 1 1 17 ARG HH11 H -8.505 5.348 3.986 1.00 . A A . 17 ARG HH11 1 1 11 6125 1 1 17 ARG HH12 H -10.119 5.564 4.634 1.00 . A A . 17 ARG HH12 1 1 11 6126 1 1 17 ARG HH21 H -9.011 6.523 7.845 1.00 . A A . 17 ARG HH21 1 1 11 6127 1 1 17 ARG HH22 H -10.399 6.352 6.787 1.00 . A A . 17 ARG HH22 1 1 11 6128 1 1 17 ARG N N -1.901 5.509 3.804 1.00 . A A . 17 ARG N 1 1 11 6129 1 1 17 ARG NE N -7.248 5.877 6.146 1.00 . A A . 17 ARG NE 1 1 11 6130 1 1 17 ARG NH1 N -9.107 5.582 4.758 1.00 . A A . 17 ARG NH1 1 1 11 6131 1 1 17 ARG NH2 N -9.393 6.294 6.942 1.00 . A A . 17 ARG NH2 1 1 11 6132 1 1 17 ARG O O -4.031 6.180 2.253 1.00 . A A . 17 ARG O 1 1 11 6133 1 1 18 PHE C C -7.299 3.763 1.896 1.00 . A A . 18 PHE C 1 1 11 6134 1 1 18 PHE CA C -5.919 4.271 1.495 1.00 . A A . 18 PHE CA 1 1 11 6135 1 1 18 PHE CB C -5.367 3.467 0.317 1.00 . A A . 18 PHE CB 1 1 11 6136 1 1 18 PHE CD1 C -2.897 3.154 0.756 1.00 . A A . 18 PHE CD1 1 1 11 6137 1 1 18 PHE CD2 C -3.582 4.688 -1.004 1.00 . A A . 18 PHE CD2 1 1 11 6138 1 1 18 PHE CE1 C -1.553 3.446 0.492 1.00 . A A . 18 PHE CE1 1 1 11 6139 1 1 18 PHE CE2 C -2.233 4.979 -1.269 1.00 . A A . 18 PHE CE2 1 1 11 6140 1 1 18 PHE CG C -3.915 3.773 0.010 1.00 . A A . 18 PHE CG 1 1 11 6141 1 1 18 PHE CZ C -1.219 4.359 -0.519 1.00 . A A . 18 PHE CZ 1 1 11 6142 1 1 18 PHE H H -5.025 3.343 3.196 1.00 . A A . 18 PHE H 1 1 11 6143 1 1 18 PHE HA H -6.007 5.317 1.196 1.00 . A A . 18 PHE HA 1 1 11 6144 1 1 18 PHE HB2 H -5.462 2.404 0.542 1.00 . A A . 18 PHE HB2 1 1 11 6145 1 1 18 PHE HB3 H -5.968 3.691 -0.564 1.00 . A A . 18 PHE HB3 1 1 11 6146 1 1 18 PHE HD1 H -3.153 2.460 1.540 1.00 . A A . 18 PHE HD1 1 1 11 6147 1 1 18 PHE HD2 H -4.360 5.170 -1.576 1.00 . A A . 18 PHE HD2 1 1 11 6148 1 1 18 PHE HE1 H -0.773 2.973 1.071 1.00 . A A . 18 PHE HE1 1 1 11 6149 1 1 18 PHE HE2 H -1.975 5.685 -2.046 1.00 . A A . 18 PHE HE2 1 1 11 6150 1 1 18 PHE HZ H -0.185 4.589 -0.715 1.00 . A A . 18 PHE HZ 1 1 11 6151 1 1 18 PHE N N -4.997 4.173 2.618 1.00 . A A . 18 PHE N 1 1 11 6152 1 1 18 PHE O O -7.443 3.062 2.897 1.00 . A A . 18 PHE O 1 1 11 6153 1 1 19 THR C C -9.947 2.309 0.880 1.00 . A A . 19 THR C 1 1 11 6154 1 1 19 THR CA C -9.690 3.739 1.355 1.00 . A A . 19 THR CA 1 1 11 6155 1 1 19 THR CB C -10.613 4.713 0.615 1.00 . A A . 19 THR CB 1 1 11 6156 1 1 19 THR CG2 C -10.579 6.082 1.291 1.00 . A A . 19 THR CG2 1 1 11 6157 1 1 19 THR H H -8.124 4.702 0.293 1.00 . A A . 19 THR H 1 1 11 6158 1 1 19 THR HA H -9.892 3.800 2.426 1.00 . A A . 19 THR HA 1 1 11 6159 1 1 19 THR HB H -11.636 4.329 0.631 1.00 . A A . 19 THR HB 1 1 11 6160 1 1 19 THR HG1 H -10.488 4.083 -1.225 1.00 . A A . 19 THR HG1 1 1 11 6161 1 1 19 THR HG21 H -10.908 5.986 2.324 1.00 . A A . 19 THR HG21 1 1 11 6162 1 1 19 THR HG22 H -9.564 6.477 1.268 1.00 . A A . 19 THR HG22 1 1 11 6163 1 1 19 THR HG23 H -11.245 6.763 0.762 1.00 . A A . 19 THR HG23 1 1 11 6164 1 1 19 THR N N -8.310 4.128 1.104 1.00 . A A . 19 THR N 1 1 11 6165 1 1 19 THR O O -10.864 1.654 1.372 1.00 . A A . 19 THR O 1 1 11 6166 1 1 19 THR OG1 O -10.181 4.847 -0.724 1.00 . A A . 19 THR OG1 1 1 11 6167 1 1 20 ASN C C -8.005 -0.255 -0.649 1.00 . A A . 20 ASN C 1 1 11 6168 1 1 20 ASN CA C -9.324 0.502 -0.656 1.00 . A A . 20 ASN CA 1 1 11 6169 1 1 20 ASN CB C -9.840 0.639 -2.091 1.00 . A A . 20 ASN CB 1 1 11 6170 1 1 20 ASN CG C -11.190 1.346 -2.129 1.00 . A A . 20 ASN CG 1 1 11 6171 1 1 20 ASN H H -8.399 2.405 -0.444 1.00 . A A . 20 ASN H 1 1 11 6172 1 1 20 ASN HA H -10.054 -0.052 -0.067 1.00 . A A . 20 ASN HA 1 1 11 6173 1 1 20 ASN HB2 H -9.121 1.211 -2.677 1.00 . A A . 20 ASN HB2 1 1 11 6174 1 1 20 ASN HB3 H -9.944 -0.353 -2.529 1.00 . A A . 20 ASN HB3 1 1 11 6175 1 1 20 ASN HD21 H -12.143 -0.404 -2.509 1.00 . A A . 20 ASN HD21 1 1 11 6176 1 1 20 ASN HD22 H -13.177 0.998 -2.339 1.00 . A A . 20 ASN HD22 1 1 11 6177 1 1 20 ASN N N -9.146 1.831 -0.085 1.00 . A A . 20 ASN N 1 1 11 6178 1 1 20 ASN ND2 N -12.257 0.584 -2.342 1.00 . A A . 20 ASN ND2 1 1 11 6179 1 1 20 ASN O O -6.935 0.347 -0.749 1.00 . A A . 20 ASN O 1 1 11 6180 1 1 20 ASN OD1 O -11.263 2.561 -1.967 1.00 . A A . 20 ASN OD1 1 1 11 6181 1 1 21 GLU C C -6.297 -2.417 -1.965 1.00 . A A . 21 GLU C 1 1 11 6182 1 1 21 GLU CA C -6.908 -2.436 -0.565 1.00 . A A . 21 GLU CA 1 1 11 6183 1 1 21 GLU CB C -7.295 -3.860 -0.152 1.00 . A A . 21 GLU CB 1 1 11 6184 1 1 21 GLU CD C -6.450 -5.897 1.056 1.00 . A A . 21 GLU CD 1 1 11 6185 1 1 21 GLU CG C -6.056 -4.607 0.351 1.00 . A A . 21 GLU CG 1 1 11 6186 1 1 21 GLU H H -8.991 -2.027 -0.455 1.00 . A A . 21 GLU H 1 1 11 6187 1 1 21 GLU HA H -6.182 -2.043 0.144 1.00 . A A . 21 GLU HA 1 1 11 6188 1 1 21 GLU HB2 H -8.036 -3.818 0.643 1.00 . A A . 21 GLU HB2 1 1 11 6189 1 1 21 GLU HB3 H -7.716 -4.389 -1.009 1.00 . A A . 21 GLU HB3 1 1 11 6190 1 1 21 GLU HG2 H -5.409 -4.843 -0.495 1.00 . A A . 21 GLU HG2 1 1 11 6191 1 1 21 GLU HG3 H -5.512 -3.972 1.051 1.00 . A A . 21 GLU HG3 1 1 11 6192 1 1 21 GLU N N -8.087 -1.588 -0.544 1.00 . A A . 21 GLU N 1 1 11 6193 1 1 21 GLU O O -5.101 -2.628 -2.123 1.00 . A A . 21 GLU O 1 1 11 6194 1 1 21 GLU OE1 O -6.715 -6.880 0.333 1.00 . A A . 21 GLU OE1 1 1 11 6195 1 1 21 GLU OE2 O -6.479 -5.874 2.306 1.00 . A A . 21 GLU OE2 1 1 11 6196 1 1 22 ASP C C -5.561 -1.026 -4.465 1.00 . A A . 22 ASP C 1 1 11 6197 1 1 22 ASP CA C -6.679 -2.060 -4.359 1.00 . A A . 22 ASP CA 1 1 11 6198 1 1 22 ASP CB C -7.863 -1.649 -5.237 1.00 . A A . 22 ASP CB 1 1 11 6199 1 1 22 ASP CG C -9.051 -2.582 -5.035 1.00 . A A . 22 ASP CG 1 1 11 6200 1 1 22 ASP H H -8.113 -2.004 -2.793 1.00 . A A . 22 ASP H 1 1 11 6201 1 1 22 ASP HA H -6.307 -3.032 -4.685 1.00 . A A . 22 ASP HA 1 1 11 6202 1 1 22 ASP HB2 H -8.161 -0.633 -4.976 1.00 . A A . 22 ASP HB2 1 1 11 6203 1 1 22 ASP HB3 H -7.559 -1.674 -6.283 1.00 . A A . 22 ASP HB3 1 1 11 6204 1 1 22 ASP N N -7.129 -2.153 -2.981 1.00 . A A . 22 ASP N 1 1 11 6205 1 1 22 ASP O O -4.552 -1.252 -5.134 1.00 . A A . 22 ASP O 1 1 11 6206 1 1 22 ASP OD1 O -9.730 -2.419 -3.994 1.00 . A A . 22 ASP OD1 1 1 11 6207 1 1 22 ASP OD2 O -9.258 -3.439 -5.919 1.00 . A A . 22 ASP OD2 1 1 11 6208 1 1 23 HIS C C -3.523 0.725 -3.032 1.00 . A A . 23 HIS C 1 1 11 6209 1 1 23 HIS CA C -4.760 1.182 -3.798 1.00 . A A . 23 HIS CA 1 1 11 6210 1 1 23 HIS CB C -5.361 2.432 -3.151 1.00 . A A . 23 HIS CB 1 1 11 6211 1 1 23 HIS CD2 C -7.746 3.546 -3.250 1.00 . A A . 23 HIS CD2 1 1 11 6212 1 1 23 HIS CE1 C -8.297 3.009 -5.237 1.00 . A A . 23 HIS CE1 1 1 11 6213 1 1 23 HIS CG C -6.686 2.832 -3.750 1.00 . A A . 23 HIS CG 1 1 11 6214 1 1 23 HIS H H -6.592 0.245 -3.256 1.00 . A A . 23 HIS H 1 1 11 6215 1 1 23 HIS HA H -4.482 1.408 -4.827 1.00 . A A . 23 HIS HA 1 1 11 6216 1 1 23 HIS HB2 H -5.503 2.237 -2.091 1.00 . A A . 23 HIS HB2 1 1 11 6217 1 1 23 HIS HB3 H -4.659 3.258 -3.268 1.00 . A A . 23 HIS HB3 1 1 11 6218 1 1 23 HIS HD1 H -6.524 1.963 -5.713 1.00 . A A . 23 HIS HD1 1 1 11 6219 1 1 23 HIS HD2 H -7.779 3.964 -2.255 1.00 . A A . 23 HIS HD2 1 1 11 6220 1 1 23 HIS HE1 H -8.846 2.900 -6.161 1.00 . A A . 23 HIS HE1 1 1 11 6221 1 1 23 HIS N N -5.745 0.115 -3.793 1.00 . A A . 23 HIS N 1 1 11 6222 1 1 23 HIS ND1 N -7.066 2.493 -5.046 1.00 . A A . 23 HIS ND1 1 1 11 6223 1 1 23 HIS NE2 N -8.770 3.664 -4.178 1.00 . A A . 23 HIS NE2 1 1 11 6224 1 1 23 HIS O O -2.401 1.101 -3.367 1.00 . A A . 23 HIS O 1 1 11 6225 1 1 24 LEU C C -1.848 -1.629 -2.039 1.00 . A A . 24 LEU C 1 1 11 6226 1 1 24 LEU CA C -2.655 -0.635 -1.206 1.00 . A A . 24 LEU CA 1 1 11 6227 1 1 24 LEU CB C -3.233 -1.323 0.033 1.00 . A A . 24 LEU CB 1 1 11 6228 1 1 24 LEU CD1 C -2.236 -0.029 1.922 1.00 . A A . 24 LEU CD1 1 1 11 6229 1 1 24 LEU CD2 C -2.501 -2.500 2.120 1.00 . A A . 24 LEU CD2 1 1 11 6230 1 1 24 LEU CG C -2.189 -1.348 1.162 1.00 . A A . 24 LEU CG 1 1 11 6231 1 1 24 LEU H H -4.684 -0.369 -1.771 1.00 . A A . 24 LEU H 1 1 11 6232 1 1 24 LEU HA H -2.005 0.183 -0.891 1.00 . A A . 24 LEU HA 1 1 11 6233 1 1 24 LEU HB2 H -4.117 -0.781 0.368 1.00 . A A . 24 LEU HB2 1 1 11 6234 1 1 24 LEU HB3 H -3.517 -2.343 -0.225 1.00 . A A . 24 LEU HB3 1 1 11 6235 1 1 24 LEU HD11 H -3.269 0.283 2.042 1.00 . A A . 24 LEU HD11 1 1 11 6236 1 1 24 LEU HD12 H -1.780 -0.157 2.903 1.00 . A A . 24 LEU HD12 1 1 11 6237 1 1 24 LEU HD13 H -1.691 0.729 1.365 1.00 . A A . 24 LEU HD13 1 1 11 6238 1 1 24 LEU HD21 H -3.498 -2.363 2.540 1.00 . A A . 24 LEU HD21 1 1 11 6239 1 1 24 LEU HD22 H -2.463 -3.445 1.579 1.00 . A A . 24 LEU HD22 1 1 11 6240 1 1 24 LEU HD23 H -1.767 -2.514 2.925 1.00 . A A . 24 LEU HD23 1 1 11 6241 1 1 24 LEU HG H -1.188 -1.483 0.745 1.00 . A A . 24 LEU HG 1 1 11 6242 1 1 24 LEU N N -3.737 -0.098 -2.004 1.00 . A A . 24 LEU N 1 1 11 6243 1 1 24 LEU O O -0.650 -1.770 -1.836 1.00 . A A . 24 LEU O 1 1 11 6244 1 1 25 ALA C C -0.829 -2.641 -4.721 1.00 . A A . 25 ALA C 1 1 11 6245 1 1 25 ALA CA C -1.869 -3.308 -3.823 1.00 . A A . 25 ALA CA 1 1 11 6246 1 1 25 ALA CB C -2.926 -4.030 -4.662 1.00 . A A . 25 ALA CB 1 1 11 6247 1 1 25 ALA H H -3.506 -2.159 -3.101 1.00 . A A . 25 ALA H 1 1 11 6248 1 1 25 ALA HA H -1.368 -4.041 -3.189 1.00 . A A . 25 ALA HA 1 1 11 6249 1 1 25 ALA HB1 H -3.709 -4.415 -4.009 1.00 . A A . 25 ALA HB1 1 1 11 6250 1 1 25 ALA HB2 H -3.360 -3.335 -5.380 1.00 . A A . 25 ALA HB2 1 1 11 6251 1 1 25 ALA HB3 H -2.461 -4.858 -5.199 1.00 . A A . 25 ALA HB3 1 1 11 6252 1 1 25 ALA N N -2.514 -2.320 -2.976 1.00 . A A . 25 ALA N 1 1 11 6253 1 1 25 ALA O O 0.332 -3.037 -4.710 1.00 . A A . 25 ALA O 1 1 11 6254 1 1 26 VAL C C 0.781 -0.243 -5.579 1.00 . A A . 26 VAL C 1 1 11 6255 1 1 26 VAL CA C -0.318 -0.930 -6.394 1.00 . A A . 26 VAL CA 1 1 11 6256 1 1 26 VAL CB C -1.082 0.083 -7.273 1.00 . A A . 26 VAL CB 1 1 11 6257 1 1 26 VAL CG1 C -2.078 -0.662 -8.165 1.00 . A A . 26 VAL CG1 1 1 11 6258 1 1 26 VAL CG2 C -1.839 1.101 -6.408 1.00 . A A . 26 VAL CG2 1 1 11 6259 1 1 26 VAL H H -2.208 -1.337 -5.472 1.00 . A A . 26 VAL H 1 1 11 6260 1 1 26 VAL HA H 0.150 -1.667 -7.049 1.00 . A A . 26 VAL HA 1 1 11 6261 1 1 26 VAL HB H -0.368 0.614 -7.904 1.00 . A A . 26 VAL HB 1 1 11 6262 1 1 26 VAL HG11 H -1.550 -1.414 -8.752 1.00 . A A . 26 VAL HG11 1 1 11 6263 1 1 26 VAL HG12 H -2.834 -1.148 -7.548 1.00 . A A . 26 VAL HG12 1 1 11 6264 1 1 26 VAL HG13 H -2.563 0.045 -8.839 1.00 . A A . 26 VAL HG13 1 1 11 6265 1 1 26 VAL HG21 H -2.531 0.580 -5.753 1.00 . A A . 26 VAL HG21 1 1 11 6266 1 1 26 VAL HG22 H -1.134 1.678 -5.810 1.00 . A A . 26 VAL HG22 1 1 11 6267 1 1 26 VAL HG23 H -2.398 1.778 -7.055 1.00 . A A . 26 VAL HG23 1 1 11 6268 1 1 26 VAL N N -1.240 -1.630 -5.498 1.00 . A A . 26 VAL N 1 1 11 6269 1 1 26 VAL O O 1.946 -0.230 -5.982 1.00 . A A . 26 VAL O 1 1 11 6270 1 1 27 HIS C C 2.386 -0.006 -3.037 1.00 . A A . 27 HIS C 1 1 11 6271 1 1 27 HIS CA C 1.351 0.999 -3.557 1.00 . A A . 27 HIS CA 1 1 11 6272 1 1 27 HIS CB C 0.572 1.646 -2.414 1.00 . A A . 27 HIS CB 1 1 11 6273 1 1 27 HIS CD2 C 1.701 1.901 -0.072 1.00 . A A . 27 HIS CD2 1 1 11 6274 1 1 27 HIS CE1 C 2.877 3.638 -0.433 1.00 . A A . 27 HIS CE1 1 1 11 6275 1 1 27 HIS CG C 1.456 2.251 -1.366 1.00 . A A . 27 HIS CG 1 1 11 6276 1 1 27 HIS H H -0.563 0.287 -4.144 1.00 . A A . 27 HIS H 1 1 11 6277 1 1 27 HIS HA H 1.866 1.778 -4.122 1.00 . A A . 27 HIS HA 1 1 11 6278 1 1 27 HIS HB2 H -0.068 2.428 -2.825 1.00 . A A . 27 HIS HB2 1 1 11 6279 1 1 27 HIS HB3 H -0.056 0.891 -1.945 1.00 . A A . 27 HIS HB3 1 1 11 6280 1 1 27 HIS HD1 H 2.296 3.910 -2.445 1.00 . A A . 27 HIS HD1 1 1 11 6281 1 1 27 HIS HD2 H 1.248 1.055 0.414 1.00 . A A . 27 HIS HD2 1 1 11 6282 1 1 27 HIS HE1 H 3.557 4.466 -0.307 1.00 . A A . 27 HIS HE1 1 1 11 6283 1 1 27 HIS N N 0.408 0.325 -4.428 1.00 . A A . 27 HIS N 1 1 11 6284 1 1 27 HIS ND1 N 2.231 3.382 -1.587 1.00 . A A . 27 HIS ND1 1 1 11 6285 1 1 27 HIS NE2 N 2.595 2.766 0.539 1.00 . A A . 27 HIS NE2 1 1 11 6286 1 1 27 HIS O O 3.581 0.287 -3.015 1.00 . A A . 27 HIS O 1 1 11 6287 1 1 28 LYS C C 3.730 -2.683 -3.266 1.00 . A A . 28 LYS C 1 1 11 6288 1 1 28 LYS CA C 2.801 -2.248 -2.145 1.00 . A A . 28 LYS CA 1 1 11 6289 1 1 28 LYS CB C 1.975 -3.446 -1.669 1.00 . A A . 28 LYS CB 1 1 11 6290 1 1 28 LYS CD C 0.569 -4.357 0.205 1.00 . A A . 28 LYS CD 1 1 11 6291 1 1 28 LYS CE C 1.283 -5.697 0.466 1.00 . A A . 28 LYS CE 1 1 11 6292 1 1 28 LYS CG C 1.577 -3.268 -0.203 1.00 . A A . 28 LYS CG 1 1 11 6293 1 1 28 LYS H H 0.931 -1.375 -2.655 1.00 . A A . 28 LYS H 1 1 11 6294 1 1 28 LYS HA H 3.395 -1.868 -1.312 1.00 . A A . 28 LYS HA 1 1 11 6295 1 1 28 LYS HB2 H 1.082 -3.541 -2.284 1.00 . A A . 28 LYS HB2 1 1 11 6296 1 1 28 LYS HB3 H 2.574 -4.344 -1.771 1.00 . A A . 28 LYS HB3 1 1 11 6297 1 1 28 LYS HD2 H 0.062 -4.044 1.118 1.00 . A A . 28 LYS HD2 1 1 11 6298 1 1 28 LYS HD3 H -0.171 -4.485 -0.586 1.00 . A A . 28 LYS HD3 1 1 11 6299 1 1 28 LYS HE2 H 2.201 -5.515 1.026 1.00 . A A . 28 LYS HE2 1 1 11 6300 1 1 28 LYS HE3 H 0.626 -6.331 1.063 1.00 . A A . 28 LYS HE3 1 1 11 6301 1 1 28 LYS HG2 H 2.464 -3.336 0.426 1.00 . A A . 28 LYS HG2 1 1 11 6302 1 1 28 LYS HG3 H 1.118 -2.289 -0.072 1.00 . A A . 28 LYS HG3 1 1 11 6303 1 1 28 LYS HZ1 H 0.914 -6.198 -1.489 1.00 . A A . 28 LYS HZ1 1 1 11 6304 1 1 28 LYS HZ2 H 2.524 -6.105 -1.123 1.00 . A A . 28 LYS HZ2 1 1 11 6305 1 1 28 LYS HZ3 H 1.634 -7.399 -0.620 1.00 . A A . 28 LYS HZ3 1 1 11 6306 1 1 28 LYS N N 1.922 -1.193 -2.626 1.00 . A A . 28 LYS N 1 1 11 6307 1 1 28 LYS NZ N 1.612 -6.404 -0.790 1.00 . A A . 28 LYS NZ 1 1 11 6308 1 1 28 LYS O O 4.930 -2.713 -3.080 1.00 . A A . 28 LYS O 1 1 11 6309 1 1 29 HIS C C 5.180 -2.660 -5.787 1.00 . A A . 29 HIS C 1 1 11 6310 1 1 29 HIS CA C 3.892 -3.466 -5.603 1.00 . A A . 29 HIS CA 1 1 11 6311 1 1 29 HIS CB C 2.999 -3.341 -6.840 1.00 . A A . 29 HIS CB 1 1 11 6312 1 1 29 HIS CD2 C 3.858 -3.477 -9.327 1.00 . A A . 29 HIS CD2 1 1 11 6313 1 1 29 HIS CE1 C 4.575 -5.484 -9.327 1.00 . A A . 29 HIS CE1 1 1 11 6314 1 1 29 HIS CG C 3.620 -3.960 -8.065 1.00 . A A . 29 HIS CG 1 1 11 6315 1 1 29 HIS H H 2.151 -2.977 -4.495 1.00 . A A . 29 HIS H 1 1 11 6316 1 1 29 HIS HA H 4.150 -4.515 -5.474 1.00 . A A . 29 HIS HA 1 1 11 6317 1 1 29 HIS HB2 H 2.049 -3.835 -6.641 1.00 . A A . 29 HIS HB2 1 1 11 6318 1 1 29 HIS HB3 H 2.812 -2.286 -7.037 1.00 . A A . 29 HIS HB3 1 1 11 6319 1 1 29 HIS HD1 H 4.082 -5.925 -7.320 1.00 . A A . 29 HIS HD1 1 1 11 6320 1 1 29 HIS HD2 H 3.605 -2.479 -9.651 1.00 . A A . 29 HIS HD2 1 1 11 6321 1 1 29 HIS HE1 H 5.011 -6.423 -9.637 1.00 . A A . 29 HIS HE1 1 1 11 6322 1 1 29 HIS N N 3.150 -3.021 -4.426 1.00 . A A . 29 HIS N 1 1 11 6323 1 1 29 HIS ND1 N 4.095 -5.267 -8.087 1.00 . A A . 29 HIS ND1 1 1 11 6324 1 1 29 HIS NE2 N 4.460 -4.431 -10.136 1.00 . A A . 29 HIS NE2 1 1 11 6325 1 1 29 HIS O O 6.232 -3.238 -6.035 1.00 . A A . 29 HIS O 1 1 11 6326 1 1 30 LYS C C 7.316 -0.781 -4.762 1.00 . A A . 30 LYS C 1 1 11 6327 1 1 30 LYS CA C 6.258 -0.462 -5.830 1.00 . A A . 30 LYS CA 1 1 11 6328 1 1 30 LYS CB C 5.807 1.006 -5.747 1.00 . A A . 30 LYS CB 1 1 11 6329 1 1 30 LYS CD C 7.855 1.739 -7.035 1.00 . A A . 30 LYS CD 1 1 11 6330 1 1 30 LYS CE C 8.964 2.794 -7.112 1.00 . A A . 30 LYS CE 1 1 11 6331 1 1 30 LYS CG C 7.018 1.957 -5.766 1.00 . A A . 30 LYS CG 1 1 11 6332 1 1 30 LYS H H 4.201 -0.898 -5.463 1.00 . A A . 30 LYS H 1 1 11 6333 1 1 30 LYS HA H 6.687 -0.643 -6.815 1.00 . A A . 30 LYS HA 1 1 11 6334 1 1 30 LYS HB2 H 5.161 1.232 -6.595 1.00 . A A . 30 LYS HB2 1 1 11 6335 1 1 30 LYS HB3 H 5.251 1.159 -4.822 1.00 . A A . 30 LYS HB3 1 1 11 6336 1 1 30 LYS HD2 H 8.310 0.751 -7.007 1.00 . A A . 30 LYS HD2 1 1 11 6337 1 1 30 LYS HD3 H 7.214 1.817 -7.915 1.00 . A A . 30 LYS HD3 1 1 11 6338 1 1 30 LYS HE2 H 9.368 2.966 -6.114 1.00 . A A . 30 LYS HE2 1 1 11 6339 1 1 30 LYS HE3 H 9.761 2.425 -7.758 1.00 . A A . 30 LYS HE3 1 1 11 6340 1 1 30 LYS HG2 H 6.661 2.986 -5.743 1.00 . A A . 30 LYS HG2 1 1 11 6341 1 1 30 LYS HG3 H 7.638 1.775 -4.887 1.00 . A A . 30 LYS HG3 1 1 11 6342 1 1 30 LYS HZ1 H 8.078 3.908 -8.587 1.00 . A A . 30 LYS HZ1 1 1 11 6343 1 1 30 LYS HZ2 H 7.734 4.431 -7.056 1.00 . A A . 30 LYS HZ2 1 1 11 6344 1 1 30 LYS HZ3 H 9.214 4.733 -7.717 1.00 . A A . 30 LYS HZ3 1 1 11 6345 1 1 30 LYS N N 5.093 -1.327 -5.668 1.00 . A A . 30 LYS N 1 1 11 6346 1 1 30 LYS NZ N 8.457 4.067 -7.656 1.00 . A A . 30 LYS NZ 1 1 11 6347 1 1 30 LYS O O 8.504 -0.855 -5.071 1.00 . A A . 30 LYS O 1 1 11 6348 1 1 31 HIS C C 8.391 -2.665 -2.573 1.00 . A A . 31 HIS C 1 1 11 6349 1 1 31 HIS CA C 7.804 -1.263 -2.412 1.00 . A A . 31 HIS CA 1 1 11 6350 1 1 31 HIS CB C 7.057 -1.161 -1.077 1.00 . A A . 31 HIS CB 1 1 11 6351 1 1 31 HIS CD2 C 5.409 0.784 -0.423 1.00 . A A . 31 HIS CD2 1 1 11 6352 1 1 31 HIS CE1 C 6.798 2.400 -0.394 1.00 . A A . 31 HIS CE1 1 1 11 6353 1 1 31 HIS CG C 6.626 0.242 -0.752 1.00 . A A . 31 HIS CG 1 1 11 6354 1 1 31 HIS H H 5.895 -0.900 -3.303 1.00 . A A . 31 HIS H 1 1 11 6355 1 1 31 HIS HA H 8.618 -0.536 -2.421 1.00 . A A . 31 HIS HA 1 1 11 6356 1 1 31 HIS HB2 H 6.176 -1.800 -1.113 1.00 . A A . 31 HIS HB2 1 1 11 6357 1 1 31 HIS HB3 H 7.713 -1.515 -0.281 1.00 . A A . 31 HIS HB3 1 1 11 6358 1 1 31 HIS HD1 H 8.504 1.275 -0.919 1.00 . A A . 31 HIS HD1 1 1 11 6359 1 1 31 HIS HD2 H 4.487 0.218 -0.348 1.00 . A A . 31 HIS HD2 1 1 11 6360 1 1 31 HIS HE1 H 7.231 3.384 -0.293 1.00 . A A . 31 HIS HE1 1 1 11 6361 1 1 31 HIS N N 6.887 -0.964 -3.508 1.00 . A A . 31 HIS N 1 1 11 6362 1 1 31 HIS ND1 N 7.513 1.310 -0.726 1.00 . A A . 31 HIS ND1 1 1 11 6363 1 1 31 HIS NE2 N 5.505 2.148 -0.193 1.00 . A A . 31 HIS NE2 1 1 11 6364 1 1 31 HIS O O 9.604 -2.846 -2.487 1.00 . A A . 31 HIS O 1 1 11 6365 1 1 32 GLU C C 8.386 -5.372 -4.344 1.00 . A A . 32 GLU C 1 1 11 6366 1 1 32 GLU CA C 7.919 -5.048 -2.914 1.00 . A A . 32 GLU CA 1 1 11 6367 1 1 32 GLU CB C 6.723 -5.921 -2.489 1.00 . A A . 32 GLU CB 1 1 11 6368 1 1 32 GLU CD C 4.250 -6.231 -2.979 1.00 . A A . 32 GLU CD 1 1 11 6369 1 1 32 GLU CG C 5.628 -5.902 -3.564 1.00 . A A . 32 GLU CG 1 1 11 6370 1 1 32 GLU H H 6.542 -3.437 -2.874 1.00 . A A . 32 GLU H 1 1 11 6371 1 1 32 GLU HA H 8.747 -5.235 -2.229 1.00 . A A . 32 GLU HA 1 1 11 6372 1 1 32 GLU HB2 H 7.056 -6.946 -2.331 1.00 . A A . 32 GLU HB2 1 1 11 6373 1 1 32 GLU HB3 H 6.315 -5.525 -1.559 1.00 . A A . 32 GLU HB3 1 1 11 6374 1 1 32 GLU HG2 H 5.594 -4.918 -4.014 1.00 . A A . 32 GLU HG2 1 1 11 6375 1 1 32 GLU HG3 H 5.868 -6.636 -4.333 1.00 . A A . 32 GLU HG3 1 1 11 6376 1 1 32 GLU N N 7.521 -3.654 -2.795 1.00 . A A . 32 GLU N 1 1 11 6377 1 1 32 GLU O O 8.318 -6.525 -4.771 1.00 . A A . 32 GLU O 1 1 11 6378 1 1 32 GLU OE1 O 4.157 -6.356 -1.735 1.00 . A A . 32 GLU OE1 1 1 11 6379 1 1 32 GLU OE2 O 3.306 -6.349 -3.788 1.00 . A A . 32 GLU OE2 1 1 11 6380 1 1 33 MET C C 10.756 -5.129 -6.428 1.00 . A A . 33 MET C 1 1 11 6381 1 1 33 MET CA C 9.340 -4.545 -6.447 1.00 . A A . 33 MET CA 1 1 11 6382 1 1 33 MET CB C 9.309 -3.196 -7.183 1.00 . A A . 33 MET CB 1 1 11 6383 1 1 33 MET CE C 8.245 -4.170 -11.114 1.00 . A A . 33 MET CE 1 1 11 6384 1 1 33 MET CG C 9.337 -3.422 -8.696 1.00 . A A . 33 MET CG 1 1 11 6385 1 1 33 MET H H 8.909 -3.428 -4.689 1.00 . A A . 33 MET H 1 1 11 6386 1 1 33 MET HA H 8.676 -5.242 -6.958 1.00 . A A . 33 MET HA 1 1 11 6387 1 1 33 MET HB2 H 8.399 -2.662 -6.922 1.00 . A A . 33 MET HB2 1 1 11 6388 1 1 33 MET HB3 H 10.171 -2.597 -6.888 1.00 . A A . 33 MET HB3 1 1 11 6389 1 1 33 MET HE1 H 8.495 -3.165 -11.452 1.00 . A A . 33 MET HE1 1 1 11 6390 1 1 33 MET HE2 H 9.102 -4.827 -11.256 1.00 . A A . 33 MET HE2 1 1 11 6391 1 1 33 MET HE3 H 7.399 -4.548 -11.689 1.00 . A A . 33 MET HE3 1 1 11 6392 1 1 33 MET HG2 H 9.514 -2.466 -9.183 1.00 . A A . 33 MET HG2 1 1 11 6393 1 1 33 MET HG3 H 10.159 -4.092 -8.937 1.00 . A A . 33 MET HG3 1 1 11 6394 1 1 33 MET N N 8.868 -4.357 -5.082 1.00 . A A . 33 MET N 1 1 11 6395 1 1 33 MET O O 11.700 -4.500 -6.898 1.00 . A A . 33 MET O 1 1 11 6396 1 1 33 MET SD S 7.805 -4.124 -9.359 1.00 . A A . 33 MET SD 1 1 11 6397 1 1 34 THR C C 12.757 -7.299 -7.195 1.00 . A A . 34 THR C 1 1 11 6398 1 1 34 THR CA C 12.193 -7.007 -5.793 1.00 . A A . 34 THR CA 1 1 11 6399 1 1 34 THR CB C 12.044 -8.294 -4.963 1.00 . A A . 34 THR CB 1 1 11 6400 1 1 34 THR CG2 C 11.185 -9.319 -5.709 1.00 . A A . 34 THR CG2 1 1 11 6401 1 1 34 THR H H 10.086 -6.821 -5.516 1.00 . A A . 34 THR H 1 1 11 6402 1 1 34 THR HA H 12.887 -6.342 -5.276 1.00 . A A . 34 THR HA 1 1 11 6403 1 1 34 THR HB H 11.567 -8.052 -4.012 1.00 . A A . 34 THR HB 1 1 11 6404 1 1 34 THR HG1 H 13.868 -8.178 -4.301 1.00 . A A . 34 THR HG1 1 1 11 6405 1 1 34 THR HG21 H 10.251 -8.856 -6.025 1.00 . A A . 34 THR HG21 1 1 11 6406 1 1 34 THR HG22 H 11.725 -9.681 -6.581 1.00 . A A . 34 THR HG22 1 1 11 6407 1 1 34 THR HG23 H 10.966 -10.157 -5.047 1.00 . A A . 34 THR HG23 1 1 11 6408 1 1 34 THR N N 10.899 -6.342 -5.884 1.00 . A A . 34 THR N 1 1 11 6409 1 1 34 THR O O 13.942 -7.594 -7.334 1.00 . A A . 34 THR O 1 1 11 6410 1 1 34 THR OG1 O 13.317 -8.849 -4.712 1.00 . A A . 34 THR OG1 1 1 11 6411 1 1 35 LEU C C 13.227 -6.298 -10.064 1.00 . A A . 35 LEU C 1 1 11 6412 1 1 35 LEU CA C 12.334 -7.449 -9.603 1.00 . A A . 35 LEU CA 1 1 11 6413 1 1 35 LEU CB C 11.096 -7.560 -10.514 1.00 . A A . 35 LEU CB 1 1 11 6414 1 1 35 LEU CD1 C 11.554 -9.857 -11.457 1.00 . A A . 35 LEU CD1 1 1 11 6415 1 1 35 LEU CD2 C 10.440 -9.634 -9.222 1.00 . A A . 35 LEU CD2 1 1 11 6416 1 1 35 LEU CG C 10.588 -9.013 -10.614 1.00 . A A . 35 LEU CG 1 1 11 6417 1 1 35 LEU H H 10.947 -6.967 -8.071 1.00 . A A . 35 LEU H 1 1 11 6418 1 1 35 LEU HA H 12.904 -8.374 -9.647 1.00 . A A . 35 LEU HA 1 1 11 6419 1 1 35 LEU HB2 H 10.299 -6.930 -10.114 1.00 . A A . 35 LEU HB2 1 1 11 6420 1 1 35 LEU HB3 H 11.354 -7.209 -11.512 1.00 . A A . 35 LEU HB3 1 1 11 6421 1 1 35 LEU HD11 H 11.746 -9.353 -12.404 1.00 . A A . 35 LEU HD11 1 1 11 6422 1 1 35 LEU HD12 H 12.492 -9.991 -10.921 1.00 . A A . 35 LEU HD12 1 1 11 6423 1 1 35 LEU HD13 H 11.108 -10.832 -11.650 1.00 . A A . 35 LEU HD13 1 1 11 6424 1 1 35 LEU HD21 H 9.874 -8.959 -8.580 1.00 . A A . 35 LEU HD21 1 1 11 6425 1 1 35 LEU HD22 H 9.910 -10.583 -9.304 1.00 . A A . 35 LEU HD22 1 1 11 6426 1 1 35 LEU HD23 H 11.423 -9.808 -8.791 1.00 . A A . 35 LEU HD23 1 1 11 6427 1 1 35 LEU HG H 9.613 -9.009 -11.102 1.00 . A A . 35 LEU HG 1 1 11 6428 1 1 35 LEU N N 11.908 -7.211 -8.233 1.00 . A A . 35 LEU N 1 1 11 6429 1 1 35 LEU O O 14.188 -6.515 -10.799 1.00 . A A . 35 LEU O 1 1 11 6430 1 1 36 LYS C C 13.171 -2.675 -9.212 1.00 . A A . 36 LYS C 1 1 11 6431 1 1 36 LYS CA C 13.658 -3.886 -10.009 1.00 . A A . 36 LYS CA 1 1 11 6432 1 1 36 LYS CB C 13.536 -3.629 -11.529 1.00 . A A . 36 LYS CB 1 1 11 6433 1 1 36 LYS CD C 11.995 -4.928 -13.067 1.00 . A A . 36 LYS CD 1 1 11 6434 1 1 36 LYS CE C 12.310 -4.382 -14.467 1.00 . A A . 36 LYS CE 1 1 11 6435 1 1 36 LYS CG C 12.079 -3.803 -12.023 1.00 . A A . 36 LYS CG 1 1 11 6436 1 1 36 LYS H H 12.104 -4.951 -9.021 1.00 . A A . 36 LYS H 1 1 11 6437 1 1 36 LYS HA H 14.708 -4.054 -9.770 1.00 . A A . 36 LYS HA 1 1 11 6438 1 1 36 LYS HB2 H 13.862 -2.606 -11.744 1.00 . A A . 36 LYS HB2 1 1 11 6439 1 1 36 LYS HB3 H 14.182 -4.325 -12.055 1.00 . A A . 36 LYS HB3 1 1 11 6440 1 1 36 LYS HD2 H 12.702 -5.719 -12.815 1.00 . A A . 36 LYS HD2 1 1 11 6441 1 1 36 LYS HD3 H 10.984 -5.339 -13.066 1.00 . A A . 36 LYS HD3 1 1 11 6442 1 1 36 LYS HE2 H 12.174 -5.181 -15.197 1.00 . A A . 36 LYS HE2 1 1 11 6443 1 1 36 LYS HE3 H 11.621 -3.568 -14.698 1.00 . A A . 36 LYS HE3 1 1 11 6444 1 1 36 LYS HG2 H 11.431 -4.044 -11.183 1.00 . A A . 36 LYS HG2 1 1 11 6445 1 1 36 LYS HG3 H 11.737 -2.870 -12.476 1.00 . A A . 36 LYS HG3 1 1 11 6446 1 1 36 LYS HZ1 H 14.337 -4.626 -14.317 1.00 . A A . 36 LYS HZ1 1 1 11 6447 1 1 36 LYS HZ2 H 13.879 -3.566 -15.497 1.00 . A A . 36 LYS HZ2 1 1 11 6448 1 1 36 LYS HZ3 H 13.818 -3.114 -13.912 1.00 . A A . 36 LYS HZ3 1 1 11 6449 1 1 36 LYS N N 12.900 -5.069 -9.632 1.00 . A A . 36 LYS N 1 1 11 6450 1 1 36 LYS NZ N 13.694 -3.883 -14.555 1.00 . A A . 36 LYS NZ 1 1 11 6451 1 1 36 LYS O O 13.468 -2.547 -8.028 1.00 . A A . 36 LYS O 1 1 11 6452 1 1 37 PHE C C 10.855 -0.009 -10.231 1.00 . A A . 37 PHE C 1 1 11 6453 1 1 37 PHE CA C 11.916 -0.579 -9.284 1.00 . A A . 37 PHE CA 1 1 11 6454 1 1 37 PHE CB C 13.079 0.410 -9.033 1.00 . A A . 37 PHE CB 1 1 11 6455 1 1 37 PHE CD1 C 14.885 -0.107 -10.742 1.00 . A A . 37 PHE CD1 1 1 11 6456 1 1 37 PHE CD2 C 13.627 1.967 -10.971 1.00 . A A . 37 PHE CD2 1 1 11 6457 1 1 37 PHE CE1 C 15.627 0.219 -11.891 1.00 . A A . 37 PHE CE1 1 1 11 6458 1 1 37 PHE CE2 C 14.370 2.289 -12.119 1.00 . A A . 37 PHE CE2 1 1 11 6459 1 1 37 PHE CG C 13.877 0.763 -10.281 1.00 . A A . 37 PHE CG 1 1 11 6460 1 1 37 PHE CZ C 15.368 1.415 -12.579 1.00 . A A . 37 PHE CZ 1 1 11 6461 1 1 37 PHE H H 12.219 -1.952 -10.847 1.00 . A A . 37 PHE H 1 1 11 6462 1 1 37 PHE HA H 11.445 -0.822 -8.331 1.00 . A A . 37 PHE HA 1 1 11 6463 1 1 37 PHE HB2 H 12.678 1.325 -8.601 1.00 . A A . 37 PHE HB2 1 1 11 6464 1 1 37 PHE HB3 H 13.759 -0.037 -8.309 1.00 . A A . 37 PHE HB3 1 1 11 6465 1 1 37 PHE HD1 H 15.089 -1.024 -10.212 1.00 . A A . 37 PHE HD1 1 1 11 6466 1 1 37 PHE HD2 H 12.865 2.647 -10.618 1.00 . A A . 37 PHE HD2 1 1 11 6467 1 1 37 PHE HE1 H 16.399 -0.451 -12.242 1.00 . A A . 37 PHE HE1 1 1 11 6468 1 1 37 PHE HE2 H 14.175 3.212 -12.647 1.00 . A A . 37 PHE HE2 1 1 11 6469 1 1 37 PHE HZ H 15.941 1.664 -13.461 1.00 . A A . 37 PHE HZ 1 1 11 6470 1 1 37 PHE N N 12.433 -1.787 -9.880 1.00 . A A . 37 PHE N 1 1 11 6471 1 1 37 PHE O O 10.189 -0.765 -10.938 1.00 . A A . 37 PHE O 1 1 11 6472 1 1 38 GLY C C 9.362 3.322 -10.487 1.00 . A A . 38 GLY C 1 1 11 6473 1 1 38 GLY CA C 9.727 1.973 -11.092 1.00 . A A . 38 GLY CA 1 1 11 6474 1 1 38 GLY H H 11.282 1.877 -9.660 1.00 . A A . 38 GLY H 1 1 11 6475 1 1 38 GLY HA2 H 10.149 2.124 -12.086 1.00 . A A . 38 GLY HA2 1 1 11 6476 1 1 38 GLY HA3 H 8.830 1.357 -11.169 1.00 . A A . 38 GLY HA3 1 1 11 6477 1 1 38 GLY N N 10.703 1.309 -10.248 1.00 . A A . 38 GLY N 1 1 11 6478 1 1 38 GLY O O 8.144 3.531 -10.295 1.00 . A A . 38 GLY O 1 1 11 6479 1 1 38 GLY OXT O 10.286 3.927 -9.898 1.00 . A A . 38 GLY OXT 1 1 12 6480 1 1 1 MET C C -5.675 2.535 15.897 1.00 . A A . 1 MET C 1 1 12 6481 1 1 1 MET CA C -4.255 3.094 15.927 1.00 . A A . 1 MET CA 1 1 12 6482 1 1 1 MET CB C -3.604 2.975 14.543 1.00 . A A . 1 MET CB 1 1 12 6483 1 1 1 MET CE C -2.634 4.431 11.795 1.00 . A A . 1 MET CE 1 1 12 6484 1 1 1 MET CG C -2.337 3.836 14.482 1.00 . A A . 1 MET CG 1 1 12 6485 1 1 1 MET H1 H -3.910 2.461 17.842 1.00 . A A . 1 MET H1 1 1 12 6486 1 1 1 MET H2 H -3.376 1.410 16.689 1.00 . A A . 1 MET H2 1 1 12 6487 1 1 1 MET H3 H -2.535 2.794 16.995 1.00 . A A . 1 MET H3 1 1 12 6488 1 1 1 MET HA H -4.304 4.149 16.199 1.00 . A A . 1 MET HA 1 1 12 6489 1 1 1 MET HB2 H -3.342 1.933 14.350 1.00 . A A . 1 MET HB2 1 1 12 6490 1 1 1 MET HB3 H -4.309 3.316 13.784 1.00 . A A . 1 MET HB3 1 1 12 6491 1 1 1 MET HE1 H -2.922 5.416 12.162 1.00 . A A . 1 MET HE1 1 1 12 6492 1 1 1 MET HE2 H -2.193 4.528 10.804 1.00 . A A . 1 MET HE2 1 1 12 6493 1 1 1 MET HE3 H -3.513 3.792 11.738 1.00 . A A . 1 MET HE3 1 1 12 6494 1 1 1 MET HG2 H -2.617 4.880 14.627 1.00 . A A . 1 MET HG2 1 1 12 6495 1 1 1 MET HG3 H -1.675 3.540 15.293 1.00 . A A . 1 MET HG3 1 1 12 6496 1 1 1 MET N N -3.455 2.384 16.943 1.00 . A A . 1 MET N 1 1 12 6497 1 1 1 MET O O -6.613 3.204 16.322 1.00 . A A . 1 MET O 1 1 12 6498 1 1 1 MET SD S -1.422 3.698 12.923 1.00 . A A . 1 MET SD 1 1 12 6499 1 1 2 SER C C -6.905 -0.858 15.176 1.00 . A A . 2 SER C 1 1 12 6500 1 1 2 SER CA C -7.120 0.648 15.311 1.00 . A A . 2 SER CA 1 1 12 6501 1 1 2 SER CB C -7.898 1.205 14.113 1.00 . A A . 2 SER CB 1 1 12 6502 1 1 2 SER H H -5.018 0.800 15.057 1.00 . A A . 2 SER H 1 1 12 6503 1 1 2 SER HA H -7.681 0.846 16.226 1.00 . A A . 2 SER HA 1 1 12 6504 1 1 2 SER HB2 H -7.884 2.295 14.143 1.00 . A A . 2 SER HB2 1 1 12 6505 1 1 2 SER HB3 H -7.433 0.863 13.189 1.00 . A A . 2 SER HB3 1 1 12 6506 1 1 2 SER HG H -9.653 1.118 14.948 1.00 . A A . 2 SER HG 1 1 12 6507 1 1 2 SER N N -5.825 1.305 15.395 1.00 . A A . 2 SER N 1 1 12 6508 1 1 2 SER O O -5.770 -1.329 15.249 1.00 . A A . 2 SER O 1 1 12 6509 1 1 2 SER OG O -9.237 0.756 14.160 1.00 . A A . 2 SER OG 1 1 12 6510 1 1 3 ASP C C -7.532 -3.428 13.407 1.00 . A A . 3 ASP C 1 1 12 6511 1 1 3 ASP CA C -7.930 -3.059 14.838 1.00 . A A . 3 ASP CA 1 1 12 6512 1 1 3 ASP CB C -9.297 -3.660 15.192 1.00 . A A . 3 ASP CB 1 1 12 6513 1 1 3 ASP CG C -9.871 -3.030 16.454 1.00 . A A . 3 ASP CG 1 1 12 6514 1 1 3 ASP H H -8.900 -1.162 14.917 1.00 . A A . 3 ASP H 1 1 12 6515 1 1 3 ASP HA H -7.182 -3.452 15.529 1.00 . A A . 3 ASP HA 1 1 12 6516 1 1 3 ASP HB2 H -9.987 -3.487 14.367 1.00 . A A . 3 ASP HB2 1 1 12 6517 1 1 3 ASP HB3 H -9.189 -4.734 15.345 1.00 . A A . 3 ASP HB3 1 1 12 6518 1 1 3 ASP N N -7.993 -1.609 14.976 1.00 . A A . 3 ASP N 1 1 12 6519 1 1 3 ASP O O -8.221 -4.209 12.752 1.00 . A A . 3 ASP O 1 1 12 6520 1 1 3 ASP OD1 O -9.455 -3.463 17.548 1.00 . A A . 3 ASP OD1 1 1 12 6521 1 1 3 ASP OD2 O -10.721 -2.122 16.296 1.00 . A A . 3 ASP OD2 1 1 12 6522 1 1 4 ASP C C -7.057 -2.878 10.550 1.00 . A A . 4 ASP C 1 1 12 6523 1 1 4 ASP CA C -5.926 -3.085 11.565 1.00 . A A . 4 ASP CA 1 1 12 6524 1 1 4 ASP CB C -5.339 -4.499 11.465 1.00 . A A . 4 ASP CB 1 1 12 6525 1 1 4 ASP CG C -4.191 -4.683 12.449 1.00 . A A . 4 ASP CG 1 1 12 6526 1 1 4 ASP H H -5.888 -2.227 13.516 1.00 . A A . 4 ASP H 1 1 12 6527 1 1 4 ASP HA H -5.136 -2.364 11.353 1.00 . A A . 4 ASP HA 1 1 12 6528 1 1 4 ASP HB2 H -6.118 -5.230 11.680 1.00 . A A . 4 ASP HB2 1 1 12 6529 1 1 4 ASP HB3 H -4.968 -4.662 10.453 1.00 . A A . 4 ASP HB3 1 1 12 6530 1 1 4 ASP N N -6.417 -2.852 12.923 1.00 . A A . 4 ASP N 1 1 12 6531 1 1 4 ASP O O -7.115 -3.560 9.529 1.00 . A A . 4 ASP O 1 1 12 6532 1 1 4 ASP OD1 O -3.137 -4.049 12.217 1.00 . A A . 4 ASP OD1 1 1 12 6533 1 1 4 ASP OD2 O -4.387 -5.451 13.416 1.00 . A A . 4 ASP OD2 1 1 12 6534 1 1 5 LYS C C -8.660 -0.758 8.787 1.00 . A A . 5 LYS C 1 1 12 6535 1 1 5 LYS CA C -9.089 -1.635 9.981 1.00 . A A . 5 LYS CA 1 1 12 6536 1 1 5 LYS CB C -10.202 -0.978 10.810 1.00 . A A . 5 LYS CB 1 1 12 6537 1 1 5 LYS CD C -11.697 -1.495 12.752 1.00 . A A . 5 LYS CD 1 1 12 6538 1 1 5 LYS CE C -12.607 -2.553 13.384 1.00 . A A . 5 LYS CE 1 1 12 6539 1 1 5 LYS CG C -11.041 -2.064 11.490 1.00 . A A . 5 LYS CG 1 1 12 6540 1 1 5 LYS H H -7.857 -1.400 11.695 1.00 . A A . 5 LYS H 1 1 12 6541 1 1 5 LYS HA H -9.473 -2.576 9.585 1.00 . A A . 5 LYS HA 1 1 12 6542 1 1 5 LYS HB2 H -9.764 -0.339 11.572 1.00 . A A . 5 LYS HB2 1 1 12 6543 1 1 5 LYS HB3 H -10.842 -0.380 10.158 1.00 . A A . 5 LYS HB3 1 1 12 6544 1 1 5 LYS HD2 H -10.921 -1.211 13.465 1.00 . A A . 5 LYS HD2 1 1 12 6545 1 1 5 LYS HD3 H -12.288 -0.616 12.490 1.00 . A A . 5 LYS HD3 1 1 12 6546 1 1 5 LYS HE2 H -13.512 -2.653 12.784 1.00 . A A . 5 LYS HE2 1 1 12 6547 1 1 5 LYS HE3 H -12.085 -3.510 13.403 1.00 . A A . 5 LYS HE3 1 1 12 6548 1 1 5 LYS HG2 H -11.812 -2.413 10.802 1.00 . A A . 5 LYS HG2 1 1 12 6549 1 1 5 LYS HG3 H -10.398 -2.901 11.766 1.00 . A A . 5 LYS HG3 1 1 12 6550 1 1 5 LYS HZ1 H -13.456 -1.292 14.754 1.00 . A A . 5 LYS HZ1 1 1 12 6551 1 1 5 LYS HZ2 H -13.578 -2.886 15.154 1.00 . A A . 5 LYS HZ2 1 1 12 6552 1 1 5 LYS HZ3 H -12.134 -2.101 15.327 1.00 . A A . 5 LYS HZ3 1 1 12 6553 1 1 5 LYS N N -7.959 -1.931 10.843 1.00 . A A . 5 LYS N 1 1 12 6554 1 1 5 LYS NZ N -12.974 -2.179 14.762 1.00 . A A . 5 LYS NZ 1 1 12 6555 1 1 5 LYS O O -8.950 -1.120 7.648 1.00 . A A . 5 LYS O 1 1 12 6556 1 1 6 PRO C C -6.466 0.532 7.096 1.00 . A A . 6 PRO C 1 1 12 6557 1 1 6 PRO CA C -7.538 1.243 7.918 1.00 . A A . 6 PRO CA 1 1 12 6558 1 1 6 PRO CB C -6.982 2.513 8.568 1.00 . A A . 6 PRO CB 1 1 12 6559 1 1 6 PRO CD C -7.595 0.904 10.318 1.00 . A A . 6 PRO CD 1 1 12 6560 1 1 6 PRO CG C -6.881 2.232 10.069 1.00 . A A . 6 PRO CG 1 1 12 6561 1 1 6 PRO HA H -8.388 1.494 7.283 1.00 . A A . 6 PRO HA 1 1 12 6562 1 1 6 PRO HB2 H -5.998 2.747 8.161 1.00 . A A . 6 PRO HB2 1 1 12 6563 1 1 6 PRO HB3 H -7.664 3.344 8.394 1.00 . A A . 6 PRO HB3 1 1 12 6564 1 1 6 PRO HD2 H -6.919 0.213 10.817 1.00 . A A . 6 PRO HD2 1 1 12 6565 1 1 6 PRO HD3 H -8.479 1.074 10.926 1.00 . A A . 6 PRO HD3 1 1 12 6566 1 1 6 PRO HG2 H -5.832 2.150 10.361 1.00 . A A . 6 PRO HG2 1 1 12 6567 1 1 6 PRO HG3 H -7.364 3.030 10.634 1.00 . A A . 6 PRO HG3 1 1 12 6568 1 1 6 PRO N N -7.971 0.395 9.010 1.00 . A A . 6 PRO N 1 1 12 6569 1 1 6 PRO O O -5.614 -0.162 7.654 1.00 . A A . 6 PRO O 1 1 12 6570 1 1 7 PHE C C -4.218 0.853 4.972 1.00 . A A . 7 PHE C 1 1 12 6571 1 1 7 PHE CA C -5.534 0.085 4.887 1.00 . A A . 7 PHE CA 1 1 12 6572 1 1 7 PHE CB C -6.082 0.070 3.457 1.00 . A A . 7 PHE CB 1 1 12 6573 1 1 7 PHE CD1 C -7.293 -2.137 3.224 1.00 . A A . 7 PHE CD1 1 1 12 6574 1 1 7 PHE CD2 C -8.605 -0.087 3.295 1.00 . A A . 7 PHE CD2 1 1 12 6575 1 1 7 PHE CE1 C -8.474 -2.888 3.106 1.00 . A A . 7 PHE CE1 1 1 12 6576 1 1 7 PHE CE2 C -9.786 -0.840 3.175 1.00 . A A . 7 PHE CE2 1 1 12 6577 1 1 7 PHE CG C -7.356 -0.735 3.319 1.00 . A A . 7 PHE CG 1 1 12 6578 1 1 7 PHE CZ C -9.720 -2.240 3.080 1.00 . A A . 7 PHE CZ 1 1 12 6579 1 1 7 PHE H H -7.222 1.284 5.360 1.00 . A A . 7 PHE H 1 1 12 6580 1 1 7 PHE HA H -5.366 -0.943 5.210 1.00 . A A . 7 PHE HA 1 1 12 6581 1 1 7 PHE HB2 H -6.277 1.096 3.143 1.00 . A A . 7 PHE HB2 1 1 12 6582 1 1 7 PHE HB3 H -5.328 -0.358 2.798 1.00 . A A . 7 PHE HB3 1 1 12 6583 1 1 7 PHE HD1 H -6.336 -2.638 3.246 1.00 . A A . 7 PHE HD1 1 1 12 6584 1 1 7 PHE HD2 H -8.658 0.988 3.369 1.00 . A A . 7 PHE HD2 1 1 12 6585 1 1 7 PHE HE1 H -8.423 -3.966 3.035 1.00 . A A . 7 PHE HE1 1 1 12 6586 1 1 7 PHE HE2 H -10.744 -0.342 3.155 1.00 . A A . 7 PHE HE2 1 1 12 6587 1 1 7 PHE HZ H -10.627 -2.819 2.988 1.00 . A A . 7 PHE HZ 1 1 12 6588 1 1 7 PHE N N -6.505 0.706 5.770 1.00 . A A . 7 PHE N 1 1 12 6589 1 1 7 PHE O O -3.951 1.725 4.147 1.00 . A A . 7 PHE O 1 1 12 6590 1 1 8 LEU C C -1.021 0.361 5.510 1.00 . A A . 8 LEU C 1 1 12 6591 1 1 8 LEU CA C -2.120 1.169 6.200 1.00 . A A . 8 LEU CA 1 1 12 6592 1 1 8 LEU CB C -1.863 1.267 7.710 1.00 . A A . 8 LEU CB 1 1 12 6593 1 1 8 LEU CD1 C -0.996 3.625 7.818 1.00 . A A . 8 LEU CD1 1 1 12 6594 1 1 8 LEU CD2 C -0.161 1.908 9.428 1.00 . A A . 8 LEU CD2 1 1 12 6595 1 1 8 LEU CG C -0.634 2.146 7.993 1.00 . A A . 8 LEU CG 1 1 12 6596 1 1 8 LEU H H -3.688 -0.200 6.630 1.00 . A A . 8 LEU H 1 1 12 6597 1 1 8 LEU HA H -2.149 2.172 5.777 1.00 . A A . 8 LEU HA 1 1 12 6598 1 1 8 LEU HB2 H -2.736 1.699 8.199 1.00 . A A . 8 LEU HB2 1 1 12 6599 1 1 8 LEU HB3 H -1.689 0.266 8.108 1.00 . A A . 8 LEU HB3 1 1 12 6600 1 1 8 LEU HD11 H -1.888 3.854 8.400 1.00 . A A . 8 LEU HD11 1 1 12 6601 1 1 8 LEU HD12 H -0.169 4.244 8.167 1.00 . A A . 8 LEU HD12 1 1 12 6602 1 1 8 LEU HD13 H -1.185 3.836 6.767 1.00 . A A . 8 LEU HD13 1 1 12 6603 1 1 8 LEU HD21 H -0.968 2.145 10.122 1.00 . A A . 8 LEU HD21 1 1 12 6604 1 1 8 LEU HD22 H 0.125 0.862 9.549 1.00 . A A . 8 LEU HD22 1 1 12 6605 1 1 8 LEU HD23 H 0.697 2.544 9.640 1.00 . A A . 8 LEU HD23 1 1 12 6606 1 1 8 LEU HG H 0.170 1.886 7.304 1.00 . A A . 8 LEU HG 1 1 12 6607 1 1 8 LEU N N -3.405 0.525 5.983 1.00 . A A . 8 LEU N 1 1 12 6608 1 1 8 LEU O O -0.863 -0.829 5.777 1.00 . A A . 8 LEU O 1 1 12 6609 1 1 9 CYS C C 1.911 -0.072 4.870 1.00 . A A . 9 CYS C 1 1 12 6610 1 1 9 CYS CA C 0.813 0.348 3.893 1.00 . A A . 9 CYS CA 1 1 12 6611 1 1 9 CYS CB C 1.351 1.294 2.816 1.00 . A A . 9 CYS CB 1 1 12 6612 1 1 9 CYS H H -0.438 1.989 4.434 1.00 . A A . 9 CYS H 1 1 12 6613 1 1 9 CYS HA H 0.416 -0.544 3.407 1.00 . A A . 9 CYS HA 1 1 12 6614 1 1 9 CYS HB2 H 0.754 1.185 1.912 1.00 . A A . 9 CYS HB2 1 1 12 6615 1 1 9 CYS HB3 H 1.286 2.319 3.165 1.00 . A A . 9 CYS HB3 1 1 12 6616 1 1 9 CYS N N -0.264 1.009 4.619 1.00 . A A . 9 CYS N 1 1 12 6617 1 1 9 CYS O O 2.312 0.706 5.730 1.00 . A A . 9 CYS O 1 1 12 6618 1 1 9 CYS SG S 3.080 0.886 2.454 1.00 . A A . 9 CYS SG 1 1 12 6619 1 1 10 THR C C 4.795 -1.273 5.261 1.00 . A A . 10 THR C 1 1 12 6620 1 1 10 THR CA C 3.419 -1.871 5.589 1.00 . A A . 10 THR CA 1 1 12 6621 1 1 10 THR CB C 3.428 -3.402 5.416 1.00 . A A . 10 THR CB 1 1 12 6622 1 1 10 THR CG2 C 4.017 -4.062 6.664 1.00 . A A . 10 THR CG2 1 1 12 6623 1 1 10 THR H H 2.025 -1.902 3.991 1.00 . A A . 10 THR H 1 1 12 6624 1 1 10 THR HA H 3.169 -1.636 6.626 1.00 . A A . 10 THR HA 1 1 12 6625 1 1 10 THR HB H 4.032 -3.667 4.548 1.00 . A A . 10 THR HB 1 1 12 6626 1 1 10 THR HG1 H 1.579 -3.628 5.985 1.00 . A A . 10 THR HG1 1 1 12 6627 1 1 10 THR HG21 H 5.033 -3.700 6.823 1.00 . A A . 10 THR HG21 1 1 12 6628 1 1 10 THR HG22 H 3.404 -3.815 7.532 1.00 . A A . 10 THR HG22 1 1 12 6629 1 1 10 THR HG23 H 4.034 -5.143 6.529 1.00 . A A . 10 THR HG23 1 1 12 6630 1 1 10 THR N N 2.391 -1.314 4.723 1.00 . A A . 10 THR N 1 1 12 6631 1 1 10 THR O O 5.655 -1.956 4.709 1.00 . A A . 10 THR O 1 1 12 6632 1 1 10 THR OG1 O 2.107 -3.866 5.216 1.00 . A A . 10 THR OG1 1 1 12 6633 1 1 11 ALA C C 6.429 1.793 6.428 1.00 . A A . 11 ALA C 1 1 12 6634 1 1 11 ALA CA C 6.279 0.665 5.400 1.00 . A A . 11 ALA CA 1 1 12 6635 1 1 11 ALA CB C 6.339 1.212 3.977 1.00 . A A . 11 ALA CB 1 1 12 6636 1 1 11 ALA H H 4.258 0.531 6.047 1.00 . A A . 11 ALA H 1 1 12 6637 1 1 11 ALA HA H 7.079 -0.060 5.535 1.00 . A A . 11 ALA HA 1 1 12 6638 1 1 11 ALA HB1 H 5.511 1.899 3.819 1.00 . A A . 11 ALA HB1 1 1 12 6639 1 1 11 ALA HB2 H 7.282 1.740 3.830 1.00 . A A . 11 ALA HB2 1 1 12 6640 1 1 11 ALA HB3 H 6.271 0.389 3.266 1.00 . A A . 11 ALA HB3 1 1 12 6641 1 1 11 ALA N N 5.003 0.002 5.612 1.00 . A A . 11 ALA N 1 1 12 6642 1 1 11 ALA O O 5.460 2.498 6.699 1.00 . A A . 11 ALA O 1 1 12 6643 1 1 12 PRO C C 7.790 4.380 7.416 1.00 . A A . 12 PRO C 1 1 12 6644 1 1 12 PRO CA C 7.883 2.980 8.019 1.00 . A A . 12 PRO CA 1 1 12 6645 1 1 12 PRO CB C 9.292 2.692 8.543 1.00 . A A . 12 PRO CB 1 1 12 6646 1 1 12 PRO CD C 8.801 1.160 6.703 1.00 . A A . 12 PRO CD 1 1 12 6647 1 1 12 PRO CG C 9.943 1.761 7.518 1.00 . A A . 12 PRO CG 1 1 12 6648 1 1 12 PRO HA H 7.160 2.879 8.830 1.00 . A A . 12 PRO HA 1 1 12 6649 1 1 12 PRO HB2 H 9.864 3.616 8.635 1.00 . A A . 12 PRO HB2 1 1 12 6650 1 1 12 PRO HB3 H 9.232 2.192 9.510 1.00 . A A . 12 PRO HB3 1 1 12 6651 1 1 12 PRO HD2 H 9.030 1.211 5.638 1.00 . A A . 12 PRO HD2 1 1 12 6652 1 1 12 PRO HD3 H 8.634 0.125 7.005 1.00 . A A . 12 PRO HD3 1 1 12 6653 1 1 12 PRO HG2 H 10.601 2.334 6.863 1.00 . A A . 12 PRO HG2 1 1 12 6654 1 1 12 PRO HG3 H 10.506 0.975 8.022 1.00 . A A . 12 PRO HG3 1 1 12 6655 1 1 12 PRO N N 7.635 1.965 7.010 1.00 . A A . 12 PRO N 1 1 12 6656 1 1 12 PRO O O 6.855 5.123 7.706 1.00 . A A . 12 PRO O 1 1 12 6657 1 1 13 GLY C C 7.864 6.155 4.766 1.00 . A A . 13 GLY C 1 1 12 6658 1 1 13 GLY CA C 8.821 6.058 5.955 1.00 . A A . 13 GLY CA 1 1 12 6659 1 1 13 GLY H H 9.508 4.085 6.360 1.00 . A A . 13 GLY H 1 1 12 6660 1 1 13 GLY HA2 H 8.549 6.813 6.695 1.00 . A A . 13 GLY HA2 1 1 12 6661 1 1 13 GLY HA3 H 9.837 6.249 5.611 1.00 . A A . 13 GLY HA3 1 1 12 6662 1 1 13 GLY N N 8.770 4.740 6.573 1.00 . A A . 13 GLY N 1 1 12 6663 1 1 13 GLY O O 8.033 7.019 3.910 1.00 . A A . 13 GLY O 1 1 12 6664 1 1 14 CYS C C 4.598 4.632 4.078 1.00 . A A . 14 CYS C 1 1 12 6665 1 1 14 CYS CA C 5.882 5.302 3.628 1.00 . A A . 14 CYS CA 1 1 12 6666 1 1 14 CYS CB C 6.453 4.580 2.420 1.00 . A A . 14 CYS CB 1 1 12 6667 1 1 14 CYS H H 6.761 4.572 5.424 1.00 . A A . 14 CYS H 1 1 12 6668 1 1 14 CYS HA H 5.669 6.337 3.360 1.00 . A A . 14 CYS HA 1 1 12 6669 1 1 14 CYS HB2 H 7.499 4.830 2.313 1.00 . A A . 14 CYS HB2 1 1 12 6670 1 1 14 CYS HB3 H 6.350 3.505 2.560 1.00 . A A . 14 CYS HB3 1 1 12 6671 1 1 14 CYS N N 6.857 5.276 4.706 1.00 . A A . 14 CYS N 1 1 12 6672 1 1 14 CYS O O 3.975 3.898 3.309 1.00 . A A . 14 CYS O 1 1 12 6673 1 1 14 CYS SG S 5.546 5.100 0.944 1.00 . A A . 14 CYS SG 1 1 12 6674 1 1 15 GLY C C 1.771 5.048 5.395 1.00 . A A . 15 GLY C 1 1 12 6675 1 1 15 GLY CA C 3.003 4.280 5.865 1.00 . A A . 15 GLY CA 1 1 12 6676 1 1 15 GLY H H 4.742 5.492 5.914 1.00 . A A . 15 GLY H 1 1 12 6677 1 1 15 GLY HA2 H 2.938 3.248 5.525 1.00 . A A . 15 GLY HA2 1 1 12 6678 1 1 15 GLY HA3 H 3.054 4.300 6.951 1.00 . A A . 15 GLY HA3 1 1 12 6679 1 1 15 GLY N N 4.200 4.877 5.322 1.00 . A A . 15 GLY N 1 1 12 6680 1 1 15 GLY O O 1.037 5.602 6.210 1.00 . A A . 15 GLY O 1 1 12 6681 1 1 16 GLN C C -0.868 4.988 3.803 1.00 . A A . 16 GLN C 1 1 12 6682 1 1 16 GLN CA C 0.406 5.772 3.505 1.00 . A A . 16 GLN CA 1 1 12 6683 1 1 16 GLN CB C 0.611 5.940 1.998 1.00 . A A . 16 GLN CB 1 1 12 6684 1 1 16 GLN CD C 1.915 7.224 0.255 1.00 . A A . 16 GLN CD 1 1 12 6685 1 1 16 GLN CG C 1.771 6.911 1.741 1.00 . A A . 16 GLN CG 1 1 12 6686 1 1 16 GLN H H 2.184 4.608 3.448 1.00 . A A . 16 GLN H 1 1 12 6687 1 1 16 GLN HA H 0.327 6.759 3.963 1.00 . A A . 16 GLN HA 1 1 12 6688 1 1 16 GLN HB2 H 0.841 4.973 1.549 1.00 . A A . 16 GLN HB2 1 1 12 6689 1 1 16 GLN HB3 H -0.301 6.339 1.552 1.00 . A A . 16 GLN HB3 1 1 12 6690 1 1 16 GLN HE21 H 2.988 8.356 -1.050 1.00 . A A . 16 GLN HE21 1 1 12 6691 1 1 16 GLN HE22 H 3.406 8.555 0.637 1.00 . A A . 16 GLN HE22 1 1 12 6692 1 1 16 GLN HG2 H 1.585 7.839 2.282 1.00 . A A . 16 GLN HG2 1 1 12 6693 1 1 16 GLN HG3 H 2.697 6.466 2.104 1.00 . A A . 16 GLN HG3 1 1 12 6694 1 1 16 GLN N N 1.547 5.079 4.076 1.00 . A A . 16 GLN N 1 1 12 6695 1 1 16 GLN NE2 N 2.847 8.117 -0.079 1.00 . A A . 16 GLN NE2 1 1 12 6696 1 1 16 GLN O O -0.813 3.784 4.068 1.00 . A A . 16 GLN O 1 1 12 6697 1 1 16 GLN OE1 O 1.202 6.669 -0.575 1.00 . A A . 16 GLN OE1 1 1 12 6698 1 1 17 ARG C C -4.211 5.249 2.850 1.00 . A A . 17 ARG C 1 1 12 6699 1 1 17 ARG CA C -3.305 5.082 4.055 1.00 . A A . 17 ARG CA 1 1 12 6700 1 1 17 ARG CB C -3.906 5.756 5.297 1.00 . A A . 17 ARG CB 1 1 12 6701 1 1 17 ARG CD C -6.420 5.856 5.135 1.00 . A A . 17 ARG CD 1 1 12 6702 1 1 17 ARG CG C -5.224 5.074 5.697 1.00 . A A . 17 ARG CG 1 1 12 6703 1 1 17 ARG CZ C -8.493 5.073 6.256 1.00 . A A . 17 ARG CZ 1 1 12 6704 1 1 17 ARG H H -1.984 6.657 3.516 1.00 . A A . 17 ARG H 1 1 12 6705 1 1 17 ARG HA H -3.174 4.022 4.257 1.00 . A A . 17 ARG HA 1 1 12 6706 1 1 17 ARG HB2 H -3.200 5.668 6.119 1.00 . A A . 17 ARG HB2 1 1 12 6707 1 1 17 ARG HB3 H -4.087 6.811 5.089 1.00 . A A . 17 ARG HB3 1 1 12 6708 1 1 17 ARG HD2 H -6.548 6.778 5.703 1.00 . A A . 17 ARG HD2 1 1 12 6709 1 1 17 ARG HD3 H -6.230 6.111 4.093 1.00 . A A . 17 ARG HD3 1 1 12 6710 1 1 17 ARG HE H -7.860 4.454 4.417 1.00 . A A . 17 ARG HE 1 1 12 6711 1 1 17 ARG HG2 H -5.240 4.056 5.310 1.00 . A A . 17 ARG HG2 1 1 12 6712 1 1 17 ARG HG3 H -5.296 5.045 6.785 1.00 . A A . 17 ARG HG3 1 1 12 6713 1 1 17 ARG HH11 H -7.338 6.306 7.404 1.00 . A A . 17 ARG HH11 1 1 12 6714 1 1 17 ARG HH12 H -8.863 5.837 8.116 1.00 . A A . 17 ARG HH12 1 1 12 6715 1 1 17 ARG HH21 H -9.843 3.811 5.388 1.00 . A A . 17 ARG HH21 1 1 12 6716 1 1 17 ARG HH22 H -10.265 4.371 6.990 1.00 . A A . 17 ARG HH22 1 1 12 6717 1 1 17 ARG N N -2.010 5.680 3.762 1.00 . A A . 17 ARG N 1 1 12 6718 1 1 17 ARG NE N -7.649 5.053 5.208 1.00 . A A . 17 ARG NE 1 1 12 6719 1 1 17 ARG NH1 N -8.208 5.798 7.347 1.00 . A A . 17 ARG NH1 1 1 12 6720 1 1 17 ARG NH2 N -9.626 4.361 6.207 1.00 . A A . 17 ARG NH2 1 1 12 6721 1 1 17 ARG O O -4.100 6.234 2.120 1.00 . A A . 17 ARG O 1 1 12 6722 1 1 18 PHE C C -7.410 3.863 1.951 1.00 . A A . 18 PHE C 1 1 12 6723 1 1 18 PHE CA C -6.018 4.303 1.511 1.00 . A A . 18 PHE CA 1 1 12 6724 1 1 18 PHE CB C -5.470 3.388 0.417 1.00 . A A . 18 PHE CB 1 1 12 6725 1 1 18 PHE CD1 C -2.975 3.219 0.784 1.00 . A A . 18 PHE CD1 1 1 12 6726 1 1 18 PHE CD2 C -3.788 4.591 -1.051 1.00 . A A . 18 PHE CD2 1 1 12 6727 1 1 18 PHE CE1 C -1.655 3.561 0.461 1.00 . A A . 18 PHE CE1 1 1 12 6728 1 1 18 PHE CE2 C -2.464 4.934 -1.376 1.00 . A A . 18 PHE CE2 1 1 12 6729 1 1 18 PHE CG C -4.044 3.733 0.032 1.00 . A A . 18 PHE CG 1 1 12 6730 1 1 18 PHE CZ C -1.399 4.420 -0.616 1.00 . A A . 18 PHE CZ 1 1 12 6731 1 1 18 PHE H H -5.152 3.498 3.284 1.00 . A A . 18 PHE H 1 1 12 6732 1 1 18 PHE HA H -6.081 5.319 1.122 1.00 . A A . 18 PHE HA 1 1 12 6733 1 1 18 PHE HB2 H -5.500 2.356 0.773 1.00 . A A . 18 PHE HB2 1 1 12 6734 1 1 18 PHE HB3 H -6.106 3.473 -0.464 1.00 . A A . 18 PHE HB3 1 1 12 6735 1 1 18 PHE HD1 H -3.171 2.572 1.622 1.00 . A A . 18 PHE HD1 1 1 12 6736 1 1 18 PHE HD2 H -4.607 4.995 -1.628 1.00 . A A . 18 PHE HD2 1 1 12 6737 1 1 18 PHE HE1 H -0.838 3.170 1.046 1.00 . A A . 18 PHE HE1 1 1 12 6738 1 1 18 PHE HE2 H -2.265 5.597 -2.205 1.00 . A A . 18 PHE HE2 1 1 12 6739 1 1 18 PHE HZ H -0.385 4.690 -0.857 1.00 . A A . 18 PHE HZ 1 1 12 6740 1 1 18 PHE N N -5.105 4.279 2.642 1.00 . A A . 18 PHE N 1 1 12 6741 1 1 18 PHE O O -7.579 3.295 3.030 1.00 . A A . 18 PHE O 1 1 12 6742 1 1 19 THR C C -10.048 2.318 1.032 1.00 . A A . 19 THR C 1 1 12 6743 1 1 19 THR CA C -9.788 3.783 1.387 1.00 . A A . 19 THR CA 1 1 12 6744 1 1 19 THR CB C -10.706 4.702 0.573 1.00 . A A . 19 THR CB 1 1 12 6745 1 1 19 THR CG2 C -10.655 6.122 1.143 1.00 . A A . 19 THR CG2 1 1 12 6746 1 1 19 THR H H -8.206 4.609 0.237 1.00 . A A . 19 THR H 1 1 12 6747 1 1 19 THR HA H -9.988 3.931 2.448 1.00 . A A . 19 THR HA 1 1 12 6748 1 1 19 THR HB H -11.731 4.330 0.624 1.00 . A A . 19 THR HB 1 1 12 6749 1 1 19 THR HG1 H -10.477 3.871 -1.172 1.00 . A A . 19 THR HG1 1 1 12 6750 1 1 19 THR HG21 H -10.973 6.108 2.186 1.00 . A A . 19 THR HG21 1 1 12 6751 1 1 19 THR HG22 H -9.636 6.505 1.079 1.00 . A A . 19 THR HG22 1 1 12 6752 1 1 19 THR HG23 H -11.321 6.767 0.570 1.00 . A A . 19 THR HG23 1 1 12 6753 1 1 19 THR N N -8.405 4.136 1.107 1.00 . A A . 19 THR N 1 1 12 6754 1 1 19 THR O O -11.033 1.743 1.488 1.00 . A A . 19 THR O 1 1 12 6755 1 1 19 THR OG1 O -10.280 4.723 -0.774 1.00 . A A . 19 THR OG1 1 1 12 6756 1 1 20 ASN C C -7.975 -0.378 -0.205 1.00 . A A . 20 ASN C 1 1 12 6757 1 1 20 ASN CA C -9.318 0.338 -0.216 1.00 . A A . 20 ASN CA 1 1 12 6758 1 1 20 ASN CB C -9.905 0.299 -1.633 1.00 . A A . 20 ASN CB 1 1 12 6759 1 1 20 ASN CG C -9.158 1.228 -2.588 1.00 . A A . 20 ASN CG 1 1 12 6760 1 1 20 ASN H H -8.370 2.237 -0.126 1.00 . A A . 20 ASN H 1 1 12 6761 1 1 20 ASN HA H -9.996 -0.181 0.461 1.00 . A A . 20 ASN HA 1 1 12 6762 1 1 20 ASN HB2 H -9.831 -0.716 -2.013 1.00 . A A . 20 ASN HB2 1 1 12 6763 1 1 20 ASN HB3 H -10.955 0.593 -1.594 1.00 . A A . 20 ASN HB3 1 1 12 6764 1 1 20 ASN HD21 H -10.777 1.342 -3.815 1.00 . A A . 20 ASN HD21 1 1 12 6765 1 1 20 ASN HD22 H -9.372 2.252 -4.335 1.00 . A A . 20 ASN HD22 1 1 12 6766 1 1 20 ASN N N -9.168 1.721 0.214 1.00 . A A . 20 ASN N 1 1 12 6767 1 1 20 ASN ND2 N -9.824 1.641 -3.666 1.00 . A A . 20 ASN ND2 1 1 12 6768 1 1 20 ASN O O -6.927 0.242 -0.014 1.00 . A A . 20 ASN O 1 1 12 6769 1 1 20 ASN OD1 O -8.000 1.563 -2.359 1.00 . A A . 20 ASN OD1 1 1 12 6770 1 1 21 GLU C C -6.275 -2.438 -1.947 1.00 . A A . 21 GLU C 1 1 12 6771 1 1 21 GLU CA C -6.829 -2.512 -0.521 1.00 . A A . 21 GLU CA 1 1 12 6772 1 1 21 GLU CB C -7.178 -3.956 -0.143 1.00 . A A . 21 GLU CB 1 1 12 6773 1 1 21 GLU CD C -6.252 -6.103 0.780 1.00 . A A . 21 GLU CD 1 1 12 6774 1 1 21 GLU CG C -5.913 -4.702 0.289 1.00 . A A . 21 GLU CG 1 1 12 6775 1 1 21 GLU H H -8.915 -2.144 -0.564 1.00 . A A . 21 GLU H 1 1 12 6776 1 1 21 GLU HA H -6.083 -2.131 0.174 1.00 . A A . 21 GLU HA 1 1 12 6777 1 1 21 GLU HB2 H -7.891 -3.952 0.680 1.00 . A A . 21 GLU HB2 1 1 12 6778 1 1 21 GLU HB3 H -7.622 -4.460 -1.002 1.00 . A A . 21 GLU HB3 1 1 12 6779 1 1 21 GLU HG2 H -5.229 -4.774 -0.557 1.00 . A A . 21 GLU HG2 1 1 12 6780 1 1 21 GLU HG3 H -5.427 -4.150 1.094 1.00 . A A . 21 GLU HG3 1 1 12 6781 1 1 21 GLU N N -8.021 -1.694 -0.434 1.00 . A A . 21 GLU N 1 1 12 6782 1 1 21 GLU O O -5.108 -2.722 -2.170 1.00 . A A . 21 GLU O 1 1 12 6783 1 1 21 GLU OE1 O -6.977 -6.188 1.794 1.00 . A A . 21 GLU OE1 1 1 12 6784 1 1 21 GLU OE2 O -5.777 -7.062 0.134 1.00 . A A . 21 GLU OE2 1 1 12 6785 1 1 22 ASP C C -5.579 -0.931 -4.435 1.00 . A A . 22 ASP C 1 1 12 6786 1 1 22 ASP CA C -6.729 -1.925 -4.304 1.00 . A A . 22 ASP CA 1 1 12 6787 1 1 22 ASP CB C -7.933 -1.463 -5.131 1.00 . A A . 22 ASP CB 1 1 12 6788 1 1 22 ASP CG C -9.104 -2.426 -4.982 1.00 . A A . 22 ASP CG 1 1 12 6789 1 1 22 ASP H H -8.084 -1.832 -2.670 1.00 . A A . 22 ASP H 1 1 12 6790 1 1 22 ASP HA H -6.401 -2.901 -4.669 1.00 . A A . 22 ASP HA 1 1 12 6791 1 1 22 ASP HB2 H -8.241 -0.474 -4.793 1.00 . A A . 22 ASP HB2 1 1 12 6792 1 1 22 ASP HB3 H -7.645 -1.409 -6.181 1.00 . A A . 22 ASP HB3 1 1 12 6793 1 1 22 ASP N N -7.126 -2.049 -2.909 1.00 . A A . 22 ASP N 1 1 12 6794 1 1 22 ASP O O -4.541 -1.247 -5.016 1.00 . A A . 22 ASP O 1 1 12 6795 1 1 22 ASP OD1 O -9.788 -2.327 -3.939 1.00 . A A . 22 ASP OD1 1 1 12 6796 1 1 22 ASP OD2 O -9.292 -3.240 -5.910 1.00 . A A . 22 ASP OD2 1 1 12 6797 1 1 23 HIS C C -3.544 0.878 -3.097 1.00 . A A . 23 HIS C 1 1 12 6798 1 1 23 HIS CA C -4.731 1.303 -3.955 1.00 . A A . 23 HIS CA 1 1 12 6799 1 1 23 HIS CB C -5.290 2.644 -3.474 1.00 . A A . 23 HIS CB 1 1 12 6800 1 1 23 HIS CD2 C -7.096 2.634 -5.401 1.00 . A A . 23 HIS CD2 1 1 12 6801 1 1 23 HIS CE1 C -8.207 4.359 -4.823 1.00 . A A . 23 HIS CE1 1 1 12 6802 1 1 23 HIS CG C -6.482 3.113 -4.269 1.00 . A A . 23 HIS CG 1 1 12 6803 1 1 23 HIS H H -6.629 0.496 -3.419 1.00 . A A . 23 HIS H 1 1 12 6804 1 1 23 HIS HA H -4.400 1.407 -4.988 1.00 . A A . 23 HIS HA 1 1 12 6805 1 1 23 HIS HB2 H -5.582 2.545 -2.430 1.00 . A A . 23 HIS HB2 1 1 12 6806 1 1 23 HIS HB3 H -4.504 3.396 -3.549 1.00 . A A . 23 HIS HB3 1 1 12 6807 1 1 23 HIS HD1 H -7.055 4.839 -3.121 1.00 . A A . 23 HIS HD1 1 1 12 6808 1 1 23 HIS HD2 H -6.771 1.758 -5.944 1.00 . A A . 23 HIS HD2 1 1 12 6809 1 1 23 HIS HE1 H -8.943 5.149 -4.795 1.00 . A A . 23 HIS HE1 1 1 12 6810 1 1 23 HIS N N -5.760 0.279 -3.891 1.00 . A A . 23 HIS N 1 1 12 6811 1 1 23 HIS ND1 N -7.222 4.235 -3.911 1.00 . A A . 23 HIS ND1 1 1 12 6812 1 1 23 HIS NE2 N -8.188 3.409 -5.759 1.00 . A A . 23 HIS NE2 1 1 12 6813 1 1 23 HIS O O -2.402 1.231 -3.394 1.00 . A A . 23 HIS O 1 1 12 6814 1 1 24 LEU C C -1.901 -1.397 -1.933 1.00 . A A . 24 LEU C 1 1 12 6815 1 1 24 LEU CA C -2.752 -0.381 -1.172 1.00 . A A . 24 LEU CA 1 1 12 6816 1 1 24 LEU CB C -3.362 -1.026 0.073 1.00 . A A . 24 LEU CB 1 1 12 6817 1 1 24 LEU CD1 C -2.294 0.127 2.020 1.00 . A A . 24 LEU CD1 1 1 12 6818 1 1 24 LEU CD2 C -2.642 -2.334 2.085 1.00 . A A . 24 LEU CD2 1 1 12 6819 1 1 24 LEU CG C -2.303 -1.143 1.185 1.00 . A A . 24 LEU CG 1 1 12 6820 1 1 24 LEU H H -4.776 -0.146 -1.825 1.00 . A A . 24 LEU H 1 1 12 6821 1 1 24 LEU HA H -2.123 0.457 -0.867 1.00 . A A . 24 LEU HA 1 1 12 6822 1 1 24 LEU HB2 H -4.196 -0.418 0.425 1.00 . A A . 24 LEU HB2 1 1 12 6823 1 1 24 LEU HB3 H -3.729 -2.019 -0.184 1.00 . A A . 24 LEU HB3 1 1 12 6824 1 1 24 LEU HD11 H -3.312 0.475 2.164 1.00 . A A . 24 LEU HD11 1 1 12 6825 1 1 24 LEU HD12 H -1.846 -0.080 2.986 1.00 . A A . 24 LEU HD12 1 1 12 6826 1 1 24 LEU HD13 H -1.715 0.893 1.509 1.00 . A A . 24 LEU HD13 1 1 12 6827 1 1 24 LEU HD21 H -2.653 -3.248 1.491 1.00 . A A . 24 LEU HD21 1 1 12 6828 1 1 24 LEU HD22 H -1.891 -2.422 2.870 1.00 . A A . 24 LEU HD22 1 1 12 6829 1 1 24 LEU HD23 H -3.623 -2.181 2.536 1.00 . A A . 24 LEU HD23 1 1 12 6830 1 1 24 LEU HG H -1.312 -1.286 0.748 1.00 . A A . 24 LEU HG 1 1 12 6831 1 1 24 LEU N N -3.811 0.111 -2.036 1.00 . A A . 24 LEU N 1 1 12 6832 1 1 24 LEU O O -0.694 -1.457 -1.742 1.00 . A A . 24 LEU O 1 1 12 6833 1 1 25 ALA C C -0.830 -2.632 -4.492 1.00 . A A . 25 ALA C 1 1 12 6834 1 1 25 ALA CA C -1.867 -3.239 -3.555 1.00 . A A . 25 ALA CA 1 1 12 6835 1 1 25 ALA CB C -2.904 -4.037 -4.345 1.00 . A A . 25 ALA CB 1 1 12 6836 1 1 25 ALA H H -3.540 -2.095 -2.918 1.00 . A A . 25 ALA H 1 1 12 6837 1 1 25 ALA HA H -1.364 -3.912 -2.860 1.00 . A A . 25 ALA HA 1 1 12 6838 1 1 25 ALA HB1 H -3.641 -4.457 -3.660 1.00 . A A . 25 ALA HB1 1 1 12 6839 1 1 25 ALA HB2 H -3.405 -3.383 -5.058 1.00 . A A . 25 ALA HB2 1 1 12 6840 1 1 25 ALA HB3 H -2.408 -4.846 -4.882 1.00 . A A . 25 ALA HB3 1 1 12 6841 1 1 25 ALA N N -2.542 -2.201 -2.792 1.00 . A A . 25 ALA N 1 1 12 6842 1 1 25 ALA O O 0.345 -2.977 -4.412 1.00 . A A . 25 ALA O 1 1 12 6843 1 1 26 VAL C C 0.782 -0.394 -5.597 1.00 . A A . 26 VAL C 1 1 12 6844 1 1 26 VAL CA C -0.349 -1.107 -6.341 1.00 . A A . 26 VAL CA 1 1 12 6845 1 1 26 VAL CB C -1.115 -0.130 -7.255 1.00 . A A . 26 VAL CB 1 1 12 6846 1 1 26 VAL CG1 C -2.157 -0.900 -8.071 1.00 . A A . 26 VAL CG1 1 1 12 6847 1 1 26 VAL CG2 C -1.818 0.953 -6.427 1.00 . A A . 26 VAL CG2 1 1 12 6848 1 1 26 VAL H H -2.238 -1.478 -5.410 1.00 . A A . 26 VAL H 1 1 12 6849 1 1 26 VAL HA H 0.089 -1.889 -6.963 1.00 . A A . 26 VAL HA 1 1 12 6850 1 1 26 VAL HB H -0.409 0.345 -7.938 1.00 . A A . 26 VAL HB 1 1 12 6851 1 1 26 VAL HG11 H -1.668 -1.705 -8.619 1.00 . A A . 26 VAL HG11 1 1 12 6852 1 1 26 VAL HG12 H -2.909 -1.321 -7.403 1.00 . A A . 26 VAL HG12 1 1 12 6853 1 1 26 VAL HG13 H -2.639 -0.224 -8.777 1.00 . A A . 26 VAL HG13 1 1 12 6854 1 1 26 VAL HG21 H -2.474 0.487 -5.700 1.00 . A A . 26 VAL HG21 1 1 12 6855 1 1 26 VAL HG22 H -1.077 1.564 -5.911 1.00 . A A . 26 VAL HG22 1 1 12 6856 1 1 26 VAL HG23 H -2.406 1.589 -7.088 1.00 . A A . 26 VAL HG23 1 1 12 6857 1 1 26 VAL N N -1.260 -1.733 -5.386 1.00 . A A . 26 VAL N 1 1 12 6858 1 1 26 VAL O O 1.934 -0.439 -6.025 1.00 . A A . 26 VAL O 1 1 12 6859 1 1 27 HIS C C 2.421 -0.011 -3.056 1.00 . A A . 27 HIS C 1 1 12 6860 1 1 27 HIS CA C 1.432 0.977 -3.690 1.00 . A A . 27 HIS CA 1 1 12 6861 1 1 27 HIS CB C 0.693 1.794 -2.633 1.00 . A A . 27 HIS CB 1 1 12 6862 1 1 27 HIS CD2 C 2.136 2.366 -0.536 1.00 . A A . 27 HIS CD2 1 1 12 6863 1 1 27 HIS CE1 C 2.921 4.246 -1.151 1.00 . A A . 27 HIS CE1 1 1 12 6864 1 1 27 HIS CG C 1.619 2.595 -1.775 1.00 . A A . 27 HIS CG 1 1 12 6865 1 1 27 HIS H H -0.509 0.262 -4.166 1.00 . A A . 27 HIS H 1 1 12 6866 1 1 27 HIS HA H 1.981 1.659 -4.342 1.00 . A A . 27 HIS HA 1 1 12 6867 1 1 27 HIS HB2 H 0.000 2.473 -3.132 1.00 . A A . 27 HIS HB2 1 1 12 6868 1 1 27 HIS HB3 H 0.123 1.116 -1.997 1.00 . A A . 27 HIS HB3 1 1 12 6869 1 1 27 HIS HD1 H 1.965 4.304 -3.033 1.00 . A A . 27 HIS HD1 1 1 12 6870 1 1 27 HIS HD2 H 1.923 1.486 0.044 1.00 . A A . 27 HIS HD2 1 1 12 6871 1 1 27 HIS HE1 H 3.462 5.180 -1.174 1.00 . A A . 27 HIS HE1 1 1 12 6872 1 1 27 HIS N N 0.453 0.260 -4.480 1.00 . A A . 27 HIS N 1 1 12 6873 1 1 27 HIS ND1 N 2.139 3.822 -2.162 1.00 . A A . 27 HIS ND1 1 1 12 6874 1 1 27 HIS NE2 N 2.962 3.399 -0.120 1.00 . A A . 27 HIS NE2 1 1 12 6875 1 1 27 HIS O O 3.623 0.241 -3.035 1.00 . A A . 27 HIS O 1 1 12 6876 1 1 28 LYS C C 3.633 -2.804 -3.020 1.00 . A A . 28 LYS C 1 1 12 6877 1 1 28 LYS CA C 2.743 -2.173 -1.949 1.00 . A A . 28 LYS CA 1 1 12 6878 1 1 28 LYS CB C 1.856 -3.242 -1.297 1.00 . A A . 28 LYS CB 1 1 12 6879 1 1 28 LYS CD C 2.045 -3.288 1.214 1.00 . A A . 28 LYS CD 1 1 12 6880 1 1 28 LYS CE C 1.551 -4.708 1.518 1.00 . A A . 28 LYS CE 1 1 12 6881 1 1 28 LYS CG C 1.271 -2.712 0.020 1.00 . A A . 28 LYS CG 1 1 12 6882 1 1 28 LYS H H 0.912 -1.291 -2.583 1.00 . A A . 28 LYS H 1 1 12 6883 1 1 28 LYS HA H 3.377 -1.723 -1.186 1.00 . A A . 28 LYS HA 1 1 12 6884 1 1 28 LYS HB2 H 1.044 -3.500 -1.976 1.00 . A A . 28 LYS HB2 1 1 12 6885 1 1 28 LYS HB3 H 2.452 -4.133 -1.098 1.00 . A A . 28 LYS HB3 1 1 12 6886 1 1 28 LYS HD2 H 3.111 -3.311 0.982 1.00 . A A . 28 LYS HD2 1 1 12 6887 1 1 28 LYS HD3 H 1.879 -2.656 2.086 1.00 . A A . 28 LYS HD3 1 1 12 6888 1 1 28 LYS HE2 H 0.477 -4.681 1.711 1.00 . A A . 28 LYS HE2 1 1 12 6889 1 1 28 LYS HE3 H 1.740 -5.348 0.655 1.00 . A A . 28 LYS HE3 1 1 12 6890 1 1 28 LYS HG2 H 1.337 -1.624 0.036 1.00 . A A . 28 LYS HG2 1 1 12 6891 1 1 28 LYS HG3 H 0.224 -3.009 0.094 1.00 . A A . 28 LYS HG3 1 1 12 6892 1 1 28 LYS HZ1 H 3.231 -5.304 2.525 1.00 . A A . 28 LYS HZ1 1 1 12 6893 1 1 28 LYS HZ2 H 2.053 -4.693 3.507 1.00 . A A . 28 LYS HZ2 1 1 12 6894 1 1 28 LYS HZ3 H 1.896 -6.208 2.868 1.00 . A A . 28 LYS HZ3 1 1 12 6895 1 1 28 LYS N N 1.909 -1.139 -2.549 1.00 . A A . 28 LYS N 1 1 12 6896 1 1 28 LYS NZ N 2.237 -5.273 2.696 1.00 . A A . 28 LYS NZ 1 1 12 6897 1 1 28 LYS O O 4.756 -3.201 -2.730 1.00 . A A . 28 LYS O 1 1 12 6898 1 1 29 HIS C C 5.154 -2.671 -5.609 1.00 . A A . 29 HIS C 1 1 12 6899 1 1 29 HIS CA C 3.881 -3.484 -5.354 1.00 . A A . 29 HIS CA 1 1 12 6900 1 1 29 HIS CB C 3.002 -3.541 -6.607 1.00 . A A . 29 HIS CB 1 1 12 6901 1 1 29 HIS CD2 C 3.647 -4.226 -9.066 1.00 . A A . 29 HIS CD2 1 1 12 6902 1 1 29 HIS CE1 C 4.647 -6.066 -8.664 1.00 . A A . 29 HIS CE1 1 1 12 6903 1 1 29 HIS CG C 3.599 -4.386 -7.704 1.00 . A A . 29 HIS CG 1 1 12 6904 1 1 29 HIS H H 2.194 -2.557 -4.444 1.00 . A A . 29 HIS H 1 1 12 6905 1 1 29 HIS HA H 4.164 -4.499 -5.076 1.00 . A A . 29 HIS HA 1 1 12 6906 1 1 29 HIS HB2 H 2.033 -3.958 -6.336 1.00 . A A . 29 HIS HB2 1 1 12 6907 1 1 29 HIS HB3 H 2.857 -2.530 -6.983 1.00 . A A . 29 HIS HB3 1 1 12 6908 1 1 29 HIS HD1 H 4.412 -6.032 -6.563 1.00 . A A . 29 HIS HD1 1 1 12 6909 1 1 29 HIS HD2 H 3.222 -3.384 -9.593 1.00 . A A . 29 HIS HD2 1 1 12 6910 1 1 29 HIS HE1 H 5.184 -6.994 -8.786 1.00 . A A . 29 HIS HE1 1 1 12 6911 1 1 29 HIS N N 3.128 -2.898 -4.257 1.00 . A A . 29 HIS N 1 1 12 6912 1 1 29 HIS ND1 N 4.256 -5.591 -7.465 1.00 . A A . 29 HIS ND1 1 1 12 6913 1 1 29 HIS NE2 N 4.304 -5.279 -9.685 1.00 . A A . 29 HIS NE2 1 1 12 6914 1 1 29 HIS O O 6.183 -3.237 -5.962 1.00 . A A . 29 HIS O 1 1 12 6915 1 1 30 LYS C C 7.319 -0.868 -4.557 1.00 . A A . 30 LYS C 1 1 12 6916 1 1 30 LYS CA C 6.266 -0.500 -5.603 1.00 . A A . 30 LYS CA 1 1 12 6917 1 1 30 LYS CB C 5.881 0.983 -5.490 1.00 . A A . 30 LYS CB 1 1 12 6918 1 1 30 LYS CD C 5.466 1.113 -8.003 1.00 . A A . 30 LYS CD 1 1 12 6919 1 1 30 LYS CE C 6.837 1.783 -8.160 1.00 . A A . 30 LYS CE 1 1 12 6920 1 1 30 LYS CG C 4.889 1.381 -6.599 1.00 . A A . 30 LYS CG 1 1 12 6921 1 1 30 LYS H H 4.222 -0.914 -5.140 1.00 . A A . 30 LYS H 1 1 12 6922 1 1 30 LYS HA H 6.685 -0.686 -6.589 1.00 . A A . 30 LYS HA 1 1 12 6923 1 1 30 LYS HB2 H 5.419 1.158 -4.520 1.00 . A A . 30 LYS HB2 1 1 12 6924 1 1 30 LYS HB3 H 6.778 1.595 -5.569 1.00 . A A . 30 LYS HB3 1 1 12 6925 1 1 30 LYS HD2 H 5.562 0.039 -8.162 1.00 . A A . 30 LYS HD2 1 1 12 6926 1 1 30 LYS HD3 H 4.782 1.520 -8.748 1.00 . A A . 30 LYS HD3 1 1 12 6927 1 1 30 LYS HE2 H 6.769 2.822 -7.836 1.00 . A A . 30 LYS HE2 1 1 12 6928 1 1 30 LYS HE3 H 7.569 1.263 -7.542 1.00 . A A . 30 LYS HE3 1 1 12 6929 1 1 30 LYS HG2 H 3.969 0.812 -6.479 1.00 . A A . 30 LYS HG2 1 1 12 6930 1 1 30 LYS HG3 H 4.662 2.444 -6.505 1.00 . A A . 30 LYS HG3 1 1 12 6931 1 1 30 LYS HZ1 H 6.575 2.138 -10.159 1.00 . A A . 30 LYS HZ1 1 1 12 6932 1 1 30 LYS HZ2 H 8.143 2.283 -9.660 1.00 . A A . 30 LYS HZ2 1 1 12 6933 1 1 30 LYS HZ3 H 7.468 0.786 -9.838 1.00 . A A . 30 LYS HZ3 1 1 12 6934 1 1 30 LYS N N 5.092 -1.345 -5.421 1.00 . A A . 30 LYS N 1 1 12 6935 1 1 30 LYS NZ N 7.287 1.745 -9.563 1.00 . A A . 30 LYS NZ 1 1 12 6936 1 1 30 LYS O O 8.504 -0.940 -4.872 1.00 . A A . 30 LYS O 1 1 12 6937 1 1 31 HIS C C 8.372 -2.883 -2.564 1.00 . A A . 31 HIS C 1 1 12 6938 1 1 31 HIS CA C 7.794 -1.509 -2.245 1.00 . A A . 31 HIS CA 1 1 12 6939 1 1 31 HIS CB C 7.048 -1.534 -0.910 1.00 . A A . 31 HIS CB 1 1 12 6940 1 1 31 HIS CD2 C 5.484 0.406 -0.060 1.00 . A A . 31 HIS CD2 1 1 12 6941 1 1 31 HIS CE1 C 6.951 1.938 0.158 1.00 . A A . 31 HIS CE1 1 1 12 6942 1 1 31 HIS CG C 6.678 -0.158 -0.433 1.00 . A A . 31 HIS CG 1 1 12 6943 1 1 31 HIS H H 5.897 -1.028 -3.098 1.00 . A A . 31 HIS H 1 1 12 6944 1 1 31 HIS HA H 8.610 -0.787 -2.184 1.00 . A A . 31 HIS HA 1 1 12 6945 1 1 31 HIS HB2 H 6.142 -2.126 -1.022 1.00 . A A . 31 HIS HB2 1 1 12 6946 1 1 31 HIS HB3 H 7.684 -2.005 -0.160 1.00 . A A . 31 HIS HB3 1 1 12 6947 1 1 31 HIS HD1 H 8.605 0.793 -0.472 1.00 . A A . 31 HIS HD1 1 1 12 6948 1 1 31 HIS HD2 H 4.538 -0.119 -0.059 1.00 . A A . 31 HIS HD2 1 1 12 6949 1 1 31 HIS HE1 H 7.431 2.882 0.362 1.00 . A A . 31 HIS HE1 1 1 12 6950 1 1 31 HIS N N 6.883 -1.111 -3.312 1.00 . A A . 31 HIS N 1 1 12 6951 1 1 31 HIS ND1 N 7.614 0.856 -0.284 1.00 . A A . 31 HIS ND1 1 1 12 6952 1 1 31 HIS NE2 N 5.641 1.732 0.320 1.00 . A A . 31 HIS NE2 1 1 12 6953 1 1 31 HIS O O 9.569 -3.109 -2.402 1.00 . A A . 31 HIS O 1 1 12 6954 1 1 32 GLU C C 9.029 -5.035 -4.467 1.00 . A A . 32 GLU C 1 1 12 6955 1 1 32 GLU CA C 7.923 -5.135 -3.417 1.00 . A A . 32 GLU CA 1 1 12 6956 1 1 32 GLU CB C 6.704 -5.884 -3.969 1.00 . A A . 32 GLU CB 1 1 12 6957 1 1 32 GLU CD C 5.857 -8.086 -4.838 1.00 . A A . 32 GLU CD 1 1 12 6958 1 1 32 GLU CG C 7.062 -7.341 -4.272 1.00 . A A . 32 GLU CG 1 1 12 6959 1 1 32 GLU H H 6.533 -3.551 -3.126 1.00 . A A . 32 GLU H 1 1 12 6960 1 1 32 GLU HA H 8.303 -5.663 -2.541 1.00 . A A . 32 GLU HA 1 1 12 6961 1 1 32 GLU HB2 H 5.900 -5.858 -3.233 1.00 . A A . 32 GLU HB2 1 1 12 6962 1 1 32 GLU HB3 H 6.369 -5.401 -4.885 1.00 . A A . 32 GLU HB3 1 1 12 6963 1 1 32 GLU HG2 H 7.871 -7.371 -5.002 1.00 . A A . 32 GLU HG2 1 1 12 6964 1 1 32 GLU HG3 H 7.388 -7.830 -3.355 1.00 . A A . 32 GLU HG3 1 1 12 6965 1 1 32 GLU N N 7.510 -3.796 -3.030 1.00 . A A . 32 GLU N 1 1 12 6966 1 1 32 GLU O O 10.029 -5.751 -4.393 1.00 . A A . 32 GLU O 1 1 12 6967 1 1 32 GLU OE1 O 5.079 -7.435 -5.575 1.00 . A A . 32 GLU OE1 1 1 12 6968 1 1 32 GLU OE2 O 5.734 -9.289 -4.524 1.00 . A A . 32 GLU OE2 1 1 12 6969 1 1 33 MET C C 10.946 -3.003 -5.976 1.00 . A A . 33 MET C 1 1 12 6970 1 1 33 MET CA C 9.828 -3.912 -6.495 1.00 . A A . 33 MET CA 1 1 12 6971 1 1 33 MET CB C 9.131 -3.279 -7.706 1.00 . A A . 33 MET CB 1 1 12 6972 1 1 33 MET CE C 8.466 -3.189 -10.863 1.00 . A A . 33 MET CE 1 1 12 6973 1 1 33 MET CG C 8.162 -4.281 -8.340 1.00 . A A . 33 MET CG 1 1 12 6974 1 1 33 MET H H 8.003 -3.574 -5.448 1.00 . A A . 33 MET H 1 1 12 6975 1 1 33 MET HA H 10.257 -4.869 -6.792 1.00 . A A . 33 MET HA 1 1 12 6976 1 1 33 MET HB2 H 8.577 -2.395 -7.383 1.00 . A A . 33 MET HB2 1 1 12 6977 1 1 33 MET HB3 H 9.879 -2.986 -8.441 1.00 . A A . 33 MET HB3 1 1 12 6978 1 1 33 MET HE1 H 9.049 -4.085 -11.074 1.00 . A A . 33 MET HE1 1 1 12 6979 1 1 33 MET HE2 H 8.019 -2.821 -11.786 1.00 . A A . 33 MET HE2 1 1 12 6980 1 1 33 MET HE3 H 9.116 -2.422 -10.445 1.00 . A A . 33 MET HE3 1 1 12 6981 1 1 33 MET HG2 H 8.735 -5.118 -8.737 1.00 . A A . 33 MET HG2 1 1 12 6982 1 1 33 MET HG3 H 7.491 -4.658 -7.569 1.00 . A A . 33 MET HG3 1 1 12 6983 1 1 33 MET N N 8.849 -4.132 -5.440 1.00 . A A . 33 MET N 1 1 12 6984 1 1 33 MET O O 11.250 -1.978 -6.586 1.00 . A A . 33 MET O 1 1 12 6985 1 1 33 MET SD S 7.157 -3.586 -9.679 1.00 . A A . 33 MET SD 1 1 12 6986 1 1 34 THR C C 13.813 -2.487 -5.216 1.00 . A A . 34 THR C 1 1 12 6987 1 1 34 THR CA C 12.634 -2.607 -4.245 1.00 . A A . 34 THR CA 1 1 12 6988 1 1 34 THR CB C 13.057 -3.262 -2.916 1.00 . A A . 34 THR CB 1 1 12 6989 1 1 34 THR CG2 C 13.659 -4.650 -3.162 1.00 . A A . 34 THR CG2 1 1 12 6990 1 1 34 THR H H 11.272 -4.240 -4.391 1.00 . A A . 34 THR H 1 1 12 6991 1 1 34 THR HA H 12.257 -1.605 -4.031 1.00 . A A . 34 THR HA 1 1 12 6992 1 1 34 THR HB H 12.182 -3.360 -2.273 1.00 . A A . 34 THR HB 1 1 12 6993 1 1 34 THR HG1 H 14.240 -2.848 -1.431 1.00 . A A . 34 THR HG1 1 1 12 6994 1 1 34 THR HG21 H 12.982 -5.243 -3.775 1.00 . A A . 34 THR HG21 1 1 12 6995 1 1 34 THR HG22 H 14.618 -4.551 -3.670 1.00 . A A . 34 THR HG22 1 1 12 6996 1 1 34 THR HG23 H 13.810 -5.152 -2.206 1.00 . A A . 34 THR HG23 1 1 12 6997 1 1 34 THR N N 11.559 -3.385 -4.848 1.00 . A A . 34 THR N 1 1 12 6998 1 1 34 THR O O 14.480 -1.454 -5.256 1.00 . A A . 34 THR O 1 1 12 6999 1 1 34 THR OG1 O 14.013 -2.446 -2.274 1.00 . A A . 34 THR OG1 1 1 12 7000 1 1 35 LEU C C 14.799 -4.497 -8.121 1.00 . A A . 35 LEU C 1 1 12 7001 1 1 35 LEU CA C 15.149 -3.549 -6.972 1.00 . A A . 35 LEU CA 1 1 12 7002 1 1 35 LEU CB C 16.451 -3.973 -6.274 1.00 . A A . 35 LEU CB 1 1 12 7003 1 1 35 LEU CD1 C 17.970 -2.024 -6.728 1.00 . A A . 35 LEU CD1 1 1 12 7004 1 1 35 LEU CD2 C 18.885 -4.349 -6.730 1.00 . A A . 35 LEU CD2 1 1 12 7005 1 1 35 LEU CG C 17.668 -3.487 -7.076 1.00 . A A . 35 LEU CG 1 1 12 7006 1 1 35 LEU H H 13.488 -4.369 -5.925 1.00 . A A . 35 LEU H 1 1 12 7007 1 1 35 LEU HA H 15.269 -2.542 -7.374 1.00 . A A . 35 LEU HA 1 1 12 7008 1 1 35 LEU HB2 H 16.484 -3.540 -5.273 1.00 . A A . 35 LEU HB2 1 1 12 7009 1 1 35 LEU HB3 H 16.480 -5.060 -6.193 1.00 . A A . 35 LEU HB3 1 1 12 7010 1 1 35 LEU HD11 H 18.180 -1.938 -5.662 1.00 . A A . 35 LEU HD11 1 1 12 7011 1 1 35 LEU HD12 H 18.838 -1.688 -7.296 1.00 . A A . 35 LEU HD12 1 1 12 7012 1 1 35 LEU HD13 H 17.112 -1.404 -6.980 1.00 . A A . 35 LEU HD13 1 1 12 7013 1 1 35 LEU HD21 H 19.078 -4.295 -5.659 1.00 . A A . 35 LEU HD21 1 1 12 7014 1 1 35 LEU HD22 H 18.688 -5.385 -7.011 1.00 . A A . 35 LEU HD22 1 1 12 7015 1 1 35 LEU HD23 H 19.756 -3.986 -7.276 1.00 . A A . 35 LEU HD23 1 1 12 7016 1 1 35 LEU HG H 17.462 -3.568 -8.143 1.00 . A A . 35 LEU HG 1 1 12 7017 1 1 35 LEU N N 14.065 -3.544 -6.001 1.00 . A A . 35 LEU N 1 1 12 7018 1 1 35 LEU O O 15.655 -5.230 -8.613 1.00 . A A . 35 LEU O 1 1 12 7019 1 1 36 LYS C C 13.186 -4.577 -10.957 1.00 . A A . 36 LYS C 1 1 12 7020 1 1 36 LYS CA C 13.059 -5.327 -9.632 1.00 . A A . 36 LYS CA 1 1 12 7021 1 1 36 LYS CB C 11.602 -5.725 -9.362 1.00 . A A . 36 LYS CB 1 1 12 7022 1 1 36 LYS CD C 11.852 -7.896 -10.619 1.00 . A A . 36 LYS CD 1 1 12 7023 1 1 36 LYS CE C 11.134 -8.870 -11.559 1.00 . A A . 36 LYS CE 1 1 12 7024 1 1 36 LYS CG C 11.051 -6.592 -10.506 1.00 . A A . 36 LYS CG 1 1 12 7025 1 1 36 LYS H H 12.865 -3.856 -8.104 1.00 . A A . 36 LYS H 1 1 12 7026 1 1 36 LYS HA H 13.672 -6.225 -9.670 1.00 . A A . 36 LYS HA 1 1 12 7027 1 1 36 LYS HB2 H 11.548 -6.286 -8.428 1.00 . A A . 36 LYS HB2 1 1 12 7028 1 1 36 LYS HB3 H 10.996 -4.825 -9.273 1.00 . A A . 36 LYS HB3 1 1 12 7029 1 1 36 LYS HD2 H 12.846 -7.683 -11.013 1.00 . A A . 36 LYS HD2 1 1 12 7030 1 1 36 LYS HD3 H 11.945 -8.351 -9.632 1.00 . A A . 36 LYS HD3 1 1 12 7031 1 1 36 LYS HE2 H 11.670 -9.821 -11.563 1.00 . A A . 36 LYS HE2 1 1 12 7032 1 1 36 LYS HE3 H 10.118 -9.036 -11.197 1.00 . A A . 36 LYS HE3 1 1 12 7033 1 1 36 LYS HG2 H 10.006 -6.829 -10.300 1.00 . A A . 36 LYS HG2 1 1 12 7034 1 1 36 LYS HG3 H 11.113 -6.041 -11.444 1.00 . A A . 36 LYS HG3 1 1 12 7035 1 1 36 LYS HZ1 H 12.018 -8.156 -13.262 1.00 . A A . 36 LYS HZ1 1 1 12 7036 1 1 36 LYS HZ2 H 10.642 -9.024 -13.540 1.00 . A A . 36 LYS HZ2 1 1 12 7037 1 1 36 LYS HZ3 H 10.544 -7.487 -12.948 1.00 . A A . 36 LYS HZ3 1 1 12 7038 1 1 36 LYS N N 13.528 -4.478 -8.546 1.00 . A A . 36 LYS N 1 1 12 7039 1 1 36 LYS NZ N 11.080 -8.343 -12.935 1.00 . A A . 36 LYS NZ 1 1 12 7040 1 1 36 LYS O O 13.618 -5.150 -11.956 1.00 . A A . 36 LYS O 1 1 12 7041 1 1 37 PHE C C 12.857 -0.992 -11.751 1.00 . A A . 37 PHE C 1 1 12 7042 1 1 37 PHE CA C 12.871 -2.465 -12.153 1.00 . A A . 37 PHE CA 1 1 12 7043 1 1 37 PHE CB C 11.690 -2.797 -13.073 1.00 . A A . 37 PHE CB 1 1 12 7044 1 1 37 PHE CD1 C 12.477 -2.009 -15.345 1.00 . A A . 37 PHE CD1 1 1 12 7045 1 1 37 PHE CD2 C 10.588 -0.875 -14.303 1.00 . A A . 37 PHE CD2 1 1 12 7046 1 1 37 PHE CE1 C 12.379 -1.150 -16.453 1.00 . A A . 37 PHE CE1 1 1 12 7047 1 1 37 PHE CE2 C 10.492 -0.018 -15.412 1.00 . A A . 37 PHE CE2 1 1 12 7048 1 1 37 PHE CG C 11.581 -1.872 -14.268 1.00 . A A . 37 PHE CG 1 1 12 7049 1 1 37 PHE CZ C 11.387 -0.155 -16.487 1.00 . A A . 37 PHE CZ 1 1 12 7050 1 1 37 PHE H H 12.455 -2.876 -10.109 1.00 . A A . 37 PHE H 1 1 12 7051 1 1 37 PHE HA H 13.802 -2.677 -12.681 1.00 . A A . 37 PHE HA 1 1 12 7052 1 1 37 PHE HB2 H 11.804 -3.819 -13.434 1.00 . A A . 37 PHE HB2 1 1 12 7053 1 1 37 PHE HB3 H 10.767 -2.733 -12.497 1.00 . A A . 37 PHE HB3 1 1 12 7054 1 1 37 PHE HD1 H 13.241 -2.772 -15.320 1.00 . A A . 37 PHE HD1 1 1 12 7055 1 1 37 PHE HD2 H 9.899 -0.767 -13.477 1.00 . A A . 37 PHE HD2 1 1 12 7056 1 1 37 PHE HE1 H 13.067 -1.254 -17.279 1.00 . A A . 37 PHE HE1 1 1 12 7057 1 1 37 PHE HE2 H 9.730 0.747 -15.437 1.00 . A A . 37 PHE HE2 1 1 12 7058 1 1 37 PHE HZ H 11.313 0.505 -17.339 1.00 . A A . 37 PHE HZ 1 1 12 7059 1 1 37 PHE N N 12.803 -3.293 -10.960 1.00 . A A . 37 PHE N 1 1 12 7060 1 1 37 PHE O O 13.849 -0.290 -11.930 1.00 . A A . 37 PHE O 1 1 12 7061 1 1 38 GLY C C 10.108 1.164 -10.535 1.00 . A A . 38 GLY C 1 1 12 7062 1 1 38 GLY CA C 11.580 0.852 -10.783 1.00 . A A . 38 GLY CA 1 1 12 7063 1 1 38 GLY H H 10.940 -1.147 -11.080 1.00 . A A . 38 GLY H 1 1 12 7064 1 1 38 GLY HA2 H 12.143 1.011 -9.864 1.00 . A A . 38 GLY HA2 1 1 12 7065 1 1 38 GLY HA3 H 11.962 1.513 -11.562 1.00 . A A . 38 GLY HA3 1 1 12 7066 1 1 38 GLY N N 11.727 -0.529 -11.206 1.00 . A A . 38 GLY N 1 1 12 7067 1 1 38 GLY O O 9.297 0.209 -10.610 1.00 . A A . 38 GLY O 1 1 12 7068 1 1 38 GLY OXT O 9.824 2.332 -10.188 1.00 . A A . 38 GLY OXT 1 1 13 7069 1 1 1 MET C C -13.430 -1.793 16.093 1.00 . A A . 1 MET C 1 1 13 7070 1 1 1 MET CA C -12.687 -2.986 16.693 1.00 . A A . 1 MET CA 1 1 13 7071 1 1 1 MET CB C -11.179 -2.876 16.410 1.00 . A A . 1 MET CB 1 1 13 7072 1 1 1 MET CE C -9.632 -5.605 19.195 1.00 . A A . 1 MET CE 1 1 13 7073 1 1 1 MET CG C -10.422 -4.036 17.071 1.00 . A A . 1 MET CG 1 1 13 7074 1 1 1 MET H1 H -14.231 -4.269 16.303 1.00 . A A . 1 MET H1 1 1 13 7075 1 1 1 MET H2 H -13.043 -4.293 15.159 1.00 . A A . 1 MET H2 1 1 13 7076 1 1 1 MET H3 H -12.801 -5.027 16.617 1.00 . A A . 1 MET H3 1 1 13 7077 1 1 1 MET HA H -12.843 -2.978 17.771 1.00 . A A . 1 MET HA 1 1 13 7078 1 1 1 MET HB2 H -11.007 -2.904 15.334 1.00 . A A . 1 MET HB2 1 1 13 7079 1 1 1 MET HB3 H -10.807 -1.932 16.808 1.00 . A A . 1 MET HB3 1 1 13 7080 1 1 1 MET HE1 H -10.007 -6.459 18.630 1.00 . A A . 1 MET HE1 1 1 13 7081 1 1 1 MET HE2 H -8.605 -5.395 18.895 1.00 . A A . 1 MET HE2 1 1 13 7082 1 1 1 MET HE3 H -9.659 -5.833 20.260 1.00 . A A . 1 MET HE3 1 1 13 7083 1 1 1 MET HG2 H -10.743 -4.971 16.612 1.00 . A A . 1 MET HG2 1 1 13 7084 1 1 1 MET HG3 H -9.357 -3.905 16.879 1.00 . A A . 1 MET HG3 1 1 13 7085 1 1 1 MET N N -13.233 -4.243 16.150 1.00 . A A . 1 MET N 1 1 13 7086 1 1 1 MET O O -14.156 -1.101 16.801 1.00 . A A . 1 MET O 1 1 13 7087 1 1 1 MET SD S -10.666 -4.159 18.862 1.00 . A A . 1 MET SD 1 1 13 7088 1 1 2 SER C C -14.411 -0.962 12.739 1.00 . A A . 2 SER C 1 1 13 7089 1 1 2 SER CA C -13.890 -0.465 14.084 1.00 . A A . 2 SER CA 1 1 13 7090 1 1 2 SER CB C -12.884 0.670 13.882 1.00 . A A . 2 SER CB 1 1 13 7091 1 1 2 SER H H -12.634 -2.167 14.256 1.00 . A A . 2 SER H 1 1 13 7092 1 1 2 SER HA H -14.729 -0.098 14.676 1.00 . A A . 2 SER HA 1 1 13 7093 1 1 2 SER HB2 H -12.072 0.327 13.238 1.00 . A A . 2 SER HB2 1 1 13 7094 1 1 2 SER HB3 H -13.383 1.520 13.413 1.00 . A A . 2 SER HB3 1 1 13 7095 1 1 2 SER HG H -11.741 1.790 14.989 1.00 . A A . 2 SER HG 1 1 13 7096 1 1 2 SER N N -13.243 -1.564 14.786 1.00 . A A . 2 SER N 1 1 13 7097 1 1 2 SER O O -13.926 -1.968 12.221 1.00 . A A . 2 SER O 1 1 13 7098 1 1 2 SER OG O -12.356 1.066 15.131 1.00 . A A . 2 SER OG 1 1 13 7099 1 1 3 ASP C C -14.917 -0.443 9.799 1.00 . A A . 3 ASP C 1 1 13 7100 1 1 3 ASP CA C -15.972 -0.615 10.892 1.00 . A A . 3 ASP CA 1 1 13 7101 1 1 3 ASP CB C -17.194 0.267 10.620 1.00 . A A . 3 ASP CB 1 1 13 7102 1 1 3 ASP CG C -17.824 -0.080 9.278 1.00 . A A . 3 ASP CG 1 1 13 7103 1 1 3 ASP H H -15.760 0.561 12.651 1.00 . A A . 3 ASP H 1 1 13 7104 1 1 3 ASP HA H -16.287 -1.658 10.922 1.00 . A A . 3 ASP HA 1 1 13 7105 1 1 3 ASP HB2 H -17.928 0.115 11.410 1.00 . A A . 3 ASP HB2 1 1 13 7106 1 1 3 ASP HB3 H -16.889 1.314 10.612 1.00 . A A . 3 ASP HB3 1 1 13 7107 1 1 3 ASP N N -15.396 -0.254 12.178 1.00 . A A . 3 ASP N 1 1 13 7108 1 1 3 ASP O O -14.617 -1.385 9.068 1.00 . A A . 3 ASP O 1 1 13 7109 1 1 3 ASP OD1 O -18.562 -1.088 9.244 1.00 . A A . 3 ASP OD1 1 1 13 7110 1 1 3 ASP OD2 O -17.558 0.669 8.315 1.00 . A A . 3 ASP OD2 1 1 13 7111 1 1 4 ASP C C -12.055 0.279 9.067 1.00 . A A . 4 ASP C 1 1 13 7112 1 1 4 ASP CA C -13.319 1.058 8.722 1.00 . A A . 4 ASP CA 1 1 13 7113 1 1 4 ASP CB C -13.034 2.568 8.716 1.00 . A A . 4 ASP CB 1 1 13 7114 1 1 4 ASP CG C -11.831 2.903 7.831 1.00 . A A . 4 ASP CG 1 1 13 7115 1 1 4 ASP H H -14.643 1.504 10.323 1.00 . A A . 4 ASP H 1 1 13 7116 1 1 4 ASP HA H -13.669 0.757 7.733 1.00 . A A . 4 ASP HA 1 1 13 7117 1 1 4 ASP HB2 H -13.912 3.095 8.342 1.00 . A A . 4 ASP HB2 1 1 13 7118 1 1 4 ASP HB3 H -12.827 2.896 9.734 1.00 . A A . 4 ASP HB3 1 1 13 7119 1 1 4 ASP N N -14.352 0.767 9.700 1.00 . A A . 4 ASP N 1 1 13 7120 1 1 4 ASP O O -11.676 0.193 10.236 1.00 . A A . 4 ASP O 1 1 13 7121 1 1 4 ASP OD1 O -10.692 2.736 8.325 1.00 . A A . 4 ASP OD1 1 1 13 7122 1 1 4 ASP OD2 O -12.069 3.322 6.676 1.00 . A A . 4 ASP OD2 1 1 13 7123 1 1 5 LYS C C -9.037 -0.138 7.614 1.00 . A A . 5 LYS C 1 1 13 7124 1 1 5 LYS CA C -10.155 -1.000 8.202 1.00 . A A . 5 LYS CA 1 1 13 7125 1 1 5 LYS CB C -10.245 -2.346 7.469 1.00 . A A . 5 LYS CB 1 1 13 7126 1 1 5 LYS CD C -8.898 -4.354 6.776 1.00 . A A . 5 LYS CD 1 1 13 7127 1 1 5 LYS CE C -8.231 -3.888 5.474 1.00 . A A . 5 LYS CE 1 1 13 7128 1 1 5 LYS CG C -8.992 -3.184 7.762 1.00 . A A . 5 LYS CG 1 1 13 7129 1 1 5 LYS H H -11.780 -0.186 7.109 1.00 . A A . 5 LYS H 1 1 13 7130 1 1 5 LYS HA H -9.970 -1.184 9.258 1.00 . A A . 5 LYS HA 1 1 13 7131 1 1 5 LYS HB2 H -11.128 -2.887 7.814 1.00 . A A . 5 LYS HB2 1 1 13 7132 1 1 5 LYS HB3 H -10.326 -2.171 6.397 1.00 . A A . 5 LYS HB3 1 1 13 7133 1 1 5 LYS HD2 H -8.301 -5.152 7.221 1.00 . A A . 5 LYS HD2 1 1 13 7134 1 1 5 LYS HD3 H -9.899 -4.729 6.560 1.00 . A A . 5 LYS HD3 1 1 13 7135 1 1 5 LYS HE2 H -8.829 -3.097 5.027 1.00 . A A . 5 LYS HE2 1 1 13 7136 1 1 5 LYS HE3 H -7.236 -3.499 5.699 1.00 . A A . 5 LYS HE3 1 1 13 7137 1 1 5 LYS HG2 H -8.102 -2.560 7.669 1.00 . A A . 5 LYS HG2 1 1 13 7138 1 1 5 LYS HG3 H -9.050 -3.573 8.780 1.00 . A A . 5 LYS HG3 1 1 13 7139 1 1 5 LYS HZ1 H -7.577 -5.751 4.933 1.00 . A A . 5 LYS HZ1 1 1 13 7140 1 1 5 LYS HZ2 H -9.024 -5.337 4.264 1.00 . A A . 5 LYS HZ2 1 1 13 7141 1 1 5 LYS HZ3 H -7.626 -4.680 3.676 1.00 . A A . 5 LYS HZ3 1 1 13 7142 1 1 5 LYS N N -11.403 -0.278 8.041 1.00 . A A . 5 LYS N 1 1 13 7143 1 1 5 LYS NZ N -8.106 -5.001 4.515 1.00 . A A . 5 LYS NZ 1 1 13 7144 1 1 5 LYS O O -8.915 -0.062 6.399 1.00 . A A . 5 LYS O 1 1 13 7145 1 1 6 PRO C C -6.159 0.585 7.143 1.00 . A A . 6 PRO C 1 1 13 7146 1 1 6 PRO CA C -7.162 1.383 7.976 1.00 . A A . 6 PRO CA 1 1 13 7147 1 1 6 PRO CB C -6.512 1.991 9.220 1.00 . A A . 6 PRO CB 1 1 13 7148 1 1 6 PRO CD C -8.316 0.462 9.898 1.00 . A A . 6 PRO CD 1 1 13 7149 1 1 6 PRO CG C -7.217 1.379 10.437 1.00 . A A . 6 PRO CG 1 1 13 7150 1 1 6 PRO HA H -7.591 2.178 7.366 1.00 . A A . 6 PRO HA 1 1 13 7151 1 1 6 PRO HB2 H -5.451 1.750 9.246 1.00 . A A . 6 PRO HB2 1 1 13 7152 1 1 6 PRO HB3 H -6.648 3.071 9.218 1.00 . A A . 6 PRO HB3 1 1 13 7153 1 1 6 PRO HD2 H -8.151 -0.559 10.245 1.00 . A A . 6 PRO HD2 1 1 13 7154 1 1 6 PRO HD3 H -9.291 0.819 10.227 1.00 . A A . 6 PRO HD3 1 1 13 7155 1 1 6 PRO HG2 H -6.506 0.801 11.028 1.00 . A A . 6 PRO HG2 1 1 13 7156 1 1 6 PRO HG3 H -7.656 2.167 11.050 1.00 . A A . 6 PRO HG3 1 1 13 7157 1 1 6 PRO N N -8.221 0.525 8.456 1.00 . A A . 6 PRO N 1 1 13 7158 1 1 6 PRO O O -5.427 -0.248 7.678 1.00 . A A . 6 PRO O 1 1 13 7159 1 1 7 PHE C C -3.832 0.827 5.043 1.00 . A A . 7 PHE C 1 1 13 7160 1 1 7 PHE CA C -5.211 0.175 4.926 1.00 . A A . 7 PHE CA 1 1 13 7161 1 1 7 PHE CB C -5.739 0.273 3.484 1.00 . A A . 7 PHE CB 1 1 13 7162 1 1 7 PHE CD1 C -8.272 0.297 3.671 1.00 . A A . 7 PHE CD1 1 1 13 7163 1 1 7 PHE CD2 C -7.194 -1.626 2.645 1.00 . A A . 7 PHE CD2 1 1 13 7164 1 1 7 PHE CE1 C -9.527 -0.291 3.456 1.00 . A A . 7 PHE CE1 1 1 13 7165 1 1 7 PHE CE2 C -8.453 -2.212 2.428 1.00 . A A . 7 PHE CE2 1 1 13 7166 1 1 7 PHE CG C -7.100 -0.368 3.268 1.00 . A A . 7 PHE CG 1 1 13 7167 1 1 7 PHE CZ C -9.619 -1.543 2.833 1.00 . A A . 7 PHE CZ 1 1 13 7168 1 1 7 PHE H H -6.754 1.540 5.447 1.00 . A A . 7 PHE H 1 1 13 7169 1 1 7 PHE HA H -5.136 -0.877 5.206 1.00 . A A . 7 PHE HA 1 1 13 7170 1 1 7 PHE HB2 H -5.804 1.324 3.208 1.00 . A A . 7 PHE HB2 1 1 13 7171 1 1 7 PHE HB3 H -5.024 -0.213 2.823 1.00 . A A . 7 PHE HB3 1 1 13 7172 1 1 7 PHE HD1 H -8.209 1.256 4.150 1.00 . A A . 7 PHE HD1 1 1 13 7173 1 1 7 PHE HD2 H -6.298 -2.140 2.330 1.00 . A A . 7 PHE HD2 1 1 13 7174 1 1 7 PHE HE1 H -10.423 0.223 3.772 1.00 . A A . 7 PHE HE1 1 1 13 7175 1 1 7 PHE HE2 H -8.524 -3.174 1.950 1.00 . A A . 7 PHE HE2 1 1 13 7176 1 1 7 PHE HZ H -10.586 -1.994 2.667 1.00 . A A . 7 PHE HZ 1 1 13 7177 1 1 7 PHE N N -6.127 0.849 5.831 1.00 . A A . 7 PHE N 1 1 13 7178 1 1 7 PHE O O -3.372 1.481 4.112 1.00 . A A . 7 PHE O 1 1 13 7179 1 1 8 LEU C C -0.780 0.343 5.865 1.00 . A A . 8 LEU C 1 1 13 7180 1 1 8 LEU CA C -1.869 1.237 6.449 1.00 . A A . 8 LEU CA 1 1 13 7181 1 1 8 LEU CB C -1.668 1.399 7.961 1.00 . A A . 8 LEU CB 1 1 13 7182 1 1 8 LEU CD1 C -2.753 2.388 9.987 1.00 . A A . 8 LEU CD1 1 1 13 7183 1 1 8 LEU CD2 C -1.762 3.889 8.255 1.00 . A A . 8 LEU CD2 1 1 13 7184 1 1 8 LEU CG C -2.507 2.571 8.488 1.00 . A A . 8 LEU CG 1 1 13 7185 1 1 8 LEU H H -3.607 0.100 6.931 1.00 . A A . 8 LEU H 1 1 13 7186 1 1 8 LEU HA H -1.817 2.217 5.974 1.00 . A A . 8 LEU HA 1 1 13 7187 1 1 8 LEU HB2 H -1.970 0.480 8.465 1.00 . A A . 8 LEU HB2 1 1 13 7188 1 1 8 LEU HB3 H -0.613 1.590 8.168 1.00 . A A . 8 LEU HB3 1 1 13 7189 1 1 8 LEU HD11 H -3.280 1.450 10.159 1.00 . A A . 8 LEU HD11 1 1 13 7190 1 1 8 LEU HD12 H -1.798 2.369 10.514 1.00 . A A . 8 LEU HD12 1 1 13 7191 1 1 8 LEU HD13 H -3.356 3.216 10.361 1.00 . A A . 8 LEU HD13 1 1 13 7192 1 1 8 LEU HD21 H -1.526 3.996 7.198 1.00 . A A . 8 LEU HD21 1 1 13 7193 1 1 8 LEU HD22 H -2.390 4.722 8.573 1.00 . A A . 8 LEU HD22 1 1 13 7194 1 1 8 LEU HD23 H -0.838 3.892 8.833 1.00 . A A . 8 LEU HD23 1 1 13 7195 1 1 8 LEU HG H -3.464 2.597 7.966 1.00 . A A . 8 LEU HG 1 1 13 7196 1 1 8 LEU N N -3.180 0.653 6.198 1.00 . A A . 8 LEU N 1 1 13 7197 1 1 8 LEU O O -0.535 -0.748 6.372 1.00 . A A . 8 LEU O 1 1 13 7198 1 1 9 CYS C C 2.165 0.014 5.116 1.00 . A A . 9 CYS C 1 1 13 7199 1 1 9 CYS CA C 0.963 0.050 4.181 1.00 . A A . 9 CYS CA 1 1 13 7200 1 1 9 CYS CB C 1.355 0.694 2.855 1.00 . A A . 9 CYS CB 1 1 13 7201 1 1 9 CYS H H -0.364 1.713 4.405 1.00 . A A . 9 CYS H 1 1 13 7202 1 1 9 CYS HA H 0.622 -0.969 3.995 1.00 . A A . 9 CYS HA 1 1 13 7203 1 1 9 CYS HB2 H 0.513 0.662 2.170 1.00 . A A . 9 CYS HB2 1 1 13 7204 1 1 9 CYS HB3 H 1.651 1.730 3.022 1.00 . A A . 9 CYS HB3 1 1 13 7205 1 1 9 CYS N N -0.117 0.808 4.799 1.00 . A A . 9 CYS N 1 1 13 7206 1 1 9 CYS O O 2.531 1.032 5.695 1.00 . A A . 9 CYS O 1 1 13 7207 1 1 9 CYS SG S 2.747 -0.231 2.152 1.00 . A A . 9 CYS SG 1 1 13 7208 1 1 10 THR C C 5.216 -0.956 5.294 1.00 . A A . 10 THR C 1 1 13 7209 1 1 10 THR CA C 3.960 -1.313 6.096 1.00 . A A . 10 THR CA 1 1 13 7210 1 1 10 THR CB C 4.020 -2.759 6.609 1.00 . A A . 10 THR CB 1 1 13 7211 1 1 10 THR CG2 C 5.072 -2.877 7.715 1.00 . A A . 10 THR CG2 1 1 13 7212 1 1 10 THR H H 2.444 -1.970 4.762 1.00 . A A . 10 THR H 1 1 13 7213 1 1 10 THR HA H 3.879 -0.639 6.950 1.00 . A A . 10 THR HA 1 1 13 7214 1 1 10 THR HB H 4.281 -3.428 5.789 1.00 . A A . 10 THR HB 1 1 13 7215 1 1 10 THR HG1 H 2.524 -2.513 7.826 1.00 . A A . 10 THR HG1 1 1 13 7216 1 1 10 THR HG21 H 4.828 -2.191 8.527 1.00 . A A . 10 THR HG21 1 1 13 7217 1 1 10 THR HG22 H 5.085 -3.899 8.097 1.00 . A A . 10 THR HG22 1 1 13 7218 1 1 10 THR HG23 H 6.055 -2.629 7.315 1.00 . A A . 10 THR HG23 1 1 13 7219 1 1 10 THR N N 2.789 -1.158 5.254 1.00 . A A . 10 THR N 1 1 13 7220 1 1 10 THR O O 5.875 -1.837 4.748 1.00 . A A . 10 THR O 1 1 13 7221 1 1 10 THR OG1 O 2.758 -3.126 7.125 1.00 . A A . 10 THR OG1 1 1 13 7222 1 1 11 ALA C C 7.430 1.853 5.400 1.00 . A A . 11 ALA C 1 1 13 7223 1 1 11 ALA CA C 6.725 0.816 4.521 1.00 . A A . 11 ALA CA 1 1 13 7224 1 1 11 ALA CB C 6.317 1.410 3.172 1.00 . A A . 11 ALA CB 1 1 13 7225 1 1 11 ALA H H 4.960 1.037 5.683 1.00 . A A . 11 ALA H 1 1 13 7226 1 1 11 ALA HA H 7.393 -0.025 4.349 1.00 . A A . 11 ALA HA 1 1 13 7227 1 1 11 ALA HB1 H 5.563 2.179 3.323 1.00 . A A . 11 ALA HB1 1 1 13 7228 1 1 11 ALA HB2 H 7.190 1.847 2.687 1.00 . A A . 11 ALA HB2 1 1 13 7229 1 1 11 ALA HB3 H 5.909 0.623 2.537 1.00 . A A . 11 ALA HB3 1 1 13 7230 1 1 11 ALA N N 5.542 0.346 5.226 1.00 . A A . 11 ALA N 1 1 13 7231 1 1 11 ALA O O 6.760 2.650 6.058 1.00 . A A . 11 ALA O 1 1 13 7232 1 1 12 PRO C C 9.316 4.194 5.919 1.00 . A A . 12 PRO C 1 1 13 7233 1 1 12 PRO CA C 9.555 2.730 6.275 1.00 . A A . 12 PRO CA 1 1 13 7234 1 1 12 PRO CB C 11.018 2.336 6.046 1.00 . A A . 12 PRO CB 1 1 13 7235 1 1 12 PRO CD C 9.590 0.946 4.632 1.00 . A A . 12 PRO CD 1 1 13 7236 1 1 12 PRO CG C 11.029 1.412 4.826 1.00 . A A . 12 PRO CG 1 1 13 7237 1 1 12 PRO HA H 9.292 2.559 7.320 1.00 . A A . 12 PRO HA 1 1 13 7238 1 1 12 PRO HB2 H 11.628 3.220 5.855 1.00 . A A . 12 PRO HB2 1 1 13 7239 1 1 12 PRO HB3 H 11.399 1.803 6.918 1.00 . A A . 12 PRO HB3 1 1 13 7240 1 1 12 PRO HD2 H 9.313 1.012 3.580 1.00 . A A . 12 PRO HD2 1 1 13 7241 1 1 12 PRO HD3 H 9.479 -0.079 4.989 1.00 . A A . 12 PRO HD3 1 1 13 7242 1 1 12 PRO HG2 H 11.359 1.967 3.947 1.00 . A A . 12 PRO HG2 1 1 13 7243 1 1 12 PRO HG3 H 11.685 0.559 5.001 1.00 . A A . 12 PRO HG3 1 1 13 7244 1 1 12 PRO N N 8.778 1.843 5.428 1.00 . A A . 12 PRO N 1 1 13 7245 1 1 12 PRO O O 9.762 4.661 4.872 1.00 . A A . 12 PRO O 1 1 13 7246 1 1 13 GLY C C 7.306 6.622 5.554 1.00 . A A . 13 GLY C 1 1 13 7247 1 1 13 GLY CA C 8.368 6.344 6.623 1.00 . A A . 13 GLY CA 1 1 13 7248 1 1 13 GLY H H 8.251 4.474 7.632 1.00 . A A . 13 GLY H 1 1 13 7249 1 1 13 GLY HA2 H 8.031 6.764 7.572 1.00 . A A . 13 GLY HA2 1 1 13 7250 1 1 13 GLY HA3 H 9.298 6.833 6.332 1.00 . A A . 13 GLY HA3 1 1 13 7251 1 1 13 GLY N N 8.615 4.919 6.801 1.00 . A A . 13 GLY N 1 1 13 7252 1 1 13 GLY O O 6.558 7.587 5.673 1.00 . A A . 13 GLY O 1 1 13 7253 1 1 14 CYS C C 4.900 5.591 3.835 1.00 . A A . 14 CYS C 1 1 13 7254 1 1 14 CYS CA C 6.302 6.014 3.417 1.00 . A A . 14 CYS CA 1 1 13 7255 1 1 14 CYS CB C 6.758 5.242 2.180 1.00 . A A . 14 CYS CB 1 1 13 7256 1 1 14 CYS H H 7.864 4.991 4.453 1.00 . A A . 14 CYS H 1 1 13 7257 1 1 14 CYS HA H 6.286 7.074 3.175 1.00 . A A . 14 CYS HA 1 1 13 7258 1 1 14 CYS HB2 H 7.759 5.569 1.894 1.00 . A A . 14 CYS HB2 1 1 13 7259 1 1 14 CYS HB3 H 6.773 4.176 2.397 1.00 . A A . 14 CYS HB3 1 1 13 7260 1 1 14 CYS N N 7.243 5.792 4.505 1.00 . A A . 14 CYS N 1 1 13 7261 1 1 14 CYS O O 3.958 6.338 3.613 1.00 . A A . 14 CYS O 1 1 13 7262 1 1 14 CYS SG S 5.604 5.572 0.826 1.00 . A A . 14 CYS SG 1 1 13 7263 1 1 15 GLY C C 2.316 4.661 4.690 1.00 . A A . 15 GLY C 1 1 13 7264 1 1 15 GLY CA C 3.542 3.772 4.895 1.00 . A A . 15 GLY CA 1 1 13 7265 1 1 15 GLY H H 5.642 3.852 4.582 1.00 . A A . 15 GLY H 1 1 13 7266 1 1 15 GLY HA2 H 3.392 2.843 4.347 1.00 . A A . 15 GLY HA2 1 1 13 7267 1 1 15 GLY HA3 H 3.634 3.542 5.956 1.00 . A A . 15 GLY HA3 1 1 13 7268 1 1 15 GLY N N 4.797 4.384 4.434 1.00 . A A . 15 GLY N 1 1 13 7269 1 1 15 GLY O O 1.845 5.297 5.631 1.00 . A A . 15 GLY O 1 1 13 7270 1 1 16 GLN C C -0.642 4.741 3.570 1.00 . A A . 16 GLN C 1 1 13 7271 1 1 16 GLN CA C 0.618 5.489 3.137 1.00 . A A . 16 GLN CA 1 1 13 7272 1 1 16 GLN CB C 0.578 5.767 1.632 1.00 . A A . 16 GLN CB 1 1 13 7273 1 1 16 GLN CD C 1.650 7.062 -0.243 1.00 . A A . 16 GLN CD 1 1 13 7274 1 1 16 GLN CG C 1.683 6.757 1.251 1.00 . A A . 16 GLN CG 1 1 13 7275 1 1 16 GLN H H 2.224 4.159 2.718 1.00 . A A . 16 GLN H 1 1 13 7276 1 1 16 GLN HA H 0.669 6.438 3.673 1.00 . A A . 16 GLN HA 1 1 13 7277 1 1 16 GLN HB2 H 0.723 4.836 1.090 1.00 . A A . 16 GLN HB2 1 1 13 7278 1 1 16 GLN HB3 H -0.391 6.191 1.369 1.00 . A A . 16 GLN HB3 1 1 13 7279 1 1 16 GLN HE21 H -0.202 7.890 -0.083 1.00 . A A . 16 GLN HE21 1 1 13 7280 1 1 16 GLN HE22 H 0.488 7.889 -1.692 1.00 . A A . 16 GLN HE22 1 1 13 7281 1 1 16 GLN HG2 H 1.544 7.683 1.809 1.00 . A A . 16 GLN HG2 1 1 13 7282 1 1 16 GLN HG3 H 2.651 6.329 1.504 1.00 . A A . 16 GLN HG3 1 1 13 7283 1 1 16 GLN N N 1.795 4.695 3.456 1.00 . A A . 16 GLN N 1 1 13 7284 1 1 16 GLN NE2 N 0.555 7.663 -0.711 1.00 . A A . 16 GLN NE2 1 1 13 7285 1 1 16 GLN O O -0.596 3.535 3.834 1.00 . A A . 16 GLN O 1 1 13 7286 1 1 16 GLN OE1 O 2.599 6.758 -0.962 1.00 . A A . 16 GLN OE1 1 1 13 7287 1 1 17 ARG C C -4.047 5.134 2.898 1.00 . A A . 17 ARG C 1 1 13 7288 1 1 17 ARG CA C -3.050 4.904 4.016 1.00 . A A . 17 ARG CA 1 1 13 7289 1 1 17 ARG CB C -3.544 5.557 5.312 1.00 . A A . 17 ARG CB 1 1 13 7290 1 1 17 ARG CD C -6.069 5.472 5.536 1.00 . A A . 17 ARG CD 1 1 13 7291 1 1 17 ARG CG C -4.742 4.776 5.890 1.00 . A A . 17 ARG CG 1 1 13 7292 1 1 17 ARG CZ C -8.488 5.004 5.841 1.00 . A A . 17 ARG CZ 1 1 13 7293 1 1 17 ARG H H -1.730 6.448 3.402 1.00 . A A . 17 ARG H 1 1 13 7294 1 1 17 ARG HA H -2.937 3.836 4.178 1.00 . A A . 17 ARG HA 1 1 13 7295 1 1 17 ARG HB2 H -2.738 5.550 6.036 1.00 . A A . 17 ARG HB2 1 1 13 7296 1 1 17 ARG HB3 H -3.839 6.587 5.111 1.00 . A A . 17 ARG HB3 1 1 13 7297 1 1 17 ARG HD2 H -6.036 6.504 5.885 1.00 . A A . 17 ARG HD2 1 1 13 7298 1 1 17 ARG HD3 H -6.209 5.463 4.455 1.00 . A A . 17 ARG HD3 1 1 13 7299 1 1 17 ARG HE H -6.990 4.111 6.899 1.00 . A A . 17 ARG HE 1 1 13 7300 1 1 17 ARG HG2 H -4.747 3.763 5.490 1.00 . A A . 17 ARG HG2 1 1 13 7301 1 1 17 ARG HG3 H -4.645 4.730 6.975 1.00 . A A . 17 ARG HG3 1 1 13 7302 1 1 17 ARG HH11 H -8.066 6.499 4.517 1.00 . A A . 17 ARG HH11 1 1 13 7303 1 1 17 ARG HH12 H -9.762 6.115 4.695 1.00 . A A . 17 ARG HH12 1 1 13 7304 1 1 17 ARG HH21 H -9.242 3.611 7.139 1.00 . A A . 17 ARG HH21 1 1 13 7305 1 1 17 ARG HH22 H -10.424 4.393 6.110 1.00 . A A . 17 ARG HH22 1 1 13 7306 1 1 17 ARG N N -1.765 5.468 3.634 1.00 . A A . 17 ARG N 1 1 13 7307 1 1 17 ARG NE N -7.201 4.782 6.176 1.00 . A A . 17 ARG NE 1 1 13 7308 1 1 17 ARG NH1 N -8.797 5.950 4.943 1.00 . A A . 17 ARG NH1 1 1 13 7309 1 1 17 ARG NH2 N -9.461 4.279 6.407 1.00 . A A . 17 ARG NH2 1 1 13 7310 1 1 17 ARG O O -3.978 6.141 2.193 1.00 . A A . 17 ARG O 1 1 13 7311 1 1 18 PHE C C -7.304 3.715 2.316 1.00 . A A . 18 PHE C 1 1 13 7312 1 1 18 PHE CA C -6.012 4.277 1.738 1.00 . A A . 18 PHE CA 1 1 13 7313 1 1 18 PHE CB C -5.580 3.488 0.495 1.00 . A A . 18 PHE CB 1 1 13 7314 1 1 18 PHE CD1 C -3.065 3.248 0.542 1.00 . A A . 18 PHE CD1 1 1 13 7315 1 1 18 PHE CD2 C -4.052 4.851 -0.999 1.00 . A A . 18 PHE CD2 1 1 13 7316 1 1 18 PHE CE1 C -1.783 3.601 0.094 1.00 . A A . 18 PHE CE1 1 1 13 7317 1 1 18 PHE CE2 C -2.769 5.207 -1.448 1.00 . A A . 18 PHE CE2 1 1 13 7318 1 1 18 PHE CG C -4.200 3.869 -0.003 1.00 . A A . 18 PHE CG 1 1 13 7319 1 1 18 PHE CZ C -1.635 4.583 -0.900 1.00 . A A . 18 PHE CZ 1 1 13 7320 1 1 18 PHE H H -4.967 3.396 3.366 1.00 . A A . 18 PHE H 1 1 13 7321 1 1 18 PHE HA H -6.171 5.320 1.463 1.00 . A A . 18 PHE HA 1 1 13 7322 1 1 18 PHE HB2 H -5.582 2.424 0.737 1.00 . A A . 18 PHE HB2 1 1 13 7323 1 1 18 PHE HB3 H -6.301 3.666 -0.302 1.00 . A A . 18 PHE HB3 1 1 13 7324 1 1 18 PHE HD1 H -3.178 2.503 1.311 1.00 . A A . 18 PHE HD1 1 1 13 7325 1 1 18 PHE HD2 H -4.924 5.334 -1.416 1.00 . A A . 18 PHE HD2 1 1 13 7326 1 1 18 PHE HE1 H -0.914 3.122 0.516 1.00 . A A . 18 PHE HE1 1 1 13 7327 1 1 18 PHE HE2 H -2.654 5.963 -2.211 1.00 . A A . 18 PHE HE2 1 1 13 7328 1 1 18 PHE HZ H -0.650 4.860 -1.241 1.00 . A A . 18 PHE HZ 1 1 13 7329 1 1 18 PHE N N -4.975 4.197 2.749 1.00 . A A . 18 PHE N 1 1 13 7330 1 1 18 PHE O O -7.336 3.306 3.473 1.00 . A A . 18 PHE O 1 1 13 7331 1 1 19 THR C C -10.017 1.960 1.020 1.00 . A A . 19 THR C 1 1 13 7332 1 1 19 THR CA C -9.656 3.156 1.912 1.00 . A A . 19 THR CA 1 1 13 7333 1 1 19 THR CB C -10.721 4.260 1.812 1.00 . A A . 19 THR CB 1 1 13 7334 1 1 19 THR CG2 C -11.863 3.977 2.793 1.00 . A A . 19 THR CG2 1 1 13 7335 1 1 19 THR H H -8.274 4.066 0.574 1.00 . A A . 19 THR H 1 1 13 7336 1 1 19 THR HA H -9.596 2.817 2.946 1.00 . A A . 19 THR HA 1 1 13 7337 1 1 19 THR HB H -11.116 4.297 0.795 1.00 . A A . 19 THR HB 1 1 13 7338 1 1 19 THR HG1 H -9.451 5.364 2.782 1.00 . A A . 19 THR HG1 1 1 13 7339 1 1 19 THR HG21 H -11.468 3.922 3.807 1.00 . A A . 19 THR HG21 1 1 13 7340 1 1 19 THR HG22 H -12.598 4.781 2.735 1.00 . A A . 19 THR HG22 1 1 13 7341 1 1 19 THR HG23 H -12.340 3.032 2.539 1.00 . A A . 19 THR HG23 1 1 13 7342 1 1 19 THR N N -8.362 3.697 1.505 1.00 . A A . 19 THR N 1 1 13 7343 1 1 19 THR O O -11.168 1.533 0.989 1.00 . A A . 19 THR O 1 1 13 7344 1 1 19 THR OG1 O -10.140 5.509 2.130 1.00 . A A . 19 THR OG1 1 1 13 7345 1 1 20 ASN C C -7.956 -0.528 -0.702 1.00 . A A . 20 ASN C 1 1 13 7346 1 1 20 ASN CA C -9.234 0.294 -0.604 1.00 . A A . 20 ASN CA 1 1 13 7347 1 1 20 ASN CB C -9.627 0.815 -1.994 1.00 . A A . 20 ASN CB 1 1 13 7348 1 1 20 ASN CG C -11.134 0.739 -2.211 1.00 . A A . 20 ASN CG 1 1 13 7349 1 1 20 ASN H H -8.092 1.801 0.363 1.00 . A A . 20 ASN H 1 1 13 7350 1 1 20 ASN HA H -10.034 -0.336 -0.213 1.00 . A A . 20 ASN HA 1 1 13 7351 1 1 20 ASN HB2 H -9.302 1.850 -2.093 1.00 . A A . 20 ASN HB2 1 1 13 7352 1 1 20 ASN HB3 H -9.130 0.214 -2.756 1.00 . A A . 20 ASN HB3 1 1 13 7353 1 1 20 ASN HD21 H -10.947 -1.053 -3.175 1.00 . A A . 20 ASN HD21 1 1 13 7354 1 1 20 ASN HD22 H -12.589 -0.468 -2.958 1.00 . A A . 20 ASN HD22 1 1 13 7355 1 1 20 ASN N N -9.023 1.420 0.294 1.00 . A A . 20 ASN N 1 1 13 7356 1 1 20 ASN ND2 N -11.596 -0.348 -2.830 1.00 . A A . 20 ASN ND2 1 1 13 7357 1 1 20 ASN O O -6.856 0.029 -0.734 1.00 . A A . 20 ASN O 1 1 13 7358 1 1 20 ASN OD1 O -11.865 1.647 -1.828 1.00 . A A . 20 ASN OD1 1 1 13 7359 1 1 21 GLU C C -6.352 -2.568 -2.285 1.00 . A A . 21 GLU C 1 1 13 7360 1 1 21 GLU CA C -6.971 -2.755 -0.902 1.00 . A A . 21 GLU CA 1 1 13 7361 1 1 21 GLU CB C -7.445 -4.204 -0.706 1.00 . A A . 21 GLU CB 1 1 13 7362 1 1 21 GLU CD C -6.006 -4.752 1.294 1.00 . A A . 21 GLU CD 1 1 13 7363 1 1 21 GLU CG C -6.298 -5.069 -0.170 1.00 . A A . 21 GLU CG 1 1 13 7364 1 1 21 GLU H H -9.031 -2.256 -0.721 1.00 . A A . 21 GLU H 1 1 13 7365 1 1 21 GLU HA H -6.231 -2.510 -0.146 1.00 . A A . 21 GLU HA 1 1 13 7366 1 1 21 GLU HB2 H -8.272 -4.226 0.002 1.00 . A A . 21 GLU HB2 1 1 13 7367 1 1 21 GLU HB3 H -7.783 -4.605 -1.663 1.00 . A A . 21 GLU HB3 1 1 13 7368 1 1 21 GLU HG2 H -6.574 -6.120 -0.256 1.00 . A A . 21 GLU HG2 1 1 13 7369 1 1 21 GLU HG3 H -5.402 -4.888 -0.764 1.00 . A A . 21 GLU HG3 1 1 13 7370 1 1 21 GLU N N -8.106 -1.856 -0.763 1.00 . A A . 21 GLU N 1 1 13 7371 1 1 21 GLU O O -5.161 -2.782 -2.470 1.00 . A A . 21 GLU O 1 1 13 7372 1 1 21 GLU OE1 O -6.879 -5.071 2.132 1.00 . A A . 21 GLU OE1 1 1 13 7373 1 1 21 GLU OE2 O -4.918 -4.195 1.547 1.00 . A A . 21 GLU OE2 1 1 13 7374 1 1 22 ASP C C -5.615 -0.926 -4.663 1.00 . A A . 22 ASP C 1 1 13 7375 1 1 22 ASP CA C -6.762 -1.932 -4.617 1.00 . A A . 22 ASP CA 1 1 13 7376 1 1 22 ASP CB C -7.958 -1.390 -5.398 1.00 . A A . 22 ASP CB 1 1 13 7377 1 1 22 ASP CG C -9.198 -2.250 -5.182 1.00 . A A . 22 ASP CG 1 1 13 7378 1 1 22 ASP H H -8.159 -2.007 -3.025 1.00 . A A . 22 ASP H 1 1 13 7379 1 1 22 ASP HA H -6.437 -2.875 -5.060 1.00 . A A . 22 ASP HA 1 1 13 7380 1 1 22 ASP HB2 H -8.168 -0.376 -5.057 1.00 . A A . 22 ASP HB2 1 1 13 7381 1 1 22 ASP HB3 H -7.714 -1.367 -6.458 1.00 . A A . 22 ASP HB3 1 1 13 7382 1 1 22 ASP N N -7.183 -2.164 -3.248 1.00 . A A . 22 ASP N 1 1 13 7383 1 1 22 ASP O O -4.593 -1.161 -5.310 1.00 . A A . 22 ASP O 1 1 13 7384 1 1 22 ASP OD1 O -9.824 -2.081 -4.106 1.00 . A A . 22 ASP OD1 1 1 13 7385 1 1 22 ASP OD2 O -9.497 -3.055 -6.087 1.00 . A A . 22 ASP OD2 1 1 13 7386 1 1 23 HIS C C -3.560 0.767 -3.227 1.00 . A A . 23 HIS C 1 1 13 7387 1 1 23 HIS CA C -4.795 1.258 -3.958 1.00 . A A . 23 HIS CA 1 1 13 7388 1 1 23 HIS CB C -5.373 2.499 -3.272 1.00 . A A . 23 HIS CB 1 1 13 7389 1 1 23 HIS CD2 C -7.752 3.622 -3.354 1.00 . A A . 23 HIS CD2 1 1 13 7390 1 1 23 HIS CE1 C -8.233 3.262 -5.399 1.00 . A A . 23 HIS CE1 1 1 13 7391 1 1 23 HIS CG C -6.676 2.953 -3.879 1.00 . A A . 23 HIS CG 1 1 13 7392 1 1 23 HIS H H -6.641 0.340 -3.448 1.00 . A A . 23 HIS H 1 1 13 7393 1 1 23 HIS HA H -4.525 1.509 -4.984 1.00 . A A . 23 HIS HA 1 1 13 7394 1 1 23 HIS HB2 H -5.537 2.273 -2.219 1.00 . A A . 23 HIS HB2 1 1 13 7395 1 1 23 HIS HB3 H -4.649 3.310 -3.349 1.00 . A A . 23 HIS HB3 1 1 13 7396 1 1 23 HIS HD1 H -6.446 2.257 -5.901 1.00 . A A . 23 HIS HD1 1 1 13 7397 1 1 23 HIS HD2 H -7.820 3.949 -2.329 1.00 . A A . 23 HIS HD2 1 1 13 7398 1 1 23 HIS HE1 H -8.751 3.237 -6.347 1.00 . A A . 23 HIS HE1 1 1 13 7399 1 1 23 HIS N N -5.792 0.205 -3.976 1.00 . A A . 23 HIS N 1 1 13 7400 1 1 23 HIS ND1 N -7.010 2.728 -5.210 1.00 . A A . 23 HIS ND1 1 1 13 7401 1 1 23 HIS NE2 N -8.743 3.824 -4.303 1.00 . A A . 23 HIS NE2 1 1 13 7402 1 1 23 HIS O O -2.435 1.052 -3.636 1.00 . A A . 23 HIS O 1 1 13 7403 1 1 24 LEU C C -1.910 -1.555 -2.182 1.00 . A A . 24 LEU C 1 1 13 7404 1 1 24 LEU CA C -2.680 -0.520 -1.361 1.00 . A A . 24 LEU CA 1 1 13 7405 1 1 24 LEU CB C -3.226 -1.152 -0.084 1.00 . A A . 24 LEU CB 1 1 13 7406 1 1 24 LEU CD1 C -2.084 0.091 1.764 1.00 . A A . 24 LEU CD1 1 1 13 7407 1 1 24 LEU CD2 C -2.386 -2.374 1.940 1.00 . A A . 24 LEU CD2 1 1 13 7408 1 1 24 LEU CG C -2.113 -1.215 0.980 1.00 . A A . 24 LEU CG 1 1 13 7409 1 1 24 LEU H H -4.724 -0.183 -1.854 1.00 . A A . 24 LEU H 1 1 13 7410 1 1 24 LEU HA H -2.007 0.293 -1.092 1.00 . A A . 24 LEU HA 1 1 13 7411 1 1 24 LEU HB2 H -4.056 -0.552 0.292 1.00 . A A . 24 LEU HB2 1 1 13 7412 1 1 24 LEU HB3 H -3.585 -2.157 -0.307 1.00 . A A . 24 LEU HB3 1 1 13 7413 1 1 24 LEU HD11 H -3.098 0.405 1.984 1.00 . A A . 24 LEU HD11 1 1 13 7414 1 1 24 LEU HD12 H -1.541 -0.056 2.696 1.00 . A A . 24 LEU HD12 1 1 13 7415 1 1 24 LEU HD13 H -1.586 0.858 1.172 1.00 . A A . 24 LEU HD13 1 1 13 7416 1 1 24 LEU HD21 H -3.347 -2.222 2.431 1.00 . A A . 24 LEU HD21 1 1 13 7417 1 1 24 LEU HD22 H -2.405 -3.311 1.383 1.00 . A A . 24 LEU HD22 1 1 13 7418 1 1 24 LEU HD23 H -1.598 -2.416 2.693 1.00 . A A . 24 LEU HD23 1 1 13 7419 1 1 24 LEU HG H -1.140 -1.362 0.500 1.00 . A A . 24 LEU HG 1 1 13 7420 1 1 24 LEU N N -3.773 0.020 -2.143 1.00 . A A . 24 LEU N 1 1 13 7421 1 1 24 LEU O O -0.721 -1.734 -1.975 1.00 . A A . 24 LEU O 1 1 13 7422 1 1 25 ALA C C -0.884 -2.611 -4.817 1.00 . A A . 25 ALA C 1 1 13 7423 1 1 25 ALA CA C -1.957 -3.249 -3.940 1.00 . A A . 25 ALA CA 1 1 13 7424 1 1 25 ALA CB C -3.014 -3.950 -4.796 1.00 . A A . 25 ALA CB 1 1 13 7425 1 1 25 ALA H H -3.576 -2.053 -3.248 1.00 . A A . 25 ALA H 1 1 13 7426 1 1 25 ALA HA H -1.487 -3.988 -3.291 1.00 . A A . 25 ALA HA 1 1 13 7427 1 1 25 ALA HB1 H -3.804 -4.339 -4.154 1.00 . A A . 25 ALA HB1 1 1 13 7428 1 1 25 ALA HB2 H -3.440 -3.244 -5.506 1.00 . A A . 25 ALA HB2 1 1 13 7429 1 1 25 ALA HB3 H -2.552 -4.774 -5.339 1.00 . A A . 25 ALA HB3 1 1 13 7430 1 1 25 ALA N N -2.589 -2.236 -3.112 1.00 . A A . 25 ALA N 1 1 13 7431 1 1 25 ALA O O 0.283 -2.983 -4.732 1.00 . A A . 25 ALA O 1 1 13 7432 1 1 26 VAL C C 0.725 -0.218 -5.746 1.00 . A A . 26 VAL C 1 1 13 7433 1 1 26 VAL CA C -0.326 -0.988 -6.558 1.00 . A A . 26 VAL CA 1 1 13 7434 1 1 26 VAL CB C -1.073 -0.056 -7.535 1.00 . A A . 26 VAL CB 1 1 13 7435 1 1 26 VAL CG1 C -2.015 -0.886 -8.413 1.00 . A A . 26 VAL CG1 1 1 13 7436 1 1 26 VAL CG2 C -1.887 1.000 -6.775 1.00 . A A . 26 VAL CG2 1 1 13 7437 1 1 26 VAL H H -2.245 -1.372 -5.694 1.00 . A A . 26 VAL H 1 1 13 7438 1 1 26 VAL HA H 0.188 -1.753 -7.142 1.00 . A A . 26 VAL HA 1 1 13 7439 1 1 26 VAL HB H -0.344 0.447 -8.172 1.00 . A A . 26 VAL HB 1 1 13 7440 1 1 26 VAL HG11 H -1.448 -1.666 -8.920 1.00 . A A . 26 VAL HG11 1 1 13 7441 1 1 26 VAL HG12 H -2.788 -1.341 -7.796 1.00 . A A . 26 VAL HG12 1 1 13 7442 1 1 26 VAL HG13 H -2.481 -0.238 -9.158 1.00 . A A . 26 VAL HG13 1 1 13 7443 1 1 26 VAL HG21 H -2.596 0.510 -6.113 1.00 . A A . 26 VAL HG21 1 1 13 7444 1 1 26 VAL HG22 H -1.219 1.631 -6.192 1.00 . A A . 26 VAL HG22 1 1 13 7445 1 1 26 VAL HG23 H -2.431 1.619 -7.490 1.00 . A A . 26 VAL HG23 1 1 13 7446 1 1 26 VAL N N -1.273 -1.649 -5.663 1.00 . A A . 26 VAL N 1 1 13 7447 1 1 26 VAL O O 1.893 -0.160 -6.136 1.00 . A A . 26 VAL O 1 1 13 7448 1 1 27 HIS C C 2.271 0.223 -3.158 1.00 . A A . 27 HIS C 1 1 13 7449 1 1 27 HIS CA C 1.207 1.137 -3.769 1.00 . A A . 27 HIS CA 1 1 13 7450 1 1 27 HIS CB C 0.384 1.824 -2.676 1.00 . A A . 27 HIS CB 1 1 13 7451 1 1 27 HIS CD2 C 1.488 1.754 -0.302 1.00 . A A . 27 HIS CD2 1 1 13 7452 1 1 27 HIS CE1 C 2.529 3.608 -0.342 1.00 . A A . 27 HIS CE1 1 1 13 7453 1 1 27 HIS CG C 1.218 2.305 -1.523 1.00 . A A . 27 HIS CG 1 1 13 7454 1 1 27 HIS H H -0.662 0.294 -4.342 1.00 . A A . 27 HIS H 1 1 13 7455 1 1 27 HIS HA H 1.701 1.901 -4.370 1.00 . A A . 27 HIS HA 1 1 13 7456 1 1 27 HIS HB2 H -0.145 2.672 -3.110 1.00 . A A . 27 HIS HB2 1 1 13 7457 1 1 27 HIS HB3 H -0.346 1.114 -2.295 1.00 . A A . 27 HIS HB3 1 1 13 7458 1 1 27 HIS HD1 H 1.928 4.187 -2.282 1.00 . A A . 27 HIS HD1 1 1 13 7459 1 1 27 HIS HD2 H 1.102 0.802 0.026 1.00 . A A . 27 HIS HD2 1 1 13 7460 1 1 27 HIS HE1 H 3.144 4.447 -0.064 1.00 . A A . 27 HIS HE1 1 1 13 7461 1 1 27 HIS N N 0.310 0.373 -4.620 1.00 . A A . 27 HIS N 1 1 13 7462 1 1 27 HIS ND1 N 1.904 3.511 -1.532 1.00 . A A . 27 HIS ND1 1 1 13 7463 1 1 27 HIS NE2 N 2.315 2.564 0.459 1.00 . A A . 27 HIS NE2 1 1 13 7464 1 1 27 HIS O O 3.463 0.447 -3.353 1.00 . A A . 27 HIS O 1 1 13 7465 1 1 28 LYS C C 3.587 -2.469 -2.759 1.00 . A A . 28 LYS C 1 1 13 7466 1 1 28 LYS CA C 2.751 -1.709 -1.739 1.00 . A A . 28 LYS CA 1 1 13 7467 1 1 28 LYS CB C 1.982 -2.667 -0.806 1.00 . A A . 28 LYS CB 1 1 13 7468 1 1 28 LYS CD C 0.595 -4.747 -0.656 1.00 . A A . 28 LYS CD 1 1 13 7469 1 1 28 LYS CE C 0.302 -6.102 -1.309 1.00 . A A . 28 LYS CE 1 1 13 7470 1 1 28 LYS CG C 1.510 -3.917 -1.562 1.00 . A A . 28 LYS CG 1 1 13 7471 1 1 28 LYS H H 0.851 -0.948 -2.295 1.00 . A A . 28 LYS H 1 1 13 7472 1 1 28 LYS HA H 3.426 -1.117 -1.125 1.00 . A A . 28 LYS HA 1 1 13 7473 1 1 28 LYS HB2 H 2.640 -2.973 0.007 1.00 . A A . 28 LYS HB2 1 1 13 7474 1 1 28 LYS HB3 H 1.120 -2.148 -0.387 1.00 . A A . 28 LYS HB3 1 1 13 7475 1 1 28 LYS HD2 H 1.081 -4.904 0.308 1.00 . A A . 28 LYS HD2 1 1 13 7476 1 1 28 LYS HD3 H -0.343 -4.209 -0.503 1.00 . A A . 28 LYS HD3 1 1 13 7477 1 1 28 LYS HE2 H -0.576 -6.543 -0.835 1.00 . A A . 28 LYS HE2 1 1 13 7478 1 1 28 LYS HE3 H 0.097 -5.954 -2.371 1.00 . A A . 28 LYS HE3 1 1 13 7479 1 1 28 LYS HG2 H 0.961 -3.620 -2.452 1.00 . A A . 28 LYS HG2 1 1 13 7480 1 1 28 LYS HG3 H 2.373 -4.517 -1.850 1.00 . A A . 28 LYS HG3 1 1 13 7481 1 1 28 LYS HZ1 H 1.656 -7.152 -0.182 1.00 . A A . 28 LYS HZ1 1 1 13 7482 1 1 28 LYS HZ2 H 1.203 -7.926 -1.564 1.00 . A A . 28 LYS HZ2 1 1 13 7483 1 1 28 LYS HZ3 H 2.257 -6.657 -1.639 1.00 . A A . 28 LYS HZ3 1 1 13 7484 1 1 28 LYS N N 1.837 -0.800 -2.409 1.00 . A A . 28 LYS N 1 1 13 7485 1 1 28 LYS NZ N 1.442 -7.032 -1.161 1.00 . A A . 28 LYS NZ 1 1 13 7486 1 1 28 LYS O O 4.737 -2.746 -2.495 1.00 . A A . 28 LYS O 1 1 13 7487 1 1 29 HIS C C 5.009 -2.760 -5.333 1.00 . A A . 29 HIS C 1 1 13 7488 1 1 29 HIS CA C 3.740 -3.526 -4.960 1.00 . A A . 29 HIS CA 1 1 13 7489 1 1 29 HIS CB C 2.845 -3.713 -6.188 1.00 . A A . 29 HIS CB 1 1 13 7490 1 1 29 HIS CD2 C 3.844 -5.589 -7.745 1.00 . A A . 29 HIS CD2 1 1 13 7491 1 1 29 HIS CE1 C 4.774 -4.352 -9.211 1.00 . A A . 29 HIS CE1 1 1 13 7492 1 1 29 HIS CG C 3.590 -4.297 -7.359 1.00 . A A . 29 HIS CG 1 1 13 7493 1 1 29 HIS H H 2.046 -2.552 -4.101 1.00 . A A . 29 HIS H 1 1 13 7494 1 1 29 HIS HA H 4.020 -4.508 -4.577 1.00 . A A . 29 HIS HA 1 1 13 7495 1 1 29 HIS HB2 H 2.024 -4.380 -5.927 1.00 . A A . 29 HIS HB2 1 1 13 7496 1 1 29 HIS HB3 H 2.435 -2.746 -6.479 1.00 . A A . 29 HIS HB3 1 1 13 7497 1 1 29 HIS HD1 H 4.223 -2.500 -8.360 1.00 . A A . 29 HIS HD1 1 1 13 7498 1 1 29 HIS HD2 H 3.504 -6.461 -7.204 1.00 . A A . 29 HIS HD2 1 1 13 7499 1 1 29 HIS HE1 H 5.326 -4.019 -10.077 1.00 . A A . 29 HIS HE1 1 1 13 7500 1 1 29 HIS N N 3.011 -2.803 -3.925 1.00 . A A . 29 HIS N 1 1 13 7501 1 1 29 HIS ND1 N 4.206 -3.509 -8.326 1.00 . A A . 29 HIS ND1 1 1 13 7502 1 1 29 HIS NE2 N 4.590 -5.639 -8.913 1.00 . A A . 29 HIS NE2 1 1 13 7503 1 1 29 HIS O O 6.070 -3.355 -5.481 1.00 . A A . 29 HIS O 1 1 13 7504 1 1 30 LYS C C 7.133 -0.693 -4.782 1.00 . A A . 30 LYS C 1 1 13 7505 1 1 30 LYS CA C 6.021 -0.590 -5.838 1.00 . A A . 30 LYS CA 1 1 13 7506 1 1 30 LYS CB C 5.528 0.855 -5.967 1.00 . A A . 30 LYS CB 1 1 13 7507 1 1 30 LYS CD C 6.061 3.089 -6.996 1.00 . A A . 30 LYS CD 1 1 13 7508 1 1 30 LYS CE C 5.402 3.825 -5.820 1.00 . A A . 30 LYS CE 1 1 13 7509 1 1 30 LYS CG C 6.640 1.743 -6.533 1.00 . A A . 30 LYS CG 1 1 13 7510 1 1 30 LYS H H 3.989 -0.997 -5.343 1.00 . A A . 30 LYS H 1 1 13 7511 1 1 30 LYS HA H 6.413 -0.916 -6.800 1.00 . A A . 30 LYS HA 1 1 13 7512 1 1 30 LYS HB2 H 4.667 0.881 -6.636 1.00 . A A . 30 LYS HB2 1 1 13 7513 1 1 30 LYS HB3 H 5.234 1.223 -4.984 1.00 . A A . 30 LYS HB3 1 1 13 7514 1 1 30 LYS HD2 H 6.869 3.704 -7.394 1.00 . A A . 30 LYS HD2 1 1 13 7515 1 1 30 LYS HD3 H 5.322 2.917 -7.781 1.00 . A A . 30 LYS HD3 1 1 13 7516 1 1 30 LYS HE2 H 5.911 3.555 -4.894 1.00 . A A . 30 LYS HE2 1 1 13 7517 1 1 30 LYS HE3 H 5.497 4.899 -5.977 1.00 . A A . 30 LYS HE3 1 1 13 7518 1 1 30 LYS HG2 H 7.394 1.918 -5.764 1.00 . A A . 30 LYS HG2 1 1 13 7519 1 1 30 LYS HG3 H 7.103 1.244 -7.384 1.00 . A A . 30 LYS HG3 1 1 13 7520 1 1 30 LYS HZ1 H 3.491 3.746 -6.557 1.00 . A A . 30 LYS HZ1 1 1 13 7521 1 1 30 LYS HZ2 H 3.867 2.491 -5.557 1.00 . A A . 30 LYS HZ2 1 1 13 7522 1 1 30 LYS HZ3 H 3.566 3.983 -4.926 1.00 . A A . 30 LYS HZ3 1 1 13 7523 1 1 30 LYS N N 4.891 -1.436 -5.481 1.00 . A A . 30 LYS N 1 1 13 7524 1 1 30 LYS NZ N 3.969 3.484 -5.705 1.00 . A A . 30 LYS NZ 1 1 13 7525 1 1 30 LYS O O 8.304 -0.505 -5.100 1.00 . A A . 30 LYS O 1 1 13 7526 1 1 31 HIS C C 8.179 -2.538 -2.238 1.00 . A A . 31 HIS C 1 1 13 7527 1 1 31 HIS CA C 7.714 -1.090 -2.429 1.00 . A A . 31 HIS CA 1 1 13 7528 1 1 31 HIS CB C 7.028 -0.600 -1.153 1.00 . A A . 31 HIS CB 1 1 13 7529 1 1 31 HIS CD2 C 5.242 1.344 -1.032 1.00 . A A . 31 HIS CD2 1 1 13 7530 1 1 31 HIS CE1 C 6.460 2.951 -1.727 1.00 . A A . 31 HIS CE1 1 1 13 7531 1 1 31 HIS CG C 6.481 0.799 -1.284 1.00 . A A . 31 HIS CG 1 1 13 7532 1 1 31 HIS H H 5.777 -1.141 -3.325 1.00 . A A . 31 HIS H 1 1 13 7533 1 1 31 HIS HA H 8.580 -0.459 -2.636 1.00 . A A . 31 HIS HA 1 1 13 7534 1 1 31 HIS HB2 H 6.209 -1.281 -0.922 1.00 . A A . 31 HIS HB2 1 1 13 7535 1 1 31 HIS HB3 H 7.748 -0.622 -0.334 1.00 . A A . 31 HIS HB3 1 1 13 7536 1 1 31 HIS HD1 H 8.222 1.826 -2.016 1.00 . A A . 31 HIS HD1 1 1 13 7537 1 1 31 HIS HD2 H 4.388 0.784 -0.663 1.00 . A A . 31 HIS HD2 1 1 13 7538 1 1 31 HIS HE1 H 6.797 3.931 -2.032 1.00 . A A . 31 HIS HE1 1 1 13 7539 1 1 31 HIS N N 6.760 -0.987 -3.530 1.00 . A A . 31 HIS N 1 1 13 7540 1 1 31 HIS ND1 N 7.252 1.863 -1.735 1.00 . A A . 31 HIS ND1 1 1 13 7541 1 1 31 HIS NE2 N 5.219 2.704 -1.308 1.00 . A A . 31 HIS NE2 1 1 13 7542 1 1 31 HIS O O 9.306 -2.782 -1.813 1.00 . A A . 31 HIS O 1 1 13 7543 1 1 32 GLU C C 8.434 -5.452 -3.436 1.00 . A A . 32 GLU C 1 1 13 7544 1 1 32 GLU CA C 7.532 -4.901 -2.336 1.00 . A A . 32 GLU CA 1 1 13 7545 1 1 32 GLU CB C 6.168 -5.603 -2.335 1.00 . A A . 32 GLU CB 1 1 13 7546 1 1 32 GLU CD C 4.896 -7.615 -1.535 1.00 . A A . 32 GLU CD 1 1 13 7547 1 1 32 GLU CG C 6.283 -7.022 -1.774 1.00 . A A . 32 GLU CG 1 1 13 7548 1 1 32 GLU H H 6.396 -3.213 -2.904 1.00 . A A . 32 GLU H 1 1 13 7549 1 1 32 GLU HA H 8.014 -5.050 -1.368 1.00 . A A . 32 GLU HA 1 1 13 7550 1 1 32 GLU HB2 H 5.476 -5.033 -1.714 1.00 . A A . 32 GLU HB2 1 1 13 7551 1 1 32 GLU HB3 H 5.784 -5.647 -3.354 1.00 . A A . 32 GLU HB3 1 1 13 7552 1 1 32 GLU HG2 H 6.825 -7.647 -2.483 1.00 . A A . 32 GLU HG2 1 1 13 7553 1 1 32 GLU HG3 H 6.827 -6.994 -0.830 1.00 . A A . 32 GLU HG3 1 1 13 7554 1 1 32 GLU N N 7.291 -3.483 -2.533 1.00 . A A . 32 GLU N 1 1 13 7555 1 1 32 GLU O O 9.254 -6.334 -3.183 1.00 . A A . 32 GLU O 1 1 13 7556 1 1 32 GLU OE1 O 3.924 -7.039 -2.082 1.00 . A A . 32 GLU OE1 1 1 13 7557 1 1 32 GLU OE2 O 4.827 -8.628 -0.810 1.00 . A A . 32 GLU OE2 1 1 13 7558 1 1 33 MET C C 10.523 -4.974 -5.628 1.00 . A A . 33 MET C 1 1 13 7559 1 1 33 MET CA C 9.066 -5.405 -5.791 1.00 . A A . 33 MET CA 1 1 13 7560 1 1 33 MET CB C 8.468 -4.870 -7.101 1.00 . A A . 33 MET CB 1 1 13 7561 1 1 33 MET CE C 8.806 -1.025 -8.700 1.00 . A A . 33 MET CE 1 1 13 7562 1 1 33 MET CG C 8.799 -3.384 -7.280 1.00 . A A . 33 MET CG 1 1 13 7563 1 1 33 MET H H 7.595 -4.204 -4.810 1.00 . A A . 33 MET H 1 1 13 7564 1 1 33 MET HA H 9.024 -6.495 -5.813 1.00 . A A . 33 MET HA 1 1 13 7565 1 1 33 MET HB2 H 8.881 -5.431 -7.940 1.00 . A A . 33 MET HB2 1 1 13 7566 1 1 33 MET HB3 H 7.385 -4.998 -7.083 1.00 . A A . 33 MET HB3 1 1 13 7567 1 1 33 MET HE1 H 8.719 -0.542 -7.728 1.00 . A A . 33 MET HE1 1 1 13 7568 1 1 33 MET HE2 H 9.857 -1.195 -8.928 1.00 . A A . 33 MET HE2 1 1 13 7569 1 1 33 MET HE3 H 8.367 -0.384 -9.464 1.00 . A A . 33 MET HE3 1 1 13 7570 1 1 33 MET HG2 H 8.536 -2.852 -6.367 1.00 . A A . 33 MET HG2 1 1 13 7571 1 1 33 MET HG3 H 9.872 -3.283 -7.448 1.00 . A A . 33 MET HG3 1 1 13 7572 1 1 33 MET N N 8.279 -4.937 -4.659 1.00 . A A . 33 MET N 1 1 13 7573 1 1 33 MET O O 10.810 -3.951 -5.005 1.00 . A A . 33 MET O 1 1 13 7574 1 1 33 MET SD S 7.932 -2.609 -8.668 1.00 . A A . 33 MET SD 1 1 13 7575 1 1 34 THR C C 13.551 -6.066 -7.359 1.00 . A A . 34 THR C 1 1 13 7576 1 1 34 THR CA C 12.867 -5.478 -6.122 1.00 . A A . 34 THR CA 1 1 13 7577 1 1 34 THR CB C 13.440 -6.046 -4.806 1.00 . A A . 34 THR CB 1 1 13 7578 1 1 34 THR CG2 C 12.949 -7.483 -4.575 1.00 . A A . 34 THR CG2 1 1 13 7579 1 1 34 THR H H 11.146 -6.590 -6.691 1.00 . A A . 34 THR H 1 1 13 7580 1 1 34 THR HA H 13.012 -4.396 -6.127 1.00 . A A . 34 THR HA 1 1 13 7581 1 1 34 THR HB H 13.106 -5.422 -3.975 1.00 . A A . 34 THR HB 1 1 13 7582 1 1 34 THR HG1 H 15.140 -6.600 -5.570 1.00 . A A . 34 THR HG1 1 1 13 7583 1 1 34 THR HG21 H 13.139 -8.086 -5.461 1.00 . A A . 34 THR HG21 1 1 13 7584 1 1 34 THR HG22 H 13.480 -7.913 -3.725 1.00 . A A . 34 THR HG22 1 1 13 7585 1 1 34 THR HG23 H 11.880 -7.475 -4.363 1.00 . A A . 34 THR HG23 1 1 13 7586 1 1 34 THR N N 11.442 -5.763 -6.193 1.00 . A A . 34 THR N 1 1 13 7587 1 1 34 THR O O 14.319 -7.023 -7.264 1.00 . A A . 34 THR O 1 1 13 7588 1 1 34 THR OG1 O 14.852 -6.030 -4.850 1.00 . A A . 34 THR OG1 1 1 13 7589 1 1 35 LEU C C 13.372 -7.397 -10.049 1.00 . A A . 35 LEU C 1 1 13 7590 1 1 35 LEU CA C 13.803 -5.946 -9.801 1.00 . A A . 35 LEU CA 1 1 13 7591 1 1 35 LEU CB C 15.336 -5.810 -9.782 1.00 . A A . 35 LEU CB 1 1 13 7592 1 1 35 LEU CD1 C 15.759 -4.214 -11.675 1.00 . A A . 35 LEU CD1 1 1 13 7593 1 1 35 LEU CD2 C 17.343 -6.099 -11.251 1.00 . A A . 35 LEU CD2 1 1 13 7594 1 1 35 LEU CG C 15.873 -5.671 -11.215 1.00 . A A . 35 LEU CG 1 1 13 7595 1 1 35 LEU H H 12.623 -4.695 -8.545 1.00 . A A . 35 LEU H 1 1 13 7596 1 1 35 LEU HA H 13.402 -5.322 -10.599 1.00 . A A . 35 LEU HA 1 1 13 7597 1 1 35 LEU HB2 H 15.615 -4.928 -9.205 1.00 . A A . 35 LEU HB2 1 1 13 7598 1 1 35 LEU HB3 H 15.771 -6.695 -9.317 1.00 . A A . 35 LEU HB3 1 1 13 7599 1 1 35 LEU HD11 H 16.339 -3.574 -11.010 1.00 . A A . 35 LEU HD11 1 1 13 7600 1 1 35 LEU HD12 H 16.145 -4.122 -12.691 1.00 . A A . 35 LEU HD12 1 1 13 7601 1 1 35 LEU HD13 H 14.715 -3.904 -11.656 1.00 . A A . 35 LEU HD13 1 1 13 7602 1 1 35 LEU HD21 H 17.918 -5.486 -10.558 1.00 . A A . 35 LEU HD21 1 1 13 7603 1 1 35 LEU HD22 H 17.424 -7.147 -10.962 1.00 . A A . 35 LEU HD22 1 1 13 7604 1 1 35 LEU HD23 H 17.735 -5.971 -12.260 1.00 . A A . 35 LEU HD23 1 1 13 7605 1 1 35 LEU HG H 15.298 -6.308 -11.886 1.00 . A A . 35 LEU HG 1 1 13 7606 1 1 35 LEU N N 13.253 -5.483 -8.530 1.00 . A A . 35 LEU N 1 1 13 7607 1 1 35 LEU O O 14.092 -8.168 -10.681 1.00 . A A . 35 LEU O 1 1 13 7608 1 1 36 LYS C C 10.156 -9.069 -9.359 1.00 . A A . 36 LYS C 1 1 13 7609 1 1 36 LYS CA C 11.647 -9.100 -9.688 1.00 . A A . 36 LYS CA 1 1 13 7610 1 1 36 LYS CB C 12.400 -10.056 -8.748 1.00 . A A . 36 LYS CB 1 1 13 7611 1 1 36 LYS CD C 12.842 -12.449 -8.166 1.00 . A A . 36 LYS CD 1 1 13 7612 1 1 36 LYS CE C 13.053 -13.829 -8.800 1.00 . A A . 36 LYS CE 1 1 13 7613 1 1 36 LYS CG C 12.137 -11.510 -9.154 1.00 . A A . 36 LYS CG 1 1 13 7614 1 1 36 LYS H H 11.635 -7.083 -9.035 1.00 . A A . 36 LYS H 1 1 13 7615 1 1 36 LYS HA H 11.783 -9.430 -10.719 1.00 . A A . 36 LYS HA 1 1 13 7616 1 1 36 LYS HB2 H 13.469 -9.856 -8.808 1.00 . A A . 36 LYS HB2 1 1 13 7617 1 1 36 LYS HB3 H 12.063 -9.899 -7.722 1.00 . A A . 36 LYS HB3 1 1 13 7618 1 1 36 LYS HD2 H 13.813 -12.028 -7.900 1.00 . A A . 36 LYS HD2 1 1 13 7619 1 1 36 LYS HD3 H 12.235 -12.550 -7.265 1.00 . A A . 36 LYS HD3 1 1 13 7620 1 1 36 LYS HE2 H 13.615 -13.717 -9.727 1.00 . A A . 36 LYS HE2 1 1 13 7621 1 1 36 LYS HE3 H 13.625 -14.452 -8.112 1.00 . A A . 36 LYS HE3 1 1 13 7622 1 1 36 LYS HG2 H 11.063 -11.707 -9.140 1.00 . A A . 36 LYS HG2 1 1 13 7623 1 1 36 LYS HG3 H 12.524 -11.680 -10.160 1.00 . A A . 36 LYS HG3 1 1 13 7624 1 1 36 LYS HZ1 H 11.208 -14.542 -8.247 1.00 . A A . 36 LYS HZ1 1 1 13 7625 1 1 36 LYS HZ2 H 11.260 -13.966 -9.795 1.00 . A A . 36 LYS HZ2 1 1 13 7626 1 1 36 LYS HZ3 H 11.940 -15.427 -9.433 1.00 . A A . 36 LYS HZ3 1 1 13 7627 1 1 36 LYS N N 12.185 -7.760 -9.542 1.00 . A A . 36 LYS N 1 1 13 7628 1 1 36 LYS NZ N 11.770 -14.493 -9.091 1.00 . A A . 36 LYS NZ 1 1 13 7629 1 1 36 LYS O O 9.782 -8.898 -8.201 1.00 . A A . 36 LYS O 1 1 13 7630 1 1 37 PHE C C 7.451 -10.402 -9.316 1.00 . A A . 37 PHE C 1 1 13 7631 1 1 37 PHE CA C 7.863 -9.220 -10.193 1.00 . A A . 37 PHE CA 1 1 13 7632 1 1 37 PHE CB C 7.175 -9.291 -11.559 1.00 . A A . 37 PHE CB 1 1 13 7633 1 1 37 PHE CD1 C 4.983 -8.067 -11.243 1.00 . A A . 37 PHE CD1 1 1 13 7634 1 1 37 PHE CD2 C 4.937 -10.476 -11.601 1.00 . A A . 37 PHE CD2 1 1 13 7635 1 1 37 PHE CE1 C 3.580 -8.054 -11.154 1.00 . A A . 37 PHE CE1 1 1 13 7636 1 1 37 PHE CE2 C 3.534 -10.462 -11.512 1.00 . A A . 37 PHE CE2 1 1 13 7637 1 1 37 PHE CG C 5.663 -9.278 -11.468 1.00 . A A . 37 PHE CG 1 1 13 7638 1 1 37 PHE CZ C 2.856 -9.251 -11.288 1.00 . A A . 37 PHE CZ 1 1 13 7639 1 1 37 PHE H H 9.669 -9.363 -11.313 1.00 . A A . 37 PHE H 1 1 13 7640 1 1 37 PHE HA H 7.575 -8.292 -9.698 1.00 . A A . 37 PHE HA 1 1 13 7641 1 1 37 PHE HB2 H 7.494 -8.436 -12.156 1.00 . A A . 37 PHE HB2 1 1 13 7642 1 1 37 PHE HB3 H 7.488 -10.205 -12.064 1.00 . A A . 37 PHE HB3 1 1 13 7643 1 1 37 PHE HD1 H 5.539 -7.147 -11.138 1.00 . A A . 37 PHE HD1 1 1 13 7644 1 1 37 PHE HD2 H 5.456 -11.408 -11.771 1.00 . A A . 37 PHE HD2 1 1 13 7645 1 1 37 PHE HE1 H 3.060 -7.124 -10.980 1.00 . A A . 37 PHE HE1 1 1 13 7646 1 1 37 PHE HE2 H 2.977 -11.381 -11.614 1.00 . A A . 37 PHE HE2 1 1 13 7647 1 1 37 PHE HZ H 1.779 -9.240 -11.219 1.00 . A A . 37 PHE HZ 1 1 13 7648 1 1 37 PHE N N 9.308 -9.230 -10.380 1.00 . A A . 37 PHE N 1 1 13 7649 1 1 37 PHE O O 6.634 -10.251 -8.411 1.00 . A A . 37 PHE O 1 1 13 7650 1 1 38 GLY C C 8.868 -13.784 -9.054 1.00 . A A . 38 GLY C 1 1 13 7651 1 1 38 GLY CA C 7.743 -12.781 -8.839 1.00 . A A . 38 GLY CA 1 1 13 7652 1 1 38 GLY H H 8.689 -11.640 -10.352 1.00 . A A . 38 GLY H 1 1 13 7653 1 1 38 GLY HA2 H 7.668 -12.539 -7.778 1.00 . A A . 38 GLY HA2 1 1 13 7654 1 1 38 GLY HA3 H 6.802 -13.211 -9.183 1.00 . A A . 38 GLY HA3 1 1 13 7655 1 1 38 GLY N N 8.026 -11.575 -9.593 1.00 . A A . 38 GLY N 1 1 13 7656 1 1 38 GLY O O 9.327 -14.335 -8.028 1.00 . A A . 38 GLY O 1 1 13 7657 1 1 38 GLY OXT O 9.470 -13.711 -10.153 1.00 . A A . 38 GLY OXT 1 1 14 7658 1 1 1 MET C C -16.594 6.815 12.269 1.00 . A A . 1 MET C 1 1 14 7659 1 1 1 MET CA C -17.792 6.194 11.556 1.00 . A A . 1 MET CA 1 1 14 7660 1 1 1 MET CB C -19.094 6.396 12.349 1.00 . A A . 1 MET CB 1 1 14 7661 1 1 1 MET CE C -19.473 8.288 15.090 1.00 . A A . 1 MET CE 1 1 14 7662 1 1 1 MET CG C -19.494 7.880 12.351 1.00 . A A . 1 MET CG 1 1 14 7663 1 1 1 MET H1 H -16.623 4.635 10.916 1.00 . A A . 1 MET H1 1 1 14 7664 1 1 1 MET H2 H -17.575 4.268 12.214 1.00 . A A . 1 MET H2 1 1 14 7665 1 1 1 MET H3 H -18.245 4.384 10.713 1.00 . A A . 1 MET H3 1 1 14 7666 1 1 1 MET HA H -17.901 6.676 10.583 1.00 . A A . 1 MET HA 1 1 14 7667 1 1 1 MET HB2 H -19.890 5.815 11.879 1.00 . A A . 1 MET HB2 1 1 14 7668 1 1 1 MET HB3 H -18.959 6.051 13.373 1.00 . A A . 1 MET HB3 1 1 14 7669 1 1 1 MET HE1 H -20.549 8.431 14.993 1.00 . A A . 1 MET HE1 1 1 14 7670 1 1 1 MET HE2 H -19.258 7.229 15.224 1.00 . A A . 1 MET HE2 1 1 14 7671 1 1 1 MET HE3 H -19.110 8.843 15.954 1.00 . A A . 1 MET HE3 1 1 14 7672 1 1 1 MET HG2 H -19.284 8.297 11.367 1.00 . A A . 1 MET HG2 1 1 14 7673 1 1 1 MET HG3 H -20.568 7.946 12.532 1.00 . A A . 1 MET HG3 1 1 14 7674 1 1 1 MET N N -17.541 4.758 11.332 1.00 . A A . 1 MET N 1 1 14 7675 1 1 1 MET O O -15.843 7.573 11.663 1.00 . A A . 1 MET O 1 1 14 7676 1 1 1 MET SD S -18.646 8.892 13.596 1.00 . A A . 1 MET SD 1 1 14 7677 1 1 2 SER C C -13.991 6.418 13.671 1.00 . A A . 2 SER C 1 1 14 7678 1 1 2 SER CA C -15.263 6.964 14.313 1.00 . A A . 2 SER CA 1 1 14 7679 1 1 2 SER CB C -15.385 6.505 15.765 1.00 . A A . 2 SER CB 1 1 14 7680 1 1 2 SER H H -17.063 5.870 14.018 1.00 . A A . 2 SER H 1 1 14 7681 1 1 2 SER HA H -15.244 8.055 14.281 1.00 . A A . 2 SER HA 1 1 14 7682 1 1 2 SER HB2 H -15.261 5.422 15.818 1.00 . A A . 2 SER HB2 1 1 14 7683 1 1 2 SER HB3 H -14.612 6.987 16.366 1.00 . A A . 2 SER HB3 1 1 14 7684 1 1 2 SER HG H -16.762 7.808 16.193 1.00 . A A . 2 SER HG 1 1 14 7685 1 1 2 SER N N -16.406 6.481 13.555 1.00 . A A . 2 SER N 1 1 14 7686 1 1 2 SER O O -12.980 7.111 13.595 1.00 . A A . 2 SER O 1 1 14 7687 1 1 2 SER OG O -16.657 6.857 16.267 1.00 . A A . 2 SER OG 1 1 14 7688 1 1 3 ASP C C -13.470 4.087 11.123 1.00 . A A . 3 ASP C 1 1 14 7689 1 1 3 ASP CA C -12.981 4.501 12.512 1.00 . A A . 3 ASP CA 1 1 14 7690 1 1 3 ASP CB C -12.537 3.284 13.327 1.00 . A A . 3 ASP CB 1 1 14 7691 1 1 3 ASP CG C -11.401 2.546 12.632 1.00 . A A . 3 ASP CG 1 1 14 7692 1 1 3 ASP H H -14.931 4.653 13.316 1.00 . A A . 3 ASP H 1 1 14 7693 1 1 3 ASP HA H -12.141 5.189 12.405 1.00 . A A . 3 ASP HA 1 1 14 7694 1 1 3 ASP HB2 H -12.200 3.614 14.310 1.00 . A A . 3 ASP HB2 1 1 14 7695 1 1 3 ASP HB3 H -13.383 2.606 13.449 1.00 . A A . 3 ASP HB3 1 1 14 7696 1 1 3 ASP N N -14.071 5.165 13.200 1.00 . A A . 3 ASP N 1 1 14 7697 1 1 3 ASP O O -14.685 3.990 10.895 1.00 . A A . 3 ASP O 1 1 14 7698 1 1 3 ASP OD1 O -10.267 3.061 12.695 1.00 . A A . 3 ASP OD1 1 1 14 7699 1 1 3 ASP OD2 O -11.691 1.481 12.045 1.00 . A A . 3 ASP OD2 1 1 14 7700 1 1 4 ASP C C -11.872 2.373 8.355 1.00 . A A . 4 ASP C 1 1 14 7701 1 1 4 ASP CA C -12.859 3.444 8.836 1.00 . A A . 4 ASP CA 1 1 14 7702 1 1 4 ASP CB C -12.828 4.683 7.924 1.00 . A A . 4 ASP CB 1 1 14 7703 1 1 4 ASP CG C -11.508 5.446 8.045 1.00 . A A . 4 ASP CG 1 1 14 7704 1 1 4 ASP H H -11.556 3.945 10.445 1.00 . A A . 4 ASP H 1 1 14 7705 1 1 4 ASP HA H -13.864 3.022 8.818 1.00 . A A . 4 ASP HA 1 1 14 7706 1 1 4 ASP HB2 H -12.965 4.370 6.889 1.00 . A A . 4 ASP HB2 1 1 14 7707 1 1 4 ASP HB3 H -13.647 5.347 8.203 1.00 . A A . 4 ASP HB3 1 1 14 7708 1 1 4 ASP N N -12.532 3.846 10.199 1.00 . A A . 4 ASP N 1 1 14 7709 1 1 4 ASP O O -11.589 2.280 7.159 1.00 . A A . 4 ASP O 1 1 14 7710 1 1 4 ASP OD1 O -10.465 4.774 8.212 1.00 . A A . 4 ASP OD1 1 1 14 7711 1 1 4 ASP OD2 O -11.564 6.688 7.966 1.00 . A A . 4 ASP OD2 1 1 14 7712 1 1 5 LYS C C -9.265 1.051 8.110 1.00 . A A . 5 LYS C 1 1 14 7713 1 1 5 LYS CA C -10.394 0.511 9.002 1.00 . A A . 5 LYS CA 1 1 14 7714 1 1 5 LYS CB C -11.119 -0.663 8.331 1.00 . A A . 5 LYS CB 1 1 14 7715 1 1 5 LYS CD C -10.676 -2.960 7.371 1.00 . A A . 5 LYS CD 1 1 14 7716 1 1 5 LYS CE C -10.383 -2.464 5.944 1.00 . A A . 5 LYS CE 1 1 14 7717 1 1 5 LYS CG C -10.245 -1.922 8.422 1.00 . A A . 5 LYS CG 1 1 14 7718 1 1 5 LYS H H -11.632 1.693 10.267 1.00 . A A . 5 LYS H 1 1 14 7719 1 1 5 LYS HA H -9.965 0.159 9.940 1.00 . A A . 5 LYS HA 1 1 14 7720 1 1 5 LYS HB2 H -12.066 -0.845 8.841 1.00 . A A . 5 LYS HB2 1 1 14 7721 1 1 5 LYS HB3 H -11.317 -0.421 7.289 1.00 . A A . 5 LYS HB3 1 1 14 7722 1 1 5 LYS HD2 H -10.132 -3.889 7.545 1.00 . A A . 5 LYS HD2 1 1 14 7723 1 1 5 LYS HD3 H -11.747 -3.151 7.472 1.00 . A A . 5 LYS HD3 1 1 14 7724 1 1 5 LYS HE2 H -10.437 -3.313 5.259 1.00 . A A . 5 LYS HE2 1 1 14 7725 1 1 5 LYS HE3 H -11.133 -1.731 5.654 1.00 . A A . 5 LYS HE3 1 1 14 7726 1 1 5 LYS HG2 H -9.201 -1.656 8.269 1.00 . A A . 5 LYS HG2 1 1 14 7727 1 1 5 LYS HG3 H -10.355 -2.357 9.416 1.00 . A A . 5 LYS HG3 1 1 14 7728 1 1 5 LYS HZ1 H -8.355 -2.474 6.239 1.00 . A A . 5 LYS HZ1 1 1 14 7729 1 1 5 LYS HZ2 H -8.824 -1.689 4.869 1.00 . A A . 5 LYS HZ2 1 1 14 7730 1 1 5 LYS HZ3 H -9.035 -0.971 6.338 1.00 . A A . 5 LYS HZ3 1 1 14 7731 1 1 5 LYS N N -11.353 1.568 9.298 1.00 . A A . 5 LYS N 1 1 14 7732 1 1 5 LYS NZ N -9.044 -1.853 5.840 1.00 . A A . 5 LYS NZ 1 1 14 7733 1 1 5 LYS O O -9.192 0.706 6.928 1.00 . A A . 5 LYS O 1 1 14 7734 1 1 6 PRO C C -6.457 1.425 7.218 1.00 . A A . 6 PRO C 1 1 14 7735 1 1 6 PRO CA C -7.291 2.493 7.926 1.00 . A A . 6 PRO CA 1 1 14 7736 1 1 6 PRO CB C -6.460 3.273 8.951 1.00 . A A . 6 PRO CB 1 1 14 7737 1 1 6 PRO CD C -8.435 2.311 10.058 1.00 . A A . 6 PRO CD 1 1 14 7738 1 1 6 PRO CG C -7.228 3.222 10.278 1.00 . A A . 6 PRO CG 1 1 14 7739 1 1 6 PRO HA H -7.693 3.181 7.190 1.00 . A A . 6 PRO HA 1 1 14 7740 1 1 6 PRO HB2 H -5.481 2.810 9.072 1.00 . A A . 6 PRO HB2 1 1 14 7741 1 1 6 PRO HB3 H -6.344 4.308 8.628 1.00 . A A . 6 PRO HB3 1 1 14 7742 1 1 6 PRO HD2 H -8.369 1.442 10.712 1.00 . A A . 6 PRO HD2 1 1 14 7743 1 1 6 PRO HD3 H -9.356 2.860 10.253 1.00 . A A . 6 PRO HD3 1 1 14 7744 1 1 6 PRO HG2 H -6.591 2.815 11.063 1.00 . A A . 6 PRO HG2 1 1 14 7745 1 1 6 PRO HG3 H -7.564 4.223 10.553 1.00 . A A . 6 PRO HG3 1 1 14 7746 1 1 6 PRO N N -8.382 1.900 8.669 1.00 . A A . 6 PRO N 1 1 14 7747 1 1 6 PRO O O -5.923 0.521 7.859 1.00 . A A . 6 PRO O 1 1 14 7748 1 1 7 PHE C C -4.093 1.027 5.185 1.00 . A A . 7 PHE C 1 1 14 7749 1 1 7 PHE CA C -5.561 0.612 5.091 1.00 . A A . 7 PHE CA 1 1 14 7750 1 1 7 PHE CB C -6.046 0.637 3.632 1.00 . A A . 7 PHE CB 1 1 14 7751 1 1 7 PHE CD1 C -8.565 0.926 3.868 1.00 . A A . 7 PHE CD1 1 1 14 7752 1 1 7 PHE CD2 C -7.712 -1.080 2.781 1.00 . A A . 7 PHE CD2 1 1 14 7753 1 1 7 PHE CE1 C -9.881 0.481 3.656 1.00 . A A . 7 PHE CE1 1 1 14 7754 1 1 7 PHE CE2 C -9.033 -1.522 2.570 1.00 . A A . 7 PHE CE2 1 1 14 7755 1 1 7 PHE CG C -7.475 0.146 3.431 1.00 . A A . 7 PHE CG 1 1 14 7756 1 1 7 PHE CZ C -10.114 -0.740 3.005 1.00 . A A . 7 PHE CZ 1 1 14 7757 1 1 7 PHE H H -6.811 2.298 5.408 1.00 . A A . 7 PHE H 1 1 14 7758 1 1 7 PHE HA H -5.677 -0.397 5.490 1.00 . A A . 7 PHE HA 1 1 14 7759 1 1 7 PHE HB2 H -5.976 1.658 3.261 1.00 . A A . 7 PHE HB2 1 1 14 7760 1 1 7 PHE HB3 H -5.381 0.010 3.038 1.00 . A A . 7 PHE HB3 1 1 14 7761 1 1 7 PHE HD1 H -8.394 1.868 4.360 1.00 . A A . 7 PHE HD1 1 1 14 7762 1 1 7 PHE HD2 H -6.883 -1.682 2.439 1.00 . A A . 7 PHE HD2 1 1 14 7763 1 1 7 PHE HE1 H -10.714 1.083 3.989 1.00 . A A . 7 PHE HE1 1 1 14 7764 1 1 7 PHE HE2 H -9.216 -2.461 2.070 1.00 . A A . 7 PHE HE2 1 1 14 7765 1 1 7 PHE HZ H -11.127 -1.079 2.839 1.00 . A A . 7 PHE HZ 1 1 14 7766 1 1 7 PHE N N -6.346 1.540 5.885 1.00 . A A . 7 PHE N 1 1 14 7767 1 1 7 PHE O O -3.515 1.502 4.212 1.00 . A A . 7 PHE O 1 1 14 7768 1 1 8 LEU C C -1.185 0.264 5.903 1.00 . A A . 8 LEU C 1 1 14 7769 1 1 8 LEU CA C -2.119 1.243 6.614 1.00 . A A . 8 LEU CA 1 1 14 7770 1 1 8 LEU CB C -1.866 1.260 8.135 1.00 . A A . 8 LEU CB 1 1 14 7771 1 1 8 LEU CD1 C 0.463 2.164 7.750 1.00 . A A . 8 LEU CD1 1 1 14 7772 1 1 8 LEU CD2 C -1.413 3.744 8.273 1.00 . A A . 8 LEU CD2 1 1 14 7773 1 1 8 LEU CG C -0.841 2.344 8.531 1.00 . A A . 8 LEU CG 1 1 14 7774 1 1 8 LEU H H -4.026 0.451 7.134 1.00 . A A . 8 LEU H 1 1 14 7775 1 1 8 LEU HA H -1.960 2.240 6.212 1.00 . A A . 8 LEU HA 1 1 14 7776 1 1 8 LEU HB2 H -2.807 1.461 8.650 1.00 . A A . 8 LEU HB2 1 1 14 7777 1 1 8 LEU HB3 H -1.495 0.284 8.449 1.00 . A A . 8 LEU HB3 1 1 14 7778 1 1 8 LEU HD11 H 0.783 1.124 7.811 1.00 . A A . 8 LEU HD11 1 1 14 7779 1 1 8 LEU HD12 H 0.309 2.438 6.709 1.00 . A A . 8 LEU HD12 1 1 14 7780 1 1 8 LEU HD13 H 1.233 2.804 8.181 1.00 . A A . 8 LEU HD13 1 1 14 7781 1 1 8 LEU HD21 H -2.446 3.788 8.620 1.00 . A A . 8 LEU HD21 1 1 14 7782 1 1 8 LEU HD22 H -0.819 4.482 8.814 1.00 . A A . 8 LEU HD22 1 1 14 7783 1 1 8 LEU HD23 H -1.380 3.969 7.208 1.00 . A A . 8 LEU HD23 1 1 14 7784 1 1 8 LEU HG H -0.627 2.245 9.597 1.00 . A A . 8 LEU HG 1 1 14 7785 1 1 8 LEU N N -3.500 0.856 6.371 1.00 . A A . 8 LEU N 1 1 14 7786 1 1 8 LEU O O -1.121 -0.910 6.264 1.00 . A A . 8 LEU O 1 1 14 7787 1 1 9 CYS C C 1.585 -0.586 5.017 1.00 . A A . 9 CYS C 1 1 14 7788 1 1 9 CYS CA C 0.448 -0.094 4.121 1.00 . A A . 9 CYS CA 1 1 14 7789 1 1 9 CYS CB C 0.973 0.685 2.897 1.00 . A A . 9 CYS CB 1 1 14 7790 1 1 9 CYS H H -0.554 1.724 4.625 1.00 . A A . 9 CYS H 1 1 14 7791 1 1 9 CYS HA H -0.105 -0.962 3.762 1.00 . A A . 9 CYS HA 1 1 14 7792 1 1 9 CYS HB2 H 0.996 0.019 2.035 1.00 . A A . 9 CYS HB2 1 1 14 7793 1 1 9 CYS HB3 H 0.312 1.526 2.686 1.00 . A A . 9 CYS HB3 1 1 14 7794 1 1 9 CYS N N -0.465 0.747 4.885 1.00 . A A . 9 CYS N 1 1 14 7795 1 1 9 CYS O O 2.154 0.186 5.789 1.00 . A A . 9 CYS O 1 1 14 7796 1 1 9 CYS SG S 2.649 1.307 3.208 1.00 . A A . 9 CYS SG 1 1 14 7797 1 1 10 THR C C 4.296 -2.332 4.939 1.00 . A A . 10 THR C 1 1 14 7798 1 1 10 THR CA C 2.974 -2.480 5.689 1.00 . A A . 10 THR CA 1 1 14 7799 1 1 10 THR CB C 2.638 -3.955 5.944 1.00 . A A . 10 THR CB 1 1 14 7800 1 1 10 THR CG2 C 1.606 -4.059 7.068 1.00 . A A . 10 THR CG2 1 1 14 7801 1 1 10 THR H H 1.406 -2.468 4.263 1.00 . A A . 10 THR H 1 1 14 7802 1 1 10 THR HA H 3.053 -1.966 6.649 1.00 . A A . 10 THR HA 1 1 14 7803 1 1 10 THR HB H 3.543 -4.490 6.235 1.00 . A A . 10 THR HB 1 1 14 7804 1 1 10 THR HG1 H 1.928 -5.461 4.940 1.00 . A A . 10 THR HG1 1 1 14 7805 1 1 10 THR HG21 H 0.702 -3.517 6.786 1.00 . A A . 10 THR HG21 1 1 14 7806 1 1 10 THR HG22 H 1.360 -5.107 7.240 1.00 . A A . 10 THR HG22 1 1 14 7807 1 1 10 THR HG23 H 2.016 -3.628 7.982 1.00 . A A . 10 THR HG23 1 1 14 7808 1 1 10 THR N N 1.910 -1.877 4.907 1.00 . A A . 10 THR N 1 1 14 7809 1 1 10 THR O O 4.635 -3.165 4.099 1.00 . A A . 10 THR O 1 1 14 7810 1 1 10 THR OG1 O 2.106 -4.533 4.769 1.00 . A A . 10 THR OG1 1 1 14 7811 1 1 11 ALA C C 7.247 -0.340 5.664 1.00 . A A . 11 ALA C 1 1 14 7812 1 1 11 ALA CA C 6.328 -0.997 4.628 1.00 . A A . 11 ALA CA 1 1 14 7813 1 1 11 ALA CB C 6.120 -0.095 3.406 1.00 . A A . 11 ALA CB 1 1 14 7814 1 1 11 ALA H H 4.705 -0.612 5.946 1.00 . A A . 11 ALA H 1 1 14 7815 1 1 11 ALA HA H 6.770 -1.938 4.305 1.00 . A A . 11 ALA HA 1 1 14 7816 1 1 11 ALA HB1 H 5.398 0.682 3.645 1.00 . A A . 11 ALA HB1 1 1 14 7817 1 1 11 ALA HB2 H 7.064 0.365 3.122 1.00 . A A . 11 ALA HB2 1 1 14 7818 1 1 11 ALA HB3 H 5.744 -0.693 2.575 1.00 . A A . 11 ALA HB3 1 1 14 7819 1 1 11 ALA N N 5.040 -1.266 5.250 1.00 . A A . 11 ALA N 1 1 14 7820 1 1 11 ALA O O 6.759 0.268 6.615 1.00 . A A . 11 ALA O 1 1 14 7821 1 1 12 PRO C C 9.521 1.610 6.414 1.00 . A A . 12 PRO C 1 1 14 7822 1 1 12 PRO CA C 9.543 0.081 6.430 1.00 . A A . 12 PRO CA 1 1 14 7823 1 1 12 PRO CB C 10.900 -0.460 5.969 1.00 . A A . 12 PRO CB 1 1 14 7824 1 1 12 PRO CD C 9.186 -1.170 4.382 1.00 . A A . 12 PRO CD 1 1 14 7825 1 1 12 PRO CG C 10.688 -0.951 4.536 1.00 . A A . 12 PRO CG 1 1 14 7826 1 1 12 PRO HA H 9.327 -0.279 7.437 1.00 . A A . 12 PRO HA 1 1 14 7827 1 1 12 PRO HB2 H 11.659 0.323 5.996 1.00 . A A . 12 PRO HB2 1 1 14 7828 1 1 12 PRO HB3 H 11.200 -1.294 6.605 1.00 . A A . 12 PRO HB3 1 1 14 7829 1 1 12 PRO HD2 H 8.844 -0.761 3.433 1.00 . A A . 12 PRO HD2 1 1 14 7830 1 1 12 PRO HD3 H 8.957 -2.234 4.438 1.00 . A A . 12 PRO HD3 1 1 14 7831 1 1 12 PRO HG2 H 11.021 -0.187 3.832 1.00 . A A . 12 PRO HG2 1 1 14 7832 1 1 12 PRO HG3 H 11.229 -1.882 4.367 1.00 . A A . 12 PRO HG3 1 1 14 7833 1 1 12 PRO N N 8.578 -0.467 5.495 1.00 . A A . 12 PRO N 1 1 14 7834 1 1 12 PRO O O 9.022 2.234 7.347 1.00 . A A . 12 PRO O 1 1 14 7835 1 1 13 GLY C C 8.908 4.251 4.599 1.00 . A A . 13 GLY C 1 1 14 7836 1 1 13 GLY CA C 10.163 3.662 5.239 1.00 . A A . 13 GLY CA 1 1 14 7837 1 1 13 GLY H H 10.454 1.653 4.604 1.00 . A A . 13 GLY H 1 1 14 7838 1 1 13 GLY HA2 H 10.293 4.094 6.231 1.00 . A A . 13 GLY HA2 1 1 14 7839 1 1 13 GLY HA3 H 11.028 3.916 4.626 1.00 . A A . 13 GLY HA3 1 1 14 7840 1 1 13 GLY N N 10.073 2.213 5.352 1.00 . A A . 13 GLY N 1 1 14 7841 1 1 13 GLY O O 8.985 5.277 3.927 1.00 . A A . 13 GLY O 1 1 14 7842 1 1 14 CYS C C 5.309 3.515 4.993 1.00 . A A . 14 CYS C 1 1 14 7843 1 1 14 CYS CA C 6.498 4.123 4.253 1.00 . A A . 14 CYS CA 1 1 14 7844 1 1 14 CYS CB C 6.427 3.798 2.762 1.00 . A A . 14 CYS CB 1 1 14 7845 1 1 14 CYS H H 7.730 2.761 5.348 1.00 . A A . 14 CYS H 1 1 14 7846 1 1 14 CYS HA H 6.474 5.205 4.377 1.00 . A A . 14 CYS HA 1 1 14 7847 1 1 14 CYS HB2 H 7.295 4.213 2.250 1.00 . A A . 14 CYS HB2 1 1 14 7848 1 1 14 CYS HB3 H 6.403 2.719 2.623 1.00 . A A . 14 CYS HB3 1 1 14 7849 1 1 14 CYS N N 7.749 3.615 4.800 1.00 . A A . 14 CYS N 1 1 14 7850 1 1 14 CYS O O 5.327 2.340 5.334 1.00 . A A . 14 CYS O 1 1 14 7851 1 1 14 CYS SG S 4.920 4.533 2.081 1.00 . A A . 14 CYS SG 1 1 14 7852 1 1 15 GLY C C 1.871 4.689 5.441 1.00 . A A . 15 GLY C 1 1 14 7853 1 1 15 GLY CA C 3.070 3.877 5.920 1.00 . A A . 15 GLY CA 1 1 14 7854 1 1 15 GLY H H 4.315 5.290 4.934 1.00 . A A . 15 GLY H 1 1 14 7855 1 1 15 GLY HA2 H 2.899 2.822 5.708 1.00 . A A . 15 GLY HA2 1 1 14 7856 1 1 15 GLY HA3 H 3.194 4.015 6.994 1.00 . A A . 15 GLY HA3 1 1 14 7857 1 1 15 GLY N N 4.273 4.328 5.234 1.00 . A A . 15 GLY N 1 1 14 7858 1 1 15 GLY O O 1.213 5.356 6.234 1.00 . A A . 15 GLY O 1 1 14 7859 1 1 16 GLN C C -0.837 4.708 3.849 1.00 . A A . 16 GLN C 1 1 14 7860 1 1 16 GLN CA C 0.497 5.381 3.539 1.00 . A A . 16 GLN CA 1 1 14 7861 1 1 16 GLN CB C 0.707 5.473 2.025 1.00 . A A . 16 GLN CB 1 1 14 7862 1 1 16 GLN CD C 1.327 7.860 1.516 1.00 . A A . 16 GLN CD 1 1 14 7863 1 1 16 GLN CG C 1.850 6.442 1.705 1.00 . A A . 16 GLN CG 1 1 14 7864 1 1 16 GLN H H 2.164 4.066 3.524 1.00 . A A . 16 GLN H 1 1 14 7865 1 1 16 GLN HA H 0.486 6.386 3.956 1.00 . A A . 16 GLN HA 1 1 14 7866 1 1 16 GLN HB2 H 0.952 4.486 1.637 1.00 . A A . 16 GLN HB2 1 1 14 7867 1 1 16 GLN HB3 H -0.209 5.828 1.552 1.00 . A A . 16 GLN HB3 1 1 14 7868 1 1 16 GLN HE21 H 0.884 9.558 2.536 1.00 . A A . 16 GLN HE21 1 1 14 7869 1 1 16 GLN HE22 H 1.506 8.240 3.502 1.00 . A A . 16 GLN HE22 1 1 14 7870 1 1 16 GLN HG2 H 2.576 6.430 2.517 1.00 . A A . 16 GLN HG2 1 1 14 7871 1 1 16 GLN HG3 H 2.339 6.124 0.786 1.00 . A A . 16 GLN HG3 1 1 14 7872 1 1 16 GLN N N 1.596 4.635 4.131 1.00 . A A . 16 GLN N 1 1 14 7873 1 1 16 GLN NE2 N 1.232 8.613 2.607 1.00 . A A . 16 GLN NE2 1 1 14 7874 1 1 16 GLN O O -0.883 3.513 4.146 1.00 . A A . 16 GLN O 1 1 14 7875 1 1 16 GLN OE1 O 1.015 8.263 0.401 1.00 . A A . 16 GLN OE1 1 1 14 7876 1 1 17 ARG C C -4.091 5.247 2.741 1.00 . A A . 17 ARG C 1 1 14 7877 1 1 17 ARG CA C -3.274 5.020 4.003 1.00 . A A . 17 ARG CA 1 1 14 7878 1 1 17 ARG CB C -3.886 5.773 5.193 1.00 . A A . 17 ARG CB 1 1 14 7879 1 1 17 ARG CD C -6.380 6.056 4.868 1.00 . A A . 17 ARG CD 1 1 14 7880 1 1 17 ARG CG C -5.278 5.211 5.530 1.00 . A A . 17 ARG CG 1 1 14 7881 1 1 17 ARG CZ C -8.512 5.178 5.799 1.00 . A A . 17 ARG CZ 1 1 14 7882 1 1 17 ARG H H -1.798 6.463 3.514 1.00 . A A . 17 ARG H 1 1 14 7883 1 1 17 ARG HA H -3.251 3.956 4.227 1.00 . A A . 17 ARG HA 1 1 14 7884 1 1 17 ARG HB2 H -3.237 5.649 6.057 1.00 . A A . 17 ARG HB2 1 1 14 7885 1 1 17 ARG HB3 H -3.967 6.834 4.954 1.00 . A A . 17 ARG HB3 1 1 14 7886 1 1 17 ARG HD2 H -6.539 6.965 5.450 1.00 . A A . 17 ARG HD2 1 1 14 7887 1 1 17 ARG HD3 H -6.073 6.333 3.860 1.00 . A A . 17 ARG HD3 1 1 14 7888 1 1 17 ARG HE H -7.846 4.841 3.904 1.00 . A A . 17 ARG HE 1 1 14 7889 1 1 17 ARG HG2 H -5.348 4.181 5.178 1.00 . A A . 17 ARG HG2 1 1 14 7890 1 1 17 ARG HG3 H -5.418 5.227 6.610 1.00 . A A . 17 ARG HG3 1 1 14 7891 1 1 17 ARG HH11 H -7.521 6.435 7.065 1.00 . A A . 17 ARG HH11 1 1 14 7892 1 1 17 ARG HH12 H -8.998 5.736 7.704 1.00 . A A . 17 ARG HH12 1 1 14 7893 1 1 17 ARG HH21 H -9.764 3.926 4.783 1.00 . A A . 17 ARG HH21 1 1 14 7894 1 1 17 ARG HH22 H -10.205 4.238 6.453 1.00 . A A . 17 ARG HH22 1 1 14 7895 1 1 17 ARG N N -1.919 5.494 3.764 1.00 . A A . 17 ARG N 1 1 14 7896 1 1 17 ARG NE N -7.639 5.299 4.783 1.00 . A A . 17 ARG NE 1 1 14 7897 1 1 17 ARG NH1 N -8.324 5.839 6.947 1.00 . A A . 17 ARG NH1 1 1 14 7898 1 1 17 ARG NH2 N -9.579 4.383 5.664 1.00 . A A . 17 ARG NH2 1 1 14 7899 1 1 17 ARG O O -3.826 6.189 1.994 1.00 . A A . 17 ARG O 1 1 14 7900 1 1 18 PHE C C -7.349 4.089 1.659 1.00 . A A . 18 PHE C 1 1 14 7901 1 1 18 PHE CA C -5.920 4.482 1.321 1.00 . A A . 18 PHE CA 1 1 14 7902 1 1 18 PHE CB C -5.363 3.569 0.232 1.00 . A A . 18 PHE CB 1 1 14 7903 1 1 18 PHE CD1 C -2.897 3.246 0.652 1.00 . A A . 18 PHE CD1 1 1 14 7904 1 1 18 PHE CD2 C -3.583 4.739 -1.140 1.00 . A A . 18 PHE CD2 1 1 14 7905 1 1 18 PHE CE1 C -1.551 3.515 0.367 1.00 . A A . 18 PHE CE1 1 1 14 7906 1 1 18 PHE CE2 C -2.234 5.014 -1.423 1.00 . A A . 18 PHE CE2 1 1 14 7907 1 1 18 PHE CG C -3.913 3.853 -0.098 1.00 . A A . 18 PHE CG 1 1 14 7908 1 1 18 PHE CZ C -1.219 4.403 -0.667 1.00 . A A . 18 PHE CZ 1 1 14 7909 1 1 18 PHE H H -5.254 3.636 3.159 1.00 . A A . 18 PHE H 1 1 14 7910 1 1 18 PHE HA H -5.914 5.511 0.959 1.00 . A A . 18 PHE HA 1 1 14 7911 1 1 18 PHE HB2 H -5.450 2.533 0.569 1.00 . A A . 18 PHE HB2 1 1 14 7912 1 1 18 PHE HB3 H -5.960 3.697 -0.668 1.00 . A A . 18 PHE HB3 1 1 14 7913 1 1 18 PHE HD1 H -3.152 2.579 1.456 1.00 . A A . 18 PHE HD1 1 1 14 7914 1 1 18 PHE HD2 H -4.363 5.213 -1.716 1.00 . A A . 18 PHE HD2 1 1 14 7915 1 1 18 PHE HE1 H -0.773 3.045 0.948 1.00 . A A . 18 PHE HE1 1 1 14 7916 1 1 18 PHE HE2 H -1.977 5.698 -2.219 1.00 . A A . 18 PHE HE2 1 1 14 7917 1 1 18 PHE HZ H -0.184 4.620 -0.878 1.00 . A A . 18 PHE HZ 1 1 14 7918 1 1 18 PHE N N -5.080 4.384 2.504 1.00 . A A . 18 PHE N 1 1 14 7919 1 1 18 PHE O O -7.610 3.511 2.709 1.00 . A A . 18 PHE O 1 1 14 7920 1 1 19 THR C C -9.955 2.632 0.563 1.00 . A A . 19 THR C 1 1 14 7921 1 1 19 THR CA C -9.680 4.093 0.928 1.00 . A A . 19 THR CA 1 1 14 7922 1 1 19 THR CB C -10.502 5.024 0.031 1.00 . A A . 19 THR CB 1 1 14 7923 1 1 19 THR CG2 C -10.577 6.416 0.659 1.00 . A A . 19 THR CG2 1 1 14 7924 1 1 19 THR H H -7.995 4.892 -0.083 1.00 . A A . 19 THR H 1 1 14 7925 1 1 19 THR HA H -9.963 4.259 1.969 1.00 . A A . 19 THR HA 1 1 14 7926 1 1 19 THR HB H -11.511 4.623 -0.080 1.00 . A A . 19 THR HB 1 1 14 7927 1 1 19 THR HG1 H -10.511 5.515 -1.852 1.00 . A A . 19 THR HG1 1 1 14 7928 1 1 19 THR HG21 H -9.571 6.819 0.775 1.00 . A A . 19 THR HG21 1 1 14 7929 1 1 19 THR HG22 H -11.159 7.074 0.014 1.00 . A A . 19 THR HG22 1 1 14 7930 1 1 19 THR HG23 H -11.057 6.350 1.637 1.00 . A A . 19 THR HG23 1 1 14 7931 1 1 19 THR N N -8.272 4.409 0.757 1.00 . A A . 19 THR N 1 1 14 7932 1 1 19 THR O O -10.910 2.045 1.067 1.00 . A A . 19 THR O 1 1 14 7933 1 1 19 THR OG1 O -9.888 5.115 -1.239 1.00 . A A . 19 THR OG1 1 1 14 7934 1 1 20 ASN C C -8.008 -0.094 -0.732 1.00 . A A . 20 ASN C 1 1 14 7935 1 1 20 ASN CA C -9.317 0.681 -0.786 1.00 . A A . 20 ASN CA 1 1 14 7936 1 1 20 ASN CB C -9.838 0.711 -2.225 1.00 . A A . 20 ASN CB 1 1 14 7937 1 1 20 ASN CG C -11.213 1.360 -2.303 1.00 . A A . 20 ASN CG 1 1 14 7938 1 1 20 ASN H H -8.346 2.573 -0.693 1.00 . A A . 20 ASN H 1 1 14 7939 1 1 20 ASN HA H -10.052 0.182 -0.152 1.00 . A A . 20 ASN HA 1 1 14 7940 1 1 20 ASN HB2 H -9.142 1.275 -2.847 1.00 . A A . 20 ASN HB2 1 1 14 7941 1 1 20 ASN HB3 H -9.905 -0.309 -2.602 1.00 . A A . 20 ASN HB3 1 1 14 7942 1 1 20 ASN HD21 H -12.111 -0.461 -2.292 1.00 . A A . 20 ASN HD21 1 1 14 7943 1 1 20 ASN HD22 H -13.193 0.913 -2.336 1.00 . A A . 20 ASN HD22 1 1 14 7944 1 1 20 ASN N N -9.126 2.051 -0.322 1.00 . A A . 20 ASN N 1 1 14 7945 1 1 20 ASN ND2 N -12.258 0.537 -2.311 1.00 . A A . 20 ASN ND2 1 1 14 7946 1 1 20 ASN O O -6.928 0.491 -0.840 1.00 . A A . 20 ASN O 1 1 14 7947 1 1 20 ASN OD1 O -11.328 2.582 -2.354 1.00 . A A . 20 ASN OD1 1 1 14 7948 1 1 21 GLU C C -6.341 -2.360 -1.966 1.00 . A A . 21 GLU C 1 1 14 7949 1 1 21 GLU CA C -6.947 -2.294 -0.565 1.00 . A A . 21 GLU CA 1 1 14 7950 1 1 21 GLU CB C -7.337 -3.692 -0.063 1.00 . A A . 21 GLU CB 1 1 14 7951 1 1 21 GLU CD C -9.014 -5.548 -0.297 1.00 . A A . 21 GLU CD 1 1 14 7952 1 1 21 GLU CG C -8.408 -4.320 -0.965 1.00 . A A . 21 GLU CG 1 1 14 7953 1 1 21 GLU H H -9.024 -1.841 -0.481 1.00 . A A . 21 GLU H 1 1 14 7954 1 1 21 GLU HA H -6.207 -1.876 0.113 1.00 . A A . 21 GLU HA 1 1 14 7955 1 1 21 GLU HB2 H -6.454 -4.331 -0.059 1.00 . A A . 21 GLU HB2 1 1 14 7956 1 1 21 GLU HB3 H -7.724 -3.614 0.951 1.00 . A A . 21 GLU HB3 1 1 14 7957 1 1 21 GLU HG2 H -9.198 -3.598 -1.157 1.00 . A A . 21 GLU HG2 1 1 14 7958 1 1 21 GLU HG3 H -7.956 -4.615 -1.913 1.00 . A A . 21 GLU HG3 1 1 14 7959 1 1 21 GLU N N -8.112 -1.422 -0.580 1.00 . A A . 21 GLU N 1 1 14 7960 1 1 21 GLU O O -5.153 -2.625 -2.111 1.00 . A A . 21 GLU O 1 1 14 7961 1 1 21 GLU OE1 O -9.777 -5.344 0.673 1.00 . A A . 21 GLU OE1 1 1 14 7962 1 1 21 GLU OE2 O -8.700 -6.664 -0.764 1.00 . A A . 21 GLU OE2 1 1 14 7963 1 1 22 ASP C C -5.564 -1.055 -4.502 1.00 . A A . 22 ASP C 1 1 14 7964 1 1 22 ASP CA C -6.690 -2.079 -4.372 1.00 . A A . 22 ASP CA 1 1 14 7965 1 1 22 ASP CB C -7.855 -1.705 -5.289 1.00 . A A . 22 ASP CB 1 1 14 7966 1 1 22 ASP CG C -9.041 -2.639 -5.084 1.00 . A A . 22 ASP CG 1 1 14 7967 1 1 22 ASP H H -8.135 -1.909 -2.822 1.00 . A A . 22 ASP H 1 1 14 7968 1 1 22 ASP HA H -6.317 -3.066 -4.645 1.00 . A A . 22 ASP HA 1 1 14 7969 1 1 22 ASP HB2 H -8.166 -0.682 -5.071 1.00 . A A . 22 ASP HB2 1 1 14 7970 1 1 22 ASP HB3 H -7.527 -1.764 -6.326 1.00 . A A . 22 ASP HB3 1 1 14 7971 1 1 22 ASP N N -7.157 -2.102 -2.996 1.00 . A A . 22 ASP N 1 1 14 7972 1 1 22 ASP O O -4.544 -1.316 -5.141 1.00 . A A . 22 ASP O 1 1 14 7973 1 1 22 ASP OD1 O -9.764 -2.423 -4.085 1.00 . A A . 22 ASP OD1 1 1 14 7974 1 1 22 ASP OD2 O -9.200 -3.548 -5.925 1.00 . A A . 22 ASP OD2 1 1 14 7975 1 1 23 HIS C C -3.547 0.754 -3.094 1.00 . A A . 23 HIS C 1 1 14 7976 1 1 23 HIS CA C -4.766 1.175 -3.912 1.00 . A A . 23 HIS CA 1 1 14 7977 1 1 23 HIS CB C -5.378 2.458 -3.349 1.00 . A A . 23 HIS CB 1 1 14 7978 1 1 23 HIS CD2 C -7.156 2.612 -5.292 1.00 . A A . 23 HIS CD2 1 1 14 7979 1 1 23 HIS CE1 C -8.665 3.731 -4.283 1.00 . A A . 23 HIS CE1 1 1 14 7980 1 1 23 HIS CG C -6.669 2.843 -4.029 1.00 . A A . 23 HIS CG 1 1 14 7981 1 1 23 HIS H H -6.615 0.271 -3.370 1.00 . A A . 23 HIS H 1 1 14 7982 1 1 23 HIS HA H -4.459 1.347 -4.945 1.00 . A A . 23 HIS HA 1 1 14 7983 1 1 23 HIS HB2 H -5.573 2.313 -2.289 1.00 . A A . 23 HIS HB2 1 1 14 7984 1 1 23 HIS HB3 H -4.663 3.272 -3.467 1.00 . A A . 23 HIS HB3 1 1 14 7985 1 1 23 HIS HD1 H -7.648 3.917 -2.443 1.00 . A A . 23 HIS HD1 1 1 14 7986 1 1 23 HIS HD2 H -6.625 2.065 -6.057 1.00 . A A . 23 HIS HD2 1 1 14 7987 1 1 23 HIS HE1 H -9.578 4.263 -4.062 1.00 . A A . 23 HIS HE1 1 1 14 7988 1 1 23 HIS N N -5.757 0.114 -3.883 1.00 . A A . 23 HIS N 1 1 14 7989 1 1 23 HIS ND1 N -7.667 3.573 -3.391 1.00 . A A . 23 HIS ND1 1 1 14 7990 1 1 23 HIS NE2 N -8.415 3.167 -5.466 1.00 . A A . 23 HIS NE2 1 1 14 7991 1 1 23 HIS O O -2.421 1.139 -3.402 1.00 . A A . 23 HIS O 1 1 14 7992 1 1 24 LEU C C -1.879 -1.566 -1.986 1.00 . A A . 24 LEU C 1 1 14 7993 1 1 24 LEU CA C -2.711 -0.546 -1.209 1.00 . A A . 24 LEU CA 1 1 14 7994 1 1 24 LEU CB C -3.316 -1.193 0.039 1.00 . A A . 24 LEU CB 1 1 14 7995 1 1 24 LEU CD1 C -2.267 0.162 1.849 1.00 . A A . 24 LEU CD1 1 1 14 7996 1 1 24 LEU CD2 C -2.680 -2.264 2.211 1.00 . A A . 24 LEU CD2 1 1 14 7997 1 1 24 LEU CG C -2.287 -1.203 1.179 1.00 . A A . 24 LEU CG 1 1 14 7998 1 1 24 LEU H H -4.728 -0.328 -1.840 1.00 . A A . 24 LEU H 1 1 14 7999 1 1 24 LEU HA H -2.074 0.286 -0.912 1.00 . A A . 24 LEU HA 1 1 14 8000 1 1 24 LEU HB2 H -4.194 -0.629 0.350 1.00 . A A . 24 LEU HB2 1 1 14 8001 1 1 24 LEU HB3 H -3.612 -2.214 -0.194 1.00 . A A . 24 LEU HB3 1 1 14 8002 1 1 24 LEU HD11 H -3.287 0.524 1.959 1.00 . A A . 24 LEU HD11 1 1 14 8003 1 1 24 LEU HD12 H -1.809 0.079 2.827 1.00 . A A . 24 LEU HD12 1 1 14 8004 1 1 24 LEU HD13 H -1.696 0.857 1.238 1.00 . A A . 24 LEU HD13 1 1 14 8005 1 1 24 LEU HD21 H -2.718 -3.243 1.732 1.00 . A A . 24 LEU HD21 1 1 14 8006 1 1 24 LEU HD22 H -1.943 -2.282 3.014 1.00 . A A . 24 LEU HD22 1 1 14 8007 1 1 24 LEU HD23 H -3.660 -2.023 2.625 1.00 . A A . 24 LEU HD23 1 1 14 8008 1 1 24 LEU HG H -1.290 -1.425 0.784 1.00 . A A . 24 LEU HG 1 1 14 8009 1 1 24 LEU N N -3.779 -0.048 -2.053 1.00 . A A . 24 LEU N 1 1 14 8010 1 1 24 LEU O O -0.675 -1.658 -1.786 1.00 . A A . 24 LEU O 1 1 14 8011 1 1 25 ALA C C -0.821 -2.731 -4.567 1.00 . A A . 25 ALA C 1 1 14 8012 1 1 25 ALA CA C -1.876 -3.356 -3.659 1.00 . A A . 25 ALA CA 1 1 14 8013 1 1 25 ALA CB C -2.922 -4.108 -4.482 1.00 . A A . 25 ALA CB 1 1 14 8014 1 1 25 ALA H H -3.532 -2.205 -2.991 1.00 . A A . 25 ALA H 1 1 14 8015 1 1 25 ALA HA H -1.388 -4.061 -2.984 1.00 . A A . 25 ALA HA 1 1 14 8016 1 1 25 ALA HB1 H -3.691 -4.506 -3.820 1.00 . A A . 25 ALA HB1 1 1 14 8017 1 1 25 ALA HB2 H -3.379 -3.428 -5.200 1.00 . A A . 25 ALA HB2 1 1 14 8018 1 1 25 ALA HB3 H -2.443 -4.929 -5.016 1.00 . A A . 25 ALA HB3 1 1 14 8019 1 1 25 ALA N N -2.536 -2.332 -2.868 1.00 . A A . 25 ALA N 1 1 14 8020 1 1 25 ALA O O 0.347 -3.102 -4.498 1.00 . A A . 25 ALA O 1 1 14 8021 1 1 26 VAL C C 0.797 -0.408 -5.571 1.00 . A A . 26 VAL C 1 1 14 8022 1 1 26 VAL CA C -0.307 -1.132 -6.347 1.00 . A A . 26 VAL CA 1 1 14 8023 1 1 26 VAL CB C -1.070 -0.153 -7.261 1.00 . A A . 26 VAL CB 1 1 14 8024 1 1 26 VAL CG1 C -2.091 -0.924 -8.103 1.00 . A A . 26 VAL CG1 1 1 14 8025 1 1 26 VAL CG2 C -1.799 0.914 -6.431 1.00 . A A . 26 VAL CG2 1 1 14 8026 1 1 26 VAL H H -2.205 -1.512 -5.436 1.00 . A A . 26 VAL H 1 1 14 8027 1 1 26 VAL HA H 0.156 -1.896 -6.971 1.00 . A A . 26 VAL HA 1 1 14 8028 1 1 26 VAL HB H -0.360 0.339 -7.928 1.00 . A A . 26 VAL HB 1 1 14 8029 1 1 26 VAL HG11 H -1.584 -1.716 -8.653 1.00 . A A . 26 VAL HG11 1 1 14 8030 1 1 26 VAL HG12 H -2.847 -1.363 -7.451 1.00 . A A . 26 VAL HG12 1 1 14 8031 1 1 26 VAL HG13 H -2.570 -0.244 -8.806 1.00 . A A . 26 VAL HG13 1 1 14 8032 1 1 26 VAL HG21 H -2.477 0.432 -5.733 1.00 . A A . 26 VAL HG21 1 1 14 8033 1 1 26 VAL HG22 H -1.074 1.514 -5.879 1.00 . A A . 26 VAL HG22 1 1 14 8034 1 1 26 VAL HG23 H -2.367 1.563 -7.096 1.00 . A A . 26 VAL HG23 1 1 14 8035 1 1 26 VAL N N -1.232 -1.785 -5.421 1.00 . A A . 26 VAL N 1 1 14 8036 1 1 26 VAL O O 1.953 -0.397 -5.993 1.00 . A A . 26 VAL O 1 1 14 8037 1 1 27 HIS C C 2.417 -0.037 -3.024 1.00 . A A . 27 HIS C 1 1 14 8038 1 1 27 HIS CA C 1.380 0.925 -3.614 1.00 . A A . 27 HIS CA 1 1 14 8039 1 1 27 HIS CB C 0.601 1.650 -2.522 1.00 . A A . 27 HIS CB 1 1 14 8040 1 1 27 HIS CD2 C 1.831 2.230 -0.297 1.00 . A A . 27 HIS CD2 1 1 14 8041 1 1 27 HIS CE1 C 2.805 4.028 -0.889 1.00 . A A . 27 HIS CE1 1 1 14 8042 1 1 27 HIS CG C 1.479 2.430 -1.596 1.00 . A A . 27 HIS CG 1 1 14 8043 1 1 27 HIS H H -0.527 0.152 -4.129 1.00 . A A . 27 HIS H 1 1 14 8044 1 1 27 HIS HA H 1.893 1.663 -4.232 1.00 . A A . 27 HIS HA 1 1 14 8045 1 1 27 HIS HB2 H -0.107 2.336 -2.991 1.00 . A A . 27 HIS HB2 1 1 14 8046 1 1 27 HIS HB3 H 0.045 0.917 -1.939 1.00 . A A . 27 HIS HB3 1 1 14 8047 1 1 27 HIS HD1 H 2.085 4.052 -2.873 1.00 . A A . 27 HIS HD1 1 1 14 8048 1 1 27 HIS HD2 H 1.493 1.393 0.291 1.00 . A A . 27 HIS HD2 1 1 14 8049 1 1 27 HIS HE1 H 3.403 4.929 -0.880 1.00 . A A . 27 HIS HE1 1 1 14 8050 1 1 27 HIS N N 0.436 0.196 -4.435 1.00 . A A . 27 HIS N 1 1 14 8051 1 1 27 HIS ND1 N 2.123 3.603 -1.969 1.00 . A A . 27 HIS ND1 1 1 14 8052 1 1 27 HIS NE2 N 2.666 3.231 0.174 1.00 . A A . 27 HIS NE2 1 1 14 8053 1 1 27 HIS O O 3.609 0.262 -3.021 1.00 . A A . 27 HIS O 1 1 14 8054 1 1 28 LYS C C 3.738 -2.770 -3.083 1.00 . A A . 28 LYS C 1 1 14 8055 1 1 28 LYS CA C 2.855 -2.202 -1.978 1.00 . A A . 28 LYS CA 1 1 14 8056 1 1 28 LYS CB C 2.039 -3.317 -1.318 1.00 . A A . 28 LYS CB 1 1 14 8057 1 1 28 LYS CD C 1.040 -4.109 0.848 1.00 . A A . 28 LYS CD 1 1 14 8058 1 1 28 LYS CE C 2.068 -4.938 1.634 1.00 . A A . 28 LYS CE 1 1 14 8059 1 1 28 LYS CG C 1.729 -2.939 0.134 1.00 . A A . 28 LYS CG 1 1 14 8060 1 1 28 LYS H H 0.969 -1.391 -2.548 1.00 . A A . 28 LYS H 1 1 14 8061 1 1 28 LYS HA H 3.491 -1.735 -1.226 1.00 . A A . 28 LYS HA 1 1 14 8062 1 1 28 LYS HB2 H 1.108 -3.463 -1.865 1.00 . A A . 28 LYS HB2 1 1 14 8063 1 1 28 LYS HB3 H 2.612 -4.240 -1.337 1.00 . A A . 28 LYS HB3 1 1 14 8064 1 1 28 LYS HD2 H 0.296 -3.717 1.542 1.00 . A A . 28 LYS HD2 1 1 14 8065 1 1 28 LYS HD3 H 0.543 -4.745 0.114 1.00 . A A . 28 LYS HD3 1 1 14 8066 1 1 28 LYS HE2 H 2.674 -4.271 2.248 1.00 . A A . 28 LYS HE2 1 1 14 8067 1 1 28 LYS HE3 H 1.538 -5.633 2.285 1.00 . A A . 28 LYS HE3 1 1 14 8068 1 1 28 LYS HG2 H 2.656 -2.690 0.652 1.00 . A A . 28 LYS HG2 1 1 14 8069 1 1 28 LYS HG3 H 1.068 -2.071 0.144 1.00 . A A . 28 LYS HG3 1 1 14 8070 1 1 28 LYS HZ1 H 2.396 -6.252 0.099 1.00 . A A . 28 LYS HZ1 1 1 14 8071 1 1 28 LYS HZ2 H 3.546 -5.069 0.210 1.00 . A A . 28 LYS HZ2 1 1 14 8072 1 1 28 LYS HZ3 H 3.535 -6.322 1.286 1.00 . A A . 28 LYS HZ3 1 1 14 8073 1 1 28 LYS N N 1.962 -1.195 -2.533 1.00 . A A . 28 LYS N 1 1 14 8074 1 1 28 LYS NZ N 2.953 -5.706 0.738 1.00 . A A . 28 LYS NZ 1 1 14 8075 1 1 28 LYS O O 4.929 -2.966 -2.879 1.00 . A A . 28 LYS O 1 1 14 8076 1 1 29 HIS C C 5.132 -2.723 -5.642 1.00 . A A . 29 HIS C 1 1 14 8077 1 1 29 HIS CA C 3.892 -3.577 -5.384 1.00 . A A . 29 HIS CA 1 1 14 8078 1 1 29 HIS CB C 2.984 -3.616 -6.620 1.00 . A A . 29 HIS CB 1 1 14 8079 1 1 29 HIS CD2 C 3.020 -4.909 -8.917 1.00 . A A . 29 HIS CD2 1 1 14 8080 1 1 29 HIS CE1 C 5.082 -5.446 -8.983 1.00 . A A . 29 HIS CE1 1 1 14 8081 1 1 29 HIS CG C 3.574 -4.401 -7.768 1.00 . A A . 29 HIS CG 1 1 14 8082 1 1 29 HIS H H 2.163 -2.855 -4.373 1.00 . A A . 29 HIS H 1 1 14 8083 1 1 29 HIS HA H 4.204 -4.594 -5.143 1.00 . A A . 29 HIS HA 1 1 14 8084 1 1 29 HIS HB2 H 2.034 -4.072 -6.342 1.00 . A A . 29 HIS HB2 1 1 14 8085 1 1 29 HIS HB3 H 2.798 -2.597 -6.955 1.00 . A A . 29 HIS HB3 1 1 14 8086 1 1 29 HIS HD1 H 5.633 -4.555 -7.149 1.00 . A A . 29 HIS HD1 1 1 14 8087 1 1 29 HIS HD2 H 1.979 -4.805 -9.184 1.00 . A A . 29 HIS HD2 1 1 14 8088 1 1 29 HIS HE1 H 6.031 -5.853 -9.300 1.00 . A A . 29 HIS HE1 1 1 14 8089 1 1 29 HIS N N 3.152 -3.035 -4.257 1.00 . A A . 29 HIS N 1 1 14 8090 1 1 29 HIS ND1 N 4.917 -4.764 -7.833 1.00 . A A . 29 HIS ND1 1 1 14 8091 1 1 29 HIS NE2 N 3.960 -5.570 -9.693 1.00 . A A . 29 HIS NE2 1 1 14 8092 1 1 29 HIS O O 6.217 -3.262 -5.826 1.00 . A A . 29 HIS O 1 1 14 8093 1 1 30 LYS C C 7.183 -0.709 -4.849 1.00 . A A . 30 LYS C 1 1 14 8094 1 1 30 LYS CA C 6.071 -0.472 -5.880 1.00 . A A . 30 LYS CA 1 1 14 8095 1 1 30 LYS CB C 5.541 0.967 -5.805 1.00 . A A . 30 LYS CB 1 1 14 8096 1 1 30 LYS CD C 7.382 1.791 -7.318 1.00 . A A . 30 LYS CD 1 1 14 8097 1 1 30 LYS CE C 8.253 3.014 -7.616 1.00 . A A . 30 LYS CE 1 1 14 8098 1 1 30 LYS CG C 6.682 1.984 -5.968 1.00 . A A . 30 LYS CG 1 1 14 8099 1 1 30 LYS H H 4.044 -1.006 -5.492 1.00 . A A . 30 LYS H 1 1 14 8100 1 1 30 LYS HA H 6.471 -0.652 -6.877 1.00 . A A . 30 LYS HA 1 1 14 8101 1 1 30 LYS HB2 H 4.807 1.121 -6.597 1.00 . A A . 30 LYS HB2 1 1 14 8102 1 1 30 LYS HB3 H 5.061 1.124 -4.841 1.00 . A A . 30 LYS HB3 1 1 14 8103 1 1 30 LYS HD2 H 8.008 0.900 -7.280 1.00 . A A . 30 LYS HD2 1 1 14 8104 1 1 30 LYS HD3 H 6.634 1.677 -8.103 1.00 . A A . 30 LYS HD3 1 1 14 8105 1 1 30 LYS HE2 H 7.614 3.889 -7.736 1.00 . A A . 30 LYS HE2 1 1 14 8106 1 1 30 LYS HE3 H 8.935 3.181 -6.781 1.00 . A A . 30 LYS HE3 1 1 14 8107 1 1 30 LYS HG2 H 6.268 2.991 -5.918 1.00 . A A . 30 LYS HG2 1 1 14 8108 1 1 30 LYS HG3 H 7.404 1.855 -5.162 1.00 . A A . 30 LYS HG3 1 1 14 8109 1 1 30 LYS HZ1 H 8.422 2.593 -9.611 1.00 . A A . 30 LYS HZ1 1 1 14 8110 1 1 30 LYS HZ2 H 9.543 3.675 -9.060 1.00 . A A . 30 LYS HZ2 1 1 14 8111 1 1 30 LYS HZ3 H 9.701 2.071 -8.709 1.00 . A A . 30 LYS HZ3 1 1 14 8112 1 1 30 LYS N N 4.966 -1.394 -5.651 1.00 . A A . 30 LYS N 1 1 14 8113 1 1 30 LYS NZ N 9.038 2.821 -8.846 1.00 . A A . 30 LYS NZ 1 1 14 8114 1 1 30 LYS O O 8.361 -0.725 -5.202 1.00 . A A . 30 LYS O 1 1 14 8115 1 1 31 HIS C C 8.502 -2.443 -2.727 1.00 . A A . 31 HIS C 1 1 14 8116 1 1 31 HIS CA C 7.776 -1.117 -2.510 1.00 . A A . 31 HIS CA 1 1 14 8117 1 1 31 HIS CB C 7.064 -1.118 -1.152 1.00 . A A . 31 HIS CB 1 1 14 8118 1 1 31 HIS CD2 C 5.338 0.635 -0.210 1.00 . A A . 31 HIS CD2 1 1 14 8119 1 1 31 HIS CE1 C 6.481 2.411 -0.497 1.00 . A A . 31 HIS CE1 1 1 14 8120 1 1 31 HIS CG C 6.525 0.234 -0.772 1.00 . A A . 31 HIS CG 1 1 14 8121 1 1 31 HIS H H 5.825 -0.872 -3.335 1.00 . A A . 31 HIS H 1 1 14 8122 1 1 31 HIS HA H 8.508 -0.313 -2.524 1.00 . A A . 31 HIS HA 1 1 14 8123 1 1 31 HIS HB2 H 6.240 -1.827 -1.183 1.00 . A A . 31 HIS HB2 1 1 14 8124 1 1 31 HIS HB3 H 7.772 -1.437 -0.386 1.00 . A A . 31 HIS HB3 1 1 14 8125 1 1 31 HIS HD1 H 8.177 1.487 -1.343 1.00 . A A . 31 HIS HD1 1 1 14 8126 1 1 31 HIS HD2 H 4.532 -0.038 0.062 1.00 . A A . 31 HIS HD2 1 1 14 8127 1 1 31 HIS HE1 H 6.791 3.446 -0.511 1.00 . A A . 31 HIS HE1 1 1 14 8128 1 1 31 HIS N N 6.808 -0.891 -3.575 1.00 . A A . 31 HIS N 1 1 14 8129 1 1 31 HIS ND1 N 7.250 1.406 -0.950 1.00 . A A . 31 HIS ND1 1 1 14 8130 1 1 31 HIS NE2 N 5.300 2.009 -0.026 1.00 . A A . 31 HIS NE2 1 1 14 8131 1 1 31 HIS O O 9.731 -2.486 -2.728 1.00 . A A . 31 HIS O 1 1 14 8132 1 1 32 GLU C C 9.042 -4.970 -4.416 1.00 . A A . 32 GLU C 1 1 14 8133 1 1 32 GLU CA C 8.291 -4.853 -3.082 1.00 . A A . 32 GLU CA 1 1 14 8134 1 1 32 GLU CB C 7.156 -5.885 -3.007 1.00 . A A . 32 GLU CB 1 1 14 8135 1 1 32 GLU CD C 6.220 -5.092 -0.786 1.00 . A A . 32 GLU CD 1 1 14 8136 1 1 32 GLU CG C 6.863 -6.251 -1.542 1.00 . A A . 32 GLU CG 1 1 14 8137 1 1 32 GLU H H 6.729 -3.418 -2.903 1.00 . A A . 32 GLU H 1 1 14 8138 1 1 32 GLU HA H 8.996 -5.049 -2.272 1.00 . A A . 32 GLU HA 1 1 14 8139 1 1 32 GLU HB2 H 6.257 -5.474 -3.467 1.00 . A A . 32 GLU HB2 1 1 14 8140 1 1 32 GLU HB3 H 7.454 -6.786 -3.545 1.00 . A A . 32 GLU HB3 1 1 14 8141 1 1 32 GLU HG2 H 6.186 -7.106 -1.521 1.00 . A A . 32 GLU HG2 1 1 14 8142 1 1 32 GLU HG3 H 7.795 -6.527 -1.049 1.00 . A A . 32 GLU HG3 1 1 14 8143 1 1 32 GLU N N 7.736 -3.520 -2.902 1.00 . A A . 32 GLU N 1 1 14 8144 1 1 32 GLU O O 9.802 -5.918 -4.605 1.00 . A A . 32 GLU O 1 1 14 8145 1 1 32 GLU OE1 O 4.972 -5.013 -0.823 1.00 . A A . 32 GLU OE1 1 1 14 8146 1 1 32 GLU OE2 O 6.984 -4.312 -0.179 1.00 . A A . 32 GLU OE2 1 1 14 8147 1 1 33 MET C C 11.021 -4.044 -6.446 1.00 . A A . 33 MET C 1 1 14 8148 1 1 33 MET CA C 9.500 -4.046 -6.638 1.00 . A A . 33 MET CA 1 1 14 8149 1 1 33 MET CB C 9.046 -2.842 -7.481 1.00 . A A . 33 MET CB 1 1 14 8150 1 1 33 MET CE C 10.210 -0.662 -9.701 1.00 . A A . 33 MET CE 1 1 14 8151 1 1 33 MET CG C 9.234 -3.147 -8.970 1.00 . A A . 33 MET CG 1 1 14 8152 1 1 33 MET H H 8.201 -3.255 -5.144 1.00 . A A . 33 MET H 1 1 14 8153 1 1 33 MET HA H 9.212 -4.963 -7.154 1.00 . A A . 33 MET HA 1 1 14 8154 1 1 33 MET HB2 H 7.994 -2.643 -7.292 1.00 . A A . 33 MET HB2 1 1 14 8155 1 1 33 MET HB3 H 9.629 -1.965 -7.212 1.00 . A A . 33 MET HB3 1 1 14 8156 1 1 33 MET HE1 H 11.147 -1.180 -9.906 1.00 . A A . 33 MET HE1 1 1 14 8157 1 1 33 MET HE2 H 10.143 0.226 -10.328 1.00 . A A . 33 MET HE2 1 1 14 8158 1 1 33 MET HE3 H 10.178 -0.368 -8.653 1.00 . A A . 33 MET HE3 1 1 14 8159 1 1 33 MET HG2 H 10.270 -3.429 -9.143 1.00 . A A . 33 MET HG2 1 1 14 8160 1 1 33 MET HG3 H 8.597 -3.993 -9.231 1.00 . A A . 33 MET HG3 1 1 14 8161 1 1 33 MET N N 8.836 -4.016 -5.341 1.00 . A A . 33 MET N 1 1 14 8162 1 1 33 MET O O 11.679 -5.034 -6.754 1.00 . A A . 33 MET O 1 1 14 8163 1 1 33 MET SD S 8.819 -1.763 -10.066 1.00 . A A . 33 MET SD 1 1 14 8164 1 1 34 THR C C 13.329 -1.357 -5.228 1.00 . A A . 34 THR C 1 1 14 8165 1 1 34 THR CA C 13.008 -2.784 -5.691 1.00 . A A . 34 THR CA 1 1 14 8166 1 1 34 THR CB C 13.824 -3.129 -6.962 1.00 . A A . 34 THR CB 1 1 14 8167 1 1 34 THR CG2 C 13.248 -2.413 -8.189 1.00 . A A . 34 THR CG2 1 1 14 8168 1 1 34 THR H H 10.967 -2.151 -5.697 1.00 . A A . 34 THR H 1 1 14 8169 1 1 34 THR HA H 13.295 -3.476 -4.899 1.00 . A A . 34 THR HA 1 1 14 8170 1 1 34 THR HB H 13.801 -4.203 -7.130 1.00 . A A . 34 THR HB 1 1 14 8171 1 1 34 THR HG1 H 15.380 -2.776 -5.845 1.00 . A A . 34 THR HG1 1 1 14 8172 1 1 34 THR HG21 H 13.158 -1.349 -7.986 1.00 . A A . 34 THR HG21 1 1 14 8173 1 1 34 THR HG22 H 13.913 -2.563 -9.040 1.00 . A A . 34 THR HG22 1 1 14 8174 1 1 34 THR HG23 H 12.269 -2.820 -8.425 1.00 . A A . 34 THR HG23 1 1 14 8175 1 1 34 THR N N 11.568 -2.928 -5.933 1.00 . A A . 34 THR N 1 1 14 8176 1 1 34 THR O O 14.334 -1.150 -4.549 1.00 . A A . 34 THR O 1 1 14 8177 1 1 34 THR OG1 O 15.169 -2.725 -6.784 1.00 . A A . 34 THR OG1 1 1 14 8178 1 1 35 LEU C C 14.091 1.460 -5.760 1.00 . A A . 35 LEU C 1 1 14 8179 1 1 35 LEU CA C 12.709 1.030 -5.262 1.00 . A A . 35 LEU CA 1 1 14 8180 1 1 35 LEU CB C 12.586 1.242 -3.743 1.00 . A A . 35 LEU CB 1 1 14 8181 1 1 35 LEU CD1 C 11.151 0.944 -1.722 1.00 . A A . 35 LEU CD1 1 1 14 8182 1 1 35 LEU CD2 C 10.145 1.845 -3.827 1.00 . A A . 35 LEU CD2 1 1 14 8183 1 1 35 LEU CG C 11.179 0.869 -3.251 1.00 . A A . 35 LEU CG 1 1 14 8184 1 1 35 LEU H H 11.670 -0.605 -6.152 1.00 . A A . 35 LEU H 1 1 14 8185 1 1 35 LEU HA H 11.959 1.637 -5.766 1.00 . A A . 35 LEU HA 1 1 14 8186 1 1 35 LEU HB2 H 13.320 0.623 -3.228 1.00 . A A . 35 LEU HB2 1 1 14 8187 1 1 35 LEU HB3 H 12.779 2.290 -3.510 1.00 . A A . 35 LEU HB3 1 1 14 8188 1 1 35 LEU HD11 H 11.892 0.258 -1.311 1.00 . A A . 35 LEU HD11 1 1 14 8189 1 1 35 LEU HD12 H 11.380 1.960 -1.402 1.00 . A A . 35 LEU HD12 1 1 14 8190 1 1 35 LEU HD13 H 10.163 0.664 -1.359 1.00 . A A . 35 LEU HD13 1 1 14 8191 1 1 35 LEU HD21 H 10.504 2.868 -3.714 1.00 . A A . 35 LEU HD21 1 1 14 8192 1 1 35 LEU HD22 H 9.990 1.630 -4.883 1.00 . A A . 35 LEU HD22 1 1 14 8193 1 1 35 LEU HD23 H 9.202 1.732 -3.296 1.00 . A A . 35 LEU HD23 1 1 14 8194 1 1 35 LEU HG H 10.936 -0.145 -3.566 1.00 . A A . 35 LEU HG 1 1 14 8195 1 1 35 LEU N N 12.486 -0.376 -5.605 1.00 . A A . 35 LEU N 1 1 14 8196 1 1 35 LEU O O 14.826 2.152 -5.057 1.00 . A A . 35 LEU O 1 1 14 8197 1 1 36 LYS C C 15.673 2.769 -8.151 1.00 . A A . 36 LYS C 1 1 14 8198 1 1 36 LYS CA C 15.724 1.359 -7.571 1.00 . A A . 36 LYS CA 1 1 14 8199 1 1 36 LYS CB C 16.054 0.318 -8.649 1.00 . A A . 36 LYS CB 1 1 14 8200 1 1 36 LYS CD C 17.933 -0.725 -9.964 1.00 . A A . 36 LYS CD 1 1 14 8201 1 1 36 LYS CE C 17.182 -2.065 -9.930 1.00 . A A . 36 LYS CE 1 1 14 8202 1 1 36 LYS CG C 17.573 0.142 -8.748 1.00 . A A . 36 LYS CG 1 1 14 8203 1 1 36 LYS H H 13.795 0.481 -7.517 1.00 . A A . 36 LYS H 1 1 14 8204 1 1 36 LYS HA H 16.491 1.318 -6.796 1.00 . A A . 36 LYS HA 1 1 14 8205 1 1 36 LYS HB2 H 15.598 -0.632 -8.379 1.00 . A A . 36 LYS HB2 1 1 14 8206 1 1 36 LYS HB3 H 15.661 0.645 -9.611 1.00 . A A . 36 LYS HB3 1 1 14 8207 1 1 36 LYS HD2 H 17.668 -0.188 -10.877 1.00 . A A . 36 LYS HD2 1 1 14 8208 1 1 36 LYS HD3 H 19.008 -0.913 -9.963 1.00 . A A . 36 LYS HD3 1 1 14 8209 1 1 36 LYS HE2 H 16.124 -1.891 -10.128 1.00 . A A . 36 LYS HE2 1 1 14 8210 1 1 36 LYS HE3 H 17.582 -2.713 -10.710 1.00 . A A . 36 LYS HE3 1 1 14 8211 1 1 36 LYS HG2 H 18.041 1.122 -8.855 1.00 . A A . 36 LYS HG2 1 1 14 8212 1 1 36 LYS HG3 H 17.943 -0.332 -7.838 1.00 . A A . 36 LYS HG3 1 1 14 8213 1 1 36 LYS HZ1 H 18.300 -2.755 -8.358 1.00 . A A . 36 LYS HZ1 1 1 14 8214 1 1 36 LYS HZ2 H 16.789 -2.247 -7.925 1.00 . A A . 36 LYS HZ2 1 1 14 8215 1 1 36 LYS HZ3 H 16.986 -3.690 -8.699 1.00 . A A . 36 LYS HZ3 1 1 14 8216 1 1 36 LYS N N 14.440 1.039 -6.981 1.00 . A A . 36 LYS N 1 1 14 8217 1 1 36 LYS NZ N 17.326 -2.742 -8.626 1.00 . A A . 36 LYS NZ 1 1 14 8218 1 1 36 LYS O O 15.091 2.977 -9.215 1.00 . A A . 36 LYS O 1 1 14 8219 1 1 37 PHE C C 14.955 5.800 -7.567 1.00 . A A . 37 PHE C 1 1 14 8220 1 1 37 PHE CA C 16.314 5.141 -7.835 1.00 . A A . 37 PHE CA 1 1 14 8221 1 1 37 PHE CB C 16.722 5.290 -9.313 1.00 . A A . 37 PHE CB 1 1 14 8222 1 1 37 PHE CD1 C 19.086 4.425 -9.004 1.00 . A A . 37 PHE CD1 1 1 14 8223 1 1 37 PHE CD2 C 17.742 3.530 -10.827 1.00 . A A . 37 PHE CD2 1 1 14 8224 1 1 37 PHE CE1 C 20.155 3.596 -9.385 1.00 . A A . 37 PHE CE1 1 1 14 8225 1 1 37 PHE CE2 C 18.811 2.703 -11.208 1.00 . A A . 37 PHE CE2 1 1 14 8226 1 1 37 PHE CG C 17.877 4.393 -9.724 1.00 . A A . 37 PHE CG 1 1 14 8227 1 1 37 PHE CZ C 20.017 2.734 -10.487 1.00 . A A . 37 PHE CZ 1 1 14 8228 1 1 37 PHE H H 16.737 3.479 -6.571 1.00 . A A . 37 PHE H 1 1 14 8229 1 1 37 PHE HA H 17.062 5.647 -7.224 1.00 . A A . 37 PHE HA 1 1 14 8230 1 1 37 PHE HB2 H 15.861 5.066 -9.942 1.00 . A A . 37 PHE HB2 1 1 14 8231 1 1 37 PHE HB3 H 17.012 6.327 -9.486 1.00 . A A . 37 PHE HB3 1 1 14 8232 1 1 37 PHE HD1 H 19.194 5.088 -8.157 1.00 . A A . 37 PHE HD1 1 1 14 8233 1 1 37 PHE HD2 H 16.815 3.503 -11.384 1.00 . A A . 37 PHE HD2 1 1 14 8234 1 1 37 PHE HE1 H 21.081 3.621 -8.832 1.00 . A A . 37 PHE HE1 1 1 14 8235 1 1 37 PHE HE2 H 18.707 2.041 -12.056 1.00 . A A . 37 PHE HE2 1 1 14 8236 1 1 37 PHE HZ H 20.839 2.098 -10.781 1.00 . A A . 37 PHE HZ 1 1 14 8237 1 1 37 PHE N N 16.280 3.730 -7.435 1.00 . A A . 37 PHE N 1 1 14 8238 1 1 37 PHE O O 14.894 6.849 -6.931 1.00 . A A . 37 PHE O 1 1 14 8239 1 1 38 GLY C C 11.505 4.671 -8.311 1.00 . A A . 38 GLY C 1 1 14 8240 1 1 38 GLY CA C 12.531 5.701 -7.853 1.00 . A A . 38 GLY CA 1 1 14 8241 1 1 38 GLY H H 13.975 4.322 -8.570 1.00 . A A . 38 GLY H 1 1 14 8242 1 1 38 GLY HA2 H 12.377 5.918 -6.795 1.00 . A A . 38 GLY HA2 1 1 14 8243 1 1 38 GLY HA3 H 12.409 6.618 -8.433 1.00 . A A . 38 GLY HA3 1 1 14 8244 1 1 38 GLY N N 13.871 5.182 -8.050 1.00 . A A . 38 GLY N 1 1 14 8245 1 1 38 GLY O O 10.534 5.090 -8.978 1.00 . A A . 38 GLY O 1 1 14 8246 1 1 38 GLY OXT O 11.672 3.488 -7.931 1.00 . A A . 38 GLY OXT 1 1 15 8247 1 1 1 MET C C -10.876 -8.346 17.250 1.00 . A A . 1 MET C 1 1 15 8248 1 1 1 MET CA C -11.629 -9.610 17.649 1.00 . A A . 1 MET CA 1 1 15 8249 1 1 1 MET CB C -10.665 -10.689 18.159 1.00 . A A . 1 MET CB 1 1 15 8250 1 1 1 MET CE C -8.222 -10.456 21.552 1.00 . A A . 1 MET CE 1 1 15 8251 1 1 1 MET CG C -9.937 -10.191 19.412 1.00 . A A . 1 MET CG 1 1 15 8252 1 1 1 MET H1 H -12.824 -9.323 16.007 1.00 . A A . 1 MET H1 1 1 15 8253 1 1 1 MET H2 H -11.788 -10.603 15.869 1.00 . A A . 1 MET H2 1 1 15 8254 1 1 1 MET H3 H -13.126 -10.734 16.822 1.00 . A A . 1 MET H3 1 1 15 8255 1 1 1 MET HA H -12.326 -9.358 18.449 1.00 . A A . 1 MET HA 1 1 15 8256 1 1 1 MET HB2 H -11.231 -11.589 18.407 1.00 . A A . 1 MET HB2 1 1 15 8257 1 1 1 MET HB3 H -9.935 -10.925 17.385 1.00 . A A . 1 MET HB3 1 1 15 8258 1 1 1 MET HE1 H -9.050 -10.132 22.182 1.00 . A A . 1 MET HE1 1 1 15 8259 1 1 1 MET HE2 H -7.534 -11.064 22.140 1.00 . A A . 1 MET HE2 1 1 15 8260 1 1 1 MET HE3 H -7.695 -9.583 21.165 1.00 . A A . 1 MET HE3 1 1 15 8261 1 1 1 MET HG2 H -9.329 -9.328 19.145 1.00 . A A . 1 MET HG2 1 1 15 8262 1 1 1 MET HG3 H -10.680 -9.882 20.148 1.00 . A A . 1 MET HG3 1 1 15 8263 1 1 1 MET N N -12.402 -10.110 16.499 1.00 . A A . 1 MET N 1 1 15 8264 1 1 1 MET O O -11.143 -7.274 17.784 1.00 . A A . 1 MET O 1 1 15 8265 1 1 1 MET SD S -8.861 -11.435 20.170 1.00 . A A . 1 MET SD 1 1 15 8266 1 1 2 SER C C -10.095 -6.564 14.836 1.00 . A A . 2 SER C 1 1 15 8267 1 1 2 SER CA C -9.195 -7.337 15.796 1.00 . A A . 2 SER CA 1 1 15 8268 1 1 2 SER CB C -7.913 -7.828 15.108 1.00 . A A . 2 SER CB 1 1 15 8269 1 1 2 SER H H -9.750 -9.384 15.906 1.00 . A A . 2 SER H 1 1 15 8270 1 1 2 SER HA H -8.923 -6.688 16.631 1.00 . A A . 2 SER HA 1 1 15 8271 1 1 2 SER HB2 H -7.194 -8.139 15.866 1.00 . A A . 2 SER HB2 1 1 15 8272 1 1 2 SER HB3 H -8.145 -8.675 14.462 1.00 . A A . 2 SER HB3 1 1 15 8273 1 1 2 SER HG H -7.471 -5.947 14.796 1.00 . A A . 2 SER HG 1 1 15 8274 1 1 2 SER N N -9.941 -8.475 16.300 1.00 . A A . 2 SER N 1 1 15 8275 1 1 2 SER O O -10.670 -5.551 15.222 1.00 . A A . 2 SER O 1 1 15 8276 1 1 2 SER OG O -7.352 -6.790 14.329 1.00 . A A . 2 SER OG 1 1 15 8277 1 1 3 ASP C C -11.017 -4.929 12.646 1.00 . A A . 3 ASP C 1 1 15 8278 1 1 3 ASP CA C -11.051 -6.461 12.548 1.00 . A A . 3 ASP CA 1 1 15 8279 1 1 3 ASP CB C -12.490 -7.022 12.632 1.00 . A A . 3 ASP CB 1 1 15 8280 1 1 3 ASP CG C -13.015 -7.076 14.069 1.00 . A A . 3 ASP CG 1 1 15 8281 1 1 3 ASP H H -9.710 -7.905 13.349 1.00 . A A . 3 ASP H 1 1 15 8282 1 1 3 ASP HA H -10.639 -6.741 11.579 1.00 . A A . 3 ASP HA 1 1 15 8283 1 1 3 ASP HB2 H -13.152 -6.397 12.034 1.00 . A A . 3 ASP HB2 1 1 15 8284 1 1 3 ASP HB3 H -12.495 -8.032 12.221 1.00 . A A . 3 ASP HB3 1 1 15 8285 1 1 3 ASP N N -10.215 -7.068 13.588 1.00 . A A . 3 ASP N 1 1 15 8286 1 1 3 ASP O O -12.059 -4.274 12.665 1.00 . A A . 3 ASP O 1 1 15 8287 1 1 3 ASP OD1 O -12.764 -8.116 14.729 1.00 . A A . 3 ASP OD1 1 1 15 8288 1 1 3 ASP OD2 O -13.662 -6.091 14.477 1.00 . A A . 3 ASP OD2 1 1 15 8289 1 1 4 ASP C C -8.399 -2.529 11.933 1.00 . A A . 4 ASP C 1 1 15 8290 1 1 4 ASP CA C -9.595 -2.932 12.797 1.00 . A A . 4 ASP CA 1 1 15 8291 1 1 4 ASP CB C -9.362 -2.551 14.267 1.00 . A A . 4 ASP CB 1 1 15 8292 1 1 4 ASP CG C -7.991 -3.020 14.753 1.00 . A A . 4 ASP CG 1 1 15 8293 1 1 4 ASP H H -8.981 -4.962 12.677 1.00 . A A . 4 ASP H 1 1 15 8294 1 1 4 ASP HA H -10.483 -2.416 12.433 1.00 . A A . 4 ASP HA 1 1 15 8295 1 1 4 ASP HB2 H -9.425 -1.468 14.371 1.00 . A A . 4 ASP HB2 1 1 15 8296 1 1 4 ASP HB3 H -10.135 -3.010 14.882 1.00 . A A . 4 ASP HB3 1 1 15 8297 1 1 4 ASP N N -9.799 -4.370 12.701 1.00 . A A . 4 ASP N 1 1 15 8298 1 1 4 ASP O O -7.893 -3.343 11.163 1.00 . A A . 4 ASP O 1 1 15 8299 1 1 4 ASP OD1 O -7.864 -4.237 15.018 1.00 . A A . 4 ASP OD1 1 1 15 8300 1 1 4 ASP OD2 O -7.097 -2.152 14.849 1.00 . A A . 4 ASP OD2 1 1 15 8301 1 1 5 LYS C C -7.185 -0.544 9.848 1.00 . A A . 5 LYS C 1 1 15 8302 1 1 5 LYS CA C -6.823 -0.718 11.333 1.00 . A A . 5 LYS CA 1 1 15 8303 1 1 5 LYS CB C -5.594 -1.629 11.486 1.00 . A A . 5 LYS CB 1 1 15 8304 1 1 5 LYS CD C -3.157 -1.855 10.879 1.00 . A A . 5 LYS CD 1 1 15 8305 1 1 5 LYS CE C -3.303 -2.735 9.625 1.00 . A A . 5 LYS CE 1 1 15 8306 1 1 5 LYS CG C -4.340 -0.882 11.011 1.00 . A A . 5 LYS CG 1 1 15 8307 1 1 5 LYS H H -8.428 -0.657 12.728 1.00 . A A . 5 LYS H 1 1 15 8308 1 1 5 LYS HA H -6.580 0.250 11.759 1.00 . A A . 5 LYS HA 1 1 15 8309 1 1 5 LYS HB2 H -5.475 -1.906 12.534 1.00 . A A . 5 LYS HB2 1 1 15 8310 1 1 5 LYS HB3 H -5.729 -2.525 10.889 1.00 . A A . 5 LYS HB3 1 1 15 8311 1 1 5 LYS HD2 H -2.230 -1.284 10.810 1.00 . A A . 5 LYS HD2 1 1 15 8312 1 1 5 LYS HD3 H -3.117 -2.494 11.764 1.00 . A A . 5 LYS HD3 1 1 15 8313 1 1 5 LYS HE2 H -2.458 -3.422 9.577 1.00 . A A . 5 LYS HE2 1 1 15 8314 1 1 5 LYS HE3 H -4.222 -3.315 9.691 1.00 . A A . 5 LYS HE3 1 1 15 8315 1 1 5 LYS HG2 H -4.535 -0.411 10.051 1.00 . A A . 5 LYS HG2 1 1 15 8316 1 1 5 LYS HG3 H -4.087 -0.111 11.742 1.00 . A A . 5 LYS HG3 1 1 15 8317 1 1 5 LYS HZ1 H -2.525 -1.317 8.367 1.00 . A A . 5 LYS HZ1 1 1 15 8318 1 1 5 LYS HZ2 H -3.308 -2.541 7.587 1.00 . A A . 5 LYS HZ2 1 1 15 8319 1 1 5 LYS HZ3 H -4.178 -1.371 8.362 1.00 . A A . 5 LYS HZ3 1 1 15 8320 1 1 5 LYS N N -7.958 -1.266 12.074 1.00 . A A . 5 LYS N 1 1 15 8321 1 1 5 LYS NZ N -3.330 -1.927 8.389 1.00 . A A . 5 LYS NZ 1 1 15 8322 1 1 5 LYS O O -7.449 -1.528 9.160 1.00 . A A . 5 LYS O 1 1 15 8323 1 1 6 PRO C C -6.376 0.375 7.050 1.00 . A A . 6 PRO C 1 1 15 8324 1 1 6 PRO CA C -7.473 0.973 7.938 1.00 . A A . 6 PRO CA 1 1 15 8325 1 1 6 PRO CB C -7.531 2.500 7.805 1.00 . A A . 6 PRO CB 1 1 15 8326 1 1 6 PRO CD C -6.907 1.903 10.107 1.00 . A A . 6 PRO CD 1 1 15 8327 1 1 6 PRO CG C -7.092 3.082 9.154 1.00 . A A . 6 PRO CG 1 1 15 8328 1 1 6 PRO HA H -8.439 0.542 7.671 1.00 . A A . 6 PRO HA 1 1 15 8329 1 1 6 PRO HB2 H -6.858 2.837 7.017 1.00 . A A . 6 PRO HB2 1 1 15 8330 1 1 6 PRO HB3 H -8.551 2.814 7.581 1.00 . A A . 6 PRO HB3 1 1 15 8331 1 1 6 PRO HD2 H -5.881 1.880 10.477 1.00 . A A . 6 PRO HD2 1 1 15 8332 1 1 6 PRO HD3 H -7.607 1.985 10.941 1.00 . A A . 6 PRO HD3 1 1 15 8333 1 1 6 PRO HG2 H -6.150 3.619 9.038 1.00 . A A . 6 PRO HG2 1 1 15 8334 1 1 6 PRO HG3 H -7.860 3.757 9.537 1.00 . A A . 6 PRO HG3 1 1 15 8335 1 1 6 PRO N N -7.187 0.709 9.335 1.00 . A A . 6 PRO N 1 1 15 8336 1 1 6 PRO O O -5.458 -0.290 7.545 1.00 . A A . 6 PRO O 1 1 15 8337 1 1 7 PHE C C -4.224 0.954 4.888 1.00 . A A . 7 PHE C 1 1 15 8338 1 1 7 PHE CA C -5.486 0.105 4.795 1.00 . A A . 7 PHE CA 1 1 15 8339 1 1 7 PHE CB C -6.074 0.126 3.380 1.00 . A A . 7 PHE CB 1 1 15 8340 1 1 7 PHE CD1 C -7.211 -2.108 3.067 1.00 . A A . 7 PHE CD1 1 1 15 8341 1 1 7 PHE CD2 C -8.593 -0.118 3.299 1.00 . A A . 7 PHE CD2 1 1 15 8342 1 1 7 PHE CE1 C -8.367 -2.897 2.948 1.00 . A A . 7 PHE CE1 1 1 15 8343 1 1 7 PHE CE2 C -9.750 -0.908 3.179 1.00 . A A . 7 PHE CE2 1 1 15 8344 1 1 7 PHE CG C -7.323 -0.718 3.242 1.00 . A A . 7 PHE CG 1 1 15 8345 1 1 7 PHE CZ C -9.636 -2.298 3.002 1.00 . A A . 7 PHE CZ 1 1 15 8346 1 1 7 PHE H H -7.228 1.170 5.378 1.00 . A A . 7 PHE H 1 1 15 8347 1 1 7 PHE HA H -5.241 -0.925 5.057 1.00 . A A . 7 PHE HA 1 1 15 8348 1 1 7 PHE HB2 H -6.312 1.154 3.113 1.00 . A A . 7 PHE HB2 1 1 15 8349 1 1 7 PHE HB3 H -5.323 -0.248 2.684 1.00 . A A . 7 PHE HB3 1 1 15 8350 1 1 7 PHE HD1 H -6.236 -2.572 3.027 1.00 . A A . 7 PHE HD1 1 1 15 8351 1 1 7 PHE HD2 H -8.683 0.949 3.436 1.00 . A A . 7 PHE HD2 1 1 15 8352 1 1 7 PHE HE1 H -8.279 -3.966 2.815 1.00 . A A . 7 PHE HE1 1 1 15 8353 1 1 7 PHE HE2 H -10.726 -0.449 3.224 1.00 . A A . 7 PHE HE2 1 1 15 8354 1 1 7 PHE HZ H -10.525 -2.905 2.912 1.00 . A A . 7 PHE HZ 1 1 15 8355 1 1 7 PHE N N -6.465 0.615 5.736 1.00 . A A . 7 PHE N 1 1 15 8356 1 1 7 PHE O O -3.956 1.772 4.012 1.00 . A A . 7 PHE O 1 1 15 8357 1 1 8 LEU C C -1.044 0.587 5.822 1.00 . A A . 8 LEU C 1 1 15 8358 1 1 8 LEU CA C -2.225 1.476 6.205 1.00 . A A . 8 LEU CA 1 1 15 8359 1 1 8 LEU CB C -2.163 1.879 7.687 1.00 . A A . 8 LEU CB 1 1 15 8360 1 1 8 LEU CD1 C -1.497 3.672 9.299 1.00 . A A . 8 LEU CD1 1 1 15 8361 1 1 8 LEU CD2 C 0.151 2.880 7.599 1.00 . A A . 8 LEU CD2 1 1 15 8362 1 1 8 LEU CG C -1.332 3.161 7.866 1.00 . A A . 8 LEU CG 1 1 15 8363 1 1 8 LEU H H -3.746 0.065 6.648 1.00 . A A . 8 LEU H 1 1 15 8364 1 1 8 LEU HA H -2.213 2.374 5.593 1.00 . A A . 8 LEU HA 1 1 15 8365 1 1 8 LEU HB2 H -3.176 2.062 8.048 1.00 . A A . 8 LEU HB2 1 1 15 8366 1 1 8 LEU HB3 H -1.717 1.072 8.269 1.00 . A A . 8 LEU HB3 1 1 15 8367 1 1 8 LEU HD11 H -2.551 3.871 9.495 1.00 . A A . 8 LEU HD11 1 1 15 8368 1 1 8 LEU HD12 H -1.134 2.919 9.999 1.00 . A A . 8 LEU HD12 1 1 15 8369 1 1 8 LEU HD13 H -0.925 4.591 9.426 1.00 . A A . 8 LEU HD13 1 1 15 8370 1 1 8 LEU HD21 H 0.443 1.950 8.088 1.00 . A A . 8 LEU HD21 1 1 15 8371 1 1 8 LEU HD22 H 0.320 2.795 6.528 1.00 . A A . 8 LEU HD22 1 1 15 8372 1 1 8 LEU HD23 H 0.753 3.700 7.992 1.00 . A A . 8 LEU HD23 1 1 15 8373 1 1 8 LEU HG H -1.686 3.924 7.172 1.00 . A A . 8 LEU HG 1 1 15 8374 1 1 8 LEU N N -3.459 0.750 5.965 1.00 . A A . 8 LEU N 1 1 15 8375 1 1 8 LEU O O -0.836 -0.464 6.430 1.00 . A A . 8 LEU O 1 1 15 8376 1 1 9 CYS C C 2.007 0.370 5.386 1.00 . A A . 9 CYS C 1 1 15 8377 1 1 9 CYS CA C 0.888 0.259 4.357 1.00 . A A . 9 CYS CA 1 1 15 8378 1 1 9 CYS CB C 1.355 0.807 3.007 1.00 . A A . 9 CYS CB 1 1 15 8379 1 1 9 CYS H H -0.497 1.879 4.345 1.00 . A A . 9 CYS H 1 1 15 8380 1 1 9 CYS HA H 0.612 -0.790 4.235 1.00 . A A . 9 CYS HA 1 1 15 8381 1 1 9 CYS HB2 H 0.586 0.634 2.257 1.00 . A A . 9 CYS HB2 1 1 15 8382 1 1 9 CYS HB3 H 1.551 1.879 3.090 1.00 . A A . 9 CYS HB3 1 1 15 8383 1 1 9 CYS N N -0.273 1.009 4.813 1.00 . A A . 9 CYS N 1 1 15 8384 1 1 9 CYS O O 2.854 1.253 5.282 1.00 . A A . 9 CYS O 1 1 15 8385 1 1 9 CYS SG S 2.876 -0.058 2.528 1.00 . A A . 9 CYS SG 1 1 15 8386 1 1 10 THR C C 4.413 -0.675 6.778 1.00 . A A . 10 THR C 1 1 15 8387 1 1 10 THR CA C 3.026 -0.534 7.411 1.00 . A A . 10 THR CA 1 1 15 8388 1 1 10 THR CB C 2.744 -1.689 8.379 1.00 . A A . 10 THR CB 1 1 15 8389 1 1 10 THR CG2 C 3.641 -1.566 9.612 1.00 . A A . 10 THR CG2 1 1 15 8390 1 1 10 THR H H 1.283 -1.229 6.414 1.00 . A A . 10 THR H 1 1 15 8391 1 1 10 THR HA H 2.978 0.409 7.959 1.00 . A A . 10 THR HA 1 1 15 8392 1 1 10 THR HB H 2.941 -2.639 7.880 1.00 . A A . 10 THR HB 1 1 15 8393 1 1 10 THR HG1 H 1.228 -0.806 9.219 1.00 . A A . 10 THR HG1 1 1 15 8394 1 1 10 THR HG21 H 3.471 -0.603 10.094 1.00 . A A . 10 THR HG21 1 1 15 8395 1 1 10 THR HG22 H 3.406 -2.367 10.313 1.00 . A A . 10 THR HG22 1 1 15 8396 1 1 10 THR HG23 H 4.687 -1.643 9.314 1.00 . A A . 10 THR HG23 1 1 15 8397 1 1 10 THR N N 2.010 -0.526 6.374 1.00 . A A . 10 THR N 1 1 15 8398 1 1 10 THR O O 4.694 -1.670 6.111 1.00 . A A . 10 THR O 1 1 15 8399 1 1 10 THR OG1 O 1.390 -1.645 8.778 1.00 . A A . 10 THR OG1 1 1 15 8400 1 1 11 ALA C C 7.493 1.257 7.320 1.00 . A A . 11 ALA C 1 1 15 8401 1 1 11 ALA CA C 6.627 0.324 6.463 1.00 . A A . 11 ALA CA 1 1 15 8402 1 1 11 ALA CB C 6.595 0.773 4.996 1.00 . A A . 11 ALA CB 1 1 15 8403 1 1 11 ALA H H 4.985 1.122 7.545 1.00 . A A . 11 ALA H 1 1 15 8404 1 1 11 ALA HA H 7.029 -0.688 6.519 1.00 . A A . 11 ALA HA 1 1 15 8405 1 1 11 ALA HB1 H 5.611 1.178 4.755 1.00 . A A . 11 ALA HB1 1 1 15 8406 1 1 11 ALA HB2 H 7.350 1.541 4.832 1.00 . A A . 11 ALA HB2 1 1 15 8407 1 1 11 ALA HB3 H 6.802 -0.081 4.351 1.00 . A A . 11 ALA HB3 1 1 15 8408 1 1 11 ALA N N 5.274 0.326 6.993 1.00 . A A . 11 ALA N 1 1 15 8409 1 1 11 ALA O O 6.958 2.043 8.100 1.00 . A A . 11 ALA O 1 1 15 8410 1 1 12 PRO C C 9.634 3.459 7.564 1.00 . A A . 12 PRO C 1 1 15 8411 1 1 12 PRO CA C 9.750 1.984 7.962 1.00 . A A . 12 PRO CA 1 1 15 8412 1 1 12 PRO CB C 11.143 1.425 7.656 1.00 . A A . 12 PRO CB 1 1 15 8413 1 1 12 PRO CD C 9.496 0.253 6.279 1.00 . A A . 12 PRO CD 1 1 15 8414 1 1 12 PRO CG C 10.986 0.559 6.404 1.00 . A A . 12 PRO CG 1 1 15 8415 1 1 12 PRO HA H 9.535 1.874 9.026 1.00 . A A . 12 PRO HA 1 1 15 8416 1 1 12 PRO HB2 H 11.853 2.232 7.476 1.00 . A A . 12 PRO HB2 1 1 15 8417 1 1 12 PRO HB3 H 11.485 0.810 8.490 1.00 . A A . 12 PRO HB3 1 1 15 8418 1 1 12 PRO HD2 H 9.164 0.420 5.257 1.00 . A A . 12 PRO HD2 1 1 15 8419 1 1 12 PRO HD3 H 9.300 -0.778 6.575 1.00 . A A . 12 PRO HD3 1 1 15 8420 1 1 12 PRO HG2 H 11.321 1.115 5.527 1.00 . A A . 12 PRO HG2 1 1 15 8421 1 1 12 PRO HG3 H 11.557 -0.363 6.505 1.00 . A A . 12 PRO HG3 1 1 15 8422 1 1 12 PRO N N 8.832 1.169 7.188 1.00 . A A . 12 PRO N 1 1 15 8423 1 1 12 PRO O O 9.044 4.252 8.293 1.00 . A A . 12 PRO O 1 1 15 8424 1 1 13 GLY C C 8.974 5.447 5.036 1.00 . A A . 13 GLY C 1 1 15 8425 1 1 13 GLY CA C 10.187 5.197 5.928 1.00 . A A . 13 GLY CA 1 1 15 8426 1 1 13 GLY H H 10.669 3.127 5.841 1.00 . A A . 13 GLY H 1 1 15 8427 1 1 13 GLY HA2 H 10.154 5.878 6.779 1.00 . A A . 13 GLY HA2 1 1 15 8428 1 1 13 GLY HA3 H 11.096 5.387 5.356 1.00 . A A . 13 GLY HA3 1 1 15 8429 1 1 13 GLY N N 10.204 3.821 6.406 1.00 . A A . 13 GLY N 1 1 15 8430 1 1 13 GLY O O 9.052 6.224 4.087 1.00 . A A . 13 GLY O 1 1 15 8431 1 1 14 CYS C C 5.444 4.407 5.347 1.00 . A A . 14 CYS C 1 1 15 8432 1 1 14 CYS CA C 6.628 4.962 4.562 1.00 . A A . 14 CYS CA 1 1 15 8433 1 1 14 CYS CB C 6.776 4.236 3.226 1.00 . A A . 14 CYS CB 1 1 15 8434 1 1 14 CYS H H 7.835 4.155 6.124 1.00 . A A . 14 CYS H 1 1 15 8435 1 1 14 CYS HA H 6.468 6.024 4.377 1.00 . A A . 14 CYS HA 1 1 15 8436 1 1 14 CYS HB2 H 7.625 4.643 2.677 1.00 . A A . 14 CYS HB2 1 1 15 8437 1 1 14 CYS HB3 H 6.932 3.176 3.404 1.00 . A A . 14 CYS HB3 1 1 15 8438 1 1 14 CYS N N 7.849 4.791 5.337 1.00 . A A . 14 CYS N 1 1 15 8439 1 1 14 CYS O O 5.564 3.372 5.988 1.00 . A A . 14 CYS O 1 1 15 8440 1 1 14 CYS SG S 5.268 4.471 2.258 1.00 . A A . 14 CYS SG 1 1 15 8441 1 1 15 GLY C C 1.881 5.348 5.423 1.00 . A A . 15 GLY C 1 1 15 8442 1 1 15 GLY CA C 3.108 4.662 6.001 1.00 . A A . 15 GLY CA 1 1 15 8443 1 1 15 GLY H H 4.249 5.951 4.749 1.00 . A A . 15 GLY H 1 1 15 8444 1 1 15 GLY HA2 H 2.998 3.585 5.901 1.00 . A A . 15 GLY HA2 1 1 15 8445 1 1 15 GLY HA3 H 3.202 4.917 7.057 1.00 . A A . 15 GLY HA3 1 1 15 8446 1 1 15 GLY N N 4.300 5.097 5.294 1.00 . A A . 15 GLY N 1 1 15 8447 1 1 15 GLY O O 1.229 6.131 6.109 1.00 . A A . 15 GLY O 1 1 15 8448 1 1 16 GLN C C -0.845 4.910 3.836 1.00 . A A . 16 GLN C 1 1 15 8449 1 1 16 GLN CA C 0.428 5.673 3.494 1.00 . A A . 16 GLN CA 1 1 15 8450 1 1 16 GLN CB C 0.647 5.706 1.978 1.00 . A A . 16 GLN CB 1 1 15 8451 1 1 16 GLN CD C 2.454 7.403 2.537 1.00 . A A . 16 GLN CD 1 1 15 8452 1 1 16 GLN CG C 2.047 6.235 1.641 1.00 . A A . 16 GLN CG 1 1 15 8453 1 1 16 GLN H H 2.128 4.401 3.632 1.00 . A A . 16 GLN H 1 1 15 8454 1 1 16 GLN HA H 0.326 6.695 3.853 1.00 . A A . 16 GLN HA 1 1 15 8455 1 1 16 GLN HB2 H 0.546 4.698 1.580 1.00 . A A . 16 GLN HB2 1 1 15 8456 1 1 16 GLN HB3 H -0.103 6.351 1.520 1.00 . A A . 16 GLN HB3 1 1 15 8457 1 1 16 GLN HE21 H 1.971 9.322 3.001 1.00 . A A . 16 GLN HE21 1 1 15 8458 1 1 16 GLN HE22 H 0.976 8.574 1.770 1.00 . A A . 16 GLN HE22 1 1 15 8459 1 1 16 GLN HG2 H 2.763 5.431 1.766 1.00 . A A . 16 GLN HG2 1 1 15 8460 1 1 16 GLN HG3 H 2.058 6.563 0.603 1.00 . A A . 16 GLN HG3 1 1 15 8461 1 1 16 GLN N N 1.566 5.058 4.154 1.00 . A A . 16 GLN N 1 1 15 8462 1 1 16 GLN NE2 N 1.742 8.523 2.427 1.00 . A A . 16 GLN NE2 1 1 15 8463 1 1 16 GLN O O -0.798 3.718 4.139 1.00 . A A . 16 GLN O 1 1 15 8464 1 1 16 GLN OE1 O 3.402 7.285 3.314 1.00 . A A . 16 GLN OE1 1 1 15 8465 1 1 17 ARG C C -4.190 5.195 2.893 1.00 . A A . 17 ARG C 1 1 15 8466 1 1 17 ARG CA C -3.284 5.054 4.101 1.00 . A A . 17 ARG CA 1 1 15 8467 1 1 17 ARG CB C -3.868 5.796 5.305 1.00 . A A . 17 ARG CB 1 1 15 8468 1 1 17 ARG CD C -6.363 6.092 5.097 1.00 . A A . 17 ARG CD 1 1 15 8469 1 1 17 ARG CG C -5.243 5.224 5.690 1.00 . A A . 17 ARG CG 1 1 15 8470 1 1 17 ARG CZ C -8.754 5.665 4.577 1.00 . A A . 17 ARG CZ 1 1 15 8471 1 1 17 ARG H H -1.935 6.587 3.509 1.00 . A A . 17 ARG H 1 1 15 8472 1 1 17 ARG HA H -3.182 4.000 4.349 1.00 . A A . 17 ARG HA 1 1 15 8473 1 1 17 ARG HB2 H -3.191 5.689 6.147 1.00 . A A . 17 ARG HB2 1 1 15 8474 1 1 17 ARG HB3 H -3.971 6.851 5.057 1.00 . A A . 17 ARG HB3 1 1 15 8475 1 1 17 ARG HD2 H -6.309 7.091 5.531 1.00 . A A . 17 ARG HD2 1 1 15 8476 1 1 17 ARG HD3 H -6.227 6.164 4.021 1.00 . A A . 17 ARG HD3 1 1 15 8477 1 1 17 ARG HE H -7.781 4.974 6.233 1.00 . A A . 17 ARG HE 1 1 15 8478 1 1 17 ARG HG2 H -5.334 4.204 5.318 1.00 . A A . 17 ARG HG2 1 1 15 8479 1 1 17 ARG HG3 H -5.336 5.218 6.777 1.00 . A A . 17 ARG HG3 1 1 15 8480 1 1 17 ARG HH11 H -7.850 6.981 3.302 1.00 . A A . 17 ARG HH11 1 1 15 8481 1 1 17 ARG HH12 H -9.436 6.432 2.804 1.00 . A A . 17 ARG HH12 1 1 15 8482 1 1 17 ARG HH21 H -9.972 4.480 5.706 1.00 . A A . 17 ARG HH21 1 1 15 8483 1 1 17 ARG HH22 H -10.713 5.172 4.282 1.00 . A A . 17 ARG HH22 1 1 15 8484 1 1 17 ARG N N -1.977 5.617 3.783 1.00 . A A . 17 ARG N 1 1 15 8485 1 1 17 ARG NE N -7.683 5.513 5.384 1.00 . A A . 17 ARG NE 1 1 15 8486 1 1 17 ARG NH1 N -8.672 6.422 3.472 1.00 . A A . 17 ARG NH1 1 1 15 8487 1 1 17 ARG NH2 N -9.907 5.056 4.880 1.00 . A A . 17 ARG NH2 1 1 15 8488 1 1 17 ARG O O -4.083 6.168 2.146 1.00 . A A . 17 ARG O 1 1 15 8489 1 1 18 PHE C C -7.385 3.772 2.048 1.00 . A A . 18 PHE C 1 1 15 8490 1 1 18 PHE CA C -6.009 4.234 1.587 1.00 . A A . 18 PHE CA 1 1 15 8491 1 1 18 PHE CB C -5.465 3.334 0.482 1.00 . A A . 18 PHE CB 1 1 15 8492 1 1 18 PHE CD1 C -2.980 3.078 0.863 1.00 . A A . 18 PHE CD1 1 1 15 8493 1 1 18 PHE CD2 C -3.736 4.524 -0.940 1.00 . A A . 18 PHE CD2 1 1 15 8494 1 1 18 PHE CE1 C -1.647 3.371 0.544 1.00 . A A . 18 PHE CE1 1 1 15 8495 1 1 18 PHE CE2 C -2.398 4.820 -1.259 1.00 . A A . 18 PHE CE2 1 1 15 8496 1 1 18 PHE CG C -4.027 3.648 0.120 1.00 . A A . 18 PHE CG 1 1 15 8497 1 1 18 PHE CZ C -1.354 4.242 -0.516 1.00 . A A . 18 PHE CZ 1 1 15 8498 1 1 18 PHE H H -5.120 3.448 3.356 1.00 . A A . 18 PHE H 1 1 15 8499 1 1 18 PHE HA H -6.094 5.251 1.203 1.00 . A A . 18 PHE HA 1 1 15 8500 1 1 18 PHE HB2 H -5.526 2.296 0.811 1.00 . A A . 18 PHE HB2 1 1 15 8501 1 1 18 PHE HB3 H -6.087 3.455 -0.403 1.00 . A A . 18 PHE HB3 1 1 15 8502 1 1 18 PHE HD1 H -3.204 2.421 1.687 1.00 . A A . 18 PHE HD1 1 1 15 8503 1 1 18 PHE HD2 H -4.537 4.974 -1.507 1.00 . A A . 18 PHE HD2 1 1 15 8504 1 1 18 PHE HE1 H -0.846 2.929 1.117 1.00 . A A . 18 PHE HE1 1 1 15 8505 1 1 18 PHE HE2 H -2.174 5.494 -2.073 1.00 . A A . 18 PHE HE2 1 1 15 8506 1 1 18 PHE HZ H -0.328 4.472 -0.755 1.00 . A A . 18 PHE HZ 1 1 15 8507 1 1 18 PHE N N -5.082 4.223 2.704 1.00 . A A . 18 PHE N 1 1 15 8508 1 1 18 PHE O O -7.534 3.257 3.157 1.00 . A A . 18 PHE O 1 1 15 8509 1 1 19 THR C C -10.046 2.160 1.063 1.00 . A A . 19 THR C 1 1 15 8510 1 1 19 THR CA C -9.762 3.599 1.504 1.00 . A A . 19 THR CA 1 1 15 8511 1 1 19 THR CB C -10.707 4.590 0.811 1.00 . A A . 19 THR CB 1 1 15 8512 1 1 19 THR CG2 C -12.159 4.297 1.197 1.00 . A A . 19 THR CG2 1 1 15 8513 1 1 19 THR H H -8.205 4.394 0.297 1.00 . A A . 19 THR H 1 1 15 8514 1 1 19 THR HA H -9.912 3.669 2.580 1.00 . A A . 19 THR HA 1 1 15 8515 1 1 19 THR HB H -10.595 4.504 -0.272 1.00 . A A . 19 THR HB 1 1 15 8516 1 1 19 THR HG1 H -10.906 6.523 0.702 1.00 . A A . 19 THR HG1 1 1 15 8517 1 1 19 THR HG21 H -12.240 4.217 2.282 1.00 . A A . 19 THR HG21 1 1 15 8518 1 1 19 THR HG22 H -12.799 5.107 0.845 1.00 . A A . 19 THR HG22 1 1 15 8519 1 1 19 THR HG23 H -12.479 3.361 0.740 1.00 . A A . 19 THR HG23 1 1 15 8520 1 1 19 THR N N -8.390 3.968 1.193 1.00 . A A . 19 THR N 1 1 15 8521 1 1 19 THR O O -10.969 1.537 1.580 1.00 . A A . 19 THR O 1 1 15 8522 1 1 19 THR OG1 O -10.376 5.905 1.213 1.00 . A A . 19 THR OG1 1 1 15 8523 1 1 20 ASN C C -8.116 -0.450 -0.470 1.00 . A A . 20 ASN C 1 1 15 8524 1 1 20 ASN CA C -9.450 0.275 -0.390 1.00 . A A . 20 ASN CA 1 1 15 8525 1 1 20 ASN CB C -10.090 0.316 -1.784 1.00 . A A . 20 ASN CB 1 1 15 8526 1 1 20 ASN CG C -11.217 1.335 -1.861 1.00 . A A . 20 ASN CG 1 1 15 8527 1 1 20 ASN H H -8.502 2.178 -0.276 1.00 . A A . 20 ASN H 1 1 15 8528 1 1 20 ASN HA H -10.109 -0.269 0.286 1.00 . A A . 20 ASN HA 1 1 15 8529 1 1 20 ASN HB2 H -9.326 0.575 -2.518 1.00 . A A . 20 ASN HB2 1 1 15 8530 1 1 20 ASN HB3 H -10.487 -0.672 -2.021 1.00 . A A . 20 ASN HB3 1 1 15 8531 1 1 20 ASN HD21 H -10.136 2.469 -3.159 1.00 . A A . 20 ASN HD21 1 1 15 8532 1 1 20 ASN HD22 H -11.726 3.088 -2.751 1.00 . A A . 20 ASN HD22 1 1 15 8533 1 1 20 ASN N N -9.256 1.632 0.111 1.00 . A A . 20 ASN N 1 1 15 8534 1 1 20 ASN ND2 N -11.012 2.383 -2.654 1.00 . A A . 20 ASN ND2 1 1 15 8535 1 1 20 ASN O O -7.053 0.173 -0.422 1.00 . A A . 20 ASN O 1 1 15 8536 1 1 20 ASN OD1 O -12.251 1.177 -1.220 1.00 . A A . 20 ASN OD1 1 1 15 8537 1 1 21 GLU C C -6.401 -2.413 -2.142 1.00 . A A . 21 GLU C 1 1 15 8538 1 1 21 GLU CA C -7.006 -2.608 -0.747 1.00 . A A . 21 GLU CA 1 1 15 8539 1 1 21 GLU CB C -7.415 -4.075 -0.517 1.00 . A A . 21 GLU CB 1 1 15 8540 1 1 21 GLU CD C -5.075 -4.657 0.269 1.00 . A A . 21 GLU CD 1 1 15 8541 1 1 21 GLU CG C -6.214 -5.020 -0.679 1.00 . A A . 21 GLU CG 1 1 15 8542 1 1 21 GLU H H -9.088 -2.226 -0.628 1.00 . A A . 21 GLU H 1 1 15 8543 1 1 21 GLU HA H -6.274 -2.313 0.006 1.00 . A A . 21 GLU HA 1 1 15 8544 1 1 21 GLU HB2 H -7.819 -4.181 0.490 1.00 . A A . 21 GLU HB2 1 1 15 8545 1 1 21 GLU HB3 H -8.184 -4.349 -1.239 1.00 . A A . 21 GLU HB3 1 1 15 8546 1 1 21 GLU HG2 H -6.536 -6.039 -0.465 1.00 . A A . 21 GLU HG2 1 1 15 8547 1 1 21 GLU HG3 H -5.853 -4.974 -1.705 1.00 . A A . 21 GLU HG3 1 1 15 8548 1 1 21 GLU N N -8.185 -1.776 -0.608 1.00 . A A . 21 GLU N 1 1 15 8549 1 1 21 GLU O O -5.220 -2.667 -2.344 1.00 . A A . 21 GLU O 1 1 15 8550 1 1 21 GLU OE1 O -5.385 -4.338 1.438 1.00 . A A . 21 GLU OE1 1 1 15 8551 1 1 21 GLU OE2 O -3.916 -4.707 -0.193 1.00 . A A . 21 GLU OE2 1 1 15 8552 1 1 22 ASP C C -5.566 -0.817 -4.507 1.00 . A A . 22 ASP C 1 1 15 8553 1 1 22 ASP CA C -6.772 -1.749 -4.475 1.00 . A A . 22 ASP CA 1 1 15 8554 1 1 22 ASP CB C -7.924 -1.146 -5.279 1.00 . A A . 22 ASP CB 1 1 15 8555 1 1 22 ASP CG C -7.453 -0.707 -6.661 1.00 . A A . 22 ASP CG 1 1 15 8556 1 1 22 ASP H H -8.184 -1.746 -2.883 1.00 . A A . 22 ASP H 1 1 15 8557 1 1 22 ASP HA H -6.495 -2.710 -4.912 1.00 . A A . 22 ASP HA 1 1 15 8558 1 1 22 ASP HB2 H -8.714 -1.888 -5.387 1.00 . A A . 22 ASP HB2 1 1 15 8559 1 1 22 ASP HB3 H -8.316 -0.280 -4.744 1.00 . A A . 22 ASP HB3 1 1 15 8560 1 1 22 ASP N N -7.219 -1.957 -3.103 1.00 . A A . 22 ASP N 1 1 15 8561 1 1 22 ASP O O -4.540 -1.130 -5.111 1.00 . A A . 22 ASP O 1 1 15 8562 1 1 22 ASP OD1 O -7.502 -1.558 -7.574 1.00 . A A . 22 ASP OD1 1 1 15 8563 1 1 22 ASP OD2 O -7.054 0.474 -6.776 1.00 . A A . 22 ASP OD2 1 1 15 8564 1 1 23 HIS C C -3.462 0.835 -3.040 1.00 . A A . 23 HIS C 1 1 15 8565 1 1 23 HIS CA C -4.655 1.338 -3.848 1.00 . A A . 23 HIS CA 1 1 15 8566 1 1 23 HIS CB C -5.205 2.638 -3.256 1.00 . A A . 23 HIS CB 1 1 15 8567 1 1 23 HIS CD2 C -7.625 3.680 -3.162 1.00 . A A . 23 HIS CD2 1 1 15 8568 1 1 23 HIS CE1 C -8.361 3.028 -5.053 1.00 . A A . 23 HIS CE1 1 1 15 8569 1 1 23 HIS CG C -6.599 2.974 -3.736 1.00 . A A . 23 HIS CG 1 1 15 8570 1 1 23 HIS H H -6.558 0.532 -3.366 1.00 . A A . 23 HIS H 1 1 15 8571 1 1 23 HIS HA H -4.335 1.523 -4.874 1.00 . A A . 23 HIS HA 1 1 15 8572 1 1 23 HIS HB2 H -5.227 2.541 -2.175 1.00 . A A . 23 HIS HB2 1 1 15 8573 1 1 23 HIS HB3 H -4.536 3.456 -3.521 1.00 . A A . 23 HIS HB3 1 1 15 8574 1 1 23 HIS HD1 H -6.618 2.003 -5.667 1.00 . A A . 23 HIS HD1 1 1 15 8575 1 1 23 HIS HD2 H -7.570 4.145 -2.188 1.00 . A A . 23 HIS HD2 1 1 15 8576 1 1 23 HIS HE1 H -9.001 2.857 -5.907 1.00 . A A . 23 HIS HE1 1 1 15 8577 1 1 23 HIS N N -5.701 0.337 -3.860 1.00 . A A . 23 HIS N 1 1 15 8578 1 1 23 HIS ND1 N -7.103 2.557 -4.968 1.00 . A A . 23 HIS ND1 1 1 15 8579 1 1 23 HIS NE2 N -8.744 3.721 -3.979 1.00 . A A . 23 HIS NE2 1 1 15 8580 1 1 23 HIS O O -2.315 1.136 -3.367 1.00 . A A . 23 HIS O 1 1 15 8581 1 1 24 LEU C C -1.896 -1.537 -1.942 1.00 . A A . 24 LEU C 1 1 15 8582 1 1 24 LEU CA C -2.686 -0.494 -1.150 1.00 . A A . 24 LEU CA 1 1 15 8583 1 1 24 LEU CB C -3.308 -1.124 0.100 1.00 . A A . 24 LEU CB 1 1 15 8584 1 1 24 LEU CD1 C -2.116 -0.016 2.004 1.00 . A A . 24 LEU CD1 1 1 15 8585 1 1 24 LEU CD2 C -2.654 -2.437 2.135 1.00 . A A . 24 LEU CD2 1 1 15 8586 1 1 24 LEU CG C -2.240 -1.301 1.199 1.00 . A A . 24 LEU CG 1 1 15 8587 1 1 24 LEU H H -4.699 -0.155 -1.759 1.00 . A A . 24 LEU H 1 1 15 8588 1 1 24 LEU HA H -2.013 0.308 -0.846 1.00 . A A . 24 LEU HA 1 1 15 8589 1 1 24 LEU HB2 H -4.106 -0.480 0.471 1.00 . A A . 24 LEU HB2 1 1 15 8590 1 1 24 LEU HB3 H -3.727 -2.095 -0.161 1.00 . A A . 24 LEU HB3 1 1 15 8591 1 1 24 LEU HD11 H -3.103 0.313 2.310 1.00 . A A . 24 LEU HD11 1 1 15 8592 1 1 24 LEU HD12 H -1.507 -0.200 2.886 1.00 . A A . 24 LEU HD12 1 1 15 8593 1 1 24 LEU HD13 H -1.647 0.750 1.394 1.00 . A A . 24 LEU HD13 1 1 15 8594 1 1 24 LEU HD21 H -3.646 -2.231 2.540 1.00 . A A . 24 LEU HD21 1 1 15 8595 1 1 24 LEU HD22 H -2.674 -3.375 1.583 1.00 . A A . 24 LEU HD22 1 1 15 8596 1 1 24 LEU HD23 H -1.937 -2.514 2.953 1.00 . A A . 24 LEU HD23 1 1 15 8597 1 1 24 LEU HG H -1.272 -1.532 0.750 1.00 . A A . 24 LEU HG 1 1 15 8598 1 1 24 LEU N N -3.736 0.061 -1.986 1.00 . A A . 24 LEU N 1 1 15 8599 1 1 24 LEU O O -0.701 -1.697 -1.729 1.00 . A A . 24 LEU O 1 1 15 8600 1 1 25 ALA C C -0.879 -2.669 -4.575 1.00 . A A . 25 ALA C 1 1 15 8601 1 1 25 ALA CA C -1.945 -3.277 -3.667 1.00 . A A . 25 ALA CA 1 1 15 8602 1 1 25 ALA CB C -3.015 -3.992 -4.493 1.00 . A A . 25 ALA CB 1 1 15 8603 1 1 25 ALA H H -3.558 -2.066 -2.996 1.00 . A A . 25 ALA H 1 1 15 8604 1 1 25 ALA HA H -1.470 -4.002 -3.004 1.00 . A A . 25 ALA HA 1 1 15 8605 1 1 25 ALA HB1 H -3.772 -4.406 -3.828 1.00 . A A . 25 ALA HB1 1 1 15 8606 1 1 25 ALA HB2 H -3.481 -3.286 -5.179 1.00 . A A . 25 ALA HB2 1 1 15 8607 1 1 25 ALA HB3 H -2.554 -4.799 -5.064 1.00 . A A . 25 ALA HB3 1 1 15 8608 1 1 25 ALA N N -2.572 -2.244 -2.857 1.00 . A A . 25 ALA N 1 1 15 8609 1 1 25 ALA O O 0.285 -3.048 -4.495 1.00 . A A . 25 ALA O 1 1 15 8610 1 1 26 VAL C C 0.780 -0.391 -5.588 1.00 . A A . 26 VAL C 1 1 15 8611 1 1 26 VAL CA C -0.336 -1.092 -6.370 1.00 . A A . 26 VAL CA 1 1 15 8612 1 1 26 VAL CB C -1.080 -0.103 -7.291 1.00 . A A . 26 VAL CB 1 1 15 8613 1 1 26 VAL CG1 C -2.106 -0.863 -8.138 1.00 . A A . 26 VAL CG1 1 1 15 8614 1 1 26 VAL CG2 C -1.797 0.976 -6.471 1.00 . A A . 26 VAL CG2 1 1 15 8615 1 1 26 VAL H H -2.246 -1.446 -5.470 1.00 . A A . 26 VAL H 1 1 15 8616 1 1 26 VAL HA H 0.114 -1.868 -6.991 1.00 . A A . 26 VAL HA 1 1 15 8617 1 1 26 VAL HB H -0.358 0.376 -7.954 1.00 . A A . 26 VAL HB 1 1 15 8618 1 1 26 VAL HG11 H -1.608 -1.665 -8.682 1.00 . A A . 26 VAL HG11 1 1 15 8619 1 1 26 VAL HG12 H -2.874 -1.287 -7.490 1.00 . A A . 26 VAL HG12 1 1 15 8620 1 1 26 VAL HG13 H -2.570 -0.178 -8.848 1.00 . A A . 26 VAL HG13 1 1 15 8621 1 1 26 VAL HG21 H -2.476 0.506 -5.763 1.00 . A A . 26 VAL HG21 1 1 15 8622 1 1 26 VAL HG22 H -1.066 1.577 -5.930 1.00 . A A . 26 VAL HG22 1 1 15 8623 1 1 26 VAL HG23 H -2.366 1.621 -7.140 1.00 . A A . 26 VAL HG23 1 1 15 8624 1 1 26 VAL N N -1.274 -1.727 -5.444 1.00 . A A . 26 VAL N 1 1 15 8625 1 1 26 VAL O O 1.939 -0.410 -6.001 1.00 . A A . 26 VAL O 1 1 15 8626 1 1 27 HIS C C 2.399 -0.084 -3.053 1.00 . A A . 27 HIS C 1 1 15 8627 1 1 27 HIS CA C 1.382 0.912 -3.612 1.00 . A A . 27 HIS CA 1 1 15 8628 1 1 27 HIS CB C 0.614 1.595 -2.483 1.00 . A A . 27 HIS CB 1 1 15 8629 1 1 27 HIS CD2 C 1.901 1.727 -0.214 1.00 . A A . 27 HIS CD2 1 1 15 8630 1 1 27 HIS CE1 C 2.835 3.627 -0.453 1.00 . A A . 27 HIS CE1 1 1 15 8631 1 1 27 HIS CG C 1.508 2.184 -1.438 1.00 . A A . 27 HIS CG 1 1 15 8632 1 1 27 HIS H H -0.545 0.210 -4.166 1.00 . A A . 27 HIS H 1 1 15 8633 1 1 27 HIS HA H 1.904 1.668 -4.200 1.00 . A A . 27 HIS HA 1 1 15 8634 1 1 27 HIS HB2 H -0.007 2.386 -2.904 1.00 . A A . 27 HIS HB2 1 1 15 8635 1 1 27 HIS HB3 H -0.030 0.857 -2.005 1.00 . A A . 27 HIS HB3 1 1 15 8636 1 1 27 HIS HD1 H 2.057 4.042 -2.372 1.00 . A A . 27 HIS HD1 1 1 15 8637 1 1 27 HIS HD2 H 1.594 0.777 0.197 1.00 . A A . 27 HIS HD2 1 1 15 8638 1 1 27 HIS HE1 H 3.424 4.514 -0.281 1.00 . A A . 27 HIS HE1 1 1 15 8639 1 1 27 HIS N N 0.425 0.222 -4.457 1.00 . A A . 27 HIS N 1 1 15 8640 1 1 27 HIS ND1 N 2.127 3.419 -1.579 1.00 . A A . 27 HIS ND1 1 1 15 8641 1 1 27 HIS NE2 N 2.736 2.627 0.429 1.00 . A A . 27 HIS NE2 1 1 15 8642 1 1 27 HIS O O 3.605 0.159 -3.094 1.00 . A A . 27 HIS O 1 1 15 8643 1 1 28 LYS C C 3.630 -2.851 -3.038 1.00 . A A . 28 LYS C 1 1 15 8644 1 1 28 LYS CA C 2.740 -2.241 -1.956 1.00 . A A . 28 LYS CA 1 1 15 8645 1 1 28 LYS CB C 1.839 -3.304 -1.314 1.00 . A A . 28 LYS CB 1 1 15 8646 1 1 28 LYS CD C 3.491 -3.783 0.514 1.00 . A A . 28 LYS CD 1 1 15 8647 1 1 28 LYS CE C 3.977 -4.896 1.449 1.00 . A A . 28 LYS CE 1 1 15 8648 1 1 28 LYS CG C 2.679 -4.388 -0.634 1.00 . A A . 28 LYS CG 1 1 15 8649 1 1 28 LYS H H 0.902 -1.351 -2.529 1.00 . A A . 28 LYS H 1 1 15 8650 1 1 28 LYS HA H 3.369 -1.797 -1.189 1.00 . A A . 28 LYS HA 1 1 15 8651 1 1 28 LYS HB2 H 1.198 -2.830 -0.570 1.00 . A A . 28 LYS HB2 1 1 15 8652 1 1 28 LYS HB3 H 1.217 -3.762 -2.084 1.00 . A A . 28 LYS HB3 1 1 15 8653 1 1 28 LYS HD2 H 4.351 -3.247 0.109 1.00 . A A . 28 LYS HD2 1 1 15 8654 1 1 28 LYS HD3 H 2.863 -3.088 1.073 1.00 . A A . 28 LYS HD3 1 1 15 8655 1 1 28 LYS HE2 H 4.522 -4.448 2.281 1.00 . A A . 28 LYS HE2 1 1 15 8656 1 1 28 LYS HE3 H 3.115 -5.439 1.838 1.00 . A A . 28 LYS HE3 1 1 15 8657 1 1 28 LYS HG2 H 2.012 -5.155 -0.240 1.00 . A A . 28 LYS HG2 1 1 15 8658 1 1 28 LYS HG3 H 3.351 -4.837 -1.362 1.00 . A A . 28 LYS HG3 1 1 15 8659 1 1 28 LYS HZ1 H 5.666 -5.345 0.381 1.00 . A A . 28 LYS HZ1 1 1 15 8660 1 1 28 LYS HZ2 H 5.176 -6.555 1.385 1.00 . A A . 28 LYS HZ2 1 1 15 8661 1 1 28 LYS HZ3 H 4.363 -6.275 -0.025 1.00 . A A . 28 LYS HZ3 1 1 15 8662 1 1 28 LYS N N 1.901 -1.207 -2.530 1.00 . A A . 28 LYS N 1 1 15 8663 1 1 28 LYS NZ N 4.866 -5.840 0.745 1.00 . A A . 28 LYS NZ 1 1 15 8664 1 1 28 LYS O O 4.796 -3.151 -2.787 1.00 . A A . 28 LYS O 1 1 15 8665 1 1 29 HIS C C 5.086 -2.779 -5.603 1.00 . A A . 29 HIS C 1 1 15 8666 1 1 29 HIS CA C 3.816 -3.595 -5.357 1.00 . A A . 29 HIS CA 1 1 15 8667 1 1 29 HIS CB C 2.923 -3.610 -6.604 1.00 . A A . 29 HIS CB 1 1 15 8668 1 1 29 HIS CD2 C 2.886 -4.991 -8.848 1.00 . A A . 29 HIS CD2 1 1 15 8669 1 1 29 HIS CE1 C 4.910 -5.659 -8.880 1.00 . A A . 29 HIS CE1 1 1 15 8670 1 1 29 HIS CG C 3.466 -4.475 -7.717 1.00 . A A . 29 HIS CG 1 1 15 8671 1 1 29 HIS H H 2.112 -2.767 -4.393 1.00 . A A . 29 HIS H 1 1 15 8672 1 1 29 HIS HA H 4.095 -4.620 -5.109 1.00 . A A . 29 HIS HA 1 1 15 8673 1 1 29 HIS HB2 H 1.938 -3.986 -6.324 1.00 . A A . 29 HIS HB2 1 1 15 8674 1 1 29 HIS HB3 H 2.816 -2.592 -6.975 1.00 . A A . 29 HIS HB3 1 1 15 8675 1 1 29 HIS HD1 H 5.508 -4.733 -7.078 1.00 . A A . 29 HIS HD1 1 1 15 8676 1 1 29 HIS HD2 H 1.854 -4.832 -9.126 1.00 . A A . 29 HIS HD2 1 1 15 8677 1 1 29 HIS HE1 H 5.832 -6.137 -9.175 1.00 . A A . 29 HIS HE1 1 1 15 8678 1 1 29 HIS N N 3.077 -3.030 -4.242 1.00 . A A . 29 HIS N 1 1 15 8679 1 1 29 HIS ND1 N 4.784 -4.923 -7.759 1.00 . A A . 29 HIS ND1 1 1 15 8680 1 1 29 HIS NE2 N 3.786 -5.740 -9.592 1.00 . A A . 29 HIS NE2 1 1 15 8681 1 1 29 HIS O O 6.129 -3.347 -5.893 1.00 . A A . 29 HIS O 1 1 15 8682 1 1 30 LYS C C 7.234 -0.862 -4.663 1.00 . A A . 30 LYS C 1 1 15 8683 1 1 30 LYS CA C 6.141 -0.574 -5.701 1.00 . A A . 30 LYS CA 1 1 15 8684 1 1 30 LYS CB C 5.683 0.890 -5.630 1.00 . A A . 30 LYS CB 1 1 15 8685 1 1 30 LYS CD C 6.447 2.269 -7.605 1.00 . A A . 30 LYS CD 1 1 15 8686 1 1 30 LYS CE C 6.598 1.095 -8.580 1.00 . A A . 30 LYS CE 1 1 15 8687 1 1 30 LYS CG C 6.780 1.822 -6.173 1.00 . A A . 30 LYS CG 1 1 15 8688 1 1 30 LYS H H 4.108 -1.026 -5.239 1.00 . A A . 30 LYS H 1 1 15 8689 1 1 30 LYS HA H 6.544 -0.771 -6.692 1.00 . A A . 30 LYS HA 1 1 15 8690 1 1 30 LYS HB2 H 4.774 1.013 -6.221 1.00 . A A . 30 LYS HB2 1 1 15 8691 1 1 30 LYS HB3 H 5.473 1.149 -4.592 1.00 . A A . 30 LYS HB3 1 1 15 8692 1 1 30 LYS HD2 H 5.424 2.645 -7.643 1.00 . A A . 30 LYS HD2 1 1 15 8693 1 1 30 LYS HD3 H 7.133 3.066 -7.898 1.00 . A A . 30 LYS HD3 1 1 15 8694 1 1 30 LYS HE2 H 7.566 0.618 -8.421 1.00 . A A . 30 LYS HE2 1 1 15 8695 1 1 30 LYS HE3 H 5.805 0.370 -8.397 1.00 . A A . 30 LYS HE3 1 1 15 8696 1 1 30 LYS HG2 H 6.846 2.703 -5.533 1.00 . A A . 30 LYS HG2 1 1 15 8697 1 1 30 LYS HG3 H 7.739 1.305 -6.168 1.00 . A A . 30 LYS HG3 1 1 15 8698 1 1 30 LYS HZ1 H 7.154 2.331 -10.119 1.00 . A A . 30 LYS HZ1 1 1 15 8699 1 1 30 LYS HZ2 H 6.770 0.799 -10.601 1.00 . A A . 30 LYS HZ2 1 1 15 8700 1 1 30 LYS HZ3 H 5.573 1.856 -10.180 1.00 . A A . 30 LYS HZ3 1 1 15 8701 1 1 30 LYS N N 4.995 -1.448 -5.485 1.00 . A A . 30 LYS N 1 1 15 8702 1 1 30 LYS NZ N 6.514 1.555 -9.976 1.00 . A A . 30 LYS NZ 1 1 15 8703 1 1 30 LYS O O 8.418 -0.861 -4.998 1.00 . A A . 30 LYS O 1 1 15 8704 1 1 31 HIS C C 8.495 -2.741 -2.642 1.00 . A A . 31 HIS C 1 1 15 8705 1 1 31 HIS CA C 7.806 -1.411 -2.351 1.00 . A A . 31 HIS CA 1 1 15 8706 1 1 31 HIS CB C 7.095 -1.464 -0.997 1.00 . A A . 31 HIS CB 1 1 15 8707 1 1 31 HIS CD2 C 5.439 0.402 -0.171 1.00 . A A . 31 HIS CD2 1 1 15 8708 1 1 31 HIS CE1 C 6.836 1.986 0.118 1.00 . A A . 31 HIS CE1 1 1 15 8709 1 1 31 HIS CG C 6.663 -0.109 -0.514 1.00 . A A . 31 HIS CG 1 1 15 8710 1 1 31 HIS H H 5.858 -1.099 -3.173 1.00 . A A . 31 HIS H 1 1 15 8711 1 1 31 HIS HA H 8.560 -0.622 -2.324 1.00 . A A . 31 HIS HA 1 1 15 8712 1 1 31 HIS HB2 H 6.221 -2.106 -1.079 1.00 . A A . 31 HIS HB2 1 1 15 8713 1 1 31 HIS HB3 H 7.776 -1.894 -0.261 1.00 . A A . 31 HIS HB3 1 1 15 8714 1 1 31 HIS HD1 H 8.554 0.914 -0.474 1.00 . A A . 31 HIS HD1 1 1 15 8715 1 1 31 HIS HD2 H 4.514 -0.159 -0.209 1.00 . A A . 31 HIS HD2 1 1 15 8716 1 1 31 HIS HE1 H 7.271 2.946 0.356 1.00 . A A . 31 HIS HE1 1 1 15 8717 1 1 31 HIS N N 6.843 -1.112 -3.406 1.00 . A A . 31 HIS N 1 1 15 8718 1 1 31 HIS ND1 N 7.556 0.937 -0.319 1.00 . A A . 31 HIS ND1 1 1 15 8719 1 1 31 HIS NE2 N 5.533 1.726 0.234 1.00 . A A . 31 HIS NE2 1 1 15 8720 1 1 31 HIS O O 9.708 -2.860 -2.481 1.00 . A A . 31 HIS O 1 1 15 8721 1 1 32 GLU C C 9.140 -4.993 -4.628 1.00 . A A . 32 GLU C 1 1 15 8722 1 1 32 GLU CA C 8.247 -5.060 -3.382 1.00 . A A . 32 GLU CA 1 1 15 8723 1 1 32 GLU CB C 7.081 -6.027 -3.601 1.00 . A A . 32 GLU CB 1 1 15 8724 1 1 32 GLU CD C 5.068 -7.071 -2.486 1.00 . A A . 32 GLU CD 1 1 15 8725 1 1 32 GLU CG C 6.322 -6.228 -2.282 1.00 . A A . 32 GLU CG 1 1 15 8726 1 1 32 GLU H H 6.720 -3.581 -3.174 1.00 . A A . 32 GLU H 1 1 15 8727 1 1 32 GLU HA H 8.845 -5.412 -2.540 1.00 . A A . 32 GLU HA 1 1 15 8728 1 1 32 GLU HB2 H 6.406 -5.616 -4.352 1.00 . A A . 32 GLU HB2 1 1 15 8729 1 1 32 GLU HB3 H 7.467 -6.988 -3.947 1.00 . A A . 32 GLU HB3 1 1 15 8730 1 1 32 GLU HG2 H 6.976 -6.729 -1.568 1.00 . A A . 32 GLU HG2 1 1 15 8731 1 1 32 GLU HG3 H 6.035 -5.258 -1.883 1.00 . A A . 32 GLU HG3 1 1 15 8732 1 1 32 GLU N N 7.716 -3.738 -3.066 1.00 . A A . 32 GLU N 1 1 15 8733 1 1 32 GLU O O 10.172 -5.659 -4.689 1.00 . A A . 32 GLU O 1 1 15 8734 1 1 32 GLU OE1 O 4.889 -7.571 -3.616 1.00 . A A . 32 GLU OE1 1 1 15 8735 1 1 32 GLU OE2 O 4.310 -7.196 -1.498 1.00 . A A . 32 GLU OE2 1 1 15 8736 1 1 33 MET C C 10.908 -3.600 -6.567 1.00 . A A . 33 MET C 1 1 15 8737 1 1 33 MET CA C 9.470 -4.027 -6.864 1.00 . A A . 33 MET CA 1 1 15 8738 1 1 33 MET CB C 8.742 -2.983 -7.723 1.00 . A A . 33 MET CB 1 1 15 8739 1 1 33 MET CE C 9.403 -2.030 -11.747 1.00 . A A . 33 MET CE 1 1 15 8740 1 1 33 MET CG C 9.363 -2.892 -9.118 1.00 . A A . 33 MET CG 1 1 15 8741 1 1 33 MET H H 7.879 -3.662 -5.505 1.00 . A A . 33 MET H 1 1 15 8742 1 1 33 MET HA H 9.480 -4.981 -7.393 1.00 . A A . 33 MET HA 1 1 15 8743 1 1 33 MET HB2 H 7.696 -3.269 -7.821 1.00 . A A . 33 MET HB2 1 1 15 8744 1 1 33 MET HB3 H 8.804 -2.009 -7.239 1.00 . A A . 33 MET HB3 1 1 15 8745 1 1 33 MET HE1 H 9.672 -3.063 -11.969 1.00 . A A . 33 MET HE1 1 1 15 8746 1 1 33 MET HE2 H 8.880 -1.600 -12.600 1.00 . A A . 33 MET HE2 1 1 15 8747 1 1 33 MET HE3 H 10.304 -1.454 -11.548 1.00 . A A . 33 MET HE3 1 1 15 8748 1 1 33 MET HG2 H 10.326 -2.389 -9.042 1.00 . A A . 33 MET HG2 1 1 15 8749 1 1 33 MET HG3 H 9.520 -3.900 -9.499 1.00 . A A . 33 MET HG3 1 1 15 8750 1 1 33 MET N N 8.733 -4.186 -5.617 1.00 . A A . 33 MET N 1 1 15 8751 1 1 33 MET O O 11.131 -2.611 -5.876 1.00 . A A . 33 MET O 1 1 15 8752 1 1 33 MET SD S 8.326 -1.983 -10.295 1.00 . A A . 33 MET SD 1 1 15 8753 1 1 34 THR C C 13.719 -2.841 -7.690 1.00 . A A . 34 THR C 1 1 15 8754 1 1 34 THR CA C 13.296 -4.063 -6.871 1.00 . A A . 34 THR CA 1 1 15 8755 1 1 34 THR CB C 14.121 -5.292 -7.267 1.00 . A A . 34 THR CB 1 1 15 8756 1 1 34 THR CG2 C 13.941 -6.394 -6.220 1.00 . A A . 34 THR CG2 1 1 15 8757 1 1 34 THR H H 11.645 -5.156 -7.654 1.00 . A A . 34 THR H 1 1 15 8758 1 1 34 THR HA H 13.458 -3.853 -5.813 1.00 . A A . 34 THR HA 1 1 15 8759 1 1 34 THR HB H 15.175 -5.018 -7.326 1.00 . A A . 34 THR HB 1 1 15 8760 1 1 34 THR HG1 H 14.228 -6.521 -8.770 1.00 . A A . 34 THR HG1 1 1 15 8761 1 1 34 THR HG21 H 14.276 -6.031 -5.249 1.00 . A A . 34 THR HG21 1 1 15 8762 1 1 34 THR HG22 H 12.889 -6.673 -6.161 1.00 . A A . 34 THR HG22 1 1 15 8763 1 1 34 THR HG23 H 14.532 -7.265 -6.505 1.00 . A A . 34 THR HG23 1 1 15 8764 1 1 34 THR N N 11.883 -4.352 -7.089 1.00 . A A . 34 THR N 1 1 15 8765 1 1 34 THR O O 14.546 -2.049 -7.242 1.00 . A A . 34 THR O 1 1 15 8766 1 1 34 THR OG1 O 13.687 -5.766 -8.526 1.00 . A A . 34 THR OG1 1 1 15 8767 1 1 35 LEU C C 12.639 -0.382 -9.309 1.00 . A A . 35 LEU C 1 1 15 8768 1 1 35 LEU CA C 13.442 -1.586 -9.775 1.00 . A A . 35 LEU CA 1 1 15 8769 1 1 35 LEU CB C 13.098 -1.968 -11.224 1.00 . A A . 35 LEU CB 1 1 15 8770 1 1 35 LEU CD1 C 14.566 -4.016 -11.197 1.00 . A A . 35 LEU CD1 1 1 15 8771 1 1 35 LEU CD2 C 13.965 -2.928 -13.363 1.00 . A A . 35 LEU CD2 1 1 15 8772 1 1 35 LEU CG C 14.288 -2.678 -11.888 1.00 . A A . 35 LEU CG 1 1 15 8773 1 1 35 LEU H H 12.473 -3.366 -9.191 1.00 . A A . 35 LEU H 1 1 15 8774 1 1 35 LEU HA H 14.505 -1.349 -9.711 1.00 . A A . 35 LEU HA 1 1 15 8775 1 1 35 LEU HB2 H 12.230 -2.630 -11.230 1.00 . A A . 35 LEU HB2 1 1 15 8776 1 1 35 LEU HB3 H 12.865 -1.066 -11.789 1.00 . A A . 35 LEU HB3 1 1 15 8777 1 1 35 LEU HD11 H 13.634 -4.571 -11.085 1.00 . A A . 35 LEU HD11 1 1 15 8778 1 1 35 LEU HD12 H 15.264 -4.598 -11.799 1.00 . A A . 35 LEU HD12 1 1 15 8779 1 1 35 LEU HD13 H 15.003 -3.836 -10.216 1.00 . A A . 35 LEU HD13 1 1 15 8780 1 1 35 LEU HD21 H 13.764 -1.978 -13.858 1.00 . A A . 35 LEU HD21 1 1 15 8781 1 1 35 LEU HD22 H 14.815 -3.414 -13.845 1.00 . A A . 35 LEU HD22 1 1 15 8782 1 1 35 LEU HD23 H 13.087 -3.571 -13.441 1.00 . A A . 35 LEU HD23 1 1 15 8783 1 1 35 LEU HG H 15.174 -2.044 -11.819 1.00 . A A . 35 LEU HG 1 1 15 8784 1 1 35 LEU N N 13.142 -2.695 -8.888 1.00 . A A . 35 LEU N 1 1 15 8785 1 1 35 LEU O O 11.670 0.023 -9.948 1.00 . A A . 35 LEU O 1 1 15 8786 1 1 36 LYS C C 12.225 2.442 -8.587 1.00 . A A . 36 LYS C 1 1 15 8787 1 1 36 LYS CA C 12.410 1.320 -7.568 1.00 . A A . 36 LYS CA 1 1 15 8788 1 1 36 LYS CB C 13.278 1.783 -6.398 1.00 . A A . 36 LYS CB 1 1 15 8789 1 1 36 LYS CD C 12.804 -0.074 -4.801 1.00 . A A . 36 LYS CD 1 1 15 8790 1 1 36 LYS CE C 11.940 -0.507 -3.617 1.00 . A A . 36 LYS CE 1 1 15 8791 1 1 36 LYS CG C 12.610 1.419 -5.071 1.00 . A A . 36 LYS CG 1 1 15 8792 1 1 36 LYS H H 13.865 -0.217 -7.709 1.00 . A A . 36 LYS H 1 1 15 8793 1 1 36 LYS HA H 11.431 1.016 -7.195 1.00 . A A . 36 LYS HA 1 1 15 8794 1 1 36 LYS HB2 H 14.249 1.288 -6.459 1.00 . A A . 36 LYS HB2 1 1 15 8795 1 1 36 LYS HB3 H 13.414 2.861 -6.450 1.00 . A A . 36 LYS HB3 1 1 15 8796 1 1 36 LYS HD2 H 12.517 -0.640 -5.684 1.00 . A A . 36 LYS HD2 1 1 15 8797 1 1 36 LYS HD3 H 13.855 -0.268 -4.575 1.00 . A A . 36 LYS HD3 1 1 15 8798 1 1 36 LYS HE2 H 12.263 0.022 -2.720 1.00 . A A . 36 LYS HE2 1 1 15 8799 1 1 36 LYS HE3 H 10.898 -0.259 -3.824 1.00 . A A . 36 LYS HE3 1 1 15 8800 1 1 36 LYS HG2 H 13.065 1.995 -4.266 1.00 . A A . 36 LYS HG2 1 1 15 8801 1 1 36 LYS HG3 H 11.544 1.649 -5.123 1.00 . A A . 36 LYS HG3 1 1 15 8802 1 1 36 LYS HZ1 H 11.846 -2.448 -4.257 1.00 . A A . 36 LYS HZ1 1 1 15 8803 1 1 36 LYS HZ2 H 12.990 -2.185 -3.093 1.00 . A A . 36 LYS HZ2 1 1 15 8804 1 1 36 LYS HZ3 H 11.390 -2.244 -2.681 1.00 . A A . 36 LYS HZ3 1 1 15 8805 1 1 36 LYS N N 13.058 0.176 -8.177 1.00 . A A . 36 LYS N 1 1 15 8806 1 1 36 LYS NZ N 12.053 -1.958 -3.393 1.00 . A A . 36 LYS NZ 1 1 15 8807 1 1 36 LYS O O 11.176 3.081 -8.616 1.00 . A A . 36 LYS O 1 1 15 8808 1 1 37 PHE C C 12.370 3.169 -11.639 1.00 . A A . 37 PHE C 1 1 15 8809 1 1 37 PHE CA C 13.178 3.701 -10.452 1.00 . A A . 37 PHE CA 1 1 15 8810 1 1 37 PHE CB C 14.602 4.093 -10.869 1.00 . A A . 37 PHE CB 1 1 15 8811 1 1 37 PHE CD1 C 14.400 6.602 -11.143 1.00 . A A . 37 PHE CD1 1 1 15 8812 1 1 37 PHE CD2 C 14.955 5.255 -13.095 1.00 . A A . 37 PHE CD2 1 1 15 8813 1 1 37 PHE CE1 C 14.447 7.763 -11.932 1.00 . A A . 37 PHE CE1 1 1 15 8814 1 1 37 PHE CE2 C 15.002 6.417 -13.883 1.00 . A A . 37 PHE CE2 1 1 15 8815 1 1 37 PHE CG C 14.654 5.345 -11.723 1.00 . A A . 37 PHE CG 1 1 15 8816 1 1 37 PHE CZ C 14.748 7.672 -13.302 1.00 . A A . 37 PHE CZ 1 1 15 8817 1 1 37 PHE H H 14.086 2.123 -9.351 1.00 . A A . 37 PHE H 1 1 15 8818 1 1 37 PHE HA H 12.675 4.579 -10.045 1.00 . A A . 37 PHE HA 1 1 15 8819 1 1 37 PHE HB2 H 15.193 4.266 -9.969 1.00 . A A . 37 PHE HB2 1 1 15 8820 1 1 37 PHE HB3 H 15.047 3.267 -11.425 1.00 . A A . 37 PHE HB3 1 1 15 8821 1 1 37 PHE HD1 H 14.169 6.674 -10.090 1.00 . A A . 37 PHE HD1 1 1 15 8822 1 1 37 PHE HD2 H 15.150 4.292 -13.545 1.00 . A A . 37 PHE HD2 1 1 15 8823 1 1 37 PHE HE1 H 14.252 8.728 -11.486 1.00 . A A . 37 PHE HE1 1 1 15 8824 1 1 37 PHE HE2 H 15.233 6.347 -14.936 1.00 . A A . 37 PHE HE2 1 1 15 8825 1 1 37 PHE HZ H 14.785 8.566 -13.908 1.00 . A A . 37 PHE HZ 1 1 15 8826 1 1 37 PHE N N 13.244 2.674 -9.424 1.00 . A A . 37 PHE N 1 1 15 8827 1 1 37 PHE O O 12.904 2.983 -12.731 1.00 . A A . 37 PHE O 1 1 15 8828 1 1 38 GLY C C 8.787 2.247 -11.873 1.00 . A A . 38 GLY C 1 1 15 8829 1 1 38 GLY CA C 10.191 2.414 -12.441 1.00 . A A . 38 GLY CA 1 1 15 8830 1 1 38 GLY H H 10.690 3.093 -10.490 1.00 . A A . 38 GLY H 1 1 15 8831 1 1 38 GLY HA2 H 10.162 3.114 -13.277 1.00 . A A . 38 GLY HA2 1 1 15 8832 1 1 38 GLY HA3 H 10.559 1.448 -12.791 1.00 . A A . 38 GLY HA3 1 1 15 8833 1 1 38 GLY N N 11.077 2.923 -11.413 1.00 . A A . 38 GLY N 1 1 15 8834 1 1 38 GLY O O 8.226 1.144 -12.062 1.00 . A A . 38 GLY O 1 1 15 8835 1 1 38 GLY OXT O 8.404 3.119 -11.057 1.00 . A A . 38 GLY OXT 1 1 16 8836 1 1 1 MET C C -13.772 9.509 7.554 1.00 . A A . 1 MET C 1 1 16 8837 1 1 1 MET CA C -13.846 10.581 8.639 1.00 . A A . 1 MET CA 1 1 16 8838 1 1 1 MET CB C -15.117 10.401 9.479 1.00 . A A . 1 MET CB 1 1 16 8839 1 1 1 MET CE C -16.075 12.383 13.040 1.00 . A A . 1 MET CE 1 1 16 8840 1 1 1 MET CG C -15.090 11.343 10.686 1.00 . A A . 1 MET CG 1 1 16 8841 1 1 1 MET H1 H -12.986 12.010 7.454 1.00 . A A . 1 MET H1 1 1 16 8842 1 1 1 MET H2 H -14.635 12.041 7.444 1.00 . A A . 1 MET H2 1 1 16 8843 1 1 1 MET H3 H -13.807 12.625 8.745 1.00 . A A . 1 MET H3 1 1 16 8844 1 1 1 MET HA H -12.978 10.477 9.290 1.00 . A A . 1 MET HA 1 1 16 8845 1 1 1 MET HB2 H -15.992 10.622 8.866 1.00 . A A . 1 MET HB2 1 1 16 8846 1 1 1 MET HB3 H -15.175 9.369 9.831 1.00 . A A . 1 MET HB3 1 1 16 8847 1 1 1 MET HE1 H -16.037 13.359 12.558 1.00 . A A . 1 MET HE1 1 1 16 8848 1 1 1 MET HE2 H -16.835 12.392 13.821 1.00 . A A . 1 MET HE2 1 1 16 8849 1 1 1 MET HE3 H -15.105 12.157 13.482 1.00 . A A . 1 MET HE3 1 1 16 8850 1 1 1 MET HG2 H -14.168 11.171 11.242 1.00 . A A . 1 MET HG2 1 1 16 8851 1 1 1 MET HG3 H -15.097 12.372 10.329 1.00 . A A . 1 MET HG3 1 1 16 8852 1 1 1 MET N N -13.816 11.921 8.024 1.00 . A A . 1 MET N 1 1 16 8853 1 1 1 MET O O -13.908 9.816 6.372 1.00 . A A . 1 MET O 1 1 16 8854 1 1 1 MET SD S -16.490 11.119 11.813 1.00 . A A . 1 MET SD 1 1 16 8855 1 1 2 SER C C -13.648 5.828 7.807 1.00 . A A . 2 SER C 1 1 16 8856 1 1 2 SER CA C -13.464 7.138 7.035 1.00 . A A . 2 SER CA 1 1 16 8857 1 1 2 SER CB C -12.108 7.183 6.312 1.00 . A A . 2 SER CB 1 1 16 8858 1 1 2 SER H H -13.449 8.061 8.949 1.00 . A A . 2 SER H 1 1 16 8859 1 1 2 SER HA H -14.262 7.225 6.296 1.00 . A A . 2 SER HA 1 1 16 8860 1 1 2 SER HB2 H -12.062 6.383 5.571 1.00 . A A . 2 SER HB2 1 1 16 8861 1 1 2 SER HB3 H -11.997 8.143 5.808 1.00 . A A . 2 SER HB3 1 1 16 8862 1 1 2 SER HG H -11.211 6.213 7.748 1.00 . A A . 2 SER HG 1 1 16 8863 1 1 2 SER N N -13.554 8.255 7.963 1.00 . A A . 2 SER N 1 1 16 8864 1 1 2 SER O O -14.210 5.831 8.902 1.00 . A A . 2 SER O 1 1 16 8865 1 1 2 SER OG O -11.056 7.022 7.246 1.00 . A A . 2 SER OG 1 1 16 8866 1 1 3 ASP C C -12.632 3.422 9.243 1.00 . A A . 3 ASP C 1 1 16 8867 1 1 3 ASP CA C -13.281 3.405 7.860 1.00 . A A . 3 ASP CA 1 1 16 8868 1 1 3 ASP CB C -12.591 2.363 6.969 1.00 . A A . 3 ASP CB 1 1 16 8869 1 1 3 ASP CG C -12.980 2.538 5.507 1.00 . A A . 3 ASP CG 1 1 16 8870 1 1 3 ASP H H -12.722 4.769 6.331 1.00 . A A . 3 ASP H 1 1 16 8871 1 1 3 ASP HA H -14.336 3.145 7.961 1.00 . A A . 3 ASP HA 1 1 16 8872 1 1 3 ASP HB2 H -11.510 2.473 7.064 1.00 . A A . 3 ASP HB2 1 1 16 8873 1 1 3 ASP HB3 H -12.877 1.363 7.300 1.00 . A A . 3 ASP HB3 1 1 16 8874 1 1 3 ASP N N -13.173 4.714 7.235 1.00 . A A . 3 ASP N 1 1 16 8875 1 1 3 ASP O O -11.693 4.183 9.482 1.00 . A A . 3 ASP O 1 1 16 8876 1 1 3 ASP OD1 O -12.446 3.490 4.889 1.00 . A A . 3 ASP OD1 1 1 16 8877 1 1 3 ASP OD2 O -13.799 1.723 5.034 1.00 . A A . 3 ASP OD2 1 1 16 8878 1 1 4 ASP C C -11.161 1.927 11.430 1.00 . A A . 4 ASP C 1 1 16 8879 1 1 4 ASP CA C -12.592 2.463 11.497 1.00 . A A . 4 ASP CA 1 1 16 8880 1 1 4 ASP CB C -13.483 1.533 12.324 1.00 . A A . 4 ASP CB 1 1 16 8881 1 1 4 ASP CG C -12.949 1.384 13.743 1.00 . A A . 4 ASP CG 1 1 16 8882 1 1 4 ASP H H -13.909 1.978 9.897 1.00 . A A . 4 ASP H 1 1 16 8883 1 1 4 ASP HA H -12.581 3.452 11.958 1.00 . A A . 4 ASP HA 1 1 16 8884 1 1 4 ASP HB2 H -14.491 1.947 12.365 1.00 . A A . 4 ASP HB2 1 1 16 8885 1 1 4 ASP HB3 H -13.519 0.552 11.849 1.00 . A A . 4 ASP HB3 1 1 16 8886 1 1 4 ASP N N -13.133 2.572 10.148 1.00 . A A . 4 ASP N 1 1 16 8887 1 1 4 ASP O O -10.295 2.364 12.184 1.00 . A A . 4 ASP O 1 1 16 8888 1 1 4 ASP OD1 O -12.980 2.396 14.472 1.00 . A A . 4 ASP OD1 1 1 16 8889 1 1 4 ASP OD2 O -12.518 0.255 14.073 1.00 . A A . 4 ASP OD2 1 1 16 8890 1 1 5 LYS C C -9.257 0.462 8.818 1.00 . A A . 5 LYS C 1 1 16 8891 1 1 5 LYS CA C -9.609 0.386 10.308 1.00 . A A . 5 LYS CA 1 1 16 8892 1 1 5 LYS CB C -9.625 -1.068 10.794 1.00 . A A . 5 LYS CB 1 1 16 8893 1 1 5 LYS CD C -9.865 -2.545 12.803 1.00 . A A . 5 LYS CD 1 1 16 8894 1 1 5 LYS CE C -10.119 -2.576 14.315 1.00 . A A . 5 LYS CE 1 1 16 8895 1 1 5 LYS CG C -9.959 -1.107 12.289 1.00 . A A . 5 LYS CG 1 1 16 8896 1 1 5 LYS H H -11.681 0.657 9.926 1.00 . A A . 5 LYS H 1 1 16 8897 1 1 5 LYS HA H -8.865 0.939 10.880 1.00 . A A . 5 LYS HA 1 1 16 8898 1 1 5 LYS HB2 H -10.378 -1.630 10.241 1.00 . A A . 5 LYS HB2 1 1 16 8899 1 1 5 LYS HB3 H -8.645 -1.516 10.630 1.00 . A A . 5 LYS HB3 1 1 16 8900 1 1 5 LYS HD2 H -10.607 -3.163 12.295 1.00 . A A . 5 LYS HD2 1 1 16 8901 1 1 5 LYS HD3 H -8.867 -2.938 12.598 1.00 . A A . 5 LYS HD3 1 1 16 8902 1 1 5 LYS HE2 H -9.958 -3.591 14.683 1.00 . A A . 5 LYS HE2 1 1 16 8903 1 1 5 LYS HE3 H -9.419 -1.903 14.811 1.00 . A A . 5 LYS HE3 1 1 16 8904 1 1 5 LYS HG2 H -9.254 -0.478 12.834 1.00 . A A . 5 LYS HG2 1 1 16 8905 1 1 5 LYS HG3 H -10.969 -0.733 12.440 1.00 . A A . 5 LYS HG3 1 1 16 8906 1 1 5 LYS HZ1 H -12.153 -2.758 14.152 1.00 . A A . 5 LYS HZ1 1 1 16 8907 1 1 5 LYS HZ2 H -11.651 -2.236 15.632 1.00 . A A . 5 LYS HZ2 1 1 16 8908 1 1 5 LYS HZ3 H -11.644 -1.198 14.347 1.00 . A A . 5 LYS HZ3 1 1 16 8909 1 1 5 LYS N N -10.924 0.978 10.510 1.00 . A A . 5 LYS N 1 1 16 8910 1 1 5 LYS NZ N -11.499 -2.162 14.637 1.00 . A A . 5 LYS NZ 1 1 16 8911 1 1 5 LYS O O -9.446 -0.512 8.089 1.00 . A A . 5 LYS O 1 1 16 8912 1 1 6 PRO C C -7.225 0.955 6.550 1.00 . A A . 6 PRO C 1 1 16 8913 1 1 6 PRO CA C -8.406 1.834 6.966 1.00 . A A . 6 PRO CA 1 1 16 8914 1 1 6 PRO CB C -8.060 3.319 6.841 1.00 . A A . 6 PRO CB 1 1 16 8915 1 1 6 PRO CD C -8.517 2.782 9.195 1.00 . A A . 6 PRO CD 1 1 16 8916 1 1 6 PRO CG C -8.137 3.919 8.250 1.00 . A A . 6 PRO CG 1 1 16 8917 1 1 6 PRO HA H -9.268 1.605 6.337 1.00 . A A . 6 PRO HA 1 1 16 8918 1 1 6 PRO HB2 H -7.055 3.433 6.444 1.00 . A A . 6 PRO HB2 1 1 16 8919 1 1 6 PRO HB3 H -8.778 3.813 6.185 1.00 . A A . 6 PRO HB3 1 1 16 8920 1 1 6 PRO HD2 H -7.699 2.584 9.889 1.00 . A A . 6 PRO HD2 1 1 16 8921 1 1 6 PRO HD3 H -9.419 3.042 9.743 1.00 . A A . 6 PRO HD3 1 1 16 8922 1 1 6 PRO HG2 H -7.169 4.332 8.534 1.00 . A A . 6 PRO HG2 1 1 16 8923 1 1 6 PRO HG3 H -8.899 4.699 8.282 1.00 . A A . 6 PRO HG3 1 1 16 8924 1 1 6 PRO N N -8.752 1.625 8.357 1.00 . A A . 6 PRO N 1 1 16 8925 1 1 6 PRO O O -6.643 0.247 7.373 1.00 . A A . 6 PRO O 1 1 16 8926 1 1 7 PHE C C -4.483 0.991 4.842 1.00 . A A . 7 PHE C 1 1 16 8927 1 1 7 PHE CA C -5.788 0.214 4.714 1.00 . A A . 7 PHE CA 1 1 16 8928 1 1 7 PHE CB C -6.095 -0.112 3.247 1.00 . A A . 7 PHE CB 1 1 16 8929 1 1 7 PHE CD1 C -8.602 -0.053 2.900 1.00 . A A . 7 PHE CD1 1 1 16 8930 1 1 7 PHE CD2 C -7.490 -2.214 3.038 1.00 . A A . 7 PHE CD2 1 1 16 8931 1 1 7 PHE CE1 C -9.837 -0.698 2.726 1.00 . A A . 7 PHE CE1 1 1 16 8932 1 1 7 PHE CE2 C -8.726 -2.859 2.863 1.00 . A A . 7 PHE CE2 1 1 16 8933 1 1 7 PHE CG C -7.426 -0.810 3.055 1.00 . A A . 7 PHE CG 1 1 16 8934 1 1 7 PHE CZ C -9.900 -2.101 2.706 1.00 . A A . 7 PHE CZ 1 1 16 8935 1 1 7 PHE H H -7.378 1.619 4.630 1.00 . A A . 7 PHE H 1 1 16 8936 1 1 7 PHE HA H -5.706 -0.719 5.273 1.00 . A A . 7 PHE HA 1 1 16 8937 1 1 7 PHE HB2 H -6.102 0.815 2.673 1.00 . A A . 7 PHE HB2 1 1 16 8938 1 1 7 PHE HB3 H -5.306 -0.754 2.860 1.00 . A A . 7 PHE HB3 1 1 16 8939 1 1 7 PHE HD1 H -8.556 1.025 2.917 1.00 . A A . 7 PHE HD1 1 1 16 8940 1 1 7 PHE HD2 H -6.590 -2.798 3.159 1.00 . A A . 7 PHE HD2 1 1 16 8941 1 1 7 PHE HE1 H -10.739 -0.116 2.607 1.00 . A A . 7 PHE HE1 1 1 16 8942 1 1 7 PHE HE2 H -8.776 -3.939 2.850 1.00 . A A . 7 PHE HE2 1 1 16 8943 1 1 7 PHE HZ H -10.850 -2.598 2.572 1.00 . A A . 7 PHE HZ 1 1 16 8944 1 1 7 PHE N N -6.875 1.007 5.259 1.00 . A A . 7 PHE N 1 1 16 8945 1 1 7 PHE O O -4.127 1.755 3.947 1.00 . A A . 7 PHE O 1 1 16 8946 1 1 8 LEU C C -1.344 0.560 5.893 1.00 . A A . 8 LEU C 1 1 16 8947 1 1 8 LEU CA C -2.515 1.485 6.219 1.00 . A A . 8 LEU CA 1 1 16 8948 1 1 8 LEU CB C -2.479 1.932 7.687 1.00 . A A . 8 LEU CB 1 1 16 8949 1 1 8 LEU CD1 C -1.786 4.013 8.903 1.00 . A A . 8 LEU CD1 1 1 16 8950 1 1 8 LEU CD2 C -0.106 2.219 8.474 1.00 . A A . 8 LEU CD2 1 1 16 8951 1 1 8 LEU CG C -1.335 2.938 7.911 1.00 . A A . 8 LEU CG 1 1 16 8952 1 1 8 LEU H H -4.118 0.154 6.663 1.00 . A A . 8 LEU H 1 1 16 8953 1 1 8 LEU HA H -2.456 2.365 5.585 1.00 . A A . 8 LEU HA 1 1 16 8954 1 1 8 LEU HB2 H -3.429 2.408 7.937 1.00 . A A . 8 LEU HB2 1 1 16 8955 1 1 8 LEU HB3 H -2.336 1.064 8.331 1.00 . A A . 8 LEU HB3 1 1 16 8956 1 1 8 LEU HD11 H -2.068 3.544 9.846 1.00 . A A . 8 LEU HD11 1 1 16 8957 1 1 8 LEU HD12 H -0.970 4.715 9.076 1.00 . A A . 8 LEU HD12 1 1 16 8958 1 1 8 LEU HD13 H -2.644 4.549 8.495 1.00 . A A . 8 LEU HD13 1 1 16 8959 1 1 8 LEU HD21 H -0.366 1.732 9.414 1.00 . A A . 8 LEU HD21 1 1 16 8960 1 1 8 LEU HD22 H 0.239 1.473 7.763 1.00 . A A . 8 LEU HD22 1 1 16 8961 1 1 8 LEU HD23 H 0.690 2.944 8.650 1.00 . A A . 8 LEU HD23 1 1 16 8962 1 1 8 LEU HG H -1.074 3.412 6.964 1.00 . A A . 8 LEU HG 1 1 16 8963 1 1 8 LEU N N -3.774 0.797 5.963 1.00 . A A . 8 LEU N 1 1 16 8964 1 1 8 LEU O O -1.189 -0.492 6.514 1.00 . A A . 8 LEU O 1 1 16 8965 1 1 9 CYS C C 1.735 0.307 5.588 1.00 . A A . 9 CYS C 1 1 16 8966 1 1 9 CYS CA C 0.651 0.172 4.528 1.00 . A A . 9 CYS CA 1 1 16 8967 1 1 9 CYS CB C 1.184 0.662 3.181 1.00 . A A . 9 CYS CB 1 1 16 8968 1 1 9 CYS H H -0.692 1.825 4.431 1.00 . A A . 9 CYS H 1 1 16 8969 1 1 9 CYS HA H 0.365 -0.878 4.434 1.00 . A A . 9 CYS HA 1 1 16 8970 1 1 9 CYS HB2 H 0.446 0.474 2.405 1.00 . A A . 9 CYS HB2 1 1 16 8971 1 1 9 CYS HB3 H 1.395 1.733 3.234 1.00 . A A . 9 CYS HB3 1 1 16 8972 1 1 9 CYS N N -0.514 0.955 4.918 1.00 . A A . 9 CYS N 1 1 16 8973 1 1 9 CYS O O 2.587 1.186 5.488 1.00 . A A . 9 CYS O 1 1 16 8974 1 1 9 CYS SG S 2.711 -0.244 2.805 1.00 . A A . 9 CYS SG 1 1 16 8975 1 1 10 THR C C 4.095 -0.789 7.025 1.00 . A A . 10 THR C 1 1 16 8976 1 1 10 THR CA C 2.716 -0.540 7.645 1.00 . A A . 10 THR CA 1 1 16 8977 1 1 10 THR CB C 2.374 -1.584 8.724 1.00 . A A . 10 THR CB 1 1 16 8978 1 1 10 THR CG2 C 2.437 -3.006 8.152 1.00 . A A . 10 THR CG2 1 1 16 8979 1 1 10 THR H H 0.983 -1.266 6.642 1.00 . A A . 10 THR H 1 1 16 8980 1 1 10 THR HA H 2.712 0.449 8.106 1.00 . A A . 10 THR HA 1 1 16 8981 1 1 10 THR HB H 1.368 -1.394 9.099 1.00 . A A . 10 THR HB 1 1 16 8982 1 1 10 THR HG1 H 3.142 -0.635 10.238 1.00 . A A . 10 THR HG1 1 1 16 8983 1 1 10 THR HG21 H 1.882 -3.052 7.216 1.00 . A A . 10 THR HG21 1 1 16 8984 1 1 10 THR HG22 H 3.475 -3.284 7.974 1.00 . A A . 10 THR HG22 1 1 16 8985 1 1 10 THR HG23 H 1.996 -3.701 8.867 1.00 . A A . 10 THR HG23 1 1 16 8986 1 1 10 THR N N 1.712 -0.566 6.598 1.00 . A A . 10 THR N 1 1 16 8987 1 1 10 THR O O 4.273 -1.733 6.253 1.00 . A A . 10 THR O 1 1 16 8988 1 1 10 THR OG1 O 3.291 -1.472 9.792 1.00 . A A . 10 THR OG1 1 1 16 8989 1 1 11 ALA C C 7.343 0.842 7.669 1.00 . A A . 11 ALA C 1 1 16 8990 1 1 11 ALA CA C 6.413 -0.044 6.835 1.00 . A A . 11 ALA CA 1 1 16 8991 1 1 11 ALA CB C 6.425 0.371 5.355 1.00 . A A . 11 ALA CB 1 1 16 8992 1 1 11 ALA H H 4.862 0.833 7.985 1.00 . A A . 11 ALA H 1 1 16 8993 1 1 11 ALA HA H 6.739 -1.081 6.918 1.00 . A A . 11 ALA HA 1 1 16 8994 1 1 11 ALA HB1 H 5.469 0.825 5.093 1.00 . A A . 11 ALA HB1 1 1 16 8995 1 1 11 ALA HB2 H 7.225 1.091 5.183 1.00 . A A . 11 ALA HB2 1 1 16 8996 1 1 11 ALA HB3 H 6.590 -0.508 4.733 1.00 . A A . 11 ALA HB3 1 1 16 8997 1 1 11 ALA N N 5.063 0.070 7.354 1.00 . A A . 11 ALA N 1 1 16 8998 1 1 11 ALA O O 6.870 1.705 8.407 1.00 . A A . 11 ALA O 1 1 16 8999 1 1 12 PRO C C 9.655 2.855 7.854 1.00 . A A . 12 PRO C 1 1 16 9000 1 1 12 PRO CA C 9.644 1.396 8.309 1.00 . A A . 12 PRO CA 1 1 16 9001 1 1 12 PRO CB C 10.989 0.717 8.031 1.00 . A A . 12 PRO CB 1 1 16 9002 1 1 12 PRO CD C 9.255 -0.377 6.700 1.00 . A A . 12 PRO CD 1 1 16 9003 1 1 12 PRO CG C 10.764 -0.188 6.818 1.00 . A A . 12 PRO CG 1 1 16 9004 1 1 12 PRO HA H 9.419 1.344 9.376 1.00 . A A . 12 PRO HA 1 1 16 9005 1 1 12 PRO HB2 H 11.758 1.460 7.815 1.00 . A A . 12 PRO HB2 1 1 16 9006 1 1 12 PRO HB3 H 11.285 0.115 8.892 1.00 . A A . 12 PRO HB3 1 1 16 9007 1 1 12 PRO HD2 H 8.939 -0.233 5.669 1.00 . A A . 12 PRO HD2 1 1 16 9008 1 1 12 PRO HD3 H 8.975 -1.374 7.044 1.00 . A A . 12 PRO HD3 1 1 16 9009 1 1 12 PRO HG2 H 11.144 0.299 5.919 1.00 . A A . 12 PRO HG2 1 1 16 9010 1 1 12 PRO HG3 H 11.259 -1.149 6.963 1.00 . A A . 12 PRO HG3 1 1 16 9011 1 1 12 PRO N N 8.667 0.631 7.561 1.00 . A A . 12 PRO N 1 1 16 9012 1 1 12 PRO O O 9.266 3.743 8.607 1.00 . A A . 12 PRO O 1 1 16 9013 1 1 13 GLY C C 8.975 4.799 5.241 1.00 . A A . 13 GLY C 1 1 16 9014 1 1 13 GLY CA C 10.208 4.443 6.071 1.00 . A A . 13 GLY CA 1 1 16 9015 1 1 13 GLY H H 10.403 2.325 6.035 1.00 . A A . 13 GLY H 1 1 16 9016 1 1 13 GLY HA2 H 10.307 5.158 6.888 1.00 . A A . 13 GLY HA2 1 1 16 9017 1 1 13 GLY HA3 H 11.093 4.505 5.436 1.00 . A A . 13 GLY HA3 1 1 16 9018 1 1 13 GLY N N 10.109 3.095 6.615 1.00 . A A . 13 GLY N 1 1 16 9019 1 1 13 GLY O O 9.064 5.612 4.325 1.00 . A A . 13 GLY O 1 1 16 9020 1 1 14 CYS C C 5.378 4.071 5.655 1.00 . A A . 14 CYS C 1 1 16 9021 1 1 14 CYS CA C 6.588 4.497 4.834 1.00 . A A . 14 CYS CA 1 1 16 9022 1 1 14 CYS CB C 6.593 3.775 3.487 1.00 . A A . 14 CYS CB 1 1 16 9023 1 1 14 CYS H H 7.790 3.522 6.308 1.00 . A A . 14 CYS H 1 1 16 9024 1 1 14 CYS HA H 6.534 5.571 4.657 1.00 . A A . 14 CYS HA 1 1 16 9025 1 1 14 CYS HB2 H 7.485 4.050 2.925 1.00 . A A . 14 CYS HB2 1 1 16 9026 1 1 14 CYS HB3 H 6.580 2.700 3.652 1.00 . A A . 14 CYS HB3 1 1 16 9027 1 1 14 CYS N N 7.820 4.199 5.554 1.00 . A A . 14 CYS N 1 1 16 9028 1 1 14 CYS O O 5.411 3.043 6.318 1.00 . A A . 14 CYS O 1 1 16 9029 1 1 14 CYS SG S 5.117 4.268 2.561 1.00 . A A . 14 CYS SG 1 1 16 9030 1 1 15 GLY C C 1.894 5.231 5.614 1.00 . A A . 15 GLY C 1 1 16 9031 1 1 15 GLY CA C 3.075 4.568 6.312 1.00 . A A . 15 GLY CA 1 1 16 9032 1 1 15 GLY H H 4.335 5.710 5.041 1.00 . A A . 15 GLY H 1 1 16 9033 1 1 15 GLY HA2 H 2.919 3.490 6.337 1.00 . A A . 15 GLY HA2 1 1 16 9034 1 1 15 GLY HA3 H 3.150 4.944 7.333 1.00 . A A . 15 GLY HA3 1 1 16 9035 1 1 15 GLY N N 4.304 4.868 5.597 1.00 . A A . 15 GLY N 1 1 16 9036 1 1 15 GLY O O 1.106 5.923 6.253 1.00 . A A . 15 GLY O 1 1 16 9037 1 1 16 GLN C C -0.586 4.826 3.745 1.00 . A A . 16 GLN C 1 1 16 9038 1 1 16 GLN CA C 0.698 5.619 3.521 1.00 . A A . 16 GLN CA 1 1 16 9039 1 1 16 GLN CB C 1.088 5.651 2.040 1.00 . A A . 16 GLN CB 1 1 16 9040 1 1 16 GLN CD C 0.690 6.864 -0.142 1.00 . A A . 16 GLN CD 1 1 16 9041 1 1 16 GLN CG C 0.217 6.673 1.298 1.00 . A A . 16 GLN CG 1 1 16 9042 1 1 16 GLN H H 2.441 4.441 3.810 1.00 . A A . 16 GLN H 1 1 16 9043 1 1 16 GLN HA H 0.545 6.640 3.865 1.00 . A A . 16 GLN HA 1 1 16 9044 1 1 16 GLN HB2 H 2.136 5.940 1.951 1.00 . A A . 16 GLN HB2 1 1 16 9045 1 1 16 GLN HB3 H 0.947 4.662 1.604 1.00 . A A . 16 GLN HB3 1 1 16 9046 1 1 16 GLN HE21 H -0.859 8.124 -0.528 1.00 . A A . 16 GLN HE21 1 1 16 9047 1 1 16 GLN HE22 H 0.234 7.841 -1.865 1.00 . A A . 16 GLN HE22 1 1 16 9048 1 1 16 GLN HG2 H -0.816 6.326 1.290 1.00 . A A . 16 GLN HG2 1 1 16 9049 1 1 16 GLN HG3 H 0.267 7.631 1.816 1.00 . A A . 16 GLN HG3 1 1 16 9050 1 1 16 GLN N N 1.774 5.023 4.292 1.00 . A A . 16 GLN N 1 1 16 9051 1 1 16 GLN NE2 N -0.039 7.676 -0.907 1.00 . A A . 16 GLN NE2 1 1 16 9052 1 1 16 GLN O O -0.543 3.604 3.908 1.00 . A A . 16 GLN O 1 1 16 9053 1 1 16 GLN OE1 O 1.694 6.289 -0.554 1.00 . A A . 16 GLN OE1 1 1 16 9054 1 1 17 ARG C C -3.955 5.187 2.846 1.00 . A A . 17 ARG C 1 1 16 9055 1 1 17 ARG CA C -3.022 4.916 4.013 1.00 . A A . 17 ARG CA 1 1 16 9056 1 1 17 ARG CB C -3.597 5.481 5.316 1.00 . A A . 17 ARG CB 1 1 16 9057 1 1 17 ARG CD C -6.107 5.677 5.165 1.00 . A A . 17 ARG CD 1 1 16 9058 1 1 17 ARG CG C -4.936 4.808 5.648 1.00 . A A . 17 ARG CG 1 1 16 9059 1 1 17 ARG CZ C -7.899 6.852 6.420 1.00 . A A . 17 ARG CZ 1 1 16 9060 1 1 17 ARG H H -1.694 6.523 3.601 1.00 . A A . 17 ARG H 1 1 16 9061 1 1 17 ARG HA H -2.899 3.843 4.118 1.00 . A A . 17 ARG HA 1 1 16 9062 1 1 17 ARG HB2 H -2.894 5.289 6.125 1.00 . A A . 17 ARG HB2 1 1 16 9063 1 1 17 ARG HB3 H -3.741 6.554 5.214 1.00 . A A . 17 ARG HB3 1 1 16 9064 1 1 17 ARG HD2 H -5.784 6.301 4.334 1.00 . A A . 17 ARG HD2 1 1 16 9065 1 1 17 ARG HD3 H -6.912 5.024 4.828 1.00 . A A . 17 ARG HD3 1 1 16 9066 1 1 17 ARG HE H -5.917 6.903 6.901 1.00 . A A . 17 ARG HE 1 1 16 9067 1 1 17 ARG HG2 H -4.986 3.833 5.162 1.00 . A A . 17 ARG HG2 1 1 16 9068 1 1 17 ARG HG3 H -5.012 4.670 6.728 1.00 . A A . 17 ARG HG3 1 1 16 9069 1 1 17 ARG HH11 H -8.514 6.115 4.617 1.00 . A A . 17 ARG HH11 1 1 16 9070 1 1 17 ARG HH12 H -9.788 6.707 5.659 1.00 . A A . 17 ARG HH12 1 1 16 9071 1 1 17 ARG HH21 H -7.611 7.764 8.224 1.00 . A A . 17 ARG HH21 1 1 16 9072 1 1 17 ARG HH22 H -9.274 7.693 7.675 1.00 . A A . 17 ARG HH22 1 1 16 9073 1 1 17 ARG N N -1.725 5.528 3.763 1.00 . A A . 17 ARG N 1 1 16 9074 1 1 17 ARG NE N -6.599 6.537 6.252 1.00 . A A . 17 ARG NE 1 1 16 9075 1 1 17 ARG NH1 N -8.806 6.532 5.488 1.00 . A A . 17 ARG NH1 1 1 16 9076 1 1 17 ARG NH2 N -8.291 7.488 7.529 1.00 . A A . 17 ARG NH2 1 1 16 9077 1 1 17 ARG O O -3.862 6.230 2.200 1.00 . A A . 17 ARG O 1 1 16 9078 1 1 18 PHE C C -7.169 3.836 1.967 1.00 . A A . 18 PHE C 1 1 16 9079 1 1 18 PHE CA C -5.809 4.341 1.497 1.00 . A A . 18 PHE CA 1 1 16 9080 1 1 18 PHE CB C -5.304 3.527 0.303 1.00 . A A . 18 PHE CB 1 1 16 9081 1 1 18 PHE CD1 C -2.874 3.030 0.804 1.00 . A A . 18 PHE CD1 1 1 16 9082 1 1 18 PHE CD2 C -3.397 4.616 -0.966 1.00 . A A . 18 PHE CD2 1 1 16 9083 1 1 18 PHE CE1 C -1.505 3.228 0.579 1.00 . A A . 18 PHE CE1 1 1 16 9084 1 1 18 PHE CE2 C -2.024 4.810 -1.192 1.00 . A A . 18 PHE CE2 1 1 16 9085 1 1 18 PHE CG C -3.824 3.724 0.033 1.00 . A A . 18 PHE CG 1 1 16 9086 1 1 18 PHE CZ C -1.079 4.115 -0.417 1.00 . A A . 18 PHE CZ 1 1 16 9087 1 1 18 PHE H H -4.876 3.396 3.157 1.00 . A A . 18 PHE H 1 1 16 9088 1 1 18 PHE HA H -5.903 5.386 1.200 1.00 . A A . 18 PHE HA 1 1 16 9089 1 1 18 PHE HB2 H -5.483 2.468 0.498 1.00 . A A . 18 PHE HB2 1 1 16 9090 1 1 18 PHE HB3 H -5.866 3.819 -0.582 1.00 . A A . 18 PHE HB3 1 1 16 9091 1 1 18 PHE HD1 H -3.201 2.354 1.578 1.00 . A A . 18 PHE HD1 1 1 16 9092 1 1 18 PHE HD2 H -4.123 5.157 -1.555 1.00 . A A . 18 PHE HD2 1 1 16 9093 1 1 18 PHE HE1 H -0.777 2.700 1.177 1.00 . A A . 18 PHE HE1 1 1 16 9094 1 1 18 PHE HE2 H -1.694 5.497 -1.958 1.00 . A A . 18 PHE HE2 1 1 16 9095 1 1 18 PHE HZ H -0.027 4.271 -0.581 1.00 . A A . 18 PHE HZ 1 1 16 9096 1 1 18 PHE N N -4.854 4.234 2.583 1.00 . A A . 18 PHE N 1 1 16 9097 1 1 18 PHE O O -7.258 3.135 2.975 1.00 . A A . 18 PHE O 1 1 16 9098 1 1 19 THR C C -9.941 2.480 0.863 1.00 . A A . 19 THR C 1 1 16 9099 1 1 19 THR CA C -9.585 3.797 1.567 1.00 . A A . 19 THR CA 1 1 16 9100 1 1 19 THR CB C -10.551 4.917 1.148 1.00 . A A . 19 THR CB 1 1 16 9101 1 1 19 THR CG2 C -11.792 4.902 2.044 1.00 . A A . 19 THR CG2 1 1 16 9102 1 1 19 THR H H -8.088 4.777 0.416 1.00 . A A . 19 THR H 1 1 16 9103 1 1 19 THR HA H -9.658 3.653 2.646 1.00 . A A . 19 THR HA 1 1 16 9104 1 1 19 THR HB H -10.851 4.768 0.109 1.00 . A A . 19 THR HB 1 1 16 9105 1 1 19 THR HG1 H -10.510 6.854 0.965 1.00 . A A . 19 THR HG1 1 1 16 9106 1 1 19 THR HG21 H -12.276 3.927 1.985 1.00 . A A . 19 THR HG21 1 1 16 9107 1 1 19 THR HG22 H -11.499 5.099 3.074 1.00 . A A . 19 THR HG22 1 1 16 9108 1 1 19 THR HG23 H -12.489 5.671 1.712 1.00 . A A . 19 THR HG23 1 1 16 9109 1 1 19 THR N N -8.224 4.199 1.233 1.00 . A A . 19 THR N 1 1 16 9110 1 1 19 THR O O -11.071 2.011 0.972 1.00 . A A . 19 THR O 1 1 16 9111 1 1 19 THR OG1 O -9.908 6.171 1.273 1.00 . A A . 19 THR OG1 1 1 16 9112 1 1 20 ASN C C -7.950 -0.220 -0.550 1.00 . A A . 20 ASN C 1 1 16 9113 1 1 20 ASN CA C -9.207 0.640 -0.586 1.00 . A A . 20 ASN CA 1 1 16 9114 1 1 20 ASN CB C -9.585 0.951 -2.038 1.00 . A A . 20 ASN CB 1 1 16 9115 1 1 20 ASN CG C -10.887 1.738 -2.118 1.00 . A A . 20 ASN CG 1 1 16 9116 1 1 20 ASN H H -8.063 2.303 0.081 1.00 . A A . 20 ASN H 1 1 16 9117 1 1 20 ASN HA H -10.025 0.092 -0.113 1.00 . A A . 20 ASN HA 1 1 16 9118 1 1 20 ASN HB2 H -8.787 1.532 -2.498 1.00 . A A . 20 ASN HB2 1 1 16 9119 1 1 20 ASN HB3 H -9.701 0.014 -2.586 1.00 . A A . 20 ASN HB3 1 1 16 9120 1 1 20 ASN HD21 H -11.979 0.024 -2.042 1.00 . A A . 20 ASN HD21 1 1 16 9121 1 1 20 ASN HD22 H -12.906 1.505 -2.137 1.00 . A A . 20 ASN HD22 1 1 16 9122 1 1 20 ASN N N -8.978 1.885 0.137 1.00 . A A . 20 ASN N 1 1 16 9123 1 1 20 ASN ND2 N -12.017 1.032 -2.097 1.00 . A A . 20 ASN ND2 1 1 16 9124 1 1 20 ASN O O -6.835 0.302 -0.465 1.00 . A A . 20 ASN O 1 1 16 9125 1 1 20 ASN OD1 O -10.869 2.965 -2.197 1.00 . A A . 20 ASN OD1 1 1 16 9126 1 1 21 GLU C C -6.352 -2.441 -2.024 1.00 . A A . 21 GLU C 1 1 16 9127 1 1 21 GLU CA C -7.031 -2.482 -0.651 1.00 . A A . 21 GLU CA 1 1 16 9128 1 1 21 GLU CB C -7.517 -3.911 -0.311 1.00 . A A . 21 GLU CB 1 1 16 9129 1 1 21 GLU CD C -9.281 -3.831 -2.140 1.00 . A A . 21 GLU CD 1 1 16 9130 1 1 21 GLU CG C -9.000 -4.133 -0.673 1.00 . A A . 21 GLU CG 1 1 16 9131 1 1 21 GLU H H -9.073 -1.906 -0.689 1.00 . A A . 21 GLU H 1 1 16 9132 1 1 21 GLU HA H -6.302 -2.181 0.102 1.00 . A A . 21 GLU HA 1 1 16 9133 1 1 21 GLU HB2 H -6.906 -4.635 -0.853 1.00 . A A . 21 GLU HB2 1 1 16 9134 1 1 21 GLU HB3 H -7.394 -4.076 0.755 1.00 . A A . 21 GLU HB3 1 1 16 9135 1 1 21 GLU HG2 H -9.255 -5.174 -0.477 1.00 . A A . 21 GLU HG2 1 1 16 9136 1 1 21 GLU HG3 H -9.627 -3.499 -0.046 1.00 . A A . 21 GLU HG3 1 1 16 9137 1 1 21 GLU N N -8.136 -1.540 -0.630 1.00 . A A . 21 GLU N 1 1 16 9138 1 1 21 GLU O O -5.166 -2.733 -2.134 1.00 . A A . 21 GLU O 1 1 16 9139 1 1 21 GLU OE1 O -8.934 -4.695 -2.973 1.00 . A A . 21 GLU OE1 1 1 16 9140 1 1 21 GLU OE2 O -9.837 -2.740 -2.400 1.00 . A A . 21 GLU OE2 1 1 16 9141 1 1 22 ASP C C -5.418 -0.972 -4.446 1.00 . A A . 22 ASP C 1 1 16 9142 1 1 22 ASP CA C -6.578 -1.963 -4.416 1.00 . A A . 22 ASP CA 1 1 16 9143 1 1 22 ASP CB C -7.694 -1.498 -5.348 1.00 . A A . 22 ASP CB 1 1 16 9144 1 1 22 ASP CG C -7.169 -1.288 -6.762 1.00 . A A . 22 ASP CG 1 1 16 9145 1 1 22 ASP H H -8.085 -1.849 -2.918 1.00 . A A . 22 ASP H 1 1 16 9146 1 1 22 ASP HA H -6.223 -2.942 -4.741 1.00 . A A . 22 ASP HA 1 1 16 9147 1 1 22 ASP HB2 H -8.484 -2.248 -5.364 1.00 . A A . 22 ASP HB2 1 1 16 9148 1 1 22 ASP HB3 H -8.101 -0.557 -4.974 1.00 . A A . 22 ASP HB3 1 1 16 9149 1 1 22 ASP N N -7.107 -2.067 -3.066 1.00 . A A . 22 ASP N 1 1 16 9150 1 1 22 ASP O O -4.359 -1.260 -5.001 1.00 . A A . 22 ASP O 1 1 16 9151 1 1 22 ASP OD1 O -7.114 -2.293 -7.503 1.00 . A A . 22 ASP OD1 1 1 16 9152 1 1 22 ASP OD2 O -6.829 -0.127 -7.076 1.00 . A A . 22 ASP OD2 1 1 16 9153 1 1 23 HIS C C -3.421 0.751 -2.965 1.00 . A A . 23 HIS C 1 1 16 9154 1 1 23 HIS CA C -4.600 1.230 -3.806 1.00 . A A . 23 HIS CA 1 1 16 9155 1 1 23 HIS CB C -5.193 2.514 -3.229 1.00 . A A . 23 HIS CB 1 1 16 9156 1 1 23 HIS CD2 C -6.742 2.927 -5.322 1.00 . A A . 23 HIS CD2 1 1 16 9157 1 1 23 HIS CE1 C -8.343 3.956 -4.361 1.00 . A A . 23 HIS CE1 1 1 16 9158 1 1 23 HIS CG C -6.397 3.001 -3.996 1.00 . A A . 23 HIS CG 1 1 16 9159 1 1 23 HIS H H -6.507 0.387 -3.398 1.00 . A A . 23 HIS H 1 1 16 9160 1 1 23 HIS HA H -4.255 1.419 -4.822 1.00 . A A . 23 HIS HA 1 1 16 9161 1 1 23 HIS HB2 H -5.488 2.328 -2.197 1.00 . A A . 23 HIS HB2 1 1 16 9162 1 1 23 HIS HB3 H -4.430 3.291 -3.243 1.00 . A A . 23 HIS HB3 1 1 16 9163 1 1 23 HIS HD1 H -7.534 3.906 -2.411 1.00 . A A . 23 HIS HD1 1 1 16 9164 1 1 23 HIS HD2 H -6.135 2.459 -6.083 1.00 . A A . 23 HIS HD2 1 1 16 9165 1 1 23 HIS HE1 H -9.270 4.480 -4.180 1.00 . A A . 23 HIS HE1 1 1 16 9166 1 1 23 HIS N N -5.621 0.202 -3.843 1.00 . A A . 23 HIS N 1 1 16 9167 1 1 23 HIS ND1 N -7.451 3.674 -3.389 1.00 . A A . 23 HIS ND1 1 1 16 9168 1 1 23 HIS NE2 N -7.969 3.527 -5.566 1.00 . A A . 23 HIS NE2 1 1 16 9169 1 1 23 HIS O O -2.273 1.093 -3.246 1.00 . A A . 23 HIS O 1 1 16 9170 1 1 24 LEU C C -1.850 -1.617 -1.867 1.00 . A A . 24 LEU C 1 1 16 9171 1 1 24 LEU CA C -2.671 -0.596 -1.079 1.00 . A A . 24 LEU CA 1 1 16 9172 1 1 24 LEU CB C -3.318 -1.254 0.143 1.00 . A A . 24 LEU CB 1 1 16 9173 1 1 24 LEU CD1 C -2.202 -0.166 2.103 1.00 . A A . 24 LEU CD1 1 1 16 9174 1 1 24 LEU CD2 C -2.697 -2.601 2.161 1.00 . A A . 24 LEU CD2 1 1 16 9175 1 1 24 LEU CG C -2.279 -1.436 1.265 1.00 . A A . 24 LEU CG 1 1 16 9176 1 1 24 LEU H H -4.671 -0.295 -1.745 1.00 . A A . 24 LEU H 1 1 16 9177 1 1 24 LEU HA H -2.018 0.212 -0.748 1.00 . A A . 24 LEU HA 1 1 16 9178 1 1 24 LEU HB2 H -4.132 -0.624 0.503 1.00 . A A . 24 LEU HB2 1 1 16 9179 1 1 24 LEU HB3 H -3.717 -2.226 -0.143 1.00 . A A . 24 LEU HB3 1 1 16 9180 1 1 24 LEU HD11 H -3.205 0.158 2.362 1.00 . A A . 24 LEU HD11 1 1 16 9181 1 1 24 LEU HD12 H -1.642 -0.368 3.013 1.00 . A A . 24 LEU HD12 1 1 16 9182 1 1 24 LEU HD13 H -1.702 0.614 1.535 1.00 . A A . 24 LEU HD13 1 1 16 9183 1 1 24 LEU HD21 H -3.673 -2.390 2.599 1.00 . A A . 24 LEU HD21 1 1 16 9184 1 1 24 LEU HD22 H -2.754 -3.514 1.569 1.00 . A A . 24 LEU HD22 1 1 16 9185 1 1 24 LEU HD23 H -1.965 -2.730 2.957 1.00 . A A . 24 LEU HD23 1 1 16 9186 1 1 24 LEU HG H -1.293 -1.641 0.837 1.00 . A A . 24 LEU HG 1 1 16 9187 1 1 24 LEU N N -3.707 -0.050 -1.936 1.00 . A A . 24 LEU N 1 1 16 9188 1 1 24 LEU O O -0.650 -1.739 -1.656 1.00 . A A . 24 LEU O 1 1 16 9189 1 1 25 ALA C C -0.791 -2.747 -4.478 1.00 . A A . 25 ALA C 1 1 16 9190 1 1 25 ALA CA C -1.858 -3.370 -3.582 1.00 . A A . 25 ALA CA 1 1 16 9191 1 1 25 ALA CB C -2.910 -4.094 -4.423 1.00 . A A . 25 ALA CB 1 1 16 9192 1 1 25 ALA H H -3.501 -2.200 -2.910 1.00 . A A . 25 ALA H 1 1 16 9193 1 1 25 ALA HA H -1.379 -4.093 -2.916 1.00 . A A . 25 ALA HA 1 1 16 9194 1 1 25 ALA HB1 H -3.692 -4.484 -3.771 1.00 . A A . 25 ALA HB1 1 1 16 9195 1 1 25 ALA HB2 H -3.349 -3.399 -5.137 1.00 . A A . 25 ALA HB2 1 1 16 9196 1 1 25 ALA HB3 H -2.442 -4.918 -4.960 1.00 . A A . 25 ALA HB3 1 1 16 9197 1 1 25 ALA N N -2.508 -2.350 -2.775 1.00 . A A . 25 ALA N 1 1 16 9198 1 1 25 ALA O O 0.370 -3.132 -4.405 1.00 . A A . 25 ALA O 1 1 16 9199 1 1 26 VAL C C 0.868 -0.445 -5.441 1.00 . A A . 26 VAL C 1 1 16 9200 1 1 26 VAL CA C -0.240 -1.138 -6.240 1.00 . A A . 26 VAL CA 1 1 16 9201 1 1 26 VAL CB C -0.974 -0.143 -7.160 1.00 . A A . 26 VAL CB 1 1 16 9202 1 1 26 VAL CG1 C -1.993 -0.896 -8.021 1.00 . A A . 26 VAL CG1 1 1 16 9203 1 1 26 VAL CG2 C -1.699 0.931 -6.338 1.00 . A A . 26 VAL CG2 1 1 16 9204 1 1 26 VAL H H -2.153 -1.500 -5.350 1.00 . A A . 26 VAL H 1 1 16 9205 1 1 26 VAL HA H 0.218 -1.907 -6.864 1.00 . A A . 26 VAL HA 1 1 16 9206 1 1 26 VAL HB H -0.247 0.341 -7.813 1.00 . A A . 26 VAL HB 1 1 16 9207 1 1 26 VAL HG11 H -1.491 -1.694 -8.566 1.00 . A A . 26 VAL HG11 1 1 16 9208 1 1 26 VAL HG12 H -2.768 -1.323 -7.384 1.00 . A A . 26 VAL HG12 1 1 16 9209 1 1 26 VAL HG13 H -2.450 -0.205 -8.730 1.00 . A A . 26 VAL HG13 1 1 16 9210 1 1 26 VAL HG21 H -2.373 0.456 -5.632 1.00 . A A . 26 VAL HG21 1 1 16 9211 1 1 26 VAL HG22 H -0.971 1.536 -5.797 1.00 . A A . 26 VAL HG22 1 1 16 9212 1 1 26 VAL HG23 H -2.271 1.573 -7.007 1.00 . A A . 26 VAL HG23 1 1 16 9213 1 1 26 VAL N N -1.182 -1.787 -5.329 1.00 . A A . 26 VAL N 1 1 16 9214 1 1 26 VAL O O 2.032 -0.471 -5.838 1.00 . A A . 26 VAL O 1 1 16 9215 1 1 27 HIS C C 2.467 -0.170 -2.901 1.00 . A A . 27 HIS C 1 1 16 9216 1 1 27 HIS CA C 1.460 0.845 -3.453 1.00 . A A . 27 HIS CA 1 1 16 9217 1 1 27 HIS CB C 0.694 1.539 -2.330 1.00 . A A . 27 HIS CB 1 1 16 9218 1 1 27 HIS CD2 C 1.885 1.677 -0.006 1.00 . A A . 27 HIS CD2 1 1 16 9219 1 1 27 HIS CE1 C 2.978 3.484 -0.276 1.00 . A A . 27 HIS CE1 1 1 16 9220 1 1 27 HIS CG C 1.588 2.104 -1.267 1.00 . A A . 27 HIS CG 1 1 16 9221 1 1 27 HIS H H -0.470 0.163 -4.031 1.00 . A A . 27 HIS H 1 1 16 9222 1 1 27 HIS HA H 1.995 1.596 -4.038 1.00 . A A . 27 HIS HA 1 1 16 9223 1 1 27 HIS HB2 H 0.100 2.348 -2.756 1.00 . A A . 27 HIS HB2 1 1 16 9224 1 1 27 HIS HB3 H 0.024 0.818 -1.866 1.00 . A A . 27 HIS HB3 1 1 16 9225 1 1 27 HIS HD1 H 2.326 3.871 -2.248 1.00 . A A . 27 HIS HD1 1 1 16 9226 1 1 27 HIS HD2 H 1.481 0.777 0.432 1.00 . A A . 27 HIS HD2 1 1 16 9227 1 1 27 HIS HE1 H 3.626 4.331 -0.109 1.00 . A A . 27 HIS HE1 1 1 16 9228 1 1 27 HIS N N 0.504 0.167 -4.310 1.00 . A A . 27 HIS N 1 1 16 9229 1 1 27 HIS ND1 N 2.309 3.281 -1.428 1.00 . A A . 27 HIS ND1 1 1 16 9230 1 1 27 HIS NE2 N 2.758 2.537 0.640 1.00 . A A . 27 HIS NE2 1 1 16 9231 1 1 27 HIS O O 3.670 0.090 -2.885 1.00 . A A . 27 HIS O 1 1 16 9232 1 1 28 LYS C C 3.703 -2.941 -3.045 1.00 . A A . 28 LYS C 1 1 16 9233 1 1 28 LYS CA C 2.818 -2.385 -1.927 1.00 . A A . 28 LYS CA 1 1 16 9234 1 1 28 LYS CB C 1.940 -3.488 -1.324 1.00 . A A . 28 LYS CB 1 1 16 9235 1 1 28 LYS CD C 2.591 -4.204 0.991 1.00 . A A . 28 LYS CD 1 1 16 9236 1 1 28 LYS CE C 3.748 -4.808 1.794 1.00 . A A . 28 LYS CE 1 1 16 9237 1 1 28 LYS CG C 2.805 -4.452 -0.507 1.00 . A A . 28 LYS CG 1 1 16 9238 1 1 28 LYS H H 0.971 -1.489 -2.483 1.00 . A A . 28 LYS H 1 1 16 9239 1 1 28 LYS HA H 3.453 -1.972 -1.143 1.00 . A A . 28 LYS HA 1 1 16 9240 1 1 28 LYS HB2 H 1.188 -3.040 -0.675 1.00 . A A . 28 LYS HB2 1 1 16 9241 1 1 28 LYS HB3 H 1.445 -4.036 -2.125 1.00 . A A . 28 LYS HB3 1 1 16 9242 1 1 28 LYS HD2 H 2.547 -3.131 1.178 1.00 . A A . 28 LYS HD2 1 1 16 9243 1 1 28 LYS HD3 H 1.651 -4.663 1.304 1.00 . A A . 28 LYS HD3 1 1 16 9244 1 1 28 LYS HE2 H 4.652 -4.228 1.610 1.00 . A A . 28 LYS HE2 1 1 16 9245 1 1 28 LYS HE3 H 3.507 -4.762 2.858 1.00 . A A . 28 LYS HE3 1 1 16 9246 1 1 28 LYS HG2 H 2.526 -5.478 -0.749 1.00 . A A . 28 LYS HG2 1 1 16 9247 1 1 28 LYS HG3 H 3.854 -4.295 -0.752 1.00 . A A . 28 LYS HG3 1 1 16 9248 1 1 28 LYS HZ1 H 3.142 -6.745 1.514 1.00 . A A . 28 LYS HZ1 1 1 16 9249 1 1 28 LYS HZ2 H 4.309 -6.253 0.451 1.00 . A A . 28 LYS HZ2 1 1 16 9250 1 1 28 LYS HZ3 H 4.706 -6.603 2.015 1.00 . A A . 28 LYS HZ3 1 1 16 9251 1 1 28 LYS N N 1.970 -1.329 -2.454 1.00 . A A . 28 LYS N 1 1 16 9252 1 1 28 LYS NZ N 3.993 -6.213 1.416 1.00 . A A . 28 LYS NZ 1 1 16 9253 1 1 28 LYS O O 4.872 -3.238 -2.823 1.00 . A A . 28 LYS O 1 1 16 9254 1 1 29 HIS C C 5.064 -2.627 -5.674 1.00 . A A . 29 HIS C 1 1 16 9255 1 1 29 HIS CA C 3.895 -3.568 -5.393 1.00 . A A . 29 HIS CA 1 1 16 9256 1 1 29 HIS CB C 2.968 -3.676 -6.610 1.00 . A A . 29 HIS CB 1 1 16 9257 1 1 29 HIS CD2 C 3.050 -4.930 -8.927 1.00 . A A . 29 HIS CD2 1 1 16 9258 1 1 29 HIS CE1 C 5.105 -5.499 -8.944 1.00 . A A . 29 HIS CE1 1 1 16 9259 1 1 29 HIS CG C 3.578 -4.451 -7.755 1.00 . A A . 29 HIS CG 1 1 16 9260 1 1 29 HIS H H 2.176 -2.821 -4.387 1.00 . A A . 29 HIS H 1 1 16 9261 1 1 29 HIS HA H 4.285 -4.559 -5.155 1.00 . A A . 29 HIS HA 1 1 16 9262 1 1 29 HIS HB2 H 2.047 -4.176 -6.305 1.00 . A A . 29 HIS HB2 1 1 16 9263 1 1 29 HIS HB3 H 2.723 -2.673 -6.958 1.00 . A A . 29 HIS HB3 1 1 16 9264 1 1 29 HIS HD1 H 5.616 -4.646 -7.079 1.00 . A A . 29 HIS HD1 1 1 16 9265 1 1 29 HIS HD2 H 2.018 -4.806 -9.222 1.00 . A A . 29 HIS HD2 1 1 16 9266 1 1 29 HIS HE1 H 6.056 -5.915 -9.239 1.00 . A A . 29 HIS HE1 1 1 16 9267 1 1 29 HIS N N 3.145 -3.073 -4.252 1.00 . A A . 29 HIS N 1 1 16 9268 1 1 29 HIS ND1 N 4.917 -4.833 -7.788 1.00 . A A . 29 HIS ND1 1 1 16 9269 1 1 29 HIS NE2 N 4.001 -5.594 -9.687 1.00 . A A . 29 HIS NE2 1 1 16 9270 1 1 29 HIS O O 6.150 -3.079 -6.027 1.00 . A A . 29 HIS O 1 1 16 9271 1 1 30 LYS C C 7.032 -0.555 -4.740 1.00 . A A . 30 LYS C 1 1 16 9272 1 1 30 LYS CA C 5.888 -0.329 -5.733 1.00 . A A . 30 LYS CA 1 1 16 9273 1 1 30 LYS CB C 5.306 1.083 -5.598 1.00 . A A . 30 LYS CB 1 1 16 9274 1 1 30 LYS CD C 5.960 2.071 -7.816 1.00 . A A . 30 LYS CD 1 1 16 9275 1 1 30 LYS CE C 7.161 2.657 -8.564 1.00 . A A . 30 LYS CE 1 1 16 9276 1 1 30 LYS CG C 6.220 2.094 -6.301 1.00 . A A . 30 LYS CG 1 1 16 9277 1 1 30 LYS H H 3.927 -0.991 -5.227 1.00 . A A . 30 LYS H 1 1 16 9278 1 1 30 LYS HA H 6.275 -0.457 -6.742 1.00 . A A . 30 LYS HA 1 1 16 9279 1 1 30 LYS HB2 H 4.315 1.116 -6.053 1.00 . A A . 30 LYS HB2 1 1 16 9280 1 1 30 LYS HB3 H 5.226 1.342 -4.542 1.00 . A A . 30 LYS HB3 1 1 16 9281 1 1 30 LYS HD2 H 5.792 1.047 -8.148 1.00 . A A . 30 LYS HD2 1 1 16 9282 1 1 30 LYS HD3 H 5.073 2.668 -8.036 1.00 . A A . 30 LYS HD3 1 1 16 9283 1 1 30 LYS HE2 H 6.876 2.855 -9.599 1.00 . A A . 30 LYS HE2 1 1 16 9284 1 1 30 LYS HE3 H 7.456 3.595 -8.091 1.00 . A A . 30 LYS HE3 1 1 16 9285 1 1 30 LYS HG2 H 6.015 3.094 -5.917 1.00 . A A . 30 LYS HG2 1 1 16 9286 1 1 30 LYS HG3 H 7.261 1.840 -6.101 1.00 . A A . 30 LYS HG3 1 1 16 9287 1 1 30 LYS HZ1 H 8.565 1.515 -7.601 1.00 . A A . 30 LYS HZ1 1 1 16 9288 1 1 30 LYS HZ2 H 8.060 0.874 -9.034 1.00 . A A . 30 LYS HZ2 1 1 16 9289 1 1 30 LYS HZ3 H 9.095 2.160 -9.025 1.00 . A A . 30 LYS HZ3 1 1 16 9290 1 1 30 LYS N N 4.843 -1.315 -5.512 1.00 . A A . 30 LYS N 1 1 16 9291 1 1 30 LYS NZ N 8.308 1.729 -8.553 1.00 . A A . 30 LYS NZ 1 1 16 9292 1 1 30 LYS O O 8.195 -0.352 -5.086 1.00 . A A . 30 LYS O 1 1 16 9293 1 1 31 HIS C C 8.483 -2.528 -2.948 1.00 . A A . 31 HIS C 1 1 16 9294 1 1 31 HIS CA C 7.725 -1.278 -2.514 1.00 . A A . 31 HIS CA 1 1 16 9295 1 1 31 HIS CB C 7.077 -1.480 -1.141 1.00 . A A . 31 HIS CB 1 1 16 9296 1 1 31 HIS CD2 C 5.444 0.253 -0.003 1.00 . A A . 31 HIS CD2 1 1 16 9297 1 1 31 HIS CE1 C 6.823 1.854 0.287 1.00 . A A . 31 HIS CE1 1 1 16 9298 1 1 31 HIS CG C 6.647 -0.186 -0.504 1.00 . A A . 31 HIS CG 1 1 16 9299 1 1 31 HIS H H 5.736 -1.117 -3.265 1.00 . A A . 31 HIS H 1 1 16 9300 1 1 31 HIS HA H 8.425 -0.443 -2.458 1.00 . A A . 31 HIS HA 1 1 16 9301 1 1 31 HIS HB2 H 6.210 -2.124 -1.248 1.00 . A A . 31 HIS HB2 1 1 16 9302 1 1 31 HIS HB3 H 7.796 -1.969 -0.482 1.00 . A A . 31 HIS HB3 1 1 16 9303 1 1 31 HIS HD1 H 8.504 0.896 -0.553 1.00 . A A . 31 HIS HD1 1 1 16 9304 1 1 31 HIS HD2 H 4.531 -0.332 0.000 1.00 . A A . 31 HIS HD2 1 1 16 9305 1 1 31 HIS HE1 H 7.255 2.805 0.564 1.00 . A A . 31 HIS HE1 1 1 16 9306 1 1 31 HIS N N 6.707 -0.983 -3.511 1.00 . A A . 31 HIS N 1 1 16 9307 1 1 31 HIS ND1 N 7.525 0.871 -0.303 1.00 . A A . 31 HIS ND1 1 1 16 9308 1 1 31 HIS NE2 N 5.545 1.540 0.503 1.00 . A A . 31 HIS NE2 1 1 16 9309 1 1 31 HIS O O 9.695 -2.480 -3.156 1.00 . A A . 31 HIS O 1 1 16 9310 1 1 32 GLU C C 8.428 -4.908 -5.076 1.00 . A A . 32 GLU C 1 1 16 9311 1 1 32 GLU CA C 8.361 -4.898 -3.546 1.00 . A A . 32 GLU CA 1 1 16 9312 1 1 32 GLU CB C 7.537 -6.081 -3.022 1.00 . A A . 32 GLU CB 1 1 16 9313 1 1 32 GLU CD C 6.370 -5.645 -0.826 1.00 . A A . 32 GLU CD 1 1 16 9314 1 1 32 GLU CG C 7.640 -6.158 -1.492 1.00 . A A . 32 GLU CG 1 1 16 9315 1 1 32 GLU H H 6.768 -3.633 -2.907 1.00 . A A . 32 GLU H 1 1 16 9316 1 1 32 GLU HA H 9.376 -4.972 -3.151 1.00 . A A . 32 GLU HA 1 1 16 9317 1 1 32 GLU HB2 H 6.493 -5.956 -3.315 1.00 . A A . 32 GLU HB2 1 1 16 9318 1 1 32 GLU HB3 H 7.922 -7.006 -3.452 1.00 . A A . 32 GLU HB3 1 1 16 9319 1 1 32 GLU HG2 H 7.797 -7.196 -1.199 1.00 . A A . 32 GLU HG2 1 1 16 9320 1 1 32 GLU HG3 H 8.487 -5.562 -1.154 1.00 . A A . 32 GLU HG3 1 1 16 9321 1 1 32 GLU N N 7.763 -3.648 -3.100 1.00 . A A . 32 GLU N 1 1 16 9322 1 1 32 GLU O O 7.997 -5.866 -5.718 1.00 . A A . 32 GLU O 1 1 16 9323 1 1 32 GLU OE1 O 5.347 -6.361 -0.922 1.00 . A A . 32 GLU OE1 1 1 16 9324 1 1 32 GLU OE2 O 6.440 -4.552 -0.226 1.00 . A A . 32 GLU OE2 1 1 16 9325 1 1 33 MET C C 10.196 -4.648 -7.605 1.00 . A A . 33 MET C 1 1 16 9326 1 1 33 MET CA C 9.100 -3.715 -7.103 1.00 . A A . 33 MET CA 1 1 16 9327 1 1 33 MET CB C 9.390 -2.256 -7.493 1.00 . A A . 33 MET CB 1 1 16 9328 1 1 33 MET CE C 12.511 0.195 -6.154 1.00 . A A . 33 MET CE 1 1 16 9329 1 1 33 MET CG C 10.673 -1.744 -6.820 1.00 . A A . 33 MET CG 1 1 16 9330 1 1 33 MET H H 9.311 -3.078 -5.080 1.00 . A A . 33 MET H 1 1 16 9331 1 1 33 MET HA H 8.156 -4.012 -7.562 1.00 . A A . 33 MET HA 1 1 16 9332 1 1 33 MET HB2 H 9.508 -2.194 -8.573 1.00 . A A . 33 MET HB2 1 1 16 9333 1 1 33 MET HB3 H 8.552 -1.632 -7.191 1.00 . A A . 33 MET HB3 1 1 16 9334 1 1 33 MET HE1 H 12.277 -0.026 -5.113 1.00 . A A . 33 MET HE1 1 1 16 9335 1 1 33 MET HE2 H 13.282 -0.490 -6.508 1.00 . A A . 33 MET HE2 1 1 16 9336 1 1 33 MET HE3 H 12.872 1.220 -6.237 1.00 . A A . 33 MET HE3 1 1 16 9337 1 1 33 MET HG2 H 10.583 -1.870 -5.744 1.00 . A A . 33 MET HG2 1 1 16 9338 1 1 33 MET HG3 H 11.515 -2.338 -7.173 1.00 . A A . 33 MET HG3 1 1 16 9339 1 1 33 MET N N 8.974 -3.833 -5.658 1.00 . A A . 33 MET N 1 1 16 9340 1 1 33 MET O O 10.092 -5.181 -8.708 1.00 . A A . 33 MET O 1 1 16 9341 1 1 33 MET SD S 11.022 -0.002 -7.162 1.00 . A A . 33 MET SD 1 1 16 9342 1 1 34 THR C C 13.296 -5.054 -8.114 1.00 . A A . 34 THR C 1 1 16 9343 1 1 34 THR CA C 12.370 -5.716 -7.092 1.00 . A A . 34 THR CA 1 1 16 9344 1 1 34 THR CB C 11.875 -7.085 -7.591 1.00 . A A . 34 THR CB 1 1 16 9345 1 1 34 THR CG2 C 13.000 -8.109 -7.465 1.00 . A A . 34 THR CG2 1 1 16 9346 1 1 34 THR H H 11.261 -4.362 -5.902 1.00 . A A . 34 THR H 1 1 16 9347 1 1 34 THR HA H 12.935 -5.873 -6.172 1.00 . A A . 34 THR HA 1 1 16 9348 1 1 34 THR HB H 11.573 -7.012 -8.636 1.00 . A A . 34 THR HB 1 1 16 9349 1 1 34 THR HG1 H 10.012 -6.974 -7.033 1.00 . A A . 34 THR HG1 1 1 16 9350 1 1 34 THR HG21 H 13.305 -8.187 -6.420 1.00 . A A . 34 THR HG21 1 1 16 9351 1 1 34 THR HG22 H 12.649 -9.080 -7.813 1.00 . A A . 34 THR HG22 1 1 16 9352 1 1 34 THR HG23 H 13.851 -7.793 -8.068 1.00 . A A . 34 THR HG23 1 1 16 9353 1 1 34 THR N N 11.243 -4.841 -6.782 1.00 . A A . 34 THR N 1 1 16 9354 1 1 34 THR O O 14.512 -5.052 -7.931 1.00 . A A . 34 THR O 1 1 16 9355 1 1 34 THR OG1 O 10.776 -7.512 -6.810 1.00 . A A . 34 THR OG1 1 1 16 9356 1 1 35 LEU C C 12.670 -2.841 -11.015 1.00 . A A . 35 LEU C 1 1 16 9357 1 1 35 LEU CA C 13.510 -3.867 -10.237 1.00 . A A . 35 LEU CA 1 1 16 9358 1 1 35 LEU CB C 14.033 -4.965 -11.171 1.00 . A A . 35 LEU CB 1 1 16 9359 1 1 35 LEU CD1 C 16.072 -6.050 -12.131 1.00 . A A . 35 LEU CD1 1 1 16 9360 1 1 35 LEU CD2 C 15.890 -3.559 -12.124 1.00 . A A . 35 LEU CD2 1 1 16 9361 1 1 35 LEU CG C 15.554 -4.839 -11.352 1.00 . A A . 35 LEU CG 1 1 16 9362 1 1 35 LEU H H 11.726 -4.525 -9.289 1.00 . A A . 35 LEU H 1 1 16 9363 1 1 35 LEU HA H 14.356 -3.352 -9.781 1.00 . A A . 35 LEU HA 1 1 16 9364 1 1 35 LEU HB2 H 13.804 -5.940 -10.736 1.00 . A A . 35 LEU HB2 1 1 16 9365 1 1 35 LEU HB3 H 13.542 -4.882 -12.141 1.00 . A A . 35 LEU HB3 1 1 16 9366 1 1 35 LEU HD11 H 15.837 -6.963 -11.583 1.00 . A A . 35 LEU HD11 1 1 16 9367 1 1 35 LEU HD12 H 15.597 -6.084 -13.112 1.00 . A A . 35 LEU HD12 1 1 16 9368 1 1 35 LEU HD13 H 17.152 -5.969 -12.252 1.00 . A A . 35 LEU HD13 1 1 16 9369 1 1 35 LEU HD21 H 15.294 -3.514 -13.035 1.00 . A A . 35 LEU HD21 1 1 16 9370 1 1 35 LEU HD22 H 15.675 -2.689 -11.504 1.00 . A A . 35 LEU HD22 1 1 16 9371 1 1 35 LEU HD23 H 16.949 -3.560 -12.384 1.00 . A A . 35 LEU HD23 1 1 16 9372 1 1 35 LEU HG H 16.034 -4.809 -10.374 1.00 . A A . 35 LEU HG 1 1 16 9373 1 1 35 LEU N N 12.726 -4.500 -9.190 1.00 . A A . 35 LEU N 1 1 16 9374 1 1 35 LEU O O 13.229 -1.990 -11.704 1.00 . A A . 35 LEU O 1 1 16 9375 1 1 36 LYS C C 10.490 -0.618 -10.945 1.00 . A A . 36 LYS C 1 1 16 9376 1 1 36 LYS CA C 10.448 -1.997 -11.617 1.00 . A A . 36 LYS CA 1 1 16 9377 1 1 36 LYS CB C 9.023 -2.577 -11.628 1.00 . A A . 36 LYS CB 1 1 16 9378 1 1 36 LYS CD C 8.525 -1.976 -14.023 1.00 . A A . 36 LYS CD 1 1 16 9379 1 1 36 LYS CE C 7.358 -1.624 -14.953 1.00 . A A . 36 LYS CE 1 1 16 9380 1 1 36 LYS CG C 8.111 -1.764 -12.560 1.00 . A A . 36 LYS CG 1 1 16 9381 1 1 36 LYS H H 10.912 -3.630 -10.335 1.00 . A A . 36 LYS H 1 1 16 9382 1 1 36 LYS HA H 10.795 -1.899 -12.644 1.00 . A A . 36 LYS HA 1 1 16 9383 1 1 36 LYS HB2 H 9.058 -3.611 -11.972 1.00 . A A . 36 LYS HB2 1 1 16 9384 1 1 36 LYS HB3 H 8.615 -2.554 -10.617 1.00 . A A . 36 LYS HB3 1 1 16 9385 1 1 36 LYS HD2 H 9.380 -1.340 -14.259 1.00 . A A . 36 LYS HD2 1 1 16 9386 1 1 36 LYS HD3 H 8.800 -3.021 -14.175 1.00 . A A . 36 LYS HD3 1 1 16 9387 1 1 36 LYS HE2 H 7.631 -1.875 -15.978 1.00 . A A . 36 LYS HE2 1 1 16 9388 1 1 36 LYS HE3 H 6.481 -2.207 -14.665 1.00 . A A . 36 LYS HE3 1 1 16 9389 1 1 36 LYS HG2 H 7.081 -2.095 -12.425 1.00 . A A . 36 LYS HG2 1 1 16 9390 1 1 36 LYS HG3 H 8.183 -0.705 -12.312 1.00 . A A . 36 LYS HG3 1 1 16 9391 1 1 36 LYS HZ1 H 6.823 0.070 -13.924 1.00 . A A . 36 LYS HZ1 1 1 16 9392 1 1 36 LYS HZ2 H 7.818 0.360 -15.209 1.00 . A A . 36 LYS HZ2 1 1 16 9393 1 1 36 LYS HZ3 H 6.225 0.004 -15.461 1.00 . A A . 36 LYS HZ3 1 1 16 9394 1 1 36 LYS N N 11.331 -2.918 -10.911 1.00 . A A . 36 LYS N 1 1 16 9395 1 1 36 LYS NZ N 7.028 -0.189 -14.882 1.00 . A A . 36 LYS NZ 1 1 16 9396 1 1 36 LYS O O 9.554 -0.231 -10.241 1.00 . A A . 36 LYS O 1 1 16 9397 1 1 37 PHE C C 10.634 2.362 -11.093 1.00 . A A . 37 PHE C 1 1 16 9398 1 1 37 PHE CA C 11.755 1.448 -10.604 1.00 . A A . 37 PHE CA 1 1 16 9399 1 1 37 PHE CB C 13.124 2.001 -11.008 1.00 . A A . 37 PHE CB 1 1 16 9400 1 1 37 PHE CD1 C 13.929 3.394 -9.058 1.00 . A A . 37 PHE CD1 1 1 16 9401 1 1 37 PHE CD2 C 13.222 4.530 -11.095 1.00 . A A . 37 PHE CD2 1 1 16 9402 1 1 37 PHE CE1 C 14.212 4.637 -8.465 1.00 . A A . 37 PHE CE1 1 1 16 9403 1 1 37 PHE CE2 C 13.505 5.771 -10.500 1.00 . A A . 37 PHE CE2 1 1 16 9404 1 1 37 PHE CG C 13.433 3.340 -10.373 1.00 . A A . 37 PHE CG 1 1 16 9405 1 1 37 PHE CZ C 14.001 5.825 -9.185 1.00 . A A . 37 PHE CZ 1 1 16 9406 1 1 37 PHE H H 12.324 -0.253 -11.751 1.00 . A A . 37 PHE H 1 1 16 9407 1 1 37 PHE HA H 11.709 1.381 -9.519 1.00 . A A . 37 PHE HA 1 1 16 9408 1 1 37 PHE HB2 H 13.893 1.287 -10.706 1.00 . A A . 37 PHE HB2 1 1 16 9409 1 1 37 PHE HB3 H 13.157 2.110 -12.092 1.00 . A A . 37 PHE HB3 1 1 16 9410 1 1 37 PHE HD1 H 14.091 2.483 -8.502 1.00 . A A . 37 PHE HD1 1 1 16 9411 1 1 37 PHE HD2 H 12.840 4.491 -12.104 1.00 . A A . 37 PHE HD2 1 1 16 9412 1 1 37 PHE HE1 H 14.592 4.679 -7.455 1.00 . A A . 37 PHE HE1 1 1 16 9413 1 1 37 PHE HE2 H 13.343 6.685 -11.053 1.00 . A A . 37 PHE HE2 1 1 16 9414 1 1 37 PHE HZ H 14.218 6.780 -8.728 1.00 . A A . 37 PHE HZ 1 1 16 9415 1 1 37 PHE N N 11.583 0.119 -11.169 1.00 . A A . 37 PHE N 1 1 16 9416 1 1 37 PHE O O 9.987 3.032 -10.289 1.00 . A A . 37 PHE O 1 1 16 9417 1 1 38 GLY C C 8.382 2.267 -13.744 1.00 . A A . 38 GLY C 1 1 16 9418 1 1 38 GLY CA C 9.363 3.180 -13.021 1.00 . A A . 38 GLY CA 1 1 16 9419 1 1 38 GLY H H 10.978 1.806 -13.019 1.00 . A A . 38 GLY H 1 1 16 9420 1 1 38 GLY HA2 H 8.833 3.745 -12.254 1.00 . A A . 38 GLY HA2 1 1 16 9421 1 1 38 GLY HA3 H 9.808 3.871 -13.737 1.00 . A A . 38 GLY HA3 1 1 16 9422 1 1 38 GLY N N 10.409 2.376 -12.412 1.00 . A A . 38 GLY N 1 1 16 9423 1 1 38 GLY O O 7.487 1.744 -13.041 1.00 . A A . 38 GLY O 1 1 16 9424 1 1 38 GLY OXT O 8.747 1.842 -14.863 1.00 . A A . 38 GLY OXT 1 1 17 9425 1 1 1 MET C C -20.170 -3.355 0.387 1.00 . A A . 1 MET C 1 1 17 9426 1 1 1 MET CA C -21.491 -2.666 0.707 1.00 . A A . 1 MET CA 1 1 17 9427 1 1 1 MET CB C -22.568 -3.709 1.036 1.00 . A A . 1 MET CB 1 1 17 9428 1 1 1 MET CE C -23.654 -0.489 2.687 1.00 . A A . 1 MET CE 1 1 17 9429 1 1 1 MET CG C -23.821 -3.031 1.609 1.00 . A A . 1 MET CG 1 1 17 9430 1 1 1 MET H1 H -21.177 -1.158 -0.638 1.00 . A A . 1 MET H1 1 1 17 9431 1 1 1 MET H2 H -22.047 -2.422 -1.245 1.00 . A A . 1 MET H2 1 1 17 9432 1 1 1 MET H3 H -22.759 -1.349 -0.214 1.00 . A A . 1 MET H3 1 1 17 9433 1 1 1 MET HA H -21.347 -2.022 1.573 1.00 . A A . 1 MET HA 1 1 17 9434 1 1 1 MET HB2 H -22.834 -4.252 0.129 1.00 . A A . 1 MET HB2 1 1 17 9435 1 1 1 MET HB3 H -22.174 -4.411 1.772 1.00 . A A . 1 MET HB3 1 1 17 9436 1 1 1 MET HE1 H -24.629 -0.296 2.240 1.00 . A A . 1 MET HE1 1 1 17 9437 1 1 1 MET HE2 H -23.517 0.157 3.553 1.00 . A A . 1 MET HE2 1 1 17 9438 1 1 1 MET HE3 H -22.872 -0.287 1.957 1.00 . A A . 1 MET HE3 1 1 17 9439 1 1 1 MET HG2 H -24.178 -2.291 0.894 1.00 . A A . 1 MET HG2 1 1 17 9440 1 1 1 MET HG3 H -24.593 -3.791 1.731 1.00 . A A . 1 MET HG3 1 1 17 9441 1 1 1 MET N N -21.903 -1.833 -0.436 1.00 . A A . 1 MET N 1 1 17 9442 1 1 1 MET O O -20.081 -4.099 -0.587 1.00 . A A . 1 MET O 1 1 17 9443 1 1 1 MET SD S -23.564 -2.221 3.211 1.00 . A A . 1 MET SD 1 1 17 9444 1 1 2 SER C C -16.980 -3.401 2.256 1.00 . A A . 2 SER C 1 1 17 9445 1 1 2 SER CA C -17.829 -3.675 1.014 1.00 . A A . 2 SER CA 1 1 17 9446 1 1 2 SER CB C -17.190 -3.065 -0.246 1.00 . A A . 2 SER CB 1 1 17 9447 1 1 2 SER H H -19.284 -2.483 1.998 1.00 . A A . 2 SER H 1 1 17 9448 1 1 2 SER HA H -17.923 -4.753 0.882 1.00 . A A . 2 SER HA 1 1 17 9449 1 1 2 SER HB2 H -16.103 -3.097 -0.161 1.00 . A A . 2 SER HB2 1 1 17 9450 1 1 2 SER HB3 H -17.497 -3.640 -1.119 1.00 . A A . 2 SER HB3 1 1 17 9451 1 1 2 SER HG H -17.432 -1.243 0.420 1.00 . A A . 2 SER HG 1 1 17 9452 1 1 2 SER N N -19.150 -3.100 1.209 1.00 . A A . 2 SER N 1 1 17 9453 1 1 2 SER O O -17.463 -2.799 3.216 1.00 . A A . 2 SER O 1 1 17 9454 1 1 2 SER OG O -17.610 -1.724 -0.404 1.00 . A A . 2 SER OG 1 1 17 9455 1 1 3 ASP C C -14.248 -2.210 3.288 1.00 . A A . 3 ASP C 1 1 17 9456 1 1 3 ASP CA C -14.810 -3.633 3.355 1.00 . A A . 3 ASP CA 1 1 17 9457 1 1 3 ASP CB C -13.691 -4.681 3.304 1.00 . A A . 3 ASP CB 1 1 17 9458 1 1 3 ASP CG C -12.783 -4.584 4.528 1.00 . A A . 3 ASP CG 1 1 17 9459 1 1 3 ASP H H -15.370 -4.339 1.430 1.00 . A A . 3 ASP H 1 1 17 9460 1 1 3 ASP HA H -15.363 -3.753 4.288 1.00 . A A . 3 ASP HA 1 1 17 9461 1 1 3 ASP HB2 H -14.134 -5.676 3.272 1.00 . A A . 3 ASP HB2 1 1 17 9462 1 1 3 ASP HB3 H -13.095 -4.527 2.404 1.00 . A A . 3 ASP HB3 1 1 17 9463 1 1 3 ASP N N -15.717 -3.845 2.238 1.00 . A A . 3 ASP N 1 1 17 9464 1 1 3 ASP O O -13.054 -2.014 3.056 1.00 . A A . 3 ASP O 1 1 17 9465 1 1 3 ASP OD1 O -13.269 -4.079 5.563 1.00 . A A . 3 ASP OD1 1 1 17 9466 1 1 3 ASP OD2 O -11.619 -5.020 4.406 1.00 . A A . 3 ASP OD2 1 1 17 9467 1 1 4 ASP C C -14.048 0.573 4.747 1.00 . A A . 4 ASP C 1 1 17 9468 1 1 4 ASP CA C -14.746 0.186 3.443 1.00 . A A . 4 ASP CA 1 1 17 9469 1 1 4 ASP CB C -16.001 1.039 3.217 1.00 . A A . 4 ASP CB 1 1 17 9470 1 1 4 ASP CG C -16.638 0.732 1.866 1.00 . A A . 4 ASP CG 1 1 17 9471 1 1 4 ASP H H -16.096 -1.444 3.672 1.00 . A A . 4 ASP H 1 1 17 9472 1 1 4 ASP HA H -14.058 0.344 2.610 1.00 . A A . 4 ASP HA 1 1 17 9473 1 1 4 ASP HB2 H -16.724 0.832 4.008 1.00 . A A . 4 ASP HB2 1 1 17 9474 1 1 4 ASP HB3 H -15.729 2.094 3.250 1.00 . A A . 4 ASP HB3 1 1 17 9475 1 1 4 ASP N N -15.126 -1.218 3.487 1.00 . A A . 4 ASP N 1 1 17 9476 1 1 4 ASP O O -14.578 1.359 5.531 1.00 . A A . 4 ASP O 1 1 17 9477 1 1 4 ASP OD1 O -17.491 -0.183 1.831 1.00 . A A . 4 ASP OD1 1 1 17 9478 1 1 4 ASP OD2 O -16.259 1.417 0.892 1.00 . A A . 4 ASP OD2 1 1 17 9479 1 1 5 LYS C C -10.708 0.874 5.739 1.00 . A A . 5 LYS C 1 1 17 9480 1 1 5 LYS CA C -12.062 0.286 6.162 1.00 . A A . 5 LYS CA 1 1 17 9481 1 1 5 LYS CB C -11.897 -1.028 6.951 1.00 . A A . 5 LYS CB 1 1 17 9482 1 1 5 LYS CD C -10.523 -3.106 7.220 1.00 . A A . 5 LYS CD 1 1 17 9483 1 1 5 LYS CE C -9.356 -3.920 6.651 1.00 . A A . 5 LYS CE 1 1 17 9484 1 1 5 LYS CG C -10.840 -1.928 6.293 1.00 . A A . 5 LYS CG 1 1 17 9485 1 1 5 LYS H H -12.472 -0.626 4.282 1.00 . A A . 5 LYS H 1 1 17 9486 1 1 5 LYS HA H -12.589 1.009 6.782 1.00 . A A . 5 LYS HA 1 1 17 9487 1 1 5 LYS HB2 H -11.593 -0.802 7.969 1.00 . A A . 5 LYS HB2 1 1 17 9488 1 1 5 LYS HB3 H -12.851 -1.555 6.976 1.00 . A A . 5 LYS HB3 1 1 17 9489 1 1 5 LYS HD2 H -10.254 -2.729 8.207 1.00 . A A . 5 LYS HD2 1 1 17 9490 1 1 5 LYS HD3 H -11.403 -3.745 7.305 1.00 . A A . 5 LYS HD3 1 1 17 9491 1 1 5 LYS HE2 H -9.129 -4.740 7.334 1.00 . A A . 5 LYS HE2 1 1 17 9492 1 1 5 LYS HE3 H -9.645 -4.334 5.686 1.00 . A A . 5 LYS HE3 1 1 17 9493 1 1 5 LYS HG2 H -11.222 -2.302 5.342 1.00 . A A . 5 LYS HG2 1 1 17 9494 1 1 5 LYS HG3 H -9.932 -1.359 6.118 1.00 . A A . 5 LYS HG3 1 1 17 9495 1 1 5 LYS HZ1 H -7.959 -2.588 7.335 1.00 . A A . 5 LYS HZ1 1 1 17 9496 1 1 5 LYS HZ2 H -7.365 -3.678 6.247 1.00 . A A . 5 LYS HZ2 1 1 17 9497 1 1 5 LYS HZ3 H -8.303 -2.425 5.730 1.00 . A A . 5 LYS HZ3 1 1 17 9498 1 1 5 LYS N N -12.852 0.015 4.968 1.00 . A A . 5 LYS N 1 1 17 9499 1 1 5 LYS NZ N -8.151 -3.088 6.479 1.00 . A A . 5 LYS NZ 1 1 17 9500 1 1 5 LYS O O -10.351 0.792 4.568 1.00 . A A . 5 LYS O 1 1 17 9501 1 1 6 PRO C C -7.614 0.906 6.162 1.00 . A A . 6 PRO C 1 1 17 9502 1 1 6 PRO CA C -8.644 2.024 6.363 1.00 . A A . 6 PRO CA 1 1 17 9503 1 1 6 PRO CB C -8.281 2.901 7.564 1.00 . A A . 6 PRO CB 1 1 17 9504 1 1 6 PRO CD C -10.321 1.625 8.065 1.00 . A A . 6 PRO CD 1 1 17 9505 1 1 6 PRO CG C -9.274 2.554 8.681 1.00 . A A . 6 PRO CG 1 1 17 9506 1 1 6 PRO HA H -8.709 2.638 5.463 1.00 . A A . 6 PRO HA 1 1 17 9507 1 1 6 PRO HB2 H -7.261 2.694 7.889 1.00 . A A . 6 PRO HB2 1 1 17 9508 1 1 6 PRO HB3 H -8.382 3.952 7.296 1.00 . A A . 6 PRO HB3 1 1 17 9509 1 1 6 PRO HD2 H -10.302 0.664 8.572 1.00 . A A . 6 PRO HD2 1 1 17 9510 1 1 6 PRO HD3 H -11.311 2.075 8.142 1.00 . A A . 6 PRO HD3 1 1 17 9511 1 1 6 PRO HG2 H -8.756 2.044 9.494 1.00 . A A . 6 PRO HG2 1 1 17 9512 1 1 6 PRO HG3 H -9.751 3.461 9.053 1.00 . A A . 6 PRO HG3 1 1 17 9513 1 1 6 PRO N N -9.942 1.469 6.674 1.00 . A A . 6 PRO N 1 1 17 9514 1 1 6 PRO O O -7.639 -0.103 6.870 1.00 . A A . 6 PRO O 1 1 17 9515 1 1 7 PHE C C -4.296 0.879 5.017 1.00 . A A . 7 PHE C 1 1 17 9516 1 1 7 PHE CA C -5.631 0.150 4.913 1.00 . A A . 7 PHE CA 1 1 17 9517 1 1 7 PHE CB C -5.807 -0.433 3.507 1.00 . A A . 7 PHE CB 1 1 17 9518 1 1 7 PHE CD1 C -8.274 -0.656 3.032 1.00 . A A . 7 PHE CD1 1 1 17 9519 1 1 7 PHE CD2 C -6.986 -2.669 3.486 1.00 . A A . 7 PHE CD2 1 1 17 9520 1 1 7 PHE CE1 C -9.431 -1.435 2.864 1.00 . A A . 7 PHE CE1 1 1 17 9521 1 1 7 PHE CE2 C -8.144 -3.449 3.320 1.00 . A A . 7 PHE CE2 1 1 17 9522 1 1 7 PHE CG C -7.053 -1.271 3.343 1.00 . A A . 7 PHE CG 1 1 17 9523 1 1 7 PHE CZ C -9.366 -2.830 3.008 1.00 . A A . 7 PHE CZ 1 1 17 9524 1 1 7 PHE H H -6.746 1.943 4.638 1.00 . A A . 7 PHE H 1 1 17 9525 1 1 7 PHE HA H -5.654 -0.661 5.641 1.00 . A A . 7 PHE HA 1 1 17 9526 1 1 7 PHE HB2 H -5.842 0.387 2.789 1.00 . A A . 7 PHE HB2 1 1 17 9527 1 1 7 PHE HB3 H -4.942 -1.053 3.279 1.00 . A A . 7 PHE HB3 1 1 17 9528 1 1 7 PHE HD1 H -8.323 0.419 2.923 1.00 . A A . 7 PHE HD1 1 1 17 9529 1 1 7 PHE HD2 H -6.044 -3.145 3.720 1.00 . A A . 7 PHE HD2 1 1 17 9530 1 1 7 PHE HE1 H -10.373 -0.962 2.623 1.00 . A A . 7 PHE HE1 1 1 17 9531 1 1 7 PHE HE2 H -8.094 -4.522 3.427 1.00 . A A . 7 PHE HE2 1 1 17 9532 1 1 7 PHE HZ H -10.256 -3.430 2.877 1.00 . A A . 7 PHE HZ 1 1 17 9533 1 1 7 PHE N N -6.702 1.101 5.197 1.00 . A A . 7 PHE N 1 1 17 9534 1 1 7 PHE O O -3.938 1.634 4.117 1.00 . A A . 7 PHE O 1 1 17 9535 1 1 8 LEU C C -1.141 0.449 5.858 1.00 . A A . 8 LEU C 1 1 17 9536 1 1 8 LEU CA C -2.292 1.324 6.356 1.00 . A A . 8 LEU CA 1 1 17 9537 1 1 8 LEU CB C -2.155 1.600 7.863 1.00 . A A . 8 LEU CB 1 1 17 9538 1 1 8 LEU CD1 C -0.608 3.566 7.555 1.00 . A A . 8 LEU CD1 1 1 17 9539 1 1 8 LEU CD2 C -0.628 2.312 9.712 1.00 . A A . 8 LEU CD2 1 1 17 9540 1 1 8 LEU CG C -0.769 2.185 8.195 1.00 . A A . 8 LEU CG 1 1 17 9541 1 1 8 LEU H H -3.910 0.020 6.820 1.00 . A A . 8 LEU H 1 1 17 9542 1 1 8 LEU HA H -2.279 2.271 5.821 1.00 . A A . 8 LEU HA 1 1 17 9543 1 1 8 LEU HB2 H -2.927 2.307 8.170 1.00 . A A . 8 LEU HB2 1 1 17 9544 1 1 8 LEU HB3 H -2.289 0.666 8.411 1.00 . A A . 8 LEU HB3 1 1 17 9545 1 1 8 LEU HD11 H -1.446 4.202 7.842 1.00 . A A . 8 LEU HD11 1 1 17 9546 1 1 8 LEU HD12 H 0.322 4.020 7.899 1.00 . A A . 8 LEU HD12 1 1 17 9547 1 1 8 LEU HD13 H -0.580 3.469 6.472 1.00 . A A . 8 LEU HD13 1 1 17 9548 1 1 8 LEU HD21 H -0.737 1.330 10.173 1.00 . A A . 8 LEU HD21 1 1 17 9549 1 1 8 LEU HD22 H 0.355 2.718 9.954 1.00 . A A . 8 LEU HD22 1 1 17 9550 1 1 8 LEU HD23 H -1.400 2.981 10.096 1.00 . A A . 8 LEU HD23 1 1 17 9551 1 1 8 LEU HG H 0.010 1.520 7.821 1.00 . A A . 8 LEU HG 1 1 17 9552 1 1 8 LEU N N -3.569 0.661 6.119 1.00 . A A . 8 LEU N 1 1 17 9553 1 1 8 LEU O O -0.935 -0.653 6.362 1.00 . A A . 8 LEU O 1 1 17 9554 1 1 9 CYS C C 1.941 0.433 5.329 1.00 . A A . 9 CYS C 1 1 17 9555 1 1 9 CYS CA C 0.782 0.239 4.361 1.00 . A A . 9 CYS CA 1 1 17 9556 1 1 9 CYS CB C 1.157 0.774 2.979 1.00 . A A . 9 CYS CB 1 1 17 9557 1 1 9 CYS H H -0.605 1.854 4.477 1.00 . A A . 9 CYS H 1 1 17 9558 1 1 9 CYS HA H 0.550 -0.824 4.281 1.00 . A A . 9 CYS HA 1 1 17 9559 1 1 9 CYS HB2 H 0.353 0.572 2.276 1.00 . A A . 9 CYS HB2 1 1 17 9560 1 1 9 CYS HB3 H 1.333 1.849 3.033 1.00 . A A . 9 CYS HB3 1 1 17 9561 1 1 9 CYS N N -0.380 0.951 4.875 1.00 . A A . 9 CYS N 1 1 17 9562 1 1 9 CYS O O 2.682 1.406 5.208 1.00 . A A . 9 CYS O 1 1 17 9563 1 1 9 CYS SG S 2.668 -0.062 2.426 1.00 . A A . 9 CYS SG 1 1 17 9564 1 1 10 THR C C 4.500 -0.173 6.617 1.00 . A A . 10 THR C 1 1 17 9565 1 1 10 THR CA C 3.144 -0.417 7.287 1.00 . A A . 10 THR CA 1 1 17 9566 1 1 10 THR CB C 3.160 -1.726 8.087 1.00 . A A . 10 THR CB 1 1 17 9567 1 1 10 THR CG2 C 4.045 -1.570 9.325 1.00 . A A . 10 THR CG2 1 1 17 9568 1 1 10 THR H H 1.443 -1.267 6.334 1.00 . A A . 10 THR H 1 1 17 9569 1 1 10 THR HA H 2.929 0.409 7.966 1.00 . A A . 10 THR HA 1 1 17 9570 1 1 10 THR HB H 3.548 -2.531 7.461 1.00 . A A . 10 THR HB 1 1 17 9571 1 1 10 THR HG1 H 1.519 -1.341 9.058 1.00 . A A . 10 THR HG1 1 1 17 9572 1 1 10 THR HG21 H 3.675 -0.747 9.938 1.00 . A A . 10 THR HG21 1 1 17 9573 1 1 10 THR HG22 H 4.023 -2.493 9.905 1.00 . A A . 10 THR HG22 1 1 17 9574 1 1 10 THR HG23 H 5.070 -1.361 9.017 1.00 . A A . 10 THR HG23 1 1 17 9575 1 1 10 THR N N 2.088 -0.488 6.288 1.00 . A A . 10 THR N 1 1 17 9576 1 1 10 THR O O 5.022 -1.048 5.930 1.00 . A A . 10 THR O 1 1 17 9577 1 1 10 THR OG1 O 1.844 -2.044 8.488 1.00 . A A . 10 THR OG1 1 1 17 9578 1 1 11 ALA C C 6.882 2.608 7.032 1.00 . A A . 11 ALA C 1 1 17 9579 1 1 11 ALA CA C 6.346 1.395 6.263 1.00 . A A . 11 ALA CA 1 1 17 9580 1 1 11 ALA CB C 6.185 1.704 4.773 1.00 . A A . 11 ALA CB 1 1 17 9581 1 1 11 ALA H H 4.580 1.711 7.391 1.00 . A A . 11 ALA H 1 1 17 9582 1 1 11 ALA HA H 7.035 0.559 6.381 1.00 . A A . 11 ALA HA 1 1 17 9583 1 1 11 ALA HB1 H 5.316 2.341 4.625 1.00 . A A . 11 ALA HB1 1 1 17 9584 1 1 11 ALA HB2 H 7.076 2.210 4.405 1.00 . A A . 11 ALA HB2 1 1 17 9585 1 1 11 ALA HB3 H 6.045 0.773 4.222 1.00 . A A . 11 ALA HB3 1 1 17 9586 1 1 11 ALA N N 5.060 1.027 6.823 1.00 . A A . 11 ALA N 1 1 17 9587 1 1 11 ALA O O 6.093 3.416 7.520 1.00 . A A . 11 ALA O 1 1 17 9588 1 1 12 PRO C C 8.668 5.157 7.226 1.00 . A A . 12 PRO C 1 1 17 9589 1 1 12 PRO CA C 8.848 3.803 7.914 1.00 . A A . 12 PRO CA 1 1 17 9590 1 1 12 PRO CB C 10.326 3.410 7.988 1.00 . A A . 12 PRO CB 1 1 17 9591 1 1 12 PRO CD C 9.169 1.811 6.566 1.00 . A A . 12 PRO CD 1 1 17 9592 1 1 12 PRO CG C 10.539 2.418 6.846 1.00 . A A . 12 PRO CG 1 1 17 9593 1 1 12 PRO HA H 8.426 3.842 8.920 1.00 . A A . 12 PRO HA 1 1 17 9594 1 1 12 PRO HB2 H 10.968 4.283 7.865 1.00 . A A . 12 PRO HB2 1 1 17 9595 1 1 12 PRO HB3 H 10.533 2.926 8.944 1.00 . A A . 12 PRO HB3 1 1 17 9596 1 1 12 PRO HD2 H 9.007 1.726 5.492 1.00 . A A . 12 PRO HD2 1 1 17 9597 1 1 12 PRO HD3 H 9.090 0.833 7.040 1.00 . A A . 12 PRO HD3 1 1 17 9598 1 1 12 PRO HG2 H 10.892 2.947 5.961 1.00 . A A . 12 PRO HG2 1 1 17 9599 1 1 12 PRO HG3 H 11.249 1.645 7.137 1.00 . A A . 12 PRO HG3 1 1 17 9600 1 1 12 PRO N N 8.217 2.733 7.156 1.00 . A A . 12 PRO N 1 1 17 9601 1 1 12 PRO O O 7.795 5.934 7.604 1.00 . A A . 12 PRO O 1 1 17 9602 1 1 13 GLY C C 8.364 6.765 4.478 1.00 . A A . 13 GLY C 1 1 17 9603 1 1 13 GLY CA C 9.482 6.716 5.516 1.00 . A A . 13 GLY CA 1 1 17 9604 1 1 13 GLY H H 10.191 4.758 5.933 1.00 . A A . 13 GLY H 1 1 17 9605 1 1 13 GLY HA2 H 9.333 7.519 6.238 1.00 . A A . 13 GLY HA2 1 1 17 9606 1 1 13 GLY HA3 H 10.439 6.863 5.015 1.00 . A A . 13 GLY HA3 1 1 17 9607 1 1 13 GLY N N 9.506 5.441 6.216 1.00 . A A . 13 GLY N 1 1 17 9608 1 1 13 GLY O O 8.545 7.331 3.403 1.00 . A A . 13 GLY O 1 1 17 9609 1 1 14 CYS C C 4.761 6.138 4.691 1.00 . A A . 14 CYS C 1 1 17 9610 1 1 14 CYS CA C 6.062 6.218 3.892 1.00 . A A . 14 CYS CA 1 1 17 9611 1 1 14 CYS CB C 6.177 5.080 2.879 1.00 . A A . 14 CYS CB 1 1 17 9612 1 1 14 CYS H H 7.108 5.704 5.687 1.00 . A A . 14 CYS H 1 1 17 9613 1 1 14 CYS HA H 6.074 7.163 3.350 1.00 . A A . 14 CYS HA 1 1 17 9614 1 1 14 CYS HB2 H 7.064 5.227 2.262 1.00 . A A . 14 CYS HB2 1 1 17 9615 1 1 14 CYS HB3 H 6.250 4.130 3.399 1.00 . A A . 14 CYS HB3 1 1 17 9616 1 1 14 CYS N N 7.204 6.181 4.795 1.00 . A A . 14 CYS N 1 1 17 9617 1 1 14 CYS O O 4.066 7.138 4.828 1.00 . A A . 14 CYS O 1 1 17 9618 1 1 14 CYS SG S 4.707 5.085 1.829 1.00 . A A . 14 CYS SG 1 1 17 9619 1 1 15 GLY C C 2.000 5.380 5.390 1.00 . A A . 15 GLY C 1 1 17 9620 1 1 15 GLY CA C 3.239 4.731 6.019 1.00 . A A . 15 GLY CA 1 1 17 9621 1 1 15 GLY H H 5.051 4.160 5.068 1.00 . A A . 15 GLY H 1 1 17 9622 1 1 15 GLY HA2 H 3.067 3.661 6.118 1.00 . A A . 15 GLY HA2 1 1 17 9623 1 1 15 GLY HA3 H 3.396 5.156 7.010 1.00 . A A . 15 GLY HA3 1 1 17 9624 1 1 15 GLY N N 4.441 4.946 5.217 1.00 . A A . 15 GLY N 1 1 17 9625 1 1 15 GLY O O 1.258 6.075 6.079 1.00 . A A . 15 GLY O 1 1 17 9626 1 1 16 GLN C C -0.613 4.835 3.678 1.00 . A A . 16 GLN C 1 1 17 9627 1 1 16 GLN CA C 0.605 5.715 3.412 1.00 . A A . 16 GLN CA 1 1 17 9628 1 1 16 GLN CB C 0.877 5.836 1.912 1.00 . A A . 16 GLN CB 1 1 17 9629 1 1 16 GLN CD C 2.116 7.176 0.176 1.00 . A A . 16 GLN CD 1 1 17 9630 1 1 16 GLN CG C 1.703 7.097 1.641 1.00 . A A . 16 GLN CG 1 1 17 9631 1 1 16 GLN H H 2.399 4.576 3.550 1.00 . A A . 16 GLN H 1 1 17 9632 1 1 16 GLN HA H 0.412 6.710 3.814 1.00 . A A . 16 GLN HA 1 1 17 9633 1 1 16 GLN HB2 H 1.422 4.959 1.568 1.00 . A A . 16 GLN HB2 1 1 17 9634 1 1 16 GLN HB3 H -0.070 5.907 1.378 1.00 . A A . 16 GLN HB3 1 1 17 9635 1 1 16 GLN HE21 H 0.172 7.274 -0.416 1.00 . A A . 16 GLN HE21 1 1 17 9636 1 1 16 GLN HE22 H 1.357 7.325 -1.704 1.00 . A A . 16 GLN HE22 1 1 17 9637 1 1 16 GLN HG2 H 1.109 7.976 1.893 1.00 . A A . 16 GLN HG2 1 1 17 9638 1 1 16 GLN HG3 H 2.597 7.082 2.266 1.00 . A A . 16 GLN HG3 1 1 17 9639 1 1 16 GLN N N 1.767 5.151 4.086 1.00 . A A . 16 GLN N 1 1 17 9640 1 1 16 GLN NE2 N 1.135 7.265 -0.721 1.00 . A A . 16 GLN NE2 1 1 17 9641 1 1 16 GLN O O -0.482 3.619 3.835 1.00 . A A . 16 GLN O 1 1 17 9642 1 1 16 GLN OE1 O 3.303 7.155 -0.136 1.00 . A A . 16 GLN OE1 1 1 17 9643 1 1 17 ARG C C -4.042 5.050 2.903 1.00 . A A . 17 ARG C 1 1 17 9644 1 1 17 ARG CA C -3.041 4.768 4.012 1.00 . A A . 17 ARG CA 1 1 17 9645 1 1 17 ARG CB C -3.576 5.243 5.367 1.00 . A A . 17 ARG CB 1 1 17 9646 1 1 17 ARG CD C -6.088 5.531 5.437 1.00 . A A . 17 ARG CD 1 1 17 9647 1 1 17 ARG CG C -4.920 4.566 5.704 1.00 . A A . 17 ARG CG 1 1 17 9648 1 1 17 ARG CZ C -6.175 6.869 7.531 1.00 . A A . 17 ARG CZ 1 1 17 9649 1 1 17 ARG H H -1.832 6.458 3.574 1.00 . A A . 17 ARG H 1 1 17 9650 1 1 17 ARG HA H -2.853 3.701 4.058 1.00 . A A . 17 ARG HA 1 1 17 9651 1 1 17 ARG HB2 H -2.851 4.994 6.138 1.00 . A A . 17 ARG HB2 1 1 17 9652 1 1 17 ARG HB3 H -3.705 6.322 5.336 1.00 . A A . 17 ARG HB3 1 1 17 9653 1 1 17 ARG HD2 H -6.115 5.773 4.376 1.00 . A A . 17 ARG HD2 1 1 17 9654 1 1 17 ARG HD3 H -7.024 5.043 5.709 1.00 . A A . 17 ARG HD3 1 1 17 9655 1 1 17 ARG HE H -5.673 7.609 5.699 1.00 . A A . 17 ARG HE 1 1 17 9656 1 1 17 ARG HG2 H -5.047 3.670 5.097 1.00 . A A . 17 ARG HG2 1 1 17 9657 1 1 17 ARG HG3 H -4.922 4.283 6.756 1.00 . A A . 17 ARG HG3 1 1 17 9658 1 1 17 ARG HH11 H -6.600 4.890 7.778 1.00 . A A . 17 ARG HH11 1 1 17 9659 1 1 17 ARG HH12 H -6.699 5.860 9.227 1.00 . A A . 17 ARG HH12 1 1 17 9660 1 1 17 ARG HH21 H -5.794 8.873 7.619 1.00 . A A . 17 ARG HH21 1 1 17 9661 1 1 17 ARG HH22 H -6.219 8.125 9.141 1.00 . A A . 17 ARG HH22 1 1 17 9662 1 1 17 ARG N N -1.794 5.463 3.731 1.00 . A A . 17 ARG N 1 1 17 9663 1 1 17 ARG NE N -5.951 6.780 6.206 1.00 . A A . 17 ARG NE 1 1 17 9664 1 1 17 ARG NH1 N -6.520 5.785 8.236 1.00 . A A . 17 ARG NH1 1 1 17 9665 1 1 17 ARG NH2 N -6.052 8.052 8.147 1.00 . A A . 17 ARG NH2 1 1 17 9666 1 1 17 ARG O O -4.045 6.137 2.327 1.00 . A A . 17 ARG O 1 1 17 9667 1 1 18 PHE C C -7.194 3.541 2.056 1.00 . A A . 18 PHE C 1 1 17 9668 1 1 18 PHE CA C -5.897 4.177 1.571 1.00 . A A . 18 PHE CA 1 1 17 9669 1 1 18 PHE CB C -5.394 3.485 0.298 1.00 . A A . 18 PHE CB 1 1 17 9670 1 1 18 PHE CD1 C -2.922 3.098 0.682 1.00 . A A . 18 PHE CD1 1 1 17 9671 1 1 18 PHE CD2 C -3.597 4.734 -0.989 1.00 . A A . 18 PHE CD2 1 1 17 9672 1 1 18 PHE CE1 C -1.574 3.371 0.408 1.00 . A A . 18 PHE CE1 1 1 17 9673 1 1 18 PHE CE2 C -2.244 5.004 -1.265 1.00 . A A . 18 PHE CE2 1 1 17 9674 1 1 18 PHE CG C -3.938 3.778 -0.014 1.00 . A A . 18 PHE CG 1 1 17 9675 1 1 18 PHE CZ C -1.235 4.322 -0.564 1.00 . A A . 18 PHE CZ 1 1 17 9676 1 1 18 PHE H H -4.834 3.189 3.125 1.00 . A A . 18 PHE H 1 1 17 9677 1 1 18 PHE HA H -6.076 5.232 1.357 1.00 . A A . 18 PHE HA 1 1 17 9678 1 1 18 PHE HB2 H -5.513 2.407 0.418 1.00 . A A . 18 PHE HB2 1 1 17 9679 1 1 18 PHE HB3 H -6.007 3.812 -0.540 1.00 . A A . 18 PHE HB3 1 1 17 9680 1 1 18 PHE HD1 H -3.182 2.373 1.437 1.00 . A A . 18 PHE HD1 1 1 17 9681 1 1 18 PHE HD2 H -4.373 5.261 -1.524 1.00 . A A . 18 PHE HD2 1 1 17 9682 1 1 18 PHE HE1 H -0.798 2.851 0.949 1.00 . A A . 18 PHE HE1 1 1 17 9683 1 1 18 PHE HE2 H -1.983 5.738 -2.013 1.00 . A A . 18 PHE HE2 1 1 17 9684 1 1 18 PHE HZ H -0.197 4.533 -0.772 1.00 . A A . 18 PHE HZ 1 1 17 9685 1 1 18 PHE N N -4.890 4.061 2.609 1.00 . A A . 18 PHE N 1 1 17 9686 1 1 18 PHE O O -7.173 2.701 2.953 1.00 . A A . 18 PHE O 1 1 17 9687 1 1 19 THR C C -9.888 2.088 1.107 1.00 . A A . 19 THR C 1 1 17 9688 1 1 19 THR CA C -9.628 3.412 1.836 1.00 . A A . 19 THR CA 1 1 17 9689 1 1 19 THR CB C -10.706 4.448 1.485 1.00 . A A . 19 THR CB 1 1 17 9690 1 1 19 THR CG2 C -11.997 4.143 2.251 1.00 . A A . 19 THR CG2 1 1 17 9691 1 1 19 THR H H -8.281 4.642 0.738 1.00 . A A . 19 THR H 1 1 17 9692 1 1 19 THR HA H -9.646 3.234 2.912 1.00 . A A . 19 THR HA 1 1 17 9693 1 1 19 THR HB H -10.904 4.416 0.413 1.00 . A A . 19 THR HB 1 1 17 9694 1 1 19 THR HG1 H -10.941 6.373 1.628 1.00 . A A . 19 THR HG1 1 1 17 9695 1 1 19 THR HG21 H -11.787 4.101 3.319 1.00 . A A . 19 THR HG21 1 1 17 9696 1 1 19 THR HG22 H -12.728 4.929 2.056 1.00 . A A . 19 THR HG22 1 1 17 9697 1 1 19 THR HG23 H -12.402 3.186 1.921 1.00 . A A . 19 THR HG23 1 1 17 9698 1 1 19 THR N N -8.321 3.944 1.465 1.00 . A A . 19 THR N 1 1 17 9699 1 1 19 THR O O -10.790 1.345 1.482 1.00 . A A . 19 THR O 1 1 17 9700 1 1 19 THR OG1 O -10.251 5.739 1.837 1.00 . A A . 19 THR OG1 1 1 17 9701 1 1 20 ASN C C -7.959 -0.214 -0.714 1.00 . A A . 20 ASN C 1 1 17 9702 1 1 20 ASN CA C -9.249 0.589 -0.730 1.00 . A A . 20 ASN CA 1 1 17 9703 1 1 20 ASN CB C -9.596 0.972 -2.172 1.00 . A A . 20 ASN CB 1 1 17 9704 1 1 20 ASN CG C -11.104 1.024 -2.378 1.00 . A A . 20 ASN CG 1 1 17 9705 1 1 20 ASN H H -8.361 2.442 -0.196 1.00 . A A . 20 ASN H 1 1 17 9706 1 1 20 ASN HA H -10.053 -0.021 -0.317 1.00 . A A . 20 ASN HA 1 1 17 9707 1 1 20 ASN HB2 H -9.167 1.948 -2.398 1.00 . A A . 20 ASN HB2 1 1 17 9708 1 1 20 ASN HB3 H -9.171 0.234 -2.850 1.00 . A A . 20 ASN HB3 1 1 17 9709 1 1 20 ASN HD21 H -11.064 -0.760 -3.374 1.00 . A A . 20 ASN HD21 1 1 17 9710 1 1 20 ASN HD22 H -12.651 -0.032 -3.171 1.00 . A A . 20 ASN HD22 1 1 17 9711 1 1 20 ASN N N -9.094 1.801 0.062 1.00 . A A . 20 ASN N 1 1 17 9712 1 1 20 ASN ND2 N -11.654 -0.004 -3.026 1.00 . A A . 20 ASN ND2 1 1 17 9713 1 1 20 ASN O O -6.868 0.355 -0.808 1.00 . A A . 20 ASN O 1 1 17 9714 1 1 20 ASN OD1 O -11.757 1.976 -1.960 1.00 . A A . 20 ASN OD1 1 1 17 9715 1 1 21 GLU C C -6.322 -2.381 -2.056 1.00 . A A . 21 GLU C 1 1 17 9716 1 1 21 GLU CA C -6.932 -2.423 -0.655 1.00 . A A . 21 GLU CA 1 1 17 9717 1 1 21 GLU CB C -7.348 -3.849 -0.270 1.00 . A A . 21 GLU CB 1 1 17 9718 1 1 21 GLU CD C -8.813 -5.804 -0.860 1.00 . A A . 21 GLU CD 1 1 17 9719 1 1 21 GLU CG C -8.340 -4.421 -1.290 1.00 . A A . 21 GLU CG 1 1 17 9720 1 1 21 GLU H H -9.001 -1.953 -0.517 1.00 . A A . 21 GLU H 1 1 17 9721 1 1 21 GLU HA H -6.193 -2.067 0.060 1.00 . A A . 21 GLU HA 1 1 17 9722 1 1 21 GLU HB2 H -6.463 -4.485 -0.236 1.00 . A A . 21 GLU HB2 1 1 17 9723 1 1 21 GLU HB3 H -7.815 -3.833 0.713 1.00 . A A . 21 GLU HB3 1 1 17 9724 1 1 21 GLU HG2 H -9.202 -3.759 -1.371 1.00 . A A . 21 GLU HG2 1 1 17 9725 1 1 21 GLU HG3 H -7.857 -4.500 -2.263 1.00 . A A . 21 GLU HG3 1 1 17 9726 1 1 21 GLU N N -8.084 -1.541 -0.613 1.00 . A A . 21 GLU N 1 1 17 9727 1 1 21 GLU O O -5.141 -2.662 -2.226 1.00 . A A . 21 GLU O 1 1 17 9728 1 1 21 GLU OE1 O -7.951 -6.708 -0.813 1.00 . A A . 21 GLU OE1 1 1 17 9729 1 1 21 GLU OE2 O -10.025 -5.931 -0.586 1.00 . A A . 21 GLU OE2 1 1 17 9730 1 1 22 ASP C C -5.523 -0.923 -4.509 1.00 . A A . 22 ASP C 1 1 17 9731 1 1 22 ASP CA C -6.695 -1.897 -4.431 1.00 . A A . 22 ASP CA 1 1 17 9732 1 1 22 ASP CB C -7.860 -1.386 -5.283 1.00 . A A . 22 ASP CB 1 1 17 9733 1 1 22 ASP CG C -9.121 -2.212 -5.054 1.00 . A A . 22 ASP CG 1 1 17 9734 1 1 22 ASP H H -8.109 -1.814 -2.853 1.00 . A A . 22 ASP H 1 1 17 9735 1 1 22 ASP HA H -6.379 -2.876 -4.798 1.00 . A A . 22 ASP HA 1 1 17 9736 1 1 22 ASP HB2 H -8.063 -0.348 -5.018 1.00 . A A . 22 ASP HB2 1 1 17 9737 1 1 22 ASP HB3 H -7.582 -1.438 -6.336 1.00 . A A . 22 ASP HB3 1 1 17 9738 1 1 22 ASP N N -7.139 -2.018 -3.055 1.00 . A A . 22 ASP N 1 1 17 9739 1 1 22 ASP O O -4.502 -1.212 -5.133 1.00 . A A . 22 ASP O 1 1 17 9740 1 1 22 ASP OD1 O -9.839 -1.889 -4.078 1.00 . A A . 22 ASP OD1 1 1 17 9741 1 1 22 ASP OD2 O -9.344 -3.144 -5.854 1.00 . A A . 22 ASP OD2 1 1 17 9742 1 1 23 HIS C C -3.448 0.768 -3.055 1.00 . A A . 23 HIS C 1 1 17 9743 1 1 23 HIS CA C -4.645 1.260 -3.860 1.00 . A A . 23 HIS CA 1 1 17 9744 1 1 23 HIS CB C -5.210 2.548 -3.262 1.00 . A A . 23 HIS CB 1 1 17 9745 1 1 23 HIS CD2 C -6.926 2.817 -5.247 1.00 . A A . 23 HIS CD2 1 1 17 9746 1 1 23 HIS CE1 C -8.326 4.120 -4.308 1.00 . A A . 23 HIS CE1 1 1 17 9747 1 1 23 HIS CG C -6.439 3.039 -3.982 1.00 . A A . 23 HIS CG 1 1 17 9748 1 1 23 HIS H H -6.534 0.422 -3.368 1.00 . A A . 23 HIS H 1 1 17 9749 1 1 23 HIS HA H -4.328 1.450 -4.885 1.00 . A A . 23 HIS HA 1 1 17 9750 1 1 23 HIS HB2 H -5.464 2.366 -2.218 1.00 . A A . 23 HIS HB2 1 1 17 9751 1 1 23 HIS HB3 H -4.443 3.322 -3.308 1.00 . A A . 23 HIS HB3 1 1 17 9752 1 1 23 HIS HD1 H -7.328 4.264 -2.454 1.00 . A A . 23 HIS HD1 1 1 17 9753 1 1 23 HIS HD2 H -6.441 2.191 -5.982 1.00 . A A . 23 HIS HD2 1 1 17 9754 1 1 23 HIS HE1 H -9.182 4.753 -4.124 1.00 . A A . 23 HIS HE1 1 1 17 9755 1 1 23 HIS N N -5.677 0.239 -3.867 1.00 . A A . 23 HIS N 1 1 17 9756 1 1 23 HIS ND1 N -7.366 3.890 -3.390 1.00 . A A . 23 HIS ND1 1 1 17 9757 1 1 23 HIS NE2 N -8.116 3.493 -5.466 1.00 . A A . 23 HIS NE2 1 1 17 9758 1 1 23 HIS O O -2.303 1.063 -3.393 1.00 . A A . 23 HIS O 1 1 17 9759 1 1 24 LEU C C -1.857 -1.572 -1.964 1.00 . A A . 24 LEU C 1 1 17 9760 1 1 24 LEU CA C -2.655 -0.543 -1.162 1.00 . A A . 24 LEU CA 1 1 17 9761 1 1 24 LEU CB C -3.260 -1.194 0.084 1.00 . A A . 24 LEU CB 1 1 17 9762 1 1 24 LEU CD1 C -2.210 -0.155 2.107 1.00 . A A . 24 LEU CD1 1 1 17 9763 1 1 24 LEU CD2 C -2.455 -2.630 1.976 1.00 . A A . 24 LEU CD2 1 1 17 9764 1 1 24 LEU CG C -2.179 -1.358 1.171 1.00 . A A . 24 LEU CG 1 1 17 9765 1 1 24 LEU H H -4.677 -0.200 -1.748 1.00 . A A . 24 LEU H 1 1 17 9766 1 1 24 LEU HA H -1.990 0.264 -0.853 1.00 . A A . 24 LEU HA 1 1 17 9767 1 1 24 LEU HB2 H -4.067 -0.567 0.464 1.00 . A A . 24 LEU HB2 1 1 17 9768 1 1 24 LEU HB3 H -3.662 -2.171 -0.181 1.00 . A A . 24 LEU HB3 1 1 17 9769 1 1 24 LEU HD11 H -3.236 0.071 2.376 1.00 . A A . 24 LEU HD11 1 1 17 9770 1 1 24 LEU HD12 H -1.642 -0.382 3.007 1.00 . A A . 24 LEU HD12 1 1 17 9771 1 1 24 LEU HD13 H -1.768 0.702 1.607 1.00 . A A . 24 LEU HD13 1 1 17 9772 1 1 24 LEU HD21 H -3.443 -2.568 2.430 1.00 . A A . 24 LEU HD21 1 1 17 9773 1 1 24 LEU HD22 H -2.414 -3.496 1.314 1.00 . A A . 24 LEU HD22 1 1 17 9774 1 1 24 LEU HD23 H -1.703 -2.737 2.758 1.00 . A A . 24 LEU HD23 1 1 17 9775 1 1 24 LEU HG H -1.188 -1.427 0.711 1.00 . A A . 24 LEU HG 1 1 17 9776 1 1 24 LEU N N -3.713 0.008 -1.989 1.00 . A A . 24 LEU N 1 1 17 9777 1 1 24 LEU O O -0.664 -1.717 -1.752 1.00 . A A . 24 LEU O 1 1 17 9778 1 1 25 ALA C C -0.831 -2.689 -4.606 1.00 . A A . 25 ALA C 1 1 17 9779 1 1 25 ALA CA C -1.886 -3.311 -3.693 1.00 . A A . 25 ALA CA 1 1 17 9780 1 1 25 ALA CB C -2.948 -4.041 -4.517 1.00 . A A . 25 ALA CB 1 1 17 9781 1 1 25 ALA H H -3.515 -2.120 -3.018 1.00 . A A . 25 ALA H 1 1 17 9782 1 1 25 ALA HA H -1.400 -4.031 -3.032 1.00 . A A . 25 ALA HA 1 1 17 9783 1 1 25 ALA HB1 H -3.714 -4.440 -3.851 1.00 . A A . 25 ALA HB1 1 1 17 9784 1 1 25 ALA HB2 H -3.405 -3.349 -5.221 1.00 . A A . 25 ALA HB2 1 1 17 9785 1 1 25 ALA HB3 H -2.484 -4.861 -5.065 1.00 . A A . 25 ALA HB3 1 1 17 9786 1 1 25 ALA N N -2.525 -2.286 -2.881 1.00 . A A . 25 ALA N 1 1 17 9787 1 1 25 ALA O O 0.338 -3.067 -4.543 1.00 . A A . 25 ALA O 1 1 17 9788 1 1 26 VAL C C 0.793 -0.379 -5.573 1.00 . A A . 26 VAL C 1 1 17 9789 1 1 26 VAL CA C -0.308 -1.080 -6.370 1.00 . A A . 26 VAL CA 1 1 17 9790 1 1 26 VAL CB C -1.058 -0.083 -7.279 1.00 . A A . 26 VAL CB 1 1 17 9791 1 1 26 VAL CG1 C -2.078 -0.838 -8.136 1.00 . A A . 26 VAL CG1 1 1 17 9792 1 1 26 VAL CG2 C -1.784 0.982 -6.445 1.00 . A A . 26 VAL CG2 1 1 17 9793 1 1 26 VAL H H -2.211 -1.458 -5.469 1.00 . A A . 26 VAL H 1 1 17 9794 1 1 26 VAL HA H 0.153 -1.841 -7.000 1.00 . A A . 26 VAL HA 1 1 17 9795 1 1 26 VAL HB H -0.338 0.409 -7.935 1.00 . A A . 26 VAL HB 1 1 17 9796 1 1 26 VAL HG11 H -1.573 -1.627 -8.693 1.00 . A A . 26 VAL HG11 1 1 17 9797 1 1 26 VAL HG12 H -2.843 -1.278 -7.496 1.00 . A A . 26 VAL HG12 1 1 17 9798 1 1 26 VAL HG13 H -2.547 -0.146 -8.837 1.00 . A A . 26 VAL HG13 1 1 17 9799 1 1 26 VAL HG21 H -2.469 0.500 -5.755 1.00 . A A . 26 VAL HG21 1 1 17 9800 1 1 26 VAL HG22 H -1.058 1.576 -5.886 1.00 . A A . 26 VAL HG22 1 1 17 9801 1 1 26 VAL HG23 H -2.346 1.639 -7.109 1.00 . A A . 26 VAL HG23 1 1 17 9802 1 1 26 VAL N N -1.238 -1.736 -5.454 1.00 . A A . 26 VAL N 1 1 17 9803 1 1 26 VAL O O 1.957 -0.387 -5.977 1.00 . A A . 26 VAL O 1 1 17 9804 1 1 27 HIS C C 2.349 -0.076 -2.969 1.00 . A A . 27 HIS C 1 1 17 9805 1 1 27 HIS CA C 1.366 0.919 -3.592 1.00 . A A . 27 HIS CA 1 1 17 9806 1 1 27 HIS CB C 0.591 1.675 -2.518 1.00 . A A . 27 HIS CB 1 1 17 9807 1 1 27 HIS CD2 C 1.799 2.168 -0.255 1.00 . A A . 27 HIS CD2 1 1 17 9808 1 1 27 HIS CE1 C 2.907 3.893 -0.827 1.00 . A A . 27 HIS CE1 1 1 17 9809 1 1 27 HIS CG C 1.490 2.394 -1.563 1.00 . A A . 27 HIS CG 1 1 17 9810 1 1 27 HIS H H -0.548 0.196 -4.151 1.00 . A A . 27 HIS H 1 1 17 9811 1 1 27 HIS HA H 1.923 1.635 -4.197 1.00 . A A . 27 HIS HA 1 1 17 9812 1 1 27 HIS HB2 H -0.063 2.402 -3.001 1.00 . A A . 27 HIS HB2 1 1 17 9813 1 1 27 HIS HB3 H -0.021 0.967 -1.959 1.00 . A A . 27 HIS HB3 1 1 17 9814 1 1 27 HIS HD1 H 2.229 3.970 -2.824 1.00 . A A . 27 HIS HD1 1 1 17 9815 1 1 27 HIS HD2 H 1.395 1.356 0.325 1.00 . A A . 27 HIS HD2 1 1 17 9816 1 1 27 HIS HE1 H 3.568 4.744 -0.808 1.00 . A A . 27 HIS HE1 1 1 17 9817 1 1 27 HIS N N 0.423 0.221 -4.439 1.00 . A A . 27 HIS N 1 1 17 9818 1 1 27 HIS ND1 N 2.219 3.519 -1.920 1.00 . A A . 27 HIS ND1 1 1 17 9819 1 1 27 HIS NE2 N 2.693 3.106 0.232 1.00 . A A . 27 HIS NE2 1 1 17 9820 1 1 27 HIS O O 3.532 0.228 -2.832 1.00 . A A . 27 HIS O 1 1 17 9821 1 1 28 LYS C C 3.702 -2.775 -3.054 1.00 . A A . 28 LYS C 1 1 17 9822 1 1 28 LYS CA C 2.701 -2.297 -2.017 1.00 . A A . 28 LYS CA 1 1 17 9823 1 1 28 LYS CB C 1.848 -3.475 -1.531 1.00 . A A . 28 LYS CB 1 1 17 9824 1 1 28 LYS CD C 0.482 -4.364 0.389 1.00 . A A . 28 LYS CD 1 1 17 9825 1 1 28 LYS CE C 1.031 -5.772 0.098 1.00 . A A . 28 LYS CE 1 1 17 9826 1 1 28 LYS CG C 1.479 -3.281 -0.057 1.00 . A A . 28 LYS CG 1 1 17 9827 1 1 28 LYS H H 0.877 -1.462 -2.723 1.00 . A A . 28 LYS H 1 1 17 9828 1 1 28 LYS HA H 3.244 -1.878 -1.167 1.00 . A A . 28 LYS HA 1 1 17 9829 1 1 28 LYS HB2 H 0.942 -3.544 -2.130 1.00 . A A . 28 LYS HB2 1 1 17 9830 1 1 28 LYS HB3 H 2.420 -4.395 -1.642 1.00 . A A . 28 LYS HB3 1 1 17 9831 1 1 28 LYS HD2 H 0.299 -4.263 1.459 1.00 . A A . 28 LYS HD2 1 1 17 9832 1 1 28 LYS HD3 H -0.458 -4.228 -0.149 1.00 . A A . 28 LYS HD3 1 1 17 9833 1 1 28 LYS HE2 H 0.360 -6.509 0.538 1.00 . A A . 28 LYS HE2 1 1 17 9834 1 1 28 LYS HE3 H 1.067 -5.929 -0.980 1.00 . A A . 28 LYS HE3 1 1 17 9835 1 1 28 LYS HG2 H 2.381 -3.340 0.553 1.00 . A A . 28 LYS HG2 1 1 17 9836 1 1 28 LYS HG3 H 1.025 -2.300 0.072 1.00 . A A . 28 LYS HG3 1 1 17 9837 1 1 28 LYS HZ1 H 3.006 -5.243 0.296 1.00 . A A . 28 LYS HZ1 1 1 17 9838 1 1 28 LYS HZ2 H 2.345 -5.889 1.666 1.00 . A A . 28 LYS HZ2 1 1 17 9839 1 1 28 LYS HZ3 H 2.738 -6.869 0.398 1.00 . A A . 28 LYS HZ3 1 1 17 9840 1 1 28 LYS N N 1.860 -1.265 -2.596 1.00 . A A . 28 LYS N 1 1 17 9841 1 1 28 LYS NZ N 2.382 -5.958 0.661 1.00 . A A . 28 LYS NZ 1 1 17 9842 1 1 28 LYS O O 4.886 -2.819 -2.778 1.00 . A A . 28 LYS O 1 1 17 9843 1 1 29 HIS C C 5.224 -2.645 -5.577 1.00 . A A . 29 HIS C 1 1 17 9844 1 1 29 HIS CA C 4.078 -3.625 -5.319 1.00 . A A . 29 HIS CA 1 1 17 9845 1 1 29 HIS CB C 3.249 -3.836 -6.589 1.00 . A A . 29 HIS CB 1 1 17 9846 1 1 29 HIS CD2 C 3.944 -4.301 -9.089 1.00 . A A . 29 HIS CD2 1 1 17 9847 1 1 29 HIS CE1 C 5.660 -5.521 -8.748 1.00 . A A . 29 HIS CE1 1 1 17 9848 1 1 29 HIS CG C 4.065 -4.402 -7.726 1.00 . A A . 29 HIS CG 1 1 17 9849 1 1 29 HIS H H 2.222 -3.068 -4.427 1.00 . A A . 29 HIS H 1 1 17 9850 1 1 29 HIS HA H 4.499 -4.583 -5.011 1.00 . A A . 29 HIS HA 1 1 17 9851 1 1 29 HIS HB2 H 2.433 -4.523 -6.366 1.00 . A A . 29 HIS HB2 1 1 17 9852 1 1 29 HIS HB3 H 2.829 -2.879 -6.899 1.00 . A A . 29 HIS HB3 1 1 17 9853 1 1 29 HIS HD1 H 5.578 -5.485 -6.638 1.00 . A A . 29 HIS HD1 1 1 17 9854 1 1 29 HIS HD2 H 3.165 -3.743 -9.588 1.00 . A A . 29 HIS HD2 1 1 17 9855 1 1 29 HIS HE1 H 6.533 -6.137 -8.903 1.00 . A A . 29 HIS HE1 1 1 17 9856 1 1 29 HIS N N 3.217 -3.133 -4.251 1.00 . A A . 29 HIS N 1 1 17 9857 1 1 29 HIS ND1 N 5.188 -5.201 -7.526 1.00 . A A . 29 HIS ND1 1 1 17 9858 1 1 29 HIS NE2 N 4.944 -5.003 -9.747 1.00 . A A . 29 HIS NE2 1 1 17 9859 1 1 29 HIS O O 6.345 -3.067 -5.844 1.00 . A A . 29 HIS O 1 1 17 9860 1 1 30 LYS C C 7.129 -0.541 -4.732 1.00 . A A . 30 LYS C 1 1 17 9861 1 1 30 LYS CA C 5.962 -0.317 -5.700 1.00 . A A . 30 LYS CA 1 1 17 9862 1 1 30 LYS CB C 5.340 1.066 -5.499 1.00 . A A . 30 LYS CB 1 1 17 9863 1 1 30 LYS CD C 5.700 3.542 -5.793 1.00 . A A . 30 LYS CD 1 1 17 9864 1 1 30 LYS CE C 4.987 3.774 -4.453 1.00 . A A . 30 LYS CE 1 1 17 9865 1 1 30 LYS CG C 6.366 2.156 -5.829 1.00 . A A . 30 LYS CG 1 1 17 9866 1 1 30 LYS H H 4.001 -1.039 -5.279 1.00 . A A . 30 LYS H 1 1 17 9867 1 1 30 LYS HA H 6.334 -0.394 -6.720 1.00 . A A . 30 LYS HA 1 1 17 9868 1 1 30 LYS HB2 H 4.475 1.172 -6.155 1.00 . A A . 30 LYS HB2 1 1 17 9869 1 1 30 LYS HB3 H 5.022 1.166 -4.465 1.00 . A A . 30 LYS HB3 1 1 17 9870 1 1 30 LYS HD2 H 6.463 4.309 -5.933 1.00 . A A . 30 LYS HD2 1 1 17 9871 1 1 30 LYS HD3 H 4.972 3.611 -6.604 1.00 . A A . 30 LYS HD3 1 1 17 9872 1 1 30 LYS HE2 H 4.678 4.818 -4.392 1.00 . A A . 30 LYS HE2 1 1 17 9873 1 1 30 LYS HE3 H 4.101 3.141 -4.402 1.00 . A A . 30 LYS HE3 1 1 17 9874 1 1 30 LYS HG2 H 7.180 2.124 -5.105 1.00 . A A . 30 LYS HG2 1 1 17 9875 1 1 30 LYS HG3 H 6.769 1.979 -6.827 1.00 . A A . 30 LYS HG3 1 1 17 9876 1 1 30 LYS HZ1 H 6.696 4.043 -3.357 1.00 . A A . 30 LYS HZ1 1 1 17 9877 1 1 30 LYS HZ2 H 5.377 3.654 -2.446 1.00 . A A . 30 LYS HZ2 1 1 17 9878 1 1 30 LYS HZ3 H 6.133 2.493 -3.339 1.00 . A A . 30 LYS HZ3 1 1 17 9879 1 1 30 LYS N N 4.944 -1.337 -5.493 1.00 . A A . 30 LYS N 1 1 17 9880 1 1 30 LYS NZ N 5.867 3.467 -3.309 1.00 . A A . 30 LYS NZ 1 1 17 9881 1 1 30 LYS O O 8.287 -0.374 -5.107 1.00 . A A . 30 LYS O 1 1 17 9882 1 1 31 HIS C C 8.420 -2.590 -2.736 1.00 . A A . 31 HIS C 1 1 17 9883 1 1 31 HIS CA C 7.839 -1.202 -2.484 1.00 . A A . 31 HIS CA 1 1 17 9884 1 1 31 HIS CB C 7.217 -1.134 -1.085 1.00 . A A . 31 HIS CB 1 1 17 9885 1 1 31 HIS CD2 C 5.453 0.715 -0.419 1.00 . A A . 31 HIS CD2 1 1 17 9886 1 1 31 HIS CE1 C 6.762 2.398 -0.332 1.00 . A A . 31 HIS CE1 1 1 17 9887 1 1 31 HIS CG C 6.704 0.238 -0.737 1.00 . A A . 31 HIS CG 1 1 17 9888 1 1 31 HIS H H 5.847 -1.038 -3.224 1.00 . A A . 31 HIS H 1 1 17 9889 1 1 31 HIS HA H 8.635 -0.459 -2.560 1.00 . A A . 31 HIS HA 1 1 17 9890 1 1 31 HIS HB2 H 6.393 -1.842 -1.033 1.00 . A A . 31 HIS HB2 1 1 17 9891 1 1 31 HIS HB3 H 7.971 -1.420 -0.352 1.00 . A A . 31 HIS HB3 1 1 17 9892 1 1 31 HIS HD1 H 8.531 1.367 -0.848 1.00 . A A . 31 HIS HD1 1 1 17 9893 1 1 31 HIS HD2 H 4.557 0.103 -0.370 1.00 . A A . 31 HIS HD2 1 1 17 9894 1 1 31 HIS HE1 H 7.145 3.400 -0.208 1.00 . A A . 31 HIS HE1 1 1 17 9895 1 1 31 HIS N N 6.819 -0.924 -3.485 1.00 . A A . 31 HIS N 1 1 17 9896 1 1 31 HIS ND1 N 7.537 1.350 -0.673 1.00 . A A . 31 HIS ND1 1 1 17 9897 1 1 31 HIS NE2 N 5.479 2.079 -0.162 1.00 . A A . 31 HIS NE2 1 1 17 9898 1 1 31 HIS O O 9.632 -2.752 -2.866 1.00 . A A . 31 HIS O 1 1 17 9899 1 1 32 GLU C C 8.096 -5.206 -4.529 1.00 . A A . 32 GLU C 1 1 17 9900 1 1 32 GLU CA C 7.910 -4.973 -3.029 1.00 . A A . 32 GLU CA 1 1 17 9901 1 1 32 GLU CB C 6.806 -5.880 -2.466 1.00 . A A . 32 GLU CB 1 1 17 9902 1 1 32 GLU CD C 5.214 -5.777 -0.509 1.00 . A A . 32 GLU CD 1 1 17 9903 1 1 32 GLU CG C 6.673 -5.675 -0.948 1.00 . A A . 32 GLU CG 1 1 17 9904 1 1 32 GLU H H 6.559 -3.382 -2.691 1.00 . A A . 32 GLU H 1 1 17 9905 1 1 32 GLU HA H 8.848 -5.185 -2.513 1.00 . A A . 32 GLU HA 1 1 17 9906 1 1 32 GLU HB2 H 5.858 -5.635 -2.948 1.00 . A A . 32 GLU HB2 1 1 17 9907 1 1 32 GLU HB3 H 7.053 -6.923 -2.668 1.00 . A A . 32 GLU HB3 1 1 17 9908 1 1 32 GLU HG2 H 7.255 -6.439 -0.432 1.00 . A A . 32 GLU HG2 1 1 17 9909 1 1 32 GLU HG3 H 7.056 -4.693 -0.676 1.00 . A A . 32 GLU HG3 1 1 17 9910 1 1 32 GLU N N 7.535 -3.589 -2.802 1.00 . A A . 32 GLU N 1 1 17 9911 1 1 32 GLU O O 7.489 -6.112 -5.105 1.00 . A A . 32 GLU O 1 1 17 9912 1 1 32 GLU OE1 O 4.691 -6.913 -0.515 1.00 . A A . 32 GLU OE1 1 1 17 9913 1 1 32 GLU OE2 O 4.642 -4.715 -0.172 1.00 . A A . 32 GLU OE2 1 1 17 9914 1 1 33 MET C C 10.167 -5.634 -6.841 1.00 . A A . 33 MET C 1 1 17 9915 1 1 33 MET CA C 9.195 -4.483 -6.584 1.00 . A A . 33 MET CA 1 1 17 9916 1 1 33 MET CB C 9.755 -3.150 -7.098 1.00 . A A . 33 MET CB 1 1 17 9917 1 1 33 MET CE C 10.212 -2.024 -11.103 1.00 . A A . 33 MET CE 1 1 17 9918 1 1 33 MET CG C 9.778 -3.151 -8.628 1.00 . A A . 33 MET CG 1 1 17 9919 1 1 33 MET H H 9.405 -3.650 -4.636 1.00 . A A . 33 MET H 1 1 17 9920 1 1 33 MET HA H 8.257 -4.690 -7.100 1.00 . A A . 33 MET HA 1 1 17 9921 1 1 33 MET HB2 H 9.120 -2.335 -6.750 1.00 . A A . 33 MET HB2 1 1 17 9922 1 1 33 MET HB3 H 10.766 -3.006 -6.716 1.00 . A A . 33 MET HB3 1 1 17 9923 1 1 33 MET HE1 H 10.810 -2.906 -11.331 1.00 . A A . 33 MET HE1 1 1 17 9924 1 1 33 MET HE2 H 9.164 -2.228 -11.321 1.00 . A A . 33 MET HE2 1 1 17 9925 1 1 33 MET HE3 H 10.554 -1.187 -11.711 1.00 . A A . 33 MET HE3 1 1 17 9926 1 1 33 MET HG2 H 10.412 -3.969 -8.969 1.00 . A A . 33 MET HG2 1 1 17 9927 1 1 33 MET HG3 H 8.764 -3.322 -8.991 1.00 . A A . 33 MET HG3 1 1 17 9928 1 1 33 MET N N 8.935 -4.378 -5.160 1.00 . A A . 33 MET N 1 1 17 9929 1 1 33 MET O O 11.367 -5.417 -7.007 1.00 . A A . 33 MET O 1 1 17 9930 1 1 33 MET SD S 10.393 -1.610 -9.350 1.00 . A A . 33 MET SD 1 1 17 9931 1 1 34 THR C C 10.767 -8.158 -8.615 1.00 . A A . 34 THR C 1 1 17 9932 1 1 34 THR CA C 10.440 -8.053 -7.115 1.00 . A A . 34 THR CA 1 1 17 9933 1 1 34 THR CB C 9.692 -9.295 -6.581 1.00 . A A . 34 THR CB 1 1 17 9934 1 1 34 THR CG2 C 8.257 -9.351 -7.126 1.00 . A A . 34 THR CG2 1 1 17 9935 1 1 34 THR H H 8.645 -6.977 -6.724 1.00 . A A . 34 THR H 1 1 17 9936 1 1 34 THR HA H 11.377 -7.957 -6.565 1.00 . A A . 34 THR HA 1 1 17 9937 1 1 34 THR HB H 9.651 -9.241 -5.493 1.00 . A A . 34 THR HB 1 1 17 9938 1 1 34 THR HG1 H 11.244 -10.465 -6.521 1.00 . A A . 34 THR HG1 1 1 17 9939 1 1 34 THR HG21 H 8.255 -9.144 -8.194 1.00 . A A . 34 THR HG21 1 1 17 9940 1 1 34 THR HG22 H 7.843 -10.344 -6.951 1.00 . A A . 34 THR HG22 1 1 17 9941 1 1 34 THR HG23 H 7.642 -8.612 -6.613 1.00 . A A . 34 THR HG23 1 1 17 9942 1 1 34 THR N N 9.637 -6.863 -6.873 1.00 . A A . 34 THR N 1 1 17 9943 1 1 34 THR O O 10.326 -9.075 -9.304 1.00 . A A . 34 THR O 1 1 17 9944 1 1 34 THR OG1 O 10.386 -10.469 -6.951 1.00 . A A . 34 THR OG1 1 1 17 9945 1 1 35 LEU C C 13.232 -6.336 -10.634 1.00 . A A . 35 LEU C 1 1 17 9946 1 1 35 LEU CA C 11.946 -7.153 -10.510 1.00 . A A . 35 LEU CA 1 1 17 9947 1 1 35 LEU CB C 10.808 -6.533 -11.342 1.00 . A A . 35 LEU CB 1 1 17 9948 1 1 35 LEU CD1 C 9.512 -6.652 -13.476 1.00 . A A . 35 LEU CD1 1 1 17 9949 1 1 35 LEU CD2 C 11.996 -6.907 -13.529 1.00 . A A . 35 LEU CD2 1 1 17 9950 1 1 35 LEU CG C 10.726 -7.199 -12.723 1.00 . A A . 35 LEU CG 1 1 17 9951 1 1 35 LEU H H 11.890 -6.466 -8.498 1.00 . A A . 35 LEU H 1 1 17 9952 1 1 35 LEU HA H 12.134 -8.169 -10.860 1.00 . A A . 35 LEU HA 1 1 17 9953 1 1 35 LEU HB2 H 9.860 -6.682 -10.821 1.00 . A A . 35 LEU HB2 1 1 17 9954 1 1 35 LEU HB3 H 10.982 -5.464 -11.464 1.00 . A A . 35 LEU HB3 1 1 17 9955 1 1 35 LEU HD11 H 8.607 -6.854 -12.903 1.00 . A A . 35 LEU HD11 1 1 17 9956 1 1 35 LEU HD12 H 9.622 -5.577 -13.613 1.00 . A A . 35 LEU HD12 1 1 17 9957 1 1 35 LEU HD13 H 9.438 -7.137 -14.450 1.00 . A A . 35 LEU HD13 1 1 17 9958 1 1 35 LEU HD21 H 12.228 -5.843 -13.473 1.00 . A A . 35 LEU HD21 1 1 17 9959 1 1 35 LEU HD22 H 12.826 -7.483 -13.124 1.00 . A A . 35 LEU HD22 1 1 17 9960 1 1 35 LEU HD23 H 11.838 -7.189 -14.570 1.00 . A A . 35 LEU HD23 1 1 17 9961 1 1 35 LEU HG H 10.616 -8.279 -12.600 1.00 . A A . 35 LEU HG 1 1 17 9962 1 1 35 LEU N N 11.552 -7.197 -9.112 1.00 . A A . 35 LEU N 1 1 17 9963 1 1 35 LEU O O 14.233 -6.825 -11.153 1.00 . A A . 35 LEU O 1 1 17 9964 1 1 36 LYS C C 15.254 -4.531 -8.987 1.00 . A A . 36 LYS C 1 1 17 9965 1 1 36 LYS CA C 14.360 -4.221 -10.182 1.00 . A A . 36 LYS CA 1 1 17 9966 1 1 36 LYS CB C 13.910 -2.758 -10.166 1.00 . A A . 36 LYS CB 1 1 17 9967 1 1 36 LYS CD C 14.693 -0.400 -10.413 1.00 . A A . 36 LYS CD 1 1 17 9968 1 1 36 LYS CE C 15.818 0.569 -10.030 1.00 . A A . 36 LYS CE 1 1 17 9969 1 1 36 LYS CG C 15.137 -1.840 -10.168 1.00 . A A . 36 LYS CG 1 1 17 9970 1 1 36 LYS H H 12.350 -4.736 -9.733 1.00 . A A . 36 LYS H 1 1 17 9971 1 1 36 LYS HA H 14.917 -4.406 -11.102 1.00 . A A . 36 LYS HA 1 1 17 9972 1 1 36 LYS HB2 H 13.305 -2.558 -11.050 1.00 . A A . 36 LYS HB2 1 1 17 9973 1 1 36 LYS HB3 H 13.315 -2.569 -9.271 1.00 . A A . 36 LYS HB3 1 1 17 9974 1 1 36 LYS HD2 H 14.444 -0.274 -11.467 1.00 . A A . 36 LYS HD2 1 1 17 9975 1 1 36 LYS HD3 H 13.813 -0.188 -9.807 1.00 . A A . 36 LYS HD3 1 1 17 9976 1 1 36 LYS HE2 H 15.462 1.594 -10.145 1.00 . A A . 36 LYS HE2 1 1 17 9977 1 1 36 LYS HE3 H 16.092 0.403 -8.986 1.00 . A A . 36 LYS HE3 1 1 17 9978 1 1 36 LYS HG2 H 15.642 -1.904 -9.203 1.00 . A A . 36 LYS HG2 1 1 17 9979 1 1 36 LYS HG3 H 15.822 -2.151 -10.957 1.00 . A A . 36 LYS HG3 1 1 17 9980 1 1 36 LYS HZ1 H 17.306 -0.594 -10.827 1.00 . A A . 36 LYS HZ1 1 1 17 9981 1 1 36 LYS HZ2 H 16.787 0.611 -11.832 1.00 . A A . 36 LYS HZ2 1 1 17 9982 1 1 36 LYS HZ3 H 17.757 0.967 -10.546 1.00 . A A . 36 LYS HZ3 1 1 17 9983 1 1 36 LYS N N 13.200 -5.090 -10.146 1.00 . A A . 36 LYS N 1 1 17 9984 1 1 36 LYS NZ N 17.007 0.375 -10.877 1.00 . A A . 36 LYS NZ 1 1 17 9985 1 1 36 LYS O O 15.019 -4.037 -7.885 1.00 . A A . 36 LYS O 1 1 17 9986 1 1 37 PHE C C 18.505 -4.927 -8.327 1.00 . A A . 37 PHE C 1 1 17 9987 1 1 37 PHE CA C 17.220 -5.738 -8.172 1.00 . A A . 37 PHE CA 1 1 17 9988 1 1 37 PHE CB C 17.495 -7.242 -8.277 1.00 . A A . 37 PHE CB 1 1 17 9989 1 1 37 PHE CD1 C 15.442 -8.142 -7.097 1.00 . A A . 37 PHE CD1 1 1 17 9990 1 1 37 PHE CD2 C 15.843 -8.795 -9.409 1.00 . A A . 37 PHE CD2 1 1 17 9991 1 1 37 PHE CE1 C 14.268 -8.915 -7.084 1.00 . A A . 37 PHE CE1 1 1 17 9992 1 1 37 PHE CE2 C 14.668 -9.566 -9.394 1.00 . A A . 37 PHE CE2 1 1 17 9993 1 1 37 PHE CG C 16.232 -8.081 -8.260 1.00 . A A . 37 PHE CG 1 1 17 9994 1 1 37 PHE CZ C 13.881 -9.627 -8.232 1.00 . A A . 37 PHE CZ 1 1 17 9995 1 1 37 PHE H H 16.416 -5.722 -10.144 1.00 . A A . 37 PHE H 1 1 17 9996 1 1 37 PHE HA H 16.784 -5.527 -7.195 1.00 . A A . 37 PHE HA 1 1 17 9997 1 1 37 PHE HB2 H 18.035 -7.436 -9.204 1.00 . A A . 37 PHE HB2 1 1 17 9998 1 1 37 PHE HB3 H 18.124 -7.542 -7.437 1.00 . A A . 37 PHE HB3 1 1 17 9999 1 1 37 PHE HD1 H 15.738 -7.594 -6.214 1.00 . A A . 37 PHE HD1 1 1 17 10000 1 1 37 PHE HD2 H 16.444 -8.748 -10.305 1.00 . A A . 37 PHE HD2 1 1 17 10001 1 1 37 PHE HE1 H 13.663 -8.961 -6.190 1.00 . A A . 37 PHE HE1 1 1 17 10002 1 1 37 PHE HE2 H 14.369 -10.112 -10.277 1.00 . A A . 37 PHE HE2 1 1 17 10003 1 1 37 PHE HZ H 12.978 -10.220 -8.221 1.00 . A A . 37 PHE HZ 1 1 17 10004 1 1 37 PHE N N 16.279 -5.353 -9.215 1.00 . A A . 37 PHE N 1 1 17 10005 1 1 37 PHE O O 19.603 -5.480 -8.282 1.00 . A A . 37 PHE O 1 1 17 10006 1 1 38 GLY C C 19.068 -1.574 -9.629 1.00 . A A . 38 GLY C 1 1 17 10007 1 1 38 GLY CA C 19.476 -2.711 -8.696 1.00 . A A . 38 GLY CA 1 1 17 10008 1 1 38 GLY H H 17.424 -3.219 -8.536 1.00 . A A . 38 GLY H 1 1 17 10009 1 1 38 GLY HA2 H 19.773 -2.301 -7.731 1.00 . A A . 38 GLY HA2 1 1 17 10010 1 1 38 GLY HA3 H 20.315 -3.252 -9.135 1.00 . A A . 38 GLY HA3 1 1 17 10011 1 1 38 GLY N N 18.353 -3.612 -8.514 1.00 . A A . 38 GLY N 1 1 17 10012 1 1 38 GLY O O 18.446 -1.905 -10.664 1.00 . A A . 38 GLY O 1 1 17 10013 1 1 38 GLY OXT O 19.083 -0.422 -9.145 1.00 . A A . 38 GLY OXT 1 1 18 10014 1 1 1 MET C C -13.475 6.591 9.968 1.00 . A A . 1 MET C 1 1 18 10015 1 1 1 MET CA C -12.085 6.738 10.582 1.00 . A A . 1 MET CA 1 1 18 10016 1 1 1 MET CB C -11.392 8.025 10.096 1.00 . A A . 1 MET CB 1 1 18 10017 1 1 1 MET CE C -7.366 7.842 11.257 1.00 . A A . 1 MET CE 1 1 18 10018 1 1 1 MET CG C -10.063 8.229 10.835 1.00 . A A . 1 MET CG 1 1 18 10019 1 1 1 MET H1 H -11.806 4.713 10.487 1.00 . A A . 1 MET H1 1 1 18 10020 1 1 1 MET H2 H -11.109 5.536 9.234 1.00 . A A . 1 MET H2 1 1 18 10021 1 1 1 MET H3 H -10.414 5.562 10.736 1.00 . A A . 1 MET H3 1 1 18 10022 1 1 1 MET HA H -12.190 6.786 11.667 1.00 . A A . 1 MET HA 1 1 18 10023 1 1 1 MET HB2 H -11.199 7.955 9.024 1.00 . A A . 1 MET HB2 1 1 18 10024 1 1 1 MET HB3 H -12.042 8.879 10.290 1.00 . A A . 1 MET HB3 1 1 18 10025 1 1 1 MET HE1 H -7.272 8.928 11.257 1.00 . A A . 1 MET HE1 1 1 18 10026 1 1 1 MET HE2 H -7.626 7.499 12.258 1.00 . A A . 1 MET HE2 1 1 18 10027 1 1 1 MET HE3 H -6.419 7.396 10.956 1.00 . A A . 1 MET HE3 1 1 18 10028 1 1 1 MET HG2 H -9.833 9.294 10.842 1.00 . A A . 1 MET HG2 1 1 18 10029 1 1 1 MET HG3 H -10.179 7.893 11.866 1.00 . A A . 1 MET HG3 1 1 18 10030 1 1 1 MET N N -11.288 5.546 10.235 1.00 . A A . 1 MET N 1 1 18 10031 1 1 1 MET O O -14.258 5.764 10.427 1.00 . A A . 1 MET O 1 1 18 10032 1 1 1 MET SD S -8.662 7.350 10.095 1.00 . A A . 1 MET SD 1 1 18 10033 1 1 2 SER C C -15.055 5.839 7.571 1.00 . A A . 2 SER C 1 1 18 10034 1 1 2 SER CA C -15.034 7.229 8.206 1.00 . A A . 2 SER CA 1 1 18 10035 1 1 2 SER CB C -15.147 8.325 7.143 1.00 . A A . 2 SER CB 1 1 18 10036 1 1 2 SER H H -13.114 8.059 8.596 1.00 . A A . 2 SER H 1 1 18 10037 1 1 2 SER HA H -15.864 7.320 8.909 1.00 . A A . 2 SER HA 1 1 18 10038 1 1 2 SER HB2 H -15.003 9.300 7.610 1.00 . A A . 2 SER HB2 1 1 18 10039 1 1 2 SER HB3 H -14.383 8.173 6.379 1.00 . A A . 2 SER HB3 1 1 18 10040 1 1 2 SER HG H -16.481 8.972 5.883 1.00 . A A . 2 SER HG 1 1 18 10041 1 1 2 SER N N -13.776 7.370 8.920 1.00 . A A . 2 SER N 1 1 18 10042 1 1 2 SER O O -16.106 5.213 7.450 1.00 . A A . 2 SER O 1 1 18 10043 1 1 2 SER OG O -16.425 8.277 6.545 1.00 . A A . 2 SER OG 1 1 18 10044 1 1 3 ASP C C -13.633 3.017 7.750 1.00 . A A . 3 ASP C 1 1 18 10045 1 1 3 ASP CA C -13.676 4.046 6.620 1.00 . A A . 3 ASP CA 1 1 18 10046 1 1 3 ASP CB C -12.369 4.028 5.819 1.00 . A A . 3 ASP CB 1 1 18 10047 1 1 3 ASP CG C -11.157 4.330 6.705 1.00 . A A . 3 ASP CG 1 1 18 10048 1 1 3 ASP H H -13.039 5.940 7.303 1.00 . A A . 3 ASP H 1 1 18 10049 1 1 3 ASP HA H -14.510 3.817 5.955 1.00 . A A . 3 ASP HA 1 1 18 10050 1 1 3 ASP HB2 H -12.242 3.042 5.368 1.00 . A A . 3 ASP HB2 1 1 18 10051 1 1 3 ASP HB3 H -12.425 4.776 5.028 1.00 . A A . 3 ASP HB3 1 1 18 10052 1 1 3 ASP N N -13.862 5.363 7.186 1.00 . A A . 3 ASP N 1 1 18 10053 1 1 3 ASP O O -13.144 3.313 8.844 1.00 . A A . 3 ASP O 1 1 18 10054 1 1 3 ASP OD1 O -11.224 5.331 7.465 1.00 . A A . 3 ASP OD1 1 1 18 10055 1 1 3 ASP OD2 O -10.178 3.565 6.607 1.00 . A A . 3 ASP OD2 1 1 18 10056 1 1 4 ASP C C -12.772 0.226 8.744 1.00 . A A . 4 ASP C 1 1 18 10057 1 1 4 ASP CA C -14.184 0.751 8.477 1.00 . A A . 4 ASP CA 1 1 18 10058 1 1 4 ASP CB C -15.101 -0.371 7.978 1.00 . A A . 4 ASP CB 1 1 18 10059 1 1 4 ASP CG C -15.053 -1.572 8.915 1.00 . A A . 4 ASP CG 1 1 18 10060 1 1 4 ASP H H -14.529 1.625 6.570 1.00 . A A . 4 ASP H 1 1 18 10061 1 1 4 ASP HA H -14.592 1.150 9.407 1.00 . A A . 4 ASP HA 1 1 18 10062 1 1 4 ASP HB2 H -16.125 0.000 7.926 1.00 . A A . 4 ASP HB2 1 1 18 10063 1 1 4 ASP HB3 H -14.784 -0.681 6.982 1.00 . A A . 4 ASP HB3 1 1 18 10064 1 1 4 ASP N N -14.147 1.813 7.485 1.00 . A A . 4 ASP N 1 1 18 10065 1 1 4 ASP O O -12.223 0.445 9.821 1.00 . A A . 4 ASP O 1 1 18 10066 1 1 4 ASP OD1 O -15.675 -1.476 9.993 1.00 . A A . 4 ASP OD1 1 1 18 10067 1 1 4 ASP OD2 O -14.392 -2.562 8.534 1.00 . A A . 4 ASP OD2 1 1 18 10068 1 1 5 LYS C C -9.800 -0.045 7.433 1.00 . A A . 5 LYS C 1 1 18 10069 1 1 5 LYS CA C -10.867 -1.056 7.886 1.00 . A A . 5 LYS CA 1 1 18 10070 1 1 5 LYS CB C -10.813 -2.327 7.027 1.00 . A A . 5 LYS CB 1 1 18 10071 1 1 5 LYS CD C -8.643 -2.870 5.889 1.00 . A A . 5 LYS CD 1 1 18 10072 1 1 5 LYS CE C -7.279 -3.545 6.056 1.00 . A A . 5 LYS CE 1 1 18 10073 1 1 5 LYS CG C -9.452 -3.021 7.181 1.00 . A A . 5 LYS CG 1 1 18 10074 1 1 5 LYS H H -12.691 -0.609 6.891 1.00 . A A . 5 LYS H 1 1 18 10075 1 1 5 LYS HA H -10.700 -1.330 8.924 1.00 . A A . 5 LYS HA 1 1 18 10076 1 1 5 LYS HB2 H -11.601 -3.009 7.349 1.00 . A A . 5 LYS HB2 1 1 18 10077 1 1 5 LYS HB3 H -10.973 -2.065 5.981 1.00 . A A . 5 LYS HB3 1 1 18 10078 1 1 5 LYS HD2 H -9.182 -3.342 5.065 1.00 . A A . 5 LYS HD2 1 1 18 10079 1 1 5 LYS HD3 H -8.499 -1.812 5.668 1.00 . A A . 5 LYS HD3 1 1 18 10080 1 1 5 LYS HE2 H -6.719 -3.033 6.839 1.00 . A A . 5 LYS HE2 1 1 18 10081 1 1 5 LYS HE3 H -7.427 -4.587 6.345 1.00 . A A . 5 LYS HE3 1 1 18 10082 1 1 5 LYS HG2 H -8.903 -2.577 8.009 1.00 . A A . 5 LYS HG2 1 1 18 10083 1 1 5 LYS HG3 H -9.611 -4.081 7.384 1.00 . A A . 5 LYS HG3 1 1 18 10084 1 1 5 LYS HZ1 H -6.387 -2.539 4.515 1.00 . A A . 5 LYS HZ1 1 1 18 10085 1 1 5 LYS HZ2 H -5.607 -3.926 4.940 1.00 . A A . 5 LYS HZ2 1 1 18 10086 1 1 5 LYS HZ3 H -7.012 -4.003 4.074 1.00 . A A . 5 LYS HZ3 1 1 18 10087 1 1 5 LYS N N -12.194 -0.471 7.758 1.00 . A A . 5 LYS N 1 1 18 10088 1 1 5 LYS NZ N -6.510 -3.498 4.800 1.00 . A A . 5 LYS NZ 1 1 18 10089 1 1 5 LYS O O -9.790 0.341 6.270 1.00 . A A . 5 LYS O 1 1 18 10090 1 1 6 PRO C C -6.819 0.629 7.074 1.00 . A A . 6 PRO C 1 1 18 10091 1 1 6 PRO CA C -7.833 1.310 7.998 1.00 . A A . 6 PRO CA 1 1 18 10092 1 1 6 PRO CB C -7.188 1.710 9.331 1.00 . A A . 6 PRO CB 1 1 18 10093 1 1 6 PRO CD C -8.879 -0.028 9.731 1.00 . A A . 6 PRO CD 1 1 18 10094 1 1 6 PRO CG C -7.761 0.772 10.400 1.00 . A A . 6 PRO CG 1 1 18 10095 1 1 6 PRO HA H -8.250 2.189 7.510 1.00 . A A . 6 PRO HA 1 1 18 10096 1 1 6 PRO HB2 H -6.107 1.596 9.278 1.00 . A A . 6 PRO HB2 1 1 18 10097 1 1 6 PRO HB3 H -7.443 2.743 9.569 1.00 . A A . 6 PRO HB3 1 1 18 10098 1 1 6 PRO HD2 H -8.671 -1.095 9.810 1.00 . A A . 6 PRO HD2 1 1 18 10099 1 1 6 PRO HD3 H -9.831 0.206 10.204 1.00 . A A . 6 PRO HD3 1 1 18 10100 1 1 6 PRO HG2 H -6.983 0.096 10.756 1.00 . A A . 6 PRO HG2 1 1 18 10101 1 1 6 PRO HG3 H -8.161 1.353 11.232 1.00 . A A . 6 PRO HG3 1 1 18 10102 1 1 6 PRO N N -8.894 0.383 8.341 1.00 . A A . 6 PRO N 1 1 18 10103 1 1 6 PRO O O -6.136 -0.308 7.488 1.00 . A A . 6 PRO O 1 1 18 10104 1 1 7 PHE C C -4.411 1.159 5.026 1.00 . A A . 7 PHE C 1 1 18 10105 1 1 7 PHE CA C -5.790 0.523 4.859 1.00 . A A . 7 PHE CA 1 1 18 10106 1 1 7 PHE CB C -6.323 0.733 3.438 1.00 . A A . 7 PHE CB 1 1 18 10107 1 1 7 PHE CD1 C -8.852 0.808 3.507 1.00 . A A . 7 PHE CD1 1 1 18 10108 1 1 7 PHE CD2 C -7.760 -1.209 2.692 1.00 . A A . 7 PHE CD2 1 1 18 10109 1 1 7 PHE CE1 C -10.108 0.212 3.299 1.00 . A A . 7 PHE CE1 1 1 18 10110 1 1 7 PHE CE2 C -9.017 -1.804 2.484 1.00 . A A . 7 PHE CE2 1 1 18 10111 1 1 7 PHE CG C -7.677 0.097 3.205 1.00 . A A . 7 PHE CG 1 1 18 10112 1 1 7 PHE CZ C -10.190 -1.094 2.788 1.00 . A A . 7 PHE CZ 1 1 18 10113 1 1 7 PHE H H -7.296 1.870 5.524 1.00 . A A . 7 PHE H 1 1 18 10114 1 1 7 PHE HA H -5.706 -0.548 5.043 1.00 . A A . 7 PHE HA 1 1 18 10115 1 1 7 PHE HB2 H -6.399 1.799 3.248 1.00 . A A . 7 PHE HB2 1 1 18 10116 1 1 7 PHE HB3 H -5.611 0.305 2.731 1.00 . A A . 7 PHE HB3 1 1 18 10117 1 1 7 PHE HD1 H -8.793 1.809 3.904 1.00 . A A . 7 PHE HD1 1 1 18 10118 1 1 7 PHE HD2 H -6.860 -1.755 2.457 1.00 . A A . 7 PHE HD2 1 1 18 10119 1 1 7 PHE HE1 H -11.010 0.757 3.535 1.00 . A A . 7 PHE HE1 1 1 18 10120 1 1 7 PHE HE2 H -9.080 -2.808 2.093 1.00 . A A . 7 PHE HE2 1 1 18 10121 1 1 7 PHE HZ H -11.154 -1.552 2.629 1.00 . A A . 7 PHE HZ 1 1 18 10122 1 1 7 PHE N N -6.718 1.098 5.822 1.00 . A A . 7 PHE N 1 1 18 10123 1 1 7 PHE O O -3.930 1.854 4.132 1.00 . A A . 7 PHE O 1 1 18 10124 1 1 8 LEU C C -1.424 0.431 5.898 1.00 . A A . 8 LEU C 1 1 18 10125 1 1 8 LEU CA C -2.439 1.418 6.457 1.00 . A A . 8 LEU CA 1 1 18 10126 1 1 8 LEU CB C -2.252 1.586 7.977 1.00 . A A . 8 LEU CB 1 1 18 10127 1 1 8 LEU CD1 C -1.513 3.997 8.011 1.00 . A A . 8 LEU CD1 1 1 18 10128 1 1 8 LEU CD2 C -3.955 3.450 7.842 1.00 . A A . 8 LEU CD2 1 1 18 10129 1 1 8 LEU CG C -2.612 3.013 8.435 1.00 . A A . 8 LEU CG 1 1 18 10130 1 1 8 LEU H H -4.229 0.342 6.883 1.00 . A A . 8 LEU H 1 1 18 10131 1 1 8 LEU HA H -2.307 2.378 5.966 1.00 . A A . 8 LEU HA 1 1 18 10132 1 1 8 LEU HB2 H -2.891 0.871 8.497 1.00 . A A . 8 LEU HB2 1 1 18 10133 1 1 8 LEU HB3 H -1.213 1.384 8.234 1.00 . A A . 8 LEU HB3 1 1 18 10134 1 1 8 LEU HD11 H -0.552 3.661 8.400 1.00 . A A . 8 LEU HD11 1 1 18 10135 1 1 8 LEU HD12 H -1.464 4.052 6.925 1.00 . A A . 8 LEU HD12 1 1 18 10136 1 1 8 LEU HD13 H -1.738 4.986 8.411 1.00 . A A . 8 LEU HD13 1 1 18 10137 1 1 8 LEU HD21 H -4.694 2.668 8.003 1.00 . A A . 8 LEU HD21 1 1 18 10138 1 1 8 LEU HD22 H -4.285 4.366 8.330 1.00 . A A . 8 LEU HD22 1 1 18 10139 1 1 8 LEU HD23 H -3.846 3.630 6.776 1.00 . A A . 8 LEU HD23 1 1 18 10140 1 1 8 LEU HG H -2.688 3.022 9.523 1.00 . A A . 8 LEU HG 1 1 18 10141 1 1 8 LEU N N -3.776 0.910 6.178 1.00 . A A . 8 LEU N 1 1 18 10142 1 1 8 LEU O O -1.378 -0.721 6.327 1.00 . A A . 8 LEU O 1 1 18 10143 1 1 9 CYS C C 1.321 -0.576 5.346 1.00 . A A . 9 CYS C 1 1 18 10144 1 1 9 CYS CA C 0.378 0.011 4.299 1.00 . A A . 9 CYS CA 1 1 18 10145 1 1 9 CYS CB C 1.150 0.800 3.247 1.00 . A A . 9 CYS CB 1 1 18 10146 1 1 9 CYS H H -0.682 1.845 4.623 1.00 . A A . 9 CYS H 1 1 18 10147 1 1 9 CYS HA H -0.141 -0.811 3.805 1.00 . A A . 9 CYS HA 1 1 18 10148 1 1 9 CYS HB2 H 0.475 1.086 2.442 1.00 . A A . 9 CYS HB2 1 1 18 10149 1 1 9 CYS HB3 H 1.576 1.691 3.695 1.00 . A A . 9 CYS HB3 1 1 18 10150 1 1 9 CYS N N -0.611 0.878 4.933 1.00 . A A . 9 CYS N 1 1 18 10151 1 1 9 CYS O O 1.662 -1.752 5.273 1.00 . A A . 9 CYS O 1 1 18 10152 1 1 9 CYS SG S 2.475 -0.244 2.588 1.00 . A A . 9 CYS SG 1 1 18 10153 1 1 10 THR C C 3.871 -0.861 6.821 1.00 . A A . 10 THR C 1 1 18 10154 1 1 10 THR CA C 2.613 -0.195 7.396 1.00 . A A . 10 THR CA 1 1 18 10155 1 1 10 THR CB C 1.840 -1.155 8.321 1.00 . A A . 10 THR CB 1 1 18 10156 1 1 10 THR CG2 C 2.546 -1.252 9.676 1.00 . A A . 10 THR CG2 1 1 18 10157 1 1 10 THR H H 1.425 1.207 6.323 1.00 . A A . 10 THR H 1 1 18 10158 1 1 10 THR HA H 2.914 0.678 7.974 1.00 . A A . 10 THR HA 1 1 18 10159 1 1 10 THR HB H 1.791 -2.145 7.866 1.00 . A A . 10 THR HB 1 1 18 10160 1 1 10 THR HG1 H 0.007 -0.855 7.730 1.00 . A A . 10 THR HG1 1 1 18 10161 1 1 10 THR HG21 H 2.588 -0.265 10.137 1.00 . A A . 10 THR HG21 1 1 18 10162 1 1 10 THR HG22 H 1.991 -1.930 10.326 1.00 . A A . 10 THR HG22 1 1 18 10163 1 1 10 THR HG23 H 3.557 -1.631 9.537 1.00 . A A . 10 THR HG23 1 1 18 10164 1 1 10 THR N N 1.733 0.246 6.319 1.00 . A A . 10 THR N 1 1 18 10165 1 1 10 THR O O 4.159 -2.019 7.118 1.00 . A A . 10 THR O 1 1 18 10166 1 1 10 THR OG1 O 0.527 -0.667 8.519 1.00 . A A . 10 THR OG1 1 1 18 10167 1 1 11 ALA C C 7.021 -0.237 6.339 1.00 . A A . 11 ALA C 1 1 18 10168 1 1 11 ALA CA C 5.856 -0.609 5.409 1.00 . A A . 11 ALA CA 1 1 18 10169 1 1 11 ALA CB C 6.027 0.000 4.010 1.00 . A A . 11 ALA CB 1 1 18 10170 1 1 11 ALA H H 4.333 0.829 5.785 1.00 . A A . 11 ALA H 1 1 18 10171 1 1 11 ALA HA H 5.802 -1.693 5.318 1.00 . A A . 11 ALA HA 1 1 18 10172 1 1 11 ALA HB1 H 5.102 0.489 3.708 1.00 . A A . 11 ALA HB1 1 1 18 10173 1 1 11 ALA HB2 H 6.835 0.730 4.025 1.00 . A A . 11 ALA HB2 1 1 18 10174 1 1 11 ALA HB3 H 6.265 -0.790 3.296 1.00 . A A . 11 ALA HB3 1 1 18 10175 1 1 11 ALA N N 4.619 -0.116 6.000 1.00 . A A . 11 ALA N 1 1 18 10176 1 1 11 ALA O O 6.810 0.465 7.327 1.00 . A A . 11 ALA O 1 1 18 10177 1 1 12 PRO C C 9.627 1.091 7.002 1.00 . A A . 12 PRO C 1 1 18 10178 1 1 12 PRO CA C 9.406 -0.418 6.870 1.00 . A A . 12 PRO CA 1 1 18 10179 1 1 12 PRO CB C 10.593 -1.111 6.192 1.00 . A A . 12 PRO CB 1 1 18 10180 1 1 12 PRO CD C 8.548 -1.529 4.888 1.00 . A A . 12 PRO CD 1 1 18 10181 1 1 12 PRO CG C 10.035 -1.869 4.980 1.00 . A A . 12 PRO CG 1 1 18 10182 1 1 12 PRO HA H 9.253 -0.847 7.859 1.00 . A A . 12 PRO HA 1 1 18 10183 1 1 12 PRO HB2 H 11.325 -0.373 5.865 1.00 . A A . 12 PRO HB2 1 1 18 10184 1 1 12 PRO HB3 H 11.060 -1.812 6.886 1.00 . A A . 12 PRO HB3 1 1 18 10185 1 1 12 PRO HD2 H 8.354 -0.979 3.970 1.00 . A A . 12 PRO HD2 1 1 18 10186 1 1 12 PRO HD3 H 7.952 -2.442 4.914 1.00 . A A . 12 PRO HD3 1 1 18 10187 1 1 12 PRO HG2 H 10.548 -1.550 4.073 1.00 . A A . 12 PRO HG2 1 1 18 10188 1 1 12 PRO HG3 H 10.163 -2.943 5.122 1.00 . A A . 12 PRO HG3 1 1 18 10189 1 1 12 PRO N N 8.252 -0.702 6.041 1.00 . A A . 12 PRO N 1 1 18 10190 1 1 12 PRO O O 9.650 1.617 8.111 1.00 . A A . 12 PRO O 1 1 18 10191 1 1 13 GLY C C 8.739 3.964 5.445 1.00 . A A . 13 GLY C 1 1 18 10192 1 1 13 GLY CA C 10.012 3.222 5.851 1.00 . A A . 13 GLY CA 1 1 18 10193 1 1 13 GLY H H 9.758 1.295 4.981 1.00 . A A . 13 GLY H 1 1 18 10194 1 1 13 GLY HA2 H 10.322 3.556 6.842 1.00 . A A . 13 GLY HA2 1 1 18 10195 1 1 13 GLY HA3 H 10.802 3.453 5.136 1.00 . A A . 13 GLY HA3 1 1 18 10196 1 1 13 GLY N N 9.788 1.781 5.864 1.00 . A A . 13 GLY N 1 1 18 10197 1 1 13 GLY O O 8.488 5.071 5.914 1.00 . A A . 13 GLY O 1 1 18 10198 1 1 14 CYS C C 5.524 3.535 4.931 1.00 . A A . 14 CYS C 1 1 18 10199 1 1 14 CYS CA C 6.709 3.966 4.067 1.00 . A A . 14 CYS CA 1 1 18 10200 1 1 14 CYS CB C 6.498 3.545 2.613 1.00 . A A . 14 CYS CB 1 1 18 10201 1 1 14 CYS H H 8.189 2.437 4.219 1.00 . A A . 14 CYS H 1 1 18 10202 1 1 14 CYS HA H 6.806 5.051 4.110 1.00 . A A . 14 CYS HA 1 1 18 10203 1 1 14 CYS HB2 H 7.377 3.810 2.025 1.00 . A A . 14 CYS HB2 1 1 18 10204 1 1 14 CYS HB3 H 6.338 2.469 2.565 1.00 . A A . 14 CYS HB3 1 1 18 10205 1 1 14 CYS N N 7.940 3.353 4.562 1.00 . A A . 14 CYS N 1 1 18 10206 1 1 14 CYS O O 5.505 2.423 5.436 1.00 . A A . 14 CYS O 1 1 18 10207 1 1 14 CYS SG S 5.051 4.404 1.955 1.00 . A A . 14 CYS SG 1 1 18 10208 1 1 15 GLY C C 2.171 4.948 5.421 1.00 . A A . 15 GLY C 1 1 18 10209 1 1 15 GLY CA C 3.351 4.106 5.887 1.00 . A A . 15 GLY CA 1 1 18 10210 1 1 15 GLY H H 4.589 5.328 4.662 1.00 . A A . 15 GLY H 1 1 18 10211 1 1 15 GLY HA2 H 3.104 3.049 5.776 1.00 . A A . 15 GLY HA2 1 1 18 10212 1 1 15 GLY HA3 H 3.555 4.319 6.938 1.00 . A A . 15 GLY HA3 1 1 18 10213 1 1 15 GLY N N 4.532 4.417 5.095 1.00 . A A . 15 GLY N 1 1 18 10214 1 1 15 GLY O O 1.582 5.680 6.211 1.00 . A A . 15 GLY O 1 1 18 10215 1 1 16 GLN C C -0.605 4.936 3.925 1.00 . A A . 16 GLN C 1 1 18 10216 1 1 16 GLN CA C 0.725 5.603 3.568 1.00 . A A . 16 GLN CA 1 1 18 10217 1 1 16 GLN CB C 0.893 5.710 2.045 1.00 . A A . 16 GLN CB 1 1 18 10218 1 1 16 GLN CD C 2.743 7.452 1.998 1.00 . A A . 16 GLN CD 1 1 18 10219 1 1 16 GLN CG C 1.288 7.141 1.648 1.00 . A A . 16 GLN CG 1 1 18 10220 1 1 16 GLN H H 2.340 4.223 3.524 1.00 . A A . 16 GLN H 1 1 18 10221 1 1 16 GLN HA H 0.737 6.605 3.997 1.00 . A A . 16 GLN HA 1 1 18 10222 1 1 16 GLN HB2 H 1.661 5.015 1.709 1.00 . A A . 16 GLN HB2 1 1 18 10223 1 1 16 GLN HB3 H -0.049 5.462 1.563 1.00 . A A . 16 GLN HB3 1 1 18 10224 1 1 16 GLN HE21 H 4.235 8.776 1.608 1.00 . A A . 16 GLN HE21 1 1 18 10225 1 1 16 GLN HE22 H 2.731 9.065 0.761 1.00 . A A . 16 GLN HE22 1 1 18 10226 1 1 16 GLN HG2 H 1.152 7.256 0.573 1.00 . A A . 16 GLN HG2 1 1 18 10227 1 1 16 GLN HG3 H 0.637 7.849 2.163 1.00 . A A . 16 GLN HG3 1 1 18 10228 1 1 16 GLN N N 1.827 4.842 4.132 1.00 . A A . 16 GLN N 1 1 18 10229 1 1 16 GLN NE2 N 3.280 8.517 1.408 1.00 . A A . 16 GLN NE2 1 1 18 10230 1 1 16 GLN O O -0.639 3.765 4.316 1.00 . A A . 16 GLN O 1 1 18 10231 1 1 16 GLN OE1 O 3.370 6.745 2.781 1.00 . A A . 16 GLN OE1 1 1 18 10232 1 1 17 ARG C C -3.921 5.409 2.876 1.00 . A A . 17 ARG C 1 1 18 10233 1 1 17 ARG CA C -3.039 5.254 4.106 1.00 . A A . 17 ARG CA 1 1 18 10234 1 1 17 ARG CB C -3.569 6.095 5.272 1.00 . A A . 17 ARG CB 1 1 18 10235 1 1 17 ARG CD C -5.970 6.729 4.777 1.00 . A A . 17 ARG CD 1 1 18 10236 1 1 17 ARG CG C -5.048 5.779 5.564 1.00 . A A . 17 ARG CG 1 1 18 10237 1 1 17 ARG CZ C -8.102 6.390 5.998 1.00 . A A . 17 ARG CZ 1 1 18 10238 1 1 17 ARG H H -1.583 6.644 3.443 1.00 . A A . 17 ARG H 1 1 18 10239 1 1 17 ARG HA H -3.015 4.206 4.401 1.00 . A A . 17 ARG HA 1 1 18 10240 1 1 17 ARG HB2 H -2.977 5.877 6.161 1.00 . A A . 17 ARG HB2 1 1 18 10241 1 1 17 ARG HB3 H -3.464 7.146 5.025 1.00 . A A . 17 ARG HB3 1 1 18 10242 1 1 17 ARG HD2 H -5.403 7.599 4.446 1.00 . A A . 17 ARG HD2 1 1 18 10243 1 1 17 ARG HD3 H -6.363 6.213 3.903 1.00 . A A . 17 ARG HD3 1 1 18 10244 1 1 17 ARG HE H -7.086 8.155 5.904 1.00 . A A . 17 ARG HE 1 1 18 10245 1 1 17 ARG HG2 H -5.265 4.748 5.288 1.00 . A A . 17 ARG HG2 1 1 18 10246 1 1 17 ARG HG3 H -5.232 5.909 6.631 1.00 . A A . 17 ARG HG3 1 1 18 10247 1 1 17 ARG HH11 H -7.549 4.801 4.836 1.00 . A A . 17 ARG HH11 1 1 18 10248 1 1 17 ARG HH12 H -8.885 4.500 5.934 1.00 . A A . 17 ARG HH12 1 1 18 10249 1 1 17 ARG HH21 H -8.956 7.798 7.201 1.00 . A A . 17 ARG HH21 1 1 18 10250 1 1 17 ARG HH22 H -9.818 6.275 7.103 1.00 . A A . 17 ARG HH22 1 1 18 10251 1 1 17 ARG N N -1.692 5.703 3.785 1.00 . A A . 17 ARG N 1 1 18 10252 1 1 17 ARG NE N -7.090 7.187 5.611 1.00 . A A . 17 ARG NE 1 1 18 10253 1 1 17 ARG NH1 N -8.183 5.129 5.554 1.00 . A A . 17 ARG NH1 1 1 18 10254 1 1 17 ARG NH2 N -9.032 6.860 6.835 1.00 . A A . 17 ARG NH2 1 1 18 10255 1 1 17 ARG O O -3.748 6.350 2.102 1.00 . A A . 17 ARG O 1 1 18 10256 1 1 18 PHE C C -7.180 4.137 2.024 1.00 . A A . 18 PHE C 1 1 18 10257 1 1 18 PHE CA C -5.768 4.489 1.564 1.00 . A A . 18 PHE CA 1 1 18 10258 1 1 18 PHE CB C -5.262 3.490 0.521 1.00 . A A . 18 PHE CB 1 1 18 10259 1 1 18 PHE CD1 C -2.777 3.240 0.904 1.00 . A A . 18 PHE CD1 1 1 18 10260 1 1 18 PHE CD2 C -3.532 4.505 -1.030 1.00 . A A . 18 PHE CD2 1 1 18 10261 1 1 18 PHE CE1 C -1.445 3.487 0.551 1.00 . A A . 18 PHE CE1 1 1 18 10262 1 1 18 PHE CE2 C -2.194 4.760 -1.380 1.00 . A A . 18 PHE CE2 1 1 18 10263 1 1 18 PHE CG C -3.824 3.745 0.116 1.00 . A A . 18 PHE CG 1 1 18 10264 1 1 18 PHE CZ C -1.151 4.253 -0.587 1.00 . A A . 18 PHE CZ 1 1 18 10265 1 1 18 PHE H H -4.952 3.736 3.382 1.00 . A A . 18 PHE H 1 1 18 10266 1 1 18 PHE HA H -5.782 5.486 1.122 1.00 . A A . 18 PHE HA 1 1 18 10267 1 1 18 PHE HB2 H -5.341 2.483 0.934 1.00 . A A . 18 PHE HB2 1 1 18 10268 1 1 18 PHE HB3 H -5.893 3.555 -0.364 1.00 . A A . 18 PHE HB3 1 1 18 10269 1 1 18 PHE HD1 H -2.999 2.669 1.789 1.00 . A A . 18 PHE HD1 1 1 18 10270 1 1 18 PHE HD2 H -4.333 4.900 -1.635 1.00 . A A . 18 PHE HD2 1 1 18 10271 1 1 18 PHE HE1 H -0.644 3.095 1.162 1.00 . A A . 18 PHE HE1 1 1 18 10272 1 1 18 PHE HE2 H -1.969 5.351 -2.256 1.00 . A A . 18 PHE HE2 1 1 18 10273 1 1 18 PHE HZ H -0.125 4.458 -0.845 1.00 . A A . 18 PHE HZ 1 1 18 10274 1 1 18 PHE N N -4.861 4.480 2.703 1.00 . A A . 18 PHE N 1 1 18 10275 1 1 18 PHE O O -7.416 3.969 3.222 1.00 . A A . 18 PHE O 1 1 18 10276 1 1 19 THR C C -9.891 2.362 0.744 1.00 . A A . 19 THR C 1 1 18 10277 1 1 19 THR CA C -9.507 3.712 1.367 1.00 . A A . 19 THR CA 1 1 18 10278 1 1 19 THR CB C -10.398 4.840 0.822 1.00 . A A . 19 THR CB 1 1 18 10279 1 1 19 THR CG2 C -11.749 4.841 1.543 1.00 . A A . 19 THR CG2 1 1 18 10280 1 1 19 THR H H -7.858 4.181 0.107 1.00 . A A . 19 THR H 1 1 18 10281 1 1 19 THR HA H -9.640 3.650 2.448 1.00 . A A . 19 THR HA 1 1 18 10282 1 1 19 THR HB H -10.557 4.694 -0.247 1.00 . A A . 19 THR HB 1 1 18 10283 1 1 19 THR HG1 H -10.307 6.775 0.646 1.00 . A A . 19 THR HG1 1 1 18 10284 1 1 19 THR HG21 H -11.590 4.909 2.619 1.00 . A A . 19 THR HG21 1 1 18 10285 1 1 19 THR HG22 H -12.337 5.697 1.210 1.00 . A A . 19 THR HG22 1 1 18 10286 1 1 19 THR HG23 H -12.289 3.924 1.313 1.00 . A A . 19 THR HG23 1 1 18 10287 1 1 19 THR N N -8.113 4.031 1.071 1.00 . A A . 19 THR N 1 1 18 10288 1 1 19 THR O O -11.015 1.899 0.923 1.00 . A A . 19 THR O 1 1 18 10289 1 1 19 THR OG1 O -9.764 6.085 1.034 1.00 . A A . 19 THR OG1 1 1 18 10290 1 1 20 ASN C C -7.954 -0.397 -0.652 1.00 . A A . 20 ASN C 1 1 18 10291 1 1 20 ASN CA C -9.221 0.450 -0.639 1.00 . A A . 20 ASN CA 1 1 18 10292 1 1 20 ASN CB C -9.702 0.688 -2.075 1.00 . A A . 20 ASN CB 1 1 18 10293 1 1 20 ASN CG C -11.028 1.439 -2.102 1.00 . A A . 20 ASN CG 1 1 18 10294 1 1 20 ASN H H -8.046 2.141 -0.106 1.00 . A A . 20 ASN H 1 1 18 10295 1 1 20 ASN HA H -9.996 -0.083 -0.087 1.00 . A A . 20 ASN HA 1 1 18 10296 1 1 20 ASN HB2 H -8.952 1.268 -2.609 1.00 . A A . 20 ASN HB2 1 1 18 10297 1 1 20 ASN HB3 H -9.827 -0.273 -2.574 1.00 . A A . 20 ASN HB3 1 1 18 10298 1 1 20 ASN HD21 H -12.066 -0.308 -2.131 1.00 . A A . 20 ASN HD21 1 1 18 10299 1 1 20 ASN HD22 H -13.039 1.146 -2.139 1.00 . A A . 20 ASN HD22 1 1 18 10300 1 1 20 ASN N N -8.958 1.729 0.009 1.00 . A A . 20 ASN N 1 1 18 10301 1 1 20 ASN ND2 N -12.135 0.699 -2.126 1.00 . A A . 20 ASN ND2 1 1 18 10302 1 1 20 ASN O O -6.843 0.137 -0.699 1.00 . A A . 20 ASN O 1 1 18 10303 1 1 20 ASN OD1 O -11.050 2.667 -2.104 1.00 . A A . 20 ASN OD1 1 1 18 10304 1 1 21 GLU C C -6.334 -2.582 -2.031 1.00 . A A . 21 GLU C 1 1 18 10305 1 1 21 GLU CA C -7.014 -2.657 -0.661 1.00 . A A . 21 GLU CA 1 1 18 10306 1 1 21 GLU CB C -7.533 -4.078 -0.393 1.00 . A A . 21 GLU CB 1 1 18 10307 1 1 21 GLU CD C -6.394 -4.484 1.818 1.00 . A A . 21 GLU CD 1 1 18 10308 1 1 21 GLU CG C -6.472 -4.895 0.352 1.00 . A A . 21 GLU CG 1 1 18 10309 1 1 21 GLU H H -9.064 -2.100 -0.575 1.00 . A A . 21 GLU H 1 1 18 10310 1 1 21 GLU HA H -6.294 -2.385 0.110 1.00 . A A . 21 GLU HA 1 1 18 10311 1 1 21 GLU HB2 H -8.438 -4.028 0.213 1.00 . A A . 21 GLU HB2 1 1 18 10312 1 1 21 GLU HB3 H -7.764 -4.564 -1.342 1.00 . A A . 21 GLU HB3 1 1 18 10313 1 1 21 GLU HG2 H -6.732 -5.952 0.293 1.00 . A A . 21 GLU HG2 1 1 18 10314 1 1 21 GLU HG3 H -5.501 -4.740 -0.119 1.00 . A A . 21 GLU HG3 1 1 18 10315 1 1 21 GLU N N -8.129 -1.724 -0.622 1.00 . A A . 21 GLU N 1 1 18 10316 1 1 21 GLU O O -5.139 -2.836 -2.147 1.00 . A A . 21 GLU O 1 1 18 10317 1 1 21 GLU OE1 O -7.369 -4.773 2.546 1.00 . A A . 21 GLU OE1 1 1 18 10318 1 1 21 GLU OE2 O -5.364 -3.886 2.191 1.00 . A A . 21 GLU OE2 1 1 18 10319 1 1 22 ASP C C -5.478 -1.083 -4.472 1.00 . A A . 22 ASP C 1 1 18 10320 1 1 22 ASP CA C -6.602 -2.109 -4.422 1.00 . A A . 22 ASP CA 1 1 18 10321 1 1 22 ASP CB C -7.747 -1.671 -5.335 1.00 . A A . 22 ASP CB 1 1 18 10322 1 1 22 ASP CG C -7.222 -1.227 -6.696 1.00 . A A . 22 ASP CG 1 1 18 10323 1 1 22 ASP H H -8.084 -2.028 -2.906 1.00 . A A . 22 ASP H 1 1 18 10324 1 1 22 ASP HA H -6.223 -3.077 -4.756 1.00 . A A . 22 ASP HA 1 1 18 10325 1 1 22 ASP HB2 H -8.438 -2.502 -5.469 1.00 . A A . 22 ASP HB2 1 1 18 10326 1 1 22 ASP HB3 H -8.274 -0.838 -4.868 1.00 . A A . 22 ASP HB3 1 1 18 10327 1 1 22 ASP N N -7.108 -2.227 -3.065 1.00 . A A . 22 ASP N 1 1 18 10328 1 1 22 ASP O O -4.430 -1.325 -5.069 1.00 . A A . 22 ASP O 1 1 18 10329 1 1 22 ASP OD1 O -7.097 -2.107 -7.573 1.00 . A A . 22 ASP OD1 1 1 18 10330 1 1 22 ASP OD2 O -6.954 -0.010 -6.832 1.00 . A A . 22 ASP OD2 1 1 18 10331 1 1 23 HIS C C -3.528 0.727 -3.017 1.00 . A A . 23 HIS C 1 1 18 10332 1 1 23 HIS CA C -4.735 1.141 -3.846 1.00 . A A . 23 HIS CA 1 1 18 10333 1 1 23 HIS CB C -5.380 2.408 -3.284 1.00 . A A . 23 HIS CB 1 1 18 10334 1 1 23 HIS CD2 C -7.783 3.466 -3.484 1.00 . A A . 23 HIS CD2 1 1 18 10335 1 1 23 HIS CE1 C -8.334 2.727 -5.405 1.00 . A A . 23 HIS CE1 1 1 18 10336 1 1 23 HIS CG C -6.714 2.725 -3.917 1.00 . A A . 23 HIS CG 1 1 18 10337 1 1 23 HIS H H -6.576 0.206 -3.356 1.00 . A A . 23 HIS H 1 1 18 10338 1 1 23 HIS HA H -4.415 1.327 -4.871 1.00 . A A . 23 HIS HA 1 1 18 10339 1 1 23 HIS HB2 H -5.525 2.279 -2.212 1.00 . A A . 23 HIS HB2 1 1 18 10340 1 1 23 HIS HB3 H -4.705 3.248 -3.448 1.00 . A A . 23 HIS HB3 1 1 18 10341 1 1 23 HIS HD1 H -6.553 1.655 -5.787 1.00 . A A . 23 HIS HD1 1 1 18 10342 1 1 23 HIS HD2 H -7.820 3.974 -2.533 1.00 . A A . 23 HIS HD2 1 1 18 10343 1 1 23 HIS HE1 H -8.887 2.519 -6.309 1.00 . A A . 23 HIS HE1 1 1 18 10344 1 1 23 HIS N N -5.706 0.068 -3.846 1.00 . A A . 23 HIS N 1 1 18 10345 1 1 23 HIS ND1 N -7.097 2.249 -5.169 1.00 . A A . 23 HIS ND1 1 1 18 10346 1 1 23 HIS NE2 N -8.812 3.478 -4.412 1.00 . A A . 23 HIS NE2 1 1 18 10347 1 1 23 HIS O O -2.403 1.134 -3.301 1.00 . A A . 23 HIS O 1 1 18 10348 1 1 24 LEU C C -1.872 -1.617 -1.914 1.00 . A A . 24 LEU C 1 1 18 10349 1 1 24 LEU CA C -2.706 -0.590 -1.145 1.00 . A A . 24 LEU CA 1 1 18 10350 1 1 24 LEU CB C -3.318 -1.224 0.105 1.00 . A A . 24 LEU CB 1 1 18 10351 1 1 24 LEU CD1 C -2.349 0.185 1.926 1.00 . A A . 24 LEU CD1 1 1 18 10352 1 1 24 LEU CD2 C -2.672 -2.250 2.297 1.00 . A A . 24 LEU CD2 1 1 18 10353 1 1 24 LEU CG C -2.306 -1.185 1.264 1.00 . A A . 24 LEU CG 1 1 18 10354 1 1 24 LEU H H -4.718 -0.392 -1.804 1.00 . A A . 24 LEU H 1 1 18 10355 1 1 24 LEU HA H -2.068 0.242 -0.849 1.00 . A A . 24 LEU HA 1 1 18 10356 1 1 24 LEU HB2 H -4.215 -0.673 0.388 1.00 . A A . 24 LEU HB2 1 1 18 10357 1 1 24 LEU HB3 H -3.589 -2.256 -0.114 1.00 . A A . 24 LEU HB3 1 1 18 10358 1 1 24 LEU HD11 H -3.376 0.542 1.956 1.00 . A A . 24 LEU HD11 1 1 18 10359 1 1 24 LEU HD12 H -1.964 0.113 2.937 1.00 . A A . 24 LEU HD12 1 1 18 10360 1 1 24 LEU HD13 H -1.737 0.878 1.354 1.00 . A A . 24 LEU HD13 1 1 18 10361 1 1 24 LEU HD21 H -2.711 -3.227 1.816 1.00 . A A . 24 LEU HD21 1 1 18 10362 1 1 24 LEU HD22 H -1.922 -2.265 3.088 1.00 . A A . 24 LEU HD22 1 1 18 10363 1 1 24 LEU HD23 H -3.647 -2.017 2.729 1.00 . A A . 24 LEU HD23 1 1 18 10364 1 1 24 LEU HG H -1.292 -1.368 0.888 1.00 . A A . 24 LEU HG 1 1 18 10365 1 1 24 LEU N N -3.767 -0.094 -1.995 1.00 . A A . 24 LEU N 1 1 18 10366 1 1 24 LEU O O -0.681 -1.749 -1.667 1.00 . A A . 24 LEU O 1 1 18 10367 1 1 25 ALA C C -0.814 -2.728 -4.566 1.00 . A A . 25 ALA C 1 1 18 10368 1 1 25 ALA CA C -1.847 -3.363 -3.638 1.00 . A A . 25 ALA CA 1 1 18 10369 1 1 25 ALA CB C -2.893 -4.134 -4.445 1.00 . A A . 25 ALA CB 1 1 18 10370 1 1 25 ALA H H -3.500 -2.185 -3.003 1.00 . A A . 25 ALA H 1 1 18 10371 1 1 25 ALA HA H -1.340 -4.057 -2.966 1.00 . A A . 25 ALA HA 1 1 18 10372 1 1 25 ALA HB1 H -3.643 -4.545 -3.768 1.00 . A A . 25 ALA HB1 1 1 18 10373 1 1 25 ALA HB2 H -3.375 -3.463 -5.154 1.00 . A A . 25 ALA HB2 1 1 18 10374 1 1 25 ALA HB3 H -2.409 -4.946 -4.985 1.00 . A A . 25 ALA HB3 1 1 18 10375 1 1 25 ALA N N -2.513 -2.342 -2.843 1.00 . A A . 25 ALA N 1 1 18 10376 1 1 25 ALA O O 0.362 -3.072 -4.504 1.00 . A A . 25 ALA O 1 1 18 10377 1 1 26 VAL C C 0.741 -0.384 -5.604 1.00 . A A . 26 VAL C 1 1 18 10378 1 1 26 VAL CA C -0.352 -1.135 -6.370 1.00 . A A . 26 VAL CA 1 1 18 10379 1 1 26 VAL CB C -1.145 -0.177 -7.277 1.00 . A A . 26 VAL CB 1 1 18 10380 1 1 26 VAL CG1 C -2.187 -0.966 -8.076 1.00 . A A . 26 VAL CG1 1 1 18 10381 1 1 26 VAL CG2 C -1.850 0.898 -6.441 1.00 . A A . 26 VAL CG2 1 1 18 10382 1 1 26 VAL H H -2.233 -1.552 -5.441 1.00 . A A . 26 VAL H 1 1 18 10383 1 1 26 VAL HA H 0.121 -1.893 -6.995 1.00 . A A . 26 VAL HA 1 1 18 10384 1 1 26 VAL HB H -0.457 0.307 -7.972 1.00 . A A . 26 VAL HB 1 1 18 10385 1 1 26 VAL HG11 H -1.695 -1.774 -8.619 1.00 . A A . 26 VAL HG11 1 1 18 10386 1 1 26 VAL HG12 H -2.931 -1.385 -7.398 1.00 . A A . 26 VAL HG12 1 1 18 10387 1 1 26 VAL HG13 H -2.680 -0.301 -8.786 1.00 . A A . 26 VAL HG13 1 1 18 10388 1 1 26 VAL HG21 H -2.487 0.424 -5.700 1.00 . A A . 26 VAL HG21 1 1 18 10389 1 1 26 VAL HG22 H -1.109 1.520 -5.938 1.00 . A A . 26 VAL HG22 1 1 18 10390 1 1 26 VAL HG23 H -2.460 1.523 -7.093 1.00 . A A . 26 VAL HG23 1 1 18 10391 1 1 26 VAL N N -1.253 -1.802 -5.430 1.00 . A A . 26 VAL N 1 1 18 10392 1 1 26 VAL O O 1.876 -0.278 -6.075 1.00 . A A . 26 VAL O 1 1 18 10393 1 1 27 HIS C C 2.390 -0.121 -3.052 1.00 . A A . 27 HIS C 1 1 18 10394 1 1 27 HIS CA C 1.336 0.855 -3.588 1.00 . A A . 27 HIS CA 1 1 18 10395 1 1 27 HIS CB C 0.553 1.523 -2.463 1.00 . A A . 27 HIS CB 1 1 18 10396 1 1 27 HIS CD2 C 1.680 1.919 -0.142 1.00 . A A . 27 HIS CD2 1 1 18 10397 1 1 27 HIS CE1 C 2.790 3.680 -0.586 1.00 . A A . 27 HIS CE1 1 1 18 10398 1 1 27 HIS CG C 1.423 2.200 -1.450 1.00 . A A . 27 HIS CG 1 1 18 10399 1 1 27 HIS H H -0.552 0.027 -4.091 1.00 . A A . 27 HIS H 1 1 18 10400 1 1 27 HIS HA H 1.831 1.623 -4.182 1.00 . A A . 27 HIS HA 1 1 18 10401 1 1 27 HIS HB2 H -0.117 2.266 -2.896 1.00 . A A . 27 HIS HB2 1 1 18 10402 1 1 27 HIS HB3 H -0.045 0.768 -1.955 1.00 . A A . 27 HIS HB3 1 1 18 10403 1 1 27 HIS HD1 H 2.198 3.839 -2.606 1.00 . A A . 27 HIS HD1 1 1 18 10404 1 1 27 HIS HD2 H 1.254 1.081 0.382 1.00 . A A . 27 HIS HD2 1 1 18 10405 1 1 27 HIS HE1 H 3.436 4.540 -0.499 1.00 . A A . 27 HIS HE1 1 1 18 10406 1 1 27 HIS N N 0.397 0.135 -4.425 1.00 . A A . 27 HIS N 1 1 18 10407 1 1 27 HIS ND1 N 2.153 3.347 -1.725 1.00 . A A . 27 HIS ND1 1 1 18 10408 1 1 27 HIS NE2 N 2.539 2.843 0.427 1.00 . A A . 27 HIS NE2 1 1 18 10409 1 1 27 HIS O O 3.588 0.146 -3.141 1.00 . A A . 27 HIS O 1 1 18 10410 1 1 28 LYS C C 3.741 -2.785 -3.120 1.00 . A A . 28 LYS C 1 1 18 10411 1 1 28 LYS CA C 2.821 -2.297 -2.003 1.00 . A A . 28 LYS CA 1 1 18 10412 1 1 28 LYS CB C 1.985 -3.475 -1.474 1.00 . A A . 28 LYS CB 1 1 18 10413 1 1 28 LYS CD C 2.959 -3.429 0.891 1.00 . A A . 28 LYS CD 1 1 18 10414 1 1 28 LYS CE C 3.826 -4.628 0.468 1.00 . A A . 28 LYS CE 1 1 18 10415 1 1 28 LYS CG C 1.681 -3.314 0.027 1.00 . A A . 28 LYS CG 1 1 18 10416 1 1 28 LYS H H 0.937 -1.411 -2.449 1.00 . A A . 28 LYS H 1 1 18 10417 1 1 28 LYS HA H 3.426 -1.889 -1.199 1.00 . A A . 28 LYS HA 1 1 18 10418 1 1 28 LYS HB2 H 1.045 -3.518 -2.022 1.00 . A A . 28 LYS HB2 1 1 18 10419 1 1 28 LYS HB3 H 2.524 -4.403 -1.642 1.00 . A A . 28 LYS HB3 1 1 18 10420 1 1 28 LYS HD2 H 3.545 -2.518 0.797 1.00 . A A . 28 LYS HD2 1 1 18 10421 1 1 28 LYS HD3 H 2.668 -3.554 1.936 1.00 . A A . 28 LYS HD3 1 1 18 10422 1 1 28 LYS HE2 H 4.266 -4.426 -0.505 1.00 . A A . 28 LYS HE2 1 1 18 10423 1 1 28 LYS HE3 H 4.629 -4.755 1.196 1.00 . A A . 28 LYS HE3 1 1 18 10424 1 1 28 LYS HG2 H 1.227 -2.336 0.194 1.00 . A A . 28 LYS HG2 1 1 18 10425 1 1 28 LYS HG3 H 0.975 -4.087 0.330 1.00 . A A . 28 LYS HG3 1 1 18 10426 1 1 28 LYS HZ1 H 2.258 -5.755 -0.221 1.00 . A A . 28 LYS HZ1 1 1 18 10427 1 1 28 LYS HZ2 H 3.635 -6.628 0.046 1.00 . A A . 28 LYS HZ2 1 1 18 10428 1 1 28 LYS HZ3 H 2.709 -6.121 1.321 1.00 . A A . 28 LYS HZ3 1 1 18 10429 1 1 28 LYS N N 1.934 -1.257 -2.509 1.00 . A A . 28 LYS N 1 1 18 10430 1 1 28 LYS NZ N 3.043 -5.879 0.401 1.00 . A A . 28 LYS NZ 1 1 18 10431 1 1 28 LYS O O 4.935 -2.961 -2.904 1.00 . A A . 28 LYS O 1 1 18 10432 1 1 29 HIS C C 5.163 -2.642 -5.697 1.00 . A A . 29 HIS C 1 1 18 10433 1 1 29 HIS CA C 3.926 -3.502 -5.452 1.00 . A A . 29 HIS CA 1 1 18 10434 1 1 29 HIS CB C 3.026 -3.516 -6.690 1.00 . A A . 29 HIS CB 1 1 18 10435 1 1 29 HIS CD2 C 3.728 -5.367 -8.427 1.00 . A A . 29 HIS CD2 1 1 18 10436 1 1 29 HIS CE1 C 4.980 -4.192 -9.690 1.00 . A A . 29 HIS CE1 1 1 18 10437 1 1 29 HIS CG C 3.714 -4.103 -7.894 1.00 . A A . 29 HIS CG 1 1 18 10438 1 1 29 HIS H H 2.185 -2.836 -4.431 1.00 . A A . 29 HIS H 1 1 18 10439 1 1 29 HIS HA H 4.247 -4.523 -5.242 1.00 . A A . 29 HIS HA 1 1 18 10440 1 1 29 HIS HB2 H 2.136 -4.106 -6.472 1.00 . A A . 29 HIS HB2 1 1 18 10441 1 1 29 HIS HB3 H 2.723 -2.496 -6.921 1.00 . A A . 29 HIS HB3 1 1 18 10442 1 1 29 HIS HD1 H 4.758 -2.375 -8.638 1.00 . A A . 29 HIS HD1 1 1 18 10443 1 1 29 HIS HD2 H 3.186 -6.205 -8.013 1.00 . A A . 29 HIS HD2 1 1 18 10444 1 1 29 HIS HE1 H 5.642 -3.884 -10.486 1.00 . A A . 29 HIS HE1 1 1 18 10445 1 1 29 HIS N N 3.174 -3.007 -4.311 1.00 . A A . 29 HIS N 1 1 18 10446 1 1 29 HIS ND1 N 4.537 -3.355 -8.731 1.00 . A A . 29 HIS ND1 1 1 18 10447 1 1 29 HIS NE2 N 4.522 -5.439 -9.562 1.00 . A A . 29 HIS NE2 1 1 18 10448 1 1 29 HIS O O 6.245 -3.172 -5.897 1.00 . A A . 29 HIS O 1 1 18 10449 1 1 30 LYS C C 7.213 -0.579 -4.864 1.00 . A A . 30 LYS C 1 1 18 10450 1 1 30 LYS CA C 6.121 -0.404 -5.929 1.00 . A A . 30 LYS CA 1 1 18 10451 1 1 30 LYS CB C 5.609 1.040 -5.954 1.00 . A A . 30 LYS CB 1 1 18 10452 1 1 30 LYS CD C 4.468 2.773 -7.385 1.00 . A A . 30 LYS CD 1 1 18 10453 1 1 30 LYS CE C 3.260 3.083 -6.489 1.00 . A A . 30 LYS CE 1 1 18 10454 1 1 30 LYS CG C 4.864 1.293 -7.272 1.00 . A A . 30 LYS CG 1 1 18 10455 1 1 30 LYS H H 4.091 -0.918 -5.507 1.00 . A A . 30 LYS H 1 1 18 10456 1 1 30 LYS HA H 6.555 -0.638 -6.904 1.00 . A A . 30 LYS HA 1 1 18 10457 1 1 30 LYS HB2 H 4.938 1.203 -5.113 1.00 . A A . 30 LYS HB2 1 1 18 10458 1 1 30 LYS HB3 H 6.456 1.725 -5.882 1.00 . A A . 30 LYS HB3 1 1 18 10459 1 1 30 LYS HD2 H 5.311 3.395 -7.081 1.00 . A A . 30 LYS HD2 1 1 18 10460 1 1 30 LYS HD3 H 4.214 2.999 -8.421 1.00 . A A . 30 LYS HD3 1 1 18 10461 1 1 30 LYS HE2 H 3.484 2.788 -5.465 1.00 . A A . 30 LYS HE2 1 1 18 10462 1 1 30 LYS HE3 H 3.068 4.156 -6.515 1.00 . A A . 30 LYS HE3 1 1 18 10463 1 1 30 LYS HG2 H 5.518 1.036 -8.106 1.00 . A A . 30 LYS HG2 1 1 18 10464 1 1 30 LYS HG3 H 3.974 0.667 -7.313 1.00 . A A . 30 LYS HG3 1 1 18 10465 1 1 30 LYS HZ1 H 1.908 2.549 -7.932 1.00 . A A . 30 LYS HZ1 1 1 18 10466 1 1 30 LYS HZ2 H 2.169 1.374 -6.800 1.00 . A A . 30 LYS HZ2 1 1 18 10467 1 1 30 LYS HZ3 H 1.251 2.695 -6.426 1.00 . A A . 30 LYS HZ3 1 1 18 10468 1 1 30 LYS N N 5.005 -1.313 -5.685 1.00 . A A . 30 LYS N 1 1 18 10469 1 1 30 LYS NZ N 2.053 2.370 -6.949 1.00 . A A . 30 LYS NZ 1 1 18 10470 1 1 30 LYS O O 8.390 -0.358 -5.149 1.00 . A A . 30 LYS O 1 1 18 10471 1 1 31 HIS C C 8.519 -2.529 -2.791 1.00 . A A . 31 HIS C 1 1 18 10472 1 1 31 HIS CA C 7.805 -1.196 -2.575 1.00 . A A . 31 HIS CA 1 1 18 10473 1 1 31 HIS CB C 7.100 -1.182 -1.214 1.00 . A A . 31 HIS CB 1 1 18 10474 1 1 31 HIS CD2 C 5.327 0.560 -0.352 1.00 . A A . 31 HIS CD2 1 1 18 10475 1 1 31 HIS CE1 C 6.462 2.345 -0.611 1.00 . A A . 31 HIS CE1 1 1 18 10476 1 1 31 HIS CG C 6.537 0.166 -0.865 1.00 . A A . 31 HIS CG 1 1 18 10477 1 1 31 HIS H H 5.852 -1.145 -3.444 1.00 . A A . 31 HIS H 1 1 18 10478 1 1 31 HIS HA H 8.544 -0.395 -2.597 1.00 . A A . 31 HIS HA 1 1 18 10479 1 1 31 HIS HB2 H 6.292 -1.911 -1.225 1.00 . A A . 31 HIS HB2 1 1 18 10480 1 1 31 HIS HB3 H 7.819 -1.469 -0.445 1.00 . A A . 31 HIS HB3 1 1 18 10481 1 1 31 HIS HD1 H 8.198 1.431 -1.384 1.00 . A A . 31 HIS HD1 1 1 18 10482 1 1 31 HIS HD2 H 4.518 -0.118 -0.106 1.00 . A A . 31 HIS HD2 1 1 18 10483 1 1 31 HIS HE1 H 6.762 3.383 -0.621 1.00 . A A . 31 HIS HE1 1 1 18 10484 1 1 31 HIS N N 6.835 -0.979 -3.641 1.00 . A A . 31 HIS N 1 1 18 10485 1 1 31 HIS ND1 N 7.258 1.343 -1.025 1.00 . A A . 31 HIS ND1 1 1 18 10486 1 1 31 HIS NE2 N 5.269 1.934 -0.183 1.00 . A A . 31 HIS NE2 1 1 18 10487 1 1 31 HIS O O 9.745 -2.598 -2.713 1.00 . A A . 31 HIS O 1 1 18 10488 1 1 32 GLU C C 9.099 -4.992 -4.560 1.00 . A A . 32 GLU C 1 1 18 10489 1 1 32 GLU CA C 8.279 -4.922 -3.265 1.00 . A A . 32 GLU CA 1 1 18 10490 1 1 32 GLU CB C 7.110 -5.911 -3.304 1.00 . A A . 32 GLU CB 1 1 18 10491 1 1 32 GLU CD C 5.043 -6.579 -1.999 1.00 . A A . 32 GLU CD 1 1 18 10492 1 1 32 GLU CG C 6.436 -5.962 -1.924 1.00 . A A . 32 GLU CG 1 1 18 10493 1 1 32 GLU H H 6.741 -3.455 -3.119 1.00 . A A . 32 GLU H 1 1 18 10494 1 1 32 GLU HA H 8.927 -5.176 -2.425 1.00 . A A . 32 GLU HA 1 1 18 10495 1 1 32 GLU HB2 H 6.387 -5.588 -4.054 1.00 . A A . 32 GLU HB2 1 1 18 10496 1 1 32 GLU HB3 H 7.480 -6.904 -3.563 1.00 . A A . 32 GLU HB3 1 1 18 10497 1 1 32 GLU HG2 H 7.054 -6.556 -1.249 1.00 . A A . 32 GLU HG2 1 1 18 10498 1 1 32 GLU HG3 H 6.350 -4.952 -1.528 1.00 . A A . 32 GLU HG3 1 1 18 10499 1 1 32 GLU N N 7.744 -3.581 -3.059 1.00 . A A . 32 GLU N 1 1 18 10500 1 1 32 GLU O O 10.021 -5.798 -4.663 1.00 . A A . 32 GLU O 1 1 18 10501 1 1 32 GLU OE1 O 4.308 -6.220 -2.942 1.00 . A A . 32 GLU OE1 1 1 18 10502 1 1 32 GLU OE2 O 4.732 -7.391 -1.098 1.00 . A A . 32 GLU OE2 1 1 18 10503 1 1 33 MET C C 10.899 -3.652 -6.618 1.00 . A A . 33 MET C 1 1 18 10504 1 1 33 MET CA C 9.457 -4.118 -6.824 1.00 . A A . 33 MET CA 1 1 18 10505 1 1 33 MET CB C 8.703 -3.177 -7.774 1.00 . A A . 33 MET CB 1 1 18 10506 1 1 33 MET CE C 9.375 -2.698 -11.875 1.00 . A A . 33 MET CE 1 1 18 10507 1 1 33 MET CG C 9.350 -3.183 -9.160 1.00 . A A . 33 MET CG 1 1 18 10508 1 1 33 MET H H 7.994 -3.506 -5.407 1.00 . A A . 33 MET H 1 1 18 10509 1 1 33 MET HA H 9.463 -5.123 -7.250 1.00 . A A . 33 MET HA 1 1 18 10510 1 1 33 MET HB2 H 7.670 -3.511 -7.865 1.00 . A A . 33 MET HB2 1 1 18 10511 1 1 33 MET HB3 H 8.719 -2.163 -7.373 1.00 . A A . 33 MET HB3 1 1 18 10512 1 1 33 MET HE1 H 9.456 -3.777 -11.999 1.00 . A A . 33 MET HE1 1 1 18 10513 1 1 33 MET HE2 H 8.906 -2.266 -12.758 1.00 . A A . 33 MET HE2 1 1 18 10514 1 1 33 MET HE3 H 10.368 -2.271 -11.747 1.00 . A A . 33 MET HE3 1 1 18 10515 1 1 33 MET HG2 H 10.324 -2.699 -9.094 1.00 . A A . 33 MET HG2 1 1 18 10516 1 1 33 MET HG3 H 9.492 -4.218 -9.473 1.00 . A A . 33 MET HG3 1 1 18 10517 1 1 33 MET N N 8.761 -4.148 -5.545 1.00 . A A . 33 MET N 1 1 18 10518 1 1 33 MET O O 11.155 -2.458 -6.495 1.00 . A A . 33 MET O 1 1 18 10519 1 1 33 MET SD S 8.367 -2.331 -10.419 1.00 . A A . 33 MET SD 1 1 18 10520 1 1 34 THR C C 13.830 -3.593 -7.623 1.00 . A A . 34 THR C 1 1 18 10521 1 1 34 THR CA C 13.251 -4.297 -6.390 1.00 . A A . 34 THR CA 1 1 18 10522 1 1 34 THR CB C 14.010 -5.599 -6.111 1.00 . A A . 34 THR CB 1 1 18 10523 1 1 34 THR CG2 C 13.688 -6.094 -4.699 1.00 . A A . 34 THR CG2 1 1 18 10524 1 1 34 THR H H 11.574 -5.571 -6.691 1.00 . A A . 34 THR H 1 1 18 10525 1 1 34 THR HA H 13.357 -3.636 -5.529 1.00 . A A . 34 THR HA 1 1 18 10526 1 1 34 THR HB H 15.083 -5.419 -6.194 1.00 . A A . 34 THR HB 1 1 18 10527 1 1 34 THR HG1 H 14.123 -7.381 -6.879 1.00 . A A . 34 THR HG1 1 1 18 10528 1 1 34 THR HG21 H 13.968 -5.331 -3.972 1.00 . A A . 34 THR HG21 1 1 18 10529 1 1 34 THR HG22 H 12.621 -6.298 -4.617 1.00 . A A . 34 THR HG22 1 1 18 10530 1 1 34 THR HG23 H 14.247 -7.008 -4.498 1.00 . A A . 34 THR HG23 1 1 18 10531 1 1 34 THR N N 11.840 -4.601 -6.584 1.00 . A A . 34 THR N 1 1 18 10532 1 1 34 THR O O 14.889 -2.974 -7.539 1.00 . A A . 34 THR O 1 1 18 10533 1 1 34 THR OG1 O 13.623 -6.580 -7.050 1.00 . A A . 34 THR OG1 1 1 18 10534 1 1 35 LEU C C 13.186 -1.598 -10.011 1.00 . A A . 35 LEU C 1 1 18 10535 1 1 35 LEU CA C 13.585 -3.074 -10.009 1.00 . A A . 35 LEU CA 1 1 18 10536 1 1 35 LEU CB C 12.967 -3.822 -11.205 1.00 . A A . 35 LEU CB 1 1 18 10537 1 1 35 LEU CD1 C 13.701 -6.095 -10.392 1.00 . A A . 35 LEU CD1 1 1 18 10538 1 1 35 LEU CD2 C 13.232 -5.715 -12.816 1.00 . A A . 35 LEU CD2 1 1 18 10539 1 1 35 LEU CG C 13.785 -5.081 -11.538 1.00 . A A . 35 LEU CG 1 1 18 10540 1 1 35 LEU H H 12.270 -4.194 -8.776 1.00 . A A . 35 LEU H 1 1 18 10541 1 1 35 LEU HA H 14.672 -3.145 -10.071 1.00 . A A . 35 LEU HA 1 1 18 10542 1 1 35 LEU HB2 H 11.941 -4.106 -10.966 1.00 . A A . 35 LEU HB2 1 1 18 10543 1 1 35 LEU HB3 H 12.962 -3.166 -12.076 1.00 . A A . 35 LEU HB3 1 1 18 10544 1 1 35 LEU HD11 H 12.667 -6.187 -10.059 1.00 . A A . 35 LEU HD11 1 1 18 10545 1 1 35 LEU HD12 H 14.057 -7.065 -10.740 1.00 . A A . 35 LEU HD12 1 1 18 10546 1 1 35 LEU HD13 H 14.323 -5.762 -9.564 1.00 . A A . 35 LEU HD13 1 1 18 10547 1 1 35 LEU HD21 H 13.286 -4.995 -13.633 1.00 . A A . 35 LEU HD21 1 1 18 10548 1 1 35 LEU HD22 H 13.822 -6.595 -13.070 1.00 . A A . 35 LEU HD22 1 1 18 10549 1 1 35 LEU HD23 H 12.193 -6.008 -12.658 1.00 . A A . 35 LEU HD23 1 1 18 10550 1 1 35 LEU HG H 14.828 -4.803 -11.699 1.00 . A A . 35 LEU HG 1 1 18 10551 1 1 35 LEU N N 13.134 -3.687 -8.766 1.00 . A A . 35 LEU N 1 1 18 10552 1 1 35 LEU O O 12.508 -1.128 -10.922 1.00 . A A . 35 LEU O 1 1 18 10553 1 1 36 LYS C C 14.171 1.340 -9.824 1.00 . A A . 36 LYS C 1 1 18 10554 1 1 36 LYS CA C 13.316 0.539 -8.846 1.00 . A A . 36 LYS CA 1 1 18 10555 1 1 36 LYS CB C 13.599 0.971 -7.407 1.00 . A A . 36 LYS CB 1 1 18 10556 1 1 36 LYS CD C 12.725 0.854 -5.068 1.00 . A A . 36 LYS CD 1 1 18 10557 1 1 36 LYS CE C 12.270 -0.133 -3.988 1.00 . A A . 36 LYS CE 1 1 18 10558 1 1 36 LYS CG C 12.733 0.167 -6.438 1.00 . A A . 36 LYS CG 1 1 18 10559 1 1 36 LYS H H 14.167 -1.314 -8.258 1.00 . A A . 36 LYS H 1 1 18 10560 1 1 36 LYS HA H 12.261 0.709 -9.069 1.00 . A A . 36 LYS HA 1 1 18 10561 1 1 36 LYS HB2 H 14.650 0.793 -7.180 1.00 . A A . 36 LYS HB2 1 1 18 10562 1 1 36 LYS HB3 H 13.377 2.032 -7.299 1.00 . A A . 36 LYS HB3 1 1 18 10563 1 1 36 LYS HD2 H 13.731 1.206 -4.832 1.00 . A A . 36 LYS HD2 1 1 18 10564 1 1 36 LYS HD3 H 12.043 1.706 -5.094 1.00 . A A . 36 LYS HD3 1 1 18 10565 1 1 36 LYS HE2 H 13.033 -0.902 -3.863 1.00 . A A . 36 LYS HE2 1 1 18 10566 1 1 36 LYS HE3 H 12.145 0.401 -3.045 1.00 . A A . 36 LYS HE3 1 1 18 10567 1 1 36 LYS HG2 H 11.714 0.110 -6.822 1.00 . A A . 36 LYS HG2 1 1 18 10568 1 1 36 LYS HG3 H 13.142 -0.838 -6.338 1.00 . A A . 36 LYS HG3 1 1 18 10569 1 1 36 LYS HZ1 H 10.280 -0.073 -4.486 1.00 . A A . 36 LYS HZ1 1 1 18 10570 1 1 36 LYS HZ2 H 11.113 -1.301 -5.207 1.00 . A A . 36 LYS HZ2 1 1 18 10571 1 1 36 LYS HZ3 H 10.711 -1.407 -3.610 1.00 . A A . 36 LYS HZ3 1 1 18 10572 1 1 36 LYS N N 13.614 -0.872 -8.979 1.00 . A A . 36 LYS N 1 1 18 10573 1 1 36 LYS NZ N 10.995 -0.776 -4.350 1.00 . A A . 36 LYS NZ 1 1 18 10574 1 1 36 LYS O O 13.678 2.257 -10.478 1.00 . A A . 36 LYS O 1 1 18 10575 1 1 37 PHE C C 17.572 0.733 -11.087 1.00 . A A . 37 PHE C 1 1 18 10576 1 1 37 PHE CA C 16.393 1.658 -10.803 1.00 . A A . 37 PHE CA 1 1 18 10577 1 1 37 PHE CB C 16.867 2.961 -10.148 1.00 . A A . 37 PHE CB 1 1 18 10578 1 1 37 PHE CD1 C 17.551 4.494 -12.043 1.00 . A A . 37 PHE CD1 1 1 18 10579 1 1 37 PHE CD2 C 19.285 3.550 -10.616 1.00 . A A . 37 PHE CD2 1 1 18 10580 1 1 37 PHE CE1 C 18.533 5.164 -12.791 1.00 . A A . 37 PHE CE1 1 1 18 10581 1 1 37 PHE CE2 C 20.267 4.221 -11.367 1.00 . A A . 37 PHE CE2 1 1 18 10582 1 1 37 PHE CG C 17.925 3.686 -10.954 1.00 . A A . 37 PHE CG 1 1 18 10583 1 1 37 PHE CZ C 19.890 5.028 -12.453 1.00 . A A . 37 PHE CZ 1 1 18 10584 1 1 37 PHE H H 15.803 0.223 -9.352 1.00 . A A . 37 PHE H 1 1 18 10585 1 1 37 PHE HA H 15.891 1.893 -11.743 1.00 . A A . 37 PHE HA 1 1 18 10586 1 1 37 PHE HB2 H 16.010 3.624 -10.025 1.00 . A A . 37 PHE HB2 1 1 18 10587 1 1 37 PHE HB3 H 17.273 2.732 -9.163 1.00 . A A . 37 PHE HB3 1 1 18 10588 1 1 37 PHE HD1 H 16.508 4.599 -12.304 1.00 . A A . 37 PHE HD1 1 1 18 10589 1 1 37 PHE HD2 H 19.576 2.928 -9.781 1.00 . A A . 37 PHE HD2 1 1 18 10590 1 1 37 PHE HE1 H 18.245 5.784 -13.628 1.00 . A A . 37 PHE HE1 1 1 18 10591 1 1 37 PHE HE2 H 21.310 4.115 -11.107 1.00 . A A . 37 PHE HE2 1 1 18 10592 1 1 37 PHE HZ H 20.645 5.543 -13.029 1.00 . A A . 37 PHE HZ 1 1 18 10593 1 1 37 PHE N N 15.458 0.987 -9.915 1.00 . A A . 37 PHE N 1 1 18 10594 1 1 37 PHE O O 17.896 0.472 -12.243 1.00 . A A . 37 PHE O 1 1 18 10595 1 1 38 GLY C C 19.797 -1.101 -8.755 1.00 . A A . 38 GLY C 1 1 18 10596 1 1 38 GLY CA C 19.345 -0.657 -10.142 1.00 . A A . 38 GLY CA 1 1 18 10597 1 1 38 GLY H H 17.901 0.483 -9.091 1.00 . A A . 38 GLY H 1 1 18 10598 1 1 38 GLY HA2 H 19.060 -1.532 -10.727 1.00 . A A . 38 GLY HA2 1 1 18 10599 1 1 38 GLY HA3 H 20.164 -0.139 -10.641 1.00 . A A . 38 GLY HA3 1 1 18 10600 1 1 38 GLY N N 18.210 0.236 -10.021 1.00 . A A . 38 GLY N 1 1 18 10601 1 1 38 GLY O O 20.646 -2.015 -8.702 1.00 . A A . 38 GLY O 1 1 18 10602 1 1 38 GLY OXT O 19.210 -0.584 -7.775 1.00 . A A . 38 GLY OXT 1 1 19 10603 1 1 1 MET C C -6.123 -1.885 12.336 1.00 . A A . 1 MET C 1 1 19 10604 1 1 1 MET CA C -4.737 -2.359 12.757 1.00 . A A . 1 MET CA 1 1 19 10605 1 1 1 MET CB C -4.327 -1.721 14.089 1.00 . A A . 1 MET CB 1 1 19 10606 1 1 1 MET CE C -6.255 -2.179 17.778 1.00 . A A . 1 MET CE 1 1 19 10607 1 1 1 MET CG C -5.320 -2.116 15.188 1.00 . A A . 1 MET CG 1 1 19 10608 1 1 1 MET H1 H -4.042 -2.455 10.832 1.00 . A A . 1 MET H1 1 1 19 10609 1 1 1 MET H2 H -3.730 -1.019 11.588 1.00 . A A . 1 MET H2 1 1 19 10610 1 1 1 MET H3 H -2.848 -2.358 11.972 1.00 . A A . 1 MET H3 1 1 19 10611 1 1 1 MET HA H -4.756 -3.443 12.876 1.00 . A A . 1 MET HA 1 1 19 10612 1 1 1 MET HB2 H -3.331 -2.068 14.364 1.00 . A A . 1 MET HB2 1 1 19 10613 1 1 1 MET HB3 H -4.316 -0.636 13.986 1.00 . A A . 1 MET HB3 1 1 19 10614 1 1 1 MET HE1 H -7.167 -1.721 17.398 1.00 . A A . 1 MET HE1 1 1 19 10615 1 1 1 MET HE2 H -6.320 -3.261 17.670 1.00 . A A . 1 MET HE2 1 1 19 10616 1 1 1 MET HE3 H -6.133 -1.927 18.831 1.00 . A A . 1 MET HE3 1 1 19 10617 1 1 1 MET HG2 H -6.293 -1.685 14.953 1.00 . A A . 1 MET HG2 1 1 19 10618 1 1 1 MET HG3 H -5.413 -3.202 15.201 1.00 . A A . 1 MET HG3 1 1 19 10619 1 1 1 MET N N -3.760 -2.021 11.708 1.00 . A A . 1 MET N 1 1 19 10620 1 1 1 MET O O -6.281 -0.736 11.931 1.00 . A A . 1 MET O 1 1 19 10621 1 1 1 MET SD S -4.834 -1.562 16.841 1.00 . A A . 1 MET SD 1 1 19 10622 1 1 2 SER C C -8.498 -1.881 10.630 1.00 . A A . 2 SER C 1 1 19 10623 1 1 2 SER CA C -8.494 -2.462 12.041 1.00 . A A . 2 SER CA 1 1 19 10624 1 1 2 SER CB C -9.105 -1.481 13.048 1.00 . A A . 2 SER CB 1 1 19 10625 1 1 2 SER H H -6.931 -3.705 12.780 1.00 . A A . 2 SER H 1 1 19 10626 1 1 2 SER HA H -9.080 -3.381 12.045 1.00 . A A . 2 SER HA 1 1 19 10627 1 1 2 SER HB2 H -8.576 -0.529 13.000 1.00 . A A . 2 SER HB2 1 1 19 10628 1 1 2 SER HB3 H -10.157 -1.321 12.803 1.00 . A A . 2 SER HB3 1 1 19 10629 1 1 2 SER HG H -9.532 -2.813 14.398 1.00 . A A . 2 SER HG 1 1 19 10630 1 1 2 SER N N -7.123 -2.777 12.431 1.00 . A A . 2 SER N 1 1 19 10631 1 1 2 SER O O -9.076 -0.821 10.388 1.00 . A A . 2 SER O 1 1 19 10632 1 1 2 SER OG O -9.000 -2.013 14.352 1.00 . A A . 2 SER OG 1 1 19 10633 1 1 3 ASP C C -9.001 -2.501 7.542 1.00 . A A . 3 ASP C 1 1 19 10634 1 1 3 ASP CA C -7.732 -2.141 8.319 1.00 . A A . 3 ASP CA 1 1 19 10635 1 1 3 ASP CB C -6.495 -2.790 7.684 1.00 . A A . 3 ASP CB 1 1 19 10636 1 1 3 ASP CG C -5.220 -2.350 8.397 1.00 . A A . 3 ASP CG 1 1 19 10637 1 1 3 ASP H H -7.395 -3.452 9.955 1.00 . A A . 3 ASP H 1 1 19 10638 1 1 3 ASP HA H -7.607 -1.060 8.303 1.00 . A A . 3 ASP HA 1 1 19 10639 1 1 3 ASP HB2 H -6.585 -3.874 7.748 1.00 . A A . 3 ASP HB2 1 1 19 10640 1 1 3 ASP HB3 H -6.435 -2.498 6.636 1.00 . A A . 3 ASP HB3 1 1 19 10641 1 1 3 ASP N N -7.841 -2.584 9.699 1.00 . A A . 3 ASP N 1 1 19 10642 1 1 3 ASP O O -8.924 -3.026 6.433 1.00 . A A . 3 ASP O 1 1 19 10643 1 1 3 ASP OD1 O -4.913 -2.962 9.448 1.00 . A A . 3 ASP OD1 1 1 19 10644 1 1 3 ASP OD2 O -4.575 -1.411 7.885 1.00 . A A . 3 ASP OD2 1 1 19 10645 1 1 4 ASP C C -11.582 -1.512 6.295 1.00 . A A . 4 ASP C 1 1 19 10646 1 1 4 ASP CA C -11.444 -2.462 7.478 1.00 . A A . 4 ASP CA 1 1 19 10647 1 1 4 ASP CB C -12.579 -2.257 8.489 1.00 . A A . 4 ASP CB 1 1 19 10648 1 1 4 ASP CG C -12.400 -3.161 9.704 1.00 . A A . 4 ASP CG 1 1 19 10649 1 1 4 ASP H H -10.178 -1.784 9.045 1.00 . A A . 4 ASP H 1 1 19 10650 1 1 4 ASP HA H -11.466 -3.493 7.119 1.00 . A A . 4 ASP HA 1 1 19 10651 1 1 4 ASP HB2 H -12.586 -1.218 8.817 1.00 . A A . 4 ASP HB2 1 1 19 10652 1 1 4 ASP HB3 H -13.531 -2.486 8.009 1.00 . A A . 4 ASP HB3 1 1 19 10653 1 1 4 ASP N N -10.169 -2.205 8.125 1.00 . A A . 4 ASP N 1 1 19 10654 1 1 4 ASP O O -11.709 -1.947 5.154 1.00 . A A . 4 ASP O 1 1 19 10655 1 1 4 ASP OD1 O -11.613 -2.767 10.595 1.00 . A A . 4 ASP OD1 1 1 19 10656 1 1 4 ASP OD2 O -13.051 -4.228 9.719 1.00 . A A . 4 ASP OD2 1 1 19 10657 1 1 5 LYS C C -10.227 1.558 5.473 1.00 . A A . 5 LYS C 1 1 19 10658 1 1 5 LYS CA C -11.585 0.833 5.569 1.00 . A A . 5 LYS CA 1 1 19 10659 1 1 5 LYS CB C -12.721 1.823 5.869 1.00 . A A . 5 LYS CB 1 1 19 10660 1 1 5 LYS CD C -14.214 1.597 3.864 1.00 . A A . 5 LYS CD 1 1 19 10661 1 1 5 LYS CE C -14.280 1.940 2.370 1.00 . A A . 5 LYS CE 1 1 19 10662 1 1 5 LYS CG C -13.181 2.488 4.566 1.00 . A A . 5 LYS CG 1 1 19 10663 1 1 5 LYS H H -11.462 0.076 7.548 1.00 . A A . 5 LYS H 1 1 19 10664 1 1 5 LYS HA H -11.787 0.364 4.607 1.00 . A A . 5 LYS HA 1 1 19 10665 1 1 5 LYS HB2 H -13.560 1.292 6.322 1.00 . A A . 5 LYS HB2 1 1 19 10666 1 1 5 LYS HB3 H -12.368 2.590 6.556 1.00 . A A . 5 LYS HB3 1 1 19 10667 1 1 5 LYS HD2 H -13.929 0.550 3.977 1.00 . A A . 5 LYS HD2 1 1 19 10668 1 1 5 LYS HD3 H -15.194 1.752 4.317 1.00 . A A . 5 LYS HD3 1 1 19 10669 1 1 5 LYS HE2 H -13.342 1.651 1.896 1.00 . A A . 5 LYS HE2 1 1 19 10670 1 1 5 LYS HE3 H -15.097 1.379 1.913 1.00 . A A . 5 LYS HE3 1 1 19 10671 1 1 5 LYS HG2 H -13.634 3.454 4.794 1.00 . A A . 5 LYS HG2 1 1 19 10672 1 1 5 LYS HG3 H -12.321 2.637 3.911 1.00 . A A . 5 LYS HG3 1 1 19 10673 1 1 5 LYS HZ1 H -15.314 3.680 2.685 1.00 . A A . 5 LYS HZ1 1 1 19 10674 1 1 5 LYS HZ2 H -13.691 3.901 2.460 1.00 . A A . 5 LYS HZ2 1 1 19 10675 1 1 5 LYS HZ3 H -14.665 3.555 1.173 1.00 . A A . 5 LYS HZ3 1 1 19 10676 1 1 5 LYS N N -11.538 -0.205 6.587 1.00 . A A . 5 LYS N 1 1 19 10677 1 1 5 LYS NZ N -14.506 3.382 2.156 1.00 . A A . 5 LYS NZ 1 1 19 10678 1 1 5 LYS O O -9.768 1.818 4.364 1.00 . A A . 5 LYS O 1 1 19 10679 1 1 6 PRO C C -7.157 1.568 6.404 1.00 . A A . 6 PRO C 1 1 19 10680 1 1 6 PRO CA C -8.290 2.581 6.578 1.00 . A A . 6 PRO CA 1 1 19 10681 1 1 6 PRO CB C -8.191 3.296 7.923 1.00 . A A . 6 PRO CB 1 1 19 10682 1 1 6 PRO CD C -10.034 1.675 7.966 1.00 . A A . 6 PRO CD 1 1 19 10683 1 1 6 PRO CG C -9.191 2.596 8.853 1.00 . A A . 6 PRO CG 1 1 19 10684 1 1 6 PRO HA H -8.269 3.306 5.771 1.00 . A A . 6 PRO HA 1 1 19 10685 1 1 6 PRO HB2 H -7.182 3.220 8.323 1.00 . A A . 6 PRO HB2 1 1 19 10686 1 1 6 PRO HB3 H -8.467 4.342 7.802 1.00 . A A . 6 PRO HB3 1 1 19 10687 1 1 6 PRO HD2 H -9.864 0.638 8.253 1.00 . A A . 6 PRO HD2 1 1 19 10688 1 1 6 PRO HD3 H -11.086 1.929 8.061 1.00 . A A . 6 PRO HD3 1 1 19 10689 1 1 6 PRO HG2 H -8.657 2.007 9.600 1.00 . A A . 6 PRO HG2 1 1 19 10690 1 1 6 PRO HG3 H -9.828 3.333 9.343 1.00 . A A . 6 PRO HG3 1 1 19 10691 1 1 6 PRO N N -9.564 1.905 6.611 1.00 . A A . 6 PRO N 1 1 19 10692 1 1 6 PRO O O -6.618 1.064 7.385 1.00 . A A . 6 PRO O 1 1 19 10693 1 1 7 PHE C C -4.382 0.982 5.070 1.00 . A A . 7 PHE C 1 1 19 10694 1 1 7 PHE CA C -5.738 0.317 4.862 1.00 . A A . 7 PHE CA 1 1 19 10695 1 1 7 PHE CB C -5.892 -0.190 3.429 1.00 . A A . 7 PHE CB 1 1 19 10696 1 1 7 PHE CD1 C -7.422 -2.203 3.443 1.00 . A A . 7 PHE CD1 1 1 19 10697 1 1 7 PHE CD2 C -8.306 -0.057 2.722 1.00 . A A . 7 PHE CD2 1 1 19 10698 1 1 7 PHE CE1 C -8.681 -2.789 3.239 1.00 . A A . 7 PHE CE1 1 1 19 10699 1 1 7 PHE CE2 C -9.566 -0.640 2.524 1.00 . A A . 7 PHE CE2 1 1 19 10700 1 1 7 PHE CG C -7.236 -0.835 3.183 1.00 . A A . 7 PHE CG 1 1 19 10701 1 1 7 PHE CZ C -9.754 -2.008 2.779 1.00 . A A . 7 PHE CZ 1 1 19 10702 1 1 7 PHE H H -7.271 1.716 4.375 1.00 . A A . 7 PHE H 1 1 19 10703 1 1 7 PHE HA H -5.827 -0.529 5.544 1.00 . A A . 7 PHE HA 1 1 19 10704 1 1 7 PHE HB2 H -5.770 0.647 2.741 1.00 . A A . 7 PHE HB2 1 1 19 10705 1 1 7 PHE HB3 H -5.112 -0.922 3.231 1.00 . A A . 7 PHE HB3 1 1 19 10706 1 1 7 PHE HD1 H -6.599 -2.801 3.806 1.00 . A A . 7 PHE HD1 1 1 19 10707 1 1 7 PHE HD2 H -8.165 0.994 2.532 1.00 . A A . 7 PHE HD2 1 1 19 10708 1 1 7 PHE HE1 H -8.827 -3.840 3.444 1.00 . A A . 7 PHE HE1 1 1 19 10709 1 1 7 PHE HE2 H -10.391 -0.035 2.185 1.00 . A A . 7 PHE HE2 1 1 19 10710 1 1 7 PHE HZ H -10.725 -2.458 2.629 1.00 . A A . 7 PHE HZ 1 1 19 10711 1 1 7 PHE N N -6.798 1.272 5.152 1.00 . A A . 7 PHE N 1 1 19 10712 1 1 7 PHE O O -3.952 1.783 4.243 1.00 . A A . 7 PHE O 1 1 19 10713 1 1 8 LEU C C -1.302 0.323 6.000 1.00 . A A . 8 LEU C 1 1 19 10714 1 1 8 LEU CA C -2.422 1.217 6.527 1.00 . A A . 8 LEU CA 1 1 19 10715 1 1 8 LEU CB C -2.326 1.347 8.052 1.00 . A A . 8 LEU CB 1 1 19 10716 1 1 8 LEU CD1 C -3.743 2.142 9.958 1.00 . A A . 8 LEU CD1 1 1 19 10717 1 1 8 LEU CD2 C -2.496 3.796 8.559 1.00 . A A . 8 LEU CD2 1 1 19 10718 1 1 8 LEU CG C -3.255 2.466 8.544 1.00 . A A . 8 LEU CG 1 1 19 10719 1 1 8 LEU H H -4.126 -0.030 6.824 1.00 . A A . 8 LEU H 1 1 19 10720 1 1 8 LEU HA H -2.331 2.206 6.078 1.00 . A A . 8 LEU HA 1 1 19 10721 1 1 8 LEU HB2 H -2.618 0.403 8.513 1.00 . A A . 8 LEU HB2 1 1 19 10722 1 1 8 LEU HB3 H -1.297 1.581 8.333 1.00 . A A . 8 LEU HB3 1 1 19 10723 1 1 8 LEU HD11 H -2.886 2.013 10.620 1.00 . A A . 8 LEU HD11 1 1 19 10724 1 1 8 LEU HD12 H -4.365 2.959 10.325 1.00 . A A . 8 LEU HD12 1 1 19 10725 1 1 8 LEU HD13 H -4.329 1.222 9.939 1.00 . A A . 8 LEU HD13 1 1 19 10726 1 1 8 LEU HD21 H -2.047 3.970 7.583 1.00 . A A . 8 LEU HD21 1 1 19 10727 1 1 8 LEU HD22 H -3.187 4.606 8.791 1.00 . A A . 8 LEU HD22 1 1 19 10728 1 1 8 LEU HD23 H -1.712 3.760 9.317 1.00 . A A . 8 LEU HD23 1 1 19 10729 1 1 8 LEU HG H -4.115 2.548 7.878 1.00 . A A . 8 LEU HG 1 1 19 10730 1 1 8 LEU N N -3.717 0.647 6.182 1.00 . A A . 8 LEU N 1 1 19 10731 1 1 8 LEU O O -1.132 -0.802 6.466 1.00 . A A . 8 LEU O 1 1 19 10732 1 1 9 CYS C C 1.668 -0.108 5.521 1.00 . A A . 9 CYS C 1 1 19 10733 1 1 9 CYS CA C 0.584 0.071 4.467 1.00 . A A . 9 CYS CA 1 1 19 10734 1 1 9 CYS CB C 1.149 0.811 3.255 1.00 . A A . 9 CYS CB 1 1 19 10735 1 1 9 CYS H H -0.712 1.754 4.669 1.00 . A A . 9 CYS H 1 1 19 10736 1 1 9 CYS HA H 0.228 -0.910 4.150 1.00 . A A . 9 CYS HA 1 1 19 10737 1 1 9 CYS HB2 H 0.410 0.821 2.457 1.00 . A A . 9 CYS HB2 1 1 19 10738 1 1 9 CYS HB3 H 1.401 1.833 3.533 1.00 . A A . 9 CYS HB3 1 1 19 10739 1 1 9 CYS N N -0.528 0.825 5.029 1.00 . A A . 9 CYS N 1 1 19 10740 1 1 9 CYS O O 2.063 0.853 6.173 1.00 . A A . 9 CYS O 1 1 19 10741 1 1 9 CYS SG S 2.643 -0.049 2.694 1.00 . A A . 9 CYS SG 1 1 19 10742 1 1 10 THR C C 4.560 -1.240 6.067 1.00 . A A . 10 THR C 1 1 19 10743 1 1 10 THR CA C 3.198 -1.640 6.642 1.00 . A A . 10 THR CA 1 1 19 10744 1 1 10 THR CB C 3.159 -3.137 6.973 1.00 . A A . 10 THR CB 1 1 19 10745 1 1 10 THR CG2 C 1.846 -3.480 7.679 1.00 . A A . 10 THR CG2 1 1 19 10746 1 1 10 THR H H 1.793 -2.100 5.119 1.00 . A A . 10 THR H 1 1 19 10747 1 1 10 THR HA H 3.018 -1.072 7.556 1.00 . A A . 10 THR HA 1 1 19 10748 1 1 10 THR HB H 3.997 -3.385 7.629 1.00 . A A . 10 THR HB 1 1 19 10749 1 1 10 THR HG1 H 4.130 -3.728 5.398 1.00 . A A . 10 THR HG1 1 1 19 10750 1 1 10 THR HG21 H 1.746 -2.872 8.579 1.00 . A A . 10 THR HG21 1 1 19 10751 1 1 10 THR HG22 H 1.007 -3.280 7.012 1.00 . A A . 10 THR HG22 1 1 19 10752 1 1 10 THR HG23 H 1.845 -4.535 7.954 1.00 . A A . 10 THR HG23 1 1 19 10753 1 1 10 THR N N 2.154 -1.340 5.680 1.00 . A A . 10 THR N 1 1 19 10754 1 1 10 THR O O 5.323 -2.098 5.625 1.00 . A A . 10 THR O 1 1 19 10755 1 1 10 THR OG1 O 3.261 -3.886 5.780 1.00 . A A . 10 THR OG1 1 1 19 10756 1 1 11 ALA C C 6.644 1.624 6.594 1.00 . A A . 11 ALA C 1 1 19 10757 1 1 11 ALA CA C 6.133 0.581 5.594 1.00 . A A . 11 ALA CA 1 1 19 10758 1 1 11 ALA CB C 5.946 1.182 4.200 1.00 . A A . 11 ALA CB 1 1 19 10759 1 1 11 ALA H H 4.192 0.737 6.441 1.00 . A A . 11 ALA H 1 1 19 10760 1 1 11 ALA HA H 6.844 -0.240 5.530 1.00 . A A . 11 ALA HA 1 1 19 10761 1 1 11 ALA HB1 H 5.081 1.842 4.200 1.00 . A A . 11 ALA HB1 1 1 19 10762 1 1 11 ALA HB2 H 6.836 1.746 3.924 1.00 . A A . 11 ALA HB2 1 1 19 10763 1 1 11 ALA HB3 H 5.788 0.380 3.477 1.00 . A A . 11 ALA HB3 1 1 19 10764 1 1 11 ALA N N 4.861 0.069 6.078 1.00 . A A . 11 ALA N 1 1 19 10765 1 1 11 ALA O O 5.854 2.418 7.099 1.00 . A A . 11 ALA O 1 1 19 10766 1 1 12 PRO C C 8.542 3.958 7.402 1.00 . A A . 12 PRO C 1 1 19 10767 1 1 12 PRO CA C 8.546 2.507 7.881 1.00 . A A . 12 PRO CA 1 1 19 10768 1 1 12 PRO CB C 9.977 1.994 8.067 1.00 . A A . 12 PRO CB 1 1 19 10769 1 1 12 PRO CD C 8.918 0.717 6.287 1.00 . A A . 12 PRO CD 1 1 19 10770 1 1 12 PRO CG C 10.275 1.153 6.826 1.00 . A A . 12 PRO CG 1 1 19 10771 1 1 12 PRO HA H 8.002 2.428 8.822 1.00 . A A . 12 PRO HA 1 1 19 10772 1 1 12 PRO HB2 H 10.680 2.824 8.146 1.00 . A A . 12 PRO HB2 1 1 19 10773 1 1 12 PRO HB3 H 10.034 1.370 8.960 1.00 . A A . 12 PRO HB3 1 1 19 10774 1 1 12 PRO HD2 H 8.895 0.809 5.201 1.00 . A A . 12 PRO HD2 1 1 19 10775 1 1 12 PRO HD3 H 8.712 -0.311 6.585 1.00 . A A . 12 PRO HD3 1 1 19 10776 1 1 12 PRO HG2 H 10.785 1.765 6.081 1.00 . A A . 12 PRO HG2 1 1 19 10777 1 1 12 PRO HG3 H 10.882 0.287 7.086 1.00 . A A . 12 PRO HG3 1 1 19 10778 1 1 12 PRO N N 7.957 1.617 6.894 1.00 . A A . 12 PRO N 1 1 19 10779 1 1 12 PRO O O 7.729 4.759 7.856 1.00 . A A . 12 PRO O 1 1 19 10780 1 1 13 GLY C C 8.582 6.003 4.941 1.00 . A A . 13 GLY C 1 1 19 10781 1 1 13 GLY CA C 9.620 5.657 6.005 1.00 . A A . 13 GLY CA 1 1 19 10782 1 1 13 GLY H H 10.094 3.591 6.136 1.00 . A A . 13 GLY H 1 1 19 10783 1 1 13 GLY HA2 H 9.515 6.349 6.841 1.00 . A A . 13 GLY HA2 1 1 19 10784 1 1 13 GLY HA3 H 10.616 5.768 5.577 1.00 . A A . 13 GLY HA3 1 1 19 10785 1 1 13 GLY N N 9.466 4.296 6.492 1.00 . A A . 13 GLY N 1 1 19 10786 1 1 13 GLY O O 8.866 6.797 4.047 1.00 . A A . 13 GLY O 1 1 19 10787 1 1 14 CYS C C 4.952 5.575 4.736 1.00 . A A . 14 CYS C 1 1 19 10788 1 1 14 CYS CA C 6.318 5.749 4.078 1.00 . A A . 14 CYS CA 1 1 19 10789 1 1 14 CYS CB C 6.456 4.873 2.834 1.00 . A A . 14 CYS CB 1 1 19 10790 1 1 14 CYS H H 7.186 4.753 5.766 1.00 . A A . 14 CYS H 1 1 19 10791 1 1 14 CYS HA H 6.424 6.792 3.779 1.00 . A A . 14 CYS HA 1 1 19 10792 1 1 14 CYS HB2 H 7.472 4.948 2.444 1.00 . A A . 14 CYS HB2 1 1 19 10793 1 1 14 CYS HB3 H 6.237 3.839 3.084 1.00 . A A . 14 CYS HB3 1 1 19 10794 1 1 14 CYS N N 7.377 5.426 5.027 1.00 . A A . 14 CYS N 1 1 19 10795 1 1 14 CYS O O 4.223 6.548 4.896 1.00 . A A . 14 CYS O 1 1 19 10796 1 1 14 CYS SG S 5.290 5.458 1.585 1.00 . A A . 14 CYS SG 1 1 19 10797 1 1 15 GLY C C 2.185 4.831 5.271 1.00 . A A . 15 GLY C 1 1 19 10798 1 1 15 GLY CA C 3.363 3.991 5.774 1.00 . A A . 15 GLY CA 1 1 19 10799 1 1 15 GLY H H 5.276 3.583 4.947 1.00 . A A . 15 GLY H 1 1 19 10800 1 1 15 GLY HA2 H 3.148 2.941 5.594 1.00 . A A . 15 GLY HA2 1 1 19 10801 1 1 15 GLY HA3 H 3.476 4.147 6.848 1.00 . A A . 15 GLY HA3 1 1 19 10802 1 1 15 GLY N N 4.623 4.332 5.113 1.00 . A A . 15 GLY N 1 1 19 10803 1 1 15 GLY O O 1.560 5.542 6.055 1.00 . A A . 15 GLY O 1 1 19 10804 1 1 16 GLN C C -0.556 4.764 3.736 1.00 . A A . 16 GLN C 1 1 19 10805 1 1 16 GLN CA C 0.749 5.486 3.408 1.00 . A A . 16 GLN CA 1 1 19 10806 1 1 16 GLN CB C 0.918 5.629 1.894 1.00 . A A . 16 GLN CB 1 1 19 10807 1 1 16 GLN CD C 2.071 6.940 0.085 1.00 . A A . 16 GLN CD 1 1 19 10808 1 1 16 GLN CG C 1.812 6.831 1.583 1.00 . A A . 16 GLN CG 1 1 19 10809 1 1 16 GLN H H 2.412 4.156 3.355 1.00 . A A . 16 GLN H 1 1 19 10810 1 1 16 GLN HA H 0.720 6.481 3.855 1.00 . A A . 16 GLN HA 1 1 19 10811 1 1 16 GLN HB2 H 1.368 4.724 1.491 1.00 . A A . 16 GLN HB2 1 1 19 10812 1 1 16 GLN HB3 H -0.058 5.782 1.435 1.00 . A A . 16 GLN HB3 1 1 19 10813 1 1 16 GLN HE21 H 1.141 7.315 -1.684 1.00 . A A . 16 GLN HE21 1 1 19 10814 1 1 16 GLN HE22 H 0.109 7.344 -0.272 1.00 . A A . 16 GLN HE22 1 1 19 10815 1 1 16 GLN HG2 H 1.322 7.742 1.929 1.00 . A A . 16 GLN HG2 1 1 19 10816 1 1 16 GLN HG3 H 2.762 6.717 2.104 1.00 . A A . 16 GLN HG3 1 1 19 10817 1 1 16 GLN N N 1.872 4.746 3.969 1.00 . A A . 16 GLN N 1 1 19 10818 1 1 16 GLN NE2 N 1.021 7.222 -0.687 1.00 . A A . 16 GLN NE2 1 1 19 10819 1 1 16 GLN O O -0.549 3.567 4.043 1.00 . A A . 16 GLN O 1 1 19 10820 1 1 16 GLN OE1 O 3.201 6.772 -0.366 1.00 . A A . 16 GLN OE1 1 1 19 10821 1 1 17 ARG C C -3.901 5.192 2.763 1.00 . A A . 17 ARG C 1 1 19 10822 1 1 17 ARG CA C -2.989 4.959 3.954 1.00 . A A . 17 ARG CA 1 1 19 10823 1 1 17 ARG CB C -3.559 5.634 5.209 1.00 . A A . 17 ARG CB 1 1 19 10824 1 1 17 ARG CD C -6.022 6.103 4.920 1.00 . A A . 17 ARG CD 1 1 19 10825 1 1 17 ARG CG C -4.985 5.123 5.493 1.00 . A A . 17 ARG CG 1 1 19 10826 1 1 17 ARG CZ C -8.491 6.068 4.696 1.00 . A A . 17 ARG CZ 1 1 19 10827 1 1 17 ARG H H -1.606 6.472 3.400 1.00 . A A . 17 ARG H 1 1 19 10828 1 1 17 ARG HA H -2.906 3.892 4.134 1.00 . A A . 17 ARG HA 1 1 19 10829 1 1 17 ARG HB2 H -2.921 5.403 6.058 1.00 . A A . 17 ARG HB2 1 1 19 10830 1 1 17 ARG HB3 H -3.583 6.713 5.060 1.00 . A A . 17 ARG HB3 1 1 19 10831 1 1 17 ARG HD2 H -6.163 6.920 5.628 1.00 . A A . 17 ARG HD2 1 1 19 10832 1 1 17 ARG HD3 H -5.663 6.509 3.975 1.00 . A A . 17 ARG HD3 1 1 19 10833 1 1 17 ARG HE H -7.285 4.433 4.508 1.00 . A A . 17 ARG HE 1 1 19 10834 1 1 17 ARG HG2 H -5.119 4.139 5.040 1.00 . A A . 17 ARG HG2 1 1 19 10835 1 1 17 ARG HG3 H -5.128 5.041 6.570 1.00 . A A . 17 ARG HG3 1 1 19 10836 1 1 17 ARG HH11 H -7.684 7.940 4.808 1.00 . A A . 17 ARG HH11 1 1 19 10837 1 1 17 ARG HH12 H -9.430 7.878 4.816 1.00 . A A . 17 ARG HH12 1 1 19 10838 1 1 17 ARG HH21 H -9.594 4.355 4.549 1.00 . A A . 17 ARG HH21 1 1 19 10839 1 1 17 ARG HH22 H -10.519 5.838 4.627 1.00 . A A . 17 ARG HH22 1 1 19 10840 1 1 17 ARG N N -1.671 5.500 3.666 1.00 . A A . 17 ARG N 1 1 19 10841 1 1 17 ARG NE N -7.306 5.429 4.687 1.00 . A A . 17 ARG NE 1 1 19 10842 1 1 17 ARG NH1 N -8.539 7.404 4.780 1.00 . A A . 17 ARG NH1 1 1 19 10843 1 1 17 ARG NH2 N -9.628 5.363 4.617 1.00 . A A . 17 ARG NH2 1 1 19 10844 1 1 17 ARG O O -3.776 6.203 2.071 1.00 . A A . 17 ARG O 1 1 19 10845 1 1 18 PHE C C -7.137 3.867 1.929 1.00 . A A . 18 PHE C 1 1 19 10846 1 1 18 PHE CA C -5.779 4.358 1.447 1.00 . A A . 18 PHE CA 1 1 19 10847 1 1 18 PHE CB C -5.288 3.527 0.258 1.00 . A A . 18 PHE CB 1 1 19 10848 1 1 18 PHE CD1 C -2.812 3.181 0.634 1.00 . A A . 18 PHE CD1 1 1 19 10849 1 1 18 PHE CD2 C -3.520 4.663 -1.161 1.00 . A A . 18 PHE CD2 1 1 19 10850 1 1 18 PHE CE1 C -1.470 3.434 0.318 1.00 . A A . 18 PHE CE1 1 1 19 10851 1 1 18 PHE CE2 C -2.174 4.915 -1.479 1.00 . A A . 18 PHE CE2 1 1 19 10852 1 1 18 PHE CG C -3.840 3.793 -0.103 1.00 . A A . 18 PHE CG 1 1 19 10853 1 1 18 PHE CZ C -1.150 4.300 -0.738 1.00 . A A . 18 PHE CZ 1 1 19 10854 1 1 18 PHE H H -4.868 3.442 3.135 1.00 . A A . 18 PHE H 1 1 19 10855 1 1 18 PHE HA H -5.867 5.401 1.140 1.00 . A A . 18 PHE HA 1 1 19 10856 1 1 18 PHE HB2 H -5.397 2.469 0.501 1.00 . A A . 18 PHE HB2 1 1 19 10857 1 1 18 PHE HB3 H -5.914 3.751 -0.606 1.00 . A A . 18 PHE HB3 1 1 19 10858 1 1 18 PHE HD1 H -3.059 2.522 1.451 1.00 . A A . 18 PHE HD1 1 1 19 10859 1 1 18 PHE HD2 H -4.307 5.141 -1.727 1.00 . A A . 18 PHE HD2 1 1 19 10860 1 1 18 PHE HE1 H -0.684 2.966 0.889 1.00 . A A . 18 PHE HE1 1 1 19 10861 1 1 18 PHE HE2 H -1.927 5.585 -2.290 1.00 . A A . 18 PHE HE2 1 1 19 10862 1 1 18 PHE HZ H -0.117 4.498 -0.977 1.00 . A A . 18 PHE HZ 1 1 19 10863 1 1 18 PHE N N -4.824 4.256 2.533 1.00 . A A . 18 PHE N 1 1 19 10864 1 1 18 PHE O O -7.223 3.171 2.944 1.00 . A A . 18 PHE O 1 1 19 10865 1 1 19 THR C C -9.919 2.539 0.747 1.00 . A A . 19 THR C 1 1 19 10866 1 1 19 THR CA C -9.552 3.805 1.533 1.00 . A A . 19 THR CA 1 1 19 10867 1 1 19 THR CB C -10.541 4.947 1.238 1.00 . A A . 19 THR CB 1 1 19 10868 1 1 19 THR CG2 C -10.545 5.283 -0.259 1.00 . A A . 19 THR CG2 1 1 19 10869 1 1 19 THR H H -8.063 4.814 0.391 1.00 . A A . 19 THR H 1 1 19 10870 1 1 19 THR HA H -9.599 3.577 2.595 1.00 . A A . 19 THR HA 1 1 19 10871 1 1 19 THR HB H -10.250 5.832 1.803 1.00 . A A . 19 THR HB 1 1 19 10872 1 1 19 THR HG1 H -12.042 3.714 1.197 1.00 . A A . 19 THR HG1 1 1 19 10873 1 1 19 THR HG21 H -10.811 4.399 -0.836 1.00 . A A . 19 THR HG21 1 1 19 10874 1 1 19 THR HG22 H -11.275 6.071 -0.450 1.00 . A A . 19 THR HG22 1 1 19 10875 1 1 19 THR HG23 H -9.557 5.629 -0.561 1.00 . A A . 19 THR HG23 1 1 19 10876 1 1 19 THR N N -8.196 4.229 1.202 1.00 . A A . 19 THR N 1 1 19 10877 1 1 19 THR O O -11.065 2.095 0.799 1.00 . A A . 19 THR O 1 1 19 10878 1 1 19 THR OG1 O -11.841 4.552 1.630 1.00 . A A . 19 THR OG1 1 1 19 10879 1 1 20 ASN C C -7.916 -0.091 -0.771 1.00 . A A . 20 ASN C 1 1 19 10880 1 1 20 ASN CA C -9.172 0.767 -0.774 1.00 . A A . 20 ASN CA 1 1 19 10881 1 1 20 ASN CB C -9.524 1.168 -2.211 1.00 . A A . 20 ASN CB 1 1 19 10882 1 1 20 ASN CG C -11.033 1.192 -2.424 1.00 . A A . 20 ASN CG 1 1 19 10883 1 1 20 ASN H H -8.022 2.366 0.017 1.00 . A A . 20 ASN H 1 1 19 10884 1 1 20 ASN HA H -9.995 0.194 -0.346 1.00 . A A . 20 ASN HA 1 1 19 10885 1 1 20 ASN HB2 H -9.116 2.156 -2.417 1.00 . A A . 20 ASN HB2 1 1 19 10886 1 1 20 ASN HB3 H -9.081 0.452 -2.902 1.00 . A A . 20 ASN HB3 1 1 19 10887 1 1 20 ASN HD21 H -10.973 -0.646 -3.315 1.00 . A A . 20 ASN HD21 1 1 19 10888 1 1 20 ASN HD22 H -12.568 0.077 -3.155 1.00 . A A . 20 ASN HD22 1 1 19 10889 1 1 20 ASN N N -8.947 1.964 0.021 1.00 . A A . 20 ASN N 1 1 19 10890 1 1 20 ASN ND2 N -11.570 0.123 -3.011 1.00 . A A . 20 ASN ND2 1 1 19 10891 1 1 20 ASN O O -6.806 0.427 -0.920 1.00 . A A . 20 ASN O 1 1 19 10892 1 1 20 ASN OD1 O -11.700 2.159 -2.065 1.00 . A A . 20 ASN OD1 1 1 19 10893 1 1 21 GLU C C -6.365 -2.349 -2.050 1.00 . A A . 21 GLU C 1 1 19 10894 1 1 21 GLU CA C -6.979 -2.342 -0.650 1.00 . A A . 21 GLU CA 1 1 19 10895 1 1 21 GLU CB C -7.463 -3.742 -0.246 1.00 . A A . 21 GLU CB 1 1 19 10896 1 1 21 GLU CD C -9.076 -5.596 -0.774 1.00 . A A . 21 GLU CD 1 1 19 10897 1 1 21 GLU CG C -8.505 -4.264 -1.243 1.00 . A A . 21 GLU CG 1 1 19 10898 1 1 21 GLU H H -9.023 -1.776 -0.482 1.00 . A A . 21 GLU H 1 1 19 10899 1 1 21 GLU HA H -6.225 -2.013 0.061 1.00 . A A . 21 GLU HA 1 1 19 10900 1 1 21 GLU HB2 H -6.612 -4.425 -0.226 1.00 . A A . 21 GLU HB2 1 1 19 10901 1 1 21 GLU HB3 H -7.909 -3.696 0.747 1.00 . A A . 21 GLU HB3 1 1 19 10902 1 1 21 GLU HG2 H -9.316 -3.543 -1.336 1.00 . A A . 21 GLU HG2 1 1 19 10903 1 1 21 GLU HG3 H -8.037 -4.403 -2.218 1.00 . A A . 21 GLU HG3 1 1 19 10904 1 1 21 GLU N N -8.092 -1.408 -0.616 1.00 . A A . 21 GLU N 1 1 19 10905 1 1 21 GLU O O -5.199 -2.689 -2.214 1.00 . A A . 21 GLU O 1 1 19 10906 1 1 21 GLU OE1 O -8.450 -6.627 -1.098 1.00 . A A . 21 GLU OE1 1 1 19 10907 1 1 21 GLU OE2 O -10.128 -5.555 -0.098 1.00 . A A . 21 GLU OE2 1 1 19 10908 1 1 22 ASP C C -5.500 -0.953 -4.526 1.00 . A A . 22 ASP C 1 1 19 10909 1 1 22 ASP CA C -6.708 -1.880 -4.432 1.00 . A A . 22 ASP CA 1 1 19 10910 1 1 22 ASP CB C -7.851 -1.341 -5.294 1.00 . A A . 22 ASP CB 1 1 19 10911 1 1 22 ASP CG C -9.145 -2.106 -5.043 1.00 . A A . 22 ASP CG 1 1 19 10912 1 1 22 ASP H H -8.118 -1.701 -2.858 1.00 . A A . 22 ASP H 1 1 19 10913 1 1 22 ASP HA H -6.430 -2.877 -4.779 1.00 . A A . 22 ASP HA 1 1 19 10914 1 1 22 ASP HB2 H -8.010 -0.290 -5.054 1.00 . A A . 22 ASP HB2 1 1 19 10915 1 1 22 ASP HB3 H -7.579 -1.430 -6.345 1.00 . A A . 22 ASP HB3 1 1 19 10916 1 1 22 ASP N N -7.159 -1.958 -3.054 1.00 . A A . 22 ASP N 1 1 19 10917 1 1 22 ASP O O -4.479 -1.302 -5.120 1.00 . A A . 22 ASP O 1 1 19 10918 1 1 22 ASP OD1 O -9.807 -1.782 -4.027 1.00 . A A . 22 ASP OD1 1 1 19 10919 1 1 22 ASP OD2 O -9.450 -2.994 -5.866 1.00 . A A . 22 ASP OD2 1 1 19 10920 1 1 23 HIS C C -3.389 0.719 -3.121 1.00 . A A . 23 HIS C 1 1 19 10921 1 1 23 HIS CA C -4.560 1.224 -3.954 1.00 . A A . 23 HIS CA 1 1 19 10922 1 1 23 HIS CB C -5.080 2.553 -3.402 1.00 . A A . 23 HIS CB 1 1 19 10923 1 1 23 HIS CD2 C -7.376 3.815 -3.651 1.00 . A A . 23 HIS CD2 1 1 19 10924 1 1 23 HIS CE1 C -7.863 3.259 -5.649 1.00 . A A . 23 HIS CE1 1 1 19 10925 1 1 23 HIS CG C -6.344 3.020 -4.077 1.00 . A A . 23 HIS CG 1 1 19 10926 1 1 23 HIS H H -6.483 0.472 -3.458 1.00 . A A . 23 HIS H 1 1 19 10927 1 1 23 HIS HA H -4.228 1.369 -4.982 1.00 . A A . 23 HIS HA 1 1 19 10928 1 1 23 HIS HB2 H -5.277 2.435 -2.338 1.00 . A A . 23 HIS HB2 1 1 19 10929 1 1 23 HIS HB3 H -4.310 3.312 -3.534 1.00 . A A . 23 HIS HB3 1 1 19 10930 1 1 23 HIS HD1 H -6.142 2.087 -6.006 1.00 . A A . 23 HIS HD1 1 1 19 10931 1 1 23 HIS HD2 H -7.431 4.261 -2.668 1.00 . A A . 23 HIS HD2 1 1 19 10932 1 1 23 HIS HE1 H -8.372 3.160 -6.597 1.00 . A A . 23 HIS HE1 1 1 19 10933 1 1 23 HIS N N -5.624 0.240 -3.936 1.00 . A A . 23 HIS N 1 1 19 10934 1 1 23 HIS ND1 N -6.680 2.670 -5.381 1.00 . A A . 23 HIS ND1 1 1 19 10935 1 1 23 HIS NE2 N -8.343 3.974 -4.631 1.00 . A A . 23 HIS NE2 1 1 19 10936 1 1 23 HIS O O -2.232 0.926 -3.480 1.00 . A A . 23 HIS O 1 1 19 10937 1 1 24 LEU C C -1.866 -1.560 -1.898 1.00 . A A . 24 LEU C 1 1 19 10938 1 1 24 LEU CA C -2.667 -0.500 -1.140 1.00 . A A . 24 LEU CA 1 1 19 10939 1 1 24 LEU CB C -3.316 -1.111 0.103 1.00 . A A . 24 LEU CB 1 1 19 10940 1 1 24 LEU CD1 C -2.262 -0.012 2.095 1.00 . A A . 24 LEU CD1 1 1 19 10941 1 1 24 LEU CD2 C -2.617 -2.479 2.085 1.00 . A A . 24 LEU CD2 1 1 19 10942 1 1 24 LEU CG C -2.269 -1.264 1.225 1.00 . A A . 24 LEU CG 1 1 19 10943 1 1 24 LEU H H -4.668 -0.087 -1.754 1.00 . A A . 24 LEU H 1 1 19 10944 1 1 24 LEU HA H -1.998 0.303 -0.831 1.00 . A A . 24 LEU HA 1 1 19 10945 1 1 24 LEU HB2 H -4.124 -0.465 0.446 1.00 . A A . 24 LEU HB2 1 1 19 10946 1 1 24 LEU HB3 H -3.723 -2.090 -0.149 1.00 . A A . 24 LEU HB3 1 1 19 10947 1 1 24 LEU HD11 H -3.285 0.294 2.306 1.00 . A A . 24 LEU HD11 1 1 19 10948 1 1 24 LEU HD12 H -1.750 -0.224 3.030 1.00 . A A . 24 LEU HD12 1 1 19 10949 1 1 24 LEU HD13 H -1.743 0.788 1.572 1.00 . A A . 24 LEU HD13 1 1 19 10950 1 1 24 LEU HD21 H -3.622 -2.362 2.490 1.00 . A A . 24 LEU HD21 1 1 19 10951 1 1 24 LEU HD22 H -2.575 -3.381 1.477 1.00 . A A . 24 LEU HD22 1 1 19 10952 1 1 24 LEU HD23 H -1.904 -2.560 2.905 1.00 . A A . 24 LEU HD23 1 1 19 10953 1 1 24 LEU HG H -1.273 -1.401 0.791 1.00 . A A . 24 LEU HG 1 1 19 10954 1 1 24 LEU N N -3.695 0.050 -2.006 1.00 . A A . 24 LEU N 1 1 19 10955 1 1 24 LEU O O -0.667 -1.684 -1.693 1.00 . A A . 24 LEU O 1 1 19 10956 1 1 25 ALA C C -0.816 -2.808 -4.449 1.00 . A A . 25 ALA C 1 1 19 10957 1 1 25 ALA CA C -1.896 -3.384 -3.535 1.00 . A A . 25 ALA CA 1 1 19 10958 1 1 25 ALA CB C -2.953 -4.130 -4.351 1.00 . A A . 25 ALA CB 1 1 19 10959 1 1 25 ALA H H -3.529 -2.173 -2.905 1.00 . A A . 25 ALA H 1 1 19 10960 1 1 25 ALA HA H -1.430 -4.085 -2.840 1.00 . A A . 25 ALA HA 1 1 19 10961 1 1 25 ALA HB1 H -3.727 -4.509 -3.683 1.00 . A A . 25 ALA HB1 1 1 19 10962 1 1 25 ALA HB2 H -3.400 -3.454 -5.076 1.00 . A A . 25 ALA HB2 1 1 19 10963 1 1 25 ALA HB3 H -2.486 -4.965 -4.873 1.00 . A A . 25 ALA HB3 1 1 19 10964 1 1 25 ALA N N -2.536 -2.324 -2.770 1.00 . A A . 25 ALA N 1 1 19 10965 1 1 25 ALA O O 0.348 -3.183 -4.334 1.00 . A A . 25 ALA O 1 1 19 10966 1 1 26 VAL C C 0.854 -0.568 -5.508 1.00 . A A . 26 VAL C 1 1 19 10967 1 1 26 VAL CA C -0.240 -1.301 -6.290 1.00 . A A . 26 VAL CA 1 1 19 10968 1 1 26 VAL CB C -0.958 -0.353 -7.271 1.00 . A A . 26 VAL CB 1 1 19 10969 1 1 26 VAL CG1 C -1.948 -1.151 -8.124 1.00 . A A . 26 VAL CG1 1 1 19 10970 1 1 26 VAL CG2 C -1.710 0.751 -6.517 1.00 . A A . 26 VAL CG2 1 1 19 10971 1 1 26 VAL H H -2.168 -1.623 -5.417 1.00 . A A . 26 VAL H 1 1 19 10972 1 1 26 VAL HA H 0.229 -2.101 -6.865 1.00 . A A . 26 VAL HA 1 1 19 10973 1 1 26 VAL HB H -0.216 0.106 -7.926 1.00 . A A . 26 VAL HB 1 1 19 10974 1 1 26 VAL HG11 H -1.424 -1.963 -8.628 1.00 . A A . 26 VAL HG11 1 1 19 10975 1 1 26 VAL HG12 H -2.730 -1.566 -7.487 1.00 . A A . 26 VAL HG12 1 1 19 10976 1 1 26 VAL HG13 H -2.399 -0.495 -8.868 1.00 . A A . 26 VAL HG13 1 1 19 10977 1 1 26 VAL HG21 H -2.437 0.303 -5.847 1.00 . A A . 26 VAL HG21 1 1 19 10978 1 1 26 VAL HG22 H -1.008 1.354 -5.943 1.00 . A A . 26 VAL HG22 1 1 19 10979 1 1 26 VAL HG23 H -2.228 1.389 -7.233 1.00 . A A . 26 VAL HG23 1 1 19 10980 1 1 26 VAL N N -1.198 -1.902 -5.362 1.00 . A A . 26 VAL N 1 1 19 10981 1 1 26 VAL O O 2.018 -0.579 -5.902 1.00 . A A . 26 VAL O 1 1 19 10982 1 1 27 HIS C C 2.422 -0.186 -2.937 1.00 . A A . 27 HIS C 1 1 19 10983 1 1 27 HIS CA C 1.409 0.786 -3.551 1.00 . A A . 27 HIS CA 1 1 19 10984 1 1 27 HIS CB C 0.612 1.512 -2.468 1.00 . A A . 27 HIS CB 1 1 19 10985 1 1 27 HIS CD2 C 1.692 1.645 -0.091 1.00 . A A . 27 HIS CD2 1 1 19 10986 1 1 27 HIS CE1 C 2.864 3.402 -0.344 1.00 . A A . 27 HIS CE1 1 1 19 10987 1 1 27 HIS CG C 1.471 2.061 -1.372 1.00 . A A . 27 HIS CG 1 1 19 10988 1 1 27 HIS H H -0.500 0.045 -4.116 1.00 . A A . 27 HIS H 1 1 19 10989 1 1 27 HIS HA H 1.942 1.523 -4.155 1.00 . A A . 27 HIS HA 1 1 19 10990 1 1 27 HIS HB2 H 0.060 2.333 -2.927 1.00 . A A . 27 HIS HB2 1 1 19 10991 1 1 27 HIS HB3 H -0.098 0.814 -2.030 1.00 . A A . 27 HIS HB3 1 1 19 10992 1 1 27 HIS HD1 H 2.323 3.775 -2.348 1.00 . A A . 27 HIS HD1 1 1 19 10993 1 1 27 HIS HD2 H 1.235 0.770 0.346 1.00 . A A . 27 HIS HD2 1 1 19 10994 1 1 27 HIS HE1 H 3.536 4.224 -0.164 1.00 . A A . 27 HIS HE1 1 1 19 10995 1 1 27 HIS N N 0.475 0.064 -4.394 1.00 . A A . 27 HIS N 1 1 19 10996 1 1 27 HIS ND1 N 2.243 3.204 -1.520 1.00 . A A . 27 HIS ND1 1 1 19 10997 1 1 27 HIS NE2 N 2.567 2.483 0.579 1.00 . A A . 27 HIS NE2 1 1 19 10998 1 1 27 HIS O O 3.617 0.106 -2.889 1.00 . A A . 27 HIS O 1 1 19 10999 1 1 28 LYS C C 3.715 -2.942 -2.937 1.00 . A A . 28 LYS C 1 1 19 11000 1 1 28 LYS CA C 2.795 -2.354 -1.869 1.00 . A A . 28 LYS CA 1 1 19 11001 1 1 28 LYS CB C 1.914 -3.442 -1.237 1.00 . A A . 28 LYS CB 1 1 19 11002 1 1 28 LYS CD C 3.009 -3.502 1.023 1.00 . A A . 28 LYS CD 1 1 19 11003 1 1 28 LYS CE C 3.362 -4.461 2.166 1.00 . A A . 28 LYS CE 1 1 19 11004 1 1 28 LYS CG C 2.733 -4.295 -0.262 1.00 . A A . 28 LYS CG 1 1 19 11005 1 1 28 LYS H H 0.950 -1.530 -2.533 1.00 . A A . 28 LYS H 1 1 19 11006 1 1 28 LYS HA H 3.401 -1.889 -1.094 1.00 . A A . 28 LYS HA 1 1 19 11007 1 1 28 LYS HB2 H 1.093 -2.977 -0.698 1.00 . A A . 28 LYS HB2 1 1 19 11008 1 1 28 LYS HB3 H 1.511 -4.081 -2.022 1.00 . A A . 28 LYS HB3 1 1 19 11009 1 1 28 LYS HD2 H 3.841 -2.816 0.857 1.00 . A A . 28 LYS HD2 1 1 19 11010 1 1 28 LYS HD3 H 2.120 -2.934 1.296 1.00 . A A . 28 LYS HD3 1 1 19 11011 1 1 28 LYS HE2 H 3.468 -3.890 3.088 1.00 . A A . 28 LYS HE2 1 1 19 11012 1 1 28 LYS HE3 H 2.558 -5.187 2.288 1.00 . A A . 28 LYS HE3 1 1 19 11013 1 1 28 LYS HG2 H 2.167 -5.195 -0.017 1.00 . A A . 28 LYS HG2 1 1 19 11014 1 1 28 LYS HG3 H 3.676 -4.577 -0.728 1.00 . A A . 28 LYS HG3 1 1 19 11015 1 1 28 LYS HZ1 H 5.365 -4.501 1.730 1.00 . A A . 28 LYS HZ1 1 1 19 11016 1 1 28 LYS HZ2 H 4.862 -5.752 2.687 1.00 . A A . 28 LYS HZ2 1 1 19 11017 1 1 28 LYS HZ3 H 4.517 -5.756 1.070 1.00 . A A . 28 LYS HZ3 1 1 19 11018 1 1 28 LYS N N 1.942 -1.341 -2.469 1.00 . A A . 28 LYS N 1 1 19 11019 1 1 28 LYS NZ N 4.622 -5.173 1.895 1.00 . A A . 28 LYS NZ 1 1 19 11020 1 1 28 LYS O O 4.890 -3.189 -2.679 1.00 . A A . 28 LYS O 1 1 19 11021 1 1 29 HIS C C 5.064 -2.702 -5.613 1.00 . A A . 29 HIS C 1 1 19 11022 1 1 29 HIS CA C 3.959 -3.690 -5.246 1.00 . A A . 29 HIS CA 1 1 19 11023 1 1 29 HIS CB C 3.046 -3.955 -6.444 1.00 . A A . 29 HIS CB 1 1 19 11024 1 1 29 HIS CD2 C 4.753 -5.511 -7.715 1.00 . A A . 29 HIS CD2 1 1 19 11025 1 1 29 HIS CE1 C 4.415 -4.831 -9.706 1.00 . A A . 29 HIS CE1 1 1 19 11026 1 1 29 HIS CG C 3.793 -4.534 -7.619 1.00 . A A . 29 HIS CG 1 1 19 11027 1 1 29 HIS H H 2.201 -2.948 -4.303 1.00 . A A . 29 HIS H 1 1 19 11028 1 1 29 HIS HA H 4.416 -4.631 -4.934 1.00 . A A . 29 HIS HA 1 1 19 11029 1 1 29 HIS HB2 H 2.264 -4.654 -6.145 1.00 . A A . 29 HIS HB2 1 1 19 11030 1 1 29 HIS HB3 H 2.582 -3.017 -6.749 1.00 . A A . 29 HIS HB3 1 1 19 11031 1 1 29 HIS HD1 H 2.946 -3.390 -9.231 1.00 . A A . 29 HIS HD1 1 1 19 11032 1 1 29 HIS HD2 H 5.150 -6.058 -6.872 1.00 . A A . 29 HIS HD2 1 1 19 11033 1 1 29 HIS HE1 H 4.473 -4.712 -10.778 1.00 . A A . 29 HIS HE1 1 1 19 11034 1 1 29 HIS N N 3.178 -3.160 -4.143 1.00 . A A . 29 HIS N 1 1 19 11035 1 1 29 HIS ND1 N 3.588 -4.106 -8.925 1.00 . A A . 29 HIS ND1 1 1 19 11036 1 1 29 HIS NE2 N 5.155 -5.708 -9.028 1.00 . A A . 29 HIS NE2 1 1 19 11037 1 1 29 HIS O O 6.165 -3.111 -5.955 1.00 . A A . 29 HIS O 1 1 19 11038 1 1 30 LYS C C 6.913 -0.446 -4.858 1.00 . A A . 30 LYS C 1 1 19 11039 1 1 30 LYS CA C 5.749 -0.368 -5.848 1.00 . A A . 30 LYS CA 1 1 19 11040 1 1 30 LYS CB C 5.083 1.011 -5.814 1.00 . A A . 30 LYS CB 1 1 19 11041 1 1 30 LYS CD C 5.306 3.345 -6.723 1.00 . A A . 30 LYS CD 1 1 19 11042 1 1 30 LYS CE C 4.654 3.974 -5.487 1.00 . A A . 30 LYS CE 1 1 19 11043 1 1 30 LYS CG C 6.064 2.070 -6.330 1.00 . A A . 30 LYS CG 1 1 19 11044 1 1 30 LYS H H 3.838 -1.106 -5.256 1.00 . A A . 30 LYS H 1 1 19 11045 1 1 30 LYS HA H 6.133 -0.549 -6.851 1.00 . A A . 30 LYS HA 1 1 19 11046 1 1 30 LYS HB2 H 4.196 0.998 -6.449 1.00 . A A . 30 LYS HB2 1 1 19 11047 1 1 30 LYS HB3 H 4.794 1.250 -4.792 1.00 . A A . 30 LYS HB3 1 1 19 11048 1 1 30 LYS HD2 H 6.007 4.056 -7.162 1.00 . A A . 30 LYS HD2 1 1 19 11049 1 1 30 LYS HD3 H 4.536 3.098 -7.455 1.00 . A A . 30 LYS HD3 1 1 19 11050 1 1 30 LYS HE2 H 3.874 3.308 -5.114 1.00 . A A . 30 LYS HE2 1 1 19 11051 1 1 30 LYS HE3 H 5.410 4.109 -4.712 1.00 . A A . 30 LYS HE3 1 1 19 11052 1 1 30 LYS HG2 H 6.791 2.304 -5.552 1.00 . A A . 30 LYS HG2 1 1 19 11053 1 1 30 LYS HG3 H 6.585 1.683 -7.206 1.00 . A A . 30 LYS HG3 1 1 19 11054 1 1 30 LYS HZ1 H 4.775 5.903 -6.158 1.00 . A A . 30 LYS HZ1 1 1 19 11055 1 1 30 LYS HZ2 H 3.349 5.160 -6.526 1.00 . A A . 30 LYS HZ2 1 1 19 11056 1 1 30 LYS HZ3 H 3.637 5.677 -4.986 1.00 . A A . 30 LYS HZ3 1 1 19 11057 1 1 30 LYS N N 4.768 -1.396 -5.537 1.00 . A A . 30 LYS N 1 1 19 11058 1 1 30 LYS NZ N 4.057 5.281 -5.815 1.00 . A A . 30 LYS NZ 1 1 19 11059 1 1 30 LYS O O 8.058 -0.196 -5.231 1.00 . A A . 30 LYS O 1 1 19 11060 1 1 31 HIS C C 8.474 -2.209 -2.918 1.00 . A A . 31 HIS C 1 1 19 11061 1 1 31 HIS CA C 7.664 -0.961 -2.594 1.00 . A A . 31 HIS CA 1 1 19 11062 1 1 31 HIS CB C 7.032 -1.085 -1.207 1.00 . A A . 31 HIS CB 1 1 19 11063 1 1 31 HIS CD2 C 5.403 0.706 -0.157 1.00 . A A . 31 HIS CD2 1 1 19 11064 1 1 31 HIS CE1 C 6.790 2.313 0.069 1.00 . A A . 31 HIS CE1 1 1 19 11065 1 1 31 HIS CG C 6.605 0.239 -0.633 1.00 . A A . 31 HIS CG 1 1 19 11066 1 1 31 HIS H H 5.666 -0.980 -3.334 1.00 . A A . 31 HIS H 1 1 19 11067 1 1 31 HIS HA H 8.323 -0.092 -2.614 1.00 . A A . 31 HIS HA 1 1 19 11068 1 1 31 HIS HB2 H 6.168 -1.738 -1.274 1.00 . A A . 31 HIS HB2 1 1 19 11069 1 1 31 HIS HB3 H 7.759 -1.536 -0.530 1.00 . A A . 31 HIS HB3 1 1 19 11070 1 1 31 HIS HD1 H 8.469 1.309 -0.721 1.00 . A A . 31 HIS HD1 1 1 19 11071 1 1 31 HIS HD2 H 4.486 0.126 -0.131 1.00 . A A . 31 HIS HD2 1 1 19 11072 1 1 31 HIS HE1 H 7.225 3.272 0.305 1.00 . A A . 31 HIS HE1 1 1 19 11073 1 1 31 HIS N N 6.625 -0.802 -3.600 1.00 . A A . 31 HIS N 1 1 19 11074 1 1 31 HIS ND1 N 7.489 1.300 -0.475 1.00 . A A . 31 HIS ND1 1 1 19 11075 1 1 31 HIS NE2 N 5.509 2.016 0.293 1.00 . A A . 31 HIS NE2 1 1 19 11076 1 1 31 HIS O O 9.678 -2.129 -3.148 1.00 . A A . 31 HIS O 1 1 19 11077 1 1 32 GLU C C 8.411 -4.870 -4.744 1.00 . A A . 32 GLU C 1 1 19 11078 1 1 32 GLU CA C 8.445 -4.634 -3.239 1.00 . A A . 32 GLU CA 1 1 19 11079 1 1 32 GLU CB C 7.730 -5.761 -2.486 1.00 . A A . 32 GLU CB 1 1 19 11080 1 1 32 GLU CD C 6.571 -5.216 -0.313 1.00 . A A . 32 GLU CD 1 1 19 11081 1 1 32 GLU CG C 7.897 -5.567 -0.973 1.00 . A A . 32 GLU CG 1 1 19 11082 1 1 32 GLU H H 6.806 -3.367 -2.745 1.00 . A A . 32 GLU H 1 1 19 11083 1 1 32 GLU HA H 9.485 -4.595 -2.911 1.00 . A A . 32 GLU HA 1 1 19 11084 1 1 32 GLU HB2 H 6.670 -5.755 -2.743 1.00 . A A . 32 GLU HB2 1 1 19 11085 1 1 32 GLU HB3 H 8.165 -6.719 -2.775 1.00 . A A . 32 GLU HB3 1 1 19 11086 1 1 32 GLU HG2 H 8.276 -6.491 -0.535 1.00 . A A . 32 GLU HG2 1 1 19 11087 1 1 32 GLU HG3 H 8.613 -4.765 -0.786 1.00 . A A . 32 GLU HG3 1 1 19 11088 1 1 32 GLU N N 7.801 -3.366 -2.938 1.00 . A A . 32 GLU N 1 1 19 11089 1 1 32 GLU O O 7.954 -5.916 -5.208 1.00 . A A . 32 GLU O 1 1 19 11090 1 1 32 GLU OE1 O 5.659 -6.070 -0.379 1.00 . A A . 32 GLU OE1 1 1 19 11091 1 1 32 GLU OE2 O 6.488 -4.104 0.257 1.00 . A A . 32 GLU OE2 1 1 19 11092 1 1 33 MET C C 10.011 -4.980 -7.383 1.00 . A A . 33 MET C 1 1 19 11093 1 1 33 MET CA C 8.939 -3.973 -6.959 1.00 . A A . 33 MET CA 1 1 19 11094 1 1 33 MET CB C 9.220 -2.578 -7.536 1.00 . A A . 33 MET CB 1 1 19 11095 1 1 33 MET CE C 7.169 -2.504 -11.187 1.00 . A A . 33 MET CE 1 1 19 11096 1 1 33 MET CG C 8.887 -2.550 -9.029 1.00 . A A . 33 MET CG 1 1 19 11097 1 1 33 MET H H 9.255 -3.046 -5.063 1.00 . A A . 33 MET H 1 1 19 11098 1 1 33 MET HA H 7.969 -4.316 -7.318 1.00 . A A . 33 MET HA 1 1 19 11099 1 1 33 MET HB2 H 8.604 -1.844 -7.021 1.00 . A A . 33 MET HB2 1 1 19 11100 1 1 33 MET HB3 H 10.272 -2.326 -7.393 1.00 . A A . 33 MET HB3 1 1 19 11101 1 1 33 MET HE1 H 7.686 -1.592 -11.485 1.00 . A A . 33 MET HE1 1 1 19 11102 1 1 33 MET HE2 H 7.700 -3.369 -11.581 1.00 . A A . 33 MET HE2 1 1 19 11103 1 1 33 MET HE3 H 6.153 -2.491 -11.582 1.00 . A A . 33 MET HE3 1 1 19 11104 1 1 33 MET HG2 H 9.296 -1.636 -9.458 1.00 . A A . 33 MET HG2 1 1 19 11105 1 1 33 MET HG3 H 9.362 -3.403 -9.510 1.00 . A A . 33 MET HG3 1 1 19 11106 1 1 33 MET N N 8.900 -3.886 -5.506 1.00 . A A . 33 MET N 1 1 19 11107 1 1 33 MET O O 11.117 -4.597 -7.752 1.00 . A A . 33 MET O 1 1 19 11108 1 1 33 MET SD S 7.110 -2.602 -9.382 1.00 . A A . 33 MET SD 1 1 19 11109 1 1 34 THR C C 11.208 -7.137 -9.054 1.00 . A A . 34 THR C 1 1 19 11110 1 1 34 THR CA C 10.582 -7.359 -7.671 1.00 . A A . 34 THR CA 1 1 19 11111 1 1 34 THR CB C 9.828 -8.698 -7.613 1.00 . A A . 34 THR CB 1 1 19 11112 1 1 34 THR CG2 C 8.752 -8.759 -8.703 1.00 . A A . 34 THR CG2 1 1 19 11113 1 1 34 THR H H 8.734 -6.522 -7.014 1.00 . A A . 34 THR H 1 1 19 11114 1 1 34 THR HA H 11.382 -7.383 -6.931 1.00 . A A . 34 THR HA 1 1 19 11115 1 1 34 THR HB H 9.353 -8.798 -6.635 1.00 . A A . 34 THR HB 1 1 19 11116 1 1 34 THR HG1 H 11.283 -9.572 -8.565 1.00 . A A . 34 THR HG1 1 1 19 11117 1 1 34 THR HG21 H 8.106 -7.885 -8.632 1.00 . A A . 34 THR HG21 1 1 19 11118 1 1 34 THR HG22 H 9.224 -8.785 -9.685 1.00 . A A . 34 THR HG22 1 1 19 11119 1 1 34 THR HG23 H 8.154 -9.662 -8.569 1.00 . A A . 34 THR HG23 1 1 19 11120 1 1 34 THR N N 9.666 -6.275 -7.323 1.00 . A A . 34 THR N 1 1 19 11121 1 1 34 THR O O 12.321 -7.596 -9.301 1.00 . A A . 34 THR O 1 1 19 11122 1 1 34 THR OG1 O 10.741 -9.760 -7.794 1.00 . A A . 34 THR OG1 1 1 19 11123 1 1 35 LEU C C 12.356 -5.458 -11.177 1.00 . A A . 35 LEU C 1 1 19 11124 1 1 35 LEU CA C 10.994 -6.151 -11.288 1.00 . A A . 35 LEU CA 1 1 19 11125 1 1 35 LEU CB C 9.959 -5.268 -12.016 1.00 . A A . 35 LEU CB 1 1 19 11126 1 1 35 LEU CD1 C 11.337 -4.032 -13.752 1.00 . A A . 35 LEU CD1 1 1 19 11127 1 1 35 LEU CD2 C 10.718 -6.435 -14.146 1.00 . A A . 35 LEU CD2 1 1 19 11128 1 1 35 LEU CG C 10.264 -5.106 -13.527 1.00 . A A . 35 LEU CG 1 1 19 11129 1 1 35 LEU H H 9.581 -6.092 -9.698 1.00 . A A . 35 LEU H 1 1 19 11130 1 1 35 LEU HA H 11.112 -7.091 -11.822 1.00 . A A . 35 LEU HA 1 1 19 11131 1 1 35 LEU HB2 H 8.975 -5.725 -11.909 1.00 . A A . 35 LEU HB2 1 1 19 11132 1 1 35 LEU HB3 H 9.940 -4.284 -11.550 1.00 . A A . 35 LEU HB3 1 1 19 11133 1 1 35 LEU HD11 H 11.163 -3.193 -13.080 1.00 . A A . 35 LEU HD11 1 1 19 11134 1 1 35 LEU HD12 H 12.322 -4.448 -13.565 1.00 . A A . 35 LEU HD12 1 1 19 11135 1 1 35 LEU HD13 H 11.286 -3.684 -14.785 1.00 . A A . 35 LEU HD13 1 1 19 11136 1 1 35 LEU HD21 H 10.044 -7.232 -13.833 1.00 . A A . 35 LEU HD21 1 1 19 11137 1 1 35 LEU HD22 H 10.698 -6.350 -15.232 1.00 . A A . 35 LEU HD22 1 1 19 11138 1 1 35 LEU HD23 H 11.732 -6.666 -13.823 1.00 . A A . 35 LEU HD23 1 1 19 11139 1 1 35 LEU HG H 9.349 -4.787 -14.026 1.00 . A A . 35 LEU HG 1 1 19 11140 1 1 35 LEU N N 10.494 -6.438 -9.951 1.00 . A A . 35 LEU N 1 1 19 11141 1 1 35 LEU O O 13.301 -5.824 -11.876 1.00 . A A . 35 LEU O 1 1 19 11142 1 1 36 LYS C C 13.809 -3.397 -8.580 1.00 . A A . 36 LYS C 1 1 19 11143 1 1 36 LYS CA C 13.684 -3.724 -10.068 1.00 . A A . 36 LYS CA 1 1 19 11144 1 1 36 LYS CB C 13.666 -2.454 -10.940 1.00 . A A . 36 LYS CB 1 1 19 11145 1 1 36 LYS CD C 16.188 -2.467 -11.205 1.00 . A A . 36 LYS CD 1 1 19 11146 1 1 36 LYS CE C 16.992 -2.876 -9.966 1.00 . A A . 36 LYS CE 1 1 19 11147 1 1 36 LYS CG C 14.965 -1.639 -10.778 1.00 . A A . 36 LYS CG 1 1 19 11148 1 1 36 LYS H H 11.642 -4.207 -9.734 1.00 . A A . 36 LYS H 1 1 19 11149 1 1 36 LYS HA H 14.526 -4.348 -10.362 1.00 . A A . 36 LYS HA 1 1 19 11150 1 1 36 LYS HB2 H 13.556 -2.741 -11.987 1.00 . A A . 36 LYS HB2 1 1 19 11151 1 1 36 LYS HB3 H 12.818 -1.832 -10.651 1.00 . A A . 36 LYS HB3 1 1 19 11152 1 1 36 LYS HD2 H 15.863 -3.356 -11.745 1.00 . A A . 36 LYS HD2 1 1 19 11153 1 1 36 LYS HD3 H 16.819 -1.861 -11.859 1.00 . A A . 36 LYS HD3 1 1 19 11154 1 1 36 LYS HE2 H 17.275 -1.979 -9.413 1.00 . A A . 36 LYS HE2 1 1 19 11155 1 1 36 LYS HE3 H 16.376 -3.505 -9.328 1.00 . A A . 36 LYS HE3 1 1 19 11156 1 1 36 LYS HG2 H 14.902 -0.749 -11.404 1.00 . A A . 36 LYS HG2 1 1 19 11157 1 1 36 LYS HG3 H 15.077 -1.333 -9.739 1.00 . A A . 36 LYS HG3 1 1 19 11158 1 1 36 LYS HZ1 H 17.966 -4.416 -10.896 1.00 . A A . 36 LYS HZ1 1 1 19 11159 1 1 36 LYS HZ2 H 18.829 -3.011 -10.854 1.00 . A A . 36 LYS HZ2 1 1 19 11160 1 1 36 LYS HZ3 H 18.679 -3.928 -9.486 1.00 . A A . 36 LYS HZ3 1 1 19 11161 1 1 36 LYS N N 12.451 -4.462 -10.286 1.00 . A A . 36 LYS N 1 1 19 11162 1 1 36 LYS NZ N 18.211 -3.615 -10.333 1.00 . A A . 36 LYS NZ 1 1 19 11163 1 1 36 LYS O O 13.534 -2.275 -8.157 1.00 . A A . 36 LYS O 1 1 19 11164 1 1 37 PHE C C 15.900 -4.266 -6.025 1.00 . A A . 37 PHE C 1 1 19 11165 1 1 37 PHE CA C 14.406 -4.238 -6.350 1.00 . A A . 37 PHE CA 1 1 19 11166 1 1 37 PHE CB C 13.657 -5.362 -5.623 1.00 . A A . 37 PHE CB 1 1 19 11167 1 1 37 PHE CD1 C 12.549 -4.238 -3.646 1.00 . A A . 37 PHE CD1 1 1 19 11168 1 1 37 PHE CD2 C 14.373 -5.798 -3.231 1.00 . A A . 37 PHE CD2 1 1 19 11169 1 1 37 PHE CE1 C 12.422 -4.019 -2.263 1.00 . A A . 37 PHE CE1 1 1 19 11170 1 1 37 PHE CE2 C 14.246 -5.578 -1.849 1.00 . A A . 37 PHE CE2 1 1 19 11171 1 1 37 PHE CG C 13.525 -5.127 -4.131 1.00 . A A . 37 PHE CG 1 1 19 11172 1 1 37 PHE CZ C 13.271 -4.688 -1.365 1.00 . A A . 37 PHE CZ 1 1 19 11173 1 1 37 PHE H H 14.434 -5.297 -8.195 1.00 . A A . 37 PHE H 1 1 19 11174 1 1 37 PHE HA H 13.994 -3.279 -6.038 1.00 . A A . 37 PHE HA 1 1 19 11175 1 1 37 PHE HB2 H 12.658 -5.445 -6.046 1.00 . A A . 37 PHE HB2 1 1 19 11176 1 1 37 PHE HB3 H 14.183 -6.303 -5.787 1.00 . A A . 37 PHE HB3 1 1 19 11177 1 1 37 PHE HD1 H 11.895 -3.722 -4.335 1.00 . A A . 37 PHE HD1 1 1 19 11178 1 1 37 PHE HD2 H 15.124 -6.480 -3.601 1.00 . A A . 37 PHE HD2 1 1 19 11179 1 1 37 PHE HE1 H 11.672 -3.337 -1.890 1.00 . A A . 37 PHE HE1 1 1 19 11180 1 1 37 PHE HE2 H 14.898 -6.091 -1.158 1.00 . A A . 37 PHE HE2 1 1 19 11181 1 1 37 PHE HZ H 13.173 -4.521 -0.302 1.00 . A A . 37 PHE HZ 1 1 19 11182 1 1 37 PHE N N 14.229 -4.396 -7.788 1.00 . A A . 37 PHE N 1 1 19 11183 1 1 37 PHE O O 16.426 -5.291 -5.593 1.00 . A A . 37 PHE O 1 1 19 11184 1 1 38 GLY C C 18.792 -3.313 -7.259 1.00 . A A . 38 GLY C 1 1 19 11185 1 1 38 GLY CA C 18.008 -3.020 -5.982 1.00 . A A . 38 GLY CA 1 1 19 11186 1 1 38 GLY H H 16.094 -2.322 -6.594 1.00 . A A . 38 GLY H 1 1 19 11187 1 1 38 GLY HA2 H 18.233 -2.009 -5.644 1.00 . A A . 38 GLY HA2 1 1 19 11188 1 1 38 GLY HA3 H 18.299 -3.731 -5.208 1.00 . A A . 38 GLY HA3 1 1 19 11189 1 1 38 GLY N N 16.580 -3.132 -6.240 1.00 . A A . 38 GLY N 1 1 19 11190 1 1 38 GLY O O 18.621 -4.440 -7.774 1.00 . A A . 38 GLY O 1 1 19 11191 1 1 38 GLY OXT O 19.270 -2.324 -7.856 1.00 . A A . 38 GLY OXT 1 1 20 11192 1 1 1 MET C C -12.291 -2.601 7.935 1.00 . A A . 1 MET C 1 1 20 11193 1 1 1 MET CA C -10.947 -3.332 7.925 1.00 . A A . 1 MET CA 1 1 20 11194 1 1 1 MET CB C -10.555 -3.779 9.342 1.00 . A A . 1 MET CB 1 1 20 11195 1 1 1 MET CE C -6.961 -5.563 10.517 1.00 . A A . 1 MET CE 1 1 20 11196 1 1 1 MET CG C -9.145 -4.378 9.339 1.00 . A A . 1 MET CG 1 1 20 11197 1 1 1 MET H1 H -10.276 -2.005 6.519 1.00 . A A . 1 MET H1 1 1 20 11198 1 1 1 MET H2 H -9.642 -1.752 8.025 1.00 . A A . 1 MET H2 1 1 20 11199 1 1 1 MET H3 H -9.103 -3.008 7.097 1.00 . A A . 1 MET H3 1 1 20 11200 1 1 1 MET HA H -11.041 -4.218 7.297 1.00 . A A . 1 MET HA 1 1 20 11201 1 1 1 MET HB2 H -10.580 -2.922 10.013 1.00 . A A . 1 MET HB2 1 1 20 11202 1 1 1 MET HB3 H -11.260 -4.532 9.693 1.00 . A A . 1 MET HB3 1 1 20 11203 1 1 1 MET HE1 H -6.392 -4.692 10.194 1.00 . A A . 1 MET HE1 1 1 20 11204 1 1 1 MET HE2 H -6.485 -6.004 11.393 1.00 . A A . 1 MET HE2 1 1 20 11205 1 1 1 MET HE3 H -6.990 -6.297 9.712 1.00 . A A . 1 MET HE3 1 1 20 11206 1 1 1 MET HG2 H -9.104 -5.173 8.594 1.00 . A A . 1 MET HG2 1 1 20 11207 1 1 1 MET HG3 H -8.432 -3.601 9.061 1.00 . A A . 1 MET HG3 1 1 20 11208 1 1 1 MET N N -9.911 -2.457 7.345 1.00 . A A . 1 MET N 1 1 20 11209 1 1 1 MET O O -12.453 -1.607 7.228 1.00 . A A . 1 MET O 1 1 20 11210 1 1 1 MET SD S -8.646 -5.062 10.939 1.00 . A A . 1 MET SD 1 1 20 11211 1 1 2 SER C C -14.481 -1.138 9.520 1.00 . A A . 2 SER C 1 1 20 11212 1 1 2 SER CA C -14.574 -2.485 8.807 1.00 . A A . 2 SER CA 1 1 20 11213 1 1 2 SER CB C -15.532 -3.425 9.546 1.00 . A A . 2 SER CB 1 1 20 11214 1 1 2 SER H H -13.069 -3.910 9.294 1.00 . A A . 2 SER H 1 1 20 11215 1 1 2 SER HA H -14.950 -2.328 7.795 1.00 . A A . 2 SER HA 1 1 20 11216 1 1 2 SER HB2 H -15.489 -4.414 9.094 1.00 . A A . 2 SER HB2 1 1 20 11217 1 1 2 SER HB3 H -15.245 -3.494 10.596 1.00 . A A . 2 SER HB3 1 1 20 11218 1 1 2 SER HG H -16.854 -1.999 9.720 1.00 . A A . 2 SER HG 1 1 20 11219 1 1 2 SER N N -13.253 -3.094 8.729 1.00 . A A . 2 SER N 1 1 20 11220 1 1 2 SER O O -14.457 -1.093 10.750 1.00 . A A . 2 SER O 1 1 20 11221 1 1 2 SER OG O -16.851 -2.926 9.451 1.00 . A A . 2 SER OG 1 1 20 11222 1 1 3 ASP C C -13.039 1.553 9.974 1.00 . A A . 3 ASP C 1 1 20 11223 1 1 3 ASP CA C -14.363 1.320 9.242 1.00 . A A . 3 ASP CA 1 1 20 11224 1 1 3 ASP CB C -15.568 1.615 10.150 1.00 . A A . 3 ASP CB 1 1 20 11225 1 1 3 ASP CG C -16.877 1.316 9.430 1.00 . A A . 3 ASP CG 1 1 20 11226 1 1 3 ASP H H -14.451 -0.174 7.730 1.00 . A A . 3 ASP H 1 1 20 11227 1 1 3 ASP HA H -14.406 2.001 8.391 1.00 . A A . 3 ASP HA 1 1 20 11228 1 1 3 ASP HB2 H -15.511 1.007 11.049 1.00 . A A . 3 ASP HB2 1 1 20 11229 1 1 3 ASP HB3 H -15.550 2.668 10.433 1.00 . A A . 3 ASP HB3 1 1 20 11230 1 1 3 ASP N N -14.434 -0.050 8.732 1.00 . A A . 3 ASP N 1 1 20 11231 1 1 3 ASP O O -12.141 2.201 9.435 1.00 . A A . 3 ASP O 1 1 20 11232 1 1 3 ASP OD1 O -17.309 0.140 9.499 1.00 . A A . 3 ASP OD1 1 1 20 11233 1 1 3 ASP OD2 O -17.421 2.264 8.825 1.00 . A A . 3 ASP OD2 1 1 20 11234 1 1 4 ASP C C -10.578 0.377 11.342 1.00 . A A . 4 ASP C 1 1 20 11235 1 1 4 ASP CA C -11.711 1.180 11.988 1.00 . A A . 4 ASP CA 1 1 20 11236 1 1 4 ASP CB C -11.988 0.709 13.424 1.00 . A A . 4 ASP CB 1 1 20 11237 1 1 4 ASP CG C -10.864 1.110 14.378 1.00 . A A . 4 ASP CG 1 1 20 11238 1 1 4 ASP H H -13.686 0.503 11.592 1.00 . A A . 4 ASP H 1 1 20 11239 1 1 4 ASP HA H -11.434 2.235 12.005 1.00 . A A . 4 ASP HA 1 1 20 11240 1 1 4 ASP HB2 H -12.919 1.157 13.772 1.00 . A A . 4 ASP HB2 1 1 20 11241 1 1 4 ASP HB3 H -12.092 -0.377 13.430 1.00 . A A . 4 ASP HB3 1 1 20 11242 1 1 4 ASP N N -12.919 1.029 11.197 1.00 . A A . 4 ASP N 1 1 20 11243 1 1 4 ASP O O -10.826 -0.456 10.468 1.00 . A A . 4 ASP O 1 1 20 11244 1 1 4 ASP OD1 O -10.080 2.009 14.001 1.00 . A A . 4 ASP OD1 1 1 20 11245 1 1 4 ASP OD2 O -10.804 0.503 15.469 1.00 . A A . 4 ASP OD2 1 1 20 11246 1 1 5 LYS C C -8.160 0.125 9.686 1.00 . A A . 5 LYS C 1 1 20 11247 1 1 5 LYS CA C -8.151 -0.014 11.216 1.00 . A A . 5 LYS CA 1 1 20 11248 1 1 5 LYS CB C -8.109 -1.498 11.636 1.00 . A A . 5 LYS CB 1 1 20 11249 1 1 5 LYS CD C -8.472 -1.097 14.091 1.00 . A A . 5 LYS CD 1 1 20 11250 1 1 5 LYS CE C -8.013 -1.506 15.492 1.00 . A A . 5 LYS CE 1 1 20 11251 1 1 5 LYS CG C -7.506 -1.647 13.041 1.00 . A A . 5 LYS CG 1 1 20 11252 1 1 5 LYS H H -9.203 1.329 12.503 1.00 . A A . 5 LYS H 1 1 20 11253 1 1 5 LYS HA H -7.263 0.481 11.607 1.00 . A A . 5 LYS HA 1 1 20 11254 1 1 5 LYS HB2 H -9.117 -1.911 11.628 1.00 . A A . 5 LYS HB2 1 1 20 11255 1 1 5 LYS HB3 H -7.491 -2.051 10.929 1.00 . A A . 5 LYS HB3 1 1 20 11256 1 1 5 LYS HD2 H -8.493 -0.011 14.028 1.00 . A A . 5 LYS HD2 1 1 20 11257 1 1 5 LYS HD3 H -9.473 -1.491 13.907 1.00 . A A . 5 LYS HD3 1 1 20 11258 1 1 5 LYS HE2 H -7.810 -2.577 15.509 1.00 . A A . 5 LYS HE2 1 1 20 11259 1 1 5 LYS HE3 H -7.099 -0.964 15.741 1.00 . A A . 5 LYS HE3 1 1 20 11260 1 1 5 LYS HG2 H -7.323 -2.703 13.238 1.00 . A A . 5 LYS HG2 1 1 20 11261 1 1 5 LYS HG3 H -6.562 -1.103 13.093 1.00 . A A . 5 LYS HG3 1 1 20 11262 1 1 5 LYS HZ1 H -9.443 -0.275 16.299 1.00 . A A . 5 LYS HZ1 1 1 20 11263 1 1 5 LYS HZ2 H -9.783 -1.884 16.444 1.00 . A A . 5 LYS HZ2 1 1 20 11264 1 1 5 LYS HZ3 H -8.642 -1.198 17.416 1.00 . A A . 5 LYS HZ3 1 1 20 11265 1 1 5 LYS N N -9.335 0.641 11.769 1.00 . A A . 5 LYS N 1 1 20 11266 1 1 5 LYS NZ N -9.049 -1.193 16.493 1.00 . A A . 5 LYS NZ 1 1 20 11267 1 1 5 LYS O O -8.431 -0.847 8.977 1.00 . A A . 5 LYS O 1 1 20 11268 1 1 6 PRO C C -6.745 0.791 7.060 1.00 . A A . 6 PRO C 1 1 20 11269 1 1 6 PRO CA C -7.850 1.597 7.746 1.00 . A A . 6 PRO CA 1 1 20 11270 1 1 6 PRO CB C -7.613 3.102 7.599 1.00 . A A . 6 PRO CB 1 1 20 11271 1 1 6 PRO CD C -7.551 2.495 9.982 1.00 . A A . 6 PRO CD 1 1 20 11272 1 1 6 PRO CG C -7.373 3.659 9.008 1.00 . A A . 6 PRO CG 1 1 20 11273 1 1 6 PRO HA H -8.817 1.334 7.315 1.00 . A A . 6 PRO HA 1 1 20 11274 1 1 6 PRO HB2 H -6.741 3.285 6.974 1.00 . A A . 6 PRO HB2 1 1 20 11275 1 1 6 PRO HB3 H -8.492 3.575 7.158 1.00 . A A . 6 PRO HB3 1 1 20 11276 1 1 6 PRO HD2 H -6.626 2.326 10.534 1.00 . A A . 6 PRO HD2 1 1 20 11277 1 1 6 PRO HD3 H -8.366 2.709 10.673 1.00 . A A . 6 PRO HD3 1 1 20 11278 1 1 6 PRO HG2 H -6.361 4.057 9.085 1.00 . A A . 6 PRO HG2 1 1 20 11279 1 1 6 PRO HG3 H -8.099 4.443 9.228 1.00 . A A . 6 PRO HG3 1 1 20 11280 1 1 6 PRO N N -7.868 1.337 9.172 1.00 . A A . 6 PRO N 1 1 20 11281 1 1 6 PRO O O -5.976 0.089 7.719 1.00 . A A . 6 PRO O 1 1 20 11282 1 1 7 PHE C C -4.334 0.900 5.052 1.00 . A A . 7 PHE C 1 1 20 11283 1 1 7 PHE CA C -5.674 0.174 4.957 1.00 . A A . 7 PHE CA 1 1 20 11284 1 1 7 PHE CB C -6.144 0.060 3.501 1.00 . A A . 7 PHE CB 1 1 20 11285 1 1 7 PHE CD1 C -8.677 0.034 3.402 1.00 . A A . 7 PHE CD1 1 1 20 11286 1 1 7 PHE CD2 C -7.473 -2.070 3.167 1.00 . A A . 7 PHE CD2 1 1 20 11287 1 1 7 PHE CE1 C -9.898 -0.649 3.264 1.00 . A A . 7 PHE CE1 1 1 20 11288 1 1 7 PHE CE2 C -8.696 -2.751 3.030 1.00 . A A . 7 PHE CE2 1 1 20 11289 1 1 7 PHE CG C -7.462 -0.675 3.352 1.00 . A A . 7 PHE CG 1 1 20 11290 1 1 7 PHE CZ C -9.906 -2.041 3.077 1.00 . A A . 7 PHE CZ 1 1 20 11291 1 1 7 PHE H H -7.315 1.493 5.235 1.00 . A A . 7 PHE H 1 1 20 11292 1 1 7 PHE HA H -5.563 -0.831 5.368 1.00 . A A . 7 PHE HA 1 1 20 11293 1 1 7 PHE HB2 H -6.253 1.062 3.087 1.00 . A A . 7 PHE HB2 1 1 20 11294 1 1 7 PHE HB3 H -5.384 -0.470 2.930 1.00 . A A . 7 PHE HB3 1 1 20 11295 1 1 7 PHE HD1 H -8.674 1.103 3.544 1.00 . A A . 7 PHE HD1 1 1 20 11296 1 1 7 PHE HD2 H -6.543 -2.618 3.130 1.00 . A A . 7 PHE HD2 1 1 20 11297 1 1 7 PHE HE1 H -10.829 -0.104 3.300 1.00 . A A . 7 PHE HE1 1 1 20 11298 1 1 7 PHE HE2 H -8.703 -3.823 2.886 1.00 . A A . 7 PHE HE2 1 1 20 11299 1 1 7 PHE HZ H -10.845 -2.566 2.969 1.00 . A A . 7 PHE HZ 1 1 20 11300 1 1 7 PHE N N -6.668 0.895 5.729 1.00 . A A . 7 PHE N 1 1 20 11301 1 1 7 PHE O O -3.970 1.659 4.156 1.00 . A A . 7 PHE O 1 1 20 11302 1 1 8 LEU C C -1.219 0.392 5.763 1.00 . A A . 8 LEU C 1 1 20 11303 1 1 8 LEU CA C -2.305 1.278 6.377 1.00 . A A . 8 LEU CA 1 1 20 11304 1 1 8 LEU CB C -2.089 1.456 7.889 1.00 . A A . 8 LEU CB 1 1 20 11305 1 1 8 LEU CD1 C -1.201 2.953 9.684 1.00 . A A . 8 LEU CD1 1 1 20 11306 1 1 8 LEU CD2 C 0.123 2.626 7.590 1.00 . A A . 8 LEU CD2 1 1 20 11307 1 1 8 LEU CG C -1.290 2.739 8.172 1.00 . A A . 8 LEU CG 1 1 20 11308 1 1 8 LEU H H -3.964 0.034 6.858 1.00 . A A . 8 LEU H 1 1 20 11309 1 1 8 LEU HA H -2.286 2.257 5.897 1.00 . A A . 8 LEU HA 1 1 20 11310 1 1 8 LEU HB2 H -3.059 1.527 8.383 1.00 . A A . 8 LEU HB2 1 1 20 11311 1 1 8 LEU HB3 H -1.548 0.596 8.285 1.00 . A A . 8 LEU HB3 1 1 20 11312 1 1 8 LEU HD11 H -2.206 3.026 10.100 1.00 . A A . 8 LEU HD11 1 1 20 11313 1 1 8 LEU HD12 H -0.680 2.110 10.141 1.00 . A A . 8 LEU HD12 1 1 20 11314 1 1 8 LEU HD13 H -0.654 3.872 9.890 1.00 . A A . 8 LEU HD13 1 1 20 11315 1 1 8 LEU HD21 H 0.539 1.646 7.827 1.00 . A A . 8 LEU HD21 1 1 20 11316 1 1 8 LEU HD22 H 0.085 2.754 6.511 1.00 . A A . 8 LEU HD22 1 1 20 11317 1 1 8 LEU HD23 H 0.756 3.401 8.023 1.00 . A A . 8 LEU HD23 1 1 20 11318 1 1 8 LEU HG H -1.800 3.591 7.719 1.00 . A A . 8 LEU HG 1 1 20 11319 1 1 8 LEU N N -3.606 0.663 6.151 1.00 . A A . 8 LEU N 1 1 20 11320 1 1 8 LEU O O -1.069 -0.767 6.147 1.00 . A A . 8 LEU O 1 1 20 11321 1 1 9 CYS C C 1.713 -0.143 5.107 1.00 . A A . 9 CYS C 1 1 20 11322 1 1 9 CYS CA C 0.592 0.198 4.131 1.00 . A A . 9 CYS CA 1 1 20 11323 1 1 9 CYS CB C 1.132 1.036 2.975 1.00 . A A . 9 CYS CB 1 1 20 11324 1 1 9 CYS H H -0.631 1.898 4.526 1.00 . A A . 9 CYS H 1 1 20 11325 1 1 9 CYS HA H 0.178 -0.728 3.732 1.00 . A A . 9 CYS HA 1 1 20 11326 1 1 9 CYS HB2 H 0.388 1.087 2.184 1.00 . A A . 9 CYS HB2 1 1 20 11327 1 1 9 CYS HB3 H 1.361 2.040 3.324 1.00 . A A . 9 CYS HB3 1 1 20 11328 1 1 9 CYS N N -0.466 0.938 4.804 1.00 . A A . 9 CYS N 1 1 20 11329 1 1 9 CYS O O 2.435 0.740 5.555 1.00 . A A . 9 CYS O 1 1 20 11330 1 1 9 CYS SG S 2.642 0.259 2.342 1.00 . A A . 9 CYS SG 1 1 20 11331 1 1 10 THR C C 4.234 -1.990 5.539 1.00 . A A . 10 THR C 1 1 20 11332 1 1 10 THR CA C 2.911 -1.900 6.309 1.00 . A A . 10 THR CA 1 1 20 11333 1 1 10 THR CB C 2.506 -3.269 6.874 1.00 . A A . 10 THR CB 1 1 20 11334 1 1 10 THR CG2 C 1.432 -3.083 7.948 1.00 . A A . 10 THR CG2 1 1 20 11335 1 1 10 THR H H 1.233 -2.118 5.030 1.00 . A A . 10 THR H 1 1 20 11336 1 1 10 THR HA H 3.027 -1.195 7.134 1.00 . A A . 10 THR HA 1 1 20 11337 1 1 10 THR HB H 3.378 -3.754 7.316 1.00 . A A . 10 THR HB 1 1 20 11338 1 1 10 THR HG1 H 1.744 -4.933 6.210 1.00 . A A . 10 THR HG1 1 1 20 11339 1 1 10 THR HG21 H 1.825 -2.460 8.752 1.00 . A A . 10 THR HG21 1 1 20 11340 1 1 10 THR HG22 H 0.556 -2.603 7.511 1.00 . A A . 10 THR HG22 1 1 20 11341 1 1 10 THR HG23 H 1.149 -4.057 8.350 1.00 . A A . 10 THR HG23 1 1 20 11342 1 1 10 THR N N 1.863 -1.433 5.420 1.00 . A A . 10 THR N 1 1 20 11343 1 1 10 THR O O 4.646 -3.075 5.137 1.00 . A A . 10 THR O 1 1 20 11344 1 1 10 THR OG1 O 1.989 -4.082 5.833 1.00 . A A . 10 THR OG1 1 1 20 11345 1 1 11 ALA C C 7.219 -0.119 5.505 1.00 . A A . 11 ALA C 1 1 20 11346 1 1 11 ALA CA C 6.160 -0.775 4.612 1.00 . A A . 11 ALA CA 1 1 20 11347 1 1 11 ALA CB C 5.960 0.023 3.318 1.00 . A A . 11 ALA CB 1 1 20 11348 1 1 11 ALA H H 4.508 0.031 5.687 1.00 . A A . 11 ALA H 1 1 20 11349 1 1 11 ALA HA H 6.481 -1.785 4.361 1.00 . A A . 11 ALA HA 1 1 20 11350 1 1 11 ALA HB1 H 5.362 0.909 3.523 1.00 . A A . 11 ALA HB1 1 1 20 11351 1 1 11 ALA HB2 H 6.925 0.325 2.919 1.00 . A A . 11 ALA HB2 1 1 20 11352 1 1 11 ALA HB3 H 5.445 -0.599 2.586 1.00 . A A . 11 ALA HB3 1 1 20 11353 1 1 11 ALA N N 4.893 -0.836 5.332 1.00 . A A . 11 ALA N 1 1 20 11354 1 1 11 ALA O O 6.875 0.637 6.412 1.00 . A A . 11 ALA O 1 1 20 11355 1 1 12 PRO C C 9.648 1.680 5.812 1.00 . A A . 12 PRO C 1 1 20 11356 1 1 12 PRO CA C 9.597 0.171 6.027 1.00 . A A . 12 PRO CA 1 1 20 11357 1 1 12 PRO CB C 10.869 -0.506 5.510 1.00 . A A . 12 PRO CB 1 1 20 11358 1 1 12 PRO CD C 8.958 -1.296 4.205 1.00 . A A . 12 PRO CD 1 1 20 11359 1 1 12 PRO CG C 10.481 -1.197 4.201 1.00 . A A . 12 PRO CG 1 1 20 11360 1 1 12 PRO HA H 9.461 -0.053 7.087 1.00 . A A . 12 PRO HA 1 1 20 11361 1 1 12 PRO HB2 H 11.650 0.233 5.331 1.00 . A A . 12 PRO HB2 1 1 20 11362 1 1 12 PRO HB3 H 11.215 -1.247 6.232 1.00 . A A . 12 PRO HB3 1 1 20 11363 1 1 12 PRO HD2 H 8.562 -0.986 3.241 1.00 . A A . 12 PRO HD2 1 1 20 11364 1 1 12 PRO HD3 H 8.653 -2.320 4.427 1.00 . A A . 12 PRO HD3 1 1 20 11365 1 1 12 PRO HG2 H 10.808 -0.591 3.355 1.00 . A A . 12 PRO HG2 1 1 20 11366 1 1 12 PRO HG3 H 10.929 -2.190 4.148 1.00 . A A . 12 PRO HG3 1 1 20 11367 1 1 12 PRO N N 8.512 -0.402 5.256 1.00 . A A . 12 PRO N 1 1 20 11368 1 1 12 PRO O O 9.952 2.140 4.711 1.00 . A A . 12 PRO O 1 1 20 11369 1 1 13 GLY C C 8.103 4.437 6.116 1.00 . A A . 13 GLY C 1 1 20 11370 1 1 13 GLY CA C 9.370 3.906 6.787 1.00 . A A . 13 GLY CA 1 1 20 11371 1 1 13 GLY H H 9.093 2.024 7.740 1.00 . A A . 13 GLY H 1 1 20 11372 1 1 13 GLY HA2 H 9.439 4.314 7.796 1.00 . A A . 13 GLY HA2 1 1 20 11373 1 1 13 GLY HA3 H 10.241 4.224 6.213 1.00 . A A . 13 GLY HA3 1 1 20 11374 1 1 13 GLY N N 9.345 2.452 6.861 1.00 . A A . 13 GLY N 1 1 20 11375 1 1 13 GLY O O 7.455 5.339 6.642 1.00 . A A . 13 GLY O 1 1 20 11376 1 1 14 CYS C C 5.322 3.750 4.866 1.00 . A A . 14 CYS C 1 1 20 11377 1 1 14 CYS CA C 6.573 4.324 4.213 1.00 . A A . 14 CYS CA 1 1 20 11378 1 1 14 CYS CB C 6.681 3.874 2.759 1.00 . A A . 14 CYS CB 1 1 20 11379 1 1 14 CYS H H 8.312 3.132 4.558 1.00 . A A . 14 CYS H 1 1 20 11380 1 1 14 CYS HA H 6.524 5.412 4.242 1.00 . A A . 14 CYS HA 1 1 20 11381 1 1 14 CYS HB2 H 7.584 4.290 2.312 1.00 . A A . 14 CYS HB2 1 1 20 11382 1 1 14 CYS HB3 H 6.719 2.788 2.713 1.00 . A A . 14 CYS HB3 1 1 20 11383 1 1 14 CYS N N 7.751 3.882 4.948 1.00 . A A . 14 CYS N 1 1 20 11384 1 1 14 CYS O O 5.289 2.575 5.209 1.00 . A A . 14 CYS O 1 1 20 11385 1 1 14 CYS SG S 5.230 4.470 1.857 1.00 . A A . 14 CYS SG 1 1 20 11386 1 1 15 GLY C C 1.869 4.947 5.161 1.00 . A A . 15 GLY C 1 1 20 11387 1 1 15 GLY CA C 3.057 4.142 5.670 1.00 . A A . 15 GLY CA 1 1 20 11388 1 1 15 GLY H H 4.359 5.536 4.736 1.00 . A A . 15 GLY H 1 1 20 11389 1 1 15 GLY HA2 H 2.892 3.092 5.448 1.00 . A A . 15 GLY HA2 1 1 20 11390 1 1 15 GLY HA3 H 3.141 4.270 6.750 1.00 . A A . 15 GLY HA3 1 1 20 11391 1 1 15 GLY N N 4.290 4.580 5.041 1.00 . A A . 15 GLY N 1 1 20 11392 1 1 15 GLY O O 1.154 5.558 5.951 1.00 . A A . 15 GLY O 1 1 20 11393 1 1 16 GLN C C -0.762 4.863 3.579 1.00 . A A . 16 GLN C 1 1 20 11394 1 1 16 GLN CA C 0.515 5.638 3.258 1.00 . A A . 16 GLN CA 1 1 20 11395 1 1 16 GLN CB C 0.707 5.785 1.747 1.00 . A A . 16 GLN CB 1 1 20 11396 1 1 16 GLN CD C 1.951 7.090 -0.023 1.00 . A A . 16 GLN CD 1 1 20 11397 1 1 16 GLN CG C 1.847 6.770 1.466 1.00 . A A . 16 GLN CG 1 1 20 11398 1 1 16 GLN H H 2.267 4.433 3.226 1.00 . A A . 16 GLN H 1 1 20 11399 1 1 16 GLN HA H 0.445 6.632 3.704 1.00 . A A . 16 GLN HA 1 1 20 11400 1 1 16 GLN HB2 H 0.946 4.814 1.314 1.00 . A A . 16 GLN HB2 1 1 20 11401 1 1 16 GLN HB3 H -0.215 6.163 1.303 1.00 . A A . 16 GLN HB3 1 1 20 11402 1 1 16 GLN HE21 H 3.300 8.570 0.345 1.00 . A A . 16 GLN HE21 1 1 20 11403 1 1 16 GLN HE22 H 2.893 8.321 -1.339 1.00 . A A . 16 GLN HE22 1 1 20 11404 1 1 16 GLN HG2 H 1.664 7.694 2.015 1.00 . A A . 16 GLN HG2 1 1 20 11405 1 1 16 GLN HG3 H 2.788 6.336 1.803 1.00 . A A . 16 GLN HG3 1 1 20 11406 1 1 16 GLN N N 1.647 4.939 3.840 1.00 . A A . 16 GLN N 1 1 20 11407 1 1 16 GLN NE2 N 2.783 8.074 -0.366 1.00 . A A . 16 GLN NE2 1 1 20 11408 1 1 16 GLN O O -0.723 3.640 3.749 1.00 . A A . 16 GLN O 1 1 20 11409 1 1 16 GLN OE1 O 1.293 6.462 -0.847 1.00 . A A . 16 GLN OE1 1 1 20 11410 1 1 17 ARG C C -4.147 5.221 2.870 1.00 . A A . 17 ARG C 1 1 20 11411 1 1 17 ARG CA C -3.170 4.993 4.007 1.00 . A A . 17 ARG CA 1 1 20 11412 1 1 17 ARG CB C -3.682 5.628 5.301 1.00 . A A . 17 ARG CB 1 1 20 11413 1 1 17 ARG CD C -6.197 5.772 5.389 1.00 . A A . 17 ARG CD 1 1 20 11414 1 1 17 ARG CG C -4.969 4.936 5.774 1.00 . A A . 17 ARG CG 1 1 20 11415 1 1 17 ARG CZ C -7.299 7.864 6.113 1.00 . A A . 17 ARG CZ 1 1 20 11416 1 1 17 ARG H H -1.848 6.576 3.499 1.00 . A A . 17 ARG H 1 1 20 11417 1 1 17 ARG HA H -3.049 3.921 4.163 1.00 . A A . 17 ARG HA 1 1 20 11418 1 1 17 ARG HB2 H -2.920 5.523 6.069 1.00 . A A . 17 ARG HB2 1 1 20 11419 1 1 17 ARG HB3 H -3.876 6.686 5.129 1.00 . A A . 17 ARG HB3 1 1 20 11420 1 1 17 ARG HD2 H -6.127 6.056 4.340 1.00 . A A . 17 ARG HD2 1 1 20 11421 1 1 17 ARG HD3 H -7.095 5.172 5.536 1.00 . A A . 17 ARG HD3 1 1 20 11422 1 1 17 ARG HE H -5.548 7.154 6.880 1.00 . A A . 17 ARG HE 1 1 20 11423 1 1 17 ARG HG2 H -5.043 3.949 5.317 1.00 . A A . 17 ARG HG2 1 1 20 11424 1 1 17 ARG HG3 H -4.938 4.824 6.859 1.00 . A A . 17 ARG HG3 1 1 20 11425 1 1 17 ARG HH11 H -8.269 6.844 4.635 1.00 . A A . 17 ARG HH11 1 1 20 11426 1 1 17 ARG HH12 H -9.046 8.319 5.157 1.00 . A A . 17 ARG HH12 1 1 20 11427 1 1 17 ARG HH21 H -6.582 9.101 7.570 1.00 . A A . 17 ARG HH21 1 1 20 11428 1 1 17 ARG HH22 H -8.077 9.614 6.824 1.00 . A A . 17 ARG HH22 1 1 20 11429 1 1 17 ARG N N -1.884 5.582 3.669 1.00 . A A . 17 ARG N 1 1 20 11430 1 1 17 ARG NE N -6.287 6.985 6.212 1.00 . A A . 17 ARG NE 1 1 20 11431 1 1 17 ARG NH1 N -8.286 7.660 5.229 1.00 . A A . 17 ARG NH1 1 1 20 11432 1 1 17 ARG NH2 N -7.321 8.948 6.900 1.00 . A A . 17 ARG NH2 1 1 20 11433 1 1 17 ARG O O -4.076 6.236 2.178 1.00 . A A . 17 ARG O 1 1 20 11434 1 1 18 PHE C C -7.391 3.822 2.168 1.00 . A A . 18 PHE C 1 1 20 11435 1 1 18 PHE CA C -6.061 4.345 1.635 1.00 . A A . 18 PHE CA 1 1 20 11436 1 1 18 PHE CB C -5.585 3.525 0.430 1.00 . A A . 18 PHE CB 1 1 20 11437 1 1 18 PHE CD1 C -3.086 3.198 0.670 1.00 . A A . 18 PHE CD1 1 1 20 11438 1 1 18 PHE CD2 C -3.900 4.791 -0.980 1.00 . A A . 18 PHE CD2 1 1 20 11439 1 1 18 PHE CE1 C -1.764 3.501 0.313 1.00 . A A . 18 PHE CE1 1 1 20 11440 1 1 18 PHE CE2 C -2.574 5.092 -1.337 1.00 . A A . 18 PHE CE2 1 1 20 11441 1 1 18 PHE CG C -4.157 3.841 0.024 1.00 . A A . 18 PHE CG 1 1 20 11442 1 1 18 PHE CZ C -1.506 4.446 -0.689 1.00 . A A . 18 PHE CZ 1 1 20 11443 1 1 18 PHE H H -5.065 3.461 3.294 1.00 . A A . 18 PHE H 1 1 20 11444 1 1 18 PHE HA H -6.188 5.384 1.329 1.00 . A A . 18 PHE HA 1 1 20 11445 1 1 18 PHE HB2 H -5.651 2.464 0.680 1.00 . A A . 18 PHE HB2 1 1 20 11446 1 1 18 PHE HB3 H -6.244 3.725 -0.415 1.00 . A A . 18 PHE HB3 1 1 20 11447 1 1 18 PHE HD1 H -3.281 2.480 1.448 1.00 . A A . 18 PHE HD1 1 1 20 11448 1 1 18 PHE HD2 H -4.719 5.292 -1.472 1.00 . A A . 18 PHE HD2 1 1 20 11449 1 1 18 PHE HE1 H -0.943 3.009 0.814 1.00 . A A . 18 PHE HE1 1 1 20 11450 1 1 18 PHE HE2 H -2.374 5.824 -2.106 1.00 . A A . 18 PHE HE2 1 1 20 11451 1 1 18 PHE HZ H -0.489 4.681 -0.957 1.00 . A A . 18 PHE HZ 1 1 20 11452 1 1 18 PHE N N -5.062 4.270 2.685 1.00 . A A . 18 PHE N 1 1 20 11453 1 1 18 PHE O O -7.442 3.257 3.261 1.00 . A A . 18 PHE O 1 1 20 11454 1 1 19 THR C C -10.126 2.234 1.078 1.00 . A A . 19 THR C 1 1 20 11455 1 1 19 THR CA C -9.797 3.555 1.783 1.00 . A A . 19 THR CA 1 1 20 11456 1 1 19 THR CB C -10.828 4.645 1.440 1.00 . A A . 19 THR CB 1 1 20 11457 1 1 19 THR CG2 C -10.950 4.818 -0.080 1.00 . A A . 19 THR CG2 1 1 20 11458 1 1 19 THR H H -8.363 4.485 0.510 1.00 . A A . 19 THR H 1 1 20 11459 1 1 19 THR HA H -9.816 3.389 2.860 1.00 . A A . 19 THR HA 1 1 20 11460 1 1 19 THR HB H -10.511 5.591 1.883 1.00 . A A . 19 THR HB 1 1 20 11461 1 1 19 THR HG1 H -12.313 3.407 1.649 1.00 . A A . 19 THR HG1 1 1 20 11462 1 1 19 THR HG21 H -9.968 5.018 -0.507 1.00 . A A . 19 THR HG21 1 1 20 11463 1 1 19 THR HG22 H -11.358 3.909 -0.521 1.00 . A A . 19 THR HG22 1 1 20 11464 1 1 19 THR HG23 H -11.614 5.654 -0.296 1.00 . A A . 19 THR HG23 1 1 20 11465 1 1 19 THR N N -8.466 4.012 1.395 1.00 . A A . 19 THR N 1 1 20 11466 1 1 19 THR O O -11.285 1.822 1.042 1.00 . A A . 19 THR O 1 1 20 11467 1 1 19 THR OG1 O -12.086 4.287 1.970 1.00 . A A . 19 THR OG1 1 1 20 11468 1 1 20 ASN C C -7.944 -0.390 -0.340 1.00 . A A . 20 ASN C 1 1 20 11469 1 1 20 ASN CA C -9.286 0.317 -0.193 1.00 . A A . 20 ASN CA 1 1 20 11470 1 1 20 ASN CB C -9.906 0.579 -1.576 1.00 . A A . 20 ASN CB 1 1 20 11471 1 1 20 ASN CG C -9.410 1.889 -2.190 1.00 . A A . 20 ASN CG 1 1 20 11472 1 1 20 ASN H H -8.170 1.950 0.580 1.00 . A A . 20 ASN H 1 1 20 11473 1 1 20 ASN HA H -9.958 -0.322 0.381 1.00 . A A . 20 ASN HA 1 1 20 11474 1 1 20 ASN HB2 H -9.646 -0.244 -2.243 1.00 . A A . 20 ASN HB2 1 1 20 11475 1 1 20 ASN HB3 H -10.990 0.624 -1.475 1.00 . A A . 20 ASN HB3 1 1 20 11476 1 1 20 ASN HD21 H -7.467 1.406 -1.817 1.00 . A A . 20 ASN HD21 1 1 20 11477 1 1 20 ASN HD22 H -7.723 2.925 -2.648 1.00 . A A . 20 ASN HD22 1 1 20 11478 1 1 20 ASN N N -9.105 1.572 0.517 1.00 . A A . 20 ASN N 1 1 20 11479 1 1 20 ASN ND2 N -8.093 2.089 -2.221 1.00 . A A . 20 ASN ND2 1 1 20 11480 1 1 20 ASN O O -6.896 0.259 -0.407 1.00 . A A . 20 ASN O 1 1 20 11481 1 1 20 ASN OD1 O -10.210 2.709 -2.630 1.00 . A A . 20 ASN OD1 1 1 20 11482 1 1 21 GLU C C -6.251 -2.425 -1.996 1.00 . A A . 21 GLU C 1 1 20 11483 1 1 21 GLU CA C -6.779 -2.527 -0.559 1.00 . A A . 21 GLU CA 1 1 20 11484 1 1 21 GLU CB C -7.083 -3.985 -0.188 1.00 . A A . 21 GLU CB 1 1 20 11485 1 1 21 GLU CD C -8.593 -5.943 -0.633 1.00 . A A . 21 GLU CD 1 1 20 11486 1 1 21 GLU CG C -8.141 -4.577 -1.129 1.00 . A A . 21 GLU CG 1 1 20 11487 1 1 21 GLU H H -8.867 -2.200 -0.332 1.00 . A A . 21 GLU H 1 1 20 11488 1 1 21 GLU HA H -6.015 -2.150 0.120 1.00 . A A . 21 GLU HA 1 1 20 11489 1 1 21 GLU HB2 H -6.168 -4.574 -0.262 1.00 . A A . 21 GLU HB2 1 1 20 11490 1 1 21 GLU HB3 H -7.452 -4.025 0.836 1.00 . A A . 21 GLU HB3 1 1 20 11491 1 1 21 GLU HG2 H -9.003 -3.914 -1.174 1.00 . A A . 21 GLU HG2 1 1 20 11492 1 1 21 GLU HG3 H -7.717 -4.681 -2.128 1.00 . A A . 21 GLU HG3 1 1 20 11493 1 1 21 GLU N N -7.980 -1.724 -0.399 1.00 . A A . 21 GLU N 1 1 20 11494 1 1 21 GLU O O -5.104 -2.770 -2.252 1.00 . A A . 21 GLU O 1 1 20 11495 1 1 21 GLU OE1 O -9.308 -5.964 0.394 1.00 . A A . 21 GLU OE1 1 1 20 11496 1 1 21 GLU OE2 O -8.216 -6.939 -1.285 1.00 . A A . 21 GLU OE2 1 1 20 11497 1 1 22 ASP C C -5.484 -0.878 -4.442 1.00 . A A . 22 ASP C 1 1 20 11498 1 1 22 ASP CA C -6.697 -1.804 -4.326 1.00 . A A . 22 ASP CA 1 1 20 11499 1 1 22 ASP CB C -7.880 -1.251 -5.125 1.00 . A A . 22 ASP CB 1 1 20 11500 1 1 22 ASP CG C -7.490 -1.019 -6.580 1.00 . A A . 22 ASP CG 1 1 20 11501 1 1 22 ASP H H -8.025 -1.680 -2.669 1.00 . A A . 22 ASP H 1 1 20 11502 1 1 22 ASP HA H -6.431 -2.786 -4.723 1.00 . A A . 22 ASP HA 1 1 20 11503 1 1 22 ASP HB2 H -8.704 -1.963 -5.084 1.00 . A A . 22 ASP HB2 1 1 20 11504 1 1 22 ASP HB3 H -8.202 -0.306 -4.685 1.00 . A A . 22 ASP HB3 1 1 20 11505 1 1 22 ASP N N -7.089 -1.949 -2.929 1.00 . A A . 22 ASP N 1 1 20 11506 1 1 22 ASP O O -4.452 -1.264 -4.994 1.00 . A A . 22 ASP O 1 1 20 11507 1 1 22 ASP OD1 O -7.646 -1.975 -7.368 1.00 . A A . 22 ASP OD1 1 1 20 11508 1 1 22 ASP OD2 O -7.042 0.110 -6.874 1.00 . A A . 22 ASP OD2 1 1 20 11509 1 1 23 HIS C C -3.355 0.800 -3.128 1.00 . A A . 23 HIS C 1 1 20 11510 1 1 23 HIS CA C -4.519 1.310 -3.966 1.00 . A A . 23 HIS CA 1 1 20 11511 1 1 23 HIS CB C -4.999 2.669 -3.449 1.00 . A A . 23 HIS CB 1 1 20 11512 1 1 23 HIS CD2 C -7.035 2.977 -5.101 1.00 . A A . 23 HIS CD2 1 1 20 11513 1 1 23 HIS CE1 C -6.714 5.011 -5.652 1.00 . A A . 23 HIS CE1 1 1 20 11514 1 1 23 HIS CG C -5.914 3.377 -4.416 1.00 . A A . 23 HIS CG 1 1 20 11515 1 1 23 HIS H H -6.468 0.613 -3.470 1.00 . A A . 23 HIS H 1 1 20 11516 1 1 23 HIS HA H -4.191 1.420 -5.000 1.00 . A A . 23 HIS HA 1 1 20 11517 1 1 23 HIS HB2 H -5.522 2.523 -2.505 1.00 . A A . 23 HIS HB2 1 1 20 11518 1 1 23 HIS HB3 H -4.127 3.299 -3.272 1.00 . A A . 23 HIS HB3 1 1 20 11519 1 1 23 HIS HD1 H -4.986 5.316 -4.477 1.00 . A A . 23 HIS HD1 1 1 20 11520 1 1 23 HIS HD2 H -7.466 1.990 -5.037 1.00 . A A . 23 HIS HD2 1 1 20 11521 1 1 23 HIS HE1 H -6.819 5.984 -6.109 1.00 . A A . 23 HIS HE1 1 1 20 11522 1 1 23 HIS N N -5.606 0.345 -3.917 1.00 . A A . 23 HIS N 1 1 20 11523 1 1 23 HIS ND1 N -5.723 4.702 -4.790 1.00 . A A . 23 HIS ND1 1 1 20 11524 1 1 23 HIS NE2 N -7.551 4.000 -5.884 1.00 . A A . 23 HIS NE2 1 1 20 11525 1 1 23 HIS O O -2.194 1.039 -3.457 1.00 . A A . 23 HIS O 1 1 20 11526 1 1 24 LEU C C -1.842 -1.520 -1.929 1.00 . A A . 24 LEU C 1 1 20 11527 1 1 24 LEU CA C -2.655 -0.469 -1.172 1.00 . A A . 24 LEU CA 1 1 20 11528 1 1 24 LEU CB C -3.328 -1.095 0.045 1.00 . A A . 24 LEU CB 1 1 20 11529 1 1 24 LEU CD1 C -2.329 0.037 2.035 1.00 . A A . 24 LEU CD1 1 1 20 11530 1 1 24 LEU CD2 C -2.706 -2.423 2.076 1.00 . A A . 24 LEU CD2 1 1 20 11531 1 1 24 LEU CG C -2.316 -1.234 1.197 1.00 . A A . 24 LEU CG 1 1 20 11532 1 1 24 LEU H H -4.642 -0.072 -1.814 1.00 . A A . 24 LEU H 1 1 20 11533 1 1 24 LEU HA H -1.990 0.330 -0.844 1.00 . A A . 24 LEU HA 1 1 20 11534 1 1 24 LEU HB2 H -4.158 -0.464 0.365 1.00 . A A . 24 LEU HB2 1 1 20 11535 1 1 24 LEU HB3 H -3.711 -2.078 -0.226 1.00 . A A . 24 LEU HB3 1 1 20 11536 1 1 24 LEU HD11 H -3.355 0.354 2.198 1.00 . A A . 24 LEU HD11 1 1 20 11537 1 1 24 LEU HD12 H -1.857 -0.157 2.993 1.00 . A A . 24 LEU HD12 1 1 20 11538 1 1 24 LEU HD13 H -1.784 0.821 1.515 1.00 . A A . 24 LEU HD13 1 1 20 11539 1 1 24 LEU HD21 H -3.707 -2.264 2.479 1.00 . A A . 24 LEU HD21 1 1 20 11540 1 1 24 LEU HD22 H -2.694 -3.336 1.481 1.00 . A A . 24 LEU HD22 1 1 20 11541 1 1 24 LEU HD23 H -1.995 -2.516 2.898 1.00 . A A . 24 LEU HD23 1 1 20 11542 1 1 24 LEU HG H -1.308 -1.389 0.796 1.00 . A A . 24 LEU HG 1 1 20 11543 1 1 24 LEU N N -3.669 0.091 -2.043 1.00 . A A . 24 LEU N 1 1 20 11544 1 1 24 LEU O O -0.654 -1.666 -1.683 1.00 . A A . 24 LEU O 1 1 20 11545 1 1 25 ALA C C -0.777 -2.711 -4.534 1.00 . A A . 25 ALA C 1 1 20 11546 1 1 25 ALA CA C -1.840 -3.302 -3.614 1.00 . A A . 25 ALA CA 1 1 20 11547 1 1 25 ALA CB C -2.890 -4.066 -4.424 1.00 . A A . 25 ALA CB 1 1 20 11548 1 1 25 ALA H H -3.476 -2.082 -3.013 1.00 . A A . 25 ALA H 1 1 20 11549 1 1 25 ALA HA H -1.360 -3.996 -2.922 1.00 . A A . 25 ALA HA 1 1 20 11550 1 1 25 ALA HB1 H -3.656 -4.455 -3.752 1.00 . A A . 25 ALA HB1 1 1 20 11551 1 1 25 ALA HB2 H -3.350 -3.398 -5.150 1.00 . A A . 25 ALA HB2 1 1 20 11552 1 1 25 ALA HB3 H -2.412 -4.895 -4.946 1.00 . A A . 25 ALA HB3 1 1 20 11553 1 1 25 ALA N N -2.493 -2.252 -2.845 1.00 . A A . 25 ALA N 1 1 20 11554 1 1 25 ALA O O 0.389 -3.082 -4.445 1.00 . A A . 25 ALA O 1 1 20 11555 1 1 26 VAL C C 0.865 -0.447 -5.589 1.00 . A A . 26 VAL C 1 1 20 11556 1 1 26 VAL CA C -0.238 -1.175 -6.361 1.00 . A A . 26 VAL CA 1 1 20 11557 1 1 26 VAL CB C -0.979 -0.217 -7.314 1.00 . A A . 26 VAL CB 1 1 20 11558 1 1 26 VAL CG1 C -1.993 -1.007 -8.147 1.00 . A A . 26 VAL CG1 1 1 20 11559 1 1 26 VAL CG2 C -1.711 0.877 -6.528 1.00 . A A . 26 VAL CG2 1 1 20 11560 1 1 26 VAL H H -2.149 -1.516 -5.461 1.00 . A A . 26 VAL H 1 1 20 11561 1 1 26 VAL HA H 0.223 -1.964 -6.957 1.00 . A A . 26 VAL HA 1 1 20 11562 1 1 26 VAL HB H -0.255 0.249 -7.984 1.00 . A A . 26 VAL HB 1 1 20 11563 1 1 26 VAL HG11 H -1.485 -1.819 -8.666 1.00 . A A . 26 VAL HG11 1 1 20 11564 1 1 26 VAL HG12 H -2.764 -1.418 -7.495 1.00 . A A . 26 VAL HG12 1 1 20 11565 1 1 26 VAL HG13 H -2.456 -0.344 -8.880 1.00 . A A . 26 VAL HG13 1 1 20 11566 1 1 26 VAL HG21 H -2.396 0.421 -5.819 1.00 . A A . 26 VAL HG21 1 1 20 11567 1 1 26 VAL HG22 H -0.989 1.494 -5.992 1.00 . A A . 26 VAL HG22 1 1 20 11568 1 1 26 VAL HG23 H -2.274 1.505 -7.219 1.00 . A A . 26 VAL HG23 1 1 20 11569 1 1 26 VAL N N -1.176 -1.793 -5.425 1.00 . A A . 26 VAL N 1 1 20 11570 1 1 26 VAL O O 2.029 -0.476 -5.987 1.00 . A A . 26 VAL O 1 1 20 11571 1 1 27 HIS C C 2.433 -0.065 -3.025 1.00 . A A . 27 HIS C 1 1 20 11572 1 1 27 HIS CA C 1.446 0.921 -3.655 1.00 . A A . 27 HIS CA 1 1 20 11573 1 1 27 HIS CB C 0.674 1.694 -2.592 1.00 . A A . 27 HIS CB 1 1 20 11574 1 1 27 HIS CD2 C 1.834 2.266 -0.329 1.00 . A A . 27 HIS CD2 1 1 20 11575 1 1 27 HIS CE1 C 2.969 3.964 -0.926 1.00 . A A . 27 HIS CE1 1 1 20 11576 1 1 27 HIS CG C 1.561 2.445 -1.650 1.00 . A A . 27 HIS CG 1 1 20 11577 1 1 27 HIS H H -0.475 0.198 -4.197 1.00 . A A . 27 HIS H 1 1 20 11578 1 1 27 HIS HA H 1.997 1.628 -4.278 1.00 . A A . 27 HIS HA 1 1 20 11579 1 1 27 HIS HB2 H 0.007 2.402 -3.084 1.00 . A A . 27 HIS HB2 1 1 20 11580 1 1 27 HIS HB3 H 0.076 0.990 -2.015 1.00 . A A . 27 HIS HB3 1 1 20 11581 1 1 27 HIS HD1 H 2.347 3.973 -2.944 1.00 . A A . 27 HIS HD1 1 1 20 11582 1 1 27 HIS HD2 H 1.407 1.478 0.262 1.00 . A A . 27 HIS HD2 1 1 20 11583 1 1 27 HIS HE1 H 3.634 4.815 -0.916 1.00 . A A . 27 HIS HE1 1 1 20 11584 1 1 27 HIS N N 0.497 0.202 -4.481 1.00 . A A . 27 HIS N 1 1 20 11585 1 1 27 HIS ND1 N 2.307 3.554 -2.026 1.00 . A A . 27 HIS ND1 1 1 20 11586 1 1 27 HIS NE2 N 2.718 3.217 0.153 1.00 . A A . 27 HIS NE2 1 1 20 11587 1 1 27 HIS O O 3.636 0.186 -3.006 1.00 . A A . 27 HIS O 1 1 20 11588 1 1 28 LYS C C 3.706 -2.790 -2.973 1.00 . A A . 28 LYS C 1 1 20 11589 1 1 28 LYS CA C 2.762 -2.219 -1.918 1.00 . A A . 28 LYS CA 1 1 20 11590 1 1 28 LYS CB C 1.894 -3.343 -1.327 1.00 . A A . 28 LYS CB 1 1 20 11591 1 1 28 LYS CD C 2.741 -3.250 1.036 1.00 . A A . 28 LYS CD 1 1 20 11592 1 1 28 LYS CE C 2.309 -3.244 2.507 1.00 . A A . 28 LYS CE 1 1 20 11593 1 1 28 LYS CG C 1.524 -3.026 0.127 1.00 . A A . 28 LYS CG 1 1 20 11594 1 1 28 LYS H H 0.920 -1.345 -2.541 1.00 . A A . 28 LYS H 1 1 20 11595 1 1 28 LYS HA H 3.353 -1.770 -1.125 1.00 . A A . 28 LYS HA 1 1 20 11596 1 1 28 LYS HB2 H 0.987 -3.451 -1.918 1.00 . A A . 28 LYS HB2 1 1 20 11597 1 1 28 LYS HB3 H 2.450 -4.281 -1.357 1.00 . A A . 28 LYS HB3 1 1 20 11598 1 1 28 LYS HD2 H 3.204 -4.208 0.798 1.00 . A A . 28 LYS HD2 1 1 20 11599 1 1 28 LYS HD3 H 3.465 -2.452 0.874 1.00 . A A . 28 LYS HD3 1 1 20 11600 1 1 28 LYS HE2 H 3.125 -2.853 3.112 1.00 . A A . 28 LYS HE2 1 1 20 11601 1 1 28 LYS HE3 H 1.438 -2.599 2.623 1.00 . A A . 28 LYS HE3 1 1 20 11602 1 1 28 LYS HG2 H 1.196 -1.988 0.202 1.00 . A A . 28 LYS HG2 1 1 20 11603 1 1 28 LYS HG3 H 0.712 -3.684 0.441 1.00 . A A . 28 LYS HG3 1 1 20 11604 1 1 28 LYS HZ1 H 2.762 -5.215 2.822 1.00 . A A . 28 LYS HZ1 1 1 20 11605 1 1 28 LYS HZ2 H 1.759 -4.571 3.966 1.00 . A A . 28 LYS HZ2 1 1 20 11606 1 1 28 LYS HZ3 H 1.173 -4.948 2.467 1.00 . A A . 28 LYS HZ3 1 1 20 11607 1 1 28 LYS N N 1.920 -1.192 -2.513 1.00 . A A . 28 LYS N 1 1 20 11608 1 1 28 LYS NZ N 1.974 -4.600 2.975 1.00 . A A . 28 LYS NZ 1 1 20 11609 1 1 28 LYS O O 4.870 -3.031 -2.686 1.00 . A A . 28 LYS O 1 1 20 11610 1 1 29 HIS C C 5.200 -2.653 -5.553 1.00 . A A . 29 HIS C 1 1 20 11611 1 1 29 HIS CA C 4.005 -3.561 -5.269 1.00 . A A . 29 HIS CA 1 1 20 11612 1 1 29 HIS CB C 3.143 -3.737 -6.521 1.00 . A A . 29 HIS CB 1 1 20 11613 1 1 29 HIS CD2 C 3.723 -4.362 -9.017 1.00 . A A . 29 HIS CD2 1 1 20 11614 1 1 29 HIS CE1 C 5.398 -5.636 -8.674 1.00 . A A . 29 HIS CE1 1 1 20 11615 1 1 29 HIS CG C 3.892 -4.397 -7.655 1.00 . A A . 29 HIS CG 1 1 20 11616 1 1 29 HIS H H 2.230 -2.790 -4.380 1.00 . A A . 29 HIS H 1 1 20 11617 1 1 29 HIS HA H 4.375 -4.540 -4.957 1.00 . A A . 29 HIS HA 1 1 20 11618 1 1 29 HIS HB2 H 2.278 -4.351 -6.271 1.00 . A A . 29 HIS HB2 1 1 20 11619 1 1 29 HIS HB3 H 2.797 -2.760 -6.853 1.00 . A A . 29 HIS HB3 1 1 20 11620 1 1 29 HIS HD1 H 5.401 -5.485 -6.567 1.00 . A A . 29 HIS HD1 1 1 20 11621 1 1 29 HIS HD2 H 2.949 -3.798 -9.517 1.00 . A A . 29 HIS HD2 1 1 20 11622 1 1 29 HIS HE1 H 6.240 -6.296 -8.827 1.00 . A A . 29 HIS HE1 1 1 20 11623 1 1 29 HIS N N 3.200 -3.009 -4.191 1.00 . A A . 29 HIS N 1 1 20 11624 1 1 29 HIS ND1 N 4.989 -5.232 -7.455 1.00 . A A . 29 HIS ND1 1 1 20 11625 1 1 29 HIS NE2 N 4.667 -5.139 -9.673 1.00 . A A . 29 HIS NE2 1 1 20 11626 1 1 29 HIS O O 6.298 -3.143 -5.781 1.00 . A A . 29 HIS O 1 1 20 11627 1 1 30 LYS C C 7.186 -0.568 -4.754 1.00 . A A . 30 LYS C 1 1 20 11628 1 1 30 LYS CA C 6.068 -0.379 -5.784 1.00 . A A . 30 LYS CA 1 1 20 11629 1 1 30 LYS CB C 5.522 1.050 -5.755 1.00 . A A . 30 LYS CB 1 1 20 11630 1 1 30 LYS CD C 4.316 2.793 -7.092 1.00 . A A . 30 LYS CD 1 1 20 11631 1 1 30 LYS CE C 3.832 3.163 -8.498 1.00 . A A . 30 LYS CE 1 1 20 11632 1 1 30 LYS CG C 4.830 1.350 -7.086 1.00 . A A . 30 LYS CG 1 1 20 11633 1 1 30 LYS H H 4.062 -0.970 -5.345 1.00 . A A . 30 LYS H 1 1 20 11634 1 1 30 LYS HA H 6.480 -0.574 -6.774 1.00 . A A . 30 LYS HA 1 1 20 11635 1 1 30 LYS HB2 H 4.810 1.156 -4.938 1.00 . A A . 30 LYS HB2 1 1 20 11636 1 1 30 LYS HB3 H 6.346 1.750 -5.611 1.00 . A A . 30 LYS HB3 1 1 20 11637 1 1 30 LYS HD2 H 3.489 2.884 -6.387 1.00 . A A . 30 LYS HD2 1 1 20 11638 1 1 30 LYS HD3 H 5.120 3.467 -6.794 1.00 . A A . 30 LYS HD3 1 1 20 11639 1 1 30 LYS HE2 H 3.169 2.380 -8.867 1.00 . A A . 30 LYS HE2 1 1 20 11640 1 1 30 LYS HE3 H 3.280 4.103 -8.449 1.00 . A A . 30 LYS HE3 1 1 20 11641 1 1 30 LYS HG2 H 5.541 1.212 -7.899 1.00 . A A . 30 LYS HG2 1 1 20 11642 1 1 30 LYS HG3 H 3.991 0.666 -7.222 1.00 . A A . 30 LYS HG3 1 1 20 11643 1 1 30 LYS HZ1 H 5.520 2.468 -9.439 1.00 . A A . 30 LYS HZ1 1 1 20 11644 1 1 30 LYS HZ2 H 4.619 3.495 -10.363 1.00 . A A . 30 LYS HZ2 1 1 20 11645 1 1 30 LYS HZ3 H 5.544 4.091 -9.133 1.00 . A A . 30 LYS HZ3 1 1 20 11646 1 1 30 LYS N N 4.989 -1.329 -5.535 1.00 . A A . 30 LYS N 1 1 20 11647 1 1 30 LYS NZ N 4.966 3.319 -9.429 1.00 . A A . 30 LYS NZ 1 1 20 11648 1 1 30 LYS O O 8.353 -0.334 -5.064 1.00 . A A . 30 LYS O 1 1 20 11649 1 1 31 HIS C C 8.462 -2.629 -2.781 1.00 . A A . 31 HIS C 1 1 20 11650 1 1 31 HIS CA C 7.827 -1.269 -2.505 1.00 . A A . 31 HIS CA 1 1 20 11651 1 1 31 HIS CB C 7.161 -1.252 -1.126 1.00 . A A . 31 HIS CB 1 1 20 11652 1 1 31 HIS CD2 C 5.356 0.484 -0.290 1.00 . A A . 31 HIS CD2 1 1 20 11653 1 1 31 HIS CE1 C 6.492 2.272 -0.529 1.00 . A A . 31 HIS CE1 1 1 20 11654 1 1 31 HIS CG C 6.580 0.093 -0.781 1.00 . A A . 31 HIS CG 1 1 20 11655 1 1 31 HIS H H 5.860 -1.162 -3.319 1.00 . A A . 31 HIS H 1 1 20 11656 1 1 31 HIS HA H 8.601 -0.502 -2.538 1.00 . A A . 31 HIS HA 1 1 20 11657 1 1 31 HIS HB2 H 6.369 -1.995 -1.108 1.00 . A A . 31 HIS HB2 1 1 20 11658 1 1 31 HIS HB3 H 7.906 -1.514 -0.374 1.00 . A A . 31 HIS HB3 1 1 20 11659 1 1 31 HIS HD1 H 8.245 1.363 -1.271 1.00 . A A . 31 HIS HD1 1 1 20 11660 1 1 31 HIS HD2 H 4.544 -0.194 -0.060 1.00 . A A . 31 HIS HD2 1 1 20 11661 1 1 31 HIS HE1 H 6.790 3.310 -0.534 1.00 . A A . 31 HIS HE1 1 1 20 11662 1 1 31 HIS N N 6.836 -1.000 -3.535 1.00 . A A . 31 HIS N 1 1 20 11663 1 1 31 HIS ND1 N 7.299 1.274 -0.929 1.00 . A A . 31 HIS ND1 1 1 20 11664 1 1 31 HIS NE2 N 5.292 1.857 -0.122 1.00 . A A . 31 HIS NE2 1 1 20 11665 1 1 31 HIS O O 9.678 -2.734 -2.929 1.00 . A A . 31 HIS O 1 1 20 11666 1 1 32 GLU C C 8.135 -5.219 -4.655 1.00 . A A . 32 GLU C 1 1 20 11667 1 1 32 GLU CA C 8.072 -5.021 -3.137 1.00 . A A . 32 GLU CA 1 1 20 11668 1 1 32 GLU CB C 7.097 -6.008 -2.476 1.00 . A A . 32 GLU CB 1 1 20 11669 1 1 32 GLU CD C 6.795 -8.377 -1.681 1.00 . A A . 32 GLU CD 1 1 20 11670 1 1 32 GLU CG C 7.756 -7.383 -2.326 1.00 . A A . 32 GLU CG 1 1 20 11671 1 1 32 GLU H H 6.634 -3.515 -2.726 1.00 . A A . 32 GLU H 1 1 20 11672 1 1 32 GLU HA H 9.066 -5.165 -2.716 1.00 . A A . 32 GLU HA 1 1 20 11673 1 1 32 GLU HB2 H 6.822 -5.634 -1.489 1.00 . A A . 32 GLU HB2 1 1 20 11674 1 1 32 GLU HB3 H 6.198 -6.101 -3.088 1.00 . A A . 32 GLU HB3 1 1 20 11675 1 1 32 GLU HG2 H 8.049 -7.754 -3.308 1.00 . A A . 32 GLU HG2 1 1 20 11676 1 1 32 GLU HG3 H 8.643 -7.289 -1.700 1.00 . A A . 32 GLU HG3 1 1 20 11677 1 1 32 GLU N N 7.622 -3.669 -2.859 1.00 . A A . 32 GLU N 1 1 20 11678 1 1 32 GLU O O 7.528 -6.143 -5.201 1.00 . A A . 32 GLU O 1 1 20 11679 1 1 32 GLU OE1 O 6.196 -8.001 -0.650 1.00 . A A . 32 GLU OE1 1 1 20 11680 1 1 32 GLU OE2 O 6.679 -9.493 -2.232 1.00 . A A . 32 GLU OE2 1 1 20 11681 1 1 33 MET C C 10.047 -5.432 -7.165 1.00 . A A . 33 MET C 1 1 20 11682 1 1 33 MET CA C 9.002 -4.388 -6.783 1.00 . A A . 33 MET CA 1 1 20 11683 1 1 33 MET CB C 9.398 -3.001 -7.309 1.00 . A A . 33 MET CB 1 1 20 11684 1 1 33 MET CE C 6.863 -2.401 -10.595 1.00 . A A . 33 MET CE 1 1 20 11685 1 1 33 MET CG C 8.859 -2.800 -8.729 1.00 . A A . 33 MET CG 1 1 20 11686 1 1 33 MET H H 9.347 -3.594 -4.836 1.00 . A A . 33 MET H 1 1 20 11687 1 1 33 MET HA H 8.041 -4.671 -7.215 1.00 . A A . 33 MET HA 1 1 20 11688 1 1 33 MET HB2 H 8.980 -2.233 -6.658 1.00 . A A . 33 MET HB2 1 1 20 11689 1 1 33 MET HB3 H 10.485 -2.912 -7.317 1.00 . A A . 33 MET HB3 1 1 20 11690 1 1 33 MET HE1 H 7.463 -1.559 -10.938 1.00 . A A . 33 MET HE1 1 1 20 11691 1 1 33 MET HE2 H 7.192 -3.310 -11.098 1.00 . A A . 33 MET HE2 1 1 20 11692 1 1 33 MET HE3 H 5.814 -2.219 -10.826 1.00 . A A . 33 MET HE3 1 1 20 11693 1 1 33 MET HG2 H 9.324 -1.911 -9.152 1.00 . A A . 33 MET HG2 1 1 20 11694 1 1 33 MET HG3 H 9.139 -3.662 -9.335 1.00 . A A . 33 MET HG3 1 1 20 11695 1 1 33 MET N N 8.869 -4.333 -5.336 1.00 . A A . 33 MET N 1 1 20 11696 1 1 33 MET O O 11.043 -5.602 -6.462 1.00 . A A . 33 MET O 1 1 20 11697 1 1 33 MET SD S 7.060 -2.596 -8.808 1.00 . A A . 33 MET SD 1 1 20 11698 1 1 34 THR C C 11.898 -6.507 -9.525 1.00 . A A . 34 THR C 1 1 20 11699 1 1 34 THR CA C 10.736 -7.157 -8.761 1.00 . A A . 34 THR CA 1 1 20 11700 1 1 34 THR CB C 9.964 -8.138 -9.656 1.00 . A A . 34 THR CB 1 1 20 11701 1 1 34 THR CG2 C 9.025 -8.988 -8.796 1.00 . A A . 34 THR CG2 1 1 20 11702 1 1 34 THR H H 8.989 -5.946 -8.824 1.00 . A A . 34 THR H 1 1 20 11703 1 1 34 THR HA H 11.140 -7.701 -7.906 1.00 . A A . 34 THR HA 1 1 20 11704 1 1 34 THR HB H 10.668 -8.791 -10.173 1.00 . A A . 34 THR HB 1 1 20 11705 1 1 34 THR HG1 H 8.332 -7.254 -10.240 1.00 . A A . 34 THR HG1 1 1 20 11706 1 1 34 THR HG21 H 8.319 -8.342 -8.273 1.00 . A A . 34 THR HG21 1 1 20 11707 1 1 34 THR HG22 H 8.478 -9.682 -9.435 1.00 . A A . 34 THR HG22 1 1 20 11708 1 1 34 THR HG23 H 9.609 -9.552 -8.067 1.00 . A A . 34 THR HG23 1 1 20 11709 1 1 34 THR N N 9.820 -6.129 -8.284 1.00 . A A . 34 THR N 1 1 20 11710 1 1 34 THR O O 12.210 -6.907 -10.645 1.00 . A A . 34 THR O 1 1 20 11711 1 1 34 THR OG1 O 9.204 -7.418 -10.606 1.00 . A A . 34 THR OG1 1 1 20 11712 1 1 35 LEU C C 13.276 -4.260 -10.898 1.00 . A A . 35 LEU C 1 1 20 11713 1 1 35 LEU CA C 13.658 -4.784 -9.506 1.00 . A A . 35 LEU CA 1 1 20 11714 1 1 35 LEU CB C 14.874 -5.723 -9.577 1.00 . A A . 35 LEU CB 1 1 20 11715 1 1 35 LEU CD1 C 16.573 -4.519 -8.170 1.00 . A A . 35 LEU CD1 1 1 20 11716 1 1 35 LEU CD2 C 17.293 -5.744 -10.224 1.00 . A A . 35 LEU CD2 1 1 20 11717 1 1 35 LEU CG C 16.177 -4.906 -9.599 1.00 . A A . 35 LEU CG 1 1 20 11718 1 1 35 LEU H H 12.236 -5.220 -7.980 1.00 . A A . 35 LEU H 1 1 20 11719 1 1 35 LEU HA H 13.904 -3.935 -8.870 1.00 . A A . 35 LEU HA 1 1 20 11720 1 1 35 LEU HB2 H 14.878 -6.380 -8.707 1.00 . A A . 35 LEU HB2 1 1 20 11721 1 1 35 LEU HB3 H 14.811 -6.328 -10.482 1.00 . A A . 35 LEU HB3 1 1 20 11722 1 1 35 LEU HD11 H 16.722 -5.421 -7.576 1.00 . A A . 35 LEU HD11 1 1 20 11723 1 1 35 LEU HD12 H 17.499 -3.944 -8.193 1.00 . A A . 35 LEU HD12 1 1 20 11724 1 1 35 LEU HD13 H 15.785 -3.916 -7.722 1.00 . A A . 35 LEU HD13 1 1 20 11725 1 1 35 LEU HD21 H 17.421 -6.665 -9.653 1.00 . A A . 35 LEU HD21 1 1 20 11726 1 1 35 LEU HD22 H 17.033 -5.990 -11.254 1.00 . A A . 35 LEU HD22 1 1 20 11727 1 1 35 LEU HD23 H 18.224 -5.178 -10.212 1.00 . A A . 35 LEU HD23 1 1 20 11728 1 1 35 LEU HG H 16.032 -4.002 -10.191 1.00 . A A . 35 LEU HG 1 1 20 11729 1 1 35 LEU N N 12.536 -5.501 -8.904 1.00 . A A . 35 LEU N 1 1 20 11730 1 1 35 LEU O O 14.118 -4.193 -11.791 1.00 . A A . 35 LEU O 1 1 20 11731 1 1 36 LYS C C 11.545 -1.854 -12.353 1.00 . A A . 36 LYS C 1 1 20 11732 1 1 36 LYS CA C 11.510 -3.381 -12.350 1.00 . A A . 36 LYS CA 1 1 20 11733 1 1 36 LYS CB C 10.082 -3.895 -12.583 1.00 . A A . 36 LYS CB 1 1 20 11734 1 1 36 LYS CD C 8.668 -2.212 -13.816 1.00 . A A . 36 LYS CD 1 1 20 11735 1 1 36 LYS CE C 8.679 -1.397 -15.114 1.00 . A A . 36 LYS CE 1 1 20 11736 1 1 36 LYS CG C 9.580 -3.440 -13.962 1.00 . A A . 36 LYS CG 1 1 20 11737 1 1 36 LYS H H 11.348 -3.961 -10.309 1.00 . A A . 36 LYS H 1 1 20 11738 1 1 36 LYS HA H 12.150 -3.751 -13.151 1.00 . A A . 36 LYS HA 1 1 20 11739 1 1 36 LYS HB2 H 10.085 -4.985 -12.544 1.00 . A A . 36 LYS HB2 1 1 20 11740 1 1 36 LYS HB3 H 9.424 -3.509 -11.807 1.00 . A A . 36 LYS HB3 1 1 20 11741 1 1 36 LYS HD2 H 7.650 -2.543 -13.605 1.00 . A A . 36 LYS HD2 1 1 20 11742 1 1 36 LYS HD3 H 9.017 -1.588 -12.995 1.00 . A A . 36 LYS HD3 1 1 20 11743 1 1 36 LYS HE2 H 8.633 -2.077 -15.965 1.00 . A A . 36 LYS HE2 1 1 20 11744 1 1 36 LYS HE3 H 7.804 -0.744 -15.133 1.00 . A A . 36 LYS HE3 1 1 20 11745 1 1 36 LYS HG2 H 10.431 -3.192 -14.595 1.00 . A A . 36 LYS HG2 1 1 20 11746 1 1 36 LYS HG3 H 9.015 -4.251 -14.424 1.00 . A A . 36 LYS HG3 1 1 20 11747 1 1 36 LYS HZ1 H 10.715 -1.149 -15.065 1.00 . A A . 36 LYS HZ1 1 1 20 11748 1 1 36 LYS HZ2 H 9.946 -0.151 -16.133 1.00 . A A . 36 LYS HZ2 1 1 20 11749 1 1 36 LYS HZ3 H 9.873 0.160 -14.512 1.00 . A A . 36 LYS HZ3 1 1 20 11750 1 1 36 LYS N N 12.000 -3.889 -11.076 1.00 . A A . 36 LYS N 1 1 20 11751 1 1 36 LYS NZ N 9.898 -0.570 -15.216 1.00 . A A . 36 LYS NZ 1 1 20 11752 1 1 36 LYS O O 11.842 -1.250 -13.382 1.00 . A A . 36 LYS O 1 1 20 11753 1 1 37 PHE C C 10.160 0.815 -11.993 1.00 . A A . 37 PHE C 1 1 20 11754 1 1 37 PHE CA C 11.205 0.213 -11.050 1.00 . A A . 37 PHE CA 1 1 20 11755 1 1 37 PHE CB C 12.601 0.796 -11.312 1.00 . A A . 37 PHE CB 1 1 20 11756 1 1 37 PHE CD1 C 12.910 2.597 -9.563 1.00 . A A . 37 PHE CD1 1 1 20 11757 1 1 37 PHE CD2 C 12.637 3.263 -11.891 1.00 . A A . 37 PHE CD2 1 1 20 11758 1 1 37 PHE CE1 C 13.018 3.948 -9.191 1.00 . A A . 37 PHE CE1 1 1 20 11759 1 1 37 PHE CE2 C 12.744 4.613 -11.517 1.00 . A A . 37 PHE CE2 1 1 20 11760 1 1 37 PHE CG C 12.720 2.252 -10.914 1.00 . A A . 37 PHE CG 1 1 20 11761 1 1 37 PHE CZ C 12.936 4.955 -10.167 1.00 . A A . 37 PHE CZ 1 1 20 11762 1 1 37 PHE H H 11.004 -1.800 -10.391 1.00 . A A . 37 PHE H 1 1 20 11763 1 1 37 PHE HA H 10.922 0.447 -10.023 1.00 . A A . 37 PHE HA 1 1 20 11764 1 1 37 PHE HB2 H 13.333 0.220 -10.746 1.00 . A A . 37 PHE HB2 1 1 20 11765 1 1 37 PHE HB3 H 12.833 0.705 -12.374 1.00 . A A . 37 PHE HB3 1 1 20 11766 1 1 37 PHE HD1 H 12.973 1.825 -8.811 1.00 . A A . 37 PHE HD1 1 1 20 11767 1 1 37 PHE HD2 H 12.489 3.000 -12.928 1.00 . A A . 37 PHE HD2 1 1 20 11768 1 1 37 PHE HE1 H 13.165 4.212 -8.153 1.00 . A A . 37 PHE HE1 1 1 20 11769 1 1 37 PHE HE2 H 12.681 5.388 -12.267 1.00 . A A . 37 PHE HE2 1 1 20 11770 1 1 37 PHE HZ H 13.018 5.994 -9.880 1.00 . A A . 37 PHE HZ 1 1 20 11771 1 1 37 PHE N N 11.233 -1.241 -11.198 1.00 . A A . 37 PHE N 1 1 20 11772 1 1 37 PHE O O 10.464 1.159 -13.135 1.00 . A A . 37 PHE O 1 1 20 11773 1 1 38 GLY C C 6.607 1.711 -11.419 1.00 . A A . 38 GLY C 1 1 20 11774 1 1 38 GLY CA C 7.833 1.491 -12.300 1.00 . A A . 38 GLY CA 1 1 20 11775 1 1 38 GLY H H 8.715 0.641 -10.566 1.00 . A A . 38 GLY H 1 1 20 11776 1 1 38 GLY HA2 H 8.146 2.444 -12.729 1.00 . A A . 38 GLY HA2 1 1 20 11777 1 1 38 GLY HA3 H 7.581 0.799 -13.103 1.00 . A A . 38 GLY HA3 1 1 20 11778 1 1 38 GLY N N 8.920 0.937 -11.511 1.00 . A A . 38 GLY N 1 1 20 11779 1 1 38 GLY O O 6.703 1.361 -10.219 1.00 . A A . 38 GLY O 1 1 20 11780 1 1 38 GLY OXT O 5.706 2.440 -11.885 1.00 . A A . 38 GLY OXT 1 1 stop_ save_
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