NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
587161 | 2mv1 | 25238 | cing | 4-filtered-FRED | STAR | entry | full | 465 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2mv1 # This FRED archive file contains, for PDB entry <2mv1>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396. save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.PDB_coordinate_file_version . _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_2mv1 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2mv1 _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 5964.00 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 $Relaxin_B_chain A . 1 1 2 . 2 $Relaxin_A_chain B . 1 1 stop_ save_ save_Relaxin_B_chain _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Relaxin B chain" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code DSWMEEVIKLCGRELVRAQIAICGMSTWSX _Entity.Number_of_monomers 30 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 ASP . 1 1 2 SER . 1 1 3 TRP . 1 1 4 MET . 1 1 5 GLU . 1 1 6 GLU . 1 1 7 VAL . 1 1 8 ILE . 1 1 9 LYS . 1 1 10 LEU . 1 1 11 CYS . 1 1 12 GLY . 1 1 13 ARG . 1 1 14 GLU . 1 1 15 LEU . 1 1 16 VAL . 1 1 17 ARG . 1 1 18 ALA . 1 1 19 GLN . 1 1 20 ILE . 1 1 21 ALA . 1 1 22 ILE . 1 1 23 CYS . 1 1 24 GLY . 1 1 25 MET . 1 1 26 SER . 1 1 27 THR . 1 1 28 TRP . 1 1 29 SER . 1 1 30 NH2 $NH2 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID ASP 1 1 1 1 SER 2 2 1 1 TRP 3 3 1 1 MET 4 4 1 1 GLU 5 5 1 1 GLU 6 6 1 1 VAL 7 7 1 1 ILE 8 8 1 1 LYS 9 9 1 1 LEU 10 10 1 1 CYS 11 11 1 1 GLY 12 12 1 1 ARG 13 13 1 1 GLU 14 14 1 1 LEU 15 15 1 1 VAL 16 16 1 1 ARG 17 17 1 1 ALA 18 18 1 1 GLN 19 19 1 1 ILE 20 20 1 1 ALA 21 21 1 1 ILE 22 22 1 1 CYS 23 23 1 1 GLY 24 24 1 1 MET 25 25 1 1 SER 26 26 1 1 THR 27 27 1 1 TRP 28 28 1 1 SER 29 29 1 1 NH2 30 30 1 1 stop_ save_ save_Relaxin_A_chain _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 2 _Entity.Name "Relaxin A chain" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code XLYSALANKCCHVGCTKRSLARFCX _Entity.Number_of_monomers 25 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 PCA $PCA 1 2 2 LEU . 1 2 3 TYR . 1 2 4 SER . 1 2 5 ALA . 1 2 6 LEU . 1 2 7 ALA . 1 2 8 ASN . 1 2 9 LYS . 1 2 10 CYS . 1 2 11 CYS . 1 2 12 HIS . 1 2 13 VAL . 1 2 14 GLY . 1 2 15 CYS . 1 2 16 THR . 1 2 17 LYS . 1 2 18 ARG . 1 2 19 SER . 1 2 20 LEU . 1 2 21 ALA . 1 2 22 ARG . 1 2 23 PHE . 1 2 24 CYS . 1 2 25 NH2 $NH2 1 2 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 PCA 1 1 1 2 LEU 2 2 1 2 TYR 3 3 1 2 SER 4 4 1 2 ALA 5 5 1 2 LEU 6 6 1 2 ALA 7 7 1 2 ASN 8 8 1 2 LYS 9 9 1 2 CYS 10 10 1 2 CYS 11 11 1 2 HIS 12 12 1 2 VAL 13 13 1 2 GLY 14 14 1 2 CYS 15 15 1 2 THR 16 16 1 2 LYS 17 17 1 2 ARG 18 18 1 2 SER 19 19 1 2 LEU 20 20 1 2 ALA 21 21 1 2 ARG 22 22 1 2 PHE 23 23 1 2 CYS 24 24 1 2 NH2 25 25 1 2 stop_ save_ save_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID NH2 _Chem_comp.Type non-polymer save_ save_PCA _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID PCA _Chem_comp.Type non-polymer save_ save_CNS/XPLOR_distance_constraints_4_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 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 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 2 2 12 HIS HB3 A 12 . HB1 1 1 1 1 2 2 2 13 VAL H A 13 . HN 1 1 2 1 1 2 2 8 ASN HA A 8 . HA 1 1 2 1 2 2 2 9 LYS H A 9 . HN 1 1 3 1 1 1 1 26 SER HB3 B 26 . HB1 1 1 3 1 2 1 1 27 THR H B 27 . HN 1 1 4 1 1 1 1 26 SER HB2 B 26 . HB2 1 1 4 1 2 1 1 27 THR H B 27 . HN 1 1 5 1 1 2 2 6 LEU HA A 6 . HA 1 1 5 1 2 2 2 7 ALA H A 7 . HN 1 1 6 1 1 1 1 15 LEU HA B 15 . HA 1 1 6 1 2 1 1 16 VAL H B 16 . HN 1 1 7 1 1 1 1 2 SER H B 2 . HN 1 1 7 1 2 1 1 3 TRP H B 3 . HN 1 1 8 1 1 1 1 2 SER HB2 B 2 . HB2 1 1 8 1 2 1 1 3 TRP H B 3 . HN 1 1 9 1 1 1 1 2 SER HB3 B 2 . HB1 1 1 9 1 2 1 1 3 TRP H B 3 . HN 1 1 10 1 1 1 1 2 SER HA B 2 . HA 1 1 10 1 2 1 1 3 TRP H B 3 . HN 1 1 11 1 1 1 1 1 ASP HB3 B 1 . HB1 1 1 11 1 2 1 1 2 SER H B 2 . HN 1 1 12 1 1 1 1 1 ASP HB2 B 1 . HB2 1 1 12 1 2 1 1 2 SER H B 2 . HN 1 1 13 1 1 1 1 1 ASP HA B 1 . HA 1 1 13 1 2 1 1 2 SER H B 2 . HN 1 1 14 1 1 2 2 12 HIS HB2 A 12 . HB2 1 1 14 1 2 2 2 13 VAL H A 13 . HN 1 1 15 1 1 2 2 12 HIS HA A 12 . HA 1 1 15 1 2 2 2 13 VAL H A 13 . HN 1 1 16 1 1 2 2 13 VAL HB A 13 . HB 1 1 16 1 2 2 2 14 GLY H A 14 . HN 1 1 17 1 1 2 2 13 VAL HA A 13 . HA 1 1 17 1 2 2 2 14 GLY H A 14 . HN 1 1 18 1 1 2 2 13 VAL H A 13 . HN 1 1 18 1 2 2 2 14 GLY H A 14 . HN 1 1 19 1 1 2 2 12 HIS H A 12 . HN 1 1 19 1 2 2 2 13 VAL H A 13 . HN 1 1 20 1 1 2 2 10 CYS HA A 10 . HA 1 1 20 1 2 2 2 14 GLY H A 14 . HN 1 1 21 1 1 2 2 10 CYS HA A 10 . HA 1 1 21 1 2 2 2 13 VAL H A 13 . HN 1 1 22 1 1 2 2 9 LYS HA A 9 . HA 1 1 22 1 2 2 2 13 VAL H A 13 . HN 1 1 23 1 1 2 2 14 GLY HA2 A 14 . HA2 1 1 23 1 2 2 2 15 CYS H A 15 . HN 1 1 24 1 1 2 2 15 CYS HA A 15 . HA 1 1 24 1 2 2 2 16 THR H A 16 . HN 1 1 25 1 1 2 2 15 CYS HB2 A 15 . HB2 1 1 25 1 2 2 2 16 THR H A 16 . HN 1 1 26 1 1 2 2 15 CYS HB3 A 15 . HB1 1 1 26 1 2 2 2 16 THR H A 16 . HN 1 1 27 1 1 1 1 8 ILE H B 8 . HN 1 1 27 1 2 2 2 16 THR HA A 16 . HA 1 1 28 1 1 1 1 7 VAL HA B 7 . HA 1 1 28 1 2 1 1 8 ILE H B 8 . HN 1 1 29 1 1 1 1 8 ILE HB B 8 . HB 1 1 29 1 2 1 1 9 LYS H B 9 . HN 1 1 30 1 1 1 1 8 ILE HA B 8 . HA 1 1 30 1 2 1 1 9 LYS H B 9 . HN 1 1 31 1 1 1 1 8 ILE H B 8 . HN 1 1 31 1 2 1 1 9 LYS H B 9 . HN 1 1 32 1 1 2 2 11 CYS HB3 A 11 . HB1 1 1 32 1 2 2 2 12 HIS H A 12 . HN 1 1 33 1 1 2 2 11 CYS HB2 A 11 . HB2 1 1 33 1 2 2 2 12 HIS H A 12 . HN 1 1 34 1 1 2 2 11 CYS HA A 11 . HA 1 1 34 1 2 2 2 12 HIS H A 12 . HN 1 1 35 1 1 2 2 11 CYS H A 11 . HN 1 1 35 1 2 2 2 12 HIS H A 12 . HN 1 1 36 1 1 2 2 10 CYS HB2 A 10 . HB2 1 1 36 1 2 2 2 11 CYS H A 11 . HN 1 1 37 1 1 2 2 14 GLY HA3 A 14 . HA1 1 1 37 1 2 2 2 15 CYS H A 15 . HN 1 1 38 1 1 2 2 10 CYS HA A 10 . HA 1 1 38 1 2 2 2 11 CYS H A 11 . HN 1 1 39 1 1 2 2 10 CYS H A 10 . HN 1 1 39 1 2 2 2 11 CYS H A 11 . HN 1 1 40 1 1 1 1 8 ILE H B 8 . HN 1 1 40 1 2 2 2 15 CYS H A 15 . HN 1 1 41 1 1 2 2 8 ASN QB A 8 . HB# 1 1 41 1 2 2 2 9 LYS H A 9 . HN 1 1 42 1 1 2 2 9 LYS HB2 A 9 . HB2 1 1 42 1 2 2 2 10 CYS H A 10 . HN 1 1 43 1 1 2 2 9 LYS HA A 9 . HA 1 1 43 1 2 2 2 10 CYS H A 10 . HN 1 1 44 1 1 2 2 7 ALA H A 7 . HN 1 1 44 1 2 2 2 8 ASN H A 8 . HN 1 1 45 1 1 2 2 6 LEU H A 6 . HN 1 1 45 1 2 2 2 7 ALA H A 7 . HN 1 1 46 1 1 2 2 8 ASN H A 8 . HN 1 1 46 1 2 2 2 9 LYS H A 9 . HN 1 1 47 1 1 2 2 6 LEU QB A 6 . HB# 1 1 47 1 2 2 2 7 ALA H A 7 . HN 1 1 48 1 1 1 1 26 SER H B 26 . HN 1 1 48 1 2 1 1 27 THR H B 27 . HN 1 1 49 1 1 1 1 26 SER HA B 26 . HA 1 1 49 1 2 1 1 27 THR H B 27 . HN 1 1 50 1 1 1 1 25 MET HA B 25 . HA 1 1 50 1 2 1 1 26 SER H B 26 . HN 1 1 51 1 1 2 2 5 ALA HA A 5 . HA 1 1 51 1 2 2 2 6 LEU H A 6 . HN 1 1 52 1 1 1 1 27 THR H B 27 . HN 1 1 52 1 2 1 1 28 TRP H B 28 . HN 1 1 53 1 1 1 1 27 THR HB B 27 . HB 1 1 53 1 2 1 1 28 TRP H B 28 . HN 1 1 54 1 1 1 1 27 THR HA B 27 . HA 1 1 54 1 2 1 1 28 TRP H B 28 . HN 1 1 55 1 1 1 1 11 CYS HA B 11 . HA 1 1 55 1 2 1 1 12 GLY H B 12 . HN 1 1 56 1 1 1 1 10 LEU HA B 10 . HA 1 1 56 1 2 1 1 11 CYS H B 11 . HN 1 1 57 1 1 1 1 12 GLY HA3 B 12 . HA1 1 1 57 1 2 1 1 13 ARG H B 13 . HN 1 1 58 1 1 1 1 12 GLY HA2 B 12 . HA2 1 1 58 1 2 1 1 13 ARG H B 13 . HN 1 1 59 1 1 1 1 13 ARG H B 13 . HN 1 1 59 1 2 1 1 14 GLU H B 14 . HN 1 1 60 1 1 1 1 10 LEU H B 10 . HN 1 1 60 1 2 1 1 11 CYS H B 11 . HN 1 1 61 1 1 1 1 13 ARG QB B 13 . HB# 1 1 61 1 2 1 1 14 GLU H B 14 . HN 1 1 62 1 1 1 1 6 GLU H B 6 . HN 1 1 62 1 2 1 1 7 VAL H B 7 . HN 1 1 63 1 1 1 1 6 GLU HA B 6 . HA 1 1 63 1 2 1 1 7 VAL H B 7 . HN 1 1 64 1 1 1 1 6 GLU HB2 B 6 . HB2 1 1 64 1 2 1 1 7 VAL H B 7 . HN 1 1 65 1 1 1 1 6 GLU HB3 B 6 . HB1 1 1 65 1 2 1 1 7 VAL H B 7 . HN 1 1 66 1 1 1 1 5 GLU HA B 5 . HA 1 1 66 1 2 1 1 6 GLU H B 6 . HN 1 1 67 1 1 1 1 7 VAL HA B 7 . HA 1 1 67 1 2 2 2 16 THR HA A 16 . HA 1 1 68 1 1 1 1 9 LYS HA B 9 . HA 1 1 68 1 2 2 2 14 GLY HA2 A 14 . HA2 1 1 69 1 1 1 1 9 LYS HB2 B 9 . HB2 1 1 69 1 2 1 1 10 LEU H B 10 . HN 1 1 70 1 1 1 1 9 LYS HA B 9 . HA 1 1 70 1 2 2 2 14 GLY HA3 A 14 . HA1 1 1 71 1 1 1 1 14 GLU HA B 14 . HA 1 1 71 1 2 1 1 15 LEU H B 15 . HN 1 1 72 1 1 1 1 14 GLU HB2 B 14 . HB2 1 1 72 1 2 1 1 15 LEU H B 15 . HN 1 1 73 1 1 1 1 14 GLU HB3 B 14 . HB1 1 1 73 1 2 1 1 15 LEU H B 15 . HN 1 1 74 1 1 1 1 14 GLU H B 14 . HN 1 1 74 1 2 1 1 15 LEU H B 15 . HN 1 1 75 1 1 1 1 25 MET H B 25 . HN 1 1 75 1 2 1 1 26 SER H B 26 . HN 1 1 76 1 1 1 1 15 LEU H B 15 . HN 1 1 76 1 2 1 1 16 VAL H B 16 . HN 1 1 77 1 1 1 1 17 ARG HA B 17 . HA 1 1 77 1 2 1 1 18 ALA H B 18 . HN 1 1 78 1 1 2 2 21 ALA H A 21 . HN 1 1 78 1 2 2 2 22 ARG H A 22 . HN 1 1 79 1 1 2 2 21 ALA HA A 21 . HA 1 1 79 1 2 2 2 23 PHE H A 23 . HN 1 1 80 1 1 2 2 21 ALA HA A 21 . HA 1 1 80 1 2 2 2 22 ARG H A 22 . HN 1 1 81 1 1 2 2 18 ARG HA A 18 . HA 1 1 81 1 2 2 2 21 ALA H A 21 . HN 1 1 82 1 1 2 2 16 THR HB A 16 . HB 1 1 82 1 2 2 2 19 SER H A 19 . HN 1 1 83 1 1 2 2 18 ARG HA A 18 . HA 1 1 83 1 2 2 2 19 SER H A 19 . HN 1 1 84 1 1 1 1 19 GLN HB3 B 19 . HB1 1 1 84 1 2 1 1 20 ILE H B 20 . HN 1 1 85 1 1 2 2 1 PCA HA A 1 . HA 1 1 85 1 2 2 2 2 LEU H A 2 . HN 1 1 86 1 1 2 2 16 THR HA A 16 . HA 1 1 86 1 2 2 2 17 LYS H A 17 . HN 1 1 87 1 1 2 2 19 SER H A 19 . HN 1 1 87 1 2 2 2 20 LEU H A 20 . HN 1 1 88 1 1 2 2 18 ARG H A 18 . HN 1 1 88 1 2 2 2 19 SER H A 19 . HN 1 1 89 1 1 2 2 19 SER HB2 A 19 . HB2 1 1 89 1 2 2 2 20 LEU H A 20 . HN 1 1 90 1 1 2 2 19 SER HB3 A 19 . HB1 1 1 90 1 2 2 2 20 LEU H A 20 . HN 1 1 91 1 1 1 1 11 CYS H B 11 . HN 1 1 91 1 2 1 1 14 GLU HB2 B 14 . HB2 1 1 92 1 1 1 1 11 CYS H B 11 . HN 1 1 92 1 2 1 1 14 GLU HB3 B 14 . HB1 1 1 93 1 1 1 1 23 CYS HB3 B 23 . HB1 1 1 93 1 2 1 1 24 GLY H B 24 . HN 1 1 94 1 1 1 1 24 GLY HA3 B 24 . HA1 1 1 94 1 2 1 1 25 MET H B 25 . HN 1 1 95 1 1 1 1 24 GLY HA2 B 24 . HA2 1 1 95 1 2 1 1 25 MET H B 25 . HN 1 1 96 1 1 1 1 24 GLY H B 24 . HN 1 1 96 1 2 1 1 25 MET H B 25 . HN 1 1 97 1 1 1 1 23 CYS H B 23 . HN 1 1 97 1 2 1 1 24 GLY H B 24 . HN 1 1 98 1 1 1 1 25 MET QB B 25 . HB# 1 1 98 1 2 1 1 26 SER H B 26 . HN 1 1 99 1 1 1 1 15 LEU QB B 15 . HB# 1 1 99 1 2 1 1 16 VAL H B 16 . HN 1 1 100 1 1 2 2 16 THR HB A 16 . HB 1 1 100 1 2 2 2 17 LYS H A 17 . HN 1 1 101 1 1 1 1 18 ALA H B 18 . HN 1 1 101 1 2 1 1 19 GLN H B 19 . HN 1 1 102 1 1 1 1 18 ALA HA B 18 . HA 1 1 102 1 2 1 1 19 GLN H B 19 . HN 1 1 103 1 1 2 2 9 LYS HA A 9 . HA 1 1 103 1 2 2 2 12 HIS H A 12 . HN 1 1 104 1 1 2 2 17 LYS HA A 17 . HA 1 1 104 1 2 2 2 18 ARG H A 18 . HN 1 1 105 1 1 2 2 7 ALA HA A 7 . HA 1 1 105 1 2 2 2 10 CYS HB3 A 10 . HB1 1 1 106 1 1 2 2 6 LEU HA A 6 . HA 1 1 106 1 2 2 2 9 LYS HB3 A 9 . HB1 1 1 107 1 1 2 2 6 LEU HA A 6 . HA 1 1 107 1 2 2 2 9 LYS HB2 A 9 . HB2 1 1 108 1 1 2 2 18 ARG HB2 A 18 . HB2 1 1 108 1 2 2 2 19 SER H A 19 . HN 1 1 109 1 1 2 2 18 ARG HB3 A 18 . HB1 1 1 109 1 2 2 2 19 SER H A 19 . HN 1 1 110 1 1 2 2 16 THR H A 16 . HN 1 1 110 1 2 2 2 17 LYS H A 17 . HN 1 1 111 1 1 2 2 17 LYS HB2 A 17 . HB2 1 1 111 1 2 2 2 18 ARG H A 18 . HN 1 1 112 1 1 2 2 17 LYS HA A 17 . HA 1 1 112 1 2 2 2 20 LEU HB2 A 20 . HB2 1 1 113 1 1 2 2 17 LYS HA A 17 . HA 1 1 113 1 2 2 2 20 LEU HB3 A 20 . HB1 1 1 114 1 1 2 2 17 LYS HA A 17 . HA 1 1 114 1 2 2 2 21 ALA H A 21 . HN 1 1 115 1 1 2 2 20 LEU HB2 A 20 . HB2 1 1 115 1 2 2 2 21 ALA H A 21 . HN 1 1 116 1 1 2 2 20 LEU HB3 A 20 . HB1 1 1 116 1 2 2 2 21 ALA H A 21 . HN 1 1 117 1 1 1 1 19 GLN HB2 B 19 . HB2 1 1 117 1 2 1 1 20 ILE H B 20 . HN 1 1 118 1 1 2 2 20 LEU HA A 20 . HA 1 1 118 1 2 2 2 21 ALA H A 21 . HN 1 1 119 1 1 2 2 22 ARG HA A 22 . HA 1 1 119 1 2 2 2 23 PHE H A 23 . HN 1 1 120 1 1 2 2 12 HIS H A 12 . HN 1 1 120 1 2 2 2 14 GLY H A 14 . HN 1 1 121 1 1 2 2 19 SER H A 19 . HN 1 1 121 1 2 2 2 21 ALA H A 21 . HN 1 1 122 1 1 2 2 9 LYS HA A 9 . HA 1 1 122 1 2 2 2 12 HIS HB2 A 12 . HB2 1 1 123 1 1 2 2 9 LYS HA A 9 . HA 1 1 123 1 2 2 2 12 HIS HB3 A 12 . HB1 1 1 124 1 1 1 1 13 ARG HA B 13 . HA 1 1 124 1 2 1 1 14 GLU H B 14 . HN 1 1 125 1 1 2 2 5 ALA HA A 5 . HA 1 1 125 1 2 2 2 8 ASN H A 8 . HN 1 1 126 1 1 2 2 4 SER QB A 4 . HB# 1 1 126 1 2 2 2 8 ASN H A 8 . HN 1 1 127 1 1 2 2 5 ALA HA A 5 . HA 1 1 127 1 2 2 2 8 ASN QB A 8 . HB# 1 1 128 1 1 2 2 4 SER HA A 4 . HA 1 1 128 1 2 2 2 8 ASN H A 8 . HN 1 1 129 1 1 2 2 20 LEU H A 20 . HN 1 1 129 1 2 2 2 21 ALA H A 21 . HN 1 1 130 1 1 1 1 11 CYS HB3 B 11 . HB1 1 1 130 1 2 1 1 12 GLY H B 12 . HN 1 1 131 1 1 1 1 11 CYS HB2 B 11 . HB2 1 1 131 1 2 1 1 12 GLY H B 12 . HN 1 1 132 1 1 1 1 12 GLY H B 12 . HN 1 1 132 1 2 1 1 13 ARG H B 13 . HN 1 1 133 1 1 2 2 16 THR HA A 16 . HA 1 1 133 1 2 2 2 19 SER HB3 A 19 . HB1 1 1 134 1 1 1 1 3 TRP H B 3 . HN 1 1 134 1 2 1 1 5 GLU H B 5 . HN 1 1 135 1 1 1 1 11 CYS H B 11 . HN 1 1 135 1 2 1 1 14 GLU H B 14 . HN 1 1 136 1 1 1 1 23 CYS HA B 23 . HA 1 1 136 1 2 1 1 24 GLY H B 24 . HN 1 1 137 1 1 2 2 10 CYS HA A 10 . HA 1 1 137 1 2 2 2 14 GLY HA3 A 14 . HA1 1 1 138 1 1 2 2 19 SER HA A 19 . HA 1 1 138 1 2 2 2 22 ARG QB A 22 . HB# 1 1 139 1 1 1 1 22 ILE HA B 22 . HA 1 1 139 1 2 1 1 25 MET QB B 25 . HB# 1 1 140 1 1 1 1 17 ARG HB2 B 17 . HB2 1 1 140 1 2 1 1 18 ALA H B 18 . HN 1 1 141 1 1 1 1 16 VAL HA B 16 . HA 1 1 141 1 2 1 1 19 GLN HB3 B 19 . HB1 1 1 142 1 1 2 2 22 ARG H A 22 . HN 1 1 142 1 2 2 2 23 PHE H A 23 . HN 1 1 143 1 1 2 2 3 TYR HA A 3 . HA 1 1 143 1 2 2 2 4 SER H A 4 . HN 1 1 144 1 1 2 2 3 TYR HB2 A 3 . HB2 1 1 144 1 2 2 2 4 SER H A 4 . HN 1 1 145 1 1 2 2 3 TYR HB3 A 3 . HB1 1 1 145 1 2 2 2 4 SER H A 4 . HN 1 1 146 1 1 1 1 10 LEU HB2 B 10 . HB2 1 1 146 1 2 1 1 11 CYS H B 11 . HN 1 1 147 1 1 1 1 10 LEU HB3 B 10 . HB1 1 1 147 1 2 1 1 11 CYS H B 11 . HN 1 1 148 1 1 1 1 16 VAL H B 16 . HN 1 1 148 1 2 1 1 17 ARG H B 17 . HN 1 1 149 1 1 2 2 12 HIS HB2 A 12 . HB2 1 1 149 1 2 2 2 13 VAL HA A 13 . HA 1 1 150 1 1 1 1 28 TRP HA B 28 . HA 1 1 150 1 2 1 1 29 SER H B 29 . HN 1 1 151 1 1 1 1 23 CYS HB2 B 23 . HB2 1 1 151 1 2 1 1 24 GLY H B 24 . HN 1 1 152 1 1 1 1 22 ILE HA B 22 . HA 1 1 152 1 2 1 1 23 CYS H B 23 . HN 1 1 153 1 1 1 1 22 ILE H B 22 . HN 1 1 153 1 2 1 1 23 CYS H B 23 . HN 1 1 154 1 1 1 1 20 ILE H B 20 . HN 1 1 154 1 2 1 1 21 ALA H B 21 . HN 1 1 155 1 1 1 1 21 ALA HA B 21 . HA 1 1 155 1 2 1 1 22 ILE H B 22 . HN 1 1 156 1 1 1 1 21 ALA H B 21 . HN 1 1 156 1 2 1 1 22 ILE H B 22 . HN 1 1 157 1 1 1 1 20 ILE HA B 20 . HA 1 1 157 1 2 1 1 21 ALA H B 21 . HN 1 1 158 1 1 1 1 20 ILE HB B 20 . HB 1 1 158 1 2 1 1 21 ALA H B 21 . HN 1 1 159 1 1 1 1 19 GLN H B 19 . HN 1 1 159 1 2 1 1 20 ILE H B 20 . HN 1 1 160 1 1 1 1 16 VAL HB B 16 . HB 1 1 160 1 2 1 1 17 ARG H B 17 . HN 1 1 161 1 1 1 1 16 VAL HA B 16 . HA 1 1 161 1 2 1 1 17 ARG H B 17 . HN 1 1 162 1 1 1 1 14 GLU HA B 14 . HA 1 1 162 1 2 1 1 17 ARG H B 17 . HN 1 1 163 1 1 1 1 17 ARG H B 17 . HN 1 1 163 1 2 1 1 18 ALA H B 18 . HN 1 1 164 1 1 1 1 13 ARG HA B 13 . HA 1 1 164 1 2 1 1 16 VAL H B 16 . HN 1 1 165 1 1 2 2 2 LEU HA A 2 . HA 1 1 165 1 2 2 2 3 TYR H A 3 . HN 1 1 166 1 1 2 2 3 TYR H A 3 . HN 1 1 166 1 2 2 2 4 SER H A 4 . HN 1 1 167 1 1 2 2 9 LYS H A 9 . HN 1 1 167 1 2 2 2 10 CYS H A 10 . HN 1 1 168 1 1 2 2 23 PHE HA A 23 . HA 1 1 168 1 2 2 2 24 CYS H A 24 . HN 1 1 169 1 1 2 2 23 PHE HB2 A 23 . HB2 1 1 169 1 2 2 2 24 CYS H A 24 . HN 1 1 170 1 1 2 2 23 PHE HB3 A 23 . HB1 1 1 170 1 2 2 2 24 CYS H A 24 . HN 1 1 171 1 1 2 2 23 PHE H A 23 . HN 1 1 171 1 2 2 2 24 CYS H A 24 . HN 1 1 172 1 1 2 2 17 LYS H A 17 . HN 1 1 172 1 2 2 2 18 ARG H A 18 . HN 1 1 173 1 1 2 2 20 LEU HA A 20 . HA 1 1 173 1 2 2 2 24 CYS H A 24 . HN 1 1 174 1 1 2 2 20 LEU HA A 20 . HA 1 1 174 1 2 2 2 22 ARG H A 22 . HN 1 1 175 1 1 1 1 20 ILE HA B 20 . HA 1 1 175 1 2 1 1 23 CYS H B 23 . HN 1 1 176 1 1 1 1 19 GLN HA B 19 . HA 1 1 176 1 2 1 1 23 CYS H B 23 . HN 1 1 177 1 1 2 2 5 ALA H A 5 . HN 1 1 177 1 2 2 2 6 LEU H A 6 . HN 1 1 178 1 1 2 2 4 SER H A 4 . HN 1 1 178 1 2 2 2 5 ALA H A 5 . HN 1 1 179 1 1 1 1 16 VAL HA B 16 . HA 1 1 179 1 2 1 1 19 GLN H B 19 . HN 1 1 180 1 1 2 2 16 THR HB A 16 . HB 1 1 180 1 2 2 2 18 ARG H A 18 . HN 1 1 181 1 1 2 2 22 ARG QB A 22 . HB# 1 1 181 1 2 2 2 23 PHE H A 23 . HN 1 1 182 1 1 1 1 9 LYS HA B 9 . HA 1 1 182 1 2 1 1 10 LEU H B 10 . HN 1 1 183 1 1 1 1 17 ARG HB3 B 17 . HB1 1 1 183 1 2 1 1 18 ALA H B 18 . HN 1 1 184 1 1 1 1 19 GLN HA B 19 . HA 1 1 184 1 2 1 1 20 ILE H B 20 . HN 1 1 185 1 1 1 1 19 GLN HA B 19 . HA 1 1 185 1 2 1 1 22 ILE HB B 22 . HB 1 1 186 1 1 2 2 17 LYS HB3 A 17 . HB1 1 1 186 1 2 2 2 18 ARG H A 18 . HN 1 1 187 1 1 1 1 13 ARG HA B 13 . HA 1 1 187 1 2 1 1 16 VAL HB B 16 . HB 1 1 188 1 1 2 2 16 THR HA A 16 . HA 1 1 188 1 2 2 2 18 ARG H A 18 . HN 1 1 189 1 1 1 1 14 GLU HA B 14 . HA 1 1 189 1 2 1 1 17 ARG HB2 B 17 . HB2 1 1 190 1 1 1 1 14 GLU HA B 14 . HA 1 1 190 1 2 1 1 17 ARG HB3 B 17 . HB1 1 1 191 1 1 2 2 6 LEU HG A 6 . HG 1 1 191 1 2 2 2 7 ALA H A 7 . HN 1 1 192 1 1 1 1 13 ARG QG B 13 . HG# 1 1 192 1 2 1 1 14 GLU H B 14 . HN 1 1 193 1 1 1 1 6 GLU HG2 B 6 . HG2 1 1 193 1 2 1 1 7 VAL H B 7 . HN 1 1 194 1 1 1 1 6 GLU HG3 B 6 . HG1 1 1 194 1 2 1 1 7 VAL H B 7 . HN 1 1 195 1 1 1 1 5 GLU QG B 5 . HG# 1 1 195 1 2 1 1 6 GLU H B 6 . HN 1 1 196 1 1 1 1 8 ILE HG13 B 8 . HG11 1 1 196 1 2 1 1 9 LYS H B 9 . HN 1 1 197 1 1 1 1 8 ILE HG12 B 8 . HG12 1 1 197 1 2 1 1 9 LYS H B 9 . HN 1 1 198 1 1 1 1 9 LYS QD B 9 . HD# 1 1 198 1 2 1 1 10 LEU H B 10 . HN 1 1 199 1 1 1 1 9 LYS HG2 B 9 . HG2 1 1 199 1 2 1 1 10 LEU H B 10 . HN 1 1 200 1 1 1 1 9 LYS HG3 B 9 . HG1 1 1 200 1 2 1 1 10 LEU H B 10 . HN 1 1 201 1 1 1 1 14 GLU HG3 B 14 . HG1 1 1 201 1 2 1 1 15 LEU H B 15 . HN 1 1 202 1 1 1 1 19 GLN QG B 19 . HG# 1 1 202 1 2 1 1 20 ILE H B 20 . HN 1 1 203 1 1 2 2 1 PCA HG3 A 1 . HG2 1 1 203 1 2 2 2 2 LEU H A 2 . HN 1 1 204 1 1 2 2 1 PCA HG2 A 1 . HG1 1 1 204 1 2 2 2 2 LEU H A 2 . HN 1 1 205 1 1 1 1 25 MET QG B 25 . HG# 1 1 205 1 2 1 1 26 SER H B 26 . HN 1 1 206 1 1 2 2 18 ARG QG A 18 . HG# 1 1 206 1 2 2 2 19 SER H A 19 . HN 1 1 207 1 1 2 2 20 LEU HG A 20 . HG 1 1 207 1 2 2 2 21 ALA H A 21 . HN 1 1 208 1 1 2 2 11 CYS HB3 A 11 . HB1 1 1 208 1 2 2 2 12 HIS HD2 A 12 . HD2 1 1 209 1 1 2 2 11 CYS HB2 A 11 . HB2 1 1 209 1 2 2 2 12 HIS HD2 A 12 . HD2 1 1 210 1 1 1 1 11 CYS HA B 11 . HA 1 1 210 1 2 2 2 11 CYS HB2 A 11 . HB2 1 1 211 1 1 2 2 9 LYS QE A 9 . HE# 1 1 211 1 2 2 2 15 CYS HA A 15 . HA 1 1 212 1 1 2 2 2 LEU HA A 2 . HA 1 1 212 1 2 2 2 3 TYR QE A 3 . HE# 1 1 213 1 1 2 2 3 TYR QE A 3 . HE# 1 1 213 1 2 2 2 6 LEU HG A 6 . HG 1 1 214 1 1 2 2 3 TYR QE A 3 . HE# 1 1 214 1 2 2 2 6 LEU QB A 6 . HB# 1 1 215 1 1 2 2 5 ALA HA A 5 . HA 1 1 215 1 2 2 2 8 ASN HD22 A 8 . HD22 1 1 216 1 1 1 1 3 TRP HE3 B 3 . HE3 1 1 216 1 2 2 2 17 LYS HB3 A 17 . HB1 1 1 217 1 1 2 2 3 TYR QE A 3 . HE# 1 1 217 1 2 2 2 23 PHE QE A 23 . HE# 1 1 218 1 1 1 1 19 GLN HA B 19 . HA 1 1 218 1 2 2 2 20 LEU HB2 A 20 . HB2 1 1 219 1 1 1 1 3 TRP HE3 B 3 . HE3 1 1 219 1 2 1 1 22 ILE HA B 22 . HA 1 1 220 1 1 1 1 12 GLY H B 12 . HN 1 1 220 1 2 2 2 11 CYS HB2 A 11 . HB2 1 1 221 1 1 1 1 6 GLU HB3 B 6 . HB1 1 1 221 1 2 2 2 17 LYS QE A 17 . HE# 1 1 222 1 1 1 1 3 TRP HZ2 B 3 . HZ2 1 1 222 1 2 1 1 25 MET QG B 25 . HG# 1 1 223 1 1 1 1 6 GLU HB2 B 6 . HB2 1 1 223 1 2 2 2 17 LYS QE A 17 . HE# 1 1 224 1 1 1 1 10 LEU HG B 10 . HG 1 1 224 1 2 1 1 11 CYS H B 11 . HN 1 1 225 1 1 1 1 9 LYS QE B 9 . HE# 1 1 225 1 2 2 2 12 HIS HA A 12 . HA 1 1 226 1 1 2 2 10 CYS HB3 A 10 . HB1 1 1 226 1 2 2 2 15 CYS HB3 A 15 . HB1 1 1 227 1 1 2 2 3 TYR HB3 A 3 . HB1 1 1 227 1 2 2 2 23 PHE QE A 23 . HE# 1 1 228 1 1 2 2 3 TYR HB3 A 3 . HB1 1 1 228 1 2 2 2 23 PHE QD A 23 . HD# 1 1 229 1 1 2 2 20 LEU HA A 20 . HA 1 1 229 1 2 2 2 23 PHE QD A 23 . HD# 1 1 230 1 1 2 2 8 ASN HA A 8 . HA 1 1 230 1 2 2 2 12 HIS HD2 A 12 . HD2 1 1 231 1 1 2 2 8 ASN QB A 8 . HB# 1 1 231 1 2 2 2 12 HIS HD2 A 12 . HD2 1 1 232 1 1 1 1 19 GLN HE22 B 19 . HE22 1 1 232 1 2 2 2 20 LEU HB3 A 20 . HB1 1 1 233 1 1 2 2 20 LEU HB3 A 20 . HB1 1 1 233 1 2 2 2 23 PHE QD A 23 . HD# 1 1 234 1 1 2 2 22 ARG HG2 A 22 . HG2 1 1 234 1 2 2 2 23 PHE H A 23 . HN 1 1 235 1 1 2 2 22 ARG HG3 A 22 . HG1 1 1 235 1 2 2 2 23 PHE H A 23 . HN 1 1 236 1 1 1 1 20 ILE QG B 20 . HG1# 1 1 236 1 2 1 1 21 ALA H B 21 . HN 1 1 237 1 1 1 1 1 ASP HA B 1 . HA 1 1 237 1 2 1 1 3 TRP HZ3 B 3 . HZ3 1 1 238 1 1 1 1 10 LEU HB2 B 10 . HB2 1 1 238 1 2 1 1 15 LEU HA B 15 . HA 1 1 239 1 1 1 1 10 LEU HB3 B 10 . HB1 1 1 239 1 2 1 1 15 LEU HA B 15 . HA 1 1 240 1 1 1 1 6 GLU HB3 B 6 . HB1 1 1 240 1 2 2 2 17 LYS HB3 A 17 . HB1 1 1 241 1 1 2 2 10 CYS HB2 A 10 . HB2 1 1 241 1 2 2 2 15 CYS HB3 A 15 . HB1 1 1 242 1 1 2 2 3 TYR QD A 3 . HD# 1 1 242 1 2 2 2 23 PHE QD A 23 . HD# 1 1 243 1 1 2 2 3 TYR QE A 3 . HE# 1 1 243 1 2 2 2 23 PHE QD A 23 . HD# 1 1 244 1 1 1 1 3 TRP HD1 B 3 . HD1 1 1 244 1 2 1 1 28 TRP HD1 B 28 . HD1 1 1 245 1 1 1 1 6 GLU HB2 B 6 . HB2 1 1 245 1 2 2 2 17 LYS HB3 A 17 . HB1 1 1 246 1 1 2 2 17 LYS HG2 A 17 . HG2 1 1 246 1 2 2 2 18 ARG H A 18 . HN 1 1 247 1 1 1 1 3 TRP HE3 B 3 . HE3 1 1 247 1 2 2 2 17 LYS HG2 A 17 . HG2 1 1 248 1 1 1 1 3 TRP HZ3 B 3 . HZ3 1 1 248 1 2 2 2 17 LYS HG2 A 17 . HG2 1 1 249 1 1 1 1 3 TRP HZ3 B 3 . HZ3 1 1 249 1 2 2 2 17 LYS HB3 A 17 . HB1 1 1 250 1 1 1 1 22 ILE QG B 22 . HG1# 1 1 250 1 2 1 1 23 CYS H B 23 . HN 1 1 251 1 1 1 1 6 GLU HB3 B 6 . HB1 1 1 251 1 2 2 2 17 LYS HG2 A 17 . HG2 1 1 252 1 1 1 1 19 GLN QG B 19 . HG# 1 1 252 1 2 2 2 3 TYR QE A 3 . HE# 1 1 253 1 1 2 2 13 VAL MG1 A 13 . HG1# 1 1 253 1 2 2 2 14 GLY H A 14 . HN 1 1 254 1 1 2 2 13 VAL MG2 A 13 . HG2# 1 1 254 1 2 2 2 14 GLY H A 14 . HN 1 1 255 1 1 1 1 7 VAL MG1 B 7 . HG1# 1 1 255 1 2 1 1 8 ILE H B 8 . HN 1 1 256 1 1 1 1 7 VAL MG2 B 7 . HG2# 1 1 256 1 2 1 1 8 ILE H B 8 . HN 1 1 257 1 1 1 1 8 ILE MG B 8 . HG2# 1 1 257 1 2 1 1 9 LYS H B 9 . HN 1 1 258 1 1 2 2 12 HIS H A 12 . HN 1 1 258 1 2 2 2 13 VAL MG1 A 13 . HG1# 1 1 259 1 1 2 2 12 HIS H A 12 . HN 1 1 259 1 2 2 2 13 VAL MG2 A 13 . HG2# 1 1 260 1 1 2 2 7 ALA MB A 7 . HB# 1 1 260 1 2 2 2 8 ASN H A 8 . HN 1 1 261 1 1 2 2 6 LEU MD2 A 6 . HD2# 1 1 261 1 2 2 2 7 ALA H A 7 . HN 1 1 262 1 1 2 2 5 ALA MB A 5 . HB# 1 1 262 1 2 2 2 6 LEU H A 6 . HN 1 1 263 1 1 1 1 27 THR MG B 27 . HG2# 1 1 263 1 2 1 1 28 TRP H B 28 . HN 1 1 264 1 1 1 1 8 ILE MD B 8 . HD1# 1 1 264 1 2 1 1 9 LYS H B 9 . HN 1 1 265 1 1 1 1 15 LEU HA B 15 . HA 1 1 265 1 2 1 1 18 ALA MB B 18 . HB# 1 1 266 1 1 1 1 16 VAL MG1 B 16 . HG1# 1 1 266 1 2 1 1 17 ARG H B 17 . HN 1 1 267 1 1 2 2 21 ALA MB A 21 . HB# 1 1 267 1 2 2 2 22 ARG H A 22 . HN 1 1 268 1 1 2 2 6 LEU MD1 A 6 . HD1# 1 1 268 1 2 2 2 7 ALA H A 7 . HN 1 1 269 1 1 1 1 18 ALA MB B 18 . HB# 1 1 269 1 2 1 1 19 GLN H B 19 . HN 1 1 270 1 1 2 2 3 TYR QE A 3 . HE# 1 1 270 1 2 2 2 6 LEU MD1 A 6 . HD1# 1 1 271 1 1 2 2 16 THR MG A 16 . HG2# 1 1 271 1 2 2 2 17 LYS H A 17 . HN 1 1 272 1 1 2 2 16 THR MG A 16 . HG2# 1 1 272 1 2 2 2 19 SER H A 19 . HN 1 1 273 1 1 2 2 17 LYS HA A 17 . HA 1 1 273 1 2 2 2 20 LEU MD1 A 20 . HD1# 1 1 274 1 1 2 2 17 LYS HA A 17 . HA 1 1 274 1 2 2 2 20 LEU MD2 A 20 . HD2# 1 1 275 1 1 2 2 18 ARG HA A 18 . HA 1 1 275 1 2 2 2 21 ALA MB A 21 . HB# 1 1 276 1 1 1 1 3 TRP HZ3 B 3 . HZ3 1 1 276 1 2 2 2 21 ALA MB A 21 . HB# 1 1 277 1 1 2 2 20 LEU MD1 A 20 . HD1# 1 1 277 1 2 2 2 21 ALA H A 21 . HN 1 1 278 1 1 2 2 20 LEU MD2 A 20 . HD2# 1 1 278 1 2 2 2 21 ALA H A 21 . HN 1 1 279 1 1 2 2 12 HIS HD2 A 12 . HD2 1 1 279 1 2 2 2 13 VAL MG1 A 13 . HG1# 1 1 280 1 1 2 2 12 HIS HD2 A 12 . HD2 1 1 280 1 2 2 2 13 VAL MG2 A 13 . HG2# 1 1 281 1 1 2 2 3 TYR QD A 3 . HD# 1 1 281 1 2 2 2 6 LEU MD2 A 6 . HD2# 1 1 282 1 1 1 1 7 VAL MG1 B 7 . HG1# 1 1 282 1 2 2 2 16 THR HA A 16 . HA 1 1 283 1 1 1 1 7 VAL MG2 B 7 . HG2# 1 1 283 1 2 2 2 16 THR HA A 16 . HA 1 1 284 1 1 1 1 7 VAL MG2 B 7 . HG2# 1 1 284 1 2 2 2 15 CYS HA A 15 . HA 1 1 285 1 1 2 2 15 CYS HA A 15 . HA 1 1 285 1 2 2 2 16 THR MG A 16 . HG2# 1 1 286 1 1 1 1 15 LEU MD1 B 15 . HD1# 1 1 286 1 2 1 1 16 VAL H B 16 . HN 1 1 287 1 1 1 1 15 LEU MD2 B 15 . HD2# 1 1 287 1 2 1 1 16 VAL H B 16 . HN 1 1 288 1 1 1 1 19 GLN HE22 B 19 . HE22 1 1 288 1 2 2 2 20 LEU MD1 A 20 . HD1# 1 1 289 1 1 2 2 3 TYR QE A 3 . HE# 1 1 289 1 2 2 2 6 LEU MD2 A 6 . HD2# 1 1 290 1 1 1 1 21 ALA MB B 21 . HB# 1 1 290 1 2 1 1 22 ILE H B 22 . HN 1 1 291 1 1 1 1 10 LEU MD1 B 10 . HD1# 1 1 291 1 2 1 1 14 GLU H B 14 . HN 1 1 292 1 1 1 1 7 VAL MG2 B 7 . HG2# 1 1 292 1 2 2 2 15 CYS H A 15 . HN 1 1 293 1 1 1 1 19 GLN HA B 19 . HA 1 1 293 1 2 2 2 20 LEU MD1 A 20 . HD1# 1 1 294 1 1 1 1 19 GLN HA B 19 . HA 1 1 294 1 2 2 2 20 LEU MD2 A 20 . HD2# 1 1 295 1 1 1 1 7 VAL MG1 B 7 . HG1# 1 1 295 1 2 2 2 16 THR MG A 16 . HG2# 1 1 296 1 1 1 1 7 VAL MG2 B 7 . HG2# 1 1 296 1 2 2 2 16 THR MG A 16 . HG2# 1 1 297 1 1 1 1 7 VAL MG1 B 7 . HG1# 1 1 297 1 2 2 2 16 THR HB A 16 . HB 1 1 298 1 1 1 1 10 LEU MD2 B 10 . HD2# 1 1 298 1 2 1 1 14 GLU HB2 B 14 . HB2 1 1 299 1 1 1 1 10 LEU MD2 B 10 . HD2# 1 1 299 1 2 1 1 14 GLU HB3 B 14 . HB1 1 1 300 1 1 1 1 10 LEU MD1 B 10 . HD1# 1 1 300 1 2 1 1 14 GLU HB3 B 14 . HB1 1 1 301 1 1 1 1 10 LEU MD1 B 10 . HD1# 1 1 301 1 2 1 1 14 GLU HB2 B 14 . HB2 1 1 302 1 1 1 1 10 LEU MD1 B 10 . HD1# 1 1 302 1 2 1 1 11 CYS H B 11 . HN 1 1 303 1 1 1 1 10 LEU MD2 B 10 . HD2# 1 1 303 1 2 1 1 11 CYS H B 11 . HN 1 1 304 1 1 1 1 19 GLN QG B 19 . HG# 1 1 304 1 2 2 2 20 LEU MD1 A 20 . HD1# 1 1 305 1 1 1 1 19 GLN QG B 19 . HG# 1 1 305 1 2 2 2 20 LEU MD2 A 20 . HD2# 1 1 306 1 1 1 1 8 ILE MD B 8 . HD1# 1 1 306 1 2 1 1 18 ALA MB B 18 . HB# 1 1 307 1 1 1 1 8 ILE MG B 8 . HG2# 1 1 307 1 2 1 1 18 ALA MB B 18 . HB# 1 1 308 1 1 1 1 3 TRP HZ3 B 3 . HZ3 1 1 308 1 2 1 1 22 ILE MD B 22 . HD1# 1 1 309 1 1 1 1 3 TRP HZ3 B 3 . HZ3 1 1 309 1 2 1 1 22 ILE MG B 22 . HG2# 1 1 310 1 1 1 1 19 GLN HA B 19 . HA 1 1 310 1 2 1 1 22 ILE MD B 22 . HD1# 1 1 311 1 1 1 1 22 ILE MD B 22 . HD1# 1 1 311 1 2 2 2 21 ALA HA A 21 . HA 1 1 312 1 1 2 2 12 HIS HB2 A 12 . HB2 1 1 312 1 2 2 2 13 VAL MG2 A 13 . HG2# 1 1 313 1 1 2 2 12 HIS HB3 A 12 . HB1 1 1 313 1 2 2 2 13 VAL MG2 A 13 . HG2# 1 1 314 1 1 2 2 12 HIS HB3 A 12 . HB1 1 1 314 1 2 2 2 13 VAL MG1 A 13 . HG1# 1 1 315 1 1 2 2 12 HIS HB2 A 12 . HB2 1 1 315 1 2 2 2 13 VAL MG1 A 13 . HG1# 1 1 316 1 1 2 2 9 LYS QE A 9 . HE# 1 1 316 1 2 2 2 13 VAL MG2 A 13 . HG2# 1 1 317 1 1 2 2 9 LYS QE A 9 . HE# 1 1 317 1 2 2 2 13 VAL MG1 A 13 . HG1# 1 1 318 1 1 1 1 22 ILE MD B 22 . HD1# 1 1 318 1 2 1 1 23 CYS H B 23 . HN 1 1 319 1 1 1 1 20 ILE MD B 20 . HD1# 1 1 319 1 2 1 1 21 ALA H B 21 . HN 1 1 320 1 1 1 1 16 VAL MG2 B 16 . HG2# 1 1 320 1 2 1 1 17 ARG H B 17 . HN 1 1 321 1 1 2 2 20 LEU MD2 A 20 . HD2# 1 1 321 1 2 2 2 23 PHE QD A 23 . HD# 1 1 322 1 1 2 2 6 LEU MD2 A 6 . HD2# 1 1 322 1 2 2 2 23 PHE QE A 23 . HE# 1 1 323 1 1 1 1 8 ILE MG B 8 . HG2# 1 1 323 1 2 2 2 17 LYS QE A 17 . HE# 1 1 324 1 1 1 1 8 ILE MD B 8 . HD1# 1 1 324 1 2 2 2 17 LYS QE A 17 . HE# 1 1 325 1 1 2 2 2 LEU H A 2 . HN 1 1 325 1 2 2 2 5 ALA MB A 5 . HB# 1 1 326 1 1 1 1 20 ILE H B 20 . HN 1 1 326 1 2 1 1 21 ALA MB B 21 . HB# 1 1 327 1 1 1 1 3 TRP HH2 B 3 . HH2 1 1 327 1 2 1 1 22 ILE MD B 22 . HD1# 1 1 328 1 1 1 1 5 GLU HA B 5 . HA 1 1 328 1 2 2 2 16 THR MG A 16 . HG2# 1 1 329 1 1 1 1 7 VAL HA B 7 . HA 1 1 329 1 2 2 2 16 THR MG A 16 . HG2# 1 1 330 1 1 1 1 13 ARG HA B 13 . HA 1 1 330 1 2 1 1 16 VAL MG1 B 16 . HG1# 1 1 331 1 1 2 2 9 LYS HA A 9 . HA 1 1 331 1 2 2 2 13 VAL MG1 A 13 . HG1# 1 1 332 1 1 1 1 15 LEU MD1 B 15 . HD1# 1 1 332 1 2 2 2 7 ALA HA A 7 . HA 1 1 333 1 1 2 2 6 LEU MD2 A 6 . HD2# 1 1 333 1 2 2 2 20 LEU HB2 A 20 . HB2 1 1 334 1 1 1 1 10 LEU HB2 B 10 . HB2 1 1 334 1 2 1 1 15 LEU MD2 B 15 . HD2# 1 1 335 1 1 1 1 15 LEU MD2 B 15 . HD2# 1 1 335 1 2 1 1 18 ALA MB B 18 . HB# 1 1 336 1 1 1 1 10 LEU MD2 B 10 . HD2# 1 1 336 1 2 1 1 15 LEU HA B 15 . HA 1 1 337 1 1 1 1 7 VAL MG2 B 7 . HG2# 1 1 337 1 2 2 2 14 GLY HA2 A 14 . HA2 1 1 338 1 1 1 1 7 VAL MG2 B 7 . HG2# 1 1 338 1 2 2 2 14 GLY HA3 A 14 . HA1 1 1 339 1 1 1 1 13 ARG HA B 13 . HA 1 1 339 1 2 1 1 16 VAL MG2 B 16 . HG2# 1 1 340 1 1 1 1 11 CYS HB2 B 11 . HB2 1 1 340 1 2 1 1 15 LEU MD2 B 15 . HD2# 1 1 341 1 1 1 1 11 CYS HB2 B 11 . HB2 1 1 341 1 2 1 1 15 LEU MD1 B 15 . HD1# 1 1 342 1 1 1 1 11 CYS HB3 B 11 . HB1 1 1 342 1 2 1 1 15 LEU MD2 B 15 . HD2# 1 1 343 1 1 2 2 4 SER HA A 4 . HA 1 1 343 1 2 2 2 7 ALA MB A 7 . HB# 1 1 344 1 1 2 2 16 THR MG A 16 . HG2# 1 1 344 1 2 2 2 18 ARG H A 18 . HN 1 1 345 1 1 1 1 8 ILE MD B 8 . HD1# 1 1 345 1 2 2 2 17 LYS HA A 17 . HA 1 1 346 1 1 1 1 10 LEU MD2 B 10 . HD2# 1 1 346 1 2 1 1 18 ALA H B 18 . HN 1 1 347 1 1 1 1 10 LEU MD2 B 10 . HD2# 1 1 347 1 2 1 1 18 ALA MB B 18 . HB# 1 1 348 1 1 1 1 6 GLU HB2 B 6 . HB2 1 1 348 1 2 1 1 8 ILE MG B 8 . HG2# 1 1 349 1 1 2 2 6 LEU MD2 A 6 . HD2# 1 1 349 1 2 2 2 20 LEU HG A 20 . HG 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.485 1.8 3.17 1 1 2 1 . . . . . 2.795 1.8 3.79 1 1 3 1 . . . . . 3.11 1.8 4.42 1 1 4 1 . . . . . 3.31 1.8 4.82 1 1 5 1 . . . . . 3.65 1.8 5.5 1 1 6 1 . . . . . 2.72 1.8 3.64 1 1 7 1 . . . . . 3.245 1.8 4.69 1 1 8 1 . . . . . 2.735 1.8 3.67 1 1 9 1 . . . . . 2.92 1.8 4.04 1 1 10 1 . . . . . 2.41 1.8 3.02 1 1 11 1 . . . . . 2.935 1.8 4.07 1 1 12 1 . . . . . 2.75 1.8 3.7 1 1 13 1 . . . . . 2.625 1.8 3.45 1 1 14 1 . . . . . 2.69 1.8 3.58 1 1 15 1 . . . . . 3.03 1.8 4.26 1 1 16 1 . . . . . 2.55 1.8 3.3 1 1 17 1 . . . . . 2.89 1.8 3.98 1 1 18 1 . . . . . 2.115 1.8 2.43 1 1 19 1 . . . . . 2.3 1.8 2.8 1 1 20 1 . . . . . 2.61 1.8 3.42 1 1 21 1 . . . . . 2.89 1.8 3.98 1 1 22 1 . . . . . 2.83 1.8 3.86 1 1 23 1 . . . . . 2.72 1.8 3.64 1 1 24 1 . . . . . 2.16 1.8 2.52 1 1 25 1 . . . . . 2.38 1.8 2.96 1 1 26 1 . . . . . 2.735 1.8 3.67 1 1 27 1 . . . . . 3.09 1.8 4.38 1 1 28 1 . . . . . 2.16 1.8 2.52 1 1 29 1 . . . . . 2.595 1.8 3.39 1 1 30 1 . . . . . 2.27 1.8 2.74 1 1 31 1 . . . . . 3.51 1.8 5.22 1 1 32 1 . . . . . 2.41 1.8 3.02 1 1 33 1 . . . . . 2.83 1.8 3.86 1 1 34 1 . . . . . 2.815 1.8 3.83 1 1 35 1 . . . . . 2.365 1.8 2.93 1 1 36 1 . . . . . 3.14 1.8 4.48 1 1 37 1 . . . . . 2.595 1.8 3.39 1 1 38 1 . . . . . 3.385 1.8 4.97 1 1 39 1 . . . . . 2.595 1.8 3.39 1 1 40 1 . . . . . 2.44 1.8 3.08 1 1 41 1 . . . . . 2.925 1.8 4.05 1 1 42 1 . . . . . 2.89 1.8 3.98 1 1 43 1 . . . . . 3.31 1.8 4.82 1 1 44 1 . . . . . 2.66 1.8 3.52 1 1 45 1 . . . . . 2.485 1.8 3.17 1 1 46 1 . . . . . 2.64 1.8 3.48 1 1 47 1 . . . . . 3.9 1.8 6.0 1 1 48 1 . . . . . 2.675 1.8 3.55 1 1 49 1 . . . . . 2.41 1.8 3.02 1 1 50 1 . . . . . 2.3 1.8 2.8 1 1 51 1 . . . . . 2.955 1.8 4.11 1 1 52 1 . . . . . 2.89 1.8 3.98 1 1 53 1 . . . . . 2.395 1.8 2.99 1 1 54 1 . . . . . 2.44 1.8 3.08 1 1 55 1 . . . . . 2.24 1.8 2.68 1 1 56 1 . . . . . 2.1 1.8 2.4 1 1 57 1 . . . . . 2.13 1.8 2.46 1 1 58 1 . . . . . 2.41 1.8 3.02 1 1 59 1 . . . . . 2.35 1.8 2.9 1 1 60 1 . . . . . 3.635 1.8 5.47 1 1 61 1 . . . . . 3.005 1.8 4.21 1 1 62 1 . . . . . 2.985 1.8 4.17 1 1 63 1 . . . . . 2.1 1.8 2.4 1 1 64 1 . . . . . 3.17 1.8 4.54 1 1 65 1 . . . . . 2.505 1.8 3.21 1 1 66 1 . . . . . 2.86 1.8 3.92 1 1 67 1 . . . . . 2.3 1.8 2.8 1 1 68 1 . . . . . 2.735 1.8 3.67 1 1 69 1 . . . . . 3.65 1.8 5.5 1 1 70 1 . . . . . 2.58 1.8 3.36 1 1 71 1 . . . . . 2.705 1.8 3.61 1 1 72 1 . . . . . 2.625 1.8 3.45 1 1 73 1 . . . . . 2.705 1.8 3.61 1 1 74 1 . . . . . 2.255 1.8 2.71 1 1 75 1 . . . . . 2.455 1.8 3.11 1 1 76 1 . . . . . 2.285 1.8 2.77 1 1 77 1 . . . . . 2.61 1.8 3.42 1 1 78 1 . . . . . 2.455 1.8 3.11 1 1 79 1 . . . . . 2.875 1.8 3.95 1 1 80 1 . . . . . 3.11 1.8 4.42 1 1 81 1 . . . . . 2.765 1.8 3.73 1 1 82 1 . . . . . 2.75 1.8 3.7 1 1 83 1 . . . . . 2.72 1.8 3.64 1 1 84 1 . . . . . 2.35 1.8 2.9 1 1 85 1 . . . . . 2.255 1.8 2.71 1 1 86 1 . . . . . 2.21 1.8 2.62 1 1 87 1 . . . . . 2.425 1.8 3.05 1 1 88 1 . . . . . 2.35 1.8 2.9 1 1 89 1 . . . . . 2.83 1.8 3.86 1 1 90 1 . . . . . 3.65 1.8 5.5 1 1 91 1 . . . . . 2.52 1.8 3.24 1 1 92 1 . . . . . 2.83 1.8 3.86 1 1 93 1 . . . . . 2.64 1.8 3.48 1 1 94 1 . . . . . 2.86 1.8 3.92 1 1 95 1 . . . . . 2.935 1.8 4.07 1 1 96 1 . . . . . 2.365 1.8 2.93 1 1 97 1 . . . . . 2.395 1.8 2.99 1 1 98 1 . . . . . 3.59 1.8 5.38 1 1 99 1 . . . . . 2.97 1.8 4.14 1 1 100 1 . . . . . 2.44 1.8 3.08 1 1 101 1 . . . . . 2.35 1.8 2.9 1 1 102 1 . . . . . 2.86 1.8 3.92 1 1 103 1 . . . . . 2.595 1.8 3.39 1 1 104 1 . . . . . 2.72 1.8 3.64 1 1 105 1 . . . . . 3.51 1.8 5.22 1 1 106 1 . . . . . 2.935 1.8 4.07 1 1 107 1 . . . . . 2.55 1.8 3.3 1 1 108 1 . . . . . 2.55 1.8 3.3 1 1 109 1 . . . . . 2.845 1.8 3.89 1 1 110 1 . . . . . 3.06 1.8 4.32 1 1 111 1 . . . . . 2.75 1.8 3.7 1 1 112 1 . . . . . 3.215 1.8 4.63 1 1 113 1 . . . . . 3.45 1.8 5.1 1 1 114 1 . . . . . 2.89 1.8 3.98 1 1 115 1 . . . . . 2.485 1.8 3.17 1 1 116 1 . . . . . 3.125 1.8 4.45 1 1 117 1 . . . . . 2.69 1.8 3.58 1 1 118 1 . . . . . 2.55 1.8 3.3 1 1 119 1 . . . . . 2.765 1.8 3.73 1 1 120 1 . . . . . 2.955 1.8 4.11 1 1 121 1 . . . . . 2.675 1.8 3.55 1 1 122 1 . . . . . 2.935 1.8 4.07 1 1 123 1 . . . . . 3.31 1.8 4.82 1 1 124 1 . . . . . 2.75 1.8 3.7 1 1 125 1 . . . . . 2.735 1.8 3.67 1 1 126 1 . . . . . 4.075 1.8 6.35 1 1 127 1 . . . . . 3.315 1.8 4.83 1 1 128 1 . . . . . 3.495 1.8 5.19 1 1 129 1 . . . . . 2.505 1.8 3.21 1 1 130 1 . . . . . 2.935 1.8 4.07 1 1 131 1 . . . . . 2.64 1.8 3.48 1 1 132 1 . . . . . 3.37 1.8 4.94 1 1 133 1 . . . . . 3.14 1.8 4.48 1 1 134 1 . . . . . 3.17 1.8 4.54 1 1 135 1 . . . . . 2.83 1.8 3.86 1 1 136 1 . . . . . 3.23 1.8 4.66 1 1 137 1 . . . . . 2.58 1.8 3.36 1 1 138 1 . . . . . 3.855 1.8 5.91 1 1 139 1 . . . . . 3.53 1.8 5.26 1 1 140 1 . . . . . 2.425 1.8 3.05 1 1 141 1 . . . . . 2.675 1.8 3.55 1 1 142 1 . . . . . 2.425 1.8 3.05 1 1 143 1 . . . . . 2.705 1.8 3.61 1 1 144 1 . . . . . 3.295 1.8 4.79 1 1 145 1 . . . . . 2.47 1.8 3.14 1 1 146 1 . . . . . 2.61 1.8 3.42 1 1 147 1 . . . . . 2.58 1.8 3.36 1 1 148 1 . . . . . 2.38 1.8 2.96 1 1 149 1 . . . . . 3.65 1.8 5.5 1 1 150 1 . . . . . 2.38 1.8 2.96 1 1 151 1 . . . . . 3.075 1.8 4.35 1 1 152 1 . . . . . 3.015 1.8 4.23 1 1 153 1 . . . . . 2.505 1.8 3.21 1 1 154 1 . . . . . 2.3 1.8 2.8 1 1 155 1 . . . . . 2.765 1.8 3.73 1 1 156 1 . . . . . 2.38 1.8 2.96 1 1 157 1 . . . . . 2.795 1.8 3.79 1 1 158 1 . . . . . 2.425 1.8 3.05 1 1 159 1 . . . . . 2.38 1.8 2.96 1 1 160 1 . . . . . 2.41 1.8 3.02 1 1 161 1 . . . . . 3.185 1.8 4.57 1 1 162 1 . . . . . 2.675 1.8 3.55 1 1 163 1 . . . . . 2.485 1.8 3.17 1 1 164 1 . . . . . 2.705 1.8 3.61 1 1 165 1 . . . . . 2.625 1.8 3.45 1 1 166 1 . . . . . 3.2 1.8 4.6 1 1 167 1 . . . . . 2.44 1.8 3.08 1 1 168 1 . . . . . 2.58 1.8 3.36 1 1 169 1 . . . . . 2.44 1.8 3.08 1 1 170 1 . . . . . 2.58 1.8 3.36 1 1 171 1 . . . . . 2.425 1.8 3.05 1 1 172 1 . . . . . 2.565 1.8 3.33 1 1 173 1 . . . . . 2.625 1.8 3.45 1 1 174 1 . . . . . 2.92 1.8 4.04 1 1 175 1 . . . . . 2.955 1.8 4.11 1 1 176 1 . . . . . 3.11 1.8 4.42 1 1 177 1 . . . . . 2.395 1.8 2.99 1 1 178 1 . . . . . 2.64 1.8 3.48 1 1 179 1 . . . . . 2.565 1.8 3.33 1 1 180 1 . . . . . 2.485 1.8 3.17 1 1 181 1 . . . . . 3.67 1.8 5.54 1 1 182 1 . . . . . 2.3 1.8 2.8 1 1 183 1 . . . . . 2.795 1.8 3.79 1 1 184 1 . . . . . 2.705 1.8 3.61 1 1 185 1 . . . . . 2.61 1.8 3.42 1 1 186 1 . . . . . 2.535 1.8 3.27 1 1 187 1 . . . . . 2.3 1.8 2.8 1 1 188 1 . . . . . 3.295 1.8 4.79 1 1 189 1 . . . . . 2.44 1.8 3.08 1 1 190 1 . . . . . 2.78 1.8 3.76 1 1 191 1 . . . . . 3.26 1.8 4.72 1 1 192 1 . . . . . 4.09 1.8 6.38 1 1 193 1 . . . . . 3.65 1.8 5.5 1 1 194 1 . . . . . 3.65 1.8 5.5 1 1 195 1 . . . . . 4.09 1.8 6.38 1 1 196 1 . . . . . 3.14 1.8 4.48 1 1 197 1 . . . . . 3.06 1.8 4.32 1 1 198 1 . . . . . 4.09 1.8 6.38 1 1 199 1 . . . . . 3.65 1.8 5.5 1 1 200 1 . . . . . 3.45 1.8 5.1 1 1 201 1 . . . . . 3.65 1.8 5.5 1 1 202 1 . . . . . 4.09 1.8 6.38 1 1 203 1 . . . . . 3.65 1.8 5.5 1 1 204 1 . . . . . 3.65 1.8 5.5 1 1 205 1 . . . . . 3.73 1.8 5.66 1 1 206 1 . . . . . 3.145 1.8 4.49 1 1 207 1 . . . . . 3.26 1.8 4.72 1 1 208 1 . . . . . 2.735 1.8 3.67 1 1 209 1 . . . . . 3.03 1.8 4.26 1 1 210 1 . . . . . 2.485 1.8 3.17 1 1 211 1 . . . . . 4.09 1.8 6.38 1 1 212 1 . . . . . 4.715 1.8 7.63 1 1 213 1 . . . . . 4.715 1.8 7.63 1 1 214 1 . . . . . 5.155 1.8 8.51 1 1 215 1 . . . . . 3.65 1.8 5.5 1 1 216 1 . . . . . 2.97 1.8 4.14 1 1 217 1 . . . . . 5.775 1.8 9.75 1 1 218 1 . . . . . 2.395 1.8 2.99 1 1 219 1 . . . . . 3.65 1.8 5.5 1 1 220 1 . . . . . 3.65 1.8 5.5 1 1 221 1 . . . . . 3.53 1.8 5.26 1 1 222 1 . . . . . 3.575 1.8 5.35 1 1 223 1 . . . . . 3.995 1.8 6.19 1 1 224 1 . . . . . 2.505 1.8 3.21 1 1 225 1 . . . . . 4.09 1.8 6.38 1 1 226 1 . . . . . 3.65 1.8 5.5 1 1 227 1 . . . . . 4.68 1.8 7.56 1 1 228 1 . . . . . 4.65 1.8 7.5 1 1 229 1 . . . . . 3.98 1.8 6.16 1 1 230 1 . . . . . 2.985 1.8 4.17 1 1 231 1 . . . . . 4.09 1.8 6.38 1 1 232 1 . . . . . 3.03 1.8 4.26 1 1 233 1 . . . . . 4.26 1.8 6.72 1 1 234 1 . . . . . 3.65 1.8 5.5 1 1 235 1 . . . . . 2.86 1.8 3.92 1 1 236 1 . . . . . 4.09 1.8 6.38 1 1 237 1 . . . . . 3.59 1.8 5.38 1 1 238 1 . . . . . 2.955 1.8 4.11 1 1 239 1 . . . . . 2.58 1.8 3.36 1 1 240 1 . . . . . 2.35 1.8 2.9 1 1 241 1 . . . . . 3.51 1.8 5.22 1 1 242 1 . . . . . 5.78 1.8 9.76 1 1 243 1 . . . . . 5.775 1.8 9.75 1 1 244 1 . . . . . 2.1 1.8 2.4 1 1 245 1 . . . . . 2.705 1.8 3.61 1 1 246 1 . . . . . 3.65 1.8 5.5 1 1 247 1 . . . . . 2.72 1.8 3.64 1 1 248 1 . . . . . 3.59 1.8 5.38 1 1 249 1 . . . . . 2.985 1.8 4.17 1 1 250 1 . . . . . 3.175 1.8 4.55 1 1 251 1 . . . . . 2.455 1.8 3.11 1 1 252 1 . . . . . 5.155 1.8 8.51 1 1 253 1 . . . . . 4.165 1.8 6.53 1 1 254 1 . . . . . 4.165 1.8 6.53 1 1 255 1 . . . . . 4.165 1.8 6.53 1 1 256 1 . . . . . 3.325 1.8 4.85 1 1 257 1 . . . . . 4.1 1.8 6.4 1 1 258 1 . . . . . 4.165 1.8 6.53 1 1 259 1 . . . . . 4.165 1.8 6.53 1 1 260 1 . . . . . 3.185 1.8 4.57 1 1 261 1 . . . . . 4.165 1.8 6.53 1 1 262 1 . . . . . 3.08 1.8 4.36 1 1 263 1 . . . . . 3.59 1.8 5.38 1 1 264 1 . . . . . 4.165 1.8 6.53 1 1 265 1 . . . . . 2.895 1.8 3.99 1 1 266 1 . . . . . 3.715 1.8 5.63 1 1 267 1 . . . . . 3.235 1.8 4.67 1 1 268 1 . . . . . 4.165 1.8 6.53 1 1 269 1 . . . . . 2.985 1.8 4.17 1 1 270 1 . . . . . 4.995 1.8 8.19 1 1 271 1 . . . . . 4.165 1.8 6.53 1 1 272 1 . . . . . 4.165 1.8 6.53 1 1 273 1 . . . . . 2.985 1.8 4.17 1 1 274 1 . . . . . 2.895 1.8 3.99 1 1 275 1 . . . . . 3.015 1.8 4.23 1 1 276 1 . . . . . 3.805 1.8 5.81 1 1 277 1 . . . . . 3.48 1.8 5.16 1 1 278 1 . . . . . 4.165 1.8 6.53 1 1 279 1 . . . . . 3.805 1.8 5.81 1 1 280 1 . . . . . 4.025 1.8 6.25 1 1 281 1 . . . . . 5.235 1.8 8.67 1 1 282 1 . . . . . 3.28 1.8 4.76 1 1 283 1 . . . . . 3.805 1.8 5.81 1 1 284 1 . . . . . 4.165 1.8 6.53 1 1 285 1 . . . . . 3.995 1.8 6.19 1 1 286 1 . . . . . 3.65 1.8 5.5 1 1 287 1 . . . . . 4.165 1.8 6.53 1 1 288 1 . . . . . 4.165 1.8 6.53 1 1 289 1 . . . . . 4.255 1.8 6.71 1 1 290 1 . . . . . 3.015 1.8 4.23 1 1 291 1 . . . . . 4.165 1.8 6.53 1 1 292 1 . . . . . 3.7 1.8 5.6 1 1 293 1 . . . . . 3.73 1.8 5.66 1 1 294 1 . . . . . 3.805 1.8 5.81 1 1 295 1 . . . . . 4.09 1.8 6.38 1 1 296 1 . . . . . 4.68 1.8 7.56 1 1 297 1 . . . . . 4.165 1.8 6.53 1 1 298 1 . . . . . 4.165 1.8 6.53 1 1 299 1 . . . . . 3.36 1.8 4.92 1 1 300 1 . . . . . 2.94 1.8 4.08 1 1 301 1 . . . . . 3.79 1.8 5.78 1 1 302 1 . . . . . 3.45 1.8 5.1 1 1 303 1 . . . . . 4.165 1.8 6.53 1 1 304 1 . . . . . 4.6 1.8 7.4 1 1 305 1 . . . . . 4.6 1.8 7.4 1 1 306 1 . . . . . 4.075 1.8 6.35 1 1 307 1 . . . . . 4.215 1.8 6.63 1 1 308 1 . . . . . 3.34 1.8 4.88 1 1 309 1 . . . . . 3.73 1.8 5.66 1 1 310 1 . . . . . 3.745 1.8 5.69 1 1 311 1 . . . . . 2.94 1.8 4.08 1 1 312 1 . . . . . 4.165 1.8 6.53 1 1 313 1 . . . . . 4.165 1.8 6.53 1 1 314 1 . . . . . 3.465 1.8 5.13 1 1 315 1 . . . . . 3.73 1.8 5.66 1 1 316 1 . . . . . 4.6 1.8 7.4 1 1 317 1 . . . . . 4.6 1.8 7.4 1 1 318 1 . . . . . 3.59 1.8 5.38 1 1 319 1 . . . . . 3.53 1.8 5.26 1 1 320 1 . . . . . 3.635 1.8 5.47 1 1 321 1 . . . . . 5.225 1.8 8.65 1 1 322 1 . . . . . 4.34 1.8 6.88 1 1 323 1 . . . . . 3.595 1.8 5.39 1 1 324 1 . . . . . 4.275 1.8 6.75 1 1 325 1 . . . . . 3.48 1.8 5.16 1 1 326 1 . . . . . 4.165 1.8 6.53 1 1 327 1 . . . . . 3.465 1.8 5.13 1 1 328 1 . . . . . 3.325 1.8 4.85 1 1 329 1 . . . . . 3.745 1.8 5.69 1 1 330 1 . . . . . 2.94 1.8 4.08 1 1 331 1 . . . . . 3.235 1.8 4.67 1 1 332 1 . . . . . 2.955 1.8 4.11 1 1 333 1 . . . . . 2.91 1.8 4.02 1 1 334 1 . . . . . 3.25 1.8 4.7 1 1 335 1 . . . . . 4.23 1.8 6.66 1 1 336 1 . . . . . 3.08 1.8 4.36 1 1 337 1 . . . . . 2.97 1.8 4.14 1 1 338 1 . . . . . 3.53 1.8 5.26 1 1 339 1 . . . . . 3.635 1.8 5.47 1 1 340 1 . . . . . 3.48 1.8 5.16 1 1 341 1 . . . . . 3.155 1.8 4.51 1 1 342 1 . . . . . 3.325 1.8 4.85 1 1 343 1 . . . . . 3.205 1.8 4.61 1 1 344 1 . . . . . 3.575 1.8 5.35 1 1 345 1 . . . . . 3.855 1.8 5.91 1 1 346 1 . . . . . 3.825 1.8 5.85 1 1 347 1 . . . . . 3.75 1.8 5.7 1 1 348 1 . . . . . 3.915 1.8 6.03 1 1 349 1 . . . . . 2.675 1.8 3.55 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 2 2 1 . . . 1 2 3 1 . . . 1 2 4 1 . . . 1 2 5 1 . . . 1 2 6 1 . . . 1 2 7 1 . . . 1 2 8 1 . . . 1 2 9 1 . . . 1 2 10 1 . . . 1 2 11 1 . . . 1 2 12 1 . . . 1 2 13 1 . . . 1 2 14 1 . . . 1 2 15 1 . . . 1 2 16 1 . . . 1 2 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 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 2 2 2 LEU O A 2 . O 1 2 1 1 2 2 2 6 LEU H A 6 . HN 1 2 2 1 1 2 2 2 LEU O A 2 . O 1 2 2 1 2 2 2 6 LEU N A 6 . N 1 2 3 1 1 2 2 5 ALA O A 5 . O 1 2 3 1 2 2 2 9 LYS H A 9 . HN 1 2 4 1 1 2 2 5 ALA O A 5 . O 1 2 4 1 2 2 2 9 LYS N A 9 . N 1 2 5 1 1 2 2 7 ALA O A 7 . O 1 2 5 1 2 2 2 11 CYS H A 11 . HN 1 2 6 1 1 2 2 7 ALA O A 7 . O 1 2 6 1 2 2 2 11 CYS N A 11 . N 1 2 7 1 1 2 2 8 ASN O A 8 . O 1 2 7 1 2 2 2 12 HIS H A 12 . HN 1 2 8 1 1 2 2 8 ASN O A 8 . O 1 2 8 1 2 2 2 12 HIS N A 12 . N 1 2 9 1 1 2 2 16 THR O A 16 . O 1 2 9 1 2 2 2 20 LEU H A 20 . HN 1 2 10 1 1 2 2 16 THR O A 16 . O 1 2 10 1 2 2 2 20 LEU N A 20 . N 1 2 11 1 1 2 2 18 ARG O A 18 . O 1 2 11 1 2 2 2 22 ARG H A 22 . HN 1 2 12 1 1 2 2 18 ARG O A 18 . O 1 2 12 1 2 2 2 22 ARG N A 22 . N 1 2 13 1 1 2 2 20 LEU O A 20 . O 1 2 13 1 2 2 2 24 CYS H A 24 . HN 1 2 14 1 1 2 2 20 LEU O A 20 . O 1 2 14 1 2 2 2 24 CYS N A 24 . N 1 2 15 1 1 1 1 11 CYS O B 11 . O 1 2 15 1 2 1 1 15 LEU H B 15 . HN 1 2 16 1 1 1 1 11 CYS O B 11 . O 1 2 16 1 2 1 1 15 LEU N B 15 . N 1 2 17 1 1 1 1 12 GLY O B 12 . O 1 2 17 1 2 1 1 16 VAL H B 16 . HN 1 2 18 1 1 1 1 12 GLY O B 12 . O 1 2 18 1 2 1 1 16 VAL N B 16 . N 1 2 19 1 1 1 1 13 ARG O B 13 . O 1 2 19 1 2 1 1 17 ARG H B 17 . HN 1 2 20 1 1 1 1 13 ARG O B 13 . O 1 2 20 1 2 1 1 17 ARG N B 17 . N 1 2 21 1 1 1 1 14 GLU O B 14 . O 1 2 21 1 2 1 1 18 ALA H B 18 . HN 1 2 22 1 1 1 1 14 GLU O B 14 . O 1 2 22 1 2 1 1 18 ALA N B 18 . N 1 2 23 1 1 1 1 16 VAL O B 16 . O 1 2 23 1 2 1 1 20 ILE H B 20 . HN 1 2 24 1 1 1 1 16 VAL O B 16 . O 1 2 24 1 2 1 1 20 ILE N B 20 . N 1 2 25 1 1 1 1 17 ARG O B 17 . O 1 2 25 1 2 1 1 21 ALA H B 21 . HN 1 2 26 1 1 1 1 17 ARG O B 17 . O 1 2 26 1 2 1 1 21 ALA N B 21 . N 1 2 27 1 1 1 1 18 ALA O B 18 . O 1 2 27 1 2 1 1 22 ILE H B 22 . HN 1 2 28 1 1 1 1 18 ALA O B 18 . O 1 2 28 1 2 1 1 22 ILE N B 22 . N 1 2 29 1 1 1 1 20 ILE O B 20 . O 1 2 29 1 2 1 1 24 GLY H B 24 . HN 1 2 30 1 1 1 1 20 ILE O B 20 . O 1 2 30 1 2 1 1 24 GLY N B 24 . N 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 . . . . . 1.6 1.2 2.3 1 2 2 1 . . . . . 2.4 1.8 3.3 1 2 3 1 . . . . . 1.6 1.2 2.3 1 2 4 1 . . . . . 2.4 1.8 3.3 1 2 5 1 . . . . . 1.6 1.2 2.3 1 2 6 1 . . . . . 2.4 1.8 3.3 1 2 7 1 . . . . . 1.6 1.2 2.3 1 2 8 1 . . . . . 2.4 1.8 3.3 1 2 9 1 . . . . . 1.6 1.2 2.3 1 2 10 1 . . . . . 2.4 1.8 3.3 1 2 11 1 . . . . . 1.6 1.2 2.3 1 2 12 1 . . . . . 2.4 1.8 3.3 1 2 13 1 . . . . . 1.6 1.2 2.3 1 2 14 1 . . . . . 2.4 1.8 3.3 1 2 15 1 . . . . . 1.6 1.2 2.3 1 2 16 1 . . . . . 2.4 1.8 3.3 1 2 17 1 . . . . . 1.6 1.2 2.3 1 2 18 1 . . . . . 2.4 1.8 3.3 1 2 19 1 . . . . . 1.6 1.2 2.3 1 2 20 1 . . . . . 2.4 1.8 3.3 1 2 21 1 . . . . . 1.6 1.2 2.3 1 2 22 1 . . . . . 2.4 1.8 3.3 1 2 23 1 . . . . . 1.6 1.2 2.3 1 2 24 1 . . . . . 2.4 1.8 3.3 1 2 25 1 . . . . . 1.6 1.2 2.3 1 2 26 1 . . . . . 2.4 1.8 3.3 1 2 27 1 . . . . . 1.6 1.2 2.3 1 2 28 1 . . . . . 2.4 1.8 3.3 1 2 29 1 . . . . . 1.6 1.2 2.3 1 2 30 1 . . . . . 2.4 1.8 3.3 1 2 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 2 2 9 LYS N 2 2 9 LYS CA 2 2 9 LYS CB 2 2 9 LYS CG -210.0 -30.0 A 9 . N A 9 . CA A 9 . CB A 9 . CG 1 1 2 . 2 2 20 LEU N 2 2 20 LEU CA 2 2 20 LEU CB 2 2 20 LEU CG -210.0 -30.0 A 20 . N A 20 . CA A 20 . CB A 20 . CG 1 1 3 . 2 2 23 PHE N 2 2 23 PHE CA 2 2 23 PHE CB 2 2 23 PHE CG -210.0 -30.0 A 23 . N A 23 . CA A 23 . CB A 23 . CG 1 1 4 . 1 1 5 GLU N 1 1 5 GLU CA 1 1 5 GLU CB 1 1 5 GLU CG -210.0 -30.0 B 5 . N B 5 . CA B 5 . CB B 5 . CG 1 1 5 . 1 1 6 GLU N 1 1 6 GLU CA 1 1 6 GLU CB 1 1 6 GLU CG -210.0 -30.0 B 6 . N B 6 . CA B 6 . CB B 6 . CG 1 1 6 . 1 1 19 GLN N 1 1 19 GLN CA 1 1 19 GLN CB 1 1 19 GLN CG -89.99999 -30.0 B 19 . N B 19 . CA B 19 . CB B 19 . CG 1 1 7 . 2 2 1 PCA C 2 2 2 LEU N 2 2 2 LEU CA 2 2 2 LEU C -82.0 -42.0 A 1 . C A 2 . N A 2 . CA A 2 . C 1 1 8 . 2 2 2 LEU N 2 2 2 LEU CA 2 2 2 LEU C 2 2 3 TYR N -62.899998 -22.9 A 2 . N A 2 . CA A 2 . C A 3 . N 1 1 9 . 2 2 2 LEU C 2 2 3 TYR N 2 2 3 TYR CA 2 2 3 TYR C -82.1 -42.1 A 2 . C A 3 . N A 3 . CA A 3 . C 1 1 10 . 2 2 3 TYR N 2 2 3 TYR CA 2 2 3 TYR C 2 2 4 SER N -59.2 -19.2 A 3 . N A 3 . CA A 3 . C A 4 . N 1 1 11 . 2 2 3 TYR C 2 2 4 SER N 2 2 4 SER CA 2 2 4 SER C -81.7 -41.699997 A 3 . C A 4 . N A 4 . CA A 4 . C 1 1 12 . 2 2 4 SER N 2 2 4 SER CA 2 2 4 SER C 2 2 5 ALA N -62.199997 -22.2 A 4 . N A 4 . CA A 4 . C A 5 . N 1 1 13 . 2 2 4 SER C 2 2 5 ALA N 2 2 5 ALA CA 2 2 5 ALA C -83.399994 -43.4 A 4 . C A 5 . N A 5 . CA A 5 . C 1 1 14 . 2 2 5 ALA N 2 2 5 ALA CA 2 2 5 ALA C 2 2 6 LEU N -61.999996 -22.0 A 5 . N A 5 . CA A 5 . C A 6 . N 1 1 15 . 2 2 5 ALA C 2 2 6 LEU N 2 2 6 LEU CA 2 2 6 LEU C -84.1 -44.1 A 5 . C A 6 . N A 6 . CA A 6 . C 1 1 16 . 2 2 6 LEU N 2 2 6 LEU CA 2 2 6 LEU C 2 2 7 ALA N -61.3 -21.3 A 6 . N A 6 . CA A 6 . C A 7 . N 1 1 17 . 2 2 6 LEU C 2 2 7 ALA N 2 2 7 ALA CA 2 2 7 ALA C -83.1 -43.099995 A 6 . C A 7 . N A 7 . CA A 7 . C 1 1 18 . 2 2 7 ALA N 2 2 7 ALA CA 2 2 7 ALA C 2 2 8 ASN N -58.2 -18.2 A 7 . N A 7 . CA A 7 . C A 8 . N 1 1 19 . 2 2 7 ALA C 2 2 8 ASN N 2 2 8 ASN CA 2 2 8 ASN C -84.3 -44.3 A 7 . C A 8 . N A 8 . CA A 8 . C 1 1 20 . 2 2 8 ASN N 2 2 8 ASN CA 2 2 8 ASN C 2 2 9 LYS N -63.3 -23.3 A 8 . N A 8 . CA A 8 . C A 9 . N 1 1 21 . 2 2 8 ASN C 2 2 9 LYS N 2 2 9 LYS CA 2 2 9 LYS C -84.2 -44.2 A 8 . C A 9 . N A 9 . CA A 9 . C 1 1 22 . 2 2 9 LYS N 2 2 9 LYS CA 2 2 9 LYS C 2 2 10 CYS N -57.0 -17.0 A 9 . N A 9 . CA A 9 . C A 10 . N 1 1 23 . 2 2 9 LYS C 2 2 10 CYS N 2 2 10 CYS CA 2 2 10 CYS C -93.799995 -37.8 A 9 . C A 10 . N A 10 . CA A 10 . C 1 1 24 . 2 2 10 CYS N 2 2 10 CYS CA 2 2 10 CYS C 2 2 11 CYS N -54.2 -14.2 A 10 . N A 10 . CA A 10 . C A 11 . N 1 1 25 . 2 2 10 CYS C 2 2 11 CYS N 2 2 11 CYS CA 2 2 11 CYS C -124.69999 -52.5 A 10 . C A 11 . N A 11 . CA A 11 . C 1 1 26 . 2 2 11 CYS N 2 2 11 CYS CA 2 2 11 CYS C 2 2 12 HIS N -59.2 56.6 A 11 . N A 11 . CA A 11 . C A 12 . N 1 1 27 . 2 2 12 HIS C 2 2 13 VAL N 2 2 13 VAL CA 2 2 13 VAL C -161.0 -59.8 A 12 . C A 13 . N A 13 . CA A 13 . C 1 1 28 . 2 2 14 GLY N 2 2 14 GLY CA 2 2 14 GLY C 2 2 15 CYS N 109.7 182.7 A 14 . N A 14 . CA A 14 . C A 15 . N 1 1 29 . 2 2 14 GLY C 2 2 15 CYS N 2 2 15 CYS CA 2 2 15 CYS C -159.1 -88.3 A 14 . C A 15 . N A 15 . CA A 15 . C 1 1 30 . 2 2 15 CYS N 2 2 15 CYS CA 2 2 15 CYS C 2 2 16 THR N 104.19999 163.2 A 15 . N A 15 . CA A 15 . C A 16 . N 1 1 31 . 2 2 15 CYS C 2 2 16 THR N 2 2 16 THR CA 2 2 16 THR C -140.1 -36.7 A 15 . C A 16 . N A 16 . CA A 16 . C 1 1 32 . 2 2 16 THR N 2 2 16 THR CA 2 2 16 THR C 2 2 17 LYS N 145.3 185.3 A 16 . N A 16 . CA A 16 . C A 17 . N 1 1 33 . 2 2 16 THR C 2 2 17 LYS N 2 2 17 LYS CA 2 2 17 LYS C -80.2 -40.2 A 16 . C A 17 . N A 17 . CA A 17 . C 1 1 34 . 2 2 17 LYS N 2 2 17 LYS CA 2 2 17 LYS C 2 2 18 ARG N -62.700005 -22.7 A 17 . N A 17 . CA A 17 . C A 18 . N 1 1 35 . 2 2 17 LYS C 2 2 18 ARG N 2 2 18 ARG CA 2 2 18 ARG C -84.0 -44.0 A 17 . C A 18 . N A 18 . CA A 18 . C 1 1 36 . 2 2 18 ARG N 2 2 18 ARG CA 2 2 18 ARG C 2 2 19 SER N -61.1 -21.1 A 18 . N A 18 . CA A 18 . C A 19 . N 1 1 37 . 2 2 18 ARG C 2 2 19 SER N 2 2 19 SER CA 2 2 19 SER C -82.2 -42.2 A 18 . C A 19 . N A 19 . CA A 19 . C 1 1 38 . 2 2 19 SER N 2 2 19 SER CA 2 2 19 SER C 2 2 20 LEU N -62.199997 -22.2 A 19 . N A 19 . CA A 19 . C A 20 . N 1 1 39 . 2 2 19 SER C 2 2 20 LEU N 2 2 20 LEU CA 2 2 20 LEU C -89.3 -49.3 A 19 . C A 20 . N A 20 . CA A 20 . C 1 1 40 . 2 2 20 LEU N 2 2 20 LEU CA 2 2 20 LEU C 2 2 21 ALA N -60.800003 -20.8 A 20 . N A 20 . CA A 20 . C A 21 . N 1 1 41 . 2 2 20 LEU C 2 2 21 ALA N 2 2 21 ALA CA 2 2 21 ALA C -83.8 -43.8 A 20 . C A 21 . N A 21 . CA A 21 . C 1 1 42 . 2 2 21 ALA N 2 2 21 ALA CA 2 2 21 ALA C 2 2 22 ARG N -54.9 -9.1 A 21 . N A 21 . CA A 21 . C A 22 . N 1 1 43 . 2 2 21 ALA C 2 2 22 ARG N 2 2 22 ARG CA 2 2 22 ARG C -109.6 -59.2 A 21 . C A 22 . N A 22 . CA A 22 . C 1 1 44 . 2 2 22 ARG N 2 2 22 ARG CA 2 2 22 ARG C 2 2 23 PHE N -32.5 16.1 A 22 . N A 22 . CA A 22 . C A 23 . N 1 1 45 . 2 2 22 ARG C 2 2 23 PHE N 2 2 23 PHE CA 2 2 23 PHE C -189.1 -55.5 A 22 . C A 23 . N A 23 . CA A 23 . C 1 1 46 . 1 1 1 ASP C 1 1 2 SER N 1 1 2 SER CA 1 1 2 SER C -179.99998 -20.0 B 1 . C B 2 . N B 2 . CA B 2 . C 1 1 47 . 1 1 2 SER C 1 1 3 TRP N 1 1 3 TRP CA 1 1 3 TRP C -91.3 -40.9 B 2 . C B 3 . N B 3 . CA B 3 . C 1 1 48 . 1 1 3 TRP N 1 1 3 TRP CA 1 1 3 TRP C 1 1 4 MET N -53.3 -9.3 B 3 . N B 3 . CA B 3 . C B 4 . N 1 1 49 . 1 1 3 TRP C 1 1 4 MET N 1 1 4 MET CA 1 1 4 MET C -96.1 -42.7 B 3 . C B 4 . N B 4 . CA B 4 . C 1 1 50 . 1 1 4 MET N 1 1 4 MET CA 1 1 4 MET C 1 1 5 GLU N -44.999996 2.8 B 4 . N B 4 . CA B 4 . C B 5 . N 1 1 51 . 1 1 4 MET C 1 1 5 GLU N 1 1 5 GLU CA 1 1 5 GLU C -134.5 -68.3 B 4 . C B 5 . N B 5 . CA B 5 . C 1 1 52 . 1 1 6 GLU C 1 1 7 VAL N 1 1 7 VAL CA 1 1 7 VAL C -150.8 -84.2 B 6 . C B 7 . N B 7 . CA B 7 . C 1 1 53 . 1 1 7 VAL N 1 1 7 VAL CA 1 1 7 VAL C 1 1 8 ILE N 99.2 160.6 B 7 . N B 7 . CA B 7 . C B 8 . N 1 1 54 . 1 1 7 VAL C 1 1 8 ILE N 1 1 8 ILE CA 1 1 8 ILE C -142.0 -93.799995 B 7 . C B 8 . N B 8 . CA B 8 . C 1 1 55 . 1 1 8 ILE N 1 1 8 ILE CA 1 1 8 ILE C 1 1 9 LYS N 106.6 171.8 B 8 . N B 8 . CA B 8 . C B 9 . N 1 1 56 . 1 1 8 ILE C 1 1 9 LYS N 1 1 9 LYS CA 1 1 9 LYS C -179.99998 -20.0 B 8 . C B 9 . N B 9 . CA B 9 . C 1 1 57 . 1 1 9 LYS C 1 1 10 LEU N 1 1 10 LEU CA 1 1 10 LEU C -166.7 -103.1 B 9 . C B 10 . N B 10 . CA B 10 . C 1 1 58 . 1 1 10 LEU N 1 1 10 LEU CA 1 1 10 LEU C 1 1 11 CYS N 124.50001 175.1 B 10 . N B 10 . CA B 10 . C B 11 . N 1 1 59 . 1 1 10 LEU C 1 1 11 CYS N 1 1 11 CYS CA 1 1 11 CYS C -161.5 -121.49999 B 10 . C B 11 . N B 11 . CA B 11 . C 1 1 60 . 1 1 11 CYS N 1 1 11 CYS CA 1 1 11 CYS C 1 1 12 GLY N 112.9 168.5 B 11 . N B 11 . CA B 11 . C B 12 . N 1 1 61 . 1 1 12 GLY C 1 1 13 ARG N 1 1 13 ARG CA 1 1 13 ARG C -78.4 -38.4 B 12 . C B 13 . N B 13 . CA B 13 . C 1 1 62 . 1 1 13 ARG N 1 1 13 ARG CA 1 1 13 ARG C 1 1 14 GLU N -57.0 -10.4 B 13 . N B 13 . CA B 13 . C B 14 . N 1 1 63 . 1 1 13 ARG C 1 1 14 GLU N 1 1 14 GLU CA 1 1 14 GLU C -83.5 -43.5 B 13 . C B 14 . N B 14 . CA B 14 . C 1 1 64 . 1 1 14 GLU N 1 1 14 GLU CA 1 1 14 GLU C 1 1 15 LEU N -59.7 -19.7 B 14 . N B 14 . CA B 14 . C B 15 . N 1 1 65 . 1 1 14 GLU C 1 1 15 LEU N 1 1 15 LEU CA 1 1 15 LEU C -102.2 -57.8 B 14 . C B 15 . N B 15 . CA B 15 . C 1 1 66 . 1 1 15 LEU N 1 1 15 LEU CA 1 1 15 LEU C 1 1 16 VAL N -39.799995 4.2 B 15 . N B 15 . CA B 15 . C B 16 . N 1 1 67 . 1 1 15 LEU C 1 1 16 VAL N 1 1 16 VAL CA 1 1 16 VAL C -179.99998 -20.0 B 15 . C B 16 . N B 16 . CA B 16 . C 1 1 68 . 1 1 16 VAL C 1 1 17 ARG N 1 1 17 ARG CA 1 1 17 ARG C -85.2 -45.2 B 16 . C B 17 . N B 17 . CA B 17 . C 1 1 69 . 1 1 17 ARG N 1 1 17 ARG CA 1 1 17 ARG C 1 1 18 ALA N -57.1 -5.5 B 17 . N B 17 . CA B 17 . C B 18 . N 1 1 70 . 1 1 17 ARG C 1 1 18 ALA N 1 1 18 ALA CA 1 1 18 ALA C -92.0 -44.2 B 17 . C B 18 . N B 18 . CA B 18 . C 1 1 71 . 1 1 18 ALA N 1 1 18 ALA CA 1 1 18 ALA C 1 1 19 GLN N -60.299995 -20.3 B 18 . N B 18 . CA B 18 . C B 19 . N 1 1 72 . 1 1 18 ALA C 1 1 19 GLN N 1 1 19 GLN CA 1 1 19 GLN C -85.4 -45.4 B 18 . C B 19 . N B 19 . CA B 19 . C 1 1 73 . 1 1 19 GLN N 1 1 19 GLN CA 1 1 19 GLN C 1 1 20 ILE N -61.1 -21.1 B 19 . N B 19 . CA B 19 . C B 20 . N 1 1 74 . 1 1 19 GLN C 1 1 20 ILE N 1 1 20 ILE CA 1 1 20 ILE C -87.3 -43.9 B 19 . C B 20 . N B 20 . CA B 20 . C 1 1 75 . 1 1 20 ILE N 1 1 20 ILE CA 1 1 20 ILE C 1 1 21 ALA N -57.500004 -17.5 B 20 . N B 20 . CA B 20 . C B 21 . N 1 1 76 . 1 1 20 ILE C 1 1 21 ALA N 1 1 21 ALA CA 1 1 21 ALA C -82.1 -42.1 B 20 . C B 21 . N B 21 . CA B 21 . C 1 1 77 . 1 1 21 ALA N 1 1 21 ALA CA 1 1 21 ALA C 1 1 22 ILE N -60.299995 -20.3 B 21 . N B 21 . CA B 21 . C B 22 . N 1 1 78 . 1 1 21 ALA C 1 1 22 ILE N 1 1 22 ILE CA 1 1 22 ILE C -88.4 -48.4 B 21 . C B 22 . N B 22 . CA B 22 . C 1 1 79 . 1 1 22 ILE N 1 1 22 ILE CA 1 1 22 ILE C 1 1 23 CYS N -63.2 -22.8 B 22 . N B 22 . CA B 22 . C B 23 . N 1 1 80 . 1 1 22 ILE C 1 1 23 CYS N 1 1 23 CYS CA 1 1 23 CYS C -116.30001 -76.3 B 22 . C B 23 . N B 23 . CA B 23 . C 1 1 81 . 1 1 23 CYS N 1 1 23 CYS CA 1 1 23 CYS C 1 1 24 GLY N -22.1 22.7 B 23 . N B 23 . CA B 23 . C B 24 . N 1 1 82 . 1 1 24 GLY C 1 1 25 MET N 1 1 25 MET CA 1 1 25 MET C -179.99998 -20.0 B 24 . C B 25 . N B 25 . CA B 25 . C 1 1 83 . 1 1 25 MET C 1 1 26 SER N 1 1 26 SER CA 1 1 26 SER C -179.99998 -20.0 B 25 . C B 26 . N B 26 . CA B 26 . C 1 1 84 . 1 1 26 SER C 1 1 27 THR N 1 1 27 THR CA 1 1 27 THR C -179.99998 -20.0 B 26 . C B 27 . N B 27 . CA B 27 . C 1 1 85 . 1 1 27 THR C 1 1 28 TRP N 1 1 28 TRP CA 1 1 28 TRP C -179.99998 -20.0 B 27 . C B 28 . N B 28 . CA B 28 . C 1 1 86 . 1 1 28 TRP C 1 1 29 SER N 1 1 29 SER CA 1 1 29 SER C -179.99998 -20.0 B 28 . C B 29 . N B 29 . CA B 29 . C 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 ASP C C 11.442 -2.065 1.158 1.00 . A B . 1 ASP C 1 1 1 2 1 1 1 ASP CA C 10.645 -1.940 2.432 1.00 . A B . 1 ASP CA 1 1 1 3 1 1 1 ASP CB C 10.443 -0.447 2.781 1.00 . A B . 1 ASP CB 1 1 1 4 1 1 1 ASP CG C 11.732 0.333 2.952 1.00 . A B . 1 ASP CG 1 1 1 5 1 1 1 ASP H1 H 10.819 -2.598 4.417 1.00 . A B . 1 ASP H1 1 1 1 6 1 1 1 ASP H2 H 12.302 -2.386 3.583 1.00 . A B . 1 ASP H2 1 1 1 7 1 1 1 ASP H3 H 11.325 -3.683 3.230 1.00 . A B . 1 ASP H3 1 1 1 8 1 1 1 ASP HA H 9.682 -2.399 2.263 1.00 . A B . 1 ASP HA 1 1 1 9 1 1 1 ASP HB2 H 9.879 0.023 1.988 1.00 . A B . 1 ASP HB2 1 1 1 10 1 1 1 ASP HB3 H 9.874 -0.376 3.696 1.00 . A B . 1 ASP HB3 1 1 1 11 1 1 1 ASP N N 11.310 -2.680 3.505 1.00 . A B . 1 ASP N 1 1 1 12 1 1 1 ASP O O 12.672 -2.210 1.195 1.00 . A B . 1 ASP O 1 1 1 13 1 1 1 ASP OD1 O 12.285 0.839 1.961 1.00 . A B . 1 ASP OD1 1 1 1 14 1 1 1 ASP OD2 O 12.220 0.443 4.095 1.00 . A B . 1 ASP OD2 1 1 1 15 1 1 2 SER C C 10.404 -1.513 -2.289 1.00 . A B . 2 SER C 1 1 1 16 1 1 2 SER CA C 11.344 -2.099 -1.253 1.00 . A B . 2 SER CA 1 1 1 17 1 1 2 SER CB C 11.841 -3.500 -1.612 1.00 . A B . 2 SER CB 1 1 1 18 1 1 2 SER H H 9.762 -2.037 0.100 1.00 . A B . 2 SER H 1 1 1 19 1 1 2 SER HA H 12.194 -1.434 -1.197 1.00 . A B . 2 SER HA 1 1 1 20 1 1 2 SER HB2 H 11.911 -3.556 -2.688 1.00 . A B . 2 SER HB2 1 1 1 21 1 1 2 SER HB3 H 12.819 -3.630 -1.175 1.00 . A B . 2 SER HB3 1 1 1 22 1 1 2 SER HG H 11.351 -4.872 -0.350 1.00 . A B . 2 SER HG 1 1 1 23 1 1 2 SER N N 10.748 -2.059 0.052 1.00 . A B . 2 SER N 1 1 1 24 1 1 2 SER O O 9.444 -2.149 -2.729 1.00 . A B . 2 SER O 1 1 1 25 1 1 2 SER OG O 10.962 -4.523 -1.161 1.00 . A B . 2 SER OG 1 1 1 26 1 1 3 TRP C C 9.795 -0.018 -4.978 1.00 . A B . 3 TRP C 1 1 1 27 1 1 3 TRP CA C 9.836 0.507 -3.548 1.00 . A B . 3 TRP CA 1 1 1 28 1 1 3 TRP CB C 10.230 1.997 -3.535 1.00 . A B . 3 TRP CB 1 1 1 29 1 1 3 TRP CD1 C 10.918 3.807 -1.841 1.00 . A B . 3 TRP CD1 1 1 1 30 1 1 3 TRP CD2 C 9.495 2.299 -0.968 1.00 . A B . 3 TRP CD2 1 1 1 31 1 1 3 TRP CE2 C 9.813 3.251 0.019 1.00 . A B . 3 TRP CE2 1 1 1 32 1 1 3 TRP CE3 C 8.617 1.259 -0.627 1.00 . A B . 3 TRP CE3 1 1 1 33 1 1 3 TRP CG C 10.216 2.683 -2.174 1.00 . A B . 3 TRP CG 1 1 1 34 1 1 3 TRP CH2 C 8.440 2.170 1.600 1.00 . A B . 3 TRP CH2 1 1 1 35 1 1 3 TRP CZ2 C 9.289 3.194 1.306 1.00 . A B . 3 TRP CZ2 1 1 1 36 1 1 3 TRP CZ3 C 8.106 1.209 0.645 1.00 . A B . 3 TRP CZ3 1 1 1 37 1 1 3 TRP H H 11.528 0.090 -2.306 1.00 . A B . 3 TRP H 1 1 1 38 1 1 3 TRP HA H 8.827 0.429 -3.175 1.00 . A B . 3 TRP HA 1 1 1 39 1 1 3 TRP HB2 H 11.232 2.092 -3.929 1.00 . A B . 3 TRP HB2 1 1 1 40 1 1 3 TRP HB3 H 9.556 2.534 -4.186 1.00 . A B . 3 TRP HB3 1 1 1 41 1 1 3 TRP HD1 H 11.562 4.342 -2.523 1.00 . A B . 3 TRP HD1 1 1 1 42 1 1 3 TRP HE1 H 11.048 4.933 -0.067 1.00 . A B . 3 TRP HE1 1 1 1 43 1 1 3 TRP HE3 H 8.332 0.494 -1.334 1.00 . A B . 3 TRP HE3 1 1 1 44 1 1 3 TRP HH2 H 8.013 2.087 2.589 1.00 . A B . 3 TRP HH2 1 1 1 45 1 1 3 TRP HZ2 H 9.540 3.927 2.057 1.00 . A B . 3 TRP HZ2 1 1 1 46 1 1 3 TRP HZ3 H 7.429 0.406 0.903 1.00 . A B . 3 TRP HZ3 1 1 1 47 1 1 3 TRP N N 10.697 -0.288 -2.663 1.00 . A B . 3 TRP N 1 1 1 48 1 1 3 TRP NE1 N 10.671 4.155 -0.538 1.00 . A B . 3 TRP NE1 1 1 1 49 1 1 3 TRP O O 8.947 0.398 -5.768 1.00 . A B . 3 TRP O 1 1 1 50 1 1 4 MET C C 9.598 -2.515 -6.774 1.00 . A B . 4 MET C 1 1 1 51 1 1 4 MET CA C 10.694 -1.487 -6.652 1.00 . A B . 4 MET CA 1 1 1 52 1 1 4 MET CB C 12.047 -2.107 -7.040 1.00 . A B . 4 MET CB 1 1 1 53 1 1 4 MET CE C 13.203 -4.043 -10.563 1.00 . A B . 4 MET CE 1 1 1 54 1 1 4 MET CG C 12.046 -2.707 -8.447 1.00 . A B . 4 MET CG 1 1 1 55 1 1 4 MET H H 11.389 -1.160 -4.669 1.00 . A B . 4 MET H 1 1 1 56 1 1 4 MET HA H 10.467 -0.686 -7.340 1.00 . A B . 4 MET HA 1 1 1 57 1 1 4 MET HB2 H 12.814 -1.349 -6.989 1.00 . A B . 4 MET HB2 1 1 1 58 1 1 4 MET HB3 H 12.281 -2.894 -6.339 1.00 . A B . 4 MET HB3 1 1 1 59 1 1 4 MET HE1 H 14.080 -4.478 -11.016 1.00 . A B . 4 MET HE1 1 1 1 60 1 1 4 MET HE2 H 12.836 -3.243 -11.188 1.00 . A B . 4 MET HE2 1 1 1 61 1 1 4 MET HE3 H 12.437 -4.799 -10.459 1.00 . A B . 4 MET HE3 1 1 1 62 1 1 4 MET HG2 H 11.311 -3.497 -8.483 1.00 . A B . 4 MET HG2 1 1 1 63 1 1 4 MET HG3 H 11.765 -1.935 -9.147 1.00 . A B . 4 MET HG3 1 1 1 64 1 1 4 MET N N 10.703 -0.911 -5.323 1.00 . A B . 4 MET N 1 1 1 65 1 1 4 MET O O 9.013 -2.684 -7.839 1.00 . A B . 4 MET O 1 1 1 66 1 1 4 MET SD S 13.634 -3.393 -8.946 1.00 . A B . 4 MET SD 1 1 1 67 1 1 5 GLU C C 7.334 -4.132 -4.546 1.00 . A B . 5 GLU C 1 1 1 68 1 1 5 GLU CA C 8.296 -4.213 -5.722 1.00 . A B . 5 GLU CA 1 1 1 69 1 1 5 GLU CB C 8.908 -5.619 -5.853 1.00 . A B . 5 GLU CB 1 1 1 70 1 1 5 GLU CD C 10.167 -7.286 -7.256 1.00 . A B . 5 GLU CD 1 1 1 71 1 1 5 GLU CG C 9.576 -5.905 -7.191 1.00 . A B . 5 GLU CG 1 1 1 72 1 1 5 GLU H H 9.716 -2.961 -4.831 1.00 . A B . 5 GLU H 1 1 1 73 1 1 5 GLU HA H 7.714 -4.025 -6.612 1.00 . A B . 5 GLU HA 1 1 1 74 1 1 5 GLU HB2 H 9.653 -5.737 -5.080 1.00 . A B . 5 GLU HB2 1 1 1 75 1 1 5 GLU HB3 H 8.127 -6.347 -5.695 1.00 . A B . 5 GLU HB3 1 1 1 76 1 1 5 GLU HG2 H 8.842 -5.808 -7.977 1.00 . A B . 5 GLU HG2 1 1 1 77 1 1 5 GLU HG3 H 10.364 -5.183 -7.345 1.00 . A B . 5 GLU HG3 1 1 1 78 1 1 5 GLU N N 9.296 -3.189 -5.689 1.00 . A B . 5 GLU N 1 1 1 79 1 1 5 GLU O O 6.459 -3.256 -4.518 1.00 . A B . 5 GLU O 1 1 1 80 1 1 5 GLU OE1 O 9.390 -8.282 -7.274 1.00 . A B . 5 GLU OE1 1 1 1 81 1 1 5 GLU OE2 O 11.403 -7.413 -7.299 1.00 . A B . 5 GLU OE2 1 1 1 82 1 1 6 GLU C C 5.245 -5.507 -2.715 1.00 . A B . 6 GLU C 1 1 1 83 1 1 6 GLU CA C 6.699 -5.198 -2.398 1.00 . A B . 6 GLU CA 1 1 1 84 1 1 6 GLU CB C 6.790 -4.124 -1.323 1.00 . A B . 6 GLU CB 1 1 1 85 1 1 6 GLU CD C 7.790 -3.407 0.857 1.00 . A B . 6 GLU CD 1 1 1 86 1 1 6 GLU CG C 7.959 -4.245 -0.386 1.00 . A B . 6 GLU CG 1 1 1 87 1 1 6 GLU H H 8.372 -5.553 -3.607 1.00 . A B . 6 GLU H 1 1 1 88 1 1 6 GLU HA H 7.079 -6.109 -1.964 1.00 . A B . 6 GLU HA 1 1 1 89 1 1 6 GLU HB2 H 6.882 -3.172 -1.823 1.00 . A B . 6 GLU HB2 1 1 1 90 1 1 6 GLU HB3 H 5.875 -4.122 -0.751 1.00 . A B . 6 GLU HB3 1 1 1 91 1 1 6 GLU HG2 H 8.055 -5.277 -0.084 1.00 . A B . 6 GLU HG2 1 1 1 92 1 1 6 GLU HG3 H 8.857 -3.931 -0.896 1.00 . A B . 6 GLU HG3 1 1 1 93 1 1 6 GLU N N 7.565 -5.002 -3.557 1.00 . A B . 6 GLU N 1 1 1 94 1 1 6 GLU O O 4.539 -4.757 -3.376 1.00 . A B . 6 GLU O 1 1 1 95 1 1 6 GLU OE1 O 8.016 -2.183 0.819 1.00 . A B . 6 GLU OE1 1 1 1 96 1 1 6 GLU OE2 O 7.453 -3.972 1.925 1.00 . A B . 6 GLU OE2 1 1 1 97 1 1 7 VAL C C 3.017 -7.312 -0.877 1.00 . A B . 7 VAL C 1 1 1 98 1 1 7 VAL CA C 3.440 -6.989 -2.285 1.00 . A B . 7 VAL CA 1 1 1 99 1 1 7 VAL CB C 3.153 -8.166 -3.285 1.00 . A B . 7 VAL CB 1 1 1 100 1 1 7 VAL CG1 C 4.043 -9.371 -3.028 1.00 . A B . 7 VAL CG1 1 1 1 101 1 1 7 VAL CG2 C 1.676 -8.570 -3.238 1.00 . A B . 7 VAL CG2 1 1 1 102 1 1 7 VAL H H 5.446 -7.194 -1.759 1.00 . A B . 7 VAL H 1 1 1 103 1 1 7 VAL HA H 2.891 -6.109 -2.586 1.00 . A B . 7 VAL HA 1 1 1 104 1 1 7 VAL HB H 3.366 -7.809 -4.282 1.00 . A B . 7 VAL HB 1 1 1 105 1 1 7 VAL HG11 H 3.806 -10.151 -3.736 1.00 . A B . 7 VAL HG11 1 1 1 106 1 1 7 VAL HG12 H 3.885 -9.730 -2.023 1.00 . A B . 7 VAL HG12 1 1 1 107 1 1 7 VAL HG13 H 5.077 -9.079 -3.148 1.00 . A B . 7 VAL HG13 1 1 1 108 1 1 7 VAL HG21 H 1.504 -9.405 -3.900 1.00 . A B . 7 VAL HG21 1 1 1 109 1 1 7 VAL HG22 H 1.060 -7.735 -3.537 1.00 . A B . 7 VAL HG22 1 1 1 110 1 1 7 VAL HG23 H 1.416 -8.856 -2.229 1.00 . A B . 7 VAL HG23 1 1 1 111 1 1 7 VAL N N 4.814 -6.605 -2.227 1.00 . A B . 7 VAL N 1 1 1 112 1 1 7 VAL O O 3.592 -8.181 -0.228 1.00 . A B . 7 VAL O 1 1 1 113 1 1 8 ILE C C 0.264 -7.183 1.086 1.00 . A B . 8 ILE C 1 1 1 114 1 1 8 ILE CA C 1.696 -6.728 0.990 1.00 . A B . 8 ILE CA 1 1 1 115 1 1 8 ILE CB C 1.871 -5.414 1.799 1.00 . A B . 8 ILE CB 1 1 1 116 1 1 8 ILE CD1 C 1.026 -2.993 1.989 1.00 . A B . 8 ILE CD1 1 1 1 117 1 1 8 ILE CG1 C 0.913 -4.331 1.283 1.00 . A B . 8 ILE CG1 1 1 1 118 1 1 8 ILE CG2 C 3.326 -4.938 1.749 1.00 . A B . 8 ILE CG2 1 1 1 119 1 1 8 ILE H H 1.614 -5.930 -0.951 1.00 . A B . 8 ILE H 1 1 1 120 1 1 8 ILE HA H 2.332 -7.480 1.431 1.00 . A B . 8 ILE HA 1 1 1 121 1 1 8 ILE HB H 1.635 -5.635 2.827 1.00 . A B . 8 ILE HB 1 1 1 122 1 1 8 ILE HD11 H 2.028 -2.609 1.874 1.00 . A B . 8 ILE HD11 1 1 1 123 1 1 8 ILE HD12 H 0.809 -3.125 3.039 1.00 . A B . 8 ILE HD12 1 1 1 124 1 1 8 ILE HD13 H 0.321 -2.297 1.560 1.00 . A B . 8 ILE HD13 1 1 1 125 1 1 8 ILE HG12 H 1.098 -4.204 0.230 1.00 . A B . 8 ILE HG12 1 1 1 126 1 1 8 ILE HG13 H -0.098 -4.692 1.404 1.00 . A B . 8 ILE HG13 1 1 1 127 1 1 8 ILE HG21 H 3.611 -4.764 0.722 1.00 . A B . 8 ILE HG21 1 1 1 128 1 1 8 ILE HG22 H 3.962 -5.697 2.176 1.00 . A B . 8 ILE HG22 1 1 1 129 1 1 8 ILE HG23 H 3.425 -4.022 2.314 1.00 . A B . 8 ILE HG23 1 1 1 130 1 1 8 ILE N N 2.085 -6.575 -0.376 1.00 . A B . 8 ILE N 1 1 1 131 1 1 8 ILE O O -0.501 -7.094 0.121 1.00 . A B . 8 ILE O 1 1 1 132 1 1 9 LYS C C -1.867 -7.447 3.837 1.00 . A B . 9 LYS C 1 1 1 133 1 1 9 LYS CA C -1.412 -8.110 2.549 1.00 . A B . 9 LYS CA 1 1 1 134 1 1 9 LYS CB C -1.465 -9.642 2.684 1.00 . A B . 9 LYS CB 1 1 1 135 1 1 9 LYS CD C -1.223 -11.918 1.577 1.00 . A B . 9 LYS CD 1 1 1 136 1 1 9 LYS CE C -2.476 -12.489 2.254 1.00 . A B . 9 LYS CE 1 1 1 137 1 1 9 LYS CG C -1.277 -10.398 1.375 1.00 . A B . 9 LYS CG 1 1 1 138 1 1 9 LYS H H 0.619 -7.657 2.926 1.00 . A B . 9 LYS H 1 1 1 139 1 1 9 LYS HA H -2.048 -7.799 1.731 1.00 . A B . 9 LYS HA 1 1 1 140 1 1 9 LYS HB2 H -0.684 -9.948 3.362 1.00 . A B . 9 LYS HB2 1 1 1 141 1 1 9 LYS HB3 H -2.419 -9.917 3.107 1.00 . A B . 9 LYS HB3 1 1 1 142 1 1 9 LYS HD2 H -1.118 -12.387 0.610 1.00 . A B . 9 LYS HD2 1 1 1 143 1 1 9 LYS HD3 H -0.357 -12.155 2.178 1.00 . A B . 9 LYS HD3 1 1 1 144 1 1 9 LYS HE2 H -2.361 -13.559 2.340 1.00 . A B . 9 LYS HE2 1 1 1 145 1 1 9 LYS HE3 H -2.559 -12.065 3.243 1.00 . A B . 9 LYS HE3 1 1 1 146 1 1 9 LYS HG2 H -2.104 -10.169 0.718 1.00 . A B . 9 LYS HG2 1 1 1 147 1 1 9 LYS HG3 H -0.355 -10.071 0.917 1.00 . A B . 9 LYS HG3 1 1 1 148 1 1 9 LYS HZ1 H -4.502 -12.721 1.942 1.00 . A B . 9 LYS HZ1 1 1 1 149 1 1 9 LYS HZ2 H -3.653 -12.523 0.508 1.00 . A B . 9 LYS HZ2 1 1 1 150 1 1 9 LYS HZ3 H -3.972 -11.203 1.551 1.00 . A B . 9 LYS HZ3 1 1 1 151 1 1 9 LYS N N -0.079 -7.650 2.238 1.00 . A B . 9 LYS N 1 1 1 152 1 1 9 LYS NZ N -3.715 -12.207 1.496 1.00 . A B . 9 LYS NZ 1 1 1 153 1 1 9 LYS O O -1.781 -8.029 4.931 1.00 . A B . 9 LYS O 1 1 1 154 1 1 10 LEU C C -4.061 -4.958 4.662 1.00 . A B . 10 LEU C 1 1 1 155 1 1 10 LEU CA C -2.663 -5.410 4.858 1.00 . A B . 10 LEU CA 1 1 1 156 1 1 10 LEU CB C -1.752 -4.192 5.109 1.00 . A B . 10 LEU CB 1 1 1 157 1 1 10 LEU CD1 C 0.409 -5.493 5.404 1.00 . A B . 10 LEU CD1 1 1 1 158 1 1 10 LEU CD2 C 0.298 -3.121 6.080 1.00 . A B . 10 LEU CD2 1 1 1 159 1 1 10 LEU CG C -0.486 -4.409 5.962 1.00 . A B . 10 LEU CG 1 1 1 160 1 1 10 LEU H H -2.254 -5.793 2.836 1.00 . A B . 10 LEU H 1 1 1 161 1 1 10 LEU HA H -2.648 -6.035 5.738 1.00 . A B . 10 LEU HA 1 1 1 162 1 1 10 LEU HB2 H -1.472 -3.783 4.152 1.00 . A B . 10 LEU HB2 1 1 1 163 1 1 10 LEU HB3 H -2.358 -3.446 5.604 1.00 . A B . 10 LEU HB3 1 1 1 164 1 1 10 LEU HD11 H 0.714 -5.196 4.415 1.00 . A B . 10 LEU HD11 1 1 1 165 1 1 10 LEU HD12 H -0.138 -6.423 5.353 1.00 . A B . 10 LEU HD12 1 1 1 166 1 1 10 LEU HD13 H 1.279 -5.613 6.031 1.00 . A B . 10 LEU HD13 1 1 1 167 1 1 10 LEU HD21 H 1.182 -3.288 6.676 1.00 . A B . 10 LEU HD21 1 1 1 168 1 1 10 LEU HD22 H -0.312 -2.361 6.546 1.00 . A B . 10 LEU HD22 1 1 1 169 1 1 10 LEU HD23 H 0.589 -2.786 5.097 1.00 . A B . 10 LEU HD23 1 1 1 170 1 1 10 LEU HG H -0.826 -4.680 6.951 1.00 . A B . 10 LEU HG 1 1 1 171 1 1 10 LEU N N -2.231 -6.203 3.724 1.00 . A B . 10 LEU N 1 1 1 172 1 1 10 LEU O O -4.645 -5.165 3.595 1.00 . A B . 10 LEU O 1 1 1 173 1 1 11 CYS C C -6.066 -2.657 6.525 1.00 . A B . 11 CYS C 1 1 1 174 1 1 11 CYS CA C -5.947 -3.880 5.636 1.00 . A B . 11 CYS CA 1 1 1 175 1 1 11 CYS CB C -6.852 -4.951 6.237 1.00 . A B . 11 CYS CB 1 1 1 176 1 1 11 CYS H H -4.034 -4.161 6.457 1.00 . A B . 11 CYS H 1 1 1 177 1 1 11 CYS HA H -6.256 -3.682 4.621 1.00 . A B . 11 CYS HA 1 1 1 178 1 1 11 CYS HB2 H -6.439 -5.014 7.227 1.00 . A B . 11 CYS HB2 1 1 1 179 1 1 11 CYS HB3 H -7.875 -4.610 6.279 1.00 . A B . 11 CYS HB3 1 1 1 180 1 1 11 CYS N N -4.585 -4.331 5.656 1.00 . A B . 11 CYS N 1 1 1 181 1 1 11 CYS O O -5.126 -2.351 7.287 1.00 . A B . 11 CYS O 1 1 1 182 1 1 11 CYS SG S -6.774 -6.643 5.515 1.00 . A B . 11 CYS SG 1 1 1 183 1 1 12 GLY C C -6.517 0.136 7.609 1.00 . A B . 12 GLY C 1 1 1 184 1 1 12 GLY CA C -7.579 -0.867 7.266 1.00 . A B . 12 GLY CA 1 1 1 185 1 1 12 GLY H H -7.779 -2.190 5.642 1.00 . A B . 12 GLY H 1 1 1 186 1 1 12 GLY HA2 H -8.394 -0.316 6.831 1.00 . A B . 12 GLY HA2 1 1 1 187 1 1 12 GLY HA3 H -7.945 -1.300 8.185 1.00 . A B . 12 GLY HA3 1 1 1 188 1 1 12 GLY N N -7.183 -1.959 6.389 1.00 . A B . 12 GLY N 1 1 1 189 1 1 12 GLY O O -5.935 0.788 6.749 1.00 . A B . 12 GLY O 1 1 1 190 1 1 13 ARG C C -3.891 0.843 9.107 1.00 . A B . 13 ARG C 1 1 1 191 1 1 13 ARG CA C -5.337 1.207 9.415 1.00 . A B . 13 ARG CA 1 1 1 192 1 1 13 ARG CB C -5.556 1.373 10.919 1.00 . A B . 13 ARG CB 1 1 1 193 1 1 13 ARG CD C -5.588 0.318 13.183 1.00 . A B . 13 ARG CD 1 1 1 194 1 1 13 ARG CG C -5.119 0.189 11.757 1.00 . A B . 13 ARG CG 1 1 1 195 1 1 13 ARG CZ C -7.710 -0.814 13.799 1.00 . A B . 13 ARG CZ 1 1 1 196 1 1 13 ARG H H -6.726 -0.411 9.449 1.00 . A B . 13 ARG H 1 1 1 197 1 1 13 ARG HA H -5.546 2.152 8.933 1.00 . A B . 13 ARG HA 1 1 1 198 1 1 13 ARG HB2 H -5.016 2.242 11.262 1.00 . A B . 13 ARG HB2 1 1 1 199 1 1 13 ARG HB3 H -6.610 1.530 11.089 1.00 . A B . 13 ARG HB3 1 1 1 200 1 1 13 ARG HD2 H -5.144 -0.457 13.786 1.00 . A B . 13 ARG HD2 1 1 1 201 1 1 13 ARG HD3 H -5.278 1.282 13.560 1.00 . A B . 13 ARG HD3 1 1 1 202 1 1 13 ARG HE H -7.510 1.034 12.947 1.00 . A B . 13 ARG HE 1 1 1 203 1 1 13 ARG HG2 H -5.530 -0.713 11.336 1.00 . A B . 13 ARG HG2 1 1 1 204 1 1 13 ARG HG3 H -4.040 0.132 11.743 1.00 . A B . 13 ARG HG3 1 1 1 205 1 1 13 ARG HH11 H -6.052 -1.989 14.112 1.00 . A B . 13 ARG HH11 1 1 1 206 1 1 13 ARG HH12 H -7.527 -2.698 14.580 1.00 . A B . 13 ARG HH12 1 1 1 207 1 1 13 ARG HH21 H -9.580 0.005 13.592 1.00 . A B . 13 ARG HH21 1 1 1 208 1 1 13 ARG HH22 H -9.539 -1.552 14.302 1.00 . A B . 13 ARG HH22 1 1 1 209 1 1 13 ARG N N -6.257 0.231 8.873 1.00 . A B . 13 ARG N 1 1 1 210 1 1 13 ARG NE N -7.043 0.231 13.278 1.00 . A B . 13 ARG NE 1 1 1 211 1 1 13 ARG NH1 N -7.049 -1.906 14.191 1.00 . A B . 13 ARG NH1 1 1 1 212 1 1 13 ARG NH2 N -9.038 -0.779 13.900 1.00 . A B . 13 ARG NH2 1 1 1 213 1 1 13 ARG O O -3.059 1.720 8.948 1.00 . A B . 13 ARG O 1 1 1 214 1 1 14 GLU C C -1.954 -0.527 7.228 1.00 . A B . 14 GLU C 1 1 1 215 1 1 14 GLU CA C -2.250 -0.876 8.652 1.00 . A B . 14 GLU CA 1 1 1 216 1 1 14 GLU CB C -2.085 -2.372 8.860 1.00 . A B . 14 GLU CB 1 1 1 217 1 1 14 GLU CD C -1.957 -4.308 10.451 1.00 . A B . 14 GLU CD 1 1 1 218 1 1 14 GLU CG C -2.182 -2.823 10.299 1.00 . A B . 14 GLU CG 1 1 1 219 1 1 14 GLU H H -4.311 -1.137 8.982 1.00 . A B . 14 GLU H 1 1 1 220 1 1 14 GLU HA H -1.554 -0.339 9.284 1.00 . A B . 14 GLU HA 1 1 1 221 1 1 14 GLU HB2 H -2.860 -2.874 8.300 1.00 . A B . 14 GLU HB2 1 1 1 222 1 1 14 GLU HB3 H -1.128 -2.667 8.461 1.00 . A B . 14 GLU HB3 1 1 1 223 1 1 14 GLU HG2 H -1.430 -2.300 10.871 1.00 . A B . 14 GLU HG2 1 1 1 224 1 1 14 GLU HG3 H -3.160 -2.572 10.677 1.00 . A B . 14 GLU HG3 1 1 1 225 1 1 14 GLU N N -3.604 -0.452 8.954 1.00 . A B . 14 GLU N 1 1 1 226 1 1 14 GLU O O -0.828 -0.184 6.871 1.00 . A B . 14 GLU O 1 1 1 227 1 1 14 GLU OE1 O -0.787 -4.746 10.472 1.00 . A B . 14 GLU OE1 1 1 1 228 1 1 14 GLU OE2 O -2.945 -5.074 10.572 1.00 . A B . 14 GLU OE2 1 1 1 229 1 1 15 LEU C C -2.588 1.215 4.882 1.00 . A B . 15 LEU C 1 1 1 230 1 1 15 LEU CA C -2.912 -0.264 5.033 1.00 . A B . 15 LEU CA 1 1 1 231 1 1 15 LEU CB C -4.258 -0.543 4.385 1.00 . A B . 15 LEU CB 1 1 1 232 1 1 15 LEU CD1 C -3.576 -2.207 2.732 1.00 . A B . 15 LEU CD1 1 1 1 233 1 1 15 LEU CD2 C -5.637 -0.899 2.360 1.00 . A B . 15 LEU CD2 1 1 1 234 1 1 15 LEU CG C -4.237 -0.871 2.917 1.00 . A B . 15 LEU CG 1 1 1 235 1 1 15 LEU H H -3.850 -0.862 6.820 1.00 . A B . 15 LEU H 1 1 1 236 1 1 15 LEU HA H -2.154 -0.872 4.566 1.00 . A B . 15 LEU HA 1 1 1 237 1 1 15 LEU HB2 H -4.715 -1.370 4.908 1.00 . A B . 15 LEU HB2 1 1 1 238 1 1 15 LEU HB3 H -4.880 0.328 4.527 1.00 . A B . 15 LEU HB3 1 1 1 239 1 1 15 LEU HD11 H -2.541 -2.159 3.032 1.00 . A B . 15 LEU HD11 1 1 1 240 1 1 15 LEU HD12 H -3.654 -2.529 1.704 1.00 . A B . 15 LEU HD12 1 1 1 241 1 1 15 LEU HD13 H -4.089 -2.916 3.377 1.00 . A B . 15 LEU HD13 1 1 1 242 1 1 15 LEU HD21 H -6.103 0.065 2.495 1.00 . A B . 15 LEU HD21 1 1 1 243 1 1 15 LEU HD22 H -6.207 -1.656 2.879 1.00 . A B . 15 LEU HD22 1 1 1 244 1 1 15 LEU HD23 H -5.589 -1.137 1.307 1.00 . A B . 15 LEU HD23 1 1 1 245 1 1 15 LEU HG H -3.664 -0.126 2.384 1.00 . A B . 15 LEU HG 1 1 1 246 1 1 15 LEU N N -2.995 -0.576 6.430 1.00 . A B . 15 LEU N 1 1 1 247 1 1 15 LEU O O -1.715 1.586 4.116 1.00 . A B . 15 LEU O 1 1 1 248 1 1 16 VAL C C -1.619 3.769 6.257 1.00 . A B . 16 VAL C 1 1 1 249 1 1 16 VAL CA C -3.006 3.477 5.710 1.00 . A B . 16 VAL CA 1 1 1 250 1 1 16 VAL CB C -4.086 4.228 6.545 1.00 . A B . 16 VAL CB 1 1 1 251 1 1 16 VAL CG1 C -3.852 5.734 6.537 1.00 . A B . 16 VAL CG1 1 1 1 252 1 1 16 VAL CG2 C -5.472 3.919 6.017 1.00 . A B . 16 VAL CG2 1 1 1 253 1 1 16 VAL H H -3.900 1.647 6.312 1.00 . A B . 16 VAL H 1 1 1 254 1 1 16 VAL HA H -3.024 3.840 4.690 1.00 . A B . 16 VAL HA 1 1 1 255 1 1 16 VAL HB H -4.027 3.880 7.566 1.00 . A B . 16 VAL HB 1 1 1 256 1 1 16 VAL HG11 H -4.609 6.213 7.141 1.00 . A B . 16 VAL HG11 1 1 1 257 1 1 16 VAL HG12 H -3.912 6.102 5.524 1.00 . A B . 16 VAL HG12 1 1 1 258 1 1 16 VAL HG13 H -2.875 5.950 6.943 1.00 . A B . 16 VAL HG13 1 1 1 259 1 1 16 VAL HG21 H -5.665 2.859 6.103 1.00 . A B . 16 VAL HG21 1 1 1 260 1 1 16 VAL HG22 H -5.537 4.214 4.981 1.00 . A B . 16 VAL HG22 1 1 1 261 1 1 16 VAL HG23 H -6.204 4.468 6.592 1.00 . A B . 16 VAL HG23 1 1 1 262 1 1 16 VAL N N -3.232 2.033 5.705 1.00 . A B . 16 VAL N 1 1 1 263 1 1 16 VAL O O -0.926 4.636 5.749 1.00 . A B . 16 VAL O 1 1 1 264 1 1 17 ARG C C 1.189 2.889 6.758 1.00 . A B . 17 ARG C 1 1 1 265 1 1 17 ARG CA C 0.141 3.132 7.828 1.00 . A B . 17 ARG CA 1 1 1 266 1 1 17 ARG CB C 0.366 2.185 9.010 1.00 . A B . 17 ARG CB 1 1 1 267 1 1 17 ARG CD C 0.153 1.735 11.456 1.00 . A B . 17 ARG CD 1 1 1 268 1 1 17 ARG CG C -0.334 2.579 10.293 1.00 . A B . 17 ARG CG 1 1 1 269 1 1 17 ARG CZ C 2.269 1.512 12.789 1.00 . A B . 17 ARG CZ 1 1 1 270 1 1 17 ARG H H -1.850 2.393 7.685 1.00 . A B . 17 ARG H 1 1 1 271 1 1 17 ARG HA H 0.256 4.147 8.166 1.00 . A B . 17 ARG HA 1 1 1 272 1 1 17 ARG HB2 H -0.022 1.218 8.722 1.00 . A B . 17 ARG HB2 1 1 1 273 1 1 17 ARG HB3 H 1.417 2.066 9.210 1.00 . A B . 17 ARG HB3 1 1 1 274 1 1 17 ARG HD2 H -0.380 2.019 12.350 1.00 . A B . 17 ARG HD2 1 1 1 275 1 1 17 ARG HD3 H -0.035 0.695 11.232 1.00 . A B . 17 ARG HD3 1 1 1 276 1 1 17 ARG HE H 2.079 2.398 10.983 1.00 . A B . 17 ARG HE 1 1 1 277 1 1 17 ARG HG2 H -0.126 3.618 10.505 1.00 . A B . 17 ARG HG2 1 1 1 278 1 1 17 ARG HG3 H -1.398 2.437 10.174 1.00 . A B . 17 ARG HG3 1 1 1 279 1 1 17 ARG HH11 H 0.687 0.561 13.679 1.00 . A B . 17 ARG HH11 1 1 1 280 1 1 17 ARG HH12 H 2.139 0.527 14.577 1.00 . A B . 17 ARG HH12 1 1 1 281 1 1 17 ARG HH21 H 4.069 2.266 12.189 1.00 . A B . 17 ARG HH21 1 1 1 282 1 1 17 ARG HH22 H 4.103 1.501 13.703 1.00 . A B . 17 ARG HH22 1 1 1 283 1 1 17 ARG N N -1.209 3.017 7.276 1.00 . A B . 17 ARG N 1 1 1 284 1 1 17 ARG NE N 1.598 1.918 11.695 1.00 . A B . 17 ARG NE 1 1 1 285 1 1 17 ARG NH1 N 1.654 0.816 13.745 1.00 . A B . 17 ARG NH1 1 1 1 286 1 1 17 ARG NH2 N 3.563 1.774 12.902 1.00 . A B . 17 ARG NH2 1 1 1 287 1 1 17 ARG O O 2.145 3.652 6.626 1.00 . A B . 17 ARG O 1 1 1 288 1 1 18 ALA C C 1.847 2.593 3.818 1.00 . A B . 18 ALA C 1 1 1 289 1 1 18 ALA CA C 1.861 1.501 4.880 1.00 . A B . 18 ALA CA 1 1 1 290 1 1 18 ALA CB C 1.461 0.163 4.278 1.00 . A B . 18 ALA CB 1 1 1 291 1 1 18 ALA H H 0.176 1.310 6.163 1.00 . A B . 18 ALA H 1 1 1 292 1 1 18 ALA HA H 2.861 1.416 5.280 1.00 . A B . 18 ALA HA 1 1 1 293 1 1 18 ALA HB1 H 1.489 -0.598 5.043 1.00 . A B . 18 ALA HB1 1 1 1 294 1 1 18 ALA HB2 H 2.143 -0.098 3.483 1.00 . A B . 18 ALA HB2 1 1 1 295 1 1 18 ALA HB3 H 0.459 0.235 3.882 1.00 . A B . 18 ALA HB3 1 1 1 296 1 1 18 ALA N N 0.973 1.853 5.975 1.00 . A B . 18 ALA N 1 1 1 297 1 1 18 ALA O O 2.875 2.911 3.233 1.00 . A B . 18 ALA O 1 1 1 298 1 1 19 GLN C C 1.282 5.491 3.097 1.00 . A B . 19 GLN C 1 1 1 299 1 1 19 GLN CA C 0.492 4.263 2.649 1.00 . A B . 19 GLN CA 1 1 1 300 1 1 19 GLN CB C -0.979 4.654 2.576 1.00 . A B . 19 GLN CB 1 1 1 301 1 1 19 GLN CD C -3.239 4.186 1.625 1.00 . A B . 19 GLN CD 1 1 1 302 1 1 19 GLN CG C -1.873 3.648 1.920 1.00 . A B . 19 GLN CG 1 1 1 303 1 1 19 GLN H H -0.108 2.804 4.065 1.00 . A B . 19 GLN H 1 1 1 304 1 1 19 GLN HA H 0.817 3.911 1.676 1.00 . A B . 19 GLN HA 1 1 1 305 1 1 19 GLN HB2 H -1.296 4.712 3.607 1.00 . A B . 19 GLN HB2 1 1 1 306 1 1 19 GLN HB3 H -1.121 5.634 2.161 1.00 . A B . 19 GLN HB3 1 1 1 307 1 1 19 GLN HE21 H -2.660 4.636 -0.196 1.00 . A B . 19 GLN HE21 1 1 1 308 1 1 19 GLN HE22 H -4.287 5.046 0.175 1.00 . A B . 19 GLN HE22 1 1 1 309 1 1 19 GLN HG2 H -1.414 3.364 0.989 1.00 . A B . 19 GLN HG2 1 1 1 310 1 1 19 GLN HG3 H -1.964 2.785 2.562 1.00 . A B . 19 GLN HG3 1 1 1 311 1 1 19 GLN N N 0.675 3.159 3.588 1.00 . A B . 19 GLN N 1 1 1 312 1 1 19 GLN NE2 N -3.418 4.664 0.422 1.00 . A B . 19 GLN NE2 1 1 1 313 1 1 19 GLN O O 2.080 6.045 2.340 1.00 . A B . 19 GLN O 1 1 1 314 1 1 19 GLN OE1 O -4.140 4.132 2.457 1.00 . A B . 19 GLN OE1 1 1 1 315 1 1 20 ILE C C 3.211 6.861 4.904 1.00 . A B . 20 ILE C 1 1 1 316 1 1 20 ILE CA C 1.694 7.060 4.950 1.00 . A B . 20 ILE CA 1 1 1 317 1 1 20 ILE CB C 1.235 7.252 6.441 1.00 . A B . 20 ILE CB 1 1 1 318 1 1 20 ILE CD1 C -0.719 8.831 5.839 1.00 . A B . 20 ILE CD1 1 1 1 319 1 1 20 ILE CG1 C -0.276 7.559 6.538 1.00 . A B . 20 ILE CG1 1 1 1 320 1 1 20 ILE CG2 C 2.046 8.334 7.152 1.00 . A B . 20 ILE CG2 1 1 1 321 1 1 20 ILE H H 0.299 5.441 4.798 1.00 . A B . 20 ILE H 1 1 1 322 1 1 20 ILE HA H 1.446 7.948 4.389 1.00 . A B . 20 ILE HA 1 1 1 323 1 1 20 ILE HB H 1.429 6.321 6.953 1.00 . A B . 20 ILE HB 1 1 1 324 1 1 20 ILE HD11 H -0.510 8.755 4.784 1.00 . A B . 20 ILE HD11 1 1 1 325 1 1 20 ILE HD12 H -0.190 9.676 6.254 1.00 . A B . 20 ILE HD12 1 1 1 326 1 1 20 ILE HD13 H -1.781 8.966 5.983 1.00 . A B . 20 ILE HD13 1 1 1 327 1 1 20 ILE HG12 H -0.826 6.743 6.096 1.00 . A B . 20 ILE HG12 1 1 1 328 1 1 20 ILE HG13 H -0.548 7.639 7.581 1.00 . A B . 20 ILE HG13 1 1 1 329 1 1 20 ILE HG21 H 1.695 8.441 8.169 1.00 . A B . 20 ILE HG21 1 1 1 330 1 1 20 ILE HG22 H 1.928 9.273 6.630 1.00 . A B . 20 ILE HG22 1 1 1 331 1 1 20 ILE HG23 H 3.090 8.055 7.159 1.00 . A B . 20 ILE HG23 1 1 1 332 1 1 20 ILE N N 1.014 5.920 4.318 1.00 . A B . 20 ILE N 1 1 1 333 1 1 20 ILE O O 3.969 7.781 4.556 1.00 . A B . 20 ILE O 1 1 1 334 1 1 21 ALA C C 5.599 5.379 3.783 1.00 . A B . 21 ALA C 1 1 1 335 1 1 21 ALA CA C 5.041 5.331 5.202 1.00 . A B . 21 ALA CA 1 1 1 336 1 1 21 ALA CB C 5.283 3.970 5.831 1.00 . A B . 21 ALA CB 1 1 1 337 1 1 21 ALA H H 2.988 4.977 5.494 1.00 . A B . 21 ALA H 1 1 1 338 1 1 21 ALA HA H 5.556 6.073 5.796 1.00 . A B . 21 ALA HA 1 1 1 339 1 1 21 ALA HB1 H 4.808 3.207 5.231 1.00 . A B . 21 ALA HB1 1 1 1 340 1 1 21 ALA HB2 H 4.868 3.955 6.827 1.00 . A B . 21 ALA HB2 1 1 1 341 1 1 21 ALA HB3 H 6.345 3.785 5.878 1.00 . A B . 21 ALA HB3 1 1 1 342 1 1 21 ALA N N 3.641 5.661 5.221 1.00 . A B . 21 ALA N 1 1 1 343 1 1 21 ALA O O 6.593 6.043 3.536 1.00 . A B . 21 ALA O 1 1 1 344 1 1 22 ILE C C 5.460 6.030 0.804 1.00 . A B . 22 ILE C 1 1 1 345 1 1 22 ILE CA C 5.397 4.630 1.469 1.00 . A B . 22 ILE CA 1 1 1 346 1 1 22 ILE CB C 4.507 3.604 0.606 1.00 . A B . 22 ILE CB 1 1 1 347 1 1 22 ILE CD1 C 6.014 3.792 -1.513 1.00 . A B . 22 ILE CD1 1 1 1 348 1 1 22 ILE CG1 C 5.321 2.897 -0.500 1.00 . A B . 22 ILE CG1 1 1 1 349 1 1 22 ILE CG2 C 3.245 4.230 0.009 1.00 . A B . 22 ILE CG2 1 1 1 350 1 1 22 ILE H H 4.080 4.278 3.094 1.00 . A B . 22 ILE H 1 1 1 351 1 1 22 ILE HA H 6.407 4.247 1.518 1.00 . A B . 22 ILE HA 1 1 1 352 1 1 22 ILE HB H 4.128 2.853 1.283 1.00 . A B . 22 ILE HB 1 1 1 353 1 1 22 ILE HD11 H 5.283 4.419 -2.002 1.00 . A B . 22 ILE HD11 1 1 1 354 1 1 22 ILE HD12 H 6.523 3.184 -2.245 1.00 . A B . 22 ILE HD12 1 1 1 355 1 1 22 ILE HD13 H 6.733 4.415 -1.001 1.00 . A B . 22 ILE HD13 1 1 1 356 1 1 22 ILE HG12 H 6.088 2.295 -0.037 1.00 . A B . 22 ILE HG12 1 1 1 357 1 1 22 ILE HG13 H 4.647 2.249 -1.041 1.00 . A B . 22 ILE HG13 1 1 1 358 1 1 22 ILE HG21 H 2.695 3.483 -0.547 1.00 . A B . 22 ILE HG21 1 1 1 359 1 1 22 ILE HG22 H 3.530 5.036 -0.651 1.00 . A B . 22 ILE HG22 1 1 1 360 1 1 22 ILE HG23 H 2.628 4.622 0.803 1.00 . A B . 22 ILE HG23 1 1 1 361 1 1 22 ILE N N 4.921 4.727 2.847 1.00 . A B . 22 ILE N 1 1 1 362 1 1 22 ILE O O 6.466 6.395 0.175 1.00 . A B . 22 ILE O 1 1 1 363 1 1 23 CYS C C 5.198 9.137 1.032 1.00 . A B . 23 CYS C 1 1 1 364 1 1 23 CYS CA C 4.334 8.088 0.341 1.00 . A B . 23 CYS CA 1 1 1 365 1 1 23 CYS CB C 2.870 8.520 0.257 1.00 . A B . 23 CYS CB 1 1 1 366 1 1 23 CYS H H 3.726 6.530 1.625 1.00 . A B . 23 CYS H 1 1 1 367 1 1 23 CYS HA H 4.712 7.949 -0.660 1.00 . A B . 23 CYS HA 1 1 1 368 1 1 23 CYS HB2 H 2.261 7.656 0.038 1.00 . A B . 23 CYS HB2 1 1 1 369 1 1 23 CYS HB3 H 2.571 8.931 1.209 1.00 . A B . 23 CYS HB3 1 1 1 370 1 1 23 CYS N N 4.439 6.823 1.013 1.00 . A B . 23 CYS N 1 1 1 371 1 1 23 CYS O O 5.582 10.139 0.428 1.00 . A B . 23 CYS O 1 1 1 372 1 1 23 CYS SG S 2.535 9.771 -1.022 1.00 . A B . 23 CYS SG 1 1 1 373 1 1 24 GLY C C 7.851 9.468 2.762 1.00 . A B . 24 GLY C 1 1 1 374 1 1 24 GLY CA C 6.390 9.787 3.007 1.00 . A B . 24 GLY CA 1 1 1 375 1 1 24 GLY H H 5.168 8.093 2.732 1.00 . A B . 24 GLY H 1 1 1 376 1 1 24 GLY HA2 H 6.187 10.799 2.687 1.00 . A B . 24 GLY HA2 1 1 1 377 1 1 24 GLY HA3 H 6.186 9.701 4.063 1.00 . A B . 24 GLY HA3 1 1 1 378 1 1 24 GLY N N 5.528 8.889 2.284 1.00 . A B . 24 GLY N 1 1 1 379 1 1 24 GLY O O 8.676 10.355 2.640 1.00 . A B . 24 GLY O 1 1 1 380 1 1 25 MET C C 9.873 7.594 0.963 1.00 . A B . 25 MET C 1 1 1 381 1 1 25 MET CA C 9.529 7.719 2.435 1.00 . A B . 25 MET CA 1 1 1 382 1 1 25 MET CB C 9.723 6.368 3.107 1.00 . A B . 25 MET CB 1 1 1 383 1 1 25 MET CE C 11.394 4.256 4.752 1.00 . A B . 25 MET CE 1 1 1 384 1 1 25 MET CG C 9.620 6.389 4.613 1.00 . A B . 25 MET CG 1 1 1 385 1 1 25 MET H H 7.434 7.525 2.675 1.00 . A B . 25 MET H 1 1 1 386 1 1 25 MET HA H 10.197 8.433 2.889 1.00 . A B . 25 MET HA 1 1 1 387 1 1 25 MET HB2 H 8.954 5.706 2.738 1.00 . A B . 25 MET HB2 1 1 1 388 1 1 25 MET HB3 H 10.692 5.982 2.829 1.00 . A B . 25 MET HB3 1 1 1 389 1 1 25 MET HE1 H 12.124 4.979 5.083 1.00 . A B . 25 MET HE1 1 1 1 390 1 1 25 MET HE2 H 11.396 4.211 3.673 1.00 . A B . 25 MET HE2 1 1 1 391 1 1 25 MET HE3 H 11.641 3.284 5.152 1.00 . A B . 25 MET HE3 1 1 1 392 1 1 25 MET HG2 H 10.410 7.011 5.005 1.00 . A B . 25 MET HG2 1 1 1 393 1 1 25 MET HG3 H 8.662 6.803 4.886 1.00 . A B . 25 MET HG3 1 1 1 394 1 1 25 MET N N 8.155 8.192 2.630 1.00 . A B . 25 MET N 1 1 1 395 1 1 25 MET O O 10.718 6.786 0.576 1.00 . A B . 25 MET O 1 1 1 396 1 1 25 MET SD S 9.769 4.746 5.339 1.00 . A B . 25 MET SD 1 1 1 397 1 1 26 SER C C 10.853 9.135 -1.664 1.00 . A B . 26 SER C 1 1 1 398 1 1 26 SER CA C 9.527 8.433 -1.280 1.00 . A B . 26 SER CA 1 1 1 399 1 1 26 SER CB C 8.352 9.103 -1.975 1.00 . A B . 26 SER CB 1 1 1 400 1 1 26 SER H H 8.747 9.154 0.560 1.00 . A B . 26 SER H 1 1 1 401 1 1 26 SER HA H 9.576 7.402 -1.591 1.00 . A B . 26 SER HA 1 1 1 402 1 1 26 SER HB2 H 8.333 10.151 -1.717 1.00 . A B . 26 SER HB2 1 1 1 403 1 1 26 SER HB3 H 8.474 8.999 -3.043 1.00 . A B . 26 SER HB3 1 1 1 404 1 1 26 SER HG H 7.280 7.821 -0.914 1.00 . A B . 26 SER HG 1 1 1 405 1 1 26 SER N N 9.311 8.457 0.161 1.00 . A B . 26 SER N 1 1 1 406 1 1 26 SER O O 11.069 9.505 -2.814 1.00 . A B . 26 SER O 1 1 1 407 1 1 26 SER OG O 7.115 8.497 -1.588 1.00 . A B . 26 SER OG 1 1 1 408 1 1 27 THR C C 13.968 8.969 -1.653 1.00 . A B . 27 THR C 1 1 1 409 1 1 27 THR CA C 13.034 9.889 -0.871 1.00 . A B . 27 THR CA 1 1 1 410 1 1 27 THR CB C 13.622 10.201 0.510 1.00 . A B . 27 THR CB 1 1 1 411 1 1 27 THR CG2 C 14.794 11.163 0.414 1.00 . A B . 27 THR CG2 1 1 1 412 1 1 27 THR H H 11.507 8.913 0.192 1.00 . A B . 27 THR H 1 1 1 413 1 1 27 THR HA H 12.899 10.798 -1.422 1.00 . A B . 27 THR HA 1 1 1 414 1 1 27 THR HB H 13.941 9.276 0.967 1.00 . A B . 27 THR HB 1 1 1 415 1 1 27 THR HG1 H 12.041 11.343 0.725 1.00 . A B . 27 THR HG1 1 1 1 416 1 1 27 THR HG21 H 14.464 12.092 -0.028 1.00 . A B . 27 THR HG21 1 1 1 417 1 1 27 THR HG22 H 15.564 10.725 -0.204 1.00 . A B . 27 THR HG22 1 1 1 418 1 1 27 THR HG23 H 15.188 11.352 1.401 1.00 . A B . 27 THR HG23 1 1 1 419 1 1 27 THR N N 11.741 9.255 -0.695 1.00 . A B . 27 THR N 1 1 1 420 1 1 27 THR O O 14.968 9.388 -2.245 1.00 . A B . 27 THR O 1 1 1 421 1 1 27 THR OG1 O 12.589 10.799 1.307 1.00 . A B . 27 THR OG1 1 1 1 422 1 1 28 TRP C C 13.669 6.446 -3.681 1.00 . A B . 28 TRP C 1 1 1 423 1 1 28 TRP CA C 14.341 6.729 -2.352 1.00 . A B . 28 TRP CA 1 1 1 424 1 1 28 TRP CB C 14.410 5.462 -1.490 1.00 . A B . 28 TRP CB 1 1 1 425 1 1 28 TRP CD1 C 14.627 3.225 -2.700 1.00 . A B . 28 TRP CD1 1 1 1 426 1 1 28 TRP CD2 C 16.590 4.173 -2.210 1.00 . A B . 28 TRP CD2 1 1 1 427 1 1 28 TRP CE2 C 16.831 2.957 -2.864 1.00 . A B . 28 TRP CE2 1 1 1 428 1 1 28 TRP CE3 C 17.681 4.946 -1.810 1.00 . A B . 28 TRP CE3 1 1 1 429 1 1 28 TRP CG C 15.163 4.324 -2.111 1.00 . A B . 28 TRP CG 1 1 1 430 1 1 28 TRP CH2 C 19.164 3.266 -2.724 1.00 . A B . 28 TRP CH2 1 1 1 431 1 1 28 TRP CZ2 C 18.115 2.489 -3.127 1.00 . A B . 28 TRP CZ2 1 1 1 432 1 1 28 TRP CZ3 C 18.956 4.485 -2.071 1.00 . A B . 28 TRP CZ3 1 1 1 433 1 1 28 TRP H H 12.764 7.575 -1.203 1.00 . A B . 28 TRP H 1 1 1 434 1 1 28 TRP HA H 15.341 7.093 -2.526 1.00 . A B . 28 TRP HA 1 1 1 435 1 1 28 TRP HB2 H 14.893 5.697 -0.554 1.00 . A B . 28 TRP HB2 1 1 1 436 1 1 28 TRP HB3 H 13.403 5.125 -1.287 1.00 . A B . 28 TRP HB3 1 1 1 437 1 1 28 TRP HD1 H 13.567 3.040 -2.789 1.00 . A B . 28 TRP HD1 1 1 1 438 1 1 28 TRP HE1 H 15.490 1.545 -3.605 1.00 . A B . 28 TRP HE1 1 1 1 439 1 1 28 TRP HE3 H 17.541 5.889 -1.304 1.00 . A B . 28 TRP HE3 1 1 1 440 1 1 28 TRP HH2 H 20.178 2.944 -2.907 1.00 . A B . 28 TRP HH2 1 1 1 441 1 1 28 TRP HZ2 H 18.290 1.550 -3.631 1.00 . A B . 28 TRP HZ2 1 1 1 442 1 1 28 TRP HZ3 H 19.812 5.069 -1.767 1.00 . A B . 28 TRP HZ3 1 1 1 443 1 1 28 TRP N N 13.607 7.748 -1.667 1.00 . A B . 28 TRP N 1 1 1 444 1 1 28 TRP NE1 N 15.622 2.403 -3.148 1.00 . A B . 28 TRP NE1 1 1 1 445 1 1 28 TRP O O 12.444 6.329 -3.753 1.00 . A B . 28 TRP O 1 1 1 446 1 1 29 SER C C 14.095 4.559 -6.241 1.00 . A B . 29 SER C 1 1 1 447 1 1 29 SER CA C 13.944 6.059 -6.017 1.00 . A B . 29 SER CA 1 1 1 448 1 1 29 SER CB C 14.692 6.859 -7.088 1.00 . A B . 29 SER CB 1 1 1 449 1 1 29 SER H H 15.408 6.544 -4.608 1.00 . A B . 29 SER H 1 1 1 450 1 1 29 SER HA H 12.896 6.314 -6.044 1.00 . A B . 29 SER HA 1 1 1 451 1 1 29 SER HB2 H 15.736 6.581 -7.082 1.00 . A B . 29 SER HB2 1 1 1 452 1 1 29 SER HB3 H 14.267 6.648 -8.058 1.00 . A B . 29 SER HB3 1 1 1 453 1 1 29 SER HG H 15.127 8.467 -6.065 1.00 . A B . 29 SER HG 1 1 1 454 1 1 29 SER N N 14.447 6.382 -4.718 1.00 . A B . 29 SER N 1 1 1 455 1 1 29 SER O O 15.159 4.078 -6.660 1.00 . A B . 29 SER O 1 1 1 456 1 1 29 SER OG O 14.586 8.260 -6.836 1.00 . A B . 29 SER OG 1 1 1 457 1 1 30 NH2 HN1 H 12.263 4.272 -5.578 1.00 . A B . 30 NH2 HN1 1 1 1 458 1 1 30 NH2 HN2 H 13.138 2.843 -5.984 1.00 . A B . 30 NH2 HN2 1 1 1 459 1 1 30 NH2 N N 13.069 3.816 -5.901 1.00 . A B . 30 NH2 N 1 1 1 460 2 2 1 PCA C C -12.887 3.231 -4.857 1.00 . B A . 1 PCA C 1 1 1 461 2 2 1 PCA CA C -14.228 3.877 -4.551 1.00 . B A . 1 PCA CA 1 1 1 462 2 2 1 PCA CB C -14.098 4.735 -3.317 1.00 . B A . 1 PCA CB 1 1 1 463 2 2 1 PCA CD C -15.800 3.095 -3.052 1.00 . B A . 1 PCA CD 1 1 1 464 2 2 1 PCA CG C -15.193 4.302 -2.376 1.00 . B A . 1 PCA CG 1 1 1 465 2 2 1 PCA HA H -14.509 4.480 -5.400 1.00 . B A . 1 PCA HA 1 1 1 466 2 2 1 PCA HB2 H -13.124 4.570 -2.857 1.00 . B A . 1 PCA HB2 1 1 1 467 2 2 1 PCA HB3 H -14.213 5.784 -3.583 1.00 . B A . 1 PCA HB3 1 1 1 468 2 2 1 PCA HG2 H -14.778 4.037 -1.403 1.00 . B A . 1 PCA HG2 1 1 1 469 2 2 1 PCA HG3 H -15.956 5.074 -2.274 1.00 . B A . 1 PCA HG3 1 1 1 470 2 2 1 PCA N N -15.267 2.875 -4.257 1.00 . B A . 1 PCA N 1 1 1 471 2 2 1 PCA O O -12.698 2.029 -4.630 1.00 . B A . 1 PCA O 1 1 1 472 2 2 1 PCA OE O -16.666 2.404 -2.528 1.00 . B A . 1 PCA OE 1 1 1 473 2 2 2 LEU C C -9.862 3.137 -4.479 1.00 . B A . 2 LEU C 1 1 1 474 2 2 2 LEU CA C -10.616 3.532 -5.681 1.00 . B A . 2 LEU CA 1 1 1 475 2 2 2 LEU CB C -9.830 4.522 -6.532 1.00 . B A . 2 LEU CB 1 1 1 476 2 2 2 LEU CD1 C -9.543 5.865 -8.618 1.00 . B A . 2 LEU CD1 1 1 1 477 2 2 2 LEU CD2 C -10.689 3.650 -8.730 1.00 . B A . 2 LEU CD2 1 1 1 478 2 2 2 LEU CG C -10.443 4.893 -7.884 1.00 . B A . 2 LEU CG 1 1 1 479 2 2 2 LEU H H -12.145 4.984 -5.449 1.00 . B A . 2 LEU H 1 1 1 480 2 2 2 LEU HA H -10.661 2.587 -6.187 1.00 . B A . 2 LEU HA 1 1 1 481 2 2 2 LEU HB2 H -9.698 5.429 -5.960 1.00 . B A . 2 LEU HB2 1 1 1 482 2 2 2 LEU HB3 H -8.858 4.089 -6.715 1.00 . B A . 2 LEU HB3 1 1 1 483 2 2 2 LEU HD11 H -8.574 5.413 -8.767 1.00 . B A . 2 LEU HD11 1 1 1 484 2 2 2 LEU HD12 H -9.436 6.769 -8.036 1.00 . B A . 2 LEU HD12 1 1 1 485 2 2 2 LEU HD13 H -9.978 6.104 -9.577 1.00 . B A . 2 LEU HD13 1 1 1 486 2 2 2 LEU HD21 H -9.759 3.121 -8.872 1.00 . B A . 2 LEU HD21 1 1 1 487 2 2 2 LEU HD22 H -11.090 3.939 -9.690 1.00 . B A . 2 LEU HD22 1 1 1 488 2 2 2 LEU HD23 H -11.397 3.007 -8.228 1.00 . B A . 2 LEU HD23 1 1 1 489 2 2 2 LEU HG H -11.390 5.383 -7.714 1.00 . B A . 2 LEU HG 1 1 1 490 2 2 2 LEU N N -11.945 4.029 -5.331 1.00 . B A . 2 LEU N 1 1 1 491 2 2 2 LEU O O -9.099 2.165 -4.511 1.00 . B A . 2 LEU O 1 1 1 492 2 2 3 TYR C C -10.056 2.165 -1.664 1.00 . B A . 3 TYR C 1 1 1 493 2 2 3 TYR CA C -9.433 3.443 -2.227 1.00 . B A . 3 TYR CA 1 1 1 494 2 2 3 TYR CB C -9.357 4.546 -1.188 1.00 . B A . 3 TYR CB 1 1 1 495 2 2 3 TYR CD1 C -7.275 3.630 -0.271 1.00 . B A . 3 TYR CD1 1 1 1 496 2 2 3 TYR CD2 C -9.080 3.952 1.221 1.00 . B A . 3 TYR CD2 1 1 1 497 2 2 3 TYR CE1 C -6.528 3.112 0.711 1.00 . B A . 3 TYR CE1 1 1 1 498 2 2 3 TYR CE2 C -8.335 3.422 2.238 1.00 . B A . 3 TYR CE2 1 1 1 499 2 2 3 TYR CG C -8.555 4.065 -0.045 1.00 . B A . 3 TYR CG 1 1 1 500 2 2 3 TYR CZ C -7.051 2.999 1.982 1.00 . B A . 3 TYR CZ 1 1 1 501 2 2 3 TYR H H -10.671 4.613 -3.419 1.00 . B A . 3 TYR H 1 1 1 502 2 2 3 TYR HA H -8.430 3.184 -2.531 1.00 . B A . 3 TYR HA 1 1 1 503 2 2 3 TYR HB2 H -8.877 5.416 -1.614 1.00 . B A . 3 TYR HB2 1 1 1 504 2 2 3 TYR HB3 H -10.343 4.801 -0.834 1.00 . B A . 3 TYR HB3 1 1 1 505 2 2 3 TYR HD1 H -6.858 3.718 -1.263 1.00 . B A . 3 TYR HD1 1 1 1 506 2 2 3 TYR HD2 H -10.088 4.293 1.403 1.00 . B A . 3 TYR HD2 1 1 1 507 2 2 3 TYR HE1 H -5.539 2.793 0.431 1.00 . B A . 3 TYR HE1 1 1 1 508 2 2 3 TYR HE2 H -8.770 3.338 3.221 1.00 . B A . 3 TYR HE2 1 1 1 509 2 2 3 TYR HH H -5.417 2.889 2.935 1.00 . B A . 3 TYR HH 1 1 1 510 2 2 3 TYR N N -10.083 3.827 -3.404 1.00 . B A . 3 TYR N 1 1 1 511 2 2 3 TYR O O -9.346 1.281 -1.211 1.00 . B A . 3 TYR O 1 1 1 512 2 2 3 TYR OH O -6.288 2.474 2.993 1.00 . B A . 3 TYR OH 1 1 1 513 2 2 4 SER C C -11.634 -0.350 -2.125 1.00 . B A . 4 SER C 1 1 1 514 2 2 4 SER CA C -12.052 0.870 -1.280 1.00 . B A . 4 SER CA 1 1 1 515 2 2 4 SER CB C -13.574 1.079 -1.308 1.00 . B A . 4 SER CB 1 1 1 516 2 2 4 SER H H -11.884 2.814 -2.078 1.00 . B A . 4 SER H 1 1 1 517 2 2 4 SER HA H -11.738 0.696 -0.262 1.00 . B A . 4 SER HA 1 1 1 518 2 2 4 SER HB2 H -13.825 1.965 -0.744 1.00 . B A . 4 SER HB2 1 1 1 519 2 2 4 SER HB3 H -13.895 1.205 -2.331 1.00 . B A . 4 SER HB3 1 1 1 520 2 2 4 SER HG H -14.944 -0.299 -1.376 1.00 . B A . 4 SER HG 1 1 1 521 2 2 4 SER N N -11.364 2.056 -1.739 1.00 . B A . 4 SER N 1 1 1 522 2 2 4 SER O O -11.499 -1.459 -1.602 1.00 . B A . 4 SER O 1 1 1 523 2 2 4 SER OG O -14.268 -0.024 -0.742 1.00 . B A . 4 SER OG 1 1 1 524 2 2 5 ALA C C -9.582 -1.687 -3.832 1.00 . B A . 5 ALA C 1 1 1 525 2 2 5 ALA CA C -10.935 -1.188 -4.307 1.00 . B A . 5 ALA CA 1 1 1 526 2 2 5 ALA CB C -10.849 -0.690 -5.743 1.00 . B A . 5 ALA CB 1 1 1 527 2 2 5 ALA H H -11.601 0.756 -3.793 1.00 . B A . 5 ALA H 1 1 1 528 2 2 5 ALA HA H -11.639 -2.005 -4.257 1.00 . B A . 5 ALA HA 1 1 1 529 2 2 5 ALA HB1 H -11.813 -0.323 -6.060 1.00 . B A . 5 ALA HB1 1 1 1 530 2 2 5 ALA HB2 H -10.542 -1.500 -6.388 1.00 . B A . 5 ALA HB2 1 1 1 531 2 2 5 ALA HB3 H -10.124 0.108 -5.802 1.00 . B A . 5 ALA HB3 1 1 1 532 2 2 5 ALA N N -11.411 -0.134 -3.420 1.00 . B A . 5 ALA N 1 1 1 533 2 2 5 ALA O O -9.371 -2.891 -3.694 1.00 . B A . 5 ALA O 1 1 1 534 2 2 6 LEU C C -7.495 -1.780 -1.677 1.00 . B A . 6 LEU C 1 1 1 535 2 2 6 LEU CA C -7.365 -1.075 -3.033 1.00 . B A . 6 LEU CA 1 1 1 536 2 2 6 LEU CB C -6.514 0.204 -2.893 1.00 . B A . 6 LEU CB 1 1 1 537 2 2 6 LEU CD1 C -4.276 -0.711 -3.586 1.00 . B A . 6 LEU CD1 1 1 1 538 2 2 6 LEU CD2 C -4.390 1.348 -2.162 1.00 . B A . 6 LEU CD2 1 1 1 539 2 2 6 LEU CG C -5.044 0.011 -2.490 1.00 . B A . 6 LEU CG 1 1 1 540 2 2 6 LEU H H -8.925 0.194 -3.679 1.00 . B A . 6 LEU H 1 1 1 541 2 2 6 LEU HA H -6.897 -1.748 -3.737 1.00 . B A . 6 LEU HA 1 1 1 542 2 2 6 LEU HB2 H -6.536 0.724 -3.840 1.00 . B A . 6 LEU HB2 1 1 1 543 2 2 6 LEU HB3 H -6.985 0.834 -2.153 1.00 . B A . 6 LEU HB3 1 1 1 544 2 2 6 LEU HD11 H -3.245 -0.823 -3.286 1.00 . B A . 6 LEU HD11 1 1 1 545 2 2 6 LEU HD12 H -4.325 -0.137 -4.500 1.00 . B A . 6 LEU HD12 1 1 1 546 2 2 6 LEU HD13 H -4.709 -1.687 -3.750 1.00 . B A . 6 LEU HD13 1 1 1 547 2 2 6 LEU HD21 H -3.351 1.202 -1.899 1.00 . B A . 6 LEU HD21 1 1 1 548 2 2 6 LEU HD22 H -4.907 1.807 -1.333 1.00 . B A . 6 LEU HD22 1 1 1 549 2 2 6 LEU HD23 H -4.449 1.998 -3.021 1.00 . B A . 6 LEU HD23 1 1 1 550 2 2 6 LEU HG H -5.009 -0.611 -1.608 1.00 . B A . 6 LEU HG 1 1 1 551 2 2 6 LEU N N -8.688 -0.748 -3.538 1.00 . B A . 6 LEU N 1 1 1 552 2 2 6 LEU O O -6.921 -2.844 -1.471 1.00 . B A . 6 LEU O 1 1 1 553 2 2 7 ALA C C -8.998 -3.177 0.507 1.00 . B A . 7 ALA C 1 1 1 554 2 2 7 ALA CA C -8.560 -1.723 0.547 1.00 . B A . 7 ALA CA 1 1 1 555 2 2 7 ALA CB C -9.593 -0.872 1.275 1.00 . B A . 7 ALA CB 1 1 1 556 2 2 7 ALA H H -8.749 -0.355 -1.053 1.00 . B A . 7 ALA H 1 1 1 557 2 2 7 ALA HA H -7.631 -1.666 1.096 1.00 . B A . 7 ALA HA 1 1 1 558 2 2 7 ALA HB1 H -10.541 -0.948 0.764 1.00 . B A . 7 ALA HB1 1 1 1 559 2 2 7 ALA HB2 H -9.270 0.159 1.283 1.00 . B A . 7 ALA HB2 1 1 1 560 2 2 7 ALA HB3 H -9.702 -1.222 2.291 1.00 . B A . 7 ALA HB3 1 1 1 561 2 2 7 ALA N N -8.310 -1.197 -0.793 1.00 . B A . 7 ALA N 1 1 1 562 2 2 7 ALA O O -8.435 -4.017 1.217 1.00 . B A . 7 ALA O 1 1 1 563 2 2 8 ASN C C -9.383 -5.721 -1.098 1.00 . B A . 8 ASN C 1 1 1 564 2 2 8 ASN CA C -10.455 -4.849 -0.500 1.00 . B A . 8 ASN CA 1 1 1 565 2 2 8 ASN CB C -11.724 -4.932 -1.370 1.00 . B A . 8 ASN CB 1 1 1 566 2 2 8 ASN CG C -13.001 -4.520 -0.658 1.00 . B A . 8 ASN CG 1 1 1 567 2 2 8 ASN H H -10.379 -2.752 -0.868 1.00 . B A . 8 ASN H 1 1 1 568 2 2 8 ASN HA H -10.687 -5.225 0.486 1.00 . B A . 8 ASN HA 1 1 1 569 2 2 8 ASN HB2 H -11.600 -4.285 -2.226 1.00 . B A . 8 ASN HB2 1 1 1 570 2 2 8 ASN HB3 H -11.837 -5.949 -1.717 1.00 . B A . 8 ASN HB3 1 1 1 571 2 2 8 ASN HD21 H -12.756 -2.634 -1.203 1.00 . B A . 8 ASN HD21 1 1 1 572 2 2 8 ASN HD22 H -14.166 -2.973 -0.273 1.00 . B A . 8 ASN HD22 1 1 1 573 2 2 8 ASN N N -9.977 -3.477 -0.338 1.00 . B A . 8 ASN N 1 1 1 574 2 2 8 ASN ND2 N -13.338 -3.260 -0.713 1.00 . B A . 8 ASN ND2 1 1 1 575 2 2 8 ASN O O -9.115 -6.801 -0.600 1.00 . B A . 8 ASN O 1 1 1 576 2 2 8 ASN OD1 O -13.686 -5.348 -0.055 1.00 . B A . 8 ASN OD1 1 1 1 577 2 2 9 LYS C C -6.581 -6.406 -1.958 1.00 . B A . 9 LYS C 1 1 1 578 2 2 9 LYS CA C -7.723 -5.975 -2.858 1.00 . B A . 9 LYS CA 1 1 1 579 2 2 9 LYS CB C -7.183 -5.174 -4.049 1.00 . B A . 9 LYS CB 1 1 1 580 2 2 9 LYS CD C -5.739 -5.114 -6.103 1.00 . B A . 9 LYS CD 1 1 1 581 2 2 9 LYS CE C -4.856 -5.928 -7.036 1.00 . B A . 9 LYS CE 1 1 1 582 2 2 9 LYS CG C -6.251 -5.962 -4.953 1.00 . B A . 9 LYS CG 1 1 1 583 2 2 9 LYS H H -8.927 -4.299 -2.418 1.00 . B A . 9 LYS H 1 1 1 584 2 2 9 LYS HA H -8.185 -6.878 -3.222 1.00 . B A . 9 LYS HA 1 1 1 585 2 2 9 LYS HB2 H -7.999 -4.772 -4.630 1.00 . B A . 9 LYS HB2 1 1 1 586 2 2 9 LYS HB3 H -6.624 -4.341 -3.650 1.00 . B A . 9 LYS HB3 1 1 1 587 2 2 9 LYS HD2 H -6.581 -4.731 -6.660 1.00 . B A . 9 LYS HD2 1 1 1 588 2 2 9 LYS HD3 H -5.165 -4.291 -5.703 1.00 . B A . 9 LYS HD3 1 1 1 589 2 2 9 LYS HE2 H -5.423 -6.777 -7.382 1.00 . B A . 9 LYS HE2 1 1 1 590 2 2 9 LYS HE3 H -4.585 -5.315 -7.882 1.00 . B A . 9 LYS HE3 1 1 1 591 2 2 9 LYS HG2 H -5.409 -6.309 -4.373 1.00 . B A . 9 LYS HG2 1 1 1 592 2 2 9 LYS HG3 H -6.786 -6.811 -5.352 1.00 . B A . 9 LYS HG3 1 1 1 593 2 2 9 LYS HZ1 H -3.812 -6.948 -5.498 1.00 . B A . 9 LYS HZ1 1 1 1 594 2 2 9 LYS HZ2 H -2.996 -5.622 -6.151 1.00 . B A . 9 LYS HZ2 1 1 1 595 2 2 9 LYS HZ3 H -3.112 -7.055 -7.022 1.00 . B A . 9 LYS HZ3 1 1 1 596 2 2 9 LYS N N -8.728 -5.218 -2.128 1.00 . B A . 9 LYS N 1 1 1 597 2 2 9 LYS NZ N -3.622 -6.419 -6.375 1.00 . B A . 9 LYS NZ 1 1 1 598 2 2 9 LYS O O -6.230 -7.583 -1.930 1.00 . B A . 9 LYS O 1 1 1 599 2 2 10 CYS C C -5.329 -6.677 0.796 1.00 . B A . 10 CYS C 1 1 1 600 2 2 10 CYS CA C -4.900 -5.771 -0.341 1.00 . B A . 10 CYS CA 1 1 1 601 2 2 10 CYS CB C -4.336 -4.491 0.254 1.00 . B A . 10 CYS CB 1 1 1 602 2 2 10 CYS H H -6.366 -4.552 -1.260 1.00 . B A . 10 CYS H 1 1 1 603 2 2 10 CYS HA H -4.134 -6.269 -0.918 1.00 . B A . 10 CYS HA 1 1 1 604 2 2 10 CYS HB2 H -5.053 -4.096 0.959 1.00 . B A . 10 CYS HB2 1 1 1 605 2 2 10 CYS HB3 H -3.423 -4.727 0.780 1.00 . B A . 10 CYS HB3 1 1 1 606 2 2 10 CYS N N -6.028 -5.478 -1.217 1.00 . B A . 10 CYS N 1 1 1 607 2 2 10 CYS O O -4.551 -7.510 1.269 1.00 . B A . 10 CYS O 1 1 1 608 2 2 10 CYS SG S -3.970 -3.171 -0.935 1.00 . B A . 10 CYS SG 1 1 1 609 2 2 11 CYS C C -7.422 -8.694 1.901 1.00 . B A . 11 CYS C 1 1 1 610 2 2 11 CYS CA C -7.070 -7.271 2.324 1.00 . B A . 11 CYS CA 1 1 1 611 2 2 11 CYS CB C -8.287 -6.561 2.914 1.00 . B A . 11 CYS CB 1 1 1 612 2 2 11 CYS H H -7.169 -5.901 0.755 1.00 . B A . 11 CYS H 1 1 1 613 2 2 11 CYS HA H -6.293 -7.309 3.074 1.00 . B A . 11 CYS HA 1 1 1 614 2 2 11 CYS HB2 H -8.149 -5.496 2.819 1.00 . B A . 11 CYS HB2 1 1 1 615 2 2 11 CYS HB3 H -9.162 -6.852 2.351 1.00 . B A . 11 CYS HB3 1 1 1 616 2 2 11 CYS N N -6.569 -6.534 1.207 1.00 . B A . 11 CYS N 1 1 1 617 2 2 11 CYS O O -7.423 -9.621 2.721 1.00 . B A . 11 CYS O 1 1 1 618 2 2 11 CYS SG S -8.595 -6.936 4.661 1.00 . B A . 11 CYS SG 1 1 1 619 2 2 12 HIS C C -6.808 -10.901 -0.400 1.00 . B A . 12 HIS C 1 1 1 620 2 2 12 HIS CA C -8.039 -10.194 0.117 1.00 . B A . 12 HIS CA 1 1 1 621 2 2 12 HIS CB C -9.126 -10.129 -0.978 1.00 . B A . 12 HIS CB 1 1 1 622 2 2 12 HIS CD2 C -10.845 -9.219 0.732 1.00 . B A . 12 HIS CD2 1 1 1 623 2 2 12 HIS CE1 C -12.637 -9.292 -0.469 1.00 . B A . 12 HIS CE1 1 1 1 624 2 2 12 HIS CG C -10.482 -9.707 -0.475 1.00 . B A . 12 HIS CG 1 1 1 625 2 2 12 HIS H H -7.736 -8.114 0.003 1.00 . B A . 12 HIS H 1 1 1 626 2 2 12 HIS HA H -8.431 -10.758 0.950 1.00 . B A . 12 HIS HA 1 1 1 627 2 2 12 HIS HB2 H -8.819 -9.413 -1.726 1.00 . B A . 12 HIS HB2 1 1 1 628 2 2 12 HIS HB3 H -9.219 -11.100 -1.439 1.00 . B A . 12 HIS HB3 1 1 1 629 2 2 12 HIS HD1 H -11.711 -10.049 -2.159 1.00 . B A . 12 HIS HD1 1 1 1 630 2 2 12 HIS HD2 H -10.169 -9.051 1.557 1.00 . B A . 12 HIS HD2 1 1 1 631 2 2 12 HIS HE1 H -13.663 -9.207 -0.794 1.00 . B A . 12 HIS HE1 1 1 1 632 2 2 12 HIS N N -7.711 -8.880 0.624 1.00 . B A . 12 HIS N 1 1 1 633 2 2 12 HIS ND1 N -11.635 -9.748 -1.227 1.00 . B A . 12 HIS ND1 1 1 1 634 2 2 12 HIS NE2 N -12.209 -8.957 0.737 1.00 . B A . 12 HIS NE2 1 1 1 635 2 2 12 HIS O O -6.361 -11.898 0.166 1.00 . B A . 12 HIS O 1 1 1 636 2 2 13 VAL C C -3.813 -10.286 -1.793 1.00 . B A . 13 VAL C 1 1 1 637 2 2 13 VAL CA C -5.114 -10.991 -2.083 1.00 . B A . 13 VAL CA 1 1 1 638 2 2 13 VAL CB C -5.351 -11.125 -3.612 1.00 . B A . 13 VAL CB 1 1 1 639 2 2 13 VAL CG1 C -6.460 -12.122 -3.875 1.00 . B A . 13 VAL CG1 1 1 1 640 2 2 13 VAL CG2 C -5.717 -9.790 -4.264 1.00 . B A . 13 VAL CG2 1 1 1 641 2 2 13 VAL H H -6.507 -9.450 -1.703 1.00 . B A . 13 VAL H 1 1 1 642 2 2 13 VAL HA H -5.045 -11.985 -1.667 1.00 . B A . 13 VAL HA 1 1 1 643 2 2 13 VAL HB H -4.413 -11.462 -4.024 1.00 . B A . 13 VAL HB 1 1 1 644 2 2 13 VAL HG11 H -7.356 -11.784 -3.375 1.00 . B A . 13 VAL HG11 1 1 1 645 2 2 13 VAL HG12 H -6.178 -13.091 -3.490 1.00 . B A . 13 VAL HG12 1 1 1 646 2 2 13 VAL HG13 H -6.645 -12.188 -4.937 1.00 . B A . 13 VAL HG13 1 1 1 647 2 2 13 VAL HG21 H -5.875 -9.938 -5.323 1.00 . B A . 13 VAL HG21 1 1 1 648 2 2 13 VAL HG22 H -4.915 -9.083 -4.114 1.00 . B A . 13 VAL HG22 1 1 1 649 2 2 13 VAL HG23 H -6.622 -9.407 -3.816 1.00 . B A . 13 VAL HG23 1 1 1 650 2 2 13 VAL N N -6.220 -10.347 -1.420 1.00 . B A . 13 VAL N 1 1 1 651 2 2 13 VAL O O -2.795 -10.911 -1.488 1.00 . B A . 13 VAL O 1 1 1 652 2 2 14 GLY C C -2.573 -7.181 -2.701 1.00 . B A . 14 GLY C 1 1 1 653 2 2 14 GLY CA C -2.743 -8.193 -1.617 1.00 . B A . 14 GLY CA 1 1 1 654 2 2 14 GLY H H -4.704 -8.610 -2.182 1.00 . B A . 14 GLY H 1 1 1 655 2 2 14 GLY HA2 H -2.887 -7.698 -0.668 1.00 . B A . 14 GLY HA2 1 1 1 656 2 2 14 GLY HA3 H -1.844 -8.776 -1.524 1.00 . B A . 14 GLY HA3 1 1 1 657 2 2 14 GLY N N -3.862 -9.013 -1.881 1.00 . B A . 14 GLY N 1 1 1 658 2 2 14 GLY O O -3.329 -7.183 -3.698 1.00 . B A . 14 GLY O 1 1 1 659 2 2 15 CYS C C 0.076 -4.929 -3.425 1.00 . B A . 15 CYS C 1 1 1 660 2 2 15 CYS CA C -1.366 -5.292 -3.485 1.00 . B A . 15 CYS CA 1 1 1 661 2 2 15 CYS CB C -2.214 -4.073 -3.182 1.00 . B A . 15 CYS CB 1 1 1 662 2 2 15 CYS H H -1.069 -6.365 -1.730 1.00 . B A . 15 CYS H 1 1 1 663 2 2 15 CYS HA H -1.618 -5.656 -4.469 1.00 . B A . 15 CYS HA 1 1 1 664 2 2 15 CYS HB2 H -1.906 -3.266 -3.830 1.00 . B A . 15 CYS HB2 1 1 1 665 2 2 15 CYS HB3 H -3.250 -4.305 -3.371 1.00 . B A . 15 CYS HB3 1 1 1 666 2 2 15 CYS N N -1.634 -6.326 -2.534 1.00 . B A . 15 CYS N 1 1 1 667 2 2 15 CYS O O 0.772 -5.268 -2.454 1.00 . B A . 15 CYS O 1 1 1 668 2 2 15 CYS SG S -2.060 -3.494 -1.468 1.00 . B A . 15 CYS SG 1 1 1 669 2 2 16 THR C C 2.046 -2.591 -3.675 1.00 . B A . 16 THR C 1 1 1 670 2 2 16 THR CA C 1.869 -3.856 -4.469 1.00 . B A . 16 THR CA 1 1 1 671 2 2 16 THR CB C 2.364 -3.696 -5.908 1.00 . B A . 16 THR CB 1 1 1 672 2 2 16 THR CG2 C 2.563 -5.057 -6.559 1.00 . B A . 16 THR CG2 1 1 1 673 2 2 16 THR H H -0.031 -3.996 -5.181 1.00 . B A . 16 THR H 1 1 1 674 2 2 16 THR HA H 2.443 -4.632 -4.002 1.00 . B A . 16 THR HA 1 1 1 675 2 2 16 THR HB H 3.307 -3.168 -5.895 1.00 . B A . 16 THR HB 1 1 1 676 2 2 16 THR HG1 H 1.469 -3.201 -7.577 1.00 . B A . 16 THR HG1 1 1 1 677 2 2 16 THR HG21 H 1.623 -5.589 -6.577 1.00 . B A . 16 THR HG21 1 1 1 678 2 2 16 THR HG22 H 3.288 -5.626 -5.994 1.00 . B A . 16 THR HG22 1 1 1 679 2 2 16 THR HG23 H 2.921 -4.922 -7.568 1.00 . B A . 16 THR HG23 1 1 1 680 2 2 16 THR N N 0.539 -4.263 -4.430 1.00 . B A . 16 THR N 1 1 1 681 2 2 16 THR O O 1.177 -1.755 -3.632 1.00 . B A . 16 THR O 1 1 1 682 2 2 16 THR OG1 O 1.411 -2.940 -6.650 1.00 . B A . 16 THR OG1 1 1 1 683 2 2 17 LYS C C 3.570 -0.086 -3.200 1.00 . B A . 17 LYS C 1 1 1 684 2 2 17 LYS CA C 3.483 -1.282 -2.256 1.00 . B A . 17 LYS CA 1 1 1 685 2 2 17 LYS CB C 4.802 -1.579 -1.572 1.00 . B A . 17 LYS CB 1 1 1 686 2 2 17 LYS CD C 4.283 -0.745 0.732 1.00 . B A . 17 LYS CD 1 1 1 687 2 2 17 LYS CE C 4.947 -0.196 1.982 1.00 . B A . 17 LYS CE 1 1 1 688 2 2 17 LYS CG C 5.238 -0.692 -0.443 1.00 . B A . 17 LYS CG 1 1 1 689 2 2 17 LYS H H 3.776 -3.217 -3.128 1.00 . B A . 17 LYS H 1 1 1 690 2 2 17 LYS HA H 2.713 -1.055 -1.531 1.00 . B A . 17 LYS HA 1 1 1 691 2 2 17 LYS HB2 H 4.702 -2.568 -1.156 1.00 . B A . 17 LYS HB2 1 1 1 692 2 2 17 LYS HB3 H 5.598 -1.621 -2.298 1.00 . B A . 17 LYS HB3 1 1 1 693 2 2 17 LYS HD2 H 3.408 -0.152 0.507 1.00 . B A . 17 LYS HD2 1 1 1 694 2 2 17 LYS HD3 H 3.994 -1.771 0.909 1.00 . B A . 17 LYS HD3 1 1 1 695 2 2 17 LYS HE2 H 5.346 0.783 1.766 1.00 . B A . 17 LYS HE2 1 1 1 696 2 2 17 LYS HE3 H 4.210 -0.118 2.767 1.00 . B A . 17 LYS HE3 1 1 1 697 2 2 17 LYS HG2 H 6.199 -1.061 -0.112 1.00 . B A . 17 LYS HG2 1 1 1 698 2 2 17 LYS HG3 H 5.333 0.323 -0.797 1.00 . B A . 17 LYS HG3 1 1 1 699 2 2 17 LYS HZ1 H 6.549 -0.638 3.246 1.00 . B A . 17 LYS HZ1 1 1 1 700 2 2 17 LYS HZ2 H 6.765 -1.307 1.711 1.00 . B A . 17 LYS HZ2 1 1 1 701 2 2 17 LYS HZ3 H 5.676 -1.977 2.811 1.00 . B A . 17 LYS HZ3 1 1 1 702 2 2 17 LYS N N 3.150 -2.460 -3.054 1.00 . B A . 17 LYS N 1 1 1 703 2 2 17 LYS NZ N 6.055 -1.081 2.445 1.00 . B A . 17 LYS NZ 1 1 1 704 2 2 17 LYS O O 3.286 1.045 -2.826 1.00 . B A . 17 LYS O 1 1 1 705 2 2 18 ARG C C 2.472 1.038 -5.844 1.00 . B A . 18 ARG C 1 1 1 706 2 2 18 ARG CA C 3.900 0.566 -5.535 1.00 . B A . 18 ARG CA 1 1 1 707 2 2 18 ARG CB C 4.453 -0.082 -6.788 1.00 . B A . 18 ARG CB 1 1 1 708 2 2 18 ARG CD C 6.260 -1.349 -7.938 1.00 . B A . 18 ARG CD 1 1 1 709 2 2 18 ARG CG C 5.823 -0.696 -6.642 1.00 . B A . 18 ARG CG 1 1 1 710 2 2 18 ARG CZ C 5.617 -3.585 -8.868 1.00 . B A . 18 ARG CZ 1 1 1 711 2 2 18 ARG H H 4.133 -1.328 -4.611 1.00 . B A . 18 ARG H 1 1 1 712 2 2 18 ARG HA H 4.524 1.405 -5.263 1.00 . B A . 18 ARG HA 1 1 1 713 2 2 18 ARG HB2 H 3.771 -0.858 -7.102 1.00 . B A . 18 ARG HB2 1 1 1 714 2 2 18 ARG HB3 H 4.497 0.672 -7.557 1.00 . B A . 18 ARG HB3 1 1 1 715 2 2 18 ARG HD2 H 6.357 -0.585 -8.694 1.00 . B A . 18 ARG HD2 1 1 1 716 2 2 18 ARG HD3 H 7.219 -1.819 -7.780 1.00 . B A . 18 ARG HD3 1 1 1 717 2 2 18 ARG HE H 4.351 -2.095 -8.400 1.00 . B A . 18 ARG HE 1 1 1 718 2 2 18 ARG HG2 H 6.531 0.076 -6.377 1.00 . B A . 18 ARG HG2 1 1 1 719 2 2 18 ARG HG3 H 5.792 -1.443 -5.862 1.00 . B A . 18 ARG HG3 1 1 1 720 2 2 18 ARG HH11 H 7.646 -3.429 -8.546 1.00 . B A . 18 ARG HH11 1 1 1 721 2 2 18 ARG HH12 H 7.144 -4.894 -9.236 1.00 . B A . 18 ARG HH12 1 1 1 722 2 2 18 ARG HH21 H 3.697 -4.121 -9.335 1.00 . B A . 18 ARG HH21 1 1 1 723 2 2 18 ARG HH22 H 4.875 -5.312 -9.649 1.00 . B A . 18 ARG HH22 1 1 1 724 2 2 18 ARG N N 3.884 -0.395 -4.447 1.00 . B A . 18 ARG N 1 1 1 725 2 2 18 ARG NE N 5.297 -2.368 -8.407 1.00 . B A . 18 ARG NE 1 1 1 726 2 2 18 ARG NH1 N 6.880 -3.995 -8.879 1.00 . B A . 18 ARG NH1 1 1 1 727 2 2 18 ARG NH2 N 4.665 -4.389 -9.317 1.00 . B A . 18 ARG NH2 1 1 1 728 2 2 18 ARG O O 2.263 2.162 -6.310 1.00 . B A . 18 ARG O 1 1 1 729 2 2 19 SER C C -0.363 1.519 -4.840 1.00 . B A . 19 SER C 1 1 1 730 2 2 19 SER CA C 0.123 0.495 -5.863 1.00 . B A . 19 SER CA 1 1 1 731 2 2 19 SER CB C -0.769 -0.785 -5.890 1.00 . B A . 19 SER CB 1 1 1 732 2 2 19 SER H H 1.707 -0.688 -5.176 1.00 . B A . 19 SER H 1 1 1 733 2 2 19 SER HA H 0.103 0.968 -6.834 1.00 . B A . 19 SER HA 1 1 1 734 2 2 19 SER HB2 H -1.669 -0.636 -6.462 1.00 . B A . 19 SER HB2 1 1 1 735 2 2 19 SER HB3 H -0.166 -1.580 -6.320 1.00 . B A . 19 SER HB3 1 1 1 736 2 2 19 SER HG H -0.331 -1.574 -4.165 1.00 . B A . 19 SER HG 1 1 1 737 2 2 19 SER N N 1.497 0.180 -5.579 1.00 . B A . 19 SER N 1 1 1 738 2 2 19 SER O O -0.930 2.545 -5.199 1.00 . B A . 19 SER O 1 1 1 739 2 2 19 SER OG O -1.125 -1.237 -4.600 1.00 . B A . 19 SER OG 1 1 1 740 2 2 20 LEU C C 0.368 3.506 -2.691 1.00 . B A . 20 LEU C 1 1 1 741 2 2 20 LEU CA C -0.437 2.251 -2.514 1.00 . B A . 20 LEU CA 1 1 1 742 2 2 20 LEU CB C -0.291 1.760 -1.045 1.00 . B A . 20 LEU CB 1 1 1 743 2 2 20 LEU CD1 C 0.111 -0.727 -1.022 1.00 . B A . 20 LEU CD1 1 1 1 744 2 2 20 LEU CD2 C -1.143 0.312 0.823 1.00 . B A . 20 LEU CD2 1 1 1 745 2 2 20 LEU CG C -0.841 0.373 -0.654 1.00 . B A . 20 LEU CG 1 1 1 746 2 2 20 LEU H H 0.395 0.436 -3.341 1.00 . B A . 20 LEU H 1 1 1 747 2 2 20 LEU HA H -1.455 2.552 -2.700 1.00 . B A . 20 LEU HA 1 1 1 748 2 2 20 LEU HB2 H 0.707 1.895 -0.660 1.00 . B A . 20 LEU HB2 1 1 1 749 2 2 20 LEU HB3 H -0.892 2.477 -0.511 1.00 . B A . 20 LEU HB3 1 1 1 750 2 2 20 LEU HD11 H -0.318 -1.677 -0.740 1.00 . B A . 20 LEU HD11 1 1 1 751 2 2 20 LEU HD12 H 1.035 -0.583 -0.482 1.00 . B A . 20 LEU HD12 1 1 1 752 2 2 20 LEU HD13 H 0.302 -0.720 -2.085 1.00 . B A . 20 LEU HD13 1 1 1 753 2 2 20 LEU HD21 H -1.518 -0.671 1.066 1.00 . B A . 20 LEU HD21 1 1 1 754 2 2 20 LEU HD22 H -1.878 1.059 1.079 1.00 . B A . 20 LEU HD22 1 1 1 755 2 2 20 LEU HD23 H -0.227 0.490 1.366 1.00 . B A . 20 LEU HD23 1 1 1 756 2 2 20 LEU HG H -1.759 0.200 -1.191 1.00 . B A . 20 LEU HG 1 1 1 757 2 2 20 LEU N N -0.053 1.283 -3.553 1.00 . B A . 20 LEU N 1 1 1 758 2 2 20 LEU O O -0.075 4.594 -2.338 1.00 . B A . 20 LEU O 1 1 1 759 2 2 21 ALA C C 1.795 5.439 -4.545 1.00 . B A . 21 ALA C 1 1 1 760 2 2 21 ALA CA C 2.434 4.463 -3.567 1.00 . B A . 21 ALA CA 1 1 1 761 2 2 21 ALA CB C 3.756 3.977 -4.123 1.00 . B A . 21 ALA CB 1 1 1 762 2 2 21 ALA H H 1.815 2.410 -3.417 1.00 . B A . 21 ALA H 1 1 1 763 2 2 21 ALA HA H 2.628 4.989 -2.645 1.00 . B A . 21 ALA HA 1 1 1 764 2 2 21 ALA HB1 H 4.197 3.267 -3.440 1.00 . B A . 21 ALA HB1 1 1 1 765 2 2 21 ALA HB2 H 4.423 4.816 -4.256 1.00 . B A . 21 ALA HB2 1 1 1 766 2 2 21 ALA HB3 H 3.587 3.498 -5.076 1.00 . B A . 21 ALA HB3 1 1 1 767 2 2 21 ALA N N 1.546 3.343 -3.255 1.00 . B A . 21 ALA N 1 1 1 768 2 2 21 ALA O O 1.948 6.647 -4.405 1.00 . B A . 21 ALA O 1 1 1 769 2 2 22 ARG C C -0.858 6.397 -5.956 1.00 . B A . 22 ARG C 1 1 1 770 2 2 22 ARG CA C 0.452 5.819 -6.493 1.00 . B A . 22 ARG CA 1 1 1 771 2 2 22 ARG CB C 0.263 5.148 -7.866 1.00 . B A . 22 ARG CB 1 1 1 772 2 2 22 ARG CD C -0.755 3.335 -9.271 1.00 . B A . 22 ARG CD 1 1 1 773 2 2 22 ARG CG C -0.733 4.008 -7.906 1.00 . B A . 22 ARG CG 1 1 1 774 2 2 22 ARG CZ C -1.872 4.109 -11.376 1.00 . B A . 22 ARG CZ 1 1 1 775 2 2 22 ARG H H 0.983 3.957 -5.605 1.00 . B A . 22 ARG H 1 1 1 776 2 2 22 ARG HA H 1.135 6.650 -6.605 1.00 . B A . 22 ARG HA 1 1 1 777 2 2 22 ARG HB2 H -0.077 5.898 -8.564 1.00 . B A . 22 ARG HB2 1 1 1 778 2 2 22 ARG HB3 H 1.218 4.776 -8.205 1.00 . B A . 22 ARG HB3 1 1 1 779 2 2 22 ARG HD2 H 0.198 2.855 -9.432 1.00 . B A . 22 ARG HD2 1 1 1 780 2 2 22 ARG HD3 H -1.535 2.590 -9.273 1.00 . B A . 22 ARG HD3 1 1 1 781 2 2 22 ARG HE H -0.435 5.099 -10.342 1.00 . B A . 22 ARG HE 1 1 1 782 2 2 22 ARG HG2 H -0.460 3.278 -7.159 1.00 . B A . 22 ARG HG2 1 1 1 783 2 2 22 ARG HG3 H -1.717 4.396 -7.688 1.00 . B A . 22 ARG HG3 1 1 1 784 2 2 22 ARG HH11 H -2.607 2.308 -10.701 1.00 . B A . 22 ARG HH11 1 1 1 785 2 2 22 ARG HH12 H -3.313 2.873 -12.145 1.00 . B A . 22 ARG HH12 1 1 1 786 2 2 22 ARG HH21 H -1.403 5.850 -12.343 1.00 . B A . 22 ARG HH21 1 1 1 787 2 2 22 ARG HH22 H -2.592 4.916 -13.124 1.00 . B A . 22 ARG HH22 1 1 1 788 2 2 22 ARG N N 1.074 4.932 -5.523 1.00 . B A . 22 ARG N 1 1 1 789 2 2 22 ARG NE N -1.000 4.293 -10.370 1.00 . B A . 22 ARG NE 1 1 1 790 2 2 22 ARG NH1 N -2.646 3.020 -11.407 1.00 . B A . 22 ARG NH1 1 1 1 791 2 2 22 ARG NH2 N -1.966 5.020 -12.345 1.00 . B A . 22 ARG NH2 1 1 1 792 2 2 22 ARG O O -1.408 7.339 -6.521 1.00 . B A . 22 ARG O 1 1 1 793 2 2 23 PHE C C -2.251 7.355 -3.164 1.00 . B A . 23 PHE C 1 1 1 794 2 2 23 PHE CA C -2.563 6.351 -4.246 1.00 . B A . 23 PHE CA 1 1 1 795 2 2 23 PHE CB C -3.484 5.243 -3.713 1.00 . B A . 23 PHE CB 1 1 1 796 2 2 23 PHE CD1 C -5.377 5.081 -5.346 1.00 . B A . 23 PHE CD1 1 1 1 797 2 2 23 PHE CD2 C -3.868 3.249 -5.198 1.00 . B A . 23 PHE CD2 1 1 1 798 2 2 23 PHE CE1 C -6.101 4.414 -6.310 1.00 . B A . 23 PHE CE1 1 1 1 799 2 2 23 PHE CE2 C -4.586 2.574 -6.166 1.00 . B A . 23 PHE CE2 1 1 1 800 2 2 23 PHE CG C -4.251 4.507 -4.779 1.00 . B A . 23 PHE CG 1 1 1 801 2 2 23 PHE CZ C -5.705 3.157 -6.722 1.00 . B A . 23 PHE CZ 1 1 1 802 2 2 23 PHE H H -0.879 5.070 -4.483 1.00 . B A . 23 PHE H 1 1 1 803 2 2 23 PHE HA H -3.089 6.893 -5.013 1.00 . B A . 23 PHE HA 1 1 1 804 2 2 23 PHE HB2 H -2.887 4.519 -3.179 1.00 . B A . 23 PHE HB2 1 1 1 805 2 2 23 PHE HB3 H -4.195 5.681 -3.030 1.00 . B A . 23 PHE HB3 1 1 1 806 2 2 23 PHE HD1 H -5.687 6.065 -5.027 1.00 . B A . 23 PHE HD1 1 1 1 807 2 2 23 PHE HD2 H -2.991 2.791 -4.765 1.00 . B A . 23 PHE HD2 1 1 1 808 2 2 23 PHE HE1 H -6.975 4.877 -6.743 1.00 . B A . 23 PHE HE1 1 1 1 809 2 2 23 PHE HE2 H -4.271 1.591 -6.484 1.00 . B A . 23 PHE HE2 1 1 1 810 2 2 23 PHE HZ H -6.271 2.631 -7.477 1.00 . B A . 23 PHE HZ 1 1 1 811 2 2 23 PHE N N -1.353 5.836 -4.869 1.00 . B A . 23 PHE N 1 1 1 812 2 2 23 PHE O O -2.707 8.492 -3.221 1.00 . B A . 23 PHE O 1 1 1 813 2 2 24 CYS C C -2.233 8.017 -0.093 1.00 . B A . 24 CYS C 1 1 1 814 2 2 24 CYS CA C -1.060 7.745 -1.039 1.00 . B A . 24 CYS CA 1 1 1 815 2 2 24 CYS CB C -0.361 9.057 -1.429 1.00 . B A . 24 CYS CB 1 1 1 816 2 2 24 CYS H H -1.102 6.021 -2.320 1.00 . B A . 24 CYS H 1 1 1 817 2 2 24 CYS HA H -0.359 7.135 -0.489 1.00 . B A . 24 CYS HA 1 1 1 818 2 2 24 CYS HB2 H -1.001 9.618 -2.092 1.00 . B A . 24 CYS HB2 1 1 1 819 2 2 24 CYS HB3 H -0.185 9.633 -0.535 1.00 . B A . 24 CYS HB3 1 1 1 820 2 2 24 CYS N N -1.453 6.933 -2.212 1.00 . B A . 24 CYS N 1 1 1 821 2 2 24 CYS O O -2.350 7.387 0.955 1.00 . B A . 24 CYS O 1 1 1 822 2 2 24 CYS SG S 1.231 8.845 -2.266 1.00 . B A . 24 CYS SG 1 1 1 823 2 2 25 NH2 HN1 H -2.933 9.426 -1.286 1.00 . B A . 25 NH2 HN1 1 1 1 824 2 2 25 NH2 HN2 H -3.822 9.160 0.172 1.00 . B A . 25 NH2 HN2 1 1 1 825 2 2 25 NH2 N N -3.080 8.962 -0.435 1.00 . B A . 25 NH2 N 1 1 2 826 1 1 1 ASP C C 11.913 -1.414 -0.357 1.00 . A B . 1 ASP C 1 1 2 827 1 1 1 ASP CA C 12.108 -1.818 1.083 1.00 . A B . 1 ASP CA 1 1 2 828 1 1 1 ASP CB C 13.383 -2.646 1.214 1.00 . A B . 1 ASP CB 1 1 2 829 1 1 1 ASP CG C 14.573 -1.968 0.560 1.00 . A B . 1 ASP CG 1 1 2 830 1 1 1 ASP H1 H 10.112 -1.903 1.649 1.00 . A B . 1 ASP H1 1 1 2 831 1 1 1 ASP H2 H 11.135 -2.845 2.599 1.00 . A B . 1 ASP H2 1 1 2 832 1 1 1 ASP H3 H 10.699 -3.351 1.042 1.00 . A B . 1 ASP H3 1 1 2 833 1 1 1 ASP HA H 12.229 -0.911 1.652 1.00 . A B . 1 ASP HA 1 1 2 834 1 1 1 ASP HB2 H 13.592 -2.817 2.257 1.00 . A B . 1 ASP HB2 1 1 2 835 1 1 1 ASP HB3 H 13.227 -3.598 0.730 1.00 . A B . 1 ASP HB3 1 1 2 836 1 1 1 ASP N N 10.947 -2.520 1.630 1.00 . A B . 1 ASP N 1 1 2 837 1 1 1 ASP O O 12.015 -0.232 -0.700 1.00 . A B . 1 ASP O 1 1 2 838 1 1 1 ASP OD1 O 14.858 -0.797 0.872 1.00 . A B . 1 ASP OD1 1 1 2 839 1 1 1 ASP OD2 O 15.205 -2.576 -0.321 1.00 . A B . 1 ASP OD2 1 1 2 840 1 1 2 SER C C 10.184 -1.537 -2.929 1.00 . A B . 2 SER C 1 1 2 841 1 1 2 SER CA C 11.524 -2.156 -2.607 1.00 . A B . 2 SER CA 1 1 2 842 1 1 2 SER CB C 11.706 -3.457 -3.337 1.00 . A B . 2 SER CB 1 1 2 843 1 1 2 SER H H 11.512 -3.286 -0.834 1.00 . A B . 2 SER H 1 1 2 844 1 1 2 SER HA H 12.306 -1.475 -2.909 1.00 . A B . 2 SER HA 1 1 2 845 1 1 2 SER HB2 H 10.836 -4.068 -3.161 1.00 . A B . 2 SER HB2 1 1 2 846 1 1 2 SER HB3 H 11.790 -3.260 -4.395 1.00 . A B . 2 SER HB3 1 1 2 847 1 1 2 SER HG H 13.540 -3.376 -2.779 1.00 . A B . 2 SER HG 1 1 2 848 1 1 2 SER N N 11.654 -2.381 -1.187 1.00 . A B . 2 SER N 1 1 2 849 1 1 2 SER O O 9.175 -1.820 -2.276 1.00 . A B . 2 SER O 1 1 2 850 1 1 2 SER OG O 12.899 -4.090 -2.888 1.00 . A B . 2 SER OG 1 1 2 851 1 1 3 TRP C C 8.191 -0.564 -5.344 1.00 . A B . 3 TRP C 1 1 2 852 1 1 3 TRP CA C 8.999 0.057 -4.210 1.00 . A B . 3 TRP CA 1 1 2 853 1 1 3 TRP CB C 9.267 1.551 -4.432 1.00 . A B . 3 TRP CB 1 1 2 854 1 1 3 TRP CD1 C 10.964 3.032 -3.190 1.00 . A B . 3 TRP CD1 1 1 2 855 1 1 3 TRP CD2 C 9.388 2.161 -1.859 1.00 . A B . 3 TRP CD2 1 1 2 856 1 1 3 TRP CE2 C 10.252 2.948 -1.075 1.00 . A B . 3 TRP CE2 1 1 2 857 1 1 3 TRP CE3 C 8.322 1.507 -1.232 1.00 . A B . 3 TRP CE3 1 1 2 858 1 1 3 TRP CG C 9.856 2.241 -3.220 1.00 . A B . 3 TRP CG 1 1 2 859 1 1 3 TRP CH2 C 9.026 2.435 0.877 1.00 . A B . 3 TRP CH2 1 1 2 860 1 1 3 TRP CZ2 C 10.080 3.094 0.300 1.00 . A B . 3 TRP CZ2 1 1 2 861 1 1 3 TRP CZ3 C 8.159 1.653 0.124 1.00 . A B . 3 TRP CZ3 1 1 2 862 1 1 3 TRP H H 11.028 -0.521 -4.365 1.00 . A B . 3 TRP H 1 1 2 863 1 1 3 TRP HA H 8.376 -0.026 -3.334 1.00 . A B . 3 TRP HA 1 1 2 864 1 1 3 TRP HB2 H 9.958 1.668 -5.253 1.00 . A B . 3 TRP HB2 1 1 2 865 1 1 3 TRP HB3 H 8.337 2.042 -4.676 1.00 . A B . 3 TRP HB3 1 1 2 866 1 1 3 TRP HD1 H 11.543 3.279 -4.064 1.00 . A B . 3 TRP HD1 1 1 2 867 1 1 3 TRP HE1 H 11.936 4.071 -1.635 1.00 . A B . 3 TRP HE1 1 1 2 868 1 1 3 TRP HE3 H 7.627 0.895 -1.785 1.00 . A B . 3 TRP HE3 1 1 2 869 1 1 3 TRP HH2 H 8.835 2.504 1.937 1.00 . A B . 3 TRP HH2 1 1 2 870 1 1 3 TRP HZ2 H 10.744 3.698 0.899 1.00 . A B . 3 TRP HZ2 1 1 2 871 1 1 3 TRP HZ3 H 7.345 1.146 0.619 1.00 . A B . 3 TRP HZ3 1 1 2 872 1 1 3 TRP N N 10.190 -0.658 -3.872 1.00 . A B . 3 TRP N 1 1 2 873 1 1 3 TRP NE1 N 11.201 3.476 -1.911 1.00 . A B . 3 TRP NE1 1 1 2 874 1 1 3 TRP O O 6.991 -0.841 -5.167 1.00 . A B . 3 TRP O 1 1 2 875 1 1 4 MET C C 7.438 -2.590 -7.488 1.00 . A B . 4 MET C 1 1 2 876 1 1 4 MET CA C 8.094 -1.248 -7.699 1.00 . A B . 4 MET CA 1 1 2 877 1 1 4 MET CB C 8.986 -1.373 -8.949 1.00 . A B . 4 MET CB 1 1 2 878 1 1 4 MET CE C 11.874 1.577 -9.364 1.00 . A B . 4 MET CE 1 1 2 879 1 1 4 MET CG C 9.731 -0.133 -9.416 1.00 . A B . 4 MET CG 1 1 2 880 1 1 4 MET H H 9.810 -0.697 -6.548 1.00 . A B . 4 MET H 1 1 2 881 1 1 4 MET HA H 7.327 -0.515 -7.900 1.00 . A B . 4 MET HA 1 1 2 882 1 1 4 MET HB2 H 9.725 -2.133 -8.756 1.00 . A B . 4 MET HB2 1 1 2 883 1 1 4 MET HB3 H 8.364 -1.719 -9.762 1.00 . A B . 4 MET HB3 1 1 2 884 1 1 4 MET HE1 H 12.162 1.108 -10.293 1.00 . A B . 4 MET HE1 1 1 2 885 1 1 4 MET HE2 H 12.756 1.953 -8.864 1.00 . A B . 4 MET HE2 1 1 2 886 1 1 4 MET HE3 H 11.198 2.393 -9.570 1.00 . A B . 4 MET HE3 1 1 2 887 1 1 4 MET HG2 H 10.160 -0.335 -10.386 1.00 . A B . 4 MET HG2 1 1 2 888 1 1 4 MET HG3 H 9.026 0.680 -9.503 1.00 . A B . 4 MET HG3 1 1 2 889 1 1 4 MET N N 8.834 -0.808 -6.500 1.00 . A B . 4 MET N 1 1 2 890 1 1 4 MET O O 6.244 -2.767 -7.773 1.00 . A B . 4 MET O 1 1 2 891 1 1 4 MET SD S 11.061 0.373 -8.322 1.00 . A B . 4 MET SD 1 1 2 892 1 1 5 GLU C C 7.893 -5.323 -5.358 1.00 . A B . 5 GLU C 1 1 2 893 1 1 5 GLU CA C 7.657 -4.828 -6.763 1.00 . A B . 5 GLU CA 1 1 2 894 1 1 5 GLU CB C 8.175 -5.822 -7.807 1.00 . A B . 5 GLU CB 1 1 2 895 1 1 5 GLU CD C 7.988 -8.148 -8.761 1.00 . A B . 5 GLU CD 1 1 2 896 1 1 5 GLU CG C 7.494 -7.176 -7.730 1.00 . A B . 5 GLU CG 1 1 2 897 1 1 5 GLU H H 9.109 -3.325 -6.691 1.00 . A B . 5 GLU H 1 1 2 898 1 1 5 GLU HA H 6.588 -4.740 -6.892 1.00 . A B . 5 GLU HA 1 1 2 899 1 1 5 GLU HB2 H 8.006 -5.412 -8.791 1.00 . A B . 5 GLU HB2 1 1 2 900 1 1 5 GLU HB3 H 9.235 -5.964 -7.660 1.00 . A B . 5 GLU HB3 1 1 2 901 1 1 5 GLU HG2 H 7.672 -7.594 -6.751 1.00 . A B . 5 GLU HG2 1 1 2 902 1 1 5 GLU HG3 H 6.432 -7.035 -7.863 1.00 . A B . 5 GLU HG3 1 1 2 903 1 1 5 GLU N N 8.183 -3.523 -6.955 1.00 . A B . 5 GLU N 1 1 2 904 1 1 5 GLU O O 8.915 -5.948 -5.046 1.00 . A B . 5 GLU O 1 1 2 905 1 1 5 GLU OE1 O 7.487 -8.133 -9.899 1.00 . A B . 5 GLU OE1 1 1 2 906 1 1 5 GLU OE2 O 8.858 -8.980 -8.442 1.00 . A B . 5 GLU OE2 1 1 2 907 1 1 6 GLU C C 5.490 -5.654 -2.919 1.00 . A B . 6 GLU C 1 1 2 908 1 1 6 GLU CA C 6.942 -5.462 -3.183 1.00 . A B . 6 GLU CA 1 1 2 909 1 1 6 GLU CB C 7.530 -4.470 -2.194 1.00 . A B . 6 GLU CB 1 1 2 910 1 1 6 GLU CD C 8.731 -4.223 0.025 1.00 . A B . 6 GLU CD 1 1 2 911 1 1 6 GLU CG C 7.863 -5.090 -0.847 1.00 . A B . 6 GLU CG 1 1 2 912 1 1 6 GLU H H 6.274 -4.370 -4.796 1.00 . A B . 6 GLU H 1 1 2 913 1 1 6 GLU HA H 7.455 -6.412 -3.136 1.00 . A B . 6 GLU HA 1 1 2 914 1 1 6 GLU HB2 H 8.353 -3.900 -2.596 1.00 . A B . 6 GLU HB2 1 1 2 915 1 1 6 GLU HB3 H 6.713 -3.791 -2.010 1.00 . A B . 6 GLU HB3 1 1 2 916 1 1 6 GLU HG2 H 6.938 -5.277 -0.320 1.00 . A B . 6 GLU HG2 1 1 2 917 1 1 6 GLU HG3 H 8.362 -6.032 -1.016 1.00 . A B . 6 GLU HG3 1 1 2 918 1 1 6 GLU N N 6.986 -4.981 -4.515 1.00 . A B . 6 GLU N 1 1 2 919 1 1 6 GLU O O 4.675 -4.913 -3.472 1.00 . A B . 6 GLU O 1 1 2 920 1 1 6 GLU OE1 O 8.193 -3.429 0.829 1.00 . A B . 6 GLU OE1 1 1 2 921 1 1 6 GLU OE2 O 9.981 -4.358 -0.023 1.00 . A B . 6 GLU OE2 1 1 2 922 1 1 7 VAL C C 3.465 -7.187 -0.451 1.00 . A B . 7 VAL C 1 1 2 923 1 1 7 VAL CA C 3.779 -6.951 -1.919 1.00 . A B . 7 VAL CA 1 1 2 924 1 1 7 VAL CB C 3.396 -8.201 -2.793 1.00 . A B . 7 VAL CB 1 1 2 925 1 1 7 VAL CG1 C 4.219 -9.432 -2.427 1.00 . A B . 7 VAL CG1 1 1 2 926 1 1 7 VAL CG2 C 1.901 -8.501 -2.727 1.00 . A B . 7 VAL CG2 1 1 2 927 1 1 7 VAL H H 5.877 -6.999 -1.584 1.00 . A B . 7 VAL H 1 1 2 928 1 1 7 VAL HA H 3.183 -6.114 -2.254 1.00 . A B . 7 VAL HA 1 1 2 929 1 1 7 VAL HB H 3.644 -7.954 -3.816 1.00 . A B . 7 VAL HB 1 1 2 930 1 1 7 VAL HG11 H 3.924 -10.262 -3.051 1.00 . A B . 7 VAL HG11 1 1 2 931 1 1 7 VAL HG12 H 4.046 -9.684 -1.391 1.00 . A B . 7 VAL HG12 1 1 2 932 1 1 7 VAL HG13 H 5.268 -9.223 -2.576 1.00 . A B . 7 VAL HG13 1 1 2 933 1 1 7 VAL HG21 H 1.618 -8.702 -1.705 1.00 . A B . 7 VAL HG21 1 1 2 934 1 1 7 VAL HG22 H 1.681 -9.364 -3.339 1.00 . A B . 7 VAL HG22 1 1 2 935 1 1 7 VAL HG23 H 1.344 -7.651 -3.091 1.00 . A B . 7 VAL HG23 1 1 2 936 1 1 7 VAL N N 5.163 -6.584 -2.109 1.00 . A B . 7 VAL N 1 1 2 937 1 1 7 VAL O O 4.281 -7.759 0.301 1.00 . A B . 7 VAL O 1 1 2 938 1 1 8 ILE C C 0.380 -7.183 1.281 1.00 . A B . 8 ILE C 1 1 2 939 1 1 8 ILE CA C 1.849 -6.838 1.316 1.00 . A B . 8 ILE CA 1 1 2 940 1 1 8 ILE CB C 2.052 -5.551 2.168 1.00 . A B . 8 ILE CB 1 1 2 941 1 1 8 ILE CD1 C 1.564 -3.030 2.203 1.00 . A B . 8 ILE CD1 1 1 2 942 1 1 8 ILE CG1 C 1.370 -4.355 1.494 1.00 . A B . 8 ILE CG1 1 1 2 943 1 1 8 ILE CG2 C 3.534 -5.283 2.427 1.00 . A B . 8 ILE CG2 1 1 2 944 1 1 8 ILE H H 1.748 -6.221 -0.676 1.00 . A B . 8 ILE H 1 1 2 945 1 1 8 ILE HA H 2.384 -7.655 1.775 1.00 . A B . 8 ILE HA 1 1 2 946 1 1 8 ILE HB H 1.585 -5.721 3.126 1.00 . A B . 8 ILE HB 1 1 2 947 1 1 8 ILE HD11 H 1.127 -3.078 3.189 1.00 . A B . 8 ILE HD11 1 1 2 948 1 1 8 ILE HD12 H 1.083 -2.247 1.638 1.00 . A B . 8 ILE HD12 1 1 2 949 1 1 8 ILE HD13 H 2.619 -2.817 2.288 1.00 . A B . 8 ILE HD13 1 1 2 950 1 1 8 ILE HG12 H 1.752 -4.280 0.490 1.00 . A B . 8 ILE HG12 1 1 2 951 1 1 8 ILE HG13 H 0.309 -4.557 1.439 1.00 . A B . 8 ILE HG13 1 1 2 952 1 1 8 ILE HG21 H 4.048 -5.165 1.484 1.00 . A B . 8 ILE HG21 1 1 2 953 1 1 8 ILE HG22 H 3.963 -6.110 2.973 1.00 . A B . 8 ILE HG22 1 1 2 954 1 1 8 ILE HG23 H 3.636 -4.378 3.007 1.00 . A B . 8 ILE HG23 1 1 2 955 1 1 8 ILE N N 2.330 -6.695 -0.036 1.00 . A B . 8 ILE N 1 1 2 956 1 1 8 ILE O O -0.240 -7.165 0.213 1.00 . A B . 8 ILE O 1 1 2 957 1 1 9 LYS C C -2.088 -7.148 3.818 1.00 . A B . 9 LYS C 1 1 2 958 1 1 9 LYS CA C -1.556 -7.835 2.576 1.00 . A B . 9 LYS CA 1 1 2 959 1 1 9 LYS CB C -1.767 -9.356 2.713 1.00 . A B . 9 LYS CB 1 1 2 960 1 1 9 LYS CD C -1.581 -11.664 1.770 1.00 . A B . 9 LYS CD 1 1 2 961 1 1 9 LYS CE C -1.299 -12.524 0.545 1.00 . A B . 9 LYS CE 1 1 2 962 1 1 9 LYS CG C -1.420 -10.176 1.487 1.00 . A B . 9 LYS CG 1 1 2 963 1 1 9 LYS H H 0.413 -7.456 3.219 1.00 . A B . 9 LYS H 1 1 2 964 1 1 9 LYS HA H -2.071 -7.481 1.694 1.00 . A B . 9 LYS HA 1 1 2 965 1 1 9 LYS HB2 H -1.157 -9.712 3.529 1.00 . A B . 9 LYS HB2 1 1 2 966 1 1 9 LYS HB3 H -2.804 -9.534 2.959 1.00 . A B . 9 LYS HB3 1 1 2 967 1 1 9 LYS HD2 H -0.889 -11.942 2.552 1.00 . A B . 9 LYS HD2 1 1 2 968 1 1 9 LYS HD3 H -2.591 -11.847 2.106 1.00 . A B . 9 LYS HD3 1 1 2 969 1 1 9 LYS HE2 H -1.452 -13.561 0.802 1.00 . A B . 9 LYS HE2 1 1 2 970 1 1 9 LYS HE3 H -1.991 -12.245 -0.236 1.00 . A B . 9 LYS HE3 1 1 2 971 1 1 9 LYS HG2 H -2.082 -9.892 0.681 1.00 . A B . 9 LYS HG2 1 1 2 972 1 1 9 LYS HG3 H -0.398 -9.962 1.213 1.00 . A B . 9 LYS HG3 1 1 2 973 1 1 9 LYS HZ1 H 0.279 -11.379 -0.235 1.00 . A B . 9 LYS HZ1 1 1 2 974 1 1 9 LYS HZ2 H 0.241 -12.954 -0.796 1.00 . A B . 9 LYS HZ2 1 1 2 975 1 1 9 LYS HZ3 H 0.780 -12.629 0.759 1.00 . A B . 9 LYS HZ3 1 1 2 976 1 1 9 LYS N N -0.155 -7.494 2.422 1.00 . A B . 9 LYS N 1 1 2 977 1 1 9 LYS NZ N 0.079 -12.361 0.044 1.00 . A B . 9 LYS NZ 1 1 2 978 1 1 9 LYS O O -2.027 -7.703 4.925 1.00 . A B . 9 LYS O 1 1 2 979 1 1 10 LEU C C -4.422 -4.670 4.530 1.00 . A B . 10 LEU C 1 1 2 980 1 1 10 LEU CA C -3.057 -5.160 4.769 1.00 . A B . 10 LEU CA 1 1 2 981 1 1 10 LEU CB C -2.186 -3.998 5.205 1.00 . A B . 10 LEU CB 1 1 2 982 1 1 10 LEU CD1 C -1.474 -5.266 7.289 1.00 . A B . 10 LEU CD1 1 1 2 983 1 1 10 LEU CD2 C 0.247 -4.622 5.540 1.00 . A B . 10 LEU CD2 1 1 2 984 1 1 10 LEU CG C -1.070 -4.280 6.195 1.00 . A B . 10 LEU CG 1 1 2 985 1 1 10 LEU H H -2.534 -5.557 2.755 1.00 . A B . 10 LEU H 1 1 2 986 1 1 10 LEU HA H -3.154 -5.823 5.613 1.00 . A B . 10 LEU HA 1 1 2 987 1 1 10 LEU HB2 H -1.737 -3.583 4.315 1.00 . A B . 10 LEU HB2 1 1 2 988 1 1 10 LEU HB3 H -2.828 -3.238 5.627 1.00 . A B . 10 LEU HB3 1 1 2 989 1 1 10 LEU HD11 H -0.663 -5.362 7.994 1.00 . A B . 10 LEU HD11 1 1 2 990 1 1 10 LEU HD12 H -1.666 -6.237 6.855 1.00 . A B . 10 LEU HD12 1 1 2 991 1 1 10 LEU HD13 H -2.355 -4.905 7.797 1.00 . A B . 10 LEU HD13 1 1 2 992 1 1 10 LEU HD21 H 0.608 -3.768 4.988 1.00 . A B . 10 LEU HD21 1 1 2 993 1 1 10 LEU HD22 H 0.113 -5.461 4.876 1.00 . A B . 10 LEU HD22 1 1 2 994 1 1 10 LEU HD23 H 0.962 -4.885 6.306 1.00 . A B . 10 LEU HD23 1 1 2 995 1 1 10 LEU HG H -0.985 -3.332 6.694 1.00 . A B . 10 LEU HG 1 1 2 996 1 1 10 LEU N N -2.529 -5.939 3.661 1.00 . A B . 10 LEU N 1 1 2 997 1 1 10 LEU O O -4.990 -4.847 3.453 1.00 . A B . 10 LEU O 1 1 2 998 1 1 11 CYS C C -6.402 -2.369 6.462 1.00 . A B . 11 CYS C 1 1 2 999 1 1 11 CYS CA C -6.310 -3.555 5.509 1.00 . A B . 11 CYS CA 1 1 2 1000 1 1 11 CYS CB C -7.228 -4.633 6.070 1.00 . A B . 11 CYS CB 1 1 2 1001 1 1 11 CYS H H -4.374 -3.817 6.325 1.00 . A B . 11 CYS H 1 1 2 1002 1 1 11 CYS HA H -6.612 -3.298 4.505 1.00 . A B . 11 CYS HA 1 1 2 1003 1 1 11 CYS HB2 H -6.887 -4.603 7.085 1.00 . A B . 11 CYS HB2 1 1 2 1004 1 1 11 CYS HB3 H -8.266 -4.342 6.001 1.00 . A B . 11 CYS HB3 1 1 2 1005 1 1 11 CYS N N -4.947 -4.025 5.542 1.00 . A B . 11 CYS N 1 1 2 1006 1 1 11 CYS O O -5.467 -2.145 7.253 1.00 . A B . 11 CYS O 1 1 2 1007 1 1 11 CYS SG S -6.996 -6.370 5.492 1.00 . A B . 11 CYS SG 1 1 2 1008 1 1 12 GLY C C -6.654 0.444 7.511 1.00 . A B . 12 GLY C 1 1 2 1009 1 1 12 GLY CA C -7.785 -0.534 7.309 1.00 . A B . 12 GLY CA 1 1 2 1010 1 1 12 GLY H H -8.127 -1.779 5.643 1.00 . A B . 12 GLY H 1 1 2 1011 1 1 12 GLY HA2 H -8.648 0.014 6.962 1.00 . A B . 12 GLY HA2 1 1 2 1012 1 1 12 GLY HA3 H -8.030 -0.978 8.263 1.00 . A B . 12 GLY HA3 1 1 2 1013 1 1 12 GLY N N -7.490 -1.612 6.371 1.00 . A B . 12 GLY N 1 1 2 1014 1 1 12 GLY O O -5.970 0.841 6.559 1.00 . A B . 12 GLY O 1 1 2 1015 1 1 13 ARG C C -3.993 1.101 9.068 1.00 . A B . 13 ARG C 1 1 2 1016 1 1 13 ARG CA C -5.385 1.746 9.070 1.00 . A B . 13 ARG CA 1 1 2 1017 1 1 13 ARG CB C -5.683 2.561 10.360 1.00 . A B . 13 ARG CB 1 1 2 1018 1 1 13 ARG CD C -6.247 0.555 11.853 1.00 . A B . 13 ARG CD 1 1 2 1019 1 1 13 ARG CG C -5.489 1.864 11.714 1.00 . A B . 13 ARG CG 1 1 2 1020 1 1 13 ARG CZ C -8.492 -0.397 11.403 1.00 . A B . 13 ARG CZ 1 1 2 1021 1 1 13 ARG H H -6.980 0.425 9.462 1.00 . A B . 13 ARG H 1 1 2 1022 1 1 13 ARG HA H -5.384 2.430 8.232 1.00 . A B . 13 ARG HA 1 1 2 1023 1 1 13 ARG HB2 H -5.047 3.433 10.361 1.00 . A B . 13 ARG HB2 1 1 2 1024 1 1 13 ARG HB3 H -6.708 2.898 10.299 1.00 . A B . 13 ARG HB3 1 1 2 1025 1 1 13 ARG HD2 H -5.826 -0.157 11.157 1.00 . A B . 13 ARG HD2 1 1 2 1026 1 1 13 ARG HD3 H -6.105 0.184 12.858 1.00 . A B . 13 ARG HD3 1 1 2 1027 1 1 13 ARG HE H -8.055 1.576 11.573 1.00 . A B . 13 ARG HE 1 1 2 1028 1 1 13 ARG HG2 H -4.438 1.661 11.845 1.00 . A B . 13 ARG HG2 1 1 2 1029 1 1 13 ARG HG3 H -5.812 2.545 12.489 1.00 . A B . 13 ARG HG3 1 1 2 1030 1 1 13 ARG HH11 H -6.987 -1.822 11.441 1.00 . A B . 13 ARG HH11 1 1 2 1031 1 1 13 ARG HH12 H -8.570 -2.442 11.241 1.00 . A B . 13 ARG HH12 1 1 2 1032 1 1 13 ARG HH21 H -10.181 0.717 11.188 1.00 . A B . 13 ARG HH21 1 1 2 1033 1 1 13 ARG HH22 H -10.427 -0.983 11.120 1.00 . A B . 13 ARG HH22 1 1 2 1034 1 1 13 ARG N N -6.424 0.798 8.746 1.00 . A B . 13 ARG N 1 1 2 1035 1 1 13 ARG NE N -7.686 0.661 11.584 1.00 . A B . 13 ARG NE 1 1 2 1036 1 1 13 ARG NH1 N -7.979 -1.637 11.354 1.00 . A B . 13 ARG NH1 1 1 2 1037 1 1 13 ARG NH2 N -9.791 -0.210 11.214 1.00 . A B . 13 ARG NH2 1 1 2 1038 1 1 13 ARG O O -2.992 1.795 9.077 1.00 . A B . 13 ARG O 1 1 2 1039 1 1 14 GLU C C -2.139 -0.747 7.493 1.00 . A B . 14 GLU C 1 1 2 1040 1 1 14 GLU CA C -2.658 -0.933 8.899 1.00 . A B . 14 GLU CA 1 1 2 1041 1 1 14 GLU CB C -2.822 -2.433 9.197 1.00 . A B . 14 GLU CB 1 1 2 1042 1 1 14 GLU CD C -4.097 -2.099 11.385 1.00 . A B . 14 GLU CD 1 1 2 1043 1 1 14 GLU CG C -2.987 -2.815 10.669 1.00 . A B . 14 GLU CG 1 1 2 1044 1 1 14 GLU H H -4.742 -0.801 8.926 1.00 . A B . 14 GLU H 1 1 2 1045 1 1 14 GLU HA H -1.973 -0.486 9.603 1.00 . A B . 14 GLU HA 1 1 2 1046 1 1 14 GLU HB2 H -3.692 -2.790 8.667 1.00 . A B . 14 GLU HB2 1 1 2 1047 1 1 14 GLU HB3 H -1.954 -2.946 8.809 1.00 . A B . 14 GLU HB3 1 1 2 1048 1 1 14 GLU HG2 H -3.189 -3.874 10.727 1.00 . A B . 14 GLU HG2 1 1 2 1049 1 1 14 GLU HG3 H -2.056 -2.609 11.177 1.00 . A B . 14 GLU HG3 1 1 2 1050 1 1 14 GLU N N -3.936 -0.239 8.983 1.00 . A B . 14 GLU N 1 1 2 1051 1 1 14 GLU O O -0.926 -0.709 7.233 1.00 . A B . 14 GLU O 1 1 2 1052 1 1 14 GLU OE1 O -5.300 -2.380 11.113 1.00 . A B . 14 GLU OE1 1 1 2 1053 1 1 14 GLU OE2 O -3.798 -1.281 12.262 1.00 . A B . 14 GLU OE2 1 1 2 1054 1 1 15 LEU C C -2.371 1.065 5.065 1.00 . A B . 15 LEU C 1 1 2 1055 1 1 15 LEU CA C -2.841 -0.368 5.211 1.00 . A B . 15 LEU CA 1 1 2 1056 1 1 15 LEU CB C -4.168 -0.499 4.494 1.00 . A B . 15 LEU CB 1 1 2 1057 1 1 15 LEU CD1 C -3.720 -2.017 2.636 1.00 . A B . 15 LEU CD1 1 1 2 1058 1 1 15 LEU CD2 C -5.517 -0.336 2.452 1.00 . A B . 15 LEU CD2 1 1 2 1059 1 1 15 LEU CG C -4.151 -0.628 3.001 1.00 . A B . 15 LEU CG 1 1 2 1060 1 1 15 LEU H H -4.019 -0.677 6.903 1.00 . A B . 15 LEU H 1 1 2 1061 1 1 15 LEU HA H -2.138 -1.078 4.805 1.00 . A B . 15 LEU HA 1 1 2 1062 1 1 15 LEU HB2 H -4.673 -1.366 4.892 1.00 . A B . 15 LEU HB2 1 1 2 1063 1 1 15 LEU HB3 H -4.757 0.370 4.749 1.00 . A B . 15 LEU HB3 1 1 2 1064 1 1 15 LEU HD11 H -3.805 -2.174 1.571 1.00 . A B . 15 LEU HD11 1 1 2 1065 1 1 15 LEU HD12 H -4.352 -2.712 3.182 1.00 . A B . 15 LEU HD12 1 1 2 1066 1 1 15 LEU HD13 H -2.700 -2.169 2.952 1.00 . A B . 15 LEU HD13 1 1 2 1067 1 1 15 LEU HD21 H -5.817 0.661 2.736 1.00 . A B . 15 LEU HD21 1 1 2 1068 1 1 15 LEU HD22 H -6.212 -1.052 2.870 1.00 . A B . 15 LEU HD22 1 1 2 1069 1 1 15 LEU HD23 H -5.496 -0.421 1.376 1.00 . A B . 15 LEU HD23 1 1 2 1070 1 1 15 LEU HG H -3.452 0.076 2.578 1.00 . A B . 15 LEU HG 1 1 2 1071 1 1 15 LEU N N -3.088 -0.606 6.597 1.00 . A B . 15 LEU N 1 1 2 1072 1 1 15 LEU O O -1.406 1.340 4.382 1.00 . A B . 15 LEU O 1 1 2 1073 1 1 16 VAL C C -1.335 3.631 6.378 1.00 . A B . 16 VAL C 1 1 2 1074 1 1 16 VAL CA C -2.725 3.385 5.802 1.00 . A B . 16 VAL CA 1 1 2 1075 1 1 16 VAL CB C -3.787 4.188 6.605 1.00 . A B . 16 VAL CB 1 1 2 1076 1 1 16 VAL CG1 C -3.431 5.661 6.677 1.00 . A B . 16 VAL CG1 1 1 2 1077 1 1 16 VAL CG2 C -5.162 4.016 5.984 1.00 . A B . 16 VAL CG2 1 1 2 1078 1 1 16 VAL H H -3.789 1.636 6.344 1.00 . A B . 16 VAL H 1 1 2 1079 1 1 16 VAL HA H -2.734 3.726 4.776 1.00 . A B . 16 VAL HA 1 1 2 1080 1 1 16 VAL HB H -3.821 3.798 7.611 1.00 . A B . 16 VAL HB 1 1 2 1081 1 1 16 VAL HG11 H -3.343 6.052 5.676 1.00 . A B . 16 VAL HG11 1 1 2 1082 1 1 16 VAL HG12 H -2.491 5.782 7.196 1.00 . A B . 16 VAL HG12 1 1 2 1083 1 1 16 VAL HG13 H -4.207 6.194 7.204 1.00 . A B . 16 VAL HG13 1 1 2 1084 1 1 16 VAL HG21 H -5.146 4.393 4.972 1.00 . A B . 16 VAL HG21 1 1 2 1085 1 1 16 VAL HG22 H -5.887 4.570 6.562 1.00 . A B . 16 VAL HG22 1 1 2 1086 1 1 16 VAL HG23 H -5.428 2.970 5.974 1.00 . A B . 16 VAL HG23 1 1 2 1087 1 1 16 VAL N N -3.036 1.955 5.801 1.00 . A B . 16 VAL N 1 1 2 1088 1 1 16 VAL O O -0.577 4.442 5.859 1.00 . A B . 16 VAL O 1 1 2 1089 1 1 17 ARG C C 1.361 2.711 7.076 1.00 . A B . 17 ARG C 1 1 2 1090 1 1 17 ARG CA C 0.276 2.934 8.107 1.00 . A B . 17 ARG CA 1 1 2 1091 1 1 17 ARG CB C 0.304 1.788 9.104 1.00 . A B . 17 ARG CB 1 1 2 1092 1 1 17 ARG CD C 1.254 0.738 11.175 1.00 . A B . 17 ARG CD 1 1 2 1093 1 1 17 ARG CG C 1.428 1.830 10.122 1.00 . A B . 17 ARG CG 1 1 2 1094 1 1 17 ARG CZ C 0.675 -1.699 11.177 1.00 . A B . 17 ARG CZ 1 1 2 1095 1 1 17 ARG H H -1.726 2.330 7.819 1.00 . A B . 17 ARG H 1 1 2 1096 1 1 17 ARG HA H 0.416 3.867 8.626 1.00 . A B . 17 ARG HA 1 1 2 1097 1 1 17 ARG HB2 H -0.663 1.702 9.565 1.00 . A B . 17 ARG HB2 1 1 2 1098 1 1 17 ARG HB3 H 0.430 0.888 8.519 1.00 . A B . 17 ARG HB3 1 1 2 1099 1 1 17 ARG HD2 H 2.067 0.801 11.881 1.00 . A B . 17 ARG HD2 1 1 2 1100 1 1 17 ARG HD3 H 0.322 0.910 11.692 1.00 . A B . 17 ARG HD3 1 1 2 1101 1 1 17 ARG HE H 1.690 -0.710 9.728 1.00 . A B . 17 ARG HE 1 1 2 1102 1 1 17 ARG HG2 H 2.366 1.684 9.608 1.00 . A B . 17 ARG HG2 1 1 2 1103 1 1 17 ARG HG3 H 1.427 2.794 10.608 1.00 . A B . 17 ARG HG3 1 1 2 1104 1 1 17 ARG HH11 H -0.053 -0.690 12.786 1.00 . A B . 17 ARG HH11 1 1 2 1105 1 1 17 ARG HH12 H -0.386 -2.346 12.819 1.00 . A B . 17 ARG HH12 1 1 2 1106 1 1 17 ARG HH21 H 1.226 -3.013 9.714 1.00 . A B . 17 ARG HH21 1 1 2 1107 1 1 17 ARG HH22 H 0.348 -3.712 10.990 1.00 . A B . 17 ARG HH22 1 1 2 1108 1 1 17 ARG N N -1.023 2.902 7.437 1.00 . A B . 17 ARG N 1 1 2 1109 1 1 17 ARG NE N 1.235 -0.619 10.596 1.00 . A B . 17 ARG NE 1 1 2 1110 1 1 17 ARG NH1 N 0.033 -1.578 12.329 1.00 . A B . 17 ARG NH1 1 1 2 1111 1 1 17 ARG NH2 N 0.754 -2.886 10.588 1.00 . A B . 17 ARG NH2 1 1 2 1112 1 1 17 ARG O O 2.328 3.495 6.949 1.00 . A B . 17 ARG O 1 1 2 1113 1 1 18 ALA C C 2.072 2.377 4.178 1.00 . A B . 18 ALA C 1 1 2 1114 1 1 18 ALA CA C 2.050 1.277 5.240 1.00 . A B . 18 ALA CA 1 1 2 1115 1 1 18 ALA CB C 1.625 -0.050 4.627 1.00 . A B . 18 ALA CB 1 1 2 1116 1 1 18 ALA H H 0.395 1.097 6.605 1.00 . A B . 18 ALA H 1 1 2 1117 1 1 18 ALA HA H 3.049 1.169 5.637 1.00 . A B . 18 ALA HA 1 1 2 1118 1 1 18 ALA HB1 H 0.633 0.050 4.210 1.00 . A B . 18 ALA HB1 1 1 2 1119 1 1 18 ALA HB2 H 1.618 -0.818 5.386 1.00 . A B . 18 ALA HB2 1 1 2 1120 1 1 18 ALA HB3 H 2.315 -0.325 3.844 1.00 . A B . 18 ALA HB3 1 1 2 1121 1 1 18 ALA N N 1.171 1.641 6.341 1.00 . A B . 18 ALA N 1 1 2 1122 1 1 18 ALA O O 3.130 2.840 3.803 1.00 . A B . 18 ALA O 1 1 2 1123 1 1 19 GLN C C 1.534 5.097 3.031 1.00 . A B . 19 GLN C 1 1 2 1124 1 1 19 GLN CA C 0.710 3.860 2.725 1.00 . A B . 19 GLN CA 1 1 2 1125 1 1 19 GLN CB C -0.748 4.273 2.656 1.00 . A B . 19 GLN CB 1 1 2 1126 1 1 19 GLN CD C -3.066 3.649 1.900 1.00 . A B . 19 GLN CD 1 1 2 1127 1 1 19 GLN CG C -1.634 3.236 2.039 1.00 . A B . 19 GLN CG 1 1 2 1128 1 1 19 GLN H H 0.082 2.375 4.110 1.00 . A B . 19 GLN H 1 1 2 1129 1 1 19 GLN HA H 0.988 3.448 1.761 1.00 . A B . 19 GLN HA 1 1 2 1130 1 1 19 GLN HB2 H -1.069 4.419 3.678 1.00 . A B . 19 GLN HB2 1 1 2 1131 1 1 19 GLN HB3 H -0.835 5.215 2.145 1.00 . A B . 19 GLN HB3 1 1 2 1132 1 1 19 GLN HE21 H -3.239 2.447 0.355 1.00 . A B . 19 GLN HE21 1 1 2 1133 1 1 19 GLN HE22 H -4.676 3.271 0.805 1.00 . A B . 19 GLN HE22 1 1 2 1134 1 1 19 GLN HG2 H -1.261 3.066 1.045 1.00 . A B . 19 GLN HG2 1 1 2 1135 1 1 19 GLN HG3 H -1.577 2.327 2.619 1.00 . A B . 19 GLN HG3 1 1 2 1136 1 1 19 GLN N N 0.887 2.801 3.738 1.00 . A B . 19 GLN N 1 1 2 1137 1 1 19 GLN NE2 N -3.719 3.083 0.923 1.00 . A B . 19 GLN NE2 1 1 2 1138 1 1 19 GLN O O 2.331 5.536 2.213 1.00 . A B . 19 GLN O 1 1 2 1139 1 1 19 GLN OE1 O -3.585 4.459 2.668 1.00 . A B . 19 GLN OE1 1 1 2 1140 1 1 20 ILE C C 3.552 6.633 4.593 1.00 . A B . 20 ILE C 1 1 2 1141 1 1 20 ILE CA C 2.038 6.834 4.686 1.00 . A B . 20 ILE CA 1 1 2 1142 1 1 20 ILE CB C 1.633 7.204 6.151 1.00 . A B . 20 ILE CB 1 1 2 1143 1 1 20 ILE CD1 C -0.348 8.641 5.345 1.00 . A B . 20 ILE CD1 1 1 2 1144 1 1 20 ILE CG1 C 0.125 7.513 6.244 1.00 . A B . 20 ILE CG1 1 1 2 1145 1 1 20 ILE CG2 C 2.457 8.379 6.691 1.00 . A B . 20 ILE CG2 1 1 2 1146 1 1 20 ILE H H 0.631 5.218 4.766 1.00 . A B . 20 ILE H 1 1 2 1147 1 1 20 ILE HA H 1.772 7.653 4.035 1.00 . A B . 20 ILE HA 1 1 2 1148 1 1 20 ILE HB H 1.846 6.346 6.772 1.00 . A B . 20 ILE HB 1 1 2 1149 1 1 20 ILE HD11 H -1.403 8.806 5.501 1.00 . A B . 20 ILE HD11 1 1 2 1150 1 1 20 ILE HD12 H -0.174 8.380 4.311 1.00 . A B . 20 ILE HD12 1 1 2 1151 1 1 20 ILE HD13 H 0.197 9.542 5.583 1.00 . A B . 20 ILE HD13 1 1 2 1152 1 1 20 ILE HG12 H -0.432 6.629 5.973 1.00 . A B . 20 ILE HG12 1 1 2 1153 1 1 20 ILE HG13 H -0.115 7.779 7.264 1.00 . A B . 20 ILE HG13 1 1 2 1154 1 1 20 ILE HG21 H 3.507 8.126 6.665 1.00 . A B . 20 ILE HG21 1 1 2 1155 1 1 20 ILE HG22 H 2.166 8.584 7.710 1.00 . A B . 20 ILE HG22 1 1 2 1156 1 1 20 ILE HG23 H 2.280 9.253 6.083 1.00 . A B . 20 ILE HG23 1 1 2 1157 1 1 20 ILE N N 1.323 5.643 4.210 1.00 . A B . 20 ILE N 1 1 2 1158 1 1 20 ILE O O 4.278 7.522 4.142 1.00 . A B . 20 ILE O 1 1 2 1159 1 1 21 ALA C C 5.903 5.122 3.442 1.00 . A B . 21 ALA C 1 1 2 1160 1 1 21 ALA CA C 5.425 5.125 4.891 1.00 . A B . 21 ALA CA 1 1 2 1161 1 1 21 ALA CB C 5.704 3.777 5.535 1.00 . A B . 21 ALA CB 1 1 2 1162 1 1 21 ALA H H 3.367 4.768 5.276 1.00 . A B . 21 ALA H 1 1 2 1163 1 1 21 ALA HA H 5.965 5.885 5.436 1.00 . A B . 21 ALA HA 1 1 2 1164 1 1 21 ALA HB1 H 5.177 3.006 4.992 1.00 . A B . 21 ALA HB1 1 1 2 1165 1 1 21 ALA HB2 H 5.370 3.784 6.561 1.00 . A B . 21 ALA HB2 1 1 2 1166 1 1 21 ALA HB3 H 6.765 3.576 5.499 1.00 . A B . 21 ALA HB3 1 1 2 1167 1 1 21 ALA N N 4.009 5.444 4.963 1.00 . A B . 21 ALA N 1 1 2 1168 1 1 21 ALA O O 6.956 5.651 3.129 1.00 . A B . 21 ALA O 1 1 2 1169 1 1 22 ILE C C 5.396 5.792 0.453 1.00 . A B . 22 ILE C 1 1 2 1170 1 1 22 ILE CA C 5.446 4.440 1.165 1.00 . A B . 22 ILE CA 1 1 2 1171 1 1 22 ILE CB C 4.496 3.477 0.426 1.00 . A B . 22 ILE CB 1 1 2 1172 1 1 22 ILE CD1 C 3.271 1.284 0.648 1.00 . A B . 22 ILE CD1 1 1 2 1173 1 1 22 ILE CG1 C 4.387 2.153 1.161 1.00 . A B . 22 ILE CG1 1 1 2 1174 1 1 22 ILE CG2 C 5.016 3.229 -0.984 1.00 . A B . 22 ILE CG2 1 1 2 1175 1 1 22 ILE H H 4.233 4.227 2.894 1.00 . A B . 22 ILE H 1 1 2 1176 1 1 22 ILE HA H 6.450 4.048 1.100 1.00 . A B . 22 ILE HA 1 1 2 1177 1 1 22 ILE HB H 3.519 3.932 0.363 1.00 . A B . 22 ILE HB 1 1 2 1178 1 1 22 ILE HD11 H 3.252 0.354 1.197 1.00 . A B . 22 ILE HD11 1 1 2 1179 1 1 22 ILE HD12 H 3.429 1.086 -0.401 1.00 . A B . 22 ILE HD12 1 1 2 1180 1 1 22 ILE HD13 H 2.334 1.803 0.784 1.00 . A B . 22 ILE HD13 1 1 2 1181 1 1 22 ILE HG12 H 5.313 1.608 1.054 1.00 . A B . 22 ILE HG12 1 1 2 1182 1 1 22 ILE HG13 H 4.206 2.345 2.208 1.00 . A B . 22 ILE HG13 1 1 2 1183 1 1 22 ILE HG21 H 6.003 2.795 -0.928 1.00 . A B . 22 ILE HG21 1 1 2 1184 1 1 22 ILE HG22 H 5.067 4.165 -1.518 1.00 . A B . 22 ILE HG22 1 1 2 1185 1 1 22 ILE HG23 H 4.353 2.545 -1.494 1.00 . A B . 22 ILE HG23 1 1 2 1186 1 1 22 ILE N N 5.096 4.567 2.569 1.00 . A B . 22 ILE N 1 1 2 1187 1 1 22 ILE O O 6.357 6.182 -0.204 1.00 . A B . 22 ILE O 1 1 2 1188 1 1 23 CYS C C 4.965 8.899 0.417 1.00 . A B . 23 CYS C 1 1 2 1189 1 1 23 CYS CA C 4.105 7.782 -0.101 1.00 . A B . 23 CYS CA 1 1 2 1190 1 1 23 CYS CB C 2.644 8.201 -0.050 1.00 . A B . 23 CYS CB 1 1 2 1191 1 1 23 CYS H H 3.616 6.214 1.257 1.00 . A B . 23 CYS H 1 1 2 1192 1 1 23 CYS HA H 4.364 7.602 -1.133 1.00 . A B . 23 CYS HA 1 1 2 1193 1 1 23 CYS HB2 H 2.270 7.973 0.938 1.00 . A B . 23 CYS HB2 1 1 2 1194 1 1 23 CYS HB3 H 2.607 9.267 -0.200 1.00 . A B . 23 CYS HB3 1 1 2 1195 1 1 23 CYS N N 4.311 6.527 0.631 1.00 . A B . 23 CYS N 1 1 2 1196 1 1 23 CYS O O 5.298 9.835 -0.318 1.00 . A B . 23 CYS O 1 1 2 1197 1 1 23 CYS SG S 1.567 7.358 -1.261 1.00 . A B . 23 CYS SG 1 1 2 1198 1 1 24 GLY C C 7.646 9.660 1.582 1.00 . A B . 24 GLY C 1 1 2 1199 1 1 24 GLY CA C 6.277 9.725 2.226 1.00 . A B . 24 GLY CA 1 1 2 1200 1 1 24 GLY H H 4.989 8.048 2.182 1.00 . A B . 24 GLY H 1 1 2 1201 1 1 24 GLY HA2 H 5.873 10.719 2.097 1.00 . A B . 24 GLY HA2 1 1 2 1202 1 1 24 GLY HA3 H 6.378 9.518 3.280 1.00 . A B . 24 GLY HA3 1 1 2 1203 1 1 24 GLY N N 5.372 8.774 1.646 1.00 . A B . 24 GLY N 1 1 2 1204 1 1 24 GLY O O 8.368 10.655 1.547 1.00 . A B . 24 GLY O 1 1 2 1205 1 1 25 MET C C 9.228 7.461 -0.853 1.00 . A B . 25 MET C 1 1 2 1206 1 1 25 MET CA C 9.291 8.292 0.433 1.00 . A B . 25 MET CA 1 1 2 1207 1 1 25 MET CB C 10.263 7.684 1.463 1.00 . A B . 25 MET CB 1 1 2 1208 1 1 25 MET CE C 9.923 4.439 4.042 1.00 . A B . 25 MET CE 1 1 2 1209 1 1 25 MET CG C 9.771 6.411 2.122 1.00 . A B . 25 MET CG 1 1 2 1210 1 1 25 MET H H 7.328 7.769 1.013 1.00 . A B . 25 MET H 1 1 2 1211 1 1 25 MET HA H 9.658 9.269 0.162 1.00 . A B . 25 MET HA 1 1 2 1212 1 1 25 MET HB2 H 11.192 7.453 0.963 1.00 . A B . 25 MET HB2 1 1 2 1213 1 1 25 MET HB3 H 10.452 8.414 2.235 1.00 . A B . 25 MET HB3 1 1 2 1214 1 1 25 MET HE1 H 10.440 3.986 4.875 1.00 . A B . 25 MET HE1 1 1 2 1215 1 1 25 MET HE2 H 9.795 3.711 3.256 1.00 . A B . 25 MET HE2 1 1 2 1216 1 1 25 MET HE3 H 8.953 4.788 4.367 1.00 . A B . 25 MET HE3 1 1 2 1217 1 1 25 MET HG2 H 8.800 6.601 2.555 1.00 . A B . 25 MET HG2 1 1 2 1218 1 1 25 MET HG3 H 9.682 5.645 1.366 1.00 . A B . 25 MET HG3 1 1 2 1219 1 1 25 MET N N 7.984 8.501 1.026 1.00 . A B . 25 MET N 1 1 2 1220 1 1 25 MET O O 10.032 6.552 -1.066 1.00 . A B . 25 MET O 1 1 2 1221 1 1 25 MET SD S 10.876 5.823 3.420 1.00 . A B . 25 MET SD 1 1 2 1222 1 1 26 SER C C 9.255 7.712 -3.995 1.00 . A B . 26 SER C 1 1 2 1223 1 1 26 SER CA C 8.211 7.134 -3.025 1.00 . A B . 26 SER CA 1 1 2 1224 1 1 26 SER CB C 6.796 7.262 -3.621 1.00 . A B . 26 SER CB 1 1 2 1225 1 1 26 SER H H 7.725 8.570 -1.554 1.00 . A B . 26 SER H 1 1 2 1226 1 1 26 SER HA H 8.440 6.091 -2.856 1.00 . A B . 26 SER HA 1 1 2 1227 1 1 26 SER HB2 H 6.587 8.300 -3.830 1.00 . A B . 26 SER HB2 1 1 2 1228 1 1 26 SER HB3 H 6.752 6.702 -4.544 1.00 . A B . 26 SER HB3 1 1 2 1229 1 1 26 SER HG H 6.203 6.533 -1.893 1.00 . A B . 26 SER HG 1 1 2 1230 1 1 26 SER N N 8.317 7.815 -1.746 1.00 . A B . 26 SER N 1 1 2 1231 1 1 26 SER O O 8.931 8.437 -4.942 1.00 . A B . 26 SER O 1 1 2 1232 1 1 26 SER OG O 5.792 6.768 -2.739 1.00 . A B . 26 SER OG 1 1 2 1233 1 1 27 THR C C 11.765 7.263 -5.834 1.00 . A B . 27 THR C 1 1 2 1234 1 1 27 THR CA C 11.635 7.940 -4.468 1.00 . A B . 27 THR CA 1 1 2 1235 1 1 27 THR CB C 12.922 7.749 -3.649 1.00 . A B . 27 THR CB 1 1 2 1236 1 1 27 THR CG2 C 14.087 8.517 -4.248 1.00 . A B . 27 THR CG2 1 1 2 1237 1 1 27 THR H H 10.652 6.905 -2.888 1.00 . A B . 27 THR H 1 1 2 1238 1 1 27 THR HA H 11.481 8.986 -4.637 1.00 . A B . 27 THR HA 1 1 2 1239 1 1 27 THR HB H 13.145 6.693 -3.642 1.00 . A B . 27 THR HB 1 1 2 1240 1 1 27 THR HG1 H 12.310 9.105 -2.392 1.00 . A B . 27 THR HG1 1 1 2 1241 1 1 27 THR HG21 H 13.840 9.566 -4.304 1.00 . A B . 27 THR HG21 1 1 2 1242 1 1 27 THR HG22 H 14.282 8.141 -5.241 1.00 . A B . 27 THR HG22 1 1 2 1243 1 1 27 THR HG23 H 14.963 8.385 -3.631 1.00 . A B . 27 THR HG23 1 1 2 1244 1 1 27 THR N N 10.498 7.433 -3.705 1.00 . A B . 27 THR N 1 1 2 1245 1 1 27 THR O O 12.363 7.803 -6.778 1.00 . A B . 27 THR O 1 1 2 1246 1 1 27 THR OG1 O 12.697 8.223 -2.305 1.00 . A B . 27 THR OG1 1 1 2 1247 1 1 28 TRP C C 9.912 5.148 -7.793 1.00 . A B . 28 TRP C 1 1 2 1248 1 1 28 TRP CA C 11.264 5.339 -7.127 1.00 . A B . 28 TRP CA 1 1 2 1249 1 1 28 TRP CB C 11.937 4.003 -6.832 1.00 . A B . 28 TRP CB 1 1 2 1250 1 1 28 TRP CD1 C 13.876 4.164 -5.148 1.00 . A B . 28 TRP CD1 1 1 2 1251 1 1 28 TRP CD2 C 14.494 4.328 -7.291 1.00 . A B . 28 TRP CD2 1 1 2 1252 1 1 28 TRP CE2 C 15.641 4.437 -6.482 1.00 . A B . 28 TRP CE2 1 1 2 1253 1 1 28 TRP CE3 C 14.640 4.401 -8.681 1.00 . A B . 28 TRP CE3 1 1 2 1254 1 1 28 TRP CG C 13.374 4.149 -6.419 1.00 . A B . 28 TRP CG 1 1 2 1255 1 1 28 TRP CH2 C 17.023 4.689 -8.377 1.00 . A B . 28 TRP CH2 1 1 2 1256 1 1 28 TRP CZ2 C 16.911 4.620 -7.015 1.00 . A B . 28 TRP CZ2 1 1 2 1257 1 1 28 TRP CZ3 C 15.903 4.582 -9.207 1.00 . A B . 28 TRP CZ3 1 1 2 1258 1 1 28 TRP H H 10.651 5.891 -5.150 1.00 . A B . 28 TRP H 1 1 2 1259 1 1 28 TRP HA H 11.896 5.884 -7.812 1.00 . A B . 28 TRP HA 1 1 2 1260 1 1 28 TRP HB2 H 11.397 3.496 -6.046 1.00 . A B . 28 TRP HB2 1 1 2 1261 1 1 28 TRP HB3 H 11.904 3.397 -7.724 1.00 . A B . 28 TRP HB3 1 1 2 1262 1 1 28 TRP HD1 H 13.292 4.058 -4.248 1.00 . A B . 28 TRP HD1 1 1 2 1263 1 1 28 TRP HE1 H 15.797 4.374 -4.375 1.00 . A B . 28 TRP HE1 1 1 2 1264 1 1 28 TRP HE3 H 13.785 4.320 -9.337 1.00 . A B . 28 TRP HE3 1 1 2 1265 1 1 28 TRP HH2 H 17.992 4.830 -8.834 1.00 . A B . 28 TRP HH2 1 1 2 1266 1 1 28 TRP HZ2 H 17.786 4.704 -6.389 1.00 . A B . 28 TRP HZ2 1 1 2 1267 1 1 28 TRP HZ3 H 16.034 4.642 -10.278 1.00 . A B . 28 TRP HZ3 1 1 2 1268 1 1 28 TRP N N 11.176 6.141 -5.934 1.00 . A B . 28 TRP N 1 1 2 1269 1 1 28 TRP NE1 N 15.231 4.335 -5.178 1.00 . A B . 28 TRP NE1 1 1 2 1270 1 1 28 TRP O O 8.885 4.956 -7.120 1.00 . A B . 28 TRP O 1 1 2 1271 1 1 29 SER C C 8.361 3.593 -10.097 1.00 . A B . 29 SER C 1 1 2 1272 1 1 29 SER CA C 8.729 5.076 -9.903 1.00 . A B . 29 SER CA 1 1 2 1273 1 1 29 SER CB C 8.935 5.799 -11.230 1.00 . A B . 29 SER CB 1 1 2 1274 1 1 29 SER H H 10.749 5.434 -9.583 1.00 . A B . 29 SER H 1 1 2 1275 1 1 29 SER HA H 7.914 5.551 -9.380 1.00 . A B . 29 SER HA 1 1 2 1276 1 1 29 SER HB2 H 8.194 5.461 -11.940 1.00 . A B . 29 SER HB2 1 1 2 1277 1 1 29 SER HB3 H 8.842 6.864 -11.086 1.00 . A B . 29 SER HB3 1 1 2 1278 1 1 29 SER HG H 10.549 6.347 -12.135 1.00 . A B . 29 SER HG 1 1 2 1279 1 1 29 SER N N 9.914 5.235 -9.103 1.00 . A B . 29 SER N 1 1 2 1280 1 1 29 SER O O 7.542 3.044 -9.354 1.00 . A B . 29 SER O 1 1 2 1281 1 1 29 SER OG O 10.228 5.517 -11.756 1.00 . A B . 29 SER OG 1 1 2 1282 1 1 30 NH2 HN1 H 9.596 3.457 -11.620 1.00 . A B . 30 NH2 HN1 1 1 2 1283 1 1 30 NH2 HN2 H 8.735 2.006 -11.213 1.00 . A B . 30 NH2 HN2 1 1 2 1284 1 1 30 NH2 N N 8.957 2.950 -11.073 1.00 . A B . 30 NH2 N 1 1 2 1285 2 2 1 PCA C C -12.679 3.508 -5.001 1.00 . B A . 1 PCA C 1 1 2 1286 2 2 1 PCA CA C -13.749 4.563 -4.758 1.00 . B A . 1 PCA CA 1 1 2 1287 2 2 1 PCA CB C -13.326 5.455 -3.605 1.00 . B A . 1 PCA CB 1 1 2 1288 2 2 1 PCA CD C -15.288 4.195 -3.083 1.00 . B A . 1 PCA CD 1 1 2 1289 2 2 1 PCA CG C -14.308 5.194 -2.484 1.00 . B A . 1 PCA CG 1 1 2 1290 2 2 1 PCA HA H -13.877 5.136 -5.664 1.00 . B A . 1 PCA HA 1 1 2 1291 2 2 1 PCA HB2 H -12.316 5.195 -3.284 1.00 . B A . 1 PCA HB2 1 1 2 1292 2 2 1 PCA HB3 H -13.363 6.503 -3.905 1.00 . B A . 1 PCA HB3 1 1 2 1293 2 2 1 PCA HG2 H -13.794 4.776 -1.618 1.00 . B A . 1 PCA HG2 1 1 2 1294 2 2 1 PCA HG3 H -14.846 6.103 -2.220 1.00 . B A . 1 PCA HG3 1 1 2 1295 2 2 1 PCA N N -15.017 3.935 -4.359 1.00 . B A . 1 PCA N 1 1 2 1296 2 2 1 PCA O O -12.714 2.408 -4.395 1.00 . B A . 1 PCA O 1 1 2 1297 2 2 1 PCA OE O -16.210 3.688 -2.446 1.00 . B A . 1 PCA OE 1 1 2 1298 2 2 2 LEU C C -9.637 2.809 -5.052 1.00 . B A . 2 LEU C 1 1 2 1299 2 2 2 LEU CA C -10.661 2.866 -6.154 1.00 . B A . 2 LEU CA 1 1 2 1300 2 2 2 LEU CB C -10.043 3.085 -7.534 1.00 . B A . 2 LEU CB 1 1 2 1301 2 2 2 LEU CD1 C -10.282 3.230 -10.031 1.00 . B A . 2 LEU CD1 1 1 2 1302 2 2 2 LEU CD2 C -11.670 1.589 -8.756 1.00 . B A . 2 LEU CD2 1 1 2 1303 2 2 2 LEU CG C -11.007 2.963 -8.726 1.00 . B A . 2 LEU CG 1 1 2 1304 2 2 2 LEU H H -11.698 4.713 -6.261 1.00 . B A . 2 LEU H 1 1 2 1305 2 2 2 LEU HA H -11.140 1.903 -6.112 1.00 . B A . 2 LEU HA 1 1 2 1306 2 2 2 LEU HB2 H -9.607 4.073 -7.550 1.00 . B A . 2 LEU HB2 1 1 2 1307 2 2 2 LEU HB3 H -9.253 2.362 -7.666 1.00 . B A . 2 LEU HB3 1 1 2 1308 2 2 2 LEU HD11 H -9.879 4.232 -10.019 1.00 . B A . 2 LEU HD11 1 1 2 1309 2 2 2 LEU HD12 H -10.975 3.131 -10.853 1.00 . B A . 2 LEU HD12 1 1 2 1310 2 2 2 LEU HD13 H -9.479 2.519 -10.149 1.00 . B A . 2 LEU HD13 1 1 2 1311 2 2 2 LEU HD21 H -12.263 1.449 -7.864 1.00 . B A . 2 LEU HD21 1 1 2 1312 2 2 2 LEU HD22 H -10.912 0.822 -8.812 1.00 . B A . 2 LEU HD22 1 1 2 1313 2 2 2 LEU HD23 H -12.310 1.521 -9.623 1.00 . B A . 2 LEU HD23 1 1 2 1314 2 2 2 LEU HG H -11.780 3.710 -8.622 1.00 . B A . 2 LEU HG 1 1 2 1315 2 2 2 LEU N N -11.712 3.822 -5.842 1.00 . B A . 2 LEU N 1 1 2 1316 2 2 2 LEU O O -8.944 1.811 -4.878 1.00 . B A . 2 LEU O 1 1 2 1317 2 2 3 TYR C C -9.280 2.804 -2.110 1.00 . B A . 3 TYR C 1 1 2 1318 2 2 3 TYR CA C -8.797 3.914 -3.088 1.00 . B A . 3 TYR CA 1 1 2 1319 2 2 3 TYR CB C -8.906 5.345 -2.498 1.00 . B A . 3 TYR CB 1 1 2 1320 2 2 3 TYR CD1 C -10.236 5.395 -0.402 1.00 . B A . 3 TYR CD1 1 1 2 1321 2 2 3 TYR CD2 C -7.878 5.556 -0.207 1.00 . B A . 3 TYR CD2 1 1 2 1322 2 2 3 TYR CE1 C -10.373 5.466 0.939 1.00 . B A . 3 TYR CE1 1 1 2 1323 2 2 3 TYR CE2 C -8.001 5.630 1.165 1.00 . B A . 3 TYR CE2 1 1 2 1324 2 2 3 TYR CG C -8.998 5.436 -1.006 1.00 . B A . 3 TYR CG 1 1 2 1325 2 2 3 TYR CZ C -9.257 5.583 1.737 1.00 . B A . 3 TYR CZ 1 1 2 1326 2 2 3 TYR H H -10.064 4.673 -4.574 1.00 . B A . 3 TYR H 1 1 2 1327 2 2 3 TYR HA H -7.769 3.715 -3.355 1.00 . B A . 3 TYR HA 1 1 2 1328 2 2 3 TYR HB2 H -8.042 5.920 -2.798 1.00 . B A . 3 TYR HB2 1 1 2 1329 2 2 3 TYR HB3 H -9.786 5.816 -2.910 1.00 . B A . 3 TYR HB3 1 1 2 1330 2 2 3 TYR HD1 H -11.115 5.302 -1.023 1.00 . B A . 3 TYR HD1 1 1 2 1331 2 2 3 TYR HD2 H -6.901 5.590 -0.666 1.00 . B A . 3 TYR HD2 1 1 2 1332 2 2 3 TYR HE1 H -11.374 5.417 1.333 1.00 . B A . 3 TYR HE1 1 1 2 1333 2 2 3 TYR HE2 H -7.116 5.720 1.774 1.00 . B A . 3 TYR HE2 1 1 2 1334 2 2 3 TYR HH H -9.971 4.905 3.363 1.00 . B A . 3 TYR HH 1 1 2 1335 2 2 3 TYR N N -9.579 3.866 -4.293 1.00 . B A . 3 TYR N 1 1 2 1336 2 2 3 TYR O O -8.481 2.138 -1.455 1.00 . B A . 3 TYR O 1 1 2 1337 2 2 3 TYR OH O -9.401 5.645 3.112 1.00 . B A . 3 TYR OH 1 1 2 1338 2 2 4 SER C C -11.054 0.195 -1.920 1.00 . B A . 4 SER C 1 1 2 1339 2 2 4 SER CA C -11.175 1.563 -1.237 1.00 . B A . 4 SER CA 1 1 2 1340 2 2 4 SER CB C -12.640 1.904 -0.930 1.00 . B A . 4 SER CB 1 1 2 1341 2 2 4 SER H H -11.176 3.119 -2.655 1.00 . B A . 4 SER H 1 1 2 1342 2 2 4 SER HA H -10.613 1.539 -0.315 1.00 . B A . 4 SER HA 1 1 2 1343 2 2 4 SER HB2 H -12.692 2.892 -0.499 1.00 . B A . 4 SER HB2 1 1 2 1344 2 2 4 SER HB3 H -13.207 1.890 -1.850 1.00 . B A . 4 SER HB3 1 1 2 1345 2 2 4 SER HG H -12.550 0.710 0.621 1.00 . B A . 4 SER HG 1 1 2 1346 2 2 4 SER N N -10.592 2.580 -2.083 1.00 . B A . 4 SER N 1 1 2 1347 2 2 4 SER O O -10.988 -0.842 -1.255 1.00 . B A . 4 SER O 1 1 2 1348 2 2 4 SER OG O -13.222 0.982 -0.021 1.00 . B A . 4 SER OG 1 1 2 1349 2 2 5 ALA C C -9.470 -1.604 -3.666 1.00 . B A . 5 ALA C 1 1 2 1350 2 2 5 ALA CA C -10.813 -1.009 -4.025 1.00 . B A . 5 ALA CA 1 1 2 1351 2 2 5 ALA CB C -10.896 -0.726 -5.519 1.00 . B A . 5 ALA CB 1 1 2 1352 2 2 5 ALA H H -11.103 1.058 -3.729 1.00 . B A . 5 ALA H 1 1 2 1353 2 2 5 ALA HA H -11.590 -1.707 -3.750 1.00 . B A . 5 ALA HA 1 1 2 1354 2 2 5 ALA HB1 H -11.867 -0.320 -5.760 1.00 . B A . 5 ALA HB1 1 1 2 1355 2 2 5 ALA HB2 H -10.734 -1.639 -6.073 1.00 . B A . 5 ALA HB2 1 1 2 1356 2 2 5 ALA HB3 H -10.132 -0.011 -5.786 1.00 . B A . 5 ALA HB3 1 1 2 1357 2 2 5 ALA N N -11.006 0.206 -3.254 1.00 . B A . 5 ALA N 1 1 2 1358 2 2 5 ALA O O -9.367 -2.791 -3.404 1.00 . B A . 5 ALA O 1 1 2 1359 2 2 6 LEU C C -7.146 -1.788 -1.820 1.00 . B A . 6 LEU C 1 1 2 1360 2 2 6 LEU CA C -7.104 -1.116 -3.186 1.00 . B A . 6 LEU CA 1 1 2 1361 2 2 6 LEU CB C -6.210 0.125 -3.094 1.00 . B A . 6 LEU CB 1 1 2 1362 2 2 6 LEU CD1 C -3.931 -0.888 -3.491 1.00 . B A . 6 LEU CD1 1 1 2 1363 2 2 6 LEU CD2 C -4.154 1.200 -2.125 1.00 . B A . 6 LEU CD2 1 1 2 1364 2 2 6 LEU CG C -4.802 -0.105 -2.525 1.00 . B A . 6 LEU CG 1 1 2 1365 2 2 6 LEU H H -8.614 0.190 -3.882 1.00 . B A . 6 LEU H 1 1 2 1366 2 2 6 LEU HA H -6.684 -1.805 -3.907 1.00 . B A . 6 LEU HA 1 1 2 1367 2 2 6 LEU HB2 H -6.110 0.544 -4.085 1.00 . B A . 6 LEU HB2 1 1 2 1368 2 2 6 LEU HB3 H -6.708 0.850 -2.468 1.00 . B A . 6 LEU HB3 1 1 2 1369 2 2 6 LEU HD11 H -2.950 -1.023 -3.059 1.00 . B A . 6 LEU HD11 1 1 2 1370 2 2 6 LEU HD12 H -3.843 -0.342 -4.420 1.00 . B A . 6 LEU HD12 1 1 2 1371 2 2 6 LEU HD13 H -4.378 -1.852 -3.679 1.00 . B A . 6 LEU HD13 1 1 2 1372 2 2 6 LEU HD21 H -4.790 1.712 -1.416 1.00 . B A . 6 LEU HD21 1 1 2 1373 2 2 6 LEU HD22 H -4.018 1.822 -2.998 1.00 . B A . 6 LEU HD22 1 1 2 1374 2 2 6 LEU HD23 H -3.203 0.994 -1.657 1.00 . B A . 6 LEU HD23 1 1 2 1375 2 2 6 LEU HG H -4.903 -0.715 -1.639 1.00 . B A . 6 LEU HG 1 1 2 1376 2 2 6 LEU N N -8.454 -0.740 -3.607 1.00 . B A . 6 LEU N 1 1 2 1377 2 2 6 LEU O O -6.536 -2.837 -1.624 1.00 . B A . 6 LEU O 1 1 2 1378 2 2 7 ALA C C -8.570 -3.104 0.430 1.00 . B A . 7 ALA C 1 1 2 1379 2 2 7 ALA CA C -8.029 -1.697 0.458 1.00 . B A . 7 ALA CA 1 1 2 1380 2 2 7 ALA CB C -8.933 -0.797 1.282 1.00 . B A . 7 ALA CB 1 1 2 1381 2 2 7 ALA H H -8.336 -0.344 -1.137 1.00 . B A . 7 ALA H 1 1 2 1382 2 2 7 ALA HA H -7.052 -1.716 0.917 1.00 . B A . 7 ALA HA 1 1 2 1383 2 2 7 ALA HB1 H -8.525 0.202 1.282 1.00 . B A . 7 ALA HB1 1 1 2 1384 2 2 7 ALA HB2 H -8.986 -1.167 2.296 1.00 . B A . 7 ALA HB2 1 1 2 1385 2 2 7 ALA HB3 H -9.922 -0.784 0.848 1.00 . B A . 7 ALA HB3 1 1 2 1386 2 2 7 ALA N N -7.882 -1.177 -0.893 1.00 . B A . 7 ALA N 1 1 2 1387 2 2 7 ALA O O -7.992 -4.006 1.020 1.00 . B A . 7 ALA O 1 1 2 1388 2 2 8 ASN C C -9.348 -5.580 -1.094 1.00 . B A . 8 ASN C 1 1 2 1389 2 2 8 ASN CA C -10.290 -4.592 -0.442 1.00 . B A . 8 ASN CA 1 1 2 1390 2 2 8 ASN CB C -11.590 -4.488 -1.252 1.00 . B A . 8 ASN CB 1 1 2 1391 2 2 8 ASN CG C -12.674 -3.710 -0.534 1.00 . B A . 8 ASN CG 1 1 2 1392 2 2 8 ASN H H -10.039 -2.505 -0.752 1.00 . B A . 8 ASN H 1 1 2 1393 2 2 8 ASN HA H -10.527 -4.948 0.549 1.00 . B A . 8 ASN HA 1 1 2 1394 2 2 8 ASN HB2 H -11.382 -3.990 -2.188 1.00 . B A . 8 ASN HB2 1 1 2 1395 2 2 8 ASN HB3 H -11.956 -5.482 -1.455 1.00 . B A . 8 ASN HB3 1 1 2 1396 2 2 8 ASN HD21 H -13.384 -3.062 -2.256 1.00 . B A . 8 ASN HD21 1 1 2 1397 2 2 8 ASN HD22 H -14.207 -2.509 -0.841 1.00 . B A . 8 ASN HD22 1 1 2 1398 2 2 8 ASN N N -9.654 -3.287 -0.298 1.00 . B A . 8 ASN N 1 1 2 1399 2 2 8 ASN ND2 N -13.504 -3.032 -1.281 1.00 . B A . 8 ASN ND2 1 1 2 1400 2 2 8 ASN O O -9.123 -6.659 -0.572 1.00 . B A . 8 ASN O 1 1 2 1401 2 2 8 ASN OD1 O -12.763 -3.723 0.702 1.00 . B A . 8 ASN OD1 1 1 2 1402 2 2 9 LYS C C -6.647 -6.445 -2.105 1.00 . B A . 9 LYS C 1 1 2 1403 2 2 9 LYS CA C -7.827 -6.017 -2.947 1.00 . B A . 9 LYS CA 1 1 2 1404 2 2 9 LYS CB C -7.328 -5.299 -4.202 1.00 . B A . 9 LYS CB 1 1 2 1405 2 2 9 LYS CD C -7.828 -4.230 -6.428 1.00 . B A . 9 LYS CD 1 1 2 1406 2 2 9 LYS CE C -6.719 -4.965 -7.170 1.00 . B A . 9 LYS CE 1 1 2 1407 2 2 9 LYS CG C -8.386 -5.054 -5.269 1.00 . B A . 9 LYS CG 1 1 2 1408 2 2 9 LYS H H -8.947 -4.269 -2.524 1.00 . B A . 9 LYS H 1 1 2 1409 2 2 9 LYS HA H -8.348 -6.913 -3.241 1.00 . B A . 9 LYS HA 1 1 2 1410 2 2 9 LYS HB2 H -6.950 -4.334 -3.894 1.00 . B A . 9 LYS HB2 1 1 2 1411 2 2 9 LYS HB3 H -6.512 -5.854 -4.635 1.00 . B A . 9 LYS HB3 1 1 2 1412 2 2 9 LYS HD2 H -8.627 -4.016 -7.121 1.00 . B A . 9 LYS HD2 1 1 2 1413 2 2 9 LYS HD3 H -7.434 -3.302 -6.038 1.00 . B A . 9 LYS HD3 1 1 2 1414 2 2 9 LYS HE2 H -5.948 -5.246 -6.470 1.00 . B A . 9 LYS HE2 1 1 2 1415 2 2 9 LYS HE3 H -7.135 -5.857 -7.614 1.00 . B A . 9 LYS HE3 1 1 2 1416 2 2 9 LYS HG2 H -8.727 -6.006 -5.647 1.00 . B A . 9 LYS HG2 1 1 2 1417 2 2 9 LYS HG3 H -9.214 -4.522 -4.823 1.00 . B A . 9 LYS HG3 1 1 2 1418 2 2 9 LYS HZ1 H -6.834 -3.837 -8.922 1.00 . B A . 9 LYS HZ1 1 1 2 1419 2 2 9 LYS HZ2 H -5.396 -4.684 -8.750 1.00 . B A . 9 LYS HZ2 1 1 2 1420 2 2 9 LYS HZ3 H -5.655 -3.287 -7.854 1.00 . B A . 9 LYS HZ3 1 1 2 1421 2 2 9 LYS N N -8.750 -5.176 -2.196 1.00 . B A . 9 LYS N 1 1 2 1422 2 2 9 LYS NZ N -6.114 -4.138 -8.235 1.00 . B A . 9 LYS NZ 1 1 2 1423 2 2 9 LYS O O -6.271 -7.600 -2.118 1.00 . B A . 9 LYS O 1 1 2 1424 2 2 10 CYS C C -5.333 -6.645 0.675 1.00 . B A . 10 CYS C 1 1 2 1425 2 2 10 CYS CA C -4.937 -5.821 -0.550 1.00 . B A . 10 CYS CA 1 1 2 1426 2 2 10 CYS CB C -4.261 -4.524 -0.128 1.00 . B A . 10 CYS CB 1 1 2 1427 2 2 10 CYS H H -6.468 -4.621 -1.353 1.00 . B A . 10 CYS H 1 1 2 1428 2 2 10 CYS HA H -4.242 -6.404 -1.139 1.00 . B A . 10 CYS HA 1 1 2 1429 2 2 10 CYS HB2 H -4.224 -3.844 -0.965 1.00 . B A . 10 CYS HB2 1 1 2 1430 2 2 10 CYS HB3 H -4.848 -4.073 0.658 1.00 . B A . 10 CYS HB3 1 1 2 1431 2 2 10 CYS N N -6.098 -5.534 -1.360 1.00 . B A . 10 CYS N 1 1 2 1432 2 2 10 CYS O O -4.548 -7.448 1.184 1.00 . B A . 10 CYS O 1 1 2 1433 2 2 10 CYS SG S -2.575 -4.745 0.504 1.00 . B A . 10 CYS SG 1 1 2 1434 2 2 11 CYS C C -7.394 -8.627 1.866 1.00 . B A . 11 CYS C 1 1 2 1435 2 2 11 CYS CA C -7.066 -7.180 2.258 1.00 . B A . 11 CYS CA 1 1 2 1436 2 2 11 CYS CB C -8.313 -6.462 2.796 1.00 . B A . 11 CYS CB 1 1 2 1437 2 2 11 CYS H H -7.149 -5.827 0.665 1.00 . B A . 11 CYS H 1 1 2 1438 2 2 11 CYS HA H -6.299 -7.182 3.019 1.00 . B A . 11 CYS HA 1 1 2 1439 2 2 11 CYS HB2 H -8.170 -5.395 2.716 1.00 . B A . 11 CYS HB2 1 1 2 1440 2 2 11 CYS HB3 H -9.160 -6.743 2.188 1.00 . B A . 11 CYS HB3 1 1 2 1441 2 2 11 CYS N N -6.560 -6.476 1.108 1.00 . B A . 11 CYS N 1 1 2 1442 2 2 11 CYS O O -7.404 -9.544 2.710 1.00 . B A . 11 CYS O 1 1 2 1443 2 2 11 CYS SG S -8.718 -6.846 4.523 1.00 . B A . 11 CYS SG 1 1 2 1444 2 2 12 HIS C C -6.699 -10.818 -0.486 1.00 . B A . 12 HIS C 1 1 2 1445 2 2 12 HIS CA C -7.944 -10.160 0.075 1.00 . B A . 12 HIS CA 1 1 2 1446 2 2 12 HIS CB C -9.041 -10.142 -0.991 1.00 . B A . 12 HIS CB 1 1 2 1447 2 2 12 HIS CD2 C -11.023 -8.857 0.048 1.00 . B A . 12 HIS CD2 1 1 2 1448 2 2 12 HIS CE1 C -12.514 -10.418 0.004 1.00 . B A . 12 HIS CE1 1 1 2 1449 2 2 12 HIS CG C -10.430 -9.948 -0.468 1.00 . B A . 12 HIS CG 1 1 2 1450 2 2 12 HIS H H -7.691 -8.066 -0.031 1.00 . B A . 12 HIS H 1 1 2 1451 2 2 12 HIS HA H -8.290 -10.751 0.907 1.00 . B A . 12 HIS HA 1 1 2 1452 2 2 12 HIS HB2 H -8.839 -9.337 -1.682 1.00 . B A . 12 HIS HB2 1 1 2 1453 2 2 12 HIS HB3 H -9.003 -11.078 -1.525 1.00 . B A . 12 HIS HB3 1 1 2 1454 2 2 12 HIS HD1 H -11.283 -11.855 -0.796 1.00 . B A . 12 HIS HD1 1 1 2 1455 2 2 12 HIS HD2 H -10.541 -7.903 0.200 1.00 . B A . 12 HIS HD2 1 1 2 1456 2 2 12 HIS HE1 H -13.441 -10.963 0.100 1.00 . B A . 12 HIS HE1 1 1 2 1457 2 2 12 HIS N N -7.666 -8.835 0.583 1.00 . B A . 12 HIS N 1 1 2 1458 2 2 12 HIS ND1 N -11.394 -10.928 -0.485 1.00 . B A . 12 HIS ND1 1 1 2 1459 2 2 12 HIS NE2 N -12.348 -9.152 0.349 1.00 . B A . 12 HIS NE2 1 1 2 1460 2 2 12 HIS O O -6.157 -11.765 0.103 1.00 . B A . 12 HIS O 1 1 2 1461 2 2 13 VAL C C -3.802 -10.214 -1.889 1.00 . B A . 13 VAL C 1 1 2 1462 2 2 13 VAL CA C -5.102 -10.891 -2.275 1.00 . B A . 13 VAL CA 1 1 2 1463 2 2 13 VAL CB C -5.284 -10.936 -3.820 1.00 . B A . 13 VAL CB 1 1 2 1464 2 2 13 VAL CG1 C -6.391 -11.909 -4.185 1.00 . B A . 13 VAL CG1 1 1 2 1465 2 2 13 VAL CG2 C -5.601 -9.563 -4.415 1.00 . B A . 13 VAL CG2 1 1 2 1466 2 2 13 VAL H H -6.627 -9.484 -1.954 1.00 . B A . 13 VAL H 1 1 2 1467 2 2 13 VAL HA H -5.043 -11.908 -1.918 1.00 . B A . 13 VAL HA 1 1 2 1468 2 2 13 VAL HB H -4.334 -11.267 -4.208 1.00 . B A . 13 VAL HB 1 1 2 1469 2 2 13 VAL HG11 H -7.308 -11.586 -3.710 1.00 . B A . 13 VAL HG11 1 1 2 1470 2 2 13 VAL HG12 H -6.136 -12.899 -3.839 1.00 . B A . 13 VAL HG12 1 1 2 1471 2 2 13 VAL HG13 H -6.529 -11.920 -5.256 1.00 . B A . 13 VAL HG13 1 1 2 1472 2 2 13 VAL HG21 H -6.521 -9.190 -3.989 1.00 . B A . 13 VAL HG21 1 1 2 1473 2 2 13 VAL HG22 H -5.708 -9.650 -5.485 1.00 . B A . 13 VAL HG22 1 1 2 1474 2 2 13 VAL HG23 H -4.796 -8.879 -4.188 1.00 . B A . 13 VAL HG23 1 1 2 1475 2 2 13 VAL N N -6.230 -10.308 -1.597 1.00 . B A . 13 VAL N 1 1 2 1476 2 2 13 VAL O O -2.828 -10.869 -1.573 1.00 . B A . 13 VAL O 1 1 2 1477 2 2 14 GLY C C -2.414 -7.035 -2.488 1.00 . B A . 14 GLY C 1 1 2 1478 2 2 14 GLY CA C -2.658 -8.159 -1.528 1.00 . B A . 14 GLY CA 1 1 2 1479 2 2 14 GLY H H -4.611 -8.486 -2.253 1.00 . B A . 14 GLY H 1 1 2 1480 2 2 14 GLY HA2 H -2.850 -7.747 -0.548 1.00 . B A . 14 GLY HA2 1 1 2 1481 2 2 14 GLY HA3 H -1.776 -8.770 -1.451 1.00 . B A . 14 GLY HA3 1 1 2 1482 2 2 14 GLY N N -3.803 -8.929 -1.917 1.00 . B A . 14 GLY N 1 1 2 1483 2 2 14 GLY O O -3.103 -6.922 -3.518 1.00 . B A . 14 GLY O 1 1 2 1484 2 2 15 CYS C C 0.287 -4.831 -3.104 1.00 . B A . 15 CYS C 1 1 2 1485 2 2 15 CYS CA C -1.190 -5.059 -2.987 1.00 . B A . 15 CYS CA 1 1 2 1486 2 2 15 CYS CB C -1.866 -3.826 -2.398 1.00 . B A . 15 CYS CB 1 1 2 1487 2 2 15 CYS H H -0.941 -6.349 -1.365 1.00 . B A . 15 CYS H 1 1 2 1488 2 2 15 CYS HA H -1.600 -5.225 -3.971 1.00 . B A . 15 CYS HA 1 1 2 1489 2 2 15 CYS HB2 H -1.541 -2.974 -2.978 1.00 . B A . 15 CYS HB2 1 1 2 1490 2 2 15 CYS HB3 H -2.929 -3.934 -2.516 1.00 . B A . 15 CYS HB3 1 1 2 1491 2 2 15 CYS N N -1.477 -6.208 -2.179 1.00 . B A . 15 CYS N 1 1 2 1492 2 2 15 CYS O O 1.069 -5.245 -2.228 1.00 . B A . 15 CYS O 1 1 2 1493 2 2 15 CYS SG S -1.462 -3.473 -0.630 1.00 . B A . 15 CYS SG 1 1 2 1494 2 2 16 THR C C 2.314 -2.519 -3.769 1.00 . B A . 16 THR C 1 1 2 1495 2 2 16 THR CA C 2.048 -3.874 -4.361 1.00 . B A . 16 THR CA 1 1 2 1496 2 2 16 THR CB C 2.520 -3.941 -5.840 1.00 . B A . 16 THR CB 1 1 2 1497 2 2 16 THR CG2 C 2.476 -5.364 -6.362 1.00 . B A . 16 THR CG2 1 1 2 1498 2 2 16 THR H H 0.025 -3.929 -4.848 1.00 . B A . 16 THR H 1 1 2 1499 2 2 16 THR HA H 2.612 -4.593 -3.784 1.00 . B A . 16 THR HA 1 1 2 1500 2 2 16 THR HB H 3.543 -3.592 -5.877 1.00 . B A . 16 THR HB 1 1 2 1501 2 2 16 THR HG1 H 0.905 -3.556 -6.886 1.00 . B A . 16 THR HG1 1 1 2 1502 2 2 16 THR HG21 H 3.130 -5.986 -5.769 1.00 . B A . 16 THR HG21 1 1 2 1503 2 2 16 THR HG22 H 2.800 -5.381 -7.392 1.00 . B A . 16 THR HG22 1 1 2 1504 2 2 16 THR HG23 H 1.466 -5.740 -6.296 1.00 . B A . 16 THR HG23 1 1 2 1505 2 2 16 THR N N 0.684 -4.201 -4.177 1.00 . B A . 16 THR N 1 1 2 1506 2 2 16 THR O O 1.453 -1.654 -3.772 1.00 . B A . 16 THR O 1 1 2 1507 2 2 16 THR OG1 O 1.731 -3.093 -6.682 1.00 . B A . 16 THR OG1 1 1 2 1508 2 2 17 LYS C C 3.698 0.129 -3.383 1.00 . B A . 17 LYS C 1 1 2 1509 2 2 17 LYS CA C 3.922 -1.154 -2.554 1.00 . B A . 17 LYS CA 1 1 2 1510 2 2 17 LYS CB C 5.379 -1.364 -2.118 1.00 . B A . 17 LYS CB 1 1 2 1511 2 2 17 LYS CD C 5.008 -1.993 0.264 1.00 . B A . 17 LYS CD 1 1 2 1512 2 2 17 LYS CE C 5.273 -1.661 1.721 1.00 . B A . 17 LYS CE 1 1 2 1513 2 2 17 LYS CG C 5.683 -1.006 -0.685 1.00 . B A . 17 LYS CG 1 1 2 1514 2 2 17 LYS H H 4.072 -3.141 -3.343 1.00 . B A . 17 LYS H 1 1 2 1515 2 2 17 LYS HA H 3.305 -0.967 -1.684 1.00 . B A . 17 LYS HA 1 1 2 1516 2 2 17 LYS HB2 H 5.476 -2.437 -2.169 1.00 . B A . 17 LYS HB2 1 1 2 1517 2 2 17 LYS HB3 H 6.136 -0.970 -2.776 1.00 . B A . 17 LYS HB3 1 1 2 1518 2 2 17 LYS HD2 H 3.942 -1.975 0.094 1.00 . B A . 17 LYS HD2 1 1 2 1519 2 2 17 LYS HD3 H 5.385 -2.983 0.056 1.00 . B A . 17 LYS HD3 1 1 2 1520 2 2 17 LYS HE2 H 4.815 -0.713 1.958 1.00 . B A . 17 LYS HE2 1 1 2 1521 2 2 17 LYS HE3 H 4.834 -2.433 2.336 1.00 . B A . 17 LYS HE3 1 1 2 1522 2 2 17 LYS HG2 H 6.752 -1.048 -0.533 1.00 . B A . 17 LYS HG2 1 1 2 1523 2 2 17 LYS HG3 H 5.320 -0.011 -0.479 1.00 . B A . 17 LYS HG3 1 1 2 1524 2 2 17 LYS HZ1 H 7.262 -2.351 1.598 1.00 . B A . 17 LYS HZ1 1 1 2 1525 2 2 17 LYS HZ2 H 6.868 -1.559 3.047 1.00 . B A . 17 LYS HZ2 1 1 2 1526 2 2 17 LYS HZ3 H 7.081 -0.661 1.685 1.00 . B A . 17 LYS HZ3 1 1 2 1527 2 2 17 LYS N N 3.480 -2.361 -3.257 1.00 . B A . 17 LYS N 1 1 2 1528 2 2 17 LYS NZ N 6.707 -1.571 2.019 1.00 . B A . 17 LYS NZ 1 1 2 1529 2 2 17 LYS O O 3.160 1.107 -2.866 1.00 . B A . 17 LYS O 1 1 2 1530 2 2 18 ARG C C 2.280 1.452 -5.799 1.00 . B A . 18 ARG C 1 1 2 1531 2 2 18 ARG CA C 3.757 1.277 -5.508 1.00 . B A . 18 ARG CA 1 1 2 1532 2 2 18 ARG CB C 4.595 1.335 -6.778 1.00 . B A . 18 ARG CB 1 1 2 1533 2 2 18 ARG CD C 6.059 3.281 -6.065 1.00 . B A . 18 ARG CD 1 1 2 1534 2 2 18 ARG CG C 6.013 1.814 -6.533 1.00 . B A . 18 ARG CG 1 1 2 1535 2 2 18 ARG CZ C 4.818 4.985 -7.486 1.00 . B A . 18 ARG CZ 1 1 2 1536 2 2 18 ARG H H 4.497 -0.670 -5.036 1.00 . B A . 18 ARG H 1 1 2 1537 2 2 18 ARG HA H 4.025 2.112 -4.881 1.00 . B A . 18 ARG HA 1 1 2 1538 2 2 18 ARG HB2 H 4.620 0.342 -7.199 1.00 . B A . 18 ARG HB2 1 1 2 1539 2 2 18 ARG HB3 H 4.118 2.007 -7.476 1.00 . B A . 18 ARG HB3 1 1 2 1540 2 2 18 ARG HD2 H 5.274 3.472 -5.351 1.00 . B A . 18 ARG HD2 1 1 2 1541 2 2 18 ARG HD3 H 7.010 3.449 -5.582 1.00 . B A . 18 ARG HD3 1 1 2 1542 2 2 18 ARG HE H 6.790 4.432 -7.608 1.00 . B A . 18 ARG HE 1 1 2 1543 2 2 18 ARG HG2 H 6.446 1.188 -5.768 1.00 . B A . 18 ARG HG2 1 1 2 1544 2 2 18 ARG HG3 H 6.578 1.713 -7.448 1.00 . B A . 18 ARG HG3 1 1 2 1545 2 2 18 ARG HH11 H 3.415 3.801 -6.522 1.00 . B A . 18 ARG HH11 1 1 2 1546 2 2 18 ARG HH12 H 2.807 5.159 -7.328 1.00 . B A . 18 ARG HH12 1 1 2 1547 2 2 18 ARG HH21 H 5.786 6.337 -8.695 1.00 . B A . 18 ARG HH21 1 1 2 1548 2 2 18 ARG HH22 H 4.112 6.577 -8.542 1.00 . B A . 18 ARG HH22 1 1 2 1549 2 2 18 ARG N N 4.037 0.113 -4.663 1.00 . B A . 18 ARG N 1 1 2 1550 2 2 18 ARG NE N 5.925 4.262 -7.167 1.00 . B A . 18 ARG NE 1 1 2 1551 2 2 18 ARG NH1 N 3.611 4.613 -7.073 1.00 . B A . 18 ARG NH1 1 1 2 1552 2 2 18 ARG NH2 N 4.919 6.030 -8.294 1.00 . B A . 18 ARG NH2 1 1 2 1553 2 2 18 ARG O O 1.840 2.550 -6.124 1.00 . B A . 18 ARG O 1 1 2 1554 2 2 19 SER C C -0.521 1.227 -4.711 1.00 . B A . 19 SER C 1 1 2 1555 2 2 19 SER CA C 0.106 0.445 -5.855 1.00 . B A . 19 SER CA 1 1 2 1556 2 2 19 SER CB C -0.489 -0.965 -5.957 1.00 . B A . 19 SER CB 1 1 2 1557 2 2 19 SER H H 1.951 -0.433 -5.355 1.00 . B A . 19 SER H 1 1 2 1558 2 2 19 SER HA H -0.071 0.983 -6.776 1.00 . B A . 19 SER HA 1 1 2 1559 2 2 19 SER HB2 H 0.042 -1.521 -6.713 1.00 . B A . 19 SER HB2 1 1 2 1560 2 2 19 SER HB3 H -0.370 -1.467 -5.008 1.00 . B A . 19 SER HB3 1 1 2 1561 2 2 19 SER HG H -1.950 -0.345 -7.050 1.00 . B A . 19 SER HG 1 1 2 1562 2 2 19 SER N N 1.530 0.400 -5.647 1.00 . B A . 19 SER N 1 1 2 1563 2 2 19 SER O O -1.388 2.058 -4.933 1.00 . B A . 19 SER O 1 1 2 1564 2 2 19 SER OG O -1.861 -0.932 -6.289 1.00 . B A . 19 SER OG 1 1 2 1565 2 2 20 LEU C C -0.064 3.215 -2.564 1.00 . B A . 20 LEU C 1 1 2 1566 2 2 20 LEU CA C -0.539 1.818 -2.362 1.00 . B A . 20 LEU CA 1 1 2 1567 2 2 20 LEU CB C -0.120 1.366 -0.941 1.00 . B A . 20 LEU CB 1 1 2 1568 2 2 20 LEU CD1 C 0.714 -0.982 -0.959 1.00 . B A . 20 LEU CD1 1 1 2 1569 2 2 20 LEU CD2 C -0.517 -0.143 1.003 1.00 . B A . 20 LEU CD2 1 1 2 1570 2 2 20 LEU CG C -0.383 -0.072 -0.501 1.00 . B A . 20 LEU CG 1 1 2 1571 2 2 20 LEU H H 0.609 0.283 -3.337 1.00 . B A . 20 LEU H 1 1 2 1572 2 2 20 LEU HA H -1.612 1.873 -2.432 1.00 . B A . 20 LEU HA 1 1 2 1573 2 2 20 LEU HB2 H 0.903 1.634 -0.723 1.00 . B A . 20 LEU HB2 1 1 2 1574 2 2 20 LEU HB3 H -0.714 1.986 -0.294 1.00 . B A . 20 LEU HB3 1 1 2 1575 2 2 20 LEU HD11 H 0.491 -1.995 -0.654 1.00 . B A . 20 LEU HD11 1 1 2 1576 2 2 20 LEU HD12 H 1.641 -0.670 -0.501 1.00 . B A . 20 LEU HD12 1 1 2 1577 2 2 20 LEU HD13 H 0.805 -0.941 -2.034 1.00 . B A . 20 LEU HD13 1 1 2 1578 2 2 20 LEU HD21 H 0.425 0.157 1.441 1.00 . B A . 20 LEU HD21 1 1 2 1579 2 2 20 LEU HD22 H -0.737 -1.159 1.294 1.00 . B A . 20 LEU HD22 1 1 2 1580 2 2 20 LEU HD23 H -1.307 0.515 1.337 1.00 . B A . 20 LEU HD23 1 1 2 1581 2 2 20 LEU HG H -1.311 -0.416 -0.932 1.00 . B A . 20 LEU HG 1 1 2 1582 2 2 20 LEU N N -0.044 1.003 -3.473 1.00 . B A . 20 LEU N 1 1 2 1583 2 2 20 LEU O O -0.803 4.165 -2.351 1.00 . B A . 20 LEU O 1 1 2 1584 2 2 21 ALA C C 1.056 5.490 -4.305 1.00 . B A . 21 ALA C 1 1 2 1585 2 2 21 ALA CA C 1.805 4.603 -3.295 1.00 . B A . 21 ALA CA 1 1 2 1586 2 2 21 ALA CB C 3.235 4.418 -3.738 1.00 . B A . 21 ALA CB 1 1 2 1587 2 2 21 ALA H H 1.618 2.454 -3.199 1.00 . B A . 21 ALA H 1 1 2 1588 2 2 21 ALA HA H 1.823 5.119 -2.346 1.00 . B A . 21 ALA HA 1 1 2 1589 2 2 21 ALA HB1 H 3.736 3.729 -3.076 1.00 . B A . 21 ALA HB1 1 1 2 1590 2 2 21 ALA HB2 H 3.742 5.371 -3.718 1.00 . B A . 21 ALA HB2 1 1 2 1591 2 2 21 ALA HB3 H 3.242 4.027 -4.743 1.00 . B A . 21 ALA HB3 1 1 2 1592 2 2 21 ALA N N 1.155 3.314 -3.047 1.00 . B A . 21 ALA N 1 1 2 1593 2 2 21 ALA O O 1.195 6.712 -4.275 1.00 . B A . 21 ALA O 1 1 2 1594 2 2 22 ARG C C -1.774 6.203 -5.551 1.00 . B A . 22 ARG C 1 1 2 1595 2 2 22 ARG CA C -0.463 5.721 -6.156 1.00 . B A . 22 ARG CA 1 1 2 1596 2 2 22 ARG CB C -0.710 5.024 -7.508 1.00 . B A . 22 ARG CB 1 1 2 1597 2 2 22 ARG CD C -1.904 3.281 -8.844 1.00 . B A . 22 ARG CD 1 1 2 1598 2 2 22 ARG CG C -1.573 3.787 -7.453 1.00 . B A . 22 ARG CG 1 1 2 1599 2 2 22 ARG CZ C -0.715 2.538 -10.894 1.00 . B A . 22 ARG CZ 1 1 2 1600 2 2 22 ARG H H 0.218 3.920 -5.229 1.00 . B A . 22 ARG H 1 1 2 1601 2 2 22 ARG HA H 0.144 6.600 -6.321 1.00 . B A . 22 ARG HA 1 1 2 1602 2 2 22 ARG HB2 H -1.193 5.727 -8.170 1.00 . B A . 22 ARG HB2 1 1 2 1603 2 2 22 ARG HB3 H 0.245 4.752 -7.933 1.00 . B A . 22 ARG HB3 1 1 2 1604 2 2 22 ARG HD2 H -2.525 2.402 -8.756 1.00 . B A . 22 ARG HD2 1 1 2 1605 2 2 22 ARG HD3 H -2.455 4.050 -9.364 1.00 . B A . 22 ARG HD3 1 1 2 1606 2 2 22 ARG HE H 0.153 3.056 -9.157 1.00 . B A . 22 ARG HE 1 1 2 1607 2 2 22 ARG HG2 H -1.045 3.015 -6.914 1.00 . B A . 22 ARG HG2 1 1 2 1608 2 2 22 ARG HG3 H -2.490 4.024 -6.935 1.00 . B A . 22 ARG HG3 1 1 2 1609 2 2 22 ARG HH11 H -2.757 2.520 -11.109 1.00 . B A . 22 ARG HH11 1 1 2 1610 2 2 22 ARG HH12 H -1.890 2.045 -12.493 1.00 . B A . 22 ARG HH12 1 1 2 1611 2 2 22 ARG HH21 H 1.319 2.410 -11.060 1.00 . B A . 22 ARG HH21 1 1 2 1612 2 2 22 ARG HH22 H 0.474 2.003 -12.470 1.00 . B A . 22 ARG HH22 1 1 2 1613 2 2 22 ARG N N 0.280 4.900 -5.206 1.00 . B A . 22 ARG N 1 1 2 1614 2 2 22 ARG NE N -0.708 2.948 -9.624 1.00 . B A . 22 ARG NE 1 1 2 1615 2 2 22 ARG NH1 N -1.864 2.358 -11.540 1.00 . B A . 22 ARG NH1 1 1 2 1616 2 2 22 ARG NH2 N 0.430 2.298 -11.513 1.00 . B A . 22 ARG NH2 1 1 2 1617 2 2 22 ARG O O -2.455 7.052 -6.118 1.00 . B A . 22 ARG O 1 1 2 1618 2 2 23 PHE C C -3.009 6.822 -2.455 1.00 . B A . 23 PHE C 1 1 2 1619 2 2 23 PHE CA C -3.329 6.074 -3.728 1.00 . B A . 23 PHE CA 1 1 2 1620 2 2 23 PHE CB C -4.274 4.886 -3.446 1.00 . B A . 23 PHE CB 1 1 2 1621 2 2 23 PHE CD1 C -6.004 4.756 -5.259 1.00 . B A . 23 PHE CD1 1 1 2 1622 2 2 23 PHE CD2 C -4.288 3.114 -5.232 1.00 . B A . 23 PHE CD2 1 1 2 1623 2 2 23 PHE CE1 C -6.555 4.163 -6.376 1.00 . B A . 23 PHE CE1 1 1 2 1624 2 2 23 PHE CE2 C -4.835 2.515 -6.349 1.00 . B A . 23 PHE CE2 1 1 2 1625 2 2 23 PHE CG C -4.864 4.240 -4.674 1.00 . B A . 23 PHE CG 1 1 2 1626 2 2 23 PHE CZ C -5.971 3.041 -6.921 1.00 . B A . 23 PHE CZ 1 1 2 1627 2 2 23 PHE H H -1.535 5.000 -3.987 1.00 . B A . 23 PHE H 1 1 2 1628 2 2 23 PHE HA H -3.838 6.771 -4.371 1.00 . B A . 23 PHE HA 1 1 2 1629 2 2 23 PHE HB2 H -3.726 4.125 -2.912 1.00 . B A . 23 PHE HB2 1 1 2 1630 2 2 23 PHE HB3 H -5.087 5.229 -2.823 1.00 . B A . 23 PHE HB3 1 1 2 1631 2 2 23 PHE HD1 H -6.464 5.636 -4.835 1.00 . B A . 23 PHE HD1 1 1 2 1632 2 2 23 PHE HD2 H -3.396 2.699 -4.788 1.00 . B A . 23 PHE HD2 1 1 2 1633 2 2 23 PHE HE1 H -7.446 4.578 -6.821 1.00 . B A . 23 PHE HE1 1 1 2 1634 2 2 23 PHE HE2 H -4.371 1.637 -6.772 1.00 . B A . 23 PHE HE2 1 1 2 1635 2 2 23 PHE HZ H -6.403 2.576 -7.795 1.00 . B A . 23 PHE HZ 1 1 2 1636 2 2 23 PHE N N -2.121 5.669 -4.405 1.00 . B A . 23 PHE N 1 1 2 1637 2 2 23 PHE O O -2.902 8.050 -2.461 1.00 . B A . 23 PHE O 1 1 2 1638 2 2 24 CYS C C -3.714 7.401 0.451 1.00 . B A . 24 CYS C 1 1 2 1639 2 2 24 CYS CA C -2.525 6.574 -0.052 1.00 . B A . 24 CYS CA 1 1 2 1640 2 2 24 CYS CB C -1.184 7.328 0.074 1.00 . B A . 24 CYS CB 1 1 2 1641 2 2 24 CYS H H -2.659 5.101 -1.589 1.00 . B A . 24 CYS H 1 1 2 1642 2 2 24 CYS HA H -2.485 5.695 0.577 1.00 . B A . 24 CYS HA 1 1 2 1643 2 2 24 CYS HB2 H -1.146 8.101 -0.679 1.00 . B A . 24 CYS HB2 1 1 2 1644 2 2 24 CYS HB3 H -1.117 7.778 1.054 1.00 . B A . 24 CYS HB3 1 1 2 1645 2 2 24 CYS N N -2.746 6.060 -1.409 1.00 . B A . 24 CYS N 1 1 2 1646 2 2 24 CYS O O -3.774 8.620 0.269 1.00 . B A . 24 CYS O 1 1 2 1647 2 2 24 CYS SG S 0.277 6.255 -0.156 1.00 . B A . 24 CYS SG 1 1 2 1648 2 2 25 NH2 HN1 H -4.562 5.762 1.164 1.00 . B A . 25 NH2 HN1 1 1 2 1649 2 2 25 NH2 HN2 H -5.467 7.217 1.363 1.00 . B A . 25 NH2 HN2 1 1 2 1650 2 2 25 NH2 N N -4.676 6.730 1.050 1.00 . B A . 25 NH2 N 1 1 3 1651 1 1 1 ASP C C 11.969 -1.876 -0.582 1.00 . A B . 1 ASP C 1 1 3 1652 1 1 1 ASP CA C 12.097 -2.533 0.765 1.00 . A B . 1 ASP CA 1 1 3 1653 1 1 1 ASP CB C 13.558 -2.480 1.221 1.00 . A B . 1 ASP CB 1 1 3 1654 1 1 1 ASP CG C 13.733 -2.909 2.642 1.00 . A B . 1 ASP CG 1 1 3 1655 1 1 1 ASP H1 H 12.108 -4.492 0.032 1.00 . A B . 1 ASP H1 1 1 3 1656 1 1 1 ASP H2 H 10.574 -3.948 0.503 1.00 . A B . 1 ASP H2 1 1 3 1657 1 1 1 ASP H3 H 11.723 -4.367 1.663 1.00 . A B . 1 ASP H3 1 1 3 1658 1 1 1 ASP HA H 11.493 -1.974 1.466 1.00 . A B . 1 ASP HA 1 1 3 1659 1 1 1 ASP HB2 H 14.156 -3.127 0.598 1.00 . A B . 1 ASP HB2 1 1 3 1660 1 1 1 ASP HB3 H 13.918 -1.468 1.118 1.00 . A B . 1 ASP HB3 1 1 3 1661 1 1 1 ASP N N 11.594 -3.920 0.734 1.00 . A B . 1 ASP N 1 1 3 1662 1 1 1 ASP O O 12.065 -0.652 -0.701 1.00 . A B . 1 ASP O 1 1 3 1663 1 1 1 ASP OD1 O 13.583 -4.118 2.933 1.00 . A B . 1 ASP OD1 1 1 3 1664 1 1 1 ASP OD2 O 13.967 -2.049 3.511 1.00 . A B . 1 ASP OD2 1 1 3 1665 1 1 2 SER C C 10.238 -1.667 -3.169 1.00 . A B . 2 SER C 1 1 3 1666 1 1 2 SER CA C 11.648 -2.165 -2.926 1.00 . A B . 2 SER CA 1 1 3 1667 1 1 2 SER CB C 12.005 -3.267 -3.900 1.00 . A B . 2 SER CB 1 1 3 1668 1 1 2 SER H H 11.668 -3.638 -1.502 1.00 . A B . 2 SER H 1 1 3 1669 1 1 2 SER HA H 12.343 -1.349 -3.052 1.00 . A B . 2 SER HA 1 1 3 1670 1 1 2 SER HB2 H 11.226 -4.012 -3.879 1.00 . A B . 2 SER HB2 1 1 3 1671 1 1 2 SER HB3 H 12.073 -2.862 -4.898 1.00 . A B . 2 SER HB3 1 1 3 1672 1 1 2 SER HG H 13.922 -3.143 -3.638 1.00 . A B . 2 SER HG 1 1 3 1673 1 1 2 SER N N 11.761 -2.668 -1.600 1.00 . A B . 2 SER N 1 1 3 1674 1 1 2 SER O O 9.279 -2.175 -2.590 1.00 . A B . 2 SER O 1 1 3 1675 1 1 2 SER OG O 13.258 -3.842 -3.547 1.00 . A B . 2 SER OG 1 1 3 1676 1 1 3 TRP C C 8.258 -0.798 -5.509 1.00 . A B . 3 TRP C 1 1 3 1677 1 1 3 TRP CA C 8.848 -0.103 -4.310 1.00 . A B . 3 TRP CA 1 1 3 1678 1 1 3 TRP CB C 8.979 1.407 -4.558 1.00 . A B . 3 TRP CB 1 1 3 1679 1 1 3 TRP CD1 C 10.696 2.943 -3.424 1.00 . A B . 3 TRP CD1 1 1 3 1680 1 1 3 TRP CD2 C 9.168 2.093 -2.037 1.00 . A B . 3 TRP CD2 1 1 3 1681 1 1 3 TRP CE2 C 10.036 2.907 -1.294 1.00 . A B . 3 TRP CE2 1 1 3 1682 1 1 3 TRP CE3 C 8.130 1.447 -1.381 1.00 . A B . 3 TRP CE3 1 1 3 1683 1 1 3 TRP CG C 9.595 2.142 -3.400 1.00 . A B . 3 TRP CG 1 1 3 1684 1 1 3 TRP CH2 C 8.860 2.429 0.694 1.00 . A B . 3 TRP CH2 1 1 3 1685 1 1 3 TRP CZ2 C 9.892 3.087 0.079 1.00 . A B . 3 TRP CZ2 1 1 3 1686 1 1 3 TRP CZ3 C 7.986 1.615 -0.032 1.00 . A B . 3 TRP CZ3 1 1 3 1687 1 1 3 TRP H H 10.939 -0.339 -4.421 1.00 . A B . 3 TRP H 1 1 3 1688 1 1 3 TRP HA H 8.198 -0.265 -3.464 1.00 . A B . 3 TRP HA 1 1 3 1689 1 1 3 TRP HB2 H 9.605 1.567 -5.423 1.00 . A B . 3 TRP HB2 1 1 3 1690 1 1 3 TRP HB3 H 8.000 1.825 -4.741 1.00 . A B . 3 TRP HB3 1 1 3 1691 1 1 3 TRP HD1 H 11.264 3.181 -4.312 1.00 . A B . 3 TRP HD1 1 1 3 1692 1 1 3 TRP HE1 H 11.692 4.025 -1.926 1.00 . A B . 3 TRP HE1 1 1 3 1693 1 1 3 TRP HE3 H 7.439 0.814 -1.917 1.00 . A B . 3 TRP HE3 1 1 3 1694 1 1 3 TRP HH2 H 8.705 2.528 1.758 1.00 . A B . 3 TRP HH2 1 1 3 1695 1 1 3 TRP HZ2 H 10.561 3.715 0.649 1.00 . A B . 3 TRP HZ2 1 1 3 1696 1 1 3 TRP HZ3 H 7.177 1.094 0.457 1.00 . A B . 3 TRP HZ3 1 1 3 1697 1 1 3 TRP N N 10.125 -0.683 -3.997 1.00 . A B . 3 TRP N 1 1 3 1698 1 1 3 TRP NE1 N 10.956 3.421 -2.165 1.00 . A B . 3 TRP NE1 1 1 3 1699 1 1 3 TRP O O 7.055 -1.090 -5.552 1.00 . A B . 3 TRP O 1 1 3 1700 1 1 4 MET C C 8.316 -3.191 -7.346 1.00 . A B . 4 MET C 1 1 3 1701 1 1 4 MET CA C 8.696 -1.776 -7.676 1.00 . A B . 4 MET CA 1 1 3 1702 1 1 4 MET CB C 9.830 -1.809 -8.710 1.00 . A B . 4 MET CB 1 1 3 1703 1 1 4 MET CE C 8.634 -0.452 -11.362 1.00 . A B . 4 MET CE 1 1 3 1704 1 1 4 MET CG C 10.328 -0.451 -9.161 1.00 . A B . 4 MET CG 1 1 3 1705 1 1 4 MET H H 10.055 -0.844 -6.355 1.00 . A B . 4 MET H 1 1 3 1706 1 1 4 MET HA H 7.851 -1.255 -8.100 1.00 . A B . 4 MET HA 1 1 3 1707 1 1 4 MET HB2 H 10.666 -2.341 -8.282 1.00 . A B . 4 MET HB2 1 1 3 1708 1 1 4 MET HB3 H 9.487 -2.352 -9.578 1.00 . A B . 4 MET HB3 1 1 3 1709 1 1 4 MET HE1 H 7.901 0.060 -11.969 1.00 . A B . 4 MET HE1 1 1 3 1710 1 1 4 MET HE2 H 8.236 -1.400 -11.034 1.00 . A B . 4 MET HE2 1 1 3 1711 1 1 4 MET HE3 H 9.527 -0.620 -11.941 1.00 . A B . 4 MET HE3 1 1 3 1712 1 1 4 MET HG2 H 10.707 0.085 -8.304 1.00 . A B . 4 MET HG2 1 1 3 1713 1 1 4 MET HG3 H 11.129 -0.606 -9.870 1.00 . A B . 4 MET HG3 1 1 3 1714 1 1 4 MET N N 9.114 -1.097 -6.472 1.00 . A B . 4 MET N 1 1 3 1715 1 1 4 MET O O 7.227 -3.664 -7.708 1.00 . A B . 4 MET O 1 1 3 1716 1 1 4 MET SD S 9.050 0.557 -9.942 1.00 . A B . 4 MET SD 1 1 3 1717 1 1 5 GLU C C 8.743 -5.416 -4.779 1.00 . A B . 5 GLU C 1 1 3 1718 1 1 5 GLU CA C 9.030 -5.203 -6.259 1.00 . A B . 5 GLU CA 1 1 3 1719 1 1 5 GLU CB C 10.300 -5.958 -6.663 1.00 . A B . 5 GLU CB 1 1 3 1720 1 1 5 GLU CD C 9.594 -6.439 -9.038 1.00 . A B . 5 GLU CD 1 1 3 1721 1 1 5 GLU CG C 10.654 -5.851 -8.143 1.00 . A B . 5 GLU CG 1 1 3 1722 1 1 5 GLU H H 9.915 -3.318 -6.192 1.00 . A B . 5 GLU H 1 1 3 1723 1 1 5 GLU HA H 8.209 -5.598 -6.838 1.00 . A B . 5 GLU HA 1 1 3 1724 1 1 5 GLU HB2 H 11.129 -5.568 -6.091 1.00 . A B . 5 GLU HB2 1 1 3 1725 1 1 5 GLU HB3 H 10.174 -7.002 -6.419 1.00 . A B . 5 GLU HB3 1 1 3 1726 1 1 5 GLU HG2 H 10.770 -4.807 -8.394 1.00 . A B . 5 GLU HG2 1 1 3 1727 1 1 5 GLU HG3 H 11.587 -6.366 -8.320 1.00 . A B . 5 GLU HG3 1 1 3 1728 1 1 5 GLU N N 9.165 -3.818 -6.574 1.00 . A B . 5 GLU N 1 1 3 1729 1 1 5 GLU O O 9.666 -5.557 -3.973 1.00 . A B . 5 GLU O 1 1 3 1730 1 1 5 GLU OE1 O 9.556 -7.683 -9.190 1.00 . A B . 5 GLU OE1 1 1 3 1731 1 1 5 GLU OE2 O 8.788 -5.687 -9.606 1.00 . A B . 5 GLU OE2 1 1 3 1732 1 1 6 GLU C C 5.543 -5.835 -3.175 1.00 . A B . 6 GLU C 1 1 3 1733 1 1 6 GLU CA C 7.033 -5.685 -3.099 1.00 . A B . 6 GLU CA 1 1 3 1734 1 1 6 GLU CB C 7.376 -4.645 -2.014 1.00 . A B . 6 GLU CB 1 1 3 1735 1 1 6 GLU CD C 7.742 -4.226 0.497 1.00 . A B . 6 GLU CD 1 1 3 1736 1 1 6 GLU CG C 7.352 -5.218 -0.584 1.00 . A B . 6 GLU CG 1 1 3 1737 1 1 6 GLU H H 6.811 -5.052 -5.071 1.00 . A B . 6 GLU H 1 1 3 1738 1 1 6 GLU HA H 7.476 -6.639 -2.856 1.00 . A B . 6 GLU HA 1 1 3 1739 1 1 6 GLU HB2 H 8.279 -4.089 -2.212 1.00 . A B . 6 GLU HB2 1 1 3 1740 1 1 6 GLU HB3 H 6.545 -3.963 -2.056 1.00 . A B . 6 GLU HB3 1 1 3 1741 1 1 6 GLU HG2 H 6.354 -5.569 -0.371 1.00 . A B . 6 GLU HG2 1 1 3 1742 1 1 6 GLU HG3 H 8.030 -6.056 -0.545 1.00 . A B . 6 GLU HG3 1 1 3 1743 1 1 6 GLU N N 7.488 -5.341 -4.424 1.00 . A B . 6 GLU N 1 1 3 1744 1 1 6 GLU O O 4.879 -5.125 -3.950 1.00 . A B . 6 GLU O 1 1 3 1745 1 1 6 GLU OE1 O 8.952 -4.018 0.730 1.00 . A B . 6 GLU OE1 1 1 3 1746 1 1 6 GLU OE2 O 6.860 -3.665 1.178 1.00 . A B . 6 GLU OE2 1 1 3 1747 1 1 7 VAL C C 3.306 -7.457 -0.907 1.00 . A B . 7 VAL C 1 1 3 1748 1 1 7 VAL CA C 3.636 -7.025 -2.319 1.00 . A B . 7 VAL CA 1 1 3 1749 1 1 7 VAL CB C 3.175 -8.095 -3.378 1.00 . A B . 7 VAL CB 1 1 3 1750 1 1 7 VAL CG1 C 3.994 -9.377 -3.285 1.00 . A B . 7 VAL CG1 1 1 3 1751 1 1 7 VAL CG2 C 1.672 -8.399 -3.248 1.00 . A B . 7 VAL CG2 1 1 3 1752 1 1 7 VAL H H 5.665 -7.180 -1.796 1.00 . A B . 7 VAL H 1 1 3 1753 1 1 7 VAL HA H 3.105 -6.101 -2.493 1.00 . A B . 7 VAL HA 1 1 3 1754 1 1 7 VAL HB H 3.347 -7.675 -4.358 1.00 . A B . 7 VAL HB 1 1 3 1755 1 1 7 VAL HG11 H 3.654 -10.075 -4.036 1.00 . A B . 7 VAL HG11 1 1 3 1756 1 1 7 VAL HG12 H 3.867 -9.813 -2.305 1.00 . A B . 7 VAL HG12 1 1 3 1757 1 1 7 VAL HG13 H 5.037 -9.151 -3.447 1.00 . A B . 7 VAL HG13 1 1 3 1758 1 1 7 VAL HG21 H 1.455 -8.775 -2.258 1.00 . A B . 7 VAL HG21 1 1 3 1759 1 1 7 VAL HG22 H 1.381 -9.136 -3.981 1.00 . A B . 7 VAL HG22 1 1 3 1760 1 1 7 VAL HG23 H 1.098 -7.496 -3.400 1.00 . A B . 7 VAL HG23 1 1 3 1761 1 1 7 VAL N N 5.040 -6.720 -2.396 1.00 . A B . 7 VAL N 1 1 3 1762 1 1 7 VAL O O 3.926 -8.373 -0.350 1.00 . A B . 7 VAL O 1 1 3 1763 1 1 8 ILE C C 0.551 -7.285 1.139 1.00 . A B . 8 ILE C 1 1 3 1764 1 1 8 ILE CA C 2.025 -7.031 1.041 1.00 . A B . 8 ILE CA 1 1 3 1765 1 1 8 ILE CB C 2.415 -5.857 1.980 1.00 . A B . 8 ILE CB 1 1 3 1766 1 1 8 ILE CD1 C 2.078 -3.329 2.347 1.00 . A B . 8 ILE CD1 1 1 3 1767 1 1 8 ILE CG1 C 1.691 -4.567 1.554 1.00 . A B . 8 ILE CG1 1 1 3 1768 1 1 8 ILE CG2 C 3.929 -5.668 2.001 1.00 . A B . 8 ILE CG2 1 1 3 1769 1 1 8 ILE H H 1.892 -6.084 -0.814 1.00 . A B . 8 ILE H 1 1 3 1770 1 1 8 ILE HA H 2.557 -7.912 1.362 1.00 . A B . 8 ILE HA 1 1 3 1771 1 1 8 ILE HB H 2.103 -6.120 2.979 1.00 . A B . 8 ILE HB 1 1 3 1772 1 1 8 ILE HD11 H 1.527 -2.477 1.979 1.00 . A B . 8 ILE HD11 1 1 3 1773 1 1 8 ILE HD12 H 3.136 -3.148 2.228 1.00 . A B . 8 ILE HD12 1 1 3 1774 1 1 8 ILE HD13 H 1.858 -3.477 3.393 1.00 . A B . 8 ILE HD13 1 1 3 1775 1 1 8 ILE HG12 H 1.898 -4.402 0.510 1.00 . A B . 8 ILE HG12 1 1 3 1776 1 1 8 ILE HG13 H 0.628 -4.721 1.667 1.00 . A B . 8 ILE HG13 1 1 3 1777 1 1 8 ILE HG21 H 4.403 -6.565 2.371 1.00 . A B . 8 ILE HG21 1 1 3 1778 1 1 8 ILE HG22 H 4.169 -4.835 2.645 1.00 . A B . 8 ILE HG22 1 1 3 1779 1 1 8 ILE HG23 H 4.278 -5.460 1.000 1.00 . A B . 8 ILE HG23 1 1 3 1780 1 1 8 ILE N N 2.386 -6.773 -0.314 1.00 . A B . 8 ILE N 1 1 3 1781 1 1 8 ILE O O -0.198 -7.080 0.175 1.00 . A B . 8 ILE O 1 1 3 1782 1 1 9 LYS C C -1.611 -7.264 3.825 1.00 . A B . 9 LYS C 1 1 3 1783 1 1 9 LYS CA C -1.240 -7.972 2.557 1.00 . A B . 9 LYS CA 1 1 3 1784 1 1 9 LYS CB C -1.570 -9.462 2.688 1.00 . A B . 9 LYS CB 1 1 3 1785 1 1 9 LYS CD C -1.797 -11.735 1.624 1.00 . A B . 9 LYS CD 1 1 3 1786 1 1 9 LYS CE C -3.292 -11.856 1.927 1.00 . A B . 9 LYS CE 1 1 3 1787 1 1 9 LYS CG C -1.377 -10.277 1.424 1.00 . A B . 9 LYS CG 1 1 3 1788 1 1 9 LYS H H 0.815 -7.873 2.979 1.00 . A B . 9 LYS H 1 1 3 1789 1 1 9 LYS HA H -1.807 -7.556 1.736 1.00 . A B . 9 LYS HA 1 1 3 1790 1 1 9 LYS HB2 H -0.937 -9.882 3.456 1.00 . A B . 9 LYS HB2 1 1 3 1791 1 1 9 LYS HB3 H -2.599 -9.547 3.001 1.00 . A B . 9 LYS HB3 1 1 3 1792 1 1 9 LYS HD2 H -1.577 -12.290 0.724 1.00 . A B . 9 LYS HD2 1 1 3 1793 1 1 9 LYS HD3 H -1.237 -12.150 2.450 1.00 . A B . 9 LYS HD3 1 1 3 1794 1 1 9 LYS HE2 H -3.519 -11.294 2.820 1.00 . A B . 9 LYS HE2 1 1 3 1795 1 1 9 LYS HE3 H -3.850 -11.448 1.096 1.00 . A B . 9 LYS HE3 1 1 3 1796 1 1 9 LYS HG2 H -1.980 -9.842 0.640 1.00 . A B . 9 LYS HG2 1 1 3 1797 1 1 9 LYS HG3 H -0.336 -10.230 1.147 1.00 . A B . 9 LYS HG3 1 1 3 1798 1 1 9 LYS HZ1 H -3.460 -13.855 1.343 1.00 . A B . 9 LYS HZ1 1 1 3 1799 1 1 9 LYS HZ2 H -4.746 -13.300 2.275 1.00 . A B . 9 LYS HZ2 1 1 3 1800 1 1 9 LYS HZ3 H -3.268 -13.653 2.998 1.00 . A B . 9 LYS HZ3 1 1 3 1801 1 1 9 LYS N N 0.144 -7.730 2.279 1.00 . A B . 9 LYS N 1 1 3 1802 1 1 9 LYS NZ N -3.716 -13.251 2.151 1.00 . A B . 9 LYS NZ 1 1 3 1803 1 1 9 LYS O O -1.454 -7.803 4.930 1.00 . A B . 9 LYS O 1 1 3 1804 1 1 10 LEU C C -3.833 -4.808 4.593 1.00 . A B . 10 LEU C 1 1 3 1805 1 1 10 LEU CA C -2.429 -5.238 4.799 1.00 . A B . 10 LEU CA 1 1 3 1806 1 1 10 LEU CB C -1.532 -4.022 5.052 1.00 . A B . 10 LEU CB 1 1 3 1807 1 1 10 LEU CD1 C 0.652 -5.308 5.376 1.00 . A B . 10 LEU CD1 1 1 3 1808 1 1 10 LEU CD2 C 0.485 -2.936 6.069 1.00 . A B . 10 LEU CD2 1 1 3 1809 1 1 10 LEU CG C -0.273 -4.232 5.921 1.00 . A B . 10 LEU CG 1 1 3 1810 1 1 10 LEU H H -2.032 -5.665 2.776 1.00 . A B . 10 LEU H 1 1 3 1811 1 1 10 LEU HA H -2.414 -5.869 5.675 1.00 . A B . 10 LEU HA 1 1 3 1812 1 1 10 LEU HB2 H -1.254 -3.607 4.099 1.00 . A B . 10 LEU HB2 1 1 3 1813 1 1 10 LEU HB3 H -2.148 -3.283 5.545 1.00 . A B . 10 LEU HB3 1 1 3 1814 1 1 10 LEU HD11 H 0.130 -6.254 5.359 1.00 . A B . 10 LEU HD11 1 1 3 1815 1 1 10 LEU HD12 H 1.528 -5.388 6.002 1.00 . A B . 10 LEU HD12 1 1 3 1816 1 1 10 LEU HD13 H 0.946 -5.047 4.372 1.00 . A B . 10 LEU HD13 1 1 3 1817 1 1 10 LEU HD21 H 0.792 -2.588 5.095 1.00 . A B . 10 LEU HD21 1 1 3 1818 1 1 10 LEU HD22 H 1.358 -3.092 6.684 1.00 . A B . 10 LEU HD22 1 1 3 1819 1 1 10 LEU HD23 H -0.152 -2.195 6.527 1.00 . A B . 10 LEU HD23 1 1 3 1820 1 1 10 LEU HG H -0.633 -4.515 6.899 1.00 . A B . 10 LEU HG 1 1 3 1821 1 1 10 LEU N N -1.999 -6.041 3.682 1.00 . A B . 10 LEU N 1 1 3 1822 1 1 10 LEU O O -4.395 -4.977 3.509 1.00 . A B . 10 LEU O 1 1 3 1823 1 1 11 CYS C C -6.036 -2.893 6.642 1.00 . A B . 11 CYS C 1 1 3 1824 1 1 11 CYS CA C -5.779 -3.878 5.562 1.00 . A B . 11 CYS CA 1 1 3 1825 1 1 11 CYS CB C -6.643 -5.135 5.740 1.00 . A B . 11 CYS CB 1 1 3 1826 1 1 11 CYS H H -3.857 -4.069 6.408 1.00 . A B . 11 CYS H 1 1 3 1827 1 1 11 CYS HA H -6.002 -3.440 4.600 1.00 . A B . 11 CYS HA 1 1 3 1828 1 1 11 CYS HB2 H -6.400 -5.734 4.883 1.00 . A B . 11 CYS HB2 1 1 3 1829 1 1 11 CYS HB3 H -6.372 -5.639 6.652 1.00 . A B . 11 CYS HB3 1 1 3 1830 1 1 11 CYS N N -4.396 -4.251 5.600 1.00 . A B . 11 CYS N 1 1 3 1831 1 1 11 CYS O O -5.198 -2.723 7.551 1.00 . A B . 11 CYS O 1 1 3 1832 1 1 11 CYS SG S -8.462 -4.943 5.661 1.00 . A B . 11 CYS SG 1 1 3 1833 1 1 12 GLY C C -6.542 -0.178 7.772 1.00 . A B . 12 GLY C 1 1 3 1834 1 1 12 GLY CA C -7.570 -1.252 7.504 1.00 . A B . 12 GLY CA 1 1 3 1835 1 1 12 GLY H H -7.692 -2.459 5.745 1.00 . A B . 12 GLY H 1 1 3 1836 1 1 12 GLY HA2 H -8.483 -0.780 7.181 1.00 . A B . 12 GLY HA2 1 1 3 1837 1 1 12 GLY HA3 H -7.769 -1.767 8.433 1.00 . A B . 12 GLY HA3 1 1 3 1838 1 1 12 GLY N N -7.144 -2.232 6.531 1.00 . A B . 12 GLY N 1 1 3 1839 1 1 12 GLY O O -5.942 0.401 6.836 1.00 . A B . 12 GLY O 1 1 3 1840 1 1 13 ARG C C -3.928 0.709 9.075 1.00 . A B . 13 ARG C 1 1 3 1841 1 1 13 ARG CA C -5.360 1.047 9.477 1.00 . A B . 13 ARG CA 1 1 3 1842 1 1 13 ARG CB C -5.446 1.282 10.989 1.00 . A B . 13 ARG CB 1 1 3 1843 1 1 13 ARG CD C -4.537 2.532 12.973 1.00 . A B . 13 ARG CD 1 1 3 1844 1 1 13 ARG CG C -4.469 2.337 11.483 1.00 . A B . 13 ARG CG 1 1 3 1845 1 1 13 ARG CZ C -3.094 3.573 14.709 1.00 . A B . 13 ARG CZ 1 1 3 1846 1 1 13 ARG H H -6.766 -0.507 9.701 1.00 . A B . 13 ARG H 1 1 3 1847 1 1 13 ARG HA H -5.629 1.966 8.978 1.00 . A B . 13 ARG HA 1 1 3 1848 1 1 13 ARG HB2 H -6.448 1.599 11.238 1.00 . A B . 13 ARG HB2 1 1 3 1849 1 1 13 ARG HB3 H -5.231 0.355 11.500 1.00 . A B . 13 ARG HB3 1 1 3 1850 1 1 13 ARG HD2 H -5.508 2.929 13.231 1.00 . A B . 13 ARG HD2 1 1 3 1851 1 1 13 ARG HD3 H -4.391 1.579 13.457 1.00 . A B . 13 ARG HD3 1 1 3 1852 1 1 13 ARG HE H -3.100 4.032 12.750 1.00 . A B . 13 ARG HE 1 1 3 1853 1 1 13 ARG HG2 H -3.467 2.030 11.223 1.00 . A B . 13 ARG HG2 1 1 3 1854 1 1 13 ARG HG3 H -4.695 3.270 10.990 1.00 . A B . 13 ARG HG3 1 1 3 1855 1 1 13 ARG HH11 H -4.413 2.199 15.487 1.00 . A B . 13 ARG HH11 1 1 3 1856 1 1 13 ARG HH12 H -3.367 2.894 16.633 1.00 . A B . 13 ARG HH12 1 1 3 1857 1 1 13 ARG HH21 H -1.681 4.986 14.301 1.00 . A B . 13 ARG HH21 1 1 3 1858 1 1 13 ARG HH22 H -1.784 4.526 15.950 1.00 . A B . 13 ARG HH22 1 1 3 1859 1 1 13 ARG N N -6.293 0.041 9.038 1.00 . A B . 13 ARG N 1 1 3 1860 1 1 13 ARG NE N -3.508 3.464 13.443 1.00 . A B . 13 ARG NE 1 1 3 1861 1 1 13 ARG NH1 N -3.663 2.842 15.673 1.00 . A B . 13 ARG NH1 1 1 3 1862 1 1 13 ARG NH2 N -2.118 4.422 15.009 1.00 . A B . 13 ARG NH2 1 1 3 1863 1 1 13 ARG O O -3.182 1.603 8.712 1.00 . A B . 13 ARG O 1 1 3 1864 1 1 14 GLU C C -1.889 -0.604 7.316 1.00 . A B . 14 GLU C 1 1 3 1865 1 1 14 GLU CA C -2.178 -0.958 8.745 1.00 . A B . 14 GLU CA 1 1 3 1866 1 1 14 GLU CB C -1.928 -2.445 8.944 1.00 . A B . 14 GLU CB 1 1 3 1867 1 1 14 GLU CD C -1.633 -4.400 10.455 1.00 . A B . 14 GLU CD 1 1 3 1868 1 1 14 GLU CG C -1.948 -2.931 10.376 1.00 . A B . 14 GLU CG 1 1 3 1869 1 1 14 GLU H H -4.200 -1.306 9.249 1.00 . A B . 14 GLU H 1 1 3 1870 1 1 14 GLU HA H -1.504 -0.393 9.375 1.00 . A B . 14 GLU HA 1 1 3 1871 1 1 14 GLU HB2 H -2.689 -2.986 8.402 1.00 . A B . 14 GLU HB2 1 1 3 1872 1 1 14 GLU HB3 H -0.968 -2.689 8.514 1.00 . A B . 14 GLU HB3 1 1 3 1873 1 1 14 GLU HG2 H -1.206 -2.385 10.941 1.00 . A B . 14 GLU HG2 1 1 3 1874 1 1 14 GLU HG3 H -2.928 -2.760 10.797 1.00 . A B . 14 GLU HG3 1 1 3 1875 1 1 14 GLU N N -3.555 -0.584 9.077 1.00 . A B . 14 GLU N 1 1 3 1876 1 1 14 GLU O O -0.799 -0.156 6.983 1.00 . A B . 14 GLU O 1 1 3 1877 1 1 14 GLU OE1 O -0.496 -4.790 10.156 1.00 . A B . 14 GLU OE1 1 1 3 1878 1 1 14 GLU OE2 O -2.540 -5.209 10.765 1.00 . A B . 14 GLU OE2 1 1 3 1879 1 1 15 LEU C C -2.527 1.000 4.875 1.00 . A B . 15 LEU C 1 1 3 1880 1 1 15 LEU CA C -2.783 -0.486 5.082 1.00 . A B . 15 LEU CA 1 1 3 1881 1 1 15 LEU CB C -4.082 -0.901 4.400 1.00 . A B . 15 LEU CB 1 1 3 1882 1 1 15 LEU CD1 C -3.099 -1.830 2.319 1.00 . A B . 15 LEU CD1 1 1 3 1883 1 1 15 LEU CD2 C -5.493 -1.233 2.395 1.00 . A B . 15 LEU CD2 1 1 3 1884 1 1 15 LEU CG C -4.115 -0.869 2.884 1.00 . A B . 15 LEU CG 1 1 3 1885 1 1 15 LEU H H -3.751 -1.070 6.859 1.00 . A B . 15 LEU H 1 1 3 1886 1 1 15 LEU HA H -1.968 -1.067 4.676 1.00 . A B . 15 LEU HA 1 1 3 1887 1 1 15 LEU HB2 H -4.310 -1.910 4.713 1.00 . A B . 15 LEU HB2 1 1 3 1888 1 1 15 LEU HB3 H -4.866 -0.254 4.767 1.00 . A B . 15 LEU HB3 1 1 3 1889 1 1 15 LEU HD11 H -3.140 -1.805 1.240 1.00 . A B . 15 LEU HD11 1 1 3 1890 1 1 15 LEU HD12 H -3.327 -2.829 2.663 1.00 . A B . 15 LEU HD12 1 1 3 1891 1 1 15 LEU HD13 H -2.109 -1.552 2.648 1.00 . A B . 15 LEU HD13 1 1 3 1892 1 1 15 LEU HD21 H -5.480 -1.255 1.316 1.00 . A B . 15 LEU HD21 1 1 3 1893 1 1 15 LEU HD22 H -6.211 -0.507 2.743 1.00 . A B . 15 LEU HD22 1 1 3 1894 1 1 15 LEU HD23 H -5.755 -2.209 2.780 1.00 . A B . 15 LEU HD23 1 1 3 1895 1 1 15 LEU HG H -3.882 0.126 2.533 1.00 . A B . 15 LEU HG 1 1 3 1896 1 1 15 LEU N N -2.899 -0.760 6.489 1.00 . A B . 15 LEU N 1 1 3 1897 1 1 15 LEU O O -1.650 1.381 4.115 1.00 . A B . 15 LEU O 1 1 3 1898 1 1 16 VAL C C -1.704 3.666 6.172 1.00 . A B . 16 VAL C 1 1 3 1899 1 1 16 VAL CA C -3.069 3.276 5.596 1.00 . A B . 16 VAL CA 1 1 3 1900 1 1 16 VAL CB C -4.212 3.981 6.384 1.00 . A B . 16 VAL CB 1 1 3 1901 1 1 16 VAL CG1 C -4.062 5.494 6.374 1.00 . A B . 16 VAL CG1 1 1 3 1902 1 1 16 VAL CG2 C -5.562 3.585 5.820 1.00 . A B . 16 VAL CG2 1 1 3 1903 1 1 16 VAL H H -3.909 1.432 6.244 1.00 . A B . 16 VAL H 1 1 3 1904 1 1 16 VAL HA H -3.094 3.601 4.563 1.00 . A B . 16 VAL HA 1 1 3 1905 1 1 16 VAL HB H -4.168 3.646 7.410 1.00 . A B . 16 VAL HB 1 1 3 1906 1 1 16 VAL HG11 H -3.125 5.764 6.840 1.00 . A B . 16 VAL HG11 1 1 3 1907 1 1 16 VAL HG12 H -4.879 5.938 6.924 1.00 . A B . 16 VAL HG12 1 1 3 1908 1 1 16 VAL HG13 H -4.075 5.852 5.355 1.00 . A B . 16 VAL HG13 1 1 3 1909 1 1 16 VAL HG21 H -5.703 2.520 5.929 1.00 . A B . 16 VAL HG21 1 1 3 1910 1 1 16 VAL HG22 H -5.606 3.849 4.774 1.00 . A B . 16 VAL HG22 1 1 3 1911 1 1 16 VAL HG23 H -6.342 4.110 6.351 1.00 . A B . 16 VAL HG23 1 1 3 1912 1 1 16 VAL N N -3.235 1.818 5.640 1.00 . A B . 16 VAL N 1 1 3 1913 1 1 16 VAL O O -1.027 4.557 5.658 1.00 . A B . 16 VAL O 1 1 3 1914 1 1 17 ARG C C 1.134 2.944 6.880 1.00 . A B . 17 ARG C 1 1 3 1915 1 1 17 ARG CA C -0.005 3.183 7.849 1.00 . A B . 17 ARG CA 1 1 3 1916 1 1 17 ARG CB C 0.145 2.324 9.103 1.00 . A B . 17 ARG CB 1 1 3 1917 1 1 17 ARG CD C -0.578 1.898 11.471 1.00 . A B . 17 ARG CD 1 1 3 1918 1 1 17 ARG CG C -0.763 2.755 10.235 1.00 . A B . 17 ARG CG 1 1 3 1919 1 1 17 ARG CZ C 1.201 1.317 13.115 1.00 . A B . 17 ARG CZ 1 1 3 1920 1 1 17 ARG H H -1.907 2.280 7.572 1.00 . A B . 17 ARG H 1 1 3 1921 1 1 17 ARG HA H 0.029 4.222 8.134 1.00 . A B . 17 ARG HA 1 1 3 1922 1 1 17 ARG HB2 H -0.116 1.311 8.839 1.00 . A B . 17 ARG HB2 1 1 3 1923 1 1 17 ARG HB3 H 1.163 2.329 9.453 1.00 . A B . 17 ARG HB3 1 1 3 1924 1 1 17 ARG HD2 H -1.303 2.196 12.214 1.00 . A B . 17 ARG HD2 1 1 3 1925 1 1 17 ARG HD3 H -0.747 0.867 11.200 1.00 . A B . 17 ARG HD3 1 1 3 1926 1 1 17 ARG HE H 1.364 2.662 11.608 1.00 . A B . 17 ARG HE 1 1 3 1927 1 1 17 ARG HG2 H -0.539 3.782 10.481 1.00 . A B . 17 ARG HG2 1 1 3 1928 1 1 17 ARG HG3 H -1.788 2.682 9.901 1.00 . A B . 17 ARG HG3 1 1 3 1929 1 1 17 ARG HH11 H -0.554 0.307 13.427 1.00 . A B . 17 ARG HH11 1 1 3 1930 1 1 17 ARG HH12 H 0.703 -0.080 14.518 1.00 . A B . 17 ARG HH12 1 1 3 1931 1 1 17 ARG HH21 H 3.089 2.122 13.155 1.00 . A B . 17 ARG HH21 1 1 3 1932 1 1 17 ARG HH22 H 2.775 0.969 14.362 1.00 . A B . 17 ARG HH22 1 1 3 1933 1 1 17 ARG N N -1.296 2.962 7.213 1.00 . A B . 17 ARG N 1 1 3 1934 1 1 17 ARG NE N 0.767 2.019 12.053 1.00 . A B . 17 ARG NE 1 1 3 1935 1 1 17 ARG NH1 N 0.391 0.458 13.727 1.00 . A B . 17 ARG NH1 1 1 3 1936 1 1 17 ARG NH2 N 2.435 1.484 13.567 1.00 . A B . 17 ARG NH2 1 1 3 1937 1 1 17 ARG O O 2.099 3.716 6.842 1.00 . A B . 17 ARG O 1 1 3 1938 1 1 18 ALA C C 1.974 2.652 3.984 1.00 . A B . 18 ALA C 1 1 3 1939 1 1 18 ALA CA C 1.986 1.585 5.070 1.00 . A B . 18 ALA CA 1 1 3 1940 1 1 18 ALA CB C 1.719 0.213 4.478 1.00 . A B . 18 ALA CB 1 1 3 1941 1 1 18 ALA H H 0.215 1.335 6.219 1.00 . A B . 18 ALA H 1 1 3 1942 1 1 18 ALA HA H 2.958 1.580 5.540 1.00 . A B . 18 ALA HA 1 1 3 1943 1 1 18 ALA HB1 H 2.479 -0.019 3.747 1.00 . A B . 18 ALA HB1 1 1 3 1944 1 1 18 ALA HB2 H 0.748 0.210 4.003 1.00 . A B . 18 ALA HB2 1 1 3 1945 1 1 18 ALA HB3 H 1.737 -0.527 5.264 1.00 . A B . 18 ALA HB3 1 1 3 1946 1 1 18 ALA N N 1.003 1.906 6.088 1.00 . A B . 18 ALA N 1 1 3 1947 1 1 18 ALA O O 3.016 3.147 3.592 1.00 . A B . 18 ALA O 1 1 3 1948 1 1 19 GLN C C 1.273 5.344 2.887 1.00 . A B . 19 GLN C 1 1 3 1949 1 1 19 GLN CA C 0.548 4.053 2.524 1.00 . A B . 19 GLN CA 1 1 3 1950 1 1 19 GLN CB C -0.958 4.304 2.414 1.00 . A B . 19 GLN CB 1 1 3 1951 1 1 19 GLN CD C -3.163 3.282 1.654 1.00 . A B . 19 GLN CD 1 1 3 1952 1 1 19 GLN CG C -1.663 3.198 1.688 1.00 . A B . 19 GLN CG 1 1 3 1953 1 1 19 GLN H H -0.010 2.543 3.907 1.00 . A B . 19 GLN H 1 1 3 1954 1 1 19 GLN HA H 0.902 3.672 1.575 1.00 . A B . 19 GLN HA 1 1 3 1955 1 1 19 GLN HB2 H -1.335 4.319 3.428 1.00 . A B . 19 GLN HB2 1 1 3 1956 1 1 19 GLN HB3 H -1.183 5.257 1.970 1.00 . A B . 19 GLN HB3 1 1 3 1957 1 1 19 GLN HE21 H -3.143 2.199 0.026 1.00 . A B . 19 GLN HE21 1 1 3 1958 1 1 19 GLN HE22 H -4.703 2.650 0.609 1.00 . A B . 19 GLN HE22 1 1 3 1959 1 1 19 GLN HG2 H -1.352 3.287 0.659 1.00 . A B . 19 GLN HG2 1 1 3 1960 1 1 19 GLN HG3 H -1.359 2.247 2.098 1.00 . A B . 19 GLN HG3 1 1 3 1961 1 1 19 GLN N N 0.774 3.008 3.537 1.00 . A B . 19 GLN N 1 1 3 1962 1 1 19 GLN NE2 N -3.729 2.659 0.660 1.00 . A B . 19 GLN NE2 1 1 3 1963 1 1 19 GLN O O 2.123 5.836 2.138 1.00 . A B . 19 GLN O 1 1 3 1964 1 1 19 GLN OE1 O -3.813 3.845 2.531 1.00 . A B . 19 GLN OE1 1 1 3 1965 1 1 20 ILE C C 3.090 6.940 4.730 1.00 . A B . 20 ILE C 1 1 3 1966 1 1 20 ILE CA C 1.562 7.076 4.575 1.00 . A B . 20 ILE CA 1 1 3 1967 1 1 20 ILE CB C 0.864 7.547 5.909 1.00 . A B . 20 ILE CB 1 1 3 1968 1 1 20 ILE CD1 C -1.485 7.657 4.812 1.00 . A B . 20 ILE CD1 1 1 3 1969 1 1 20 ILE CG1 C -0.415 8.365 5.614 1.00 . A B . 20 ILE CG1 1 1 3 1970 1 1 20 ILE CG2 C 1.798 8.343 6.820 1.00 . A B . 20 ILE CG2 1 1 3 1971 1 1 20 ILE H H 0.250 5.398 4.560 1.00 . A B . 20 ILE H 1 1 3 1972 1 1 20 ILE HA H 1.396 7.834 3.822 1.00 . A B . 20 ILE HA 1 1 3 1973 1 1 20 ILE HB H 0.575 6.654 6.441 1.00 . A B . 20 ILE HB 1 1 3 1974 1 1 20 ILE HD11 H -1.817 6.779 5.348 1.00 . A B . 20 ILE HD11 1 1 3 1975 1 1 20 ILE HD12 H -1.079 7.361 3.856 1.00 . A B . 20 ILE HD12 1 1 3 1976 1 1 20 ILE HD13 H -2.318 8.324 4.656 1.00 . A B . 20 ILE HD13 1 1 3 1977 1 1 20 ILE HG12 H -0.863 8.650 6.554 1.00 . A B . 20 ILE HG12 1 1 3 1978 1 1 20 ILE HG13 H -0.136 9.262 5.081 1.00 . A B . 20 ILE HG13 1 1 3 1979 1 1 20 ILE HG21 H 2.647 7.730 7.086 1.00 . A B . 20 ILE HG21 1 1 3 1980 1 1 20 ILE HG22 H 1.270 8.633 7.715 1.00 . A B . 20 ILE HG22 1 1 3 1981 1 1 20 ILE HG23 H 2.140 9.225 6.299 1.00 . A B . 20 ILE HG23 1 1 3 1982 1 1 20 ILE N N 0.952 5.858 4.047 1.00 . A B . 20 ILE N 1 1 3 1983 1 1 20 ILE O O 3.835 7.895 4.453 1.00 . A B . 20 ILE O 1 1 3 1984 1 1 21 ALA C C 5.684 5.608 3.909 1.00 . A B . 21 ALA C 1 1 3 1985 1 1 21 ALA CA C 4.983 5.503 5.261 1.00 . A B . 21 ALA CA 1 1 3 1986 1 1 21 ALA CB C 5.240 4.139 5.890 1.00 . A B . 21 ALA CB 1 1 3 1987 1 1 21 ALA H H 2.913 5.031 5.295 1.00 . A B . 21 ALA H 1 1 3 1988 1 1 21 ALA HA H 5.380 6.268 5.913 1.00 . A B . 21 ALA HA 1 1 3 1989 1 1 21 ALA HB1 H 4.859 3.368 5.236 1.00 . A B . 21 ALA HB1 1 1 3 1990 1 1 21 ALA HB2 H 4.741 4.078 6.845 1.00 . A B . 21 ALA HB2 1 1 3 1991 1 1 21 ALA HB3 H 6.302 4.000 6.028 1.00 . A B . 21 ALA HB3 1 1 3 1992 1 1 21 ALA N N 3.551 5.755 5.114 1.00 . A B . 21 ALA N 1 1 3 1993 1 1 21 ALA O O 6.736 6.244 3.791 1.00 . A B . 21 ALA O 1 1 3 1994 1 1 22 ILE C C 5.673 6.485 1.034 1.00 . A B . 22 ILE C 1 1 3 1995 1 1 22 ILE CA C 5.610 5.052 1.522 1.00 . A B . 22 ILE CA 1 1 3 1996 1 1 22 ILE CB C 4.732 4.263 0.520 1.00 . A B . 22 ILE CB 1 1 3 1997 1 1 22 ILE CD1 C 3.501 2.088 0.139 1.00 . A B . 22 ILE CD1 1 1 3 1998 1 1 22 ILE CG1 C 4.514 2.831 0.979 1.00 . A B . 22 ILE CG1 1 1 3 1999 1 1 22 ILE CG2 C 5.388 4.264 -0.859 1.00 . A B . 22 ILE CG2 1 1 3 2000 1 1 22 ILE H H 4.235 4.531 3.066 1.00 . A B . 22 ILE H 1 1 3 2001 1 1 22 ILE HA H 6.603 4.628 1.532 1.00 . A B . 22 ILE HA 1 1 3 2002 1 1 22 ILE HB H 3.778 4.762 0.442 1.00 . A B . 22 ILE HB 1 1 3 2003 1 1 22 ILE HD11 H 3.348 1.095 0.533 1.00 . A B . 22 ILE HD11 1 1 3 2004 1 1 22 ILE HD12 H 3.849 2.030 -0.882 1.00 . A B . 22 ILE HD12 1 1 3 2005 1 1 22 ILE HD13 H 2.570 2.634 0.167 1.00 . A B . 22 ILE HD13 1 1 3 2006 1 1 22 ILE HG12 H 5.451 2.298 0.921 1.00 . A B . 22 ILE HG12 1 1 3 2007 1 1 22 ILE HG13 H 4.166 2.833 2.001 1.00 . A B . 22 ILE HG13 1 1 3 2008 1 1 22 ILE HG21 H 6.374 3.829 -0.788 1.00 . A B . 22 ILE HG21 1 1 3 2009 1 1 22 ILE HG22 H 5.463 5.276 -1.230 1.00 . A B . 22 ILE HG22 1 1 3 2010 1 1 22 ILE HG23 H 4.785 3.673 -1.531 1.00 . A B . 22 ILE HG23 1 1 3 2011 1 1 22 ILE N N 5.071 5.017 2.885 1.00 . A B . 22 ILE N 1 1 3 2012 1 1 22 ILE O O 6.639 6.896 0.425 1.00 . A B . 22 ILE O 1 1 3 2013 1 1 23 CYS C C 5.540 9.530 1.654 1.00 . A B . 23 CYS C 1 1 3 2014 1 1 23 CYS CA C 4.578 8.625 0.919 1.00 . A B . 23 CYS CA 1 1 3 2015 1 1 23 CYS CB C 3.158 9.103 1.080 1.00 . A B . 23 CYS CB 1 1 3 2016 1 1 23 CYS H H 3.942 6.870 1.915 1.00 . A B . 23 CYS H 1 1 3 2017 1 1 23 CYS HA H 4.817 8.637 -0.133 1.00 . A B . 23 CYS HA 1 1 3 2018 1 1 23 CYS HB2 H 2.838 8.840 2.079 1.00 . A B . 23 CYS HB2 1 1 3 2019 1 1 23 CYS HB3 H 3.161 10.172 0.975 1.00 . A B . 23 CYS HB3 1 1 3 2020 1 1 23 CYS N N 4.668 7.253 1.373 1.00 . A B . 23 CYS N 1 1 3 2021 1 1 23 CYS O O 5.984 10.548 1.128 1.00 . A B . 23 CYS O 1 1 3 2022 1 1 23 CYS SG S 2.028 8.326 -0.115 1.00 . A B . 23 CYS SG 1 1 3 2023 1 1 24 GLY C C 8.318 9.535 3.029 1.00 . A B . 24 GLY C 1 1 3 2024 1 1 24 GLY CA C 6.925 9.818 3.576 1.00 . A B . 24 GLY CA 1 1 3 2025 1 1 24 GLY H H 5.419 8.351 3.174 1.00 . A B . 24 GLY H 1 1 3 2026 1 1 24 GLY HA2 H 6.730 10.879 3.517 1.00 . A B . 24 GLY HA2 1 1 3 2027 1 1 24 GLY HA3 H 6.883 9.502 4.607 1.00 . A B . 24 GLY HA3 1 1 3 2028 1 1 24 GLY N N 5.912 9.119 2.819 1.00 . A B . 24 GLY N 1 1 3 2029 1 1 24 GLY O O 9.254 10.303 3.244 1.00 . A B . 24 GLY O 1 1 3 2030 1 1 25 MET C C 9.541 7.865 0.195 1.00 . A B . 25 MET C 1 1 3 2031 1 1 25 MET CA C 9.707 8.010 1.706 1.00 . A B . 25 MET CA 1 1 3 2032 1 1 25 MET CB C 10.113 6.647 2.307 1.00 . A B . 25 MET CB 1 1 3 2033 1 1 25 MET CE C 9.224 4.142 4.151 1.00 . A B . 25 MET CE 1 1 3 2034 1 1 25 MET CG C 10.384 6.659 3.810 1.00 . A B . 25 MET CG 1 1 3 2035 1 1 25 MET H H 7.638 7.904 2.121 1.00 . A B . 25 MET H 1 1 3 2036 1 1 25 MET HA H 10.467 8.743 1.923 1.00 . A B . 25 MET HA 1 1 3 2037 1 1 25 MET HB2 H 9.315 5.946 2.116 1.00 . A B . 25 MET HB2 1 1 3 2038 1 1 25 MET HB3 H 11.003 6.300 1.803 1.00 . A B . 25 MET HB3 1 1 3 2039 1 1 25 MET HE1 H 9.293 3.132 4.526 1.00 . A B . 25 MET HE1 1 1 3 2040 1 1 25 MET HE2 H 9.039 4.121 3.088 1.00 . A B . 25 MET HE2 1 1 3 2041 1 1 25 MET HE3 H 8.411 4.653 4.645 1.00 . A B . 25 MET HE3 1 1 3 2042 1 1 25 MET HG2 H 11.224 7.307 4.005 1.00 . A B . 25 MET HG2 1 1 3 2043 1 1 25 MET HG3 H 9.510 7.045 4.314 1.00 . A B . 25 MET HG3 1 1 3 2044 1 1 25 MET N N 8.439 8.448 2.292 1.00 . A B . 25 MET N 1 1 3 2045 1 1 25 MET O O 10.176 7.012 -0.441 1.00 . A B . 25 MET O 1 1 3 2046 1 1 25 MET SD S 10.762 5.013 4.480 1.00 . A B . 25 MET SD 1 1 3 2047 1 1 26 SER C C 9.467 9.293 -2.672 1.00 . A B . 26 SER C 1 1 3 2048 1 1 26 SER CA C 8.411 8.627 -1.798 1.00 . A B . 26 SER CA 1 1 3 2049 1 1 26 SER CB C 6.993 9.176 -2.085 1.00 . A B . 26 SER CB 1 1 3 2050 1 1 26 SER H H 8.400 9.482 0.138 1.00 . A B . 26 SER H 1 1 3 2051 1 1 26 SER HA H 8.422 7.571 -2.032 1.00 . A B . 26 SER HA 1 1 3 2052 1 1 26 SER HB2 H 6.292 8.679 -1.434 1.00 . A B . 26 SER HB2 1 1 3 2053 1 1 26 SER HB3 H 6.978 10.238 -1.887 1.00 . A B . 26 SER HB3 1 1 3 2054 1 1 26 SER HG H 7.246 9.341 -4.023 1.00 . A B . 26 SER HG 1 1 3 2055 1 1 26 SER N N 8.745 8.734 -0.391 1.00 . A B . 26 SER N 1 1 3 2056 1 1 26 SER O O 9.250 10.354 -3.257 1.00 . A B . 26 SER O 1 1 3 2057 1 1 26 SER OG O 6.584 8.948 -3.437 1.00 . A B . 26 SER OG 1 1 3 2058 1 1 27 THR C C 11.557 8.577 -4.932 1.00 . A B . 27 THR C 1 1 3 2059 1 1 27 THR CA C 11.716 9.155 -3.527 1.00 . A B . 27 THR CA 1 1 3 2060 1 1 27 THR CB C 13.046 8.714 -2.907 1.00 . A B . 27 THR CB 1 1 3 2061 1 1 27 THR CG2 C 14.224 9.433 -3.553 1.00 . A B . 27 THR CG2 1 1 3 2062 1 1 27 THR H H 10.750 7.934 -2.087 1.00 . A B . 27 THR H 1 1 3 2063 1 1 27 THR HA H 11.670 10.226 -3.580 1.00 . A B . 27 THR HA 1 1 3 2064 1 1 27 THR HB H 13.145 7.648 -3.046 1.00 . A B . 27 THR HB 1 1 3 2065 1 1 27 THR HG1 H 12.493 9.834 -1.394 1.00 . A B . 27 THR HG1 1 1 3 2066 1 1 27 THR HG21 H 14.245 9.211 -4.609 1.00 . A B . 27 THR HG21 1 1 3 2067 1 1 27 THR HG22 H 15.144 9.101 -3.096 1.00 . A B . 27 THR HG22 1 1 3 2068 1 1 27 THR HG23 H 14.117 10.498 -3.410 1.00 . A B . 27 THR HG23 1 1 3 2069 1 1 27 THR N N 10.623 8.693 -2.699 1.00 . A B . 27 THR N 1 1 3 2070 1 1 27 THR O O 12.099 9.076 -5.921 1.00 . A B . 27 THR O 1 1 3 2071 1 1 27 THR OG1 O 13.018 9.030 -1.501 1.00 . A B . 27 THR OG1 1 1 3 2072 1 1 28 TRP C C 8.952 6.735 -6.252 1.00 . A B . 28 TRP C 1 1 3 2073 1 1 28 TRP CA C 10.456 6.848 -6.187 1.00 . A B . 28 TRP CA 1 1 3 2074 1 1 28 TRP CB C 11.071 5.437 -6.154 1.00 . A B . 28 TRP CB 1 1 3 2075 1 1 28 TRP CD1 C 13.185 5.219 -4.718 1.00 . A B . 28 TRP CD1 1 1 3 2076 1 1 28 TRP CD2 C 13.594 5.562 -6.891 1.00 . A B . 28 TRP CD2 1 1 3 2077 1 1 28 TRP CE2 C 14.823 5.461 -6.209 1.00 . A B . 28 TRP CE2 1 1 3 2078 1 1 28 TRP CE3 C 13.607 5.778 -8.273 1.00 . A B . 28 TRP CE3 1 1 3 2079 1 1 28 TRP CG C 12.556 5.405 -5.915 1.00 . A B . 28 TRP CG 1 1 3 2080 1 1 28 TRP CH2 C 16.029 5.776 -8.212 1.00 . A B . 28 TRP CH2 1 1 3 2081 1 1 28 TRP CZ2 C 16.049 5.567 -6.860 1.00 . A B . 28 TRP CZ2 1 1 3 2082 1 1 28 TRP CZ3 C 14.824 5.882 -8.918 1.00 . A B . 28 TRP CZ3 1 1 3 2083 1 1 28 TRP H H 10.346 7.344 -4.133 1.00 . A B . 28 TRP H 1 1 3 2084 1 1 28 TRP HA H 10.830 7.394 -7.040 1.00 . A B . 28 TRP HA 1 1 3 2085 1 1 28 TRP HB2 H 10.597 4.874 -5.364 1.00 . A B . 28 TRP HB2 1 1 3 2086 1 1 28 TRP HB3 H 10.870 4.951 -7.098 1.00 . A B . 28 TRP HB3 1 1 3 2087 1 1 28 TRP HD1 H 12.668 5.069 -3.782 1.00 . A B . 28 TRP HD1 1 1 3 2088 1 1 28 TRP HE1 H 15.205 5.146 -4.167 1.00 . A B . 28 TRP HE1 1 1 3 2089 1 1 28 TRP HE3 H 12.688 5.863 -8.832 1.00 . A B . 28 TRP HE3 1 1 3 2090 1 1 28 TRP HH2 H 16.956 5.864 -8.760 1.00 . A B . 28 TRP HH2 1 1 3 2091 1 1 28 TRP HZ2 H 16.986 5.487 -6.332 1.00 . A B . 28 TRP HZ2 1 1 3 2092 1 1 28 TRP HZ3 H 14.853 6.047 -9.984 1.00 . A B . 28 TRP HZ3 1 1 3 2093 1 1 28 TRP N N 10.770 7.569 -4.984 1.00 . A B . 28 TRP N 1 1 3 2094 1 1 28 TRP NE1 N 14.542 5.257 -4.886 1.00 . A B . 28 TRP NE1 1 1 3 2095 1 1 28 TRP O O 8.274 6.980 -5.248 1.00 . A B . 28 TRP O 1 1 3 2096 1 1 29 SER C C 6.643 4.779 -7.207 1.00 . A B . 29 SER C 1 1 3 2097 1 1 29 SER CA C 7.017 6.225 -7.540 1.00 . A B . 29 SER CA 1 1 3 2098 1 1 29 SER CB C 6.601 6.619 -8.972 1.00 . A B . 29 SER CB 1 1 3 2099 1 1 29 SER H H 8.998 6.183 -8.162 1.00 . A B . 29 SER H 1 1 3 2100 1 1 29 SER HA H 6.534 6.881 -6.831 1.00 . A B . 29 SER HA 1 1 3 2101 1 1 29 SER HB2 H 6.940 7.622 -9.181 1.00 . A B . 29 SER HB2 1 1 3 2102 1 1 29 SER HB3 H 7.063 5.939 -9.672 1.00 . A B . 29 SER HB3 1 1 3 2103 1 1 29 SER HG H 4.764 7.090 -8.462 1.00 . A B . 29 SER HG 1 1 3 2104 1 1 29 SER N N 8.431 6.377 -7.386 1.00 . A B . 29 SER N 1 1 3 2105 1 1 29 SER O O 6.813 3.870 -8.025 1.00 . A B . 29 SER O 1 1 3 2106 1 1 29 SER OG O 5.188 6.577 -9.162 1.00 . A B . 29 SER OG 1 1 3 2107 1 1 30 NH2 HN1 H 6.106 5.330 -5.401 1.00 . A B . 30 NH2 HN1 1 1 3 2108 1 1 30 NH2 HN2 H 6.019 3.631 -5.722 1.00 . A B . 30 NH2 HN2 1 1 3 2109 1 1 30 NH2 N N 6.213 4.553 -5.988 1.00 . A B . 30 NH2 N 1 1 3 2110 2 2 1 PCA C C -12.853 3.454 -5.430 1.00 . B A . 1 PCA C 1 1 3 2111 2 2 1 PCA CA C -14.054 4.388 -5.294 1.00 . B A . 1 PCA CA 1 1 3 2112 2 2 1 PCA CB C -14.125 4.945 -3.879 1.00 . B A . 1 PCA CB 1 1 3 2113 2 2 1 PCA CD C -15.972 3.519 -4.367 1.00 . B A . 1 PCA CD 1 1 3 2114 2 2 1 PCA CG C -15.440 4.459 -3.300 1.00 . B A . 1 PCA CG 1 1 3 2115 2 2 1 PCA HA H -13.951 5.183 -6.019 1.00 . B A . 1 PCA HA 1 1 3 2116 2 2 1 PCA HB2 H -13.292 4.565 -3.288 1.00 . B A . 1 PCA HB2 1 1 3 2117 2 2 1 PCA HB3 H -14.101 6.034 -3.902 1.00 . B A . 1 PCA HB3 1 1 3 2118 2 2 1 PCA HG2 H -15.269 3.936 -2.358 1.00 . B A . 1 PCA HG2 1 1 3 2119 2 2 1 PCA HG3 H -16.141 5.283 -3.170 1.00 . B A . 1 PCA HG3 1 1 3 2120 2 2 1 PCA N N -15.303 3.652 -5.516 1.00 . B A . 1 PCA N 1 1 3 2121 2 2 1 PCA O O -12.866 2.318 -4.912 1.00 . B A . 1 PCA O 1 1 3 2122 2 2 1 PCA OE O -16.885 2.726 -4.170 1.00 . B A . 1 PCA OE 1 1 3 2123 2 2 2 LEU C C -9.791 2.971 -5.151 1.00 . B A . 2 LEU C 1 1 3 2124 2 2 2 LEU CA C -10.638 3.096 -6.352 1.00 . B A . 2 LEU CA 1 1 3 2125 2 2 2 LEU CB C -9.841 3.473 -7.619 1.00 . B A . 2 LEU CB 1 1 3 2126 2 2 2 LEU CD1 C -11.731 4.049 -9.239 1.00 . B A . 2 LEU CD1 1 1 3 2127 2 2 2 LEU CD2 C -9.487 3.365 -10.111 1.00 . B A . 2 LEU CD2 1 1 3 2128 2 2 2 LEU CG C -10.499 3.186 -8.992 1.00 . B A . 2 LEU CG 1 1 3 2129 2 2 2 LEU H H -11.838 4.839 -6.444 1.00 . B A . 2 LEU H 1 1 3 2130 2 2 2 LEU HA H -10.935 2.067 -6.415 1.00 . B A . 2 LEU HA 1 1 3 2131 2 2 2 LEU HB2 H -9.625 4.530 -7.573 1.00 . B A . 2 LEU HB2 1 1 3 2132 2 2 2 LEU HB3 H -8.904 2.938 -7.584 1.00 . B A . 2 LEU HB3 1 1 3 2133 2 2 2 LEU HD11 H -12.456 3.870 -8.459 1.00 . B A . 2 LEU HD11 1 1 3 2134 2 2 2 LEU HD12 H -12.163 3.793 -10.195 1.00 . B A . 2 LEU HD12 1 1 3 2135 2 2 2 LEU HD13 H -11.449 5.091 -9.239 1.00 . B A . 2 LEU HD13 1 1 3 2136 2 2 2 LEU HD21 H -9.125 4.383 -10.109 1.00 . B A . 2 LEU HD21 1 1 3 2137 2 2 2 LEU HD22 H -9.960 3.154 -11.059 1.00 . B A . 2 LEU HD22 1 1 3 2138 2 2 2 LEU HD23 H -8.660 2.687 -9.964 1.00 . B A . 2 LEU HD23 1 1 3 2139 2 2 2 LEU HG H -10.823 2.156 -9.003 1.00 . B A . 2 LEU HG 1 1 3 2140 2 2 2 LEU N N -11.822 3.916 -6.108 1.00 . B A . 2 LEU N 1 1 3 2141 2 2 2 LEU O O -9.023 2.012 -5.023 1.00 . B A . 2 LEU O 1 1 3 2142 2 2 3 TYR C C -9.792 2.573 -2.244 1.00 . B A . 3 TYR C 1 1 3 2143 2 2 3 TYR CA C -9.237 3.770 -3.040 1.00 . B A . 3 TYR CA 1 1 3 2144 2 2 3 TYR CB C -9.279 5.046 -2.216 1.00 . B A . 3 TYR CB 1 1 3 2145 2 2 3 TYR CD1 C -7.227 4.537 -0.979 1.00 . B A . 3 TYR CD1 1 1 3 2146 2 2 3 TYR CD2 C -9.232 4.779 0.241 1.00 . B A . 3 TYR CD2 1 1 3 2147 2 2 3 TYR CE1 C -6.559 4.223 0.144 1.00 . B A . 3 TYR CE1 1 1 3 2148 2 2 3 TYR CE2 C -8.576 4.482 1.389 1.00 . B A . 3 TYR CE2 1 1 3 2149 2 2 3 TYR CG C -8.566 4.816 -0.955 1.00 . B A . 3 TYR CG 1 1 3 2150 2 2 3 TYR CZ C -7.231 4.193 1.349 1.00 . B A . 3 TYR CZ 1 1 3 2151 2 2 3 TYR H H -10.498 4.669 -4.433 1.00 . B A . 3 TYR H 1 1 3 2152 2 2 3 TYR HA H -8.211 3.546 -3.290 1.00 . B A . 3 TYR HA 1 1 3 2153 2 2 3 TYR HB2 H -8.795 5.848 -2.754 1.00 . B A . 3 TYR HB2 1 1 3 2154 2 2 3 TYR HB3 H -10.302 5.307 -1.989 1.00 . B A . 3 TYR HB3 1 1 3 2155 2 2 3 TYR HD1 H -6.703 4.567 -1.923 1.00 . B A . 3 TYR HD1 1 1 3 2156 2 2 3 TYR HD2 H -10.287 5.007 0.265 1.00 . B A . 3 TYR HD2 1 1 3 2157 2 2 3 TYR HE1 H -5.514 4.008 0.025 1.00 . B A . 3 TYR HE1 1 1 3 2158 2 2 3 TYR HE2 H -9.139 4.463 2.306 1.00 . B A . 3 TYR HE2 1 1 3 2159 2 2 3 TYR HH H -5.665 4.225 2.508 1.00 . B A . 3 TYR HH 1 1 3 2160 2 2 3 TYR N N -9.926 3.891 -4.255 1.00 . B A . 3 TYR N 1 1 3 2161 2 2 3 TYR O O -9.026 1.750 -1.725 1.00 . B A . 3 TYR O 1 1 3 2162 2 2 3 TYR OH O -6.564 3.856 2.518 1.00 . B A . 3 TYR OH 1 1 3 2163 2 2 4 SER C C -11.451 0.050 -2.246 1.00 . B A . 4 SER C 1 1 3 2164 2 2 4 SER CA C -11.762 1.369 -1.523 1.00 . B A . 4 SER CA 1 1 3 2165 2 2 4 SER CB C -13.258 1.638 -1.474 1.00 . B A . 4 SER CB 1 1 3 2166 2 2 4 SER H H -11.676 3.153 -2.599 1.00 . B A . 4 SER H 1 1 3 2167 2 2 4 SER HA H -11.378 1.317 -0.515 1.00 . B A . 4 SER HA 1 1 3 2168 2 2 4 SER HB2 H -13.658 1.618 -2.477 1.00 . B A . 4 SER HB2 1 1 3 2169 2 2 4 SER HB3 H -13.748 0.889 -0.869 1.00 . B A . 4 SER HB3 1 1 3 2170 2 2 4 SER HG H -13.242 2.883 0.025 1.00 . B A . 4 SER HG 1 1 3 2171 2 2 4 SER N N -11.108 2.467 -2.192 1.00 . B A . 4 SER N 1 1 3 2172 2 2 4 SER O O -11.366 -1.005 -1.624 1.00 . B A . 4 SER O 1 1 3 2173 2 2 4 SER OG O -13.497 2.920 -0.906 1.00 . B A . 4 SER OG 1 1 3 2174 2 2 5 ALA C C -9.512 -1.540 -3.878 1.00 . B A . 5 ALA C 1 1 3 2175 2 2 5 ALA CA C -10.850 -1.007 -4.362 1.00 . B A . 5 ALA CA 1 1 3 2176 2 2 5 ALA CB C -10.783 -0.645 -5.839 1.00 . B A . 5 ALA CB 1 1 3 2177 2 2 5 ALA H H -11.361 1.011 -3.998 1.00 . B A . 5 ALA H 1 1 3 2178 2 2 5 ALA HA H -11.600 -1.771 -4.219 1.00 . B A . 5 ALA HA 1 1 3 2179 2 2 5 ALA HB1 H -10.017 0.102 -5.988 1.00 . B A . 5 ALA HB1 1 1 3 2180 2 2 5 ALA HB2 H -11.736 -0.249 -6.159 1.00 . B A . 5 ALA HB2 1 1 3 2181 2 2 5 ALA HB3 H -10.544 -1.524 -6.418 1.00 . B A . 5 ALA HB3 1 1 3 2182 2 2 5 ALA N N -11.236 0.141 -3.561 1.00 . B A . 5 ALA N 1 1 3 2183 2 2 5 ALA O O -9.397 -2.716 -3.559 1.00 . B A . 5 ALA O 1 1 3 2184 2 2 6 LEU C C -7.315 -1.588 -1.847 1.00 . B A . 6 LEU C 1 1 3 2185 2 2 6 LEU CA C -7.190 -1.038 -3.255 1.00 . B A . 6 LEU CA 1 1 3 2186 2 2 6 LEU CB C -6.203 0.150 -3.234 1.00 . B A . 6 LEU CB 1 1 3 2187 2 2 6 LEU CD1 C -4.074 -1.201 -3.275 1.00 . B A . 6 LEU CD1 1 1 3 2188 2 2 6 LEU CD2 C -4.017 1.114 -2.357 1.00 . B A . 6 LEU CD2 1 1 3 2189 2 2 6 LEU CG C -4.853 -0.140 -2.537 1.00 . B A . 6 LEU CG 1 1 3 2190 2 2 6 LEU H H -8.664 0.273 -4.070 1.00 . B A . 6 LEU H 1 1 3 2191 2 2 6 LEU HA H -6.794 -1.818 -3.890 1.00 . B A . 6 LEU HA 1 1 3 2192 2 2 6 LEU HB2 H -6.009 0.448 -4.254 1.00 . B A . 6 LEU HB2 1 1 3 2193 2 2 6 LEU HB3 H -6.676 0.973 -2.720 1.00 . B A . 6 LEU HB3 1 1 3 2194 2 2 6 LEU HD11 H -4.644 -2.117 -3.300 1.00 . B A . 6 LEU HD11 1 1 3 2195 2 2 6 LEU HD12 H -3.137 -1.374 -2.767 1.00 . B A . 6 LEU HD12 1 1 3 2196 2 2 6 LEU HD13 H -3.880 -0.871 -4.285 1.00 . B A . 6 LEU HD13 1 1 3 2197 2 2 6 LEU HD21 H -4.565 1.838 -1.772 1.00 . B A . 6 LEU HD21 1 1 3 2198 2 2 6 LEU HD22 H -3.778 1.537 -3.321 1.00 . B A . 6 LEU HD22 1 1 3 2199 2 2 6 LEU HD23 H -3.101 0.863 -1.838 1.00 . B A . 6 LEU HD23 1 1 3 2200 2 2 6 LEU HG H -5.070 -0.544 -1.559 1.00 . B A . 6 LEU HG 1 1 3 2201 2 2 6 LEU N N -8.510 -0.653 -3.777 1.00 . B A . 6 LEU N 1 1 3 2202 2 2 6 LEU O O -6.700 -2.608 -1.515 1.00 . B A . 6 LEU O 1 1 3 2203 2 2 7 ALA C C -8.808 -2.737 0.436 1.00 . B A . 7 ALA C 1 1 3 2204 2 2 7 ALA CA C -8.339 -1.296 0.342 1.00 . B A . 7 ALA CA 1 1 3 2205 2 2 7 ALA CB C -9.332 -0.360 1.007 1.00 . B A . 7 ALA CB 1 1 3 2206 2 2 7 ALA H H -8.567 -0.112 -1.393 1.00 . B A . 7 ALA H 1 1 3 2207 2 2 7 ALA HA H -7.396 -1.212 0.861 1.00 . B A . 7 ALA HA 1 1 3 2208 2 2 7 ALA HB1 H -9.425 -0.617 2.051 1.00 . B A . 7 ALA HB1 1 1 3 2209 2 2 7 ALA HB2 H -10.293 -0.460 0.525 1.00 . B A . 7 ALA HB2 1 1 3 2210 2 2 7 ALA HB3 H -8.987 0.660 0.914 1.00 . B A . 7 ALA HB3 1 1 3 2211 2 2 7 ALA N N -8.116 -0.910 -1.035 1.00 . B A . 7 ALA N 1 1 3 2212 2 2 7 ALA O O -8.183 -3.556 1.101 1.00 . B A . 7 ALA O 1 1 3 2213 2 2 8 ASN C C -9.509 -5.384 -0.928 1.00 . B A . 8 ASN C 1 1 3 2214 2 2 8 ASN CA C -10.448 -4.381 -0.296 1.00 . B A . 8 ASN CA 1 1 3 2215 2 2 8 ASN CB C -11.809 -4.387 -1.017 1.00 . B A . 8 ASN CB 1 1 3 2216 2 2 8 ASN CG C -12.889 -3.589 -0.290 1.00 . B A . 8 ASN CG 1 1 3 2217 2 2 8 ASN H H -10.280 -2.346 -0.839 1.00 . B A . 8 ASN H 1 1 3 2218 2 2 8 ASN HA H -10.603 -4.678 0.731 1.00 . B A . 8 ASN HA 1 1 3 2219 2 2 8 ASN HB2 H -11.684 -3.963 -2.002 1.00 . B A . 8 ASN HB2 1 1 3 2220 2 2 8 ASN HB3 H -12.146 -5.409 -1.116 1.00 . B A . 8 ASN HB3 1 1 3 2221 2 2 8 ASN HD21 H -14.303 -4.701 -1.102 1.00 . B A . 8 ASN HD21 1 1 3 2222 2 2 8 ASN HD22 H -14.829 -3.412 -0.064 1.00 . B A . 8 ASN HD22 1 1 3 2223 2 2 8 ASN N N -9.861 -3.046 -0.288 1.00 . B A . 8 ASN N 1 1 3 2224 2 2 8 ASN ND2 N -14.130 -3.944 -0.502 1.00 . B A . 8 ASN ND2 1 1 3 2225 2 2 8 ASN O O -9.253 -6.440 -0.361 1.00 . B A . 8 ASN O 1 1 3 2226 2 2 8 ASN OD1 O -12.604 -2.645 0.452 1.00 . B A . 8 ASN OD1 1 1 3 2227 2 2 9 LYS C C -6.819 -6.288 -1.990 1.00 . B A . 9 LYS C 1 1 3 2228 2 2 9 LYS CA C -8.051 -5.914 -2.788 1.00 . B A . 9 LYS CA 1 1 3 2229 2 2 9 LYS CB C -7.673 -5.344 -4.156 1.00 . B A . 9 LYS CB 1 1 3 2230 2 2 9 LYS CD C -8.418 -4.782 -6.513 1.00 . B A . 9 LYS CD 1 1 3 2231 2 2 9 LYS CE C -7.316 -5.597 -7.170 1.00 . B A . 9 LYS CE 1 1 3 2232 2 2 9 LYS CG C -8.821 -5.354 -5.158 1.00 . B A . 9 LYS CG 1 1 3 2233 2 2 9 LYS H H -9.144 -4.140 -2.438 1.00 . B A . 9 LYS H 1 1 3 2234 2 2 9 LYS HA H -8.598 -6.832 -2.945 1.00 . B A . 9 LYS HA 1 1 3 2235 2 2 9 LYS HB2 H -7.374 -4.317 -4.008 1.00 . B A . 9 LYS HB2 1 1 3 2236 2 2 9 LYS HB3 H -6.836 -5.884 -4.568 1.00 . B A . 9 LYS HB3 1 1 3 2237 2 2 9 LYS HD2 H -9.280 -4.780 -7.164 1.00 . B A . 9 LYS HD2 1 1 3 2238 2 2 9 LYS HD3 H -8.071 -3.768 -6.374 1.00 . B A . 9 LYS HD3 1 1 3 2239 2 2 9 LYS HE2 H -6.426 -5.513 -6.566 1.00 . B A . 9 LYS HE2 1 1 3 2240 2 2 9 LYS HE3 H -7.621 -6.631 -7.219 1.00 . B A . 9 LYS HE3 1 1 3 2241 2 2 9 LYS HG2 H -9.155 -6.371 -5.300 1.00 . B A . 9 LYS HG2 1 1 3 2242 2 2 9 LYS HG3 H -9.631 -4.765 -4.756 1.00 . B A . 9 LYS HG3 1 1 3 2243 2 2 9 LYS HZ1 H -6.277 -5.701 -8.982 1.00 . B A . 9 LYS HZ1 1 1 3 2244 2 2 9 LYS HZ2 H -6.674 -4.125 -8.505 1.00 . B A . 9 LYS HZ2 1 1 3 2245 2 2 9 LYS HZ3 H -7.858 -5.124 -9.121 1.00 . B A . 9 LYS HZ3 1 1 3 2246 2 2 9 LYS N N -8.946 -5.029 -2.063 1.00 . B A . 9 LYS N 1 1 3 2247 2 2 9 LYS NZ N -7.003 -5.113 -8.530 1.00 . B A . 9 LYS NZ 1 1 3 2248 2 2 9 LYS O O -6.442 -7.439 -1.956 1.00 . B A . 9 LYS O 1 1 3 2249 2 2 10 CYS C C -5.400 -6.347 0.745 1.00 . B A . 10 CYS C 1 1 3 2250 2 2 10 CYS CA C -5.025 -5.637 -0.552 1.00 . B A . 10 CYS CA 1 1 3 2251 2 2 10 CYS CB C -4.263 -4.356 -0.258 1.00 . B A . 10 CYS CB 1 1 3 2252 2 2 10 CYS H H -6.579 -4.427 -1.336 1.00 . B A . 10 CYS H 1 1 3 2253 2 2 10 CYS HA H -4.389 -6.314 -1.113 1.00 . B A . 10 CYS HA 1 1 3 2254 2 2 10 CYS HB2 H -4.215 -3.751 -1.151 1.00 . B A . 10 CYS HB2 1 1 3 2255 2 2 10 CYS HB3 H -4.796 -3.806 0.504 1.00 . B A . 10 CYS HB3 1 1 3 2256 2 2 10 CYS N N -6.225 -5.347 -1.320 1.00 . B A . 10 CYS N 1 1 3 2257 2 2 10 CYS O O -4.607 -7.116 1.310 1.00 . B A . 10 CYS O 1 1 3 2258 2 2 10 CYS SG S -2.570 -4.624 0.339 1.00 . B A . 10 CYS SG 1 1 3 2259 2 2 11 CYS C C -7.347 -8.236 2.116 1.00 . B A . 11 CYS C 1 1 3 2260 2 2 11 CYS CA C -7.123 -6.745 2.384 1.00 . B A . 11 CYS CA 1 1 3 2261 2 2 11 CYS CB C -8.417 -6.043 2.843 1.00 . B A . 11 CYS CB 1 1 3 2262 2 2 11 CYS H H -7.210 -5.498 0.708 1.00 . B A . 11 CYS H 1 1 3 2263 2 2 11 CYS HA H -6.365 -6.631 3.143 1.00 . B A . 11 CYS HA 1 1 3 2264 2 2 11 CYS HB2 H -8.220 -4.981 2.876 1.00 . B A . 11 CYS HB2 1 1 3 2265 2 2 11 CYS HB3 H -9.196 -6.236 2.120 1.00 . B A . 11 CYS HB3 1 1 3 2266 2 2 11 CYS N N -6.623 -6.122 1.188 1.00 . B A . 11 CYS N 1 1 3 2267 2 2 11 CYS O O -7.073 -9.093 2.975 1.00 . B A . 11 CYS O 1 1 3 2268 2 2 11 CYS SG S -9.044 -6.508 4.494 1.00 . B A . 11 CYS SG 1 1 3 2269 2 2 12 HIS C C -6.812 -10.564 -0.129 1.00 . B A . 12 HIS C 1 1 3 2270 2 2 12 HIS CA C -8.024 -9.928 0.535 1.00 . B A . 12 HIS CA 1 1 3 2271 2 2 12 HIS CB C -9.273 -10.067 -0.349 1.00 . B A . 12 HIS CB 1 1 3 2272 2 2 12 HIS CD2 C -11.084 -8.574 0.730 1.00 . B A . 12 HIS CD2 1 1 3 2273 2 2 12 HIS CE1 C -12.459 -10.096 1.390 1.00 . B A . 12 HIS CE1 1 1 3 2274 2 2 12 HIS CG C -10.555 -9.763 0.367 1.00 . B A . 12 HIS CG 1 1 3 2275 2 2 12 HIS H H -7.961 -7.829 0.266 1.00 . B A . 12 HIS H 1 1 3 2276 2 2 12 HIS HA H -8.204 -10.464 1.455 1.00 . B A . 12 HIS HA 1 1 3 2277 2 2 12 HIS HB2 H -9.188 -9.371 -1.170 1.00 . B A . 12 HIS HB2 1 1 3 2278 2 2 12 HIS HB3 H -9.331 -11.072 -0.741 1.00 . B A . 12 HIS HB3 1 1 3 2279 2 2 12 HIS HD1 H -11.372 -11.694 0.687 1.00 . B A . 12 HIS HD1 1 1 3 2280 2 2 12 HIS HD2 H -10.637 -7.610 0.540 1.00 . B A . 12 HIS HD2 1 1 3 2281 2 2 12 HIS HE1 H -13.315 -10.586 1.826 1.00 . B A . 12 HIS HE1 1 1 3 2282 2 2 12 HIS N N -7.783 -8.552 0.910 1.00 . B A . 12 HIS N 1 1 3 2283 2 2 12 HIS ND1 N -11.447 -10.719 0.797 1.00 . B A . 12 HIS ND1 1 1 3 2284 2 2 12 HIS NE2 N -12.289 -8.786 1.380 1.00 . B A . 12 HIS NE2 1 1 3 2285 2 2 12 HIS O O -6.181 -11.439 0.452 1.00 . B A . 12 HIS O 1 1 3 2286 2 2 13 VAL C C -4.026 -10.113 -1.729 1.00 . B A . 13 VAL C 1 1 3 2287 2 2 13 VAL CA C -5.371 -10.744 -2.048 1.00 . B A . 13 VAL CA 1 1 3 2288 2 2 13 VAL CB C -5.607 -10.815 -3.586 1.00 . B A . 13 VAL CB 1 1 3 2289 2 2 13 VAL CG1 C -6.740 -11.773 -3.907 1.00 . B A . 13 VAL CG1 1 1 3 2290 2 2 13 VAL CG2 C -5.903 -9.450 -4.205 1.00 . B A . 13 VAL CG2 1 1 3 2291 2 2 13 VAL H H -6.924 -9.344 -1.704 1.00 . B A . 13 VAL H 1 1 3 2292 2 2 13 VAL HA H -5.318 -11.757 -1.675 1.00 . B A . 13 VAL HA 1 1 3 2293 2 2 13 VAL HB H -4.674 -11.176 -3.989 1.00 . B A . 13 VAL HB 1 1 3 2294 2 2 13 VAL HG11 H -6.489 -12.763 -3.555 1.00 . B A . 13 VAL HG11 1 1 3 2295 2 2 13 VAL HG12 H -6.906 -11.796 -4.973 1.00 . B A . 13 VAL HG12 1 1 3 2296 2 2 13 VAL HG13 H -7.638 -11.433 -3.410 1.00 . B A . 13 VAL HG13 1 1 3 2297 2 2 13 VAL HG21 H -6.076 -9.561 -5.266 1.00 . B A . 13 VAL HG21 1 1 3 2298 2 2 13 VAL HG22 H -5.062 -8.792 -4.043 1.00 . B A . 13 VAL HG22 1 1 3 2299 2 2 13 VAL HG23 H -6.780 -9.026 -3.739 1.00 . B A . 13 VAL HG23 1 1 3 2300 2 2 13 VAL N N -6.468 -10.125 -1.318 1.00 . B A . 13 VAL N 1 1 3 2301 2 2 13 VAL O O -3.046 -10.810 -1.485 1.00 . B A . 13 VAL O 1 1 3 2302 2 2 14 GLY C C -2.518 -7.040 -2.445 1.00 . B A . 14 GLY C 1 1 3 2303 2 2 14 GLY CA C -2.782 -8.108 -1.441 1.00 . B A . 14 GLY CA 1 1 3 2304 2 2 14 GLY H H -4.790 -8.358 -2.059 1.00 . B A . 14 GLY H 1 1 3 2305 2 2 14 GLY HA2 H -2.858 -7.658 -0.464 1.00 . B A . 14 GLY HA2 1 1 3 2306 2 2 14 GLY HA3 H -1.941 -8.775 -1.422 1.00 . B A . 14 GLY HA3 1 1 3 2307 2 2 14 GLY N N -3.983 -8.828 -1.760 1.00 . B A . 14 GLY N 1 1 3 2308 2 2 14 GLY O O -3.240 -6.932 -3.445 1.00 . B A . 14 GLY O 1 1 3 2309 2 2 15 CYS C C 0.278 -4.954 -3.161 1.00 . B A . 15 CYS C 1 1 3 2310 2 2 15 CYS CA C -1.199 -5.164 -3.078 1.00 . B A . 15 CYS CA 1 1 3 2311 2 2 15 CYS CB C -1.862 -3.891 -2.590 1.00 . B A . 15 CYS CB 1 1 3 2312 2 2 15 CYS H H -0.969 -6.387 -1.402 1.00 . B A . 15 CYS H 1 1 3 2313 2 2 15 CYS HA H -1.586 -5.384 -4.061 1.00 . B A . 15 CYS HA 1 1 3 2314 2 2 15 CYS HB2 H -1.530 -3.087 -3.230 1.00 . B A . 15 CYS HB2 1 1 3 2315 2 2 15 CYS HB3 H -2.926 -4.001 -2.700 1.00 . B A . 15 CYS HB3 1 1 3 2316 2 2 15 CYS N N -1.521 -6.254 -2.208 1.00 . B A . 15 CYS N 1 1 3 2317 2 2 15 CYS O O 1.022 -5.273 -2.226 1.00 . B A . 15 CYS O 1 1 3 2318 2 2 15 CYS SG S -1.457 -3.419 -0.857 1.00 . B A . 15 CYS SG 1 1 3 2319 2 2 16 THR C C 2.338 -2.785 -3.826 1.00 . B A . 16 THR C 1 1 3 2320 2 2 16 THR CA C 2.068 -4.117 -4.454 1.00 . B A . 16 THR CA 1 1 3 2321 2 2 16 THR CB C 2.455 -4.104 -5.943 1.00 . B A . 16 THR CB 1 1 3 2322 2 2 16 THR CG2 C 2.525 -5.514 -6.492 1.00 . B A . 16 THR CG2 1 1 3 2323 2 2 16 THR H H 0.076 -4.201 -4.971 1.00 . B A . 16 THR H 1 1 3 2324 2 2 16 THR HA H 2.656 -4.863 -3.945 1.00 . B A . 16 THR HA 1 1 3 2325 2 2 16 THR HB H 3.427 -3.642 -6.034 1.00 . B A . 16 THR HB 1 1 3 2326 2 2 16 THR HG1 H 0.861 -3.929 -7.079 1.00 . B A . 16 THR HG1 1 1 3 2327 2 2 16 THR HG21 H 1.566 -5.995 -6.367 1.00 . B A . 16 THR HG21 1 1 3 2328 2 2 16 THR HG22 H 3.279 -6.072 -5.957 1.00 . B A . 16 THR HG22 1 1 3 2329 2 2 16 THR HG23 H 2.780 -5.479 -7.541 1.00 . B A . 16 THR HG23 1 1 3 2330 2 2 16 THR N N 0.708 -4.431 -4.263 1.00 . B A . 16 THR N 1 1 3 2331 2 2 16 THR O O 1.443 -1.959 -3.712 1.00 . B A . 16 THR O 1 1 3 2332 2 2 16 THR OG1 O 1.510 -3.331 -6.689 1.00 . B A . 16 THR OG1 1 1 3 2333 2 2 17 LYS C C 3.710 -0.122 -3.622 1.00 . B A . 17 LYS C 1 1 3 2334 2 2 17 LYS CA C 3.921 -1.357 -2.728 1.00 . B A . 17 LYS CA 1 1 3 2335 2 2 17 LYS CB C 5.346 -1.514 -2.214 1.00 . B A . 17 LYS CB 1 1 3 2336 2 2 17 LYS CD C 4.774 -1.433 0.211 1.00 . B A . 17 LYS CD 1 1 3 2337 2 2 17 LYS CE C 5.127 -0.851 1.565 1.00 . B A . 17 LYS CE 1 1 3 2338 2 2 17 LYS CG C 5.640 -0.855 -0.898 1.00 . B A . 17 LYS CG 1 1 3 2339 2 2 17 LYS H H 4.173 -3.304 -3.603 1.00 . B A . 17 LYS H 1 1 3 2340 2 2 17 LYS HA H 3.245 -1.206 -1.897 1.00 . B A . 17 LYS HA 1 1 3 2341 2 2 17 LYS HB2 H 5.442 -2.569 -2.032 1.00 . B A . 17 LYS HB2 1 1 3 2342 2 2 17 LYS HB3 H 6.103 -1.219 -2.926 1.00 . B A . 17 LYS HB3 1 1 3 2343 2 2 17 LYS HD2 H 3.736 -1.215 0.016 1.00 . B A . 17 LYS HD2 1 1 3 2344 2 2 17 LYS HD3 H 4.917 -2.502 0.246 1.00 . B A . 17 LYS HD3 1 1 3 2345 2 2 17 LYS HE2 H 4.998 0.220 1.531 1.00 . B A . 17 LYS HE2 1 1 3 2346 2 2 17 LYS HE3 H 4.458 -1.269 2.303 1.00 . B A . 17 LYS HE3 1 1 3 2347 2 2 17 LYS HG2 H 6.669 -1.099 -0.674 1.00 . B A . 17 LYS HG2 1 1 3 2348 2 2 17 LYS HG3 H 5.495 0.212 -0.969 1.00 . B A . 17 LYS HG3 1 1 3 2349 2 2 17 LYS HZ1 H 6.685 -0.896 2.948 1.00 . B A . 17 LYS HZ1 1 1 3 2350 2 2 17 LYS HZ2 H 7.202 -0.648 1.350 1.00 . B A . 17 LYS HZ2 1 1 3 2351 2 2 17 LYS HZ3 H 6.698 -2.170 1.820 1.00 . B A . 17 LYS HZ3 1 1 3 2352 2 2 17 LYS N N 3.537 -2.575 -3.430 1.00 . B A . 17 LYS N 1 1 3 2353 2 2 17 LYS NZ N 6.521 -1.147 1.952 1.00 . B A . 17 LYS NZ 1 1 3 2354 2 2 17 LYS O O 3.315 0.932 -3.141 1.00 . B A . 17 LYS O 1 1 3 2355 2 2 18 ARG C C 2.083 1.056 -5.952 1.00 . B A . 18 ARG C 1 1 3 2356 2 2 18 ARG CA C 3.578 0.760 -5.911 1.00 . B A . 18 ARG CA 1 1 3 2357 2 2 18 ARG CB C 4.017 0.360 -7.307 1.00 . B A . 18 ARG CB 1 1 3 2358 2 2 18 ARG CD C 5.810 0.074 -8.983 1.00 . B A . 18 ARG CD 1 1 3 2359 2 2 18 ARG CG C 5.474 0.577 -7.601 1.00 . B A . 18 ARG CG 1 1 3 2360 2 2 18 ARG CZ C 5.468 -2.088 -10.189 1.00 . B A . 18 ARG CZ 1 1 3 2361 2 2 18 ARG H H 4.276 -1.142 -5.237 1.00 . B A . 18 ARG H 1 1 3 2362 2 2 18 ARG HA H 4.108 1.655 -5.623 1.00 . B A . 18 ARG HA 1 1 3 2363 2 2 18 ARG HB2 H 3.807 -0.691 -7.441 1.00 . B A . 18 ARG HB2 1 1 3 2364 2 2 18 ARG HB3 H 3.435 0.920 -8.022 1.00 . B A . 18 ARG HB3 1 1 3 2365 2 2 18 ARG HD2 H 5.109 0.502 -9.685 1.00 . B A . 18 ARG HD2 1 1 3 2366 2 2 18 ARG HD3 H 6.811 0.387 -9.239 1.00 . B A . 18 ARG HD3 1 1 3 2367 2 2 18 ARG HE H 5.941 -1.879 -8.243 1.00 . B A . 18 ARG HE 1 1 3 2368 2 2 18 ARG HG2 H 5.696 1.633 -7.541 1.00 . B A . 18 ARG HG2 1 1 3 2369 2 2 18 ARG HG3 H 6.066 0.038 -6.876 1.00 . B A . 18 ARG HG3 1 1 3 2370 2 2 18 ARG HH11 H 5.064 -0.449 -11.363 1.00 . B A . 18 ARG HH11 1 1 3 2371 2 2 18 ARG HH12 H 4.952 -1.940 -12.170 1.00 . B A . 18 ARG HH12 1 1 3 2372 2 2 18 ARG HH21 H 5.817 -3.929 -9.351 1.00 . B A . 18 ARG HH21 1 1 3 2373 2 2 18 ARG HH22 H 5.344 -3.981 -10.980 1.00 . B A . 18 ARG HH22 1 1 3 2374 2 2 18 ARG N N 3.894 -0.294 -4.929 1.00 . B A . 18 ARG N 1 1 3 2375 2 2 18 ARG NE N 5.730 -1.396 -9.073 1.00 . B A . 18 ARG NE 1 1 3 2376 2 2 18 ARG NH1 N 5.134 -1.451 -11.312 1.00 . B A . 18 ARG NH1 1 1 3 2377 2 2 18 ARG NH2 N 5.550 -3.417 -10.174 1.00 . B A . 18 ARG NH2 1 1 3 2378 2 2 18 ARG O O 1.669 2.172 -6.261 1.00 . B A . 18 ARG O 1 1 3 2379 2 2 19 SER C C -0.601 1.050 -4.499 1.00 . B A . 19 SER C 1 1 3 2380 2 2 19 SER CA C -0.129 0.169 -5.651 1.00 . B A . 19 SER CA 1 1 3 2381 2 2 19 SER CB C -0.743 -1.248 -5.603 1.00 . B A . 19 SER CB 1 1 3 2382 2 2 19 SER H H 1.689 -0.754 -5.256 1.00 . B A . 19 SER H 1 1 3 2383 2 2 19 SER HA H -0.397 0.641 -6.583 1.00 . B A . 19 SER HA 1 1 3 2384 2 2 19 SER HB2 H -0.318 -1.831 -6.405 1.00 . B A . 19 SER HB2 1 1 3 2385 2 2 19 SER HB3 H -0.477 -1.715 -4.665 1.00 . B A . 19 SER HB3 1 1 3 2386 2 2 19 SER HG H -2.369 -0.779 -6.559 1.00 . B A . 19 SER HG 1 1 3 2387 2 2 19 SER N N 1.297 0.073 -5.604 1.00 . B A . 19 SER N 1 1 3 2388 2 2 19 SER O O -1.411 1.939 -4.692 1.00 . B A . 19 SER O 1 1 3 2389 2 2 19 SER OG O -2.146 -1.252 -5.746 1.00 . B A . 19 SER OG 1 1 3 2390 2 2 20 LEU C C 0.144 3.104 -2.427 1.00 . B A . 20 LEU C 1 1 3 2391 2 2 20 LEU CA C -0.418 1.728 -2.191 1.00 . B A . 20 LEU CA 1 1 3 2392 2 2 20 LEU CB C 0.036 1.257 -0.790 1.00 . B A . 20 LEU CB 1 1 3 2393 2 2 20 LEU CD1 C 0.935 -1.064 -0.892 1.00 . B A . 20 LEU CD1 1 1 3 2394 2 2 20 LEU CD2 C -0.166 -0.278 1.152 1.00 . B A . 20 LEU CD2 1 1 3 2395 2 2 20 LEU CG C -0.155 -0.193 -0.353 1.00 . B A . 20 LEU CG 1 1 3 2396 2 2 20 LEU H H 0.617 0.135 -3.199 1.00 . B A . 20 LEU H 1 1 3 2397 2 2 20 LEU HA H -1.484 1.868 -2.207 1.00 . B A . 20 LEU HA 1 1 3 2398 2 2 20 LEU HB2 H 1.057 1.543 -0.624 1.00 . B A . 20 LEU HB2 1 1 3 2399 2 2 20 LEU HB3 H -0.532 1.849 -0.095 1.00 . B A . 20 LEU HB3 1 1 3 2400 2 2 20 LEU HD11 H 1.877 -0.685 -0.525 1.00 . B A . 20 LEU HD11 1 1 3 2401 2 2 20 LEU HD12 H 0.923 -1.053 -1.971 1.00 . B A . 20 LEU HD12 1 1 3 2402 2 2 20 LEU HD13 H 0.799 -2.075 -0.538 1.00 . B A . 20 LEU HD13 1 1 3 2403 2 2 20 LEU HD21 H -0.266 -1.313 1.446 1.00 . B A . 20 LEU HD21 1 1 3 2404 2 2 20 LEU HD22 H -0.992 0.293 1.547 1.00 . B A . 20 LEU HD22 1 1 3 2405 2 2 20 LEU HD23 H 0.765 0.113 1.534 1.00 . B A . 20 LEU HD23 1 1 3 2406 2 2 20 LEU HG H -1.104 -0.564 -0.712 1.00 . B A . 20 LEU HG 1 1 3 2407 2 2 20 LEU N N -0.034 0.861 -3.308 1.00 . B A . 20 LEU N 1 1 3 2408 2 2 20 LEU O O -0.505 4.106 -2.143 1.00 . B A . 20 LEU O 1 1 3 2409 2 2 21 ALA C C 1.305 5.297 -4.220 1.00 . B A . 21 ALA C 1 1 3 2410 2 2 21 ALA CA C 2.056 4.368 -3.276 1.00 . B A . 21 ALA CA 1 1 3 2411 2 2 21 ALA CB C 3.422 4.056 -3.852 1.00 . B A . 21 ALA CB 1 1 3 2412 2 2 21 ALA H H 1.704 2.254 -3.247 1.00 . B A . 21 ALA H 1 1 3 2413 2 2 21 ALA HA H 2.202 4.875 -2.333 1.00 . B A . 21 ALA HA 1 1 3 2414 2 2 21 ALA HB1 H 3.299 3.643 -4.841 1.00 . B A . 21 ALA HB1 1 1 3 2415 2 2 21 ALA HB2 H 3.910 3.317 -3.235 1.00 . B A . 21 ALA HB2 1 1 3 2416 2 2 21 ALA HB3 H 4.020 4.953 -3.902 1.00 . B A . 21 ALA HB3 1 1 3 2417 2 2 21 ALA N N 1.321 3.128 -3.007 1.00 . B A . 21 ALA N 1 1 3 2418 2 2 21 ALA O O 1.381 6.519 -4.095 1.00 . B A . 21 ALA O 1 1 3 2419 2 2 22 ARG C C -1.493 5.989 -5.646 1.00 . B A . 22 ARG C 1 1 3 2420 2 2 22 ARG CA C -0.133 5.514 -6.146 1.00 . B A . 22 ARG CA 1 1 3 2421 2 2 22 ARG CB C -0.260 4.757 -7.470 1.00 . B A . 22 ARG CB 1 1 3 2422 2 2 22 ARG CD C -1.018 2.722 -8.700 1.00 . B A . 22 ARG CD 1 1 3 2423 2 2 22 ARG CG C -1.110 3.509 -7.412 1.00 . B A . 22 ARG CG 1 1 3 2424 2 2 22 ARG CZ C -1.527 3.027 -11.107 1.00 . B A . 22 ARG CZ 1 1 3 2425 2 2 22 ARG H H 0.521 3.741 -5.178 1.00 . B A . 22 ARG H 1 1 3 2426 2 2 22 ARG HA H 0.472 6.393 -6.316 1.00 . B A . 22 ARG HA 1 1 3 2427 2 2 22 ARG HB2 H -0.710 5.422 -8.190 1.00 . B A . 22 ARG HB2 1 1 3 2428 2 2 22 ARG HB3 H 0.726 4.485 -7.817 1.00 . B A . 22 ARG HB3 1 1 3 2429 2 2 22 ARG HD2 H 0.000 2.387 -8.831 1.00 . B A . 22 ARG HD2 1 1 3 2430 2 2 22 ARG HD3 H -1.671 1.866 -8.626 1.00 . B A . 22 ARG HD3 1 1 3 2431 2 2 22 ARG HE H -1.581 4.469 -9.709 1.00 . B A . 22 ARG HE 1 1 3 2432 2 2 22 ARG HG2 H -0.769 2.891 -6.595 1.00 . B A . 22 ARG HG2 1 1 3 2433 2 2 22 ARG HG3 H -2.138 3.794 -7.243 1.00 . B A . 22 ARG HG3 1 1 3 2434 2 2 22 ARG HH11 H -0.994 1.111 -10.617 1.00 . B A . 22 ARG HH11 1 1 3 2435 2 2 22 ARG HH12 H -1.364 1.339 -12.259 1.00 . B A . 22 ARG HH12 1 1 3 2436 2 2 22 ARG HH21 H -2.081 4.802 -11.959 1.00 . B A . 22 ARG HH21 1 1 3 2437 2 2 22 ARG HH22 H -1.985 3.495 -13.044 1.00 . B A . 22 ARG HH22 1 1 3 2438 2 2 22 ARG N N 0.571 4.721 -5.152 1.00 . B A . 22 ARG N 1 1 3 2439 2 2 22 ARG NE N -1.408 3.513 -9.873 1.00 . B A . 22 ARG NE 1 1 3 2440 2 2 22 ARG NH1 N -1.277 1.741 -11.345 1.00 . B A . 22 ARG NH1 1 1 3 2441 2 2 22 ARG NH2 N -1.889 3.827 -12.103 1.00 . B A . 22 ARG NH2 1 1 3 2442 2 2 22 ARG O O -2.154 6.779 -6.303 1.00 . B A . 22 ARG O 1 1 3 2443 2 2 23 PHE C C -2.901 6.815 -2.735 1.00 . B A . 23 PHE C 1 1 3 2444 2 2 23 PHE CA C -3.166 5.934 -3.916 1.00 . B A . 23 PHE CA 1 1 3 2445 2 2 23 PHE CB C -4.080 4.765 -3.542 1.00 . B A . 23 PHE CB 1 1 3 2446 2 2 23 PHE CD1 C -4.122 3.051 -5.380 1.00 . B A . 23 PHE CD1 1 1 3 2447 2 2 23 PHE CD2 C -5.967 4.525 -5.161 1.00 . B A . 23 PHE CD2 1 1 3 2448 2 2 23 PHE CE1 C -4.727 2.441 -6.458 1.00 . B A . 23 PHE CE1 1 1 3 2449 2 2 23 PHE CE2 C -6.577 3.923 -6.235 1.00 . B A . 23 PHE CE2 1 1 3 2450 2 2 23 PHE CG C -4.734 4.098 -4.721 1.00 . B A . 23 PHE CG 1 1 3 2451 2 2 23 PHE CZ C -5.958 2.877 -6.886 1.00 . B A . 23 PHE CZ 1 1 3 2452 2 2 23 PHE H H -1.355 4.825 -4.051 1.00 . B A . 23 PHE H 1 1 3 2453 2 2 23 PHE HA H -3.658 6.543 -4.654 1.00 . B A . 23 PHE HA 1 1 3 2454 2 2 23 PHE HB2 H -3.500 4.019 -3.019 1.00 . B A . 23 PHE HB2 1 1 3 2455 2 2 23 PHE HB3 H -4.857 5.129 -2.887 1.00 . B A . 23 PHE HB3 1 1 3 2456 2 2 23 PHE HD1 H -3.155 2.709 -5.045 1.00 . B A . 23 PHE HD1 1 1 3 2457 2 2 23 PHE HD2 H -6.456 5.343 -4.654 1.00 . B A . 23 PHE HD2 1 1 3 2458 2 2 23 PHE HE1 H -4.234 1.624 -6.962 1.00 . B A . 23 PHE HE1 1 1 3 2459 2 2 23 PHE HE2 H -7.544 4.271 -6.567 1.00 . B A . 23 PHE HE2 1 1 3 2460 2 2 23 PHE HZ H -6.437 2.404 -7.731 1.00 . B A . 23 PHE HZ 1 1 3 2461 2 2 23 PHE N N -1.914 5.492 -4.506 1.00 . B A . 23 PHE N 1 1 3 2462 2 2 23 PHE O O -3.328 7.974 -2.702 1.00 . B A . 23 PHE O 1 1 3 2463 2 2 24 CYS C C -2.938 7.314 0.334 1.00 . B A . 24 CYS C 1 1 3 2464 2 2 24 CYS CA C -1.741 6.924 -0.564 1.00 . B A . 24 CYS CA 1 1 3 2465 2 2 24 CYS CB C -0.839 8.133 -0.877 1.00 . B A . 24 CYS CB 1 1 3 2466 2 2 24 CYS H H -1.875 5.340 -1.958 1.00 . B A . 24 CYS H 1 1 3 2467 2 2 24 CYS HA H -1.160 6.193 -0.021 1.00 . B A . 24 CYS HA 1 1 3 2468 2 2 24 CYS HB2 H -0.150 7.859 -1.661 1.00 . B A . 24 CYS HB2 1 1 3 2469 2 2 24 CYS HB3 H -1.453 8.951 -1.223 1.00 . B A . 24 CYS HB3 1 1 3 2470 2 2 24 CYS N N -2.172 6.264 -1.798 1.00 . B A . 24 CYS N 1 1 3 2471 2 2 24 CYS O O -3.310 6.573 1.242 1.00 . B A . 24 CYS O 1 1 3 2472 2 2 24 CYS SG S 0.151 8.732 0.529 1.00 . B A . 24 CYS SG 1 1 3 2473 2 2 25 NH2 HN1 H -3.201 9.015 -0.643 1.00 . B A . 25 NH2 HN1 1 1 3 2474 2 2 25 NH2 HN2 H -4.289 8.723 0.662 1.00 . B A . 25 NH2 HN2 1 1 3 2475 2 2 25 NH2 N N -3.535 8.462 0.095 1.00 . B A . 25 NH2 N 1 1 4 2476 1 1 1 ASP C C 12.608 1.780 -4.556 1.00 . A B . 1 ASP C 1 1 4 2477 1 1 1 ASP CA C 12.324 3.203 -5.002 1.00 . A B . 1 ASP CA 1 1 4 2478 1 1 1 ASP CB C 13.332 3.615 -6.073 1.00 . A B . 1 ASP CB 1 1 4 2479 1 1 1 ASP CG C 14.736 3.561 -5.546 1.00 . A B . 1 ASP CG 1 1 4 2480 1 1 1 ASP H1 H 11.767 3.893 -3.064 1.00 . A B . 1 ASP H1 1 1 4 2481 1 1 1 ASP H2 H 11.981 5.044 -4.228 1.00 . A B . 1 ASP H2 1 1 4 2482 1 1 1 ASP H3 H 13.351 4.330 -3.589 1.00 . A B . 1 ASP H3 1 1 4 2483 1 1 1 ASP HA H 11.334 3.217 -5.422 1.00 . A B . 1 ASP HA 1 1 4 2484 1 1 1 ASP HB2 H 13.256 2.935 -6.907 1.00 . A B . 1 ASP HB2 1 1 4 2485 1 1 1 ASP HB3 H 13.122 4.623 -6.401 1.00 . A B . 1 ASP HB3 1 1 4 2486 1 1 1 ASP N N 12.368 4.143 -3.873 1.00 . A B . 1 ASP N 1 1 4 2487 1 1 1 ASP O O 11.954 0.880 -4.988 1.00 . A B . 1 ASP O 1 1 4 2488 1 1 1 ASP OD1 O 15.013 4.242 -4.539 1.00 . A B . 1 ASP OD1 1 1 4 2489 1 1 1 ASP OD2 O 15.555 2.818 -6.082 1.00 . A B . 1 ASP OD2 1 1 4 2490 1 1 2 SER C C 12.795 -0.538 -2.529 1.00 . A B . 2 SER C 1 1 4 2491 1 1 2 SER CA C 13.946 0.238 -3.187 1.00 . A B . 2 SER CA 1 1 4 2492 1 1 2 SER CB C 15.126 0.386 -2.245 1.00 . A B . 2 SER CB 1 1 4 2493 1 1 2 SER H H 14.064 2.354 -3.330 1.00 . A B . 2 SER H 1 1 4 2494 1 1 2 SER HA H 14.251 -0.317 -4.051 1.00 . A B . 2 SER HA 1 1 4 2495 1 1 2 SER HB2 H 14.792 0.816 -1.313 1.00 . A B . 2 SER HB2 1 1 4 2496 1 1 2 SER HB3 H 15.578 -0.578 -2.066 1.00 . A B . 2 SER HB3 1 1 4 2497 1 1 2 SER HG H 16.506 0.745 -3.552 1.00 . A B . 2 SER HG 1 1 4 2498 1 1 2 SER N N 13.544 1.589 -3.653 1.00 . A B . 2 SER N 1 1 4 2499 1 1 2 SER O O 12.778 -1.763 -2.470 1.00 . A B . 2 SER O 1 1 4 2500 1 1 2 SER OG O 16.094 1.247 -2.836 1.00 . A B . 2 SER OG 1 1 4 2501 1 1 3 TRP C C 9.507 -0.509 -2.368 1.00 . A B . 3 TRP C 1 1 4 2502 1 1 3 TRP CA C 10.683 -0.261 -1.415 1.00 . A B . 3 TRP CA 1 1 4 2503 1 1 3 TRP CB C 10.285 0.737 -0.301 1.00 . A B . 3 TRP CB 1 1 4 2504 1 1 3 TRP CD1 C 11.128 3.172 -0.475 1.00 . A B . 3 TRP CD1 1 1 4 2505 1 1 3 TRP CD2 C 9.198 2.812 -1.558 1.00 . A B . 3 TRP CD2 1 1 4 2506 1 1 3 TRP CE2 C 9.561 4.155 -1.720 1.00 . A B . 3 TRP CE2 1 1 4 2507 1 1 3 TRP CE3 C 8.018 2.365 -2.153 1.00 . A B . 3 TRP CE3 1 1 4 2508 1 1 3 TRP CG C 10.218 2.188 -0.749 1.00 . A B . 3 TRP CG 1 1 4 2509 1 1 3 TRP CH2 C 7.652 4.582 -3.026 1.00 . A B . 3 TRP CH2 1 1 4 2510 1 1 3 TRP CZ2 C 8.795 5.052 -2.452 1.00 . A B . 3 TRP CZ2 1 1 4 2511 1 1 3 TRP CZ3 C 7.262 3.248 -2.881 1.00 . A B . 3 TRP CZ3 1 1 4 2512 1 1 3 TRP H H 11.994 1.142 -2.334 1.00 . A B . 3 TRP H 1 1 4 2513 1 1 3 TRP HA H 10.939 -1.197 -0.942 1.00 . A B . 3 TRP HA 1 1 4 2514 1 1 3 TRP HB2 H 9.310 0.467 0.079 1.00 . A B . 3 TRP HB2 1 1 4 2515 1 1 3 TRP HB3 H 11.004 0.669 0.503 1.00 . A B . 3 TRP HB3 1 1 4 2516 1 1 3 TRP HD1 H 12.027 3.051 0.113 1.00 . A B . 3 TRP HD1 1 1 4 2517 1 1 3 TRP HE1 H 11.206 5.216 -1.011 1.00 . A B . 3 TRP HE1 1 1 4 2518 1 1 3 TRP HE3 H 7.701 1.337 -2.049 1.00 . A B . 3 TRP HE3 1 1 4 2519 1 1 3 TRP HH2 H 7.027 5.244 -3.607 1.00 . A B . 3 TRP HH2 1 1 4 2520 1 1 3 TRP HZ2 H 9.089 6.083 -2.566 1.00 . A B . 3 TRP HZ2 1 1 4 2521 1 1 3 TRP HZ3 H 6.353 2.902 -3.350 1.00 . A B . 3 TRP HZ3 1 1 4 2522 1 1 3 TRP N N 11.860 0.207 -2.101 1.00 . A B . 3 TRP N 1 1 4 2523 1 1 3 TRP NE1 N 10.739 4.347 -1.060 1.00 . A B . 3 TRP NE1 1 1 4 2524 1 1 3 TRP O O 8.489 -1.050 -1.958 1.00 . A B . 3 TRP O 1 1 4 2525 1 1 4 MET C C 8.099 -1.471 -5.008 1.00 . A B . 4 MET C 1 1 4 2526 1 1 4 MET CA C 8.489 -0.090 -4.542 1.00 . A B . 4 MET CA 1 1 4 2527 1 1 4 MET CB C 8.672 0.867 -5.742 1.00 . A B . 4 MET CB 1 1 4 2528 1 1 4 MET CE C 10.984 0.727 -9.213 1.00 . A B . 4 MET CE 1 1 4 2529 1 1 4 MET CG C 9.639 0.400 -6.826 1.00 . A B . 4 MET CG 1 1 4 2530 1 1 4 MET H H 10.533 0.154 -3.969 1.00 . A B . 4 MET H 1 1 4 2531 1 1 4 MET HA H 7.662 0.274 -3.951 1.00 . A B . 4 MET HA 1 1 4 2532 1 1 4 MET HB2 H 7.706 1.021 -6.199 1.00 . A B . 4 MET HB2 1 1 4 2533 1 1 4 MET HB3 H 9.021 1.818 -5.364 1.00 . A B . 4 MET HB3 1 1 4 2534 1 1 4 MET HE1 H 10.588 -0.234 -9.505 1.00 . A B . 4 MET HE1 1 1 4 2535 1 1 4 MET HE2 H 11.899 0.584 -8.657 1.00 . A B . 4 MET HE2 1 1 4 2536 1 1 4 MET HE3 H 11.187 1.316 -10.095 1.00 . A B . 4 MET HE3 1 1 4 2537 1 1 4 MET HG2 H 10.613 0.270 -6.380 1.00 . A B . 4 MET HG2 1 1 4 2538 1 1 4 MET HG3 H 9.292 -0.544 -7.219 1.00 . A B . 4 MET HG3 1 1 4 2539 1 1 4 MET N N 9.646 -0.101 -3.636 1.00 . A B . 4 MET N 1 1 4 2540 1 1 4 MET O O 6.922 -1.748 -5.213 1.00 . A B . 4 MET O 1 1 4 2541 1 1 4 MET SD S 9.786 1.579 -8.183 1.00 . A B . 4 MET SD 1 1 4 2542 1 1 5 GLU C C 8.552 -4.445 -4.287 1.00 . A B . 5 GLU C 1 1 4 2543 1 1 5 GLU CA C 8.792 -3.686 -5.572 1.00 . A B . 5 GLU CA 1 1 4 2544 1 1 5 GLU CB C 9.991 -4.269 -6.366 1.00 . A B . 5 GLU CB 1 1 4 2545 1 1 5 GLU CD C 9.230 -6.722 -6.448 1.00 . A B . 5 GLU CD 1 1 4 2546 1 1 5 GLU CG C 9.725 -5.526 -7.219 1.00 . A B . 5 GLU CG 1 1 4 2547 1 1 5 GLU H H 9.986 -2.045 -4.987 1.00 . A B . 5 GLU H 1 1 4 2548 1 1 5 GLU HA H 7.893 -3.699 -6.170 1.00 . A B . 5 GLU HA 1 1 4 2549 1 1 5 GLU HB2 H 10.354 -3.506 -7.038 1.00 . A B . 5 GLU HB2 1 1 4 2550 1 1 5 GLU HB3 H 10.775 -4.505 -5.662 1.00 . A B . 5 GLU HB3 1 1 4 2551 1 1 5 GLU HG2 H 8.982 -5.289 -7.964 1.00 . A B . 5 GLU HG2 1 1 4 2552 1 1 5 GLU HG3 H 10.643 -5.794 -7.721 1.00 . A B . 5 GLU HG3 1 1 4 2553 1 1 5 GLU N N 9.064 -2.329 -5.172 1.00 . A B . 5 GLU N 1 1 4 2554 1 1 5 GLU O O 9.490 -4.711 -3.531 1.00 . A B . 5 GLU O 1 1 4 2555 1 1 5 GLU OE1 O 10.013 -7.324 -5.673 1.00 . A B . 5 GLU OE1 1 1 4 2556 1 1 5 GLU OE2 O 8.054 -7.090 -6.613 1.00 . A B . 5 GLU OE2 1 1 4 2557 1 1 6 GLU C C 5.425 -5.634 -2.914 1.00 . A B . 6 GLU C 1 1 4 2558 1 1 6 GLU CA C 6.899 -5.362 -2.807 1.00 . A B . 6 GLU CA 1 1 4 2559 1 1 6 GLU CB C 7.152 -4.468 -1.599 1.00 . A B . 6 GLU CB 1 1 4 2560 1 1 6 GLU CD C 7.597 -4.287 0.846 1.00 . A B . 6 GLU CD 1 1 4 2561 1 1 6 GLU CG C 7.139 -5.175 -0.267 1.00 . A B . 6 GLU CG 1 1 4 2562 1 1 6 GLU H H 6.592 -4.413 -4.620 1.00 . A B . 6 GLU H 1 1 4 2563 1 1 6 GLU HA H 7.449 -6.283 -2.698 1.00 . A B . 6 GLU HA 1 1 4 2564 1 1 6 GLU HB2 H 8.041 -3.869 -1.713 1.00 . A B . 6 GLU HB2 1 1 4 2565 1 1 6 GLU HB3 H 6.299 -3.815 -1.597 1.00 . A B . 6 GLU HB3 1 1 4 2566 1 1 6 GLU HG2 H 6.135 -5.510 -0.054 1.00 . A B . 6 GLU HG2 1 1 4 2567 1 1 6 GLU HG3 H 7.800 -6.026 -0.325 1.00 . A B . 6 GLU HG3 1 1 4 2568 1 1 6 GLU N N 7.300 -4.689 -4.002 1.00 . A B . 6 GLU N 1 1 4 2569 1 1 6 GLU O O 4.709 -4.930 -3.652 1.00 . A B . 6 GLU O 1 1 4 2570 1 1 6 GLU OE1 O 8.825 -4.229 1.098 1.00 . A B . 6 GLU OE1 1 1 4 2571 1 1 6 GLU OE2 O 6.765 -3.633 1.495 1.00 . A B . 6 GLU OE2 1 1 4 2572 1 1 7 VAL C C 3.281 -7.370 -0.715 1.00 . A B . 7 VAL C 1 1 4 2573 1 1 7 VAL CA C 3.606 -6.988 -2.143 1.00 . A B . 7 VAL CA 1 1 4 2574 1 1 7 VAL CB C 3.245 -8.149 -3.145 1.00 . A B . 7 VAL CB 1 1 4 2575 1 1 7 VAL CG1 C 4.046 -9.423 -2.879 1.00 . A B . 7 VAL CG1 1 1 4 2576 1 1 7 VAL CG2 C 1.745 -8.441 -3.129 1.00 . A B . 7 VAL CG2 1 1 4 2577 1 1 7 VAL H H 5.642 -7.070 -1.638 1.00 . A B . 7 VAL H 1 1 4 2578 1 1 7 VAL HA H 3.026 -6.109 -2.389 1.00 . A B . 7 VAL HA 1 1 4 2579 1 1 7 VAL HB H 3.506 -7.808 -4.136 1.00 . A B . 7 VAL HB 1 1 4 2580 1 1 7 VAL HG11 H 3.834 -9.777 -1.881 1.00 . A B . 7 VAL HG11 1 1 4 2581 1 1 7 VAL HG12 H 5.102 -9.211 -2.965 1.00 . A B . 7 VAL HG12 1 1 4 2582 1 1 7 VAL HG13 H 3.769 -10.180 -3.597 1.00 . A B . 7 VAL HG13 1 1 4 2583 1 1 7 VAL HG21 H 1.200 -7.552 -3.413 1.00 . A B . 7 VAL HG21 1 1 4 2584 1 1 7 VAL HG22 H 1.441 -8.741 -2.137 1.00 . A B . 7 VAL HG22 1 1 4 2585 1 1 7 VAL HG23 H 1.521 -9.232 -3.828 1.00 . A B . 7 VAL HG23 1 1 4 2586 1 1 7 VAL N N 4.987 -6.604 -2.198 1.00 . A B . 7 VAL N 1 1 4 2587 1 1 7 VAL O O 4.013 -8.147 -0.080 1.00 . A B . 7 VAL O 1 1 4 2588 1 1 8 ILE C C 0.412 -7.439 1.213 1.00 . A B . 8 ILE C 1 1 4 2589 1 1 8 ILE CA C 1.862 -7.045 1.173 1.00 . A B . 8 ILE CA 1 1 4 2590 1 1 8 ILE CB C 2.079 -5.794 2.068 1.00 . A B . 8 ILE CB 1 1 4 2591 1 1 8 ILE CD1 C 1.385 -3.338 2.364 1.00 . A B . 8 ILE CD1 1 1 4 2592 1 1 8 ILE CG1 C 1.209 -4.625 1.583 1.00 . A B . 8 ILE CG1 1 1 4 2593 1 1 8 ILE CG2 C 3.552 -5.404 2.095 1.00 . A B . 8 ILE CG2 1 1 4 2594 1 1 8 ILE H H 1.688 -6.209 -0.744 1.00 . A B . 8 ILE H 1 1 4 2595 1 1 8 ILE HA H 2.465 -7.855 1.555 1.00 . A B . 8 ILE HA 1 1 4 2596 1 1 8 ILE HB H 1.787 -6.055 3.075 1.00 . A B . 8 ILE HB 1 1 4 2597 1 1 8 ILE HD11 H 0.735 -2.577 1.959 1.00 . A B . 8 ILE HD11 1 1 4 2598 1 1 8 ILE HD12 H 2.412 -3.012 2.292 1.00 . A B . 8 ILE HD12 1 1 4 2599 1 1 8 ILE HD13 H 1.136 -3.515 3.398 1.00 . A B . 8 ILE HD13 1 1 4 2600 1 1 8 ILE HG12 H 1.440 -4.443 0.546 1.00 . A B . 8 ILE HG12 1 1 4 2601 1 1 8 ILE HG13 H 0.172 -4.921 1.651 1.00 . A B . 8 ILE HG13 1 1 4 2602 1 1 8 ILE HG21 H 3.882 -5.188 1.089 1.00 . A B . 8 ILE HG21 1 1 4 2603 1 1 8 ILE HG22 H 4.137 -6.217 2.500 1.00 . A B . 8 ILE HG22 1 1 4 2604 1 1 8 ILE HG23 H 3.672 -4.524 2.709 1.00 . A B . 8 ILE HG23 1 1 4 2605 1 1 8 ILE N N 2.249 -6.801 -0.191 1.00 . A B . 8 ILE N 1 1 4 2606 1 1 8 ILE O O -0.276 -7.373 0.197 1.00 . A B . 8 ILE O 1 1 4 2607 1 1 9 LYS C C -1.894 -7.581 3.843 1.00 . A B . 9 LYS C 1 1 4 2608 1 1 9 LYS CA C -1.413 -8.208 2.546 1.00 . A B . 9 LYS CA 1 1 4 2609 1 1 9 LYS CB C -1.588 -9.740 2.558 1.00 . A B . 9 LYS CB 1 1 4 2610 1 1 9 LYS CD C -3.093 -11.738 2.663 1.00 . A B . 9 LYS CD 1 1 4 2611 1 1 9 LYS CE C -4.512 -12.260 2.748 1.00 . A B . 9 LYS CE 1 1 4 2612 1 1 9 LYS CG C -3.034 -10.222 2.659 1.00 . A B . 9 LYS CG 1 1 4 2613 1 1 9 LYS H H 0.593 -7.898 3.105 1.00 . A B . 9 LYS H 1 1 4 2614 1 1 9 LYS HA H -1.974 -7.787 1.724 1.00 . A B . 9 LYS HA 1 1 4 2615 1 1 9 LYS HB2 H -1.166 -10.141 1.648 1.00 . A B . 9 LYS HB2 1 1 4 2616 1 1 9 LYS HB3 H -1.039 -10.138 3.398 1.00 . A B . 9 LYS HB3 1 1 4 2617 1 1 9 LYS HD2 H -2.651 -12.108 1.751 1.00 . A B . 9 LYS HD2 1 1 4 2618 1 1 9 LYS HD3 H -2.532 -12.105 3.509 1.00 . A B . 9 LYS HD3 1 1 4 2619 1 1 9 LYS HE2 H -4.957 -11.915 3.671 1.00 . A B . 9 LYS HE2 1 1 4 2620 1 1 9 LYS HE3 H -5.077 -11.877 1.911 1.00 . A B . 9 LYS HE3 1 1 4 2621 1 1 9 LYS HG2 H -3.465 -9.848 3.576 1.00 . A B . 9 LYS HG2 1 1 4 2622 1 1 9 LYS HG3 H -3.593 -9.846 1.814 1.00 . A B . 9 LYS HG3 1 1 4 2623 1 1 9 LYS HZ1 H -4.068 -14.147 3.547 1.00 . A B . 9 LYS HZ1 1 1 4 2624 1 1 9 LYS HZ2 H -4.110 -14.125 1.860 1.00 . A B . 9 LYS HZ2 1 1 4 2625 1 1 9 LYS HZ3 H -5.534 -14.077 2.733 1.00 . A B . 9 LYS HZ3 1 1 4 2626 1 1 9 LYS N N -0.035 -7.847 2.353 1.00 . A B . 9 LYS N 1 1 4 2627 1 1 9 LYS NZ N -4.552 -13.741 2.721 1.00 . A B . 9 LYS NZ 1 1 4 2628 1 1 9 LYS O O -1.832 -8.190 4.916 1.00 . A B . 9 LYS O 1 1 4 2629 1 1 10 LEU C C -4.119 -5.109 4.642 1.00 . A B . 10 LEU C 1 1 4 2630 1 1 10 LEU CA C -2.725 -5.562 4.888 1.00 . A B . 10 LEU CA 1 1 4 2631 1 1 10 LEU CB C -1.820 -4.344 5.177 1.00 . A B . 10 LEU CB 1 1 4 2632 1 1 10 LEU CD1 C 0.311 -5.656 5.648 1.00 . A B . 10 LEU CD1 1 1 4 2633 1 1 10 LEU CD2 C 0.178 -3.257 6.240 1.00 . A B . 10 LEU CD2 1 1 4 2634 1 1 10 LEU CG C -0.610 -4.546 6.116 1.00 . A B . 10 LEU CG 1 1 4 2635 1 1 10 LEU H H -2.257 -5.911 2.868 1.00 . A B . 10 LEU H 1 1 4 2636 1 1 10 LEU HA H -2.746 -6.193 5.764 1.00 . A B . 10 LEU HA 1 1 4 2637 1 1 10 LEU HB2 H -1.466 -3.976 4.230 1.00 . A B . 10 LEU HB2 1 1 4 2638 1 1 10 LEU HB3 H -2.443 -3.567 5.599 1.00 . A B . 10 LEU HB3 1 1 4 2639 1 1 10 LEU HD11 H 0.690 -5.411 4.668 1.00 . A B . 10 LEU HD11 1 1 4 2640 1 1 10 LEU HD12 H -0.240 -6.584 5.602 1.00 . A B . 10 LEU HD12 1 1 4 2641 1 1 10 LEU HD13 H 1.133 -5.755 6.340 1.00 . A B . 10 LEU HD13 1 1 4 2642 1 1 10 LEU HD21 H 0.615 -3.013 5.283 1.00 . A B . 10 LEU HD21 1 1 4 2643 1 1 10 LEU HD22 H 0.970 -3.386 6.962 1.00 . A B . 10 LEU HD22 1 1 4 2644 1 1 10 LEU HD23 H -0.472 -2.447 6.535 1.00 . A B . 10 LEU HD23 1 1 4 2645 1 1 10 LEU HG H -1.001 -4.785 7.093 1.00 . A B . 10 LEU HG 1 1 4 2646 1 1 10 LEU N N -2.257 -6.337 3.753 1.00 . A B . 10 LEU N 1 1 4 2647 1 1 10 LEU O O -4.665 -5.317 3.559 1.00 . A B . 10 LEU O 1 1 4 2648 1 1 11 CYS C C -6.223 -2.709 6.215 1.00 . A B . 11 CYS C 1 1 4 2649 1 1 11 CYS CA C -6.047 -4.033 5.496 1.00 . A B . 11 CYS CA 1 1 4 2650 1 1 11 CYS CB C -7.022 -5.034 6.109 1.00 . A B . 11 CYS CB 1 1 4 2651 1 1 11 CYS H H -4.164 -4.307 6.428 1.00 . A B . 11 CYS H 1 1 4 2652 1 1 11 CYS HA H -6.282 -3.916 4.449 1.00 . A B . 11 CYS HA 1 1 4 2653 1 1 11 CYS HB2 H -6.935 -4.982 7.179 1.00 . A B . 11 CYS HB2 1 1 4 2654 1 1 11 CYS HB3 H -7.993 -4.675 5.806 1.00 . A B . 11 CYS HB3 1 1 4 2655 1 1 11 CYS N N -4.688 -4.483 5.612 1.00 . A B . 11 CYS N 1 1 4 2656 1 1 11 CYS O O -5.363 -2.320 7.032 1.00 . A B . 11 CYS O 1 1 4 2657 1 1 11 CYS SG S -6.875 -6.783 5.571 1.00 . A B . 11 CYS SG 1 1 4 2658 1 1 12 GLY C C -6.675 0.217 6.868 1.00 . A B . 12 GLY C 1 1 4 2659 1 1 12 GLY CA C -7.743 -0.785 6.505 1.00 . A B . 12 GLY CA 1 1 4 2660 1 1 12 GLY H H -7.828 -2.336 5.096 1.00 . A B . 12 GLY H 1 1 4 2661 1 1 12 GLY HA2 H -8.462 -0.271 5.892 1.00 . A B . 12 GLY HA2 1 1 4 2662 1 1 12 GLY HA3 H -8.248 -1.076 7.414 1.00 . A B . 12 GLY HA3 1 1 4 2663 1 1 12 GLY N N -7.298 -2.006 5.852 1.00 . A B . 12 GLY N 1 1 4 2664 1 1 12 GLY O O -5.949 0.746 6.022 1.00 . A B . 12 GLY O 1 1 4 2665 1 1 13 ARG C C -4.235 1.076 8.578 1.00 . A B . 13 ARG C 1 1 4 2666 1 1 13 ARG CA C -5.704 1.411 8.750 1.00 . A B . 13 ARG CA 1 1 4 2667 1 1 13 ARG CB C -6.064 1.570 10.230 1.00 . A B . 13 ARG CB 1 1 4 2668 1 1 13 ARG CD C -7.939 2.005 11.872 1.00 . A B . 13 ARG CD 1 1 4 2669 1 1 13 ARG CG C -7.532 1.890 10.424 1.00 . A B . 13 ARG CG 1 1 4 2670 1 1 13 ARG CZ C -10.077 2.477 13.080 1.00 . A B . 13 ARG CZ 1 1 4 2671 1 1 13 ARG H H -7.114 -0.182 8.695 1.00 . A B . 13 ARG H 1 1 4 2672 1 1 13 ARG HA H -5.898 2.351 8.256 1.00 . A B . 13 ARG HA 1 1 4 2673 1 1 13 ARG HB2 H -5.835 0.651 10.750 1.00 . A B . 13 ARG HB2 1 1 4 2674 1 1 13 ARG HB3 H -5.481 2.375 10.655 1.00 . A B . 13 ARG HB3 1 1 4 2675 1 1 13 ARG HD2 H -7.617 1.119 12.400 1.00 . A B . 13 ARG HD2 1 1 4 2676 1 1 13 ARG HD3 H -7.474 2.878 12.303 1.00 . A B . 13 ARG HD3 1 1 4 2677 1 1 13 ARG HE H -9.885 1.944 11.142 1.00 . A B . 13 ARG HE 1 1 4 2678 1 1 13 ARG HG2 H -7.735 2.839 9.954 1.00 . A B . 13 ARG HG2 1 1 4 2679 1 1 13 ARG HG3 H -8.120 1.119 9.949 1.00 . A B . 13 ARG HG3 1 1 4 2680 1 1 13 ARG HH11 H -8.424 2.685 14.282 1.00 . A B . 13 ARG HH11 1 1 4 2681 1 1 13 ARG HH12 H -9.897 2.983 15.065 1.00 . A B . 13 ARG HH12 1 1 4 2682 1 1 13 ARG HH21 H -11.928 2.331 12.207 1.00 . A B . 13 ARG HH21 1 1 4 2683 1 1 13 ARG HH22 H -11.951 2.792 13.848 1.00 . A B . 13 ARG HH22 1 1 4 2684 1 1 13 ARG N N -6.566 0.412 8.140 1.00 . A B . 13 ARG N 1 1 4 2685 1 1 13 ARG NE N -9.401 2.141 11.978 1.00 . A B . 13 ARG NE 1 1 4 2686 1 1 13 ARG NH1 N -9.425 2.735 14.217 1.00 . A B . 13 ARG NH1 1 1 4 2687 1 1 13 ARG NH2 N -11.408 2.538 13.043 1.00 . A B . 13 ARG NH2 1 1 4 2688 1 1 13 ARG O O -3.388 1.981 8.545 1.00 . A B . 13 ARG O 1 1 4 2689 1 1 14 GLU C C -2.109 -0.313 6.821 1.00 . A B . 14 GLU C 1 1 4 2690 1 1 14 GLU CA C -2.552 -0.605 8.230 1.00 . A B . 14 GLU CA 1 1 4 2691 1 1 14 GLU CB C -2.355 -2.059 8.581 1.00 . A B . 14 GLU CB 1 1 4 2692 1 1 14 GLU CD C -2.099 -3.737 10.426 1.00 . A B . 14 GLU CD 1 1 4 2693 1 1 14 GLU CG C -2.516 -2.345 10.057 1.00 . A B . 14 GLU CG 1 1 4 2694 1 1 14 GLU H H -4.619 -0.898 8.363 1.00 . A B . 14 GLU H 1 1 4 2695 1 1 14 GLU HA H -1.945 0.004 8.887 1.00 . A B . 14 GLU HA 1 1 4 2696 1 1 14 GLU HB2 H -3.093 -2.634 8.041 1.00 . A B . 14 GLU HB2 1 1 4 2697 1 1 14 GLU HB3 H -1.374 -2.366 8.260 1.00 . A B . 14 GLU HB3 1 1 4 2698 1 1 14 GLU HG2 H -1.906 -1.648 10.611 1.00 . A B . 14 GLU HG2 1 1 4 2699 1 1 14 GLU HG3 H -3.551 -2.202 10.330 1.00 . A B . 14 GLU HG3 1 1 4 2700 1 1 14 GLU N N -3.923 -0.203 8.407 1.00 . A B . 14 GLU N 1 1 4 2701 1 1 14 GLU O O -0.932 -0.031 6.571 1.00 . A B . 14 GLU O 1 1 4 2702 1 1 14 GLU OE1 O -2.942 -4.666 10.392 1.00 . A B . 14 GLU OE1 1 1 4 2703 1 1 14 GLU OE2 O -0.916 -3.934 10.766 1.00 . A B . 14 GLU OE2 1 1 4 2704 1 1 15 LEU C C -2.467 1.491 4.477 1.00 . A B . 15 LEU C 1 1 4 2705 1 1 15 LEU CA C -2.814 0.031 4.519 1.00 . A B . 15 LEU CA 1 1 4 2706 1 1 15 LEU CB C -4.055 -0.180 3.662 1.00 . A B . 15 LEU CB 1 1 4 2707 1 1 15 LEU CD1 C -5.839 -1.645 2.787 1.00 . A B . 15 LEU CD1 1 1 4 2708 1 1 15 LEU CD2 C -3.505 -2.386 2.737 1.00 . A B . 15 LEU CD2 1 1 4 2709 1 1 15 LEU CG C -4.517 -1.600 3.503 1.00 . A B . 15 LEU CG 1 1 4 2710 1 1 15 LEU H H -3.938 -0.693 6.195 1.00 . A B . 15 LEU H 1 1 4 2711 1 1 15 LEU HA H -2.000 -0.562 4.130 1.00 . A B . 15 LEU HA 1 1 4 2712 1 1 15 LEU HB2 H -4.862 0.387 4.103 1.00 . A B . 15 LEU HB2 1 1 4 2713 1 1 15 LEU HB3 H -3.857 0.224 2.680 1.00 . A B . 15 LEU HB3 1 1 4 2714 1 1 15 LEU HD11 H -6.573 -1.097 3.359 1.00 . A B . 15 LEU HD11 1 1 4 2715 1 1 15 LEU HD12 H -6.154 -2.676 2.713 1.00 . A B . 15 LEU HD12 1 1 4 2716 1 1 15 LEU HD13 H -5.729 -1.207 1.807 1.00 . A B . 15 LEU HD13 1 1 4 2717 1 1 15 LEU HD21 H -3.398 -1.990 1.739 1.00 . A B . 15 LEU HD21 1 1 4 2718 1 1 15 LEU HD22 H -3.873 -3.402 2.685 1.00 . A B . 15 LEU HD22 1 1 4 2719 1 1 15 LEU HD23 H -2.559 -2.371 3.258 1.00 . A B . 15 LEU HD23 1 1 4 2720 1 1 15 LEU HG H -4.633 -2.058 4.474 1.00 . A B . 15 LEU HG 1 1 4 2721 1 1 15 LEU N N -3.062 -0.360 5.906 1.00 . A B . 15 LEU N 1 1 4 2722 1 1 15 LEU O O -1.536 1.893 3.799 1.00 . A B . 15 LEU O 1 1 4 2723 1 1 16 VAL C C -1.586 3.941 5.982 1.00 . A B . 16 VAL C 1 1 4 2724 1 1 16 VAL CA C -2.960 3.696 5.367 1.00 . A B . 16 VAL CA 1 1 4 2725 1 1 16 VAL CB C -4.070 4.407 6.199 1.00 . A B . 16 VAL CB 1 1 4 2726 1 1 16 VAL CG1 C -3.846 5.913 6.257 1.00 . A B . 16 VAL CG1 1 1 4 2727 1 1 16 VAL CG2 C -5.447 4.104 5.625 1.00 . A B . 16 VAL CG2 1 1 4 2728 1 1 16 VAL H H -3.922 1.855 5.777 1.00 . A B . 16 VAL H 1 1 4 2729 1 1 16 VAL HA H -2.943 4.107 4.366 1.00 . A B . 16 VAL HA 1 1 4 2730 1 1 16 VAL HB H -4.032 4.019 7.206 1.00 . A B . 16 VAL HB 1 1 4 2731 1 1 16 VAL HG11 H -4.629 6.373 6.842 1.00 . A B . 16 VAL HG11 1 1 4 2732 1 1 16 VAL HG12 H -3.861 6.318 5.255 1.00 . A B . 16 VAL HG12 1 1 4 2733 1 1 16 VAL HG13 H -2.888 6.116 6.712 1.00 . A B . 16 VAL HG13 1 1 4 2734 1 1 16 VAL HG21 H -5.623 3.040 5.651 1.00 . A B . 16 VAL HG21 1 1 4 2735 1 1 16 VAL HG22 H -5.495 4.451 4.604 1.00 . A B . 16 VAL HG22 1 1 4 2736 1 1 16 VAL HG23 H -6.201 4.609 6.212 1.00 . A B . 16 VAL HG23 1 1 4 2737 1 1 16 VAL N N -3.192 2.267 5.267 1.00 . A B . 16 VAL N 1 1 4 2738 1 1 16 VAL O O -0.844 4.781 5.512 1.00 . A B . 16 VAL O 1 1 4 2739 1 1 17 ARG C C 1.189 2.965 6.633 1.00 . A B . 17 ARG C 1 1 4 2740 1 1 17 ARG CA C 0.079 3.249 7.624 1.00 . A B . 17 ARG CA 1 1 4 2741 1 1 17 ARG CB C 0.200 2.345 8.851 1.00 . A B . 17 ARG CB 1 1 4 2742 1 1 17 ARG CD C 0.367 4.212 10.523 1.00 . A B . 17 ARG CD 1 1 4 2743 1 1 17 ARG CG C -0.368 2.933 10.129 1.00 . A B . 17 ARG CG 1 1 4 2744 1 1 17 ARG CZ C 2.760 4.928 10.615 1.00 . A B . 17 ARG CZ 1 1 4 2745 1 1 17 ARG H H -1.904 2.526 7.353 1.00 . A B . 17 ARG H 1 1 4 2746 1 1 17 ARG HA H 0.200 4.273 7.937 1.00 . A B . 17 ARG HA 1 1 4 2747 1 1 17 ARG HB2 H -0.343 1.435 8.641 1.00 . A B . 17 ARG HB2 1 1 4 2748 1 1 17 ARG HB3 H 1.234 2.088 9.018 1.00 . A B . 17 ARG HB3 1 1 4 2749 1 1 17 ARG HD2 H 0.191 4.984 9.790 1.00 . A B . 17 ARG HD2 1 1 4 2750 1 1 17 ARG HD3 H -0.014 4.541 11.478 1.00 . A B . 17 ARG HD3 1 1 4 2751 1 1 17 ARG HE H 2.061 3.041 10.787 1.00 . A B . 17 ARG HE 1 1 4 2752 1 1 17 ARG HG2 H -1.415 3.149 9.984 1.00 . A B . 17 ARG HG2 1 1 4 2753 1 1 17 ARG HG3 H -0.256 2.210 10.923 1.00 . A B . 17 ARG HG3 1 1 4 2754 1 1 17 ARG HH11 H 1.483 6.526 10.427 1.00 . A B . 17 ARG HH11 1 1 4 2755 1 1 17 ARG HH12 H 3.142 6.925 10.436 1.00 . A B . 17 ARG HH12 1 1 4 2756 1 1 17 ARG HH21 H 4.327 3.629 10.830 1.00 . A B . 17 ARG HH21 1 1 4 2757 1 1 17 ARG HH22 H 4.765 5.270 10.700 1.00 . A B . 17 ARG HH22 1 1 4 2758 1 1 17 ARG N N -1.241 3.163 7.005 1.00 . A B . 17 ARG N 1 1 4 2759 1 1 17 ARG NE N 1.812 3.986 10.659 1.00 . A B . 17 ARG NE 1 1 4 2760 1 1 17 ARG NH1 N 2.434 6.213 10.486 1.00 . A B . 17 ARG NH1 1 1 4 2761 1 1 17 ARG NH2 N 4.034 4.582 10.720 1.00 . A B . 17 ARG NH2 1 1 4 2762 1 1 17 ARG O O 2.198 3.660 6.614 1.00 . A B . 17 ARG O 1 1 4 2763 1 1 18 ALA C C 2.047 2.738 3.750 1.00 . A B . 18 ALA C 1 1 4 2764 1 1 18 ALA CA C 1.941 1.618 4.775 1.00 . A B . 18 ALA CA 1 1 4 2765 1 1 18 ALA CB C 1.557 0.305 4.112 1.00 . A B . 18 ALA CB 1 1 4 2766 1 1 18 ALA H H 0.132 1.487 5.882 1.00 . A B . 18 ALA H 1 1 4 2767 1 1 18 ALA HA H 2.900 1.501 5.258 1.00 . A B . 18 ALA HA 1 1 4 2768 1 1 18 ALA HB1 H 2.295 0.046 3.366 1.00 . A B . 18 ALA HB1 1 1 4 2769 1 1 18 ALA HB2 H 0.589 0.412 3.646 1.00 . A B . 18 ALA HB2 1 1 4 2770 1 1 18 ALA HB3 H 1.510 -0.474 4.857 1.00 . A B . 18 ALA HB3 1 1 4 2771 1 1 18 ALA N N 0.976 1.979 5.796 1.00 . A B . 18 ALA N 1 1 4 2772 1 1 18 ALA O O 3.137 3.133 3.374 1.00 . A B . 18 ALA O 1 1 4 2773 1 1 19 GLN C C 1.575 5.596 2.941 1.00 . A B . 19 GLN C 1 1 4 2774 1 1 19 GLN CA C 0.785 4.388 2.417 1.00 . A B . 19 GLN CA 1 1 4 2775 1 1 19 GLN CB C -0.693 4.764 2.280 1.00 . A B . 19 GLN CB 1 1 4 2776 1 1 19 GLN CD C -2.942 4.161 1.267 1.00 . A B . 19 GLN CD 1 1 4 2777 1 1 19 GLN CG C -1.467 3.848 1.364 1.00 . A B . 19 GLN CG 1 1 4 2778 1 1 19 GLN H H 0.062 2.838 3.662 1.00 . A B . 19 GLN H 1 1 4 2779 1 1 19 GLN HA H 1.149 4.058 1.451 1.00 . A B . 19 GLN HA 1 1 4 2780 1 1 19 GLN HB2 H -1.114 4.653 3.269 1.00 . A B . 19 GLN HB2 1 1 4 2781 1 1 19 GLN HB3 H -0.819 5.792 1.994 1.00 . A B . 19 GLN HB3 1 1 4 2782 1 1 19 GLN HE21 H -2.951 3.472 -0.571 1.00 . A B . 19 GLN HE21 1 1 4 2783 1 1 19 GLN HE22 H -4.468 4.043 0.034 1.00 . A B . 19 GLN HE22 1 1 4 2784 1 1 19 GLN HG2 H -1.049 3.943 0.373 1.00 . A B . 19 GLN HG2 1 1 4 2785 1 1 19 GLN HG3 H -1.346 2.834 1.717 1.00 . A B . 19 GLN HG3 1 1 4 2786 1 1 19 GLN N N 0.894 3.251 3.335 1.00 . A B . 19 GLN N 1 1 4 2787 1 1 19 GLN NE2 N -3.512 3.867 0.128 1.00 . A B . 19 GLN NE2 1 1 4 2788 1 1 19 GLN O O 2.436 6.155 2.245 1.00 . A B . 19 GLN O 1 1 4 2789 1 1 19 GLN OE1 O -3.568 4.652 2.203 1.00 . A B . 19 GLN OE1 1 1 4 2790 1 1 20 ILE C C 3.450 6.822 4.949 1.00 . A B . 20 ILE C 1 1 4 2791 1 1 20 ILE CA C 1.931 7.065 4.875 1.00 . A B . 20 ILE CA 1 1 4 2792 1 1 20 ILE CB C 1.341 7.233 6.315 1.00 . A B . 20 ILE CB 1 1 4 2793 1 1 20 ILE CD1 C -0.809 7.756 7.605 1.00 . A B . 20 ILE CD1 1 1 4 2794 1 1 20 ILE CG1 C -0.133 7.658 6.249 1.00 . A B . 20 ILE CG1 1 1 4 2795 1 1 20 ILE CG2 C 2.138 8.232 7.135 1.00 . A B . 20 ILE CG2 1 1 4 2796 1 1 20 ILE H H 0.528 5.492 4.609 1.00 . A B . 20 ILE H 1 1 4 2797 1 1 20 ILE HA H 1.753 7.975 4.320 1.00 . A B . 20 ILE HA 1 1 4 2798 1 1 20 ILE HB H 1.398 6.276 6.810 1.00 . A B . 20 ILE HB 1 1 4 2799 1 1 20 ILE HD11 H -0.297 8.490 8.209 1.00 . A B . 20 ILE HD11 1 1 4 2800 1 1 20 ILE HD12 H -0.772 6.795 8.096 1.00 . A B . 20 ILE HD12 1 1 4 2801 1 1 20 ILE HD13 H -1.839 8.052 7.474 1.00 . A B . 20 ILE HD13 1 1 4 2802 1 1 20 ILE HG12 H -0.201 8.627 5.779 1.00 . A B . 20 ILE HG12 1 1 4 2803 1 1 20 ILE HG13 H -0.678 6.939 5.655 1.00 . A B . 20 ILE HG13 1 1 4 2804 1 1 20 ILE HG21 H 3.163 7.900 7.211 1.00 . A B . 20 ILE HG21 1 1 4 2805 1 1 20 ILE HG22 H 1.707 8.302 8.122 1.00 . A B . 20 ILE HG22 1 1 4 2806 1 1 20 ILE HG23 H 2.102 9.199 6.657 1.00 . A B . 20 ILE HG23 1 1 4 2807 1 1 20 ILE N N 1.266 5.973 4.169 1.00 . A B . 20 ILE N 1 1 4 2808 1 1 20 ILE O O 4.259 7.747 4.714 1.00 . A B . 20 ILE O 1 1 4 2809 1 1 21 ALA C C 5.921 5.378 3.987 1.00 . A B . 21 ALA C 1 1 4 2810 1 1 21 ALA CA C 5.231 5.202 5.332 1.00 . A B . 21 ALA CA 1 1 4 2811 1 1 21 ALA CB C 5.375 3.770 5.826 1.00 . A B . 21 ALA CB 1 1 4 2812 1 1 21 ALA H H 3.143 4.906 5.422 1.00 . A B . 21 ALA H 1 1 4 2813 1 1 21 ALA HA H 5.701 5.862 6.047 1.00 . A B . 21 ALA HA 1 1 4 2814 1 1 21 ALA HB1 H 4.879 3.666 6.780 1.00 . A B . 21 ALA HB1 1 1 4 2815 1 1 21 ALA HB2 H 6.422 3.529 5.935 1.00 . A B . 21 ALA HB2 1 1 4 2816 1 1 21 ALA HB3 H 4.923 3.099 5.111 1.00 . A B . 21 ALA HB3 1 1 4 2817 1 1 21 ALA N N 3.831 5.587 5.246 1.00 . A B . 21 ALA N 1 1 4 2818 1 1 21 ALA O O 7.016 5.923 3.925 1.00 . A B . 21 ALA O 1 1 4 2819 1 1 22 ILE C C 6.053 6.497 1.156 1.00 . A B . 22 ILE C 1 1 4 2820 1 1 22 ILE CA C 5.725 5.051 1.532 1.00 . A B . 22 ILE CA 1 1 4 2821 1 1 22 ILE CB C 4.653 4.501 0.548 1.00 . A B . 22 ILE CB 1 1 4 2822 1 1 22 ILE CD1 C 3.407 2.396 -0.146 1.00 . A B . 22 ILE CD1 1 1 4 2823 1 1 22 ILE CG1 C 4.532 2.983 0.668 1.00 . A B . 22 ILE CG1 1 1 4 2824 1 1 22 ILE CG2 C 4.931 4.917 -0.886 1.00 . A B . 22 ILE CG2 1 1 4 2825 1 1 22 ILE H H 4.376 4.514 3.085 1.00 . A B . 22 ILE H 1 1 4 2826 1 1 22 ILE HA H 6.616 4.449 1.433 1.00 . A B . 22 ILE HA 1 1 4 2827 1 1 22 ILE HB H 3.707 4.940 0.832 1.00 . A B . 22 ILE HB 1 1 4 2828 1 1 22 ILE HD11 H 2.476 2.842 0.169 1.00 . A B . 22 ILE HD11 1 1 4 2829 1 1 22 ILE HD12 H 3.366 1.328 0.005 1.00 . A B . 22 ILE HD12 1 1 4 2830 1 1 22 ILE HD13 H 3.573 2.607 -1.193 1.00 . A B . 22 ILE HD13 1 1 4 2831 1 1 22 ILE HG12 H 5.452 2.530 0.329 1.00 . A B . 22 ILE HG12 1 1 4 2832 1 1 22 ILE HG13 H 4.369 2.723 1.704 1.00 . A B . 22 ILE HG13 1 1 4 2833 1 1 22 ILE HG21 H 4.157 4.523 -1.528 1.00 . A B . 22 ILE HG21 1 1 4 2834 1 1 22 ILE HG22 H 5.890 4.527 -1.195 1.00 . A B . 22 ILE HG22 1 1 4 2835 1 1 22 ILE HG23 H 4.941 5.995 -0.954 1.00 . A B . 22 ILE HG23 1 1 4 2836 1 1 22 ILE N N 5.246 4.945 2.925 1.00 . A B . 22 ILE N 1 1 4 2837 1 1 22 ILE O O 7.126 6.797 0.609 1.00 . A B . 22 ILE O 1 1 4 2838 1 1 23 CYS C C 6.415 9.433 2.032 1.00 . A B . 23 CYS C 1 1 4 2839 1 1 23 CYS CA C 5.361 8.784 1.155 1.00 . A B . 23 CYS CA 1 1 4 2840 1 1 23 CYS CB C 4.045 9.523 1.218 1.00 . A B . 23 CYS CB 1 1 4 2841 1 1 23 CYS H H 4.348 7.099 1.955 1.00 . A B . 23 CYS H 1 1 4 2842 1 1 23 CYS HA H 5.718 8.809 0.136 1.00 . A B . 23 CYS HA 1 1 4 2843 1 1 23 CYS HB2 H 3.522 9.177 2.098 1.00 . A B . 23 CYS HB2 1 1 4 2844 1 1 23 CYS HB3 H 4.275 10.568 1.329 1.00 . A B . 23 CYS HB3 1 1 4 2845 1 1 23 CYS N N 5.168 7.393 1.495 1.00 . A B . 23 CYS N 1 1 4 2846 1 1 23 CYS O O 7.053 10.414 1.652 1.00 . A B . 23 CYS O 1 1 4 2847 1 1 23 CYS SG S 2.971 9.238 -0.244 1.00 . A B . 23 CYS SG 1 1 4 2848 1 1 24 GLY C C 9.006 8.533 3.759 1.00 . A B . 24 GLY C 1 1 4 2849 1 1 24 GLY CA C 7.690 9.274 4.047 1.00 . A B . 24 GLY CA 1 1 4 2850 1 1 24 GLY H H 5.994 8.138 3.402 1.00 . A B . 24 GLY H 1 1 4 2851 1 1 24 GLY HA2 H 7.847 10.335 3.920 1.00 . A B . 24 GLY HA2 1 1 4 2852 1 1 24 GLY HA3 H 7.399 9.079 5.068 1.00 . A B . 24 GLY HA3 1 1 4 2853 1 1 24 GLY N N 6.625 8.851 3.167 1.00 . A B . 24 GLY N 1 1 4 2854 1 1 24 GLY O O 9.977 8.670 4.503 1.00 . A B . 24 GLY O 1 1 4 2855 1 1 25 MET C C 10.961 7.621 1.132 1.00 . A B . 25 MET C 1 1 4 2856 1 1 25 MET CA C 10.224 6.976 2.282 1.00 . A B . 25 MET CA 1 1 4 2857 1 1 25 MET CB C 9.839 5.548 1.897 1.00 . A B . 25 MET CB 1 1 4 2858 1 1 25 MET CE C 10.700 3.319 5.271 1.00 . A B . 25 MET CE 1 1 4 2859 1 1 25 MET CG C 9.689 4.607 3.058 1.00 . A B . 25 MET CG 1 1 4 2860 1 1 25 MET H H 8.239 7.693 2.115 1.00 . A B . 25 MET H 1 1 4 2861 1 1 25 MET HA H 10.887 6.934 3.132 1.00 . A B . 25 MET HA 1 1 4 2862 1 1 25 MET HB2 H 8.898 5.578 1.367 1.00 . A B . 25 MET HB2 1 1 4 2863 1 1 25 MET HB3 H 10.594 5.154 1.231 1.00 . A B . 25 MET HB3 1 1 4 2864 1 1 25 MET HE1 H 11.545 3.065 5.893 1.00 . A B . 25 MET HE1 1 1 4 2865 1 1 25 MET HE2 H 10.267 2.417 4.868 1.00 . A B . 25 MET HE2 1 1 4 2866 1 1 25 MET HE3 H 9.960 3.841 5.859 1.00 . A B . 25 MET HE3 1 1 4 2867 1 1 25 MET HG2 H 8.954 5.010 3.738 1.00 . A B . 25 MET HG2 1 1 4 2868 1 1 25 MET HG3 H 9.351 3.654 2.677 1.00 . A B . 25 MET HG3 1 1 4 2869 1 1 25 MET N N 9.040 7.758 2.682 1.00 . A B . 25 MET N 1 1 4 2870 1 1 25 MET O O 11.608 6.939 0.327 1.00 . A B . 25 MET O 1 1 4 2871 1 1 25 MET SD S 11.248 4.365 3.934 1.00 . A B . 25 MET SD 1 1 4 2872 1 1 26 SER C C 13.133 9.775 0.269 1.00 . A B . 26 SER C 1 1 4 2873 1 1 26 SER CA C 11.599 9.693 0.056 1.00 . A B . 26 SER CA 1 1 4 2874 1 1 26 SER CB C 10.945 11.097 -0.005 1.00 . A B . 26 SER CB 1 1 4 2875 1 1 26 SER H H 10.565 9.419 1.864 1.00 . A B . 26 SER H 1 1 4 2876 1 1 26 SER HA H 11.411 9.173 -0.869 1.00 . A B . 26 SER HA 1 1 4 2877 1 1 26 SER HB2 H 9.872 10.989 -0.062 1.00 . A B . 26 SER HB2 1 1 4 2878 1 1 26 SER HB3 H 11.196 11.640 0.895 1.00 . A B . 26 SER HB3 1 1 4 2879 1 1 26 SER HG H 12.341 11.850 -1.119 1.00 . A B . 26 SER HG 1 1 4 2880 1 1 26 SER N N 10.977 8.929 1.122 1.00 . A B . 26 SER N 1 1 4 2881 1 1 26 SER O O 13.820 10.587 -0.345 1.00 . A B . 26 SER O 1 1 4 2882 1 1 26 SER OG O 11.376 11.853 -1.127 1.00 . A B . 26 SER OG 1 1 4 2883 1 1 27 THR C C 15.782 7.972 0.381 1.00 . A B . 27 THR C 1 1 4 2884 1 1 27 THR CA C 15.062 8.827 1.419 1.00 . A B . 27 THR CA 1 1 4 2885 1 1 27 THR CB C 15.241 8.195 2.801 1.00 . A B . 27 THR CB 1 1 4 2886 1 1 27 THR CG2 C 16.627 8.471 3.362 1.00 . A B . 27 THR CG2 1 1 4 2887 1 1 27 THR H H 13.034 8.272 1.548 1.00 . A B . 27 THR H 1 1 4 2888 1 1 27 THR HA H 15.469 9.817 1.415 1.00 . A B . 27 THR HA 1 1 4 2889 1 1 27 THR HB H 15.093 7.128 2.716 1.00 . A B . 27 THR HB 1 1 4 2890 1 1 27 THR HG1 H 14.303 9.705 3.608 1.00 . A B . 27 THR HG1 1 1 4 2891 1 1 27 THR HG21 H 16.777 9.536 3.464 1.00 . A B . 27 THR HG21 1 1 4 2892 1 1 27 THR HG22 H 17.368 8.067 2.690 1.00 . A B . 27 THR HG22 1 1 4 2893 1 1 27 THR HG23 H 16.725 8.000 4.329 1.00 . A B . 27 THR HG23 1 1 4 2894 1 1 27 THR N N 13.648 8.894 1.106 1.00 . A B . 27 THR N 1 1 4 2895 1 1 27 THR O O 17.002 8.036 0.200 1.00 . A B . 27 THR O 1 1 4 2896 1 1 27 THR OG1 O 14.255 8.743 3.694 1.00 . A B . 27 THR OG1 1 1 4 2897 1 1 28 TRP C C 15.396 6.939 -2.610 1.00 . A B . 28 TRP C 1 1 4 2898 1 1 28 TRP CA C 15.507 6.285 -1.265 1.00 . A B . 28 TRP CA 1 1 4 2899 1 1 28 TRP CB C 14.709 4.971 -1.221 1.00 . A B . 28 TRP CB 1 1 4 2900 1 1 28 TRP CD1 C 13.813 4.502 1.127 1.00 . A B . 28 TRP CD1 1 1 4 2901 1 1 28 TRP CD2 C 15.715 3.433 0.646 1.00 . A B . 28 TRP CD2 1 1 4 2902 1 1 28 TRP CE2 C 15.341 3.115 1.962 1.00 . A B . 28 TRP CE2 1 1 4 2903 1 1 28 TRP CE3 C 16.882 2.868 0.123 1.00 . A B . 28 TRP CE3 1 1 4 2904 1 1 28 TRP CG C 14.728 4.331 0.133 1.00 . A B . 28 TRP CG 1 1 4 2905 1 1 28 TRP CH2 C 17.225 1.722 2.224 1.00 . A B . 28 TRP CH2 1 1 4 2906 1 1 28 TRP CZ2 C 16.090 2.260 2.761 1.00 . A B . 28 TRP CZ2 1 1 4 2907 1 1 28 TRP CZ3 C 17.623 2.018 0.918 1.00 . A B . 28 TRP CZ3 1 1 4 2908 1 1 28 TRP H H 14.061 7.320 -0.087 1.00 . A B . 28 TRP H 1 1 4 2909 1 1 28 TRP HA H 16.543 6.083 -1.043 1.00 . A B . 28 TRP HA 1 1 4 2910 1 1 28 TRP HB2 H 13.679 5.167 -1.478 1.00 . A B . 28 TRP HB2 1 1 4 2911 1 1 28 TRP HB3 H 15.128 4.273 -1.928 1.00 . A B . 28 TRP HB3 1 1 4 2912 1 1 28 TRP HD1 H 12.934 5.124 1.040 1.00 . A B . 28 TRP HD1 1 1 4 2913 1 1 28 TRP HE1 H 13.672 3.771 3.076 1.00 . A B . 28 TRP HE1 1 1 4 2914 1 1 28 TRP HE3 H 17.206 3.086 -0.884 1.00 . A B . 28 TRP HE3 1 1 4 2915 1 1 28 TRP HH2 H 17.836 1.051 2.811 1.00 . A B . 28 TRP HH2 1 1 4 2916 1 1 28 TRP HZ2 H 15.793 2.022 3.771 1.00 . A B . 28 TRP HZ2 1 1 4 2917 1 1 28 TRP HZ3 H 18.527 1.572 0.533 1.00 . A B . 28 TRP HZ3 1 1 4 2918 1 1 28 TRP N N 15.013 7.202 -0.282 1.00 . A B . 28 TRP N 1 1 4 2919 1 1 28 TRP NE1 N 14.175 3.788 2.230 1.00 . A B . 28 TRP NE1 1 1 4 2920 1 1 28 TRP O O 14.311 7.347 -3.016 1.00 . A B . 28 TRP O 1 1 4 2921 1 1 29 SER C C 17.573 7.128 -5.428 1.00 . A B . 29 SER C 1 1 4 2922 1 1 29 SER CA C 16.486 7.745 -4.554 1.00 . A B . 29 SER CA 1 1 4 2923 1 1 29 SER CB C 16.684 9.258 -4.396 1.00 . A B . 29 SER CB 1 1 4 2924 1 1 29 SER H H 17.349 6.847 -2.875 1.00 . A B . 29 SER H 1 1 4 2925 1 1 29 SER HA H 15.522 7.565 -5.003 1.00 . A B . 29 SER HA 1 1 4 2926 1 1 29 SER HB2 H 17.657 9.438 -3.965 1.00 . A B . 29 SER HB2 1 1 4 2927 1 1 29 SER HB3 H 16.618 9.737 -5.361 1.00 . A B . 29 SER HB3 1 1 4 2928 1 1 29 SER HG H 15.086 9.080 -3.327 1.00 . A B . 29 SER HG 1 1 4 2929 1 1 29 SER N N 16.490 7.129 -3.261 1.00 . A B . 29 SER N 1 1 4 2930 1 1 29 SER O O 18.637 7.721 -5.643 1.00 . A B . 29 SER O 1 1 4 2931 1 1 29 SER OG O 15.684 9.815 -3.529 1.00 . A B . 29 SER OG 1 1 4 2932 1 1 30 NH2 HN1 H 16.441 5.545 -5.704 1.00 . A B . 30 NH2 HN1 1 1 4 2933 1 1 30 NH2 HN2 H 17.973 5.508 -6.494 1.00 . A B . 30 NH2 HN2 1 1 4 2934 1 1 30 NH2 N N 17.309 5.949 -5.924 1.00 . A B . 30 NH2 N 1 1 4 2935 2 2 1 PCA C C -12.881 3.116 -5.039 1.00 . B A . 1 PCA C 1 1 4 2936 2 2 1 PCA CA C -14.200 3.832 -4.891 1.00 . B A . 1 PCA CA 1 1 4 2937 2 2 1 PCA CB C -15.336 2.959 -5.379 1.00 . B A . 1 PCA CB 1 1 4 2938 2 2 1 PCA CD C -15.053 4.898 -6.755 1.00 . B A . 1 PCA CD 1 1 4 2939 2 2 1 PCA CG C -15.866 3.617 -6.641 1.00 . B A . 1 PCA CG 1 1 4 2940 2 2 1 PCA HA H -14.309 4.103 -3.855 1.00 . B A . 1 PCA HA 1 1 4 2941 2 2 1 PCA HB2 H -14.965 1.958 -5.602 1.00 . B A . 1 PCA HB2 1 1 4 2942 2 2 1 PCA HB3 H -16.119 2.906 -4.623 1.00 . B A . 1 PCA HB3 1 1 4 2943 2 2 1 PCA HG2 H -15.706 2.969 -7.503 1.00 . B A . 1 PCA HG2 1 1 4 2944 2 2 1 PCA HG3 H -16.920 3.875 -6.536 1.00 . B A . 1 PCA HG3 1 1 4 2945 2 2 1 PCA N N -14.201 5.041 -5.735 1.00 . B A . 1 PCA N 1 1 4 2946 2 2 1 PCA O O -12.722 1.942 -4.705 1.00 . B A . 1 PCA O 1 1 4 2947 2 2 1 PCA OE O -15.182 5.707 -7.674 1.00 . B A . 1 PCA OE 1 1 4 2948 2 2 2 LEU C C -9.819 3.030 -4.525 1.00 . B A . 2 LEU C 1 1 4 2949 2 2 2 LEU CA C -10.605 3.368 -5.790 1.00 . B A . 2 LEU CA 1 1 4 2950 2 2 2 LEU CB C -9.855 4.358 -6.675 1.00 . B A . 2 LEU CB 1 1 4 2951 2 2 2 LEU CD1 C -9.706 5.740 -8.763 1.00 . B A . 2 LEU CD1 1 1 4 2952 2 2 2 LEU CD2 C -10.787 3.491 -8.852 1.00 . B A . 2 LEU CD2 1 1 4 2953 2 2 2 LEU CG C -10.538 4.729 -7.999 1.00 . B A . 2 LEU CG 1 1 4 2954 2 2 2 LEU H H -12.191 4.813 -5.567 1.00 . B A . 2 LEU H 1 1 4 2955 2 2 2 LEU HA H -10.742 2.449 -6.337 1.00 . B A . 2 LEU HA 1 1 4 2956 2 2 2 LEU HB2 H -9.690 5.262 -6.110 1.00 . B A . 2 LEU HB2 1 1 4 2957 2 2 2 LEU HB3 H -8.897 3.918 -6.911 1.00 . B A . 2 LEU HB3 1 1 4 2958 2 2 2 LEU HD11 H -9.591 6.634 -8.169 1.00 . B A . 2 LEU HD11 1 1 4 2959 2 2 2 LEU HD12 H -10.199 5.985 -9.693 1.00 . B A . 2 LEU HD12 1 1 4 2960 2 2 2 LEU HD13 H -8.734 5.321 -8.970 1.00 . B A . 2 LEU HD13 1 1 4 2961 2 2 2 LEU HD21 H -11.243 3.786 -9.787 1.00 . B A . 2 LEU HD21 1 1 4 2962 2 2 2 LEU HD22 H -11.446 2.815 -8.328 1.00 . B A . 2 LEU HD22 1 1 4 2963 2 2 2 LEU HD23 H -9.849 2.997 -9.050 1.00 . B A . 2 LEU HD23 1 1 4 2964 2 2 2 LEU HG H -11.491 5.187 -7.779 1.00 . B A . 2 LEU HG 1 1 4 2965 2 2 2 LEU N N -11.929 3.871 -5.476 1.00 . B A . 2 LEU N 1 1 4 2966 2 2 2 LEU O O -9.036 2.075 -4.503 1.00 . B A . 2 LEU O 1 1 4 2967 2 2 3 TYR C C -9.971 2.218 -1.621 1.00 . B A . 3 TYR C 1 1 4 2968 2 2 3 TYR CA C -9.421 3.503 -2.181 1.00 . B A . 3 TYR CA 1 1 4 2969 2 2 3 TYR CB C -9.653 4.618 -1.178 1.00 . B A . 3 TYR CB 1 1 4 2970 2 2 3 TYR CD1 C -7.496 5.914 -1.133 1.00 . B A . 3 TYR CD1 1 1 4 2971 2 2 3 TYR CD2 C -9.451 7.011 -1.928 1.00 . B A . 3 TYR CD2 1 1 4 2972 2 2 3 TYR CE1 C -6.761 7.060 -1.349 1.00 . B A . 3 TYR CE1 1 1 4 2973 2 2 3 TYR CE2 C -8.724 8.159 -2.144 1.00 . B A . 3 TYR CE2 1 1 4 2974 2 2 3 TYR CG C -8.854 5.871 -1.421 1.00 . B A . 3 TYR CG 1 1 4 2975 2 2 3 TYR CZ C -7.382 8.177 -1.854 1.00 . B A . 3 TYR CZ 1 1 4 2976 2 2 3 TYR H H -10.672 4.541 -3.563 1.00 . B A . 3 TYR H 1 1 4 2977 2 2 3 TYR HA H -8.360 3.388 -2.349 1.00 . B A . 3 TYR HA 1 1 4 2978 2 2 3 TYR HB2 H -10.698 4.885 -1.219 1.00 . B A . 3 TYR HB2 1 1 4 2979 2 2 3 TYR HB3 H -9.443 4.234 -0.194 1.00 . B A . 3 TYR HB3 1 1 4 2980 2 2 3 TYR HD1 H -7.015 5.032 -0.738 1.00 . B A . 3 TYR HD1 1 1 4 2981 2 2 3 TYR HD2 H -10.506 6.996 -2.155 1.00 . B A . 3 TYR HD2 1 1 4 2982 2 2 3 TYR HE1 H -5.706 7.079 -1.121 1.00 . B A . 3 TYR HE1 1 1 4 2983 2 2 3 TYR HE2 H -9.208 9.038 -2.541 1.00 . B A . 3 TYR HE2 1 1 4 2984 2 2 3 TYR HH H -7.252 10.058 -1.844 1.00 . B A . 3 TYR HH 1 1 4 2985 2 2 3 TYR N N -10.052 3.788 -3.466 1.00 . B A . 3 TYR N 1 1 4 2986 2 2 3 TYR O O -9.229 1.361 -1.140 1.00 . B A . 3 TYR O 1 1 4 2987 2 2 3 TYR OH O -6.661 9.324 -2.056 1.00 . B A . 3 TYR OH 1 1 4 2988 2 2 4 SER C C -11.527 -0.291 -2.049 1.00 . B A . 4 SER C 1 1 4 2989 2 2 4 SER CA C -12.001 0.942 -1.268 1.00 . B A . 4 SER CA 1 1 4 2990 2 2 4 SER CB C -13.467 1.193 -1.527 1.00 . B A . 4 SER CB 1 1 4 2991 2 2 4 SER H H -11.787 2.896 -1.961 1.00 . B A . 4 SER H 1 1 4 2992 2 2 4 SER HA H -11.855 0.787 -0.211 1.00 . B A . 4 SER HA 1 1 4 2993 2 2 4 SER HB2 H -13.651 1.179 -2.591 1.00 . B A . 4 SER HB2 1 1 4 2994 2 2 4 SER HB3 H -14.058 0.431 -1.041 1.00 . B A . 4 SER HB3 1 1 4 2995 2 2 4 SER HG H -14.787 2.548 -1.184 1.00 . B A . 4 SER HG 1 1 4 2996 2 2 4 SER N N -11.270 2.115 -1.676 1.00 . B A . 4 SER N 1 1 4 2997 2 2 4 SER O O -11.386 -1.376 -1.473 1.00 . B A . 4 SER O 1 1 4 2998 2 2 4 SER OG O -13.840 2.465 -1.009 1.00 . B A . 4 SER OG 1 1 4 2999 2 2 5 ALA C C -9.443 -1.666 -3.674 1.00 . B A . 5 ALA C 1 1 4 3000 2 2 5 ALA CA C -10.762 -1.149 -4.210 1.00 . B A . 5 ALA CA 1 1 4 3001 2 2 5 ALA CB C -10.601 -0.645 -5.639 1.00 . B A . 5 ALA CB 1 1 4 3002 2 2 5 ALA H H -11.473 0.774 -3.746 1.00 . B A . 5 ALA H 1 1 4 3003 2 2 5 ALA HA H -11.474 -1.960 -4.205 1.00 . B A . 5 ALA HA 1 1 4 3004 2 2 5 ALA HB1 H -10.259 -1.452 -6.270 1.00 . B A . 5 ALA HB1 1 1 4 3005 2 2 5 ALA HB2 H -9.876 0.155 -5.656 1.00 . B A . 5 ALA HB2 1 1 4 3006 2 2 5 ALA HB3 H -11.549 -0.278 -6.004 1.00 . B A . 5 ALA HB3 1 1 4 3007 2 2 5 ALA N N -11.275 -0.102 -3.349 1.00 . B A . 5 ALA N 1 1 4 3008 2 2 5 ALA O O -9.309 -2.856 -3.414 1.00 . B A . 5 ALA O 1 1 4 3009 2 2 6 LEU C C -7.342 -1.803 -1.553 1.00 . B A . 6 LEU C 1 1 4 3010 2 2 6 LEU CA C -7.184 -1.123 -2.908 1.00 . B A . 6 LEU CA 1 1 4 3011 2 2 6 LEU CB C -6.274 0.112 -2.766 1.00 . B A . 6 LEU CB 1 1 4 3012 2 2 6 LEU CD1 C -4.060 -1.086 -2.917 1.00 . B A . 6 LEU CD1 1 1 4 3013 2 2 6 LEU CD2 C -4.168 1.170 -1.863 1.00 . B A . 6 LEU CD2 1 1 4 3014 2 2 6 LEU CG C -4.905 -0.134 -2.099 1.00 . B A . 6 LEU CG 1 1 4 3015 2 2 6 LEU H H -8.677 0.181 -3.682 1.00 . B A . 6 LEU H 1 1 4 3016 2 2 6 LEU HA H -6.722 -1.828 -3.586 1.00 . B A . 6 LEU HA 1 1 4 3017 2 2 6 LEU HB2 H -6.102 0.518 -3.752 1.00 . B A . 6 LEU HB2 1 1 4 3018 2 2 6 LEU HB3 H -6.804 0.850 -2.181 1.00 . B A . 6 LEU HB3 1 1 4 3019 2 2 6 LEU HD11 H -3.107 -1.230 -2.429 1.00 . B A . 6 LEU HD11 1 1 4 3020 2 2 6 LEU HD12 H -3.901 -0.673 -3.903 1.00 . B A . 6 LEU HD12 1 1 4 3021 2 2 6 LEU HD13 H -4.566 -2.037 -3.003 1.00 . B A . 6 LEU HD13 1 1 4 3022 2 2 6 LEU HD21 H -3.209 0.971 -1.405 1.00 . B A . 6 LEU HD21 1 1 4 3023 2 2 6 LEU HD22 H -4.751 1.806 -1.213 1.00 . B A . 6 LEU HD22 1 1 4 3024 2 2 6 LEU HD23 H -4.013 1.670 -2.807 1.00 . B A . 6 LEU HD23 1 1 4 3025 2 2 6 LEU HG H -5.076 -0.603 -1.141 1.00 . B A . 6 LEU HG 1 1 4 3026 2 2 6 LEU N N -8.491 -0.758 -3.458 1.00 . B A . 6 LEU N 1 1 4 3027 2 2 6 LEU O O -6.709 -2.832 -1.296 1.00 . B A . 6 LEU O 1 1 4 3028 2 2 7 ALA C C -8.922 -3.210 0.548 1.00 . B A . 7 ALA C 1 1 4 3029 2 2 7 ALA CA C -8.476 -1.760 0.608 1.00 . B A . 7 ALA CA 1 1 4 3030 2 2 7 ALA CB C -9.513 -0.905 1.327 1.00 . B A . 7 ALA CB 1 1 4 3031 2 2 7 ALA H H -8.673 -0.422 -1.012 1.00 . B A . 7 ALA H 1 1 4 3032 2 2 7 ALA HA H -7.555 -1.715 1.168 1.00 . B A . 7 ALA HA 1 1 4 3033 2 2 7 ALA HB1 H -10.454 -0.968 0.801 1.00 . B A . 7 ALA HB1 1 1 4 3034 2 2 7 ALA HB2 H -9.181 0.122 1.345 1.00 . B A . 7 ALA HB2 1 1 4 3035 2 2 7 ALA HB3 H -9.640 -1.261 2.338 1.00 . B A . 7 ALA HB3 1 1 4 3036 2 2 7 ALA N N -8.207 -1.236 -0.718 1.00 . B A . 7 ALA N 1 1 4 3037 2 2 7 ALA O O -8.326 -4.073 1.183 1.00 . B A . 7 ALA O 1 1 4 3038 2 2 8 ASN C C -9.467 -5.754 -1.048 1.00 . B A . 8 ASN C 1 1 4 3039 2 2 8 ASN CA C -10.460 -4.823 -0.389 1.00 . B A . 8 ASN CA 1 1 4 3040 2 2 8 ASN CB C -11.794 -4.825 -1.151 1.00 . B A . 8 ASN CB 1 1 4 3041 2 2 8 ASN CG C -12.890 -4.075 -0.416 1.00 . B A . 8 ASN CG 1 1 4 3042 2 2 8 ASN H H -10.302 -2.750 -0.805 1.00 . B A . 8 ASN H 1 1 4 3043 2 2 8 ASN HA H -10.638 -5.183 0.614 1.00 . B A . 8 ASN HA 1 1 4 3044 2 2 8 ASN HB2 H -11.649 -4.355 -2.112 1.00 . B A . 8 ASN HB2 1 1 4 3045 2 2 8 ASN HB3 H -12.115 -5.846 -1.299 1.00 . B A . 8 ASN HB3 1 1 4 3046 2 2 8 ASN HD21 H -13.792 -3.586 -2.116 1.00 . B A . 8 ASN HD21 1 1 4 3047 2 2 8 ASN HD22 H -14.535 -3.019 -0.685 1.00 . B A . 8 ASN HD22 1 1 4 3048 2 2 8 ASN N N -9.917 -3.480 -0.267 1.00 . B A . 8 ASN N 1 1 4 3049 2 2 8 ASN ND2 N -13.817 -3.512 -1.137 1.00 . B A . 8 ASN ND2 1 1 4 3050 2 2 8 ASN O O -9.205 -6.839 -0.552 1.00 . B A . 8 ASN O 1 1 4 3051 2 2 8 ASN OD1 O -12.900 -4.009 0.810 1.00 . B A . 8 ASN OD1 1 1 4 3052 2 2 9 LYS C C -6.711 -6.502 -2.048 1.00 . B A . 9 LYS C 1 1 4 3053 2 2 9 LYS CA C -7.914 -6.094 -2.879 1.00 . B A . 9 LYS CA 1 1 4 3054 2 2 9 LYS CB C -7.497 -5.371 -4.169 1.00 . B A . 9 LYS CB 1 1 4 3055 2 2 9 LYS CD C -8.227 -4.453 -6.434 1.00 . B A . 9 LYS CD 1 1 4 3056 2 2 9 LYS CE C -6.971 -4.939 -7.141 1.00 . B A . 9 LYS CE 1 1 4 3057 2 2 9 LYS CG C -8.597 -5.323 -5.229 1.00 . B A . 9 LYS CG 1 1 4 3058 2 2 9 LYS H H -9.073 -4.385 -2.431 1.00 . B A . 9 LYS H 1 1 4 3059 2 2 9 LYS HA H -8.412 -7.013 -3.144 1.00 . B A . 9 LYS HA 1 1 4 3060 2 2 9 LYS HB2 H -7.253 -4.352 -3.903 1.00 . B A . 9 LYS HB2 1 1 4 3061 2 2 9 LYS HB3 H -6.616 -5.827 -4.592 1.00 . B A . 9 LYS HB3 1 1 4 3062 2 2 9 LYS HD2 H -9.044 -4.470 -7.139 1.00 . B A . 9 LYS HD2 1 1 4 3063 2 2 9 LYS HD3 H -8.072 -3.439 -6.095 1.00 . B A . 9 LYS HD3 1 1 4 3064 2 2 9 LYS HE2 H -6.134 -4.818 -6.469 1.00 . B A . 9 LYS HE2 1 1 4 3065 2 2 9 LYS HE3 H -7.085 -5.982 -7.393 1.00 . B A . 9 LYS HE3 1 1 4 3066 2 2 9 LYS HG2 H -8.786 -6.326 -5.579 1.00 . B A . 9 LYS HG2 1 1 4 3067 2 2 9 LYS HG3 H -9.495 -4.930 -4.773 1.00 . B A . 9 LYS HG3 1 1 4 3068 2 2 9 LYS HZ1 H -7.471 -4.302 -9.049 1.00 . B A . 9 LYS HZ1 1 1 4 3069 2 2 9 LYS HZ2 H -5.814 -4.466 -8.825 1.00 . B A . 9 LYS HZ2 1 1 4 3070 2 2 9 LYS HZ3 H -6.643 -3.148 -8.172 1.00 . B A . 9 LYS HZ3 1 1 4 3071 2 2 9 LYS N N -8.869 -5.298 -2.123 1.00 . B A . 9 LYS N 1 1 4 3072 2 2 9 LYS NZ N -6.699 -4.166 -8.367 1.00 . B A . 9 LYS NZ 1 1 4 3073 2 2 9 LYS O O -6.333 -7.663 -2.048 1.00 . B A . 9 LYS O 1 1 4 3074 2 2 10 CYS C C -5.363 -6.730 0.693 1.00 . B A . 10 CYS C 1 1 4 3075 2 2 10 CYS CA C -4.978 -5.887 -0.507 1.00 . B A . 10 CYS CA 1 1 4 3076 2 2 10 CYS CB C -4.309 -4.609 -0.036 1.00 . B A . 10 CYS CB 1 1 4 3077 2 2 10 CYS H H -6.523 -4.671 -1.292 1.00 . B A . 10 CYS H 1 1 4 3078 2 2 10 CYS HA H -4.268 -6.464 -1.090 1.00 . B A . 10 CYS HA 1 1 4 3079 2 2 10 CYS HB2 H -4.281 -3.887 -0.838 1.00 . B A . 10 CYS HB2 1 1 4 3080 2 2 10 CYS HB3 H -4.899 -4.197 0.771 1.00 . B A . 10 CYS HB3 1 1 4 3081 2 2 10 CYS N N -6.153 -5.584 -1.309 1.00 . B A . 10 CYS N 1 1 4 3082 2 2 10 CYS O O -4.573 -7.544 1.171 1.00 . B A . 10 CYS O 1 1 4 3083 2 2 10 CYS SG S -2.621 -4.856 0.593 1.00 . B A . 10 CYS SG 1 1 4 3084 2 2 11 CYS C C -7.328 -8.744 1.926 1.00 . B A . 11 CYS C 1 1 4 3085 2 2 11 CYS CA C -7.038 -7.292 2.297 1.00 . B A . 11 CYS CA 1 1 4 3086 2 2 11 CYS CB C -8.274 -6.632 2.899 1.00 . B A . 11 CYS CB 1 1 4 3087 2 2 11 CYS H H -7.193 -5.932 0.715 1.00 . B A . 11 CYS H 1 1 4 3088 2 2 11 CYS HA H -6.243 -7.275 3.028 1.00 . B A . 11 CYS HA 1 1 4 3089 2 2 11 CYS HB2 H -8.149 -5.560 2.889 1.00 . B A . 11 CYS HB2 1 1 4 3090 2 2 11 CYS HB3 H -9.131 -6.887 2.293 1.00 . B A . 11 CYS HB3 1 1 4 3091 2 2 11 CYS N N -6.585 -6.569 1.147 1.00 . B A . 11 CYS N 1 1 4 3092 2 2 11 CYS O O -7.129 -9.659 2.740 1.00 . B A . 11 CYS O 1 1 4 3093 2 2 11 CYS SG S -8.626 -7.159 4.602 1.00 . B A . 11 CYS SG 1 1 4 3094 2 2 12 HIS C C -6.844 -10.994 -0.332 1.00 . B A . 12 HIS C 1 1 4 3095 2 2 12 HIS CA C -8.069 -10.323 0.260 1.00 . B A . 12 HIS CA 1 1 4 3096 2 2 12 HIS CB C -9.239 -10.369 -0.729 1.00 . B A . 12 HIS CB 1 1 4 3097 2 2 12 HIS CD2 C -11.126 -8.966 0.360 1.00 . B A . 12 HIS CD2 1 1 4 3098 2 2 12 HIS CE1 C -12.637 -10.494 0.560 1.00 . B A . 12 HIS CE1 1 1 4 3099 2 2 12 HIS CG C -10.589 -10.108 -0.119 1.00 . B A . 12 HIS CG 1 1 4 3100 2 2 12 HIS H H -7.931 -8.217 0.083 1.00 . B A . 12 HIS H 1 1 4 3101 2 2 12 HIS HA H -8.348 -10.882 1.141 1.00 . B A . 12 HIS HA 1 1 4 3102 2 2 12 HIS HB2 H -9.077 -9.620 -1.490 1.00 . B A . 12 HIS HB2 1 1 4 3103 2 2 12 HIS HB3 H -9.263 -11.342 -1.197 1.00 . B A . 12 HIS HB3 1 1 4 3104 2 2 12 HIS HD1 H -11.490 -12.010 -0.234 1.00 . B A . 12 HIS HD1 1 1 4 3105 2 2 12 HIS HD2 H -10.622 -8.012 0.407 1.00 . B A . 12 HIS HD2 1 1 4 3106 2 2 12 HIS HE1 H -13.559 -11.012 0.783 1.00 . B A . 12 HIS HE1 1 1 4 3107 2 2 12 HIS N N -7.780 -8.972 0.701 1.00 . B A . 12 HIS N 1 1 4 3108 2 2 12 HIS ND1 N -11.564 -11.065 0.018 1.00 . B A . 12 HIS ND1 1 1 4 3109 2 2 12 HIS NE2 N -12.426 -9.213 0.790 1.00 . B A . 12 HIS NE2 1 1 4 3110 2 2 12 HIS O O -6.373 -11.998 0.185 1.00 . B A . 12 HIS O 1 1 4 3111 2 2 13 VAL C C -3.868 -10.363 -1.717 1.00 . B A . 13 VAL C 1 1 4 3112 2 2 13 VAL CA C -5.185 -11.034 -2.074 1.00 . B A . 13 VAL CA 1 1 4 3113 2 2 13 VAL CB C -5.386 -11.097 -3.615 1.00 . B A . 13 VAL CB 1 1 4 3114 2 2 13 VAL CG1 C -6.496 -12.064 -3.947 1.00 . B A . 13 VAL CG1 1 1 4 3115 2 2 13 VAL CG2 C -5.711 -9.734 -4.229 1.00 . B A . 13 VAL CG2 1 1 4 3116 2 2 13 VAL H H -6.676 -9.573 -1.709 1.00 . B A . 13 VAL H 1 1 4 3117 2 2 13 VAL HA H -5.128 -12.047 -1.706 1.00 . B A . 13 VAL HA 1 1 4 3118 2 2 13 VAL HB H -4.442 -11.436 -4.015 1.00 . B A . 13 VAL HB 1 1 4 3119 2 2 13 VAL HG11 H -6.247 -13.044 -3.573 1.00 . B A . 13 VAL HG11 1 1 4 3120 2 2 13 VAL HG12 H -6.631 -12.103 -5.017 1.00 . B A . 13 VAL HG12 1 1 4 3121 2 2 13 VAL HG13 H -7.409 -11.722 -3.480 1.00 . B A . 13 VAL HG13 1 1 4 3122 2 2 13 VAL HG21 H -5.849 -9.842 -5.296 1.00 . B A . 13 VAL HG21 1 1 4 3123 2 2 13 VAL HG22 H -4.897 -9.050 -4.038 1.00 . B A . 13 VAL HG22 1 1 4 3124 2 2 13 VAL HG23 H -6.616 -9.347 -3.786 1.00 . B A . 13 VAL HG23 1 1 4 3125 2 2 13 VAL N N -6.316 -10.430 -1.390 1.00 . B A . 13 VAL N 1 1 4 3126 2 2 13 VAL O O -2.868 -11.027 -1.406 1.00 . B A . 13 VAL O 1 1 4 3127 2 2 14 GLY C C -2.526 -7.193 -2.367 1.00 . B A . 14 GLY C 1 1 4 3128 2 2 14 GLY CA C -2.714 -8.324 -1.426 1.00 . B A . 14 GLY CA 1 1 4 3129 2 2 14 GLY H H -4.673 -8.633 -2.102 1.00 . B A . 14 GLY H 1 1 4 3130 2 2 14 GLY HA2 H -2.823 -7.933 -0.425 1.00 . B A . 14 GLY HA2 1 1 4 3131 2 2 14 GLY HA3 H -1.836 -8.940 -1.446 1.00 . B A . 14 GLY HA3 1 1 4 3132 2 2 14 GLY N N -3.867 -9.082 -1.769 1.00 . B A . 14 GLY N 1 1 4 3133 2 2 14 GLY O O -3.271 -7.068 -3.352 1.00 . B A . 14 GLY O 1 1 4 3134 2 2 15 CYS C C 0.108 -4.977 -3.071 1.00 . B A . 15 CYS C 1 1 4 3135 2 2 15 CYS CA C -1.347 -5.220 -2.892 1.00 . B A . 15 CYS CA 1 1 4 3136 2 2 15 CYS CB C -2.007 -3.989 -2.292 1.00 . B A . 15 CYS CB 1 1 4 3137 2 2 15 CYS H H -1.024 -6.511 -1.290 1.00 . B A . 15 CYS H 1 1 4 3138 2 2 15 CYS HA H -1.798 -5.400 -3.855 1.00 . B A . 15 CYS HA 1 1 4 3139 2 2 15 CYS HB2 H -1.728 -3.139 -2.900 1.00 . B A . 15 CYS HB2 1 1 4 3140 2 2 15 CYS HB3 H -3.074 -4.117 -2.346 1.00 . B A . 15 CYS HB3 1 1 4 3141 2 2 15 CYS N N -1.587 -6.363 -2.084 1.00 . B A . 15 CYS N 1 1 4 3142 2 2 15 CYS O O 0.935 -5.350 -2.224 1.00 . B A . 15 CYS O 1 1 4 3143 2 2 15 CYS SG S -1.518 -3.610 -0.562 1.00 . B A . 15 CYS SG 1 1 4 3144 2 2 16 THR C C 2.043 -2.674 -3.856 1.00 . B A . 16 THR C 1 1 4 3145 2 2 16 THR CA C 1.740 -4.020 -4.467 1.00 . B A . 16 THR CA 1 1 4 3146 2 2 16 THR CB C 1.941 -4.027 -5.984 1.00 . B A . 16 THR CB 1 1 4 3147 2 2 16 THR CG2 C 2.176 -5.441 -6.492 1.00 . B A . 16 THR CG2 1 1 4 3148 2 2 16 THR H H -0.263 -4.100 -4.800 1.00 . B A . 16 THR H 1 1 4 3149 2 2 16 THR HA H 2.391 -4.756 -4.025 1.00 . B A . 16 THR HA 1 1 4 3150 2 2 16 THR HB H 2.792 -3.413 -6.225 1.00 . B A . 16 THR HB 1 1 4 3151 2 2 16 THR HG1 H 0.574 -3.983 -7.399 1.00 . B A . 16 THR HG1 1 1 4 3152 2 2 16 THR HG21 H 2.330 -5.419 -7.559 1.00 . B A . 16 THR HG21 1 1 4 3153 2 2 16 THR HG22 H 1.319 -6.056 -6.261 1.00 . B A . 16 THR HG22 1 1 4 3154 2 2 16 THR HG23 H 3.054 -5.851 -6.014 1.00 . B A . 16 THR HG23 1 1 4 3155 2 2 16 THR N N 0.424 -4.371 -4.158 1.00 . B A . 16 THR N 1 1 4 3156 2 2 16 THR O O 1.174 -1.819 -3.765 1.00 . B A . 16 THR O 1 1 4 3157 2 2 16 THR OG1 O 0.785 -3.460 -6.618 1.00 . B A . 16 THR OG1 1 1 4 3158 2 2 17 LYS C C 3.529 -0.055 -3.645 1.00 . B A . 17 LYS C 1 1 4 3159 2 2 17 LYS CA C 3.656 -1.275 -2.721 1.00 . B A . 17 LYS CA 1 1 4 3160 2 2 17 LYS CB C 5.072 -1.456 -2.183 1.00 . B A . 17 LYS CB 1 1 4 3161 2 2 17 LYS CD C 4.560 -1.277 0.270 1.00 . B A . 17 LYS CD 1 1 4 3162 2 2 17 LYS CE C 4.976 -0.707 1.621 1.00 . B A . 17 LYS CE 1 1 4 3163 2 2 17 LYS CG C 5.391 -0.716 -0.888 1.00 . B A . 17 LYS CG 1 1 4 3164 2 2 17 LYS H H 3.872 -3.238 -3.574 1.00 . B A . 17 LYS H 1 1 4 3165 2 2 17 LYS HA H 2.972 -1.109 -1.897 1.00 . B A . 17 LYS HA 1 1 4 3166 2 2 17 LYS HB2 H 5.123 -2.508 -1.958 1.00 . B A . 17 LYS HB2 1 1 4 3167 2 2 17 LYS HB3 H 5.826 -1.234 -2.924 1.00 . B A . 17 LYS HB3 1 1 4 3168 2 2 17 LYS HD2 H 3.520 -1.037 0.110 1.00 . B A . 17 LYS HD2 1 1 4 3169 2 2 17 LYS HD3 H 4.677 -2.350 0.293 1.00 . B A . 17 LYS HD3 1 1 4 3170 2 2 17 LYS HE2 H 4.874 0.367 1.593 1.00 . B A . 17 LYS HE2 1 1 4 3171 2 2 17 LYS HE3 H 4.323 -1.109 2.383 1.00 . B A . 17 LYS HE3 1 1 4 3172 2 2 17 LYS HG2 H 6.440 -0.844 -0.664 1.00 . B A . 17 LYS HG2 1 1 4 3173 2 2 17 LYS HG3 H 5.166 0.333 -1.013 1.00 . B A . 17 LYS HG3 1 1 4 3174 2 2 17 LYS HZ1 H 6.556 -2.070 1.840 1.00 . B A . 17 LYS HZ1 1 1 4 3175 2 2 17 LYS HZ2 H 6.594 -0.782 2.940 1.00 . B A . 17 LYS HZ2 1 1 4 3176 2 2 17 LYS HZ3 H 7.032 -0.515 1.352 1.00 . B A . 17 LYS HZ3 1 1 4 3177 2 2 17 LYS N N 3.248 -2.494 -3.424 1.00 . B A . 17 LYS N 1 1 4 3178 2 2 17 LYS NZ N 6.375 -1.045 1.957 1.00 . B A . 17 LYS NZ 1 1 4 3179 2 2 17 LYS O O 3.206 1.033 -3.196 1.00 . B A . 17 LYS O 1 1 4 3180 2 2 18 ARG C C 2.032 1.162 -6.033 1.00 . B A . 18 ARG C 1 1 4 3181 2 2 18 ARG CA C 3.501 0.766 -5.969 1.00 . B A . 18 ARG CA 1 1 4 3182 2 2 18 ARG CB C 3.959 0.273 -7.342 1.00 . B A . 18 ARG CB 1 1 4 3183 2 2 18 ARG CD C 5.945 1.704 -7.915 1.00 . B A . 18 ARG CD 1 1 4 3184 2 2 18 ARG CG C 5.460 0.303 -7.546 1.00 . B A . 18 ARG CG 1 1 4 3185 2 2 18 ARG CZ C 5.584 3.336 -9.780 1.00 . B A . 18 ARG CZ 1 1 4 3186 2 2 18 ARG H H 4.010 -1.171 -5.231 1.00 . B A . 18 ARG H 1 1 4 3187 2 2 18 ARG HA H 4.086 1.629 -5.689 1.00 . B A . 18 ARG HA 1 1 4 3188 2 2 18 ARG HB2 H 3.617 -0.742 -7.476 1.00 . B A . 18 ARG HB2 1 1 4 3189 2 2 18 ARG HB3 H 3.502 0.894 -8.099 1.00 . B A . 18 ARG HB3 1 1 4 3190 2 2 18 ARG HD2 H 5.580 2.410 -7.185 1.00 . B A . 18 ARG HD2 1 1 4 3191 2 2 18 ARG HD3 H 7.024 1.715 -7.923 1.00 . B A . 18 ARG HD3 1 1 4 3192 2 2 18 ARG HE H 5.070 1.379 -9.778 1.00 . B A . 18 ARG HE 1 1 4 3193 2 2 18 ARG HG2 H 5.934 -0.007 -6.627 1.00 . B A . 18 ARG HG2 1 1 4 3194 2 2 18 ARG HG3 H 5.726 -0.386 -8.333 1.00 . B A . 18 ARG HG3 1 1 4 3195 2 2 18 ARG HH11 H 6.362 4.226 -8.112 1.00 . B A . 18 ARG HH11 1 1 4 3196 2 2 18 ARG HH12 H 6.159 5.267 -9.443 1.00 . B A . 18 ARG HH12 1 1 4 3197 2 2 18 ARG HH21 H 4.800 2.826 -11.594 1.00 . B A . 18 ARG HH21 1 1 4 3198 2 2 18 ARG HH22 H 5.247 4.462 -11.446 1.00 . B A . 18 ARG HH22 1 1 4 3199 2 2 18 ARG N N 3.715 -0.277 -4.949 1.00 . B A . 18 ARG N 1 1 4 3200 2 2 18 ARG NE N 5.468 2.107 -9.247 1.00 . B A . 18 ARG NE 1 1 4 3201 2 2 18 ARG NH1 N 6.070 4.343 -9.062 1.00 . B A . 18 ARG NH1 1 1 4 3202 2 2 18 ARG NH2 N 5.189 3.553 -11.022 1.00 . B A . 18 ARG NH2 1 1 4 3203 2 2 18 ARG O O 1.696 2.274 -6.396 1.00 . B A . 18 ARG O 1 1 4 3204 2 2 19 SER C C -0.648 1.361 -4.490 1.00 . B A . 19 SER C 1 1 4 3205 2 2 19 SER CA C -0.239 0.461 -5.651 1.00 . B A . 19 SER CA 1 1 4 3206 2 2 19 SER CB C -0.947 -0.897 -5.598 1.00 . B A . 19 SER CB 1 1 4 3207 2 2 19 SER H H 1.514 -0.592 -5.267 1.00 . B A . 19 SER H 1 1 4 3208 2 2 19 SER HA H -0.491 0.952 -6.578 1.00 . B A . 19 SER HA 1 1 4 3209 2 2 19 SER HB2 H -0.638 -1.467 -6.460 1.00 . B A . 19 SER HB2 1 1 4 3210 2 2 19 SER HB3 H -0.630 -1.439 -4.716 1.00 . B A . 19 SER HB3 1 1 4 3211 2 2 19 SER HG H -2.671 -1.625 -5.245 1.00 . B A . 19 SER HG 1 1 4 3212 2 2 19 SER N N 1.180 0.257 -5.628 1.00 . B A . 19 SER N 1 1 4 3213 2 2 19 SER O O -1.392 2.321 -4.676 1.00 . B A . 19 SER O 1 1 4 3214 2 2 19 SER OG O -2.354 -0.791 -5.614 1.00 . B A . 19 SER OG 1 1 4 3215 2 2 20 LEU C C 0.193 3.300 -2.355 1.00 . B A . 20 LEU C 1 1 4 3216 2 2 20 LEU CA C -0.457 1.969 -2.157 1.00 . B A . 20 LEU CA 1 1 4 3217 2 2 20 LEU CB C -0.088 1.433 -0.754 1.00 . B A . 20 LEU CB 1 1 4 3218 2 2 20 LEU CD1 C 0.586 -0.970 -0.920 1.00 . B A . 20 LEU CD1 1 1 4 3219 2 2 20 LEU CD2 C -0.567 -0.166 1.095 1.00 . B A . 20 LEU CD2 1 1 4 3220 2 2 20 LEU CG C -0.444 -0.011 -0.395 1.00 . B A . 20 LEU CG 1 1 4 3221 2 2 20 LEU H H 0.473 0.321 -3.200 1.00 . B A . 20 LEU H 1 1 4 3222 2 2 20 LEU HA H -1.512 2.183 -2.201 1.00 . B A . 20 LEU HA 1 1 4 3223 2 2 20 LEU HB2 H 0.936 1.656 -0.500 1.00 . B A . 20 LEU HB2 1 1 4 3224 2 2 20 LEU HB3 H -0.667 2.051 -0.087 1.00 . B A . 20 LEU HB3 1 1 4 3225 2 2 20 LEU HD11 H 0.307 -1.978 -0.647 1.00 . B A . 20 LEU HD11 1 1 4 3226 2 2 20 LEU HD12 H 1.539 -0.732 -0.476 1.00 . B A . 20 LEU HD12 1 1 4 3227 2 2 20 LEU HD13 H 0.652 -0.894 -1.995 1.00 . B A . 20 LEU HD13 1 1 4 3228 2 2 20 LEU HD21 H -1.310 0.515 1.482 1.00 . B A . 20 LEU HD21 1 1 4 3229 2 2 20 LEU HD22 H 0.397 0.059 1.529 1.00 . B A . 20 LEU HD22 1 1 4 3230 2 2 20 LEU HD23 H -0.840 -1.185 1.323 1.00 . B A . 20 LEU HD23 1 1 4 3231 2 2 20 LEU HG H -1.394 -0.263 -0.838 1.00 . B A . 20 LEU HG 1 1 4 3232 2 2 20 LEU N N -0.119 1.099 -3.290 1.00 . B A . 20 LEU N 1 1 4 3233 2 2 20 LEU O O -0.333 4.313 -1.930 1.00 . B A . 20 LEU O 1 1 4 3234 2 2 21 ALA C C 1.247 5.369 -4.295 1.00 . B A . 21 ALA C 1 1 4 3235 2 2 21 ALA CA C 2.053 4.492 -3.358 1.00 . B A . 21 ALA CA 1 1 4 3236 2 2 21 ALA CB C 3.393 4.152 -3.983 1.00 . B A . 21 ALA CB 1 1 4 3237 2 2 21 ALA H H 1.653 2.399 -3.298 1.00 . B A . 21 ALA H 1 1 4 3238 2 2 21 ALA HA H 2.224 5.036 -2.441 1.00 . B A . 21 ALA HA 1 1 4 3239 2 2 21 ALA HB1 H 3.947 3.496 -3.329 1.00 . B A . 21 ALA HB1 1 1 4 3240 2 2 21 ALA HB2 H 3.955 5.059 -4.144 1.00 . B A . 21 ALA HB2 1 1 4 3241 2 2 21 ALA HB3 H 3.227 3.659 -4.929 1.00 . B A . 21 ALA HB3 1 1 4 3242 2 2 21 ALA N N 1.314 3.283 -3.031 1.00 . B A . 21 ALA N 1 1 4 3243 2 2 21 ALA O O 1.245 6.587 -4.166 1.00 . B A . 21 ALA O 1 1 4 3244 2 2 22 ARG C C -1.440 6.165 -5.501 1.00 . B A . 22 ARG C 1 1 4 3245 2 2 22 ARG CA C -0.292 5.410 -6.189 1.00 . B A . 22 ARG CA 1 1 4 3246 2 2 22 ARG CB C -0.845 4.381 -7.185 1.00 . B A . 22 ARG CB 1 1 4 3247 2 2 22 ARG CD C -0.968 5.868 -9.253 1.00 . B A . 22 ARG CD 1 1 4 3248 2 2 22 ARG CG C -1.728 4.939 -8.299 1.00 . B A . 22 ARG CG 1 1 4 3249 2 2 22 ARG CZ C 0.571 7.777 -8.711 1.00 . B A . 22 ARG CZ 1 1 4 3250 2 2 22 ARG H H 0.614 3.753 -5.260 1.00 . B A . 22 ARG H 1 1 4 3251 2 2 22 ARG HA H 0.323 6.117 -6.728 1.00 . B A . 22 ARG HA 1 1 4 3252 2 2 22 ARG HB2 H -0.014 3.873 -7.650 1.00 . B A . 22 ARG HB2 1 1 4 3253 2 2 22 ARG HB3 H -1.421 3.654 -6.631 1.00 . B A . 22 ARG HB3 1 1 4 3254 2 2 22 ARG HD2 H -0.058 5.377 -9.565 1.00 . B A . 22 ARG HD2 1 1 4 3255 2 2 22 ARG HD3 H -1.589 6.037 -10.118 1.00 . B A . 22 ARG HD3 1 1 4 3256 2 2 22 ARG HE H -1.373 7.642 -8.212 1.00 . B A . 22 ARG HE 1 1 4 3257 2 2 22 ARG HG2 H -2.160 4.123 -8.858 1.00 . B A . 22 ARG HG2 1 1 4 3258 2 2 22 ARG HG3 H -2.510 5.498 -7.807 1.00 . B A . 22 ARG HG3 1 1 4 3259 2 2 22 ARG HH11 H 1.572 6.204 -9.567 1.00 . B A . 22 ARG HH11 1 1 4 3260 2 2 22 ARG HH12 H 2.523 7.573 -9.284 1.00 . B A . 22 ARG HH12 1 1 4 3261 2 2 22 ARG HH21 H -0.056 9.505 -7.815 1.00 . B A . 22 ARG HH21 1 1 4 3262 2 2 22 ARG HH22 H 1.596 9.485 -8.248 1.00 . B A . 22 ARG HH22 1 1 4 3263 2 2 22 ARG N N 0.545 4.732 -5.213 1.00 . B A . 22 ARG N 1 1 4 3264 2 2 22 ARG NE N -0.625 7.174 -8.653 1.00 . B A . 22 ARG NE 1 1 4 3265 2 2 22 ARG NH1 N 1.620 7.143 -9.216 1.00 . B A . 22 ARG NH1 1 1 4 3266 2 2 22 ARG NH2 N 0.715 9.006 -8.225 1.00 . B A . 22 ARG NH2 1 1 4 3267 2 2 22 ARG O O -1.935 7.180 -5.998 1.00 . B A . 22 ARG O 1 1 4 3268 2 2 23 PHE C C -2.394 7.209 -2.543 1.00 . B A . 23 PHE C 1 1 4 3269 2 2 23 PHE CA C -2.918 6.306 -3.636 1.00 . B A . 23 PHE CA 1 1 4 3270 2 2 23 PHE CB C -3.916 5.277 -3.105 1.00 . B A . 23 PHE CB 1 1 4 3271 2 2 23 PHE CD1 C -5.834 5.187 -4.702 1.00 . B A . 23 PHE CD1 1 1 4 3272 2 2 23 PHE CD2 C -4.275 3.395 -4.731 1.00 . B A . 23 PHE CD2 1 1 4 3273 2 2 23 PHE CE1 C -6.546 4.588 -5.711 1.00 . B A . 23 PHE CE1 1 1 4 3274 2 2 23 PHE CE2 C -4.984 2.786 -5.746 1.00 . B A . 23 PHE CE2 1 1 4 3275 2 2 23 PHE CG C -4.693 4.601 -4.198 1.00 . B A . 23 PHE CG 1 1 4 3276 2 2 23 PHE CZ C -6.122 3.384 -6.238 1.00 . B A . 23 PHE CZ 1 1 4 3277 2 2 23 PHE H H -1.406 4.864 -4.052 1.00 . B A . 23 PHE H 1 1 4 3278 2 2 23 PHE HA H -3.431 6.944 -4.333 1.00 . B A . 23 PHE HA 1 1 4 3279 2 2 23 PHE HB2 H -3.383 4.518 -2.552 1.00 . B A . 23 PHE HB2 1 1 4 3280 2 2 23 PHE HB3 H -4.619 5.768 -2.448 1.00 . B A . 23 PHE HB3 1 1 4 3281 2 2 23 PHE HD1 H -6.169 6.129 -4.293 1.00 . B A . 23 PHE HD1 1 1 4 3282 2 2 23 PHE HD2 H -3.381 2.929 -4.345 1.00 . B A . 23 PHE HD2 1 1 4 3283 2 2 23 PHE HE1 H -7.436 5.067 -6.092 1.00 . B A . 23 PHE HE1 1 1 4 3284 2 2 23 PHE HE2 H -4.646 1.845 -6.152 1.00 . B A . 23 PHE HE2 1 1 4 3285 2 2 23 PHE HZ H -6.681 2.913 -7.032 1.00 . B A . 23 PHE HZ 1 1 4 3286 2 2 23 PHE N N -1.852 5.674 -4.373 1.00 . B A . 23 PHE N 1 1 4 3287 2 2 23 PHE O O -2.661 8.406 -2.550 1.00 . B A . 23 PHE O 1 1 4 3288 2 2 24 CYS C C -2.089 8.098 0.332 1.00 . B A . 24 CYS C 1 1 4 3289 2 2 24 CYS CA C -1.038 7.292 -0.483 1.00 . B A . 24 CYS CA 1 1 4 3290 2 2 24 CYS CB C 0.190 8.150 -0.891 1.00 . B A . 24 CYS CB 1 1 4 3291 2 2 24 CYS H H -1.437 5.677 -1.811 1.00 . B A . 24 CYS H 1 1 4 3292 2 2 24 CYS HA H -0.700 6.485 0.151 1.00 . B A . 24 CYS HA 1 1 4 3293 2 2 24 CYS HB2 H 0.885 7.527 -1.433 1.00 . B A . 24 CYS HB2 1 1 4 3294 2 2 24 CYS HB3 H -0.142 8.947 -1.539 1.00 . B A . 24 CYS HB3 1 1 4 3295 2 2 24 CYS N N -1.636 6.628 -1.654 1.00 . B A . 24 CYS N 1 1 4 3296 2 2 24 CYS O O -2.931 7.516 1.017 1.00 . B A . 24 CYS O 1 1 4 3297 2 2 24 CYS SG S 1.112 8.907 0.509 1.00 . B A . 24 CYS SG 1 1 4 3298 2 2 25 NH2 HN1 H -1.398 9.834 -0.336 1.00 . B A . 25 NH2 HN1 1 1 4 3299 2 2 25 NH2 HN2 H -2.768 9.926 0.704 1.00 . B A . 25 NH2 HN2 1 1 4 3300 2 2 25 NH2 N N -2.087 9.413 0.221 1.00 . B A . 25 NH2 N 1 1 5 3301 1 1 1 ASP C C 11.585 -1.393 -1.157 1.00 . A B . 1 ASP C 1 1 5 3302 1 1 1 ASP CA C 11.760 -1.562 0.337 1.00 . A B . 1 ASP CA 1 1 5 3303 1 1 1 ASP CB C 13.121 -1.002 0.704 1.00 . A B . 1 ASP CB 1 1 5 3304 1 1 1 ASP CG C 14.242 -1.679 -0.026 1.00 . A B . 1 ASP CG 1 1 5 3305 1 1 1 ASP H1 H 11.662 -3.068 1.766 1.00 . A B . 1 ASP H1 1 1 5 3306 1 1 1 ASP H2 H 12.433 -3.541 0.368 1.00 . A B . 1 ASP H2 1 1 5 3307 1 1 1 ASP H3 H 10.734 -3.371 0.387 1.00 . A B . 1 ASP H3 1 1 5 3308 1 1 1 ASP HA H 10.997 -0.993 0.846 1.00 . A B . 1 ASP HA 1 1 5 3309 1 1 1 ASP HB2 H 13.106 0.007 0.331 1.00 . A B . 1 ASP HB2 1 1 5 3310 1 1 1 ASP HB3 H 13.292 -1.032 1.770 1.00 . A B . 1 ASP HB3 1 1 5 3311 1 1 1 ASP N N 11.640 -2.977 0.732 1.00 . A B . 1 ASP N 1 1 5 3312 1 1 1 ASP O O 11.295 -0.296 -1.619 1.00 . A B . 1 ASP O 1 1 5 3313 1 1 1 ASP OD1 O 14.627 -2.783 0.375 1.00 . A B . 1 ASP OD1 1 1 5 3314 1 1 1 ASP OD2 O 14.736 -1.118 -1.032 1.00 . A B . 1 ASP OD2 1 1 5 3315 1 1 2 SER C C 10.297 -1.976 -3.749 1.00 . A B . 2 SER C 1 1 5 3316 1 1 2 SER CA C 11.676 -2.481 -3.345 1.00 . A B . 2 SER CA 1 1 5 3317 1 1 2 SER CB C 11.946 -3.894 -3.855 1.00 . A B . 2 SER CB 1 1 5 3318 1 1 2 SER H H 12.190 -3.255 -1.464 1.00 . A B . 2 SER H 1 1 5 3319 1 1 2 SER HA H 12.417 -1.814 -3.763 1.00 . A B . 2 SER HA 1 1 5 3320 1 1 2 SER HB2 H 11.568 -3.990 -4.862 1.00 . A B . 2 SER HB2 1 1 5 3321 1 1 2 SER HB3 H 13.010 -4.067 -3.847 1.00 . A B . 2 SER HB3 1 1 5 3322 1 1 2 SER HG H 10.382 -4.919 -3.351 1.00 . A B . 2 SER HG 1 1 5 3323 1 1 2 SER N N 11.841 -2.453 -1.900 1.00 . A B . 2 SER N 1 1 5 3324 1 1 2 SER O O 9.280 -2.550 -3.390 1.00 . A B . 2 SER O 1 1 5 3325 1 1 2 SER OG O 11.298 -4.867 -3.038 1.00 . A B . 2 SER OG 1 1 5 3326 1 1 3 TRP C C 8.310 -0.855 -5.932 1.00 . A B . 3 TRP C 1 1 5 3327 1 1 3 TRP CA C 9.050 -0.224 -4.782 1.00 . A B . 3 TRP CA 1 1 5 3328 1 1 3 TRP CB C 9.297 1.266 -5.043 1.00 . A B . 3 TRP CB 1 1 5 3329 1 1 3 TRP CD1 C 11.076 2.549 -3.712 1.00 . A B . 3 TRP CD1 1 1 5 3330 1 1 3 TRP CD2 C 9.185 2.169 -2.604 1.00 . A B . 3 TRP CD2 1 1 5 3331 1 1 3 TRP CE2 C 10.061 2.875 -1.761 1.00 . A B . 3 TRP CE2 1 1 5 3332 1 1 3 TRP CE3 C 7.936 1.813 -2.126 1.00 . A B . 3 TRP CE3 1 1 5 3333 1 1 3 TRP CG C 9.847 1.983 -3.849 1.00 . A B . 3 TRP CG 1 1 5 3334 1 1 3 TRP CH2 C 8.479 2.858 -0.026 1.00 . A B . 3 TRP CH2 1 1 5 3335 1 1 3 TRP CZ2 C 9.716 3.230 -0.462 1.00 . A B . 3 TRP CZ2 1 1 5 3336 1 1 3 TRP CZ3 C 7.599 2.155 -0.849 1.00 . A B . 3 TRP CZ3 1 1 5 3337 1 1 3 TRP H H 11.143 -0.560 -4.799 1.00 . A B . 3 TRP H 1 1 5 3338 1 1 3 TRP HA H 8.424 -0.299 -3.905 1.00 . A B . 3 TRP HA 1 1 5 3339 1 1 3 TRP HB2 H 10.004 1.372 -5.853 1.00 . A B . 3 TRP HB2 1 1 5 3340 1 1 3 TRP HB3 H 8.365 1.737 -5.320 1.00 . A B . 3 TRP HB3 1 1 5 3341 1 1 3 TRP HD1 H 11.831 2.575 -4.484 1.00 . A B . 3 TRP HD1 1 1 5 3342 1 1 3 TRP HE1 H 11.994 3.567 -2.105 1.00 . A B . 3 TRP HE1 1 1 5 3343 1 1 3 TRP HE3 H 7.235 1.269 -2.741 1.00 . A B . 3 TRP HE3 1 1 5 3344 1 1 3 TRP HH2 H 8.160 3.102 0.976 1.00 . A B . 3 TRP HH2 1 1 5 3345 1 1 3 TRP HZ2 H 10.384 3.776 0.187 1.00 . A B . 3 TRP HZ2 1 1 5 3346 1 1 3 TRP HZ3 H 6.628 1.867 -0.481 1.00 . A B . 3 TRP HZ3 1 1 5 3347 1 1 3 TRP N N 10.283 -0.899 -4.471 1.00 . A B . 3 TRP N 1 1 5 3348 1 1 3 TRP NE1 N 11.206 3.098 -2.461 1.00 . A B . 3 TRP NE1 1 1 5 3349 1 1 3 TRP O O 7.091 -1.029 -5.872 1.00 . A B . 3 TRP O 1 1 5 3350 1 1 4 MET C C 7.898 -3.136 -7.956 1.00 . A B . 4 MET C 1 1 5 3351 1 1 4 MET CA C 8.424 -1.737 -8.166 1.00 . A B . 4 MET CA 1 1 5 3352 1 1 4 MET CB C 9.403 -1.677 -9.342 1.00 . A B . 4 MET CB 1 1 5 3353 1 1 4 MET CE C 9.882 2.455 -9.640 1.00 . A B . 4 MET CE 1 1 5 3354 1 1 4 MET CG C 10.038 -0.305 -9.512 1.00 . A B . 4 MET CG 1 1 5 3355 1 1 4 MET H H 10.016 -1.231 -6.866 1.00 . A B . 4 MET H 1 1 5 3356 1 1 4 MET HA H 7.583 -1.093 -8.378 1.00 . A B . 4 MET HA 1 1 5 3357 1 1 4 MET HB2 H 10.185 -2.406 -9.191 1.00 . A B . 4 MET HB2 1 1 5 3358 1 1 4 MET HB3 H 8.871 -1.917 -10.249 1.00 . A B . 4 MET HB3 1 1 5 3359 1 1 4 MET HE1 H 9.284 3.348 -9.743 1.00 . A B . 4 MET HE1 1 1 5 3360 1 1 4 MET HE2 H 10.585 2.394 -10.457 1.00 . A B . 4 MET HE2 1 1 5 3361 1 1 4 MET HE3 H 10.419 2.490 -8.704 1.00 . A B . 4 MET HE3 1 1 5 3362 1 1 4 MET HG2 H 10.661 -0.103 -8.653 1.00 . A B . 4 MET HG2 1 1 5 3363 1 1 4 MET HG3 H 10.649 -0.312 -10.403 1.00 . A B . 4 MET HG3 1 1 5 3364 1 1 4 MET N N 9.038 -1.242 -6.947 1.00 . A B . 4 MET N 1 1 5 3365 1 1 4 MET O O 6.878 -3.538 -8.545 1.00 . A B . 4 MET O 1 1 5 3366 1 1 4 MET SD S 8.813 1.018 -9.657 1.00 . A B . 4 MET SD 1 1 5 3367 1 1 5 GLU C C 8.169 -5.436 -5.303 1.00 . A B . 5 GLU C 1 1 5 3368 1 1 5 GLU CA C 8.110 -5.177 -6.796 1.00 . A B . 5 GLU CA 1 1 5 3369 1 1 5 GLU CB C 8.860 -6.246 -7.577 1.00 . A B . 5 GLU CB 1 1 5 3370 1 1 5 GLU CD C 9.011 -8.669 -8.174 1.00 . A B . 5 GLU CD 1 1 5 3371 1 1 5 GLU CG C 8.314 -7.640 -7.353 1.00 . A B . 5 GLU CG 1 1 5 3372 1 1 5 GLU H H 9.375 -3.518 -6.693 1.00 . A B . 5 GLU H 1 1 5 3373 1 1 5 GLU HA H 7.070 -5.216 -7.086 1.00 . A B . 5 GLU HA 1 1 5 3374 1 1 5 GLU HB2 H 8.801 -6.020 -8.632 1.00 . A B . 5 GLU HB2 1 1 5 3375 1 1 5 GLU HB3 H 9.895 -6.237 -7.269 1.00 . A B . 5 GLU HB3 1 1 5 3376 1 1 5 GLU HG2 H 8.438 -7.894 -6.311 1.00 . A B . 5 GLU HG2 1 1 5 3377 1 1 5 GLU HG3 H 7.262 -7.645 -7.601 1.00 . A B . 5 GLU HG3 1 1 5 3378 1 1 5 GLU N N 8.562 -3.872 -7.114 1.00 . A B . 5 GLU N 1 1 5 3379 1 1 5 GLU O O 9.239 -5.686 -4.738 1.00 . A B . 5 GLU O 1 1 5 3380 1 1 5 GLU OE1 O 8.594 -8.905 -9.331 1.00 . A B . 5 GLU OE1 1 1 5 3381 1 1 5 GLU OE2 O 9.980 -9.275 -7.694 1.00 . A B . 5 GLU OE2 1 1 5 3382 1 1 6 GLU C C 5.374 -5.850 -3.159 1.00 . A B . 6 GLU C 1 1 5 3383 1 1 6 GLU CA C 6.848 -5.661 -3.304 1.00 . A B . 6 GLU CA 1 1 5 3384 1 1 6 GLU CB C 7.308 -4.600 -2.308 1.00 . A B . 6 GLU CB 1 1 5 3385 1 1 6 GLU CD C 7.983 -4.124 0.093 1.00 . A B . 6 GLU CD 1 1 5 3386 1 1 6 GLU CG C 7.578 -5.163 -0.918 1.00 . A B . 6 GLU CG 1 1 5 3387 1 1 6 GLU H H 6.268 -4.912 -5.138 1.00 . A B . 6 GLU H 1 1 5 3388 1 1 6 GLU HA H 7.352 -6.600 -3.126 1.00 . A B . 6 GLU HA 1 1 5 3389 1 1 6 GLU HB2 H 8.155 -4.039 -2.668 1.00 . A B . 6 GLU HB2 1 1 5 3390 1 1 6 GLU HB3 H 6.465 -3.936 -2.200 1.00 . A B . 6 GLU HB3 1 1 5 3391 1 1 6 GLU HG2 H 6.682 -5.649 -0.562 1.00 . A B . 6 GLU HG2 1 1 5 3392 1 1 6 GLU HG3 H 8.367 -5.896 -0.998 1.00 . A B . 6 GLU HG3 1 1 5 3393 1 1 6 GLU N N 7.043 -5.290 -4.673 1.00 . A B . 6 GLU N 1 1 5 3394 1 1 6 GLU O O 4.590 -5.162 -3.838 1.00 . A B . 6 GLU O 1 1 5 3395 1 1 6 GLU OE1 O 9.177 -3.801 0.201 1.00 . A B . 6 GLU OE1 1 1 5 3396 1 1 6 GLU OE2 O 7.123 -3.648 0.846 1.00 . A B . 6 GLU OE2 1 1 5 3397 1 1 7 VAL C C 3.376 -7.447 -0.670 1.00 . A B . 7 VAL C 1 1 5 3398 1 1 7 VAL CA C 3.613 -7.069 -2.122 1.00 . A B . 7 VAL CA 1 1 5 3399 1 1 7 VAL CB C 3.157 -8.214 -3.104 1.00 . A B . 7 VAL CB 1 1 5 3400 1 1 7 VAL CG1 C 3.992 -9.480 -2.944 1.00 . A B . 7 VAL CG1 1 1 5 3401 1 1 7 VAL CG2 C 1.671 -8.526 -2.953 1.00 . A B . 7 VAL CG2 1 1 5 3402 1 1 7 VAL H H 5.682 -7.143 -1.747 1.00 . A B . 7 VAL H 1 1 5 3403 1 1 7 VAL HA H 3.036 -6.180 -2.334 1.00 . A B . 7 VAL HA 1 1 5 3404 1 1 7 VAL HB H 3.324 -7.852 -4.108 1.00 . A B . 7 VAL HB 1 1 5 3405 1 1 7 VAL HG11 H 5.026 -9.255 -3.155 1.00 . A B . 7 VAL HG11 1 1 5 3406 1 1 7 VAL HG12 H 3.639 -10.236 -3.629 1.00 . A B . 7 VAL HG12 1 1 5 3407 1 1 7 VAL HG13 H 3.904 -9.841 -1.931 1.00 . A B . 7 VAL HG13 1 1 5 3408 1 1 7 VAL HG21 H 1.468 -8.840 -1.940 1.00 . A B . 7 VAL HG21 1 1 5 3409 1 1 7 VAL HG22 H 1.401 -9.318 -3.636 1.00 . A B . 7 VAL HG22 1 1 5 3410 1 1 7 VAL HG23 H 1.089 -7.643 -3.176 1.00 . A B . 7 VAL HG23 1 1 5 3411 1 1 7 VAL N N 4.994 -6.728 -2.310 1.00 . A B . 7 VAL N 1 1 5 3412 1 1 7 VAL O O 4.189 -8.160 -0.056 1.00 . A B . 7 VAL O 1 1 5 3413 1 1 8 ILE C C 0.483 -7.472 1.347 1.00 . A B . 8 ILE C 1 1 5 3414 1 1 8 ILE CA C 1.963 -7.200 1.265 1.00 . A B . 8 ILE CA 1 1 5 3415 1 1 8 ILE CB C 2.324 -6.037 2.270 1.00 . A B . 8 ILE CB 1 1 5 3416 1 1 8 ILE CD1 C 2.104 -3.954 0.700 1.00 . A B . 8 ILE CD1 1 1 5 3417 1 1 8 ILE CG1 C 1.621 -4.677 1.949 1.00 . A B . 8 ILE CG1 1 1 5 3418 1 1 8 ILE CG2 C 3.826 -5.859 2.406 1.00 . A B . 8 ILE CG2 1 1 5 3419 1 1 8 ILE H H 1.721 -6.368 -0.643 1.00 . A B . 8 ILE H 1 1 5 3420 1 1 8 ILE HA H 2.488 -8.097 1.565 1.00 . A B . 8 ILE HA 1 1 5 3421 1 1 8 ILE HB H 1.985 -6.380 3.237 1.00 . A B . 8 ILE HB 1 1 5 3422 1 1 8 ILE HD11 H 1.576 -3.017 0.601 1.00 . A B . 8 ILE HD11 1 1 5 3423 1 1 8 ILE HD12 H 1.922 -4.568 -0.170 1.00 . A B . 8 ILE HD12 1 1 5 3424 1 1 8 ILE HD13 H 3.164 -3.762 0.787 1.00 . A B . 8 ILE HD13 1 1 5 3425 1 1 8 ILE HG12 H 0.565 -4.856 1.819 1.00 . A B . 8 ILE HG12 1 1 5 3426 1 1 8 ILE HG13 H 1.756 -4.014 2.791 1.00 . A B . 8 ILE HG13 1 1 5 3427 1 1 8 ILE HG21 H 4.265 -6.766 2.791 1.00 . A B . 8 ILE HG21 1 1 5 3428 1 1 8 ILE HG22 H 4.029 -5.042 3.083 1.00 . A B . 8 ILE HG22 1 1 5 3429 1 1 8 ILE HG23 H 4.248 -5.636 1.438 1.00 . A B . 8 ILE HG23 1 1 5 3430 1 1 8 ILE N N 2.323 -6.935 -0.109 1.00 . A B . 8 ILE N 1 1 5 3431 1 1 8 ILE O O -0.250 -7.217 0.381 1.00 . A B . 8 ILE O 1 1 5 3432 1 1 9 LYS C C -1.792 -7.553 3.949 1.00 . A B . 9 LYS C 1 1 5 3433 1 1 9 LYS CA C -1.356 -8.254 2.689 1.00 . A B . 9 LYS CA 1 1 5 3434 1 1 9 LYS CB C -1.672 -9.752 2.777 1.00 . A B . 9 LYS CB 1 1 5 3435 1 1 9 LYS CD C -1.726 -12.009 1.643 1.00 . A B . 9 LYS CD 1 1 5 3436 1 1 9 LYS CE C -3.231 -12.191 1.816 1.00 . A B . 9 LYS CE 1 1 5 3437 1 1 9 LYS CG C -1.343 -10.537 1.518 1.00 . A B . 9 LYS CG 1 1 5 3438 1 1 9 LYS H H 0.686 -8.209 3.181 1.00 . A B . 9 LYS H 1 1 5 3439 1 1 9 LYS HA H -1.890 -7.827 1.851 1.00 . A B . 9 LYS HA 1 1 5 3440 1 1 9 LYS HB2 H -1.114 -10.175 3.598 1.00 . A B . 9 LYS HB2 1 1 5 3441 1 1 9 LYS HB3 H -2.727 -9.856 2.981 1.00 . A B . 9 LYS HB3 1 1 5 3442 1 1 9 LYS HD2 H -1.414 -12.530 0.750 1.00 . A B . 9 LYS HD2 1 1 5 3443 1 1 9 LYS HD3 H -1.220 -12.431 2.500 1.00 . A B . 9 LYS HD3 1 1 5 3444 1 1 9 LYS HE2 H -3.543 -11.696 2.724 1.00 . A B . 9 LYS HE2 1 1 5 3445 1 1 9 LYS HE3 H -3.736 -11.744 0.971 1.00 . A B . 9 LYS HE3 1 1 5 3446 1 1 9 LYS HG2 H -1.885 -10.105 0.690 1.00 . A B . 9 LYS HG2 1 1 5 3447 1 1 9 LYS HG3 H -0.282 -10.453 1.335 1.00 . A B . 9 LYS HG3 1 1 5 3448 1 1 9 LYS HZ1 H -3.401 -14.107 1.021 1.00 . A B . 9 LYS HZ1 1 1 5 3449 1 1 9 LYS HZ2 H -4.634 -13.703 2.090 1.00 . A B . 9 LYS HZ2 1 1 5 3450 1 1 9 LYS HZ3 H -3.098 -14.089 2.674 1.00 . A B . 9 LYS HZ3 1 1 5 3451 1 1 9 LYS N N 0.047 -7.999 2.465 1.00 . A B . 9 LYS N 1 1 5 3452 1 1 9 LYS NZ N -3.613 -13.612 1.910 1.00 . A B . 9 LYS NZ 1 1 5 3453 1 1 9 LYS O O -1.734 -8.113 5.050 1.00 . A B . 9 LYS O 1 1 5 3454 1 1 10 LEU C C -3.971 -5.046 4.679 1.00 . A B . 10 LEU C 1 1 5 3455 1 1 10 LEU CA C -2.567 -5.484 4.903 1.00 . A B . 10 LEU CA 1 1 5 3456 1 1 10 LEU CB C -1.647 -4.268 5.141 1.00 . A B . 10 LEU CB 1 1 5 3457 1 1 10 LEU CD1 C 0.507 -5.564 5.501 1.00 . A B . 10 LEU CD1 1 1 5 3458 1 1 10 LEU CD2 C 0.373 -3.199 6.195 1.00 . A B . 10 LEU CD2 1 1 5 3459 1 1 10 LEU CG C -0.407 -4.485 6.035 1.00 . A B . 10 LEU CG 1 1 5 3460 1 1 10 LEU H H -2.113 -5.931 2.899 1.00 . A B . 10 LEU H 1 1 5 3461 1 1 10 LEU HA H -2.571 -6.090 5.796 1.00 . A B . 10 LEU HA 1 1 5 3462 1 1 10 LEU HB2 H -1.322 -3.907 4.180 1.00 . A B . 10 LEU HB2 1 1 5 3463 1 1 10 LEU HB3 H -2.248 -3.492 5.592 1.00 . A B . 10 LEU HB3 1 1 5 3464 1 1 10 LEU HD11 H -0.035 -6.496 5.441 1.00 . A B . 10 LEU HD11 1 1 5 3465 1 1 10 LEU HD12 H 1.358 -5.676 6.156 1.00 . A B . 10 LEU HD12 1 1 5 3466 1 1 10 LEU HD13 H 0.842 -5.278 4.516 1.00 . A B . 10 LEU HD13 1 1 5 3467 1 1 10 LEU HD21 H -0.265 -2.439 6.620 1.00 . A B . 10 LEU HD21 1 1 5 3468 1 1 10 LEU HD22 H 0.722 -2.870 5.228 1.00 . A B . 10 LEU HD22 1 1 5 3469 1 1 10 LEU HD23 H 1.217 -3.366 6.847 1.00 . A B . 10 LEU HD23 1 1 5 3470 1 1 10 LEU HG H -0.783 -4.767 7.008 1.00 . A B . 10 LEU HG 1 1 5 3471 1 1 10 LEU N N -2.127 -6.312 3.802 1.00 . A B . 10 LEU N 1 1 5 3472 1 1 10 LEU O O -4.562 -5.342 3.650 1.00 . A B . 10 LEU O 1 1 5 3473 1 1 11 CYS C C -6.069 -2.763 6.469 1.00 . A B . 11 CYS C 1 1 5 3474 1 1 11 CYS CA C -5.876 -3.917 5.533 1.00 . A B . 11 CYS CA 1 1 5 3475 1 1 11 CYS CB C -6.822 -5.074 5.867 1.00 . A B . 11 CYS CB 1 1 5 3476 1 1 11 CYS H H -3.963 -4.175 6.419 1.00 . A B . 11 CYS H 1 1 5 3477 1 1 11 CYS HA H -6.060 -3.595 4.519 1.00 . A B . 11 CYS HA 1 1 5 3478 1 1 11 CYS HB2 H -6.565 -5.838 5.157 1.00 . A B . 11 CYS HB2 1 1 5 3479 1 1 11 CYS HB3 H -6.637 -5.404 6.875 1.00 . A B . 11 CYS HB3 1 1 5 3480 1 1 11 CYS N N -4.510 -4.372 5.627 1.00 . A B . 11 CYS N 1 1 5 3481 1 1 11 CYS O O -5.198 -2.480 7.288 1.00 . A B . 11 CYS O 1 1 5 3482 1 1 11 CYS SG S -8.616 -4.815 5.608 1.00 . A B . 11 CYS SG 1 1 5 3483 1 1 12 GLY C C -6.483 0.066 7.427 1.00 . A B . 12 GLY C 1 1 5 3484 1 1 12 GLY CA C -7.570 -0.955 7.113 1.00 . A B . 12 GLY CA 1 1 5 3485 1 1 12 GLY H H -7.726 -2.419 5.557 1.00 . A B . 12 GLY H 1 1 5 3486 1 1 12 GLY HA2 H -8.382 -0.428 6.639 1.00 . A B . 12 GLY HA2 1 1 5 3487 1 1 12 GLY HA3 H -7.936 -1.356 8.046 1.00 . A B . 12 GLY HA3 1 1 5 3488 1 1 12 GLY N N -7.158 -2.087 6.289 1.00 . A B . 12 GLY N 1 1 5 3489 1 1 12 GLY O O -5.780 0.605 6.522 1.00 . A B . 12 GLY O 1 1 5 3490 1 1 13 ARG C C -3.928 0.842 8.906 1.00 . A B . 13 ARG C 1 1 5 3491 1 1 13 ARG CA C -5.355 1.265 9.221 1.00 . A B . 13 ARG CA 1 1 5 3492 1 1 13 ARG CB C -5.500 1.465 10.739 1.00 . A B . 13 ARG CB 1 1 5 3493 1 1 13 ARG CD C -5.081 0.612 13.047 1.00 . A B . 13 ARG CD 1 1 5 3494 1 1 13 ARG CG C -5.093 0.266 11.577 1.00 . A B . 13 ARG CG 1 1 5 3495 1 1 13 ARG CZ C -3.476 -0.393 14.655 1.00 . A B . 13 ARG CZ 1 1 5 3496 1 1 13 ARG H H -6.894 -0.213 9.320 1.00 . A B . 13 ARG H 1 1 5 3497 1 1 13 ARG HA H -5.551 2.206 8.729 1.00 . A B . 13 ARG HA 1 1 5 3498 1 1 13 ARG HB2 H -4.886 2.301 11.038 1.00 . A B . 13 ARG HB2 1 1 5 3499 1 1 13 ARG HB3 H -6.532 1.696 10.960 1.00 . A B . 13 ARG HB3 1 1 5 3500 1 1 13 ARG HD2 H -4.482 1.497 13.199 1.00 . A B . 13 ARG HD2 1 1 5 3501 1 1 13 ARG HD3 H -6.094 0.815 13.359 1.00 . A B . 13 ARG HD3 1 1 5 3502 1 1 13 ARG HE H -5.059 -1.319 13.811 1.00 . A B . 13 ARG HE 1 1 5 3503 1 1 13 ARG HG2 H -5.789 -0.540 11.406 1.00 . A B . 13 ARG HG2 1 1 5 3504 1 1 13 ARG HG3 H -4.102 -0.046 11.280 1.00 . A B . 13 ARG HG3 1 1 5 3505 1 1 13 ARG HH11 H -2.964 1.531 14.125 1.00 . A B . 13 ARG HH11 1 1 5 3506 1 1 13 ARG HH12 H -1.940 0.825 15.286 1.00 . A B . 13 ARG HH12 1 1 5 3507 1 1 13 ARG HH21 H -3.649 -2.291 15.394 1.00 . A B . 13 ARG HH21 1 1 5 3508 1 1 13 ARG HH22 H -2.326 -1.412 16.003 1.00 . A B . 13 ARG HH22 1 1 5 3509 1 1 13 ARG N N -6.316 0.297 8.710 1.00 . A B . 13 ARG N 1 1 5 3510 1 1 13 ARG NE N -4.547 -0.479 13.859 1.00 . A B . 13 ARG NE 1 1 5 3511 1 1 13 ARG NH1 N -2.743 0.730 14.689 1.00 . A B . 13 ARG NH1 1 1 5 3512 1 1 13 ARG NH2 N -3.128 -1.430 15.401 1.00 . A B . 13 ARG NH2 1 1 5 3513 1 1 13 ARG O O -3.037 1.670 8.825 1.00 . A B . 13 ARG O 1 1 5 3514 1 1 14 GLU C C -1.999 -0.590 7.031 1.00 . A B . 14 GLU C 1 1 5 3515 1 1 14 GLU CA C -2.422 -0.987 8.427 1.00 . A B . 14 GLU CA 1 1 5 3516 1 1 14 GLU CB C -2.453 -2.491 8.587 1.00 . A B . 14 GLU CB 1 1 5 3517 1 1 14 GLU CD C -2.990 -4.421 10.112 1.00 . A B . 14 GLU CD 1 1 5 3518 1 1 14 GLU CG C -2.860 -2.932 9.981 1.00 . A B . 14 GLU CG 1 1 5 3519 1 1 14 GLU H H -4.489 -1.070 8.695 1.00 . A B . 14 GLU H 1 1 5 3520 1 1 14 GLU HA H -1.717 -0.565 9.129 1.00 . A B . 14 GLU HA 1 1 5 3521 1 1 14 GLU HB2 H -3.172 -2.882 7.881 1.00 . A B . 14 GLU HB2 1 1 5 3522 1 1 14 GLU HB3 H -1.481 -2.884 8.348 1.00 . A B . 14 GLU HB3 1 1 5 3523 1 1 14 GLU HG2 H -2.114 -2.591 10.683 1.00 . A B . 14 GLU HG2 1 1 5 3524 1 1 14 GLU HG3 H -3.809 -2.477 10.224 1.00 . A B . 14 GLU HG3 1 1 5 3525 1 1 14 GLU N N -3.728 -0.447 8.698 1.00 . A B . 14 GLU N 1 1 5 3526 1 1 14 GLU O O -0.829 -0.320 6.781 1.00 . A B . 14 GLU O 1 1 5 3527 1 1 14 GLU OE1 O -4.013 -4.981 9.682 1.00 . A B . 14 GLU OE1 1 1 5 3528 1 1 14 GLU OE2 O -2.067 -5.072 10.656 1.00 . A B . 14 GLU OE2 1 1 5 3529 1 1 15 LEU C C -2.267 1.376 4.850 1.00 . A B . 15 LEU C 1 1 5 3530 1 1 15 LEU CA C -2.706 -0.045 4.774 1.00 . A B . 15 LEU CA 1 1 5 3531 1 1 15 LEU CB C -3.961 -0.079 3.906 1.00 . A B . 15 LEU CB 1 1 5 3532 1 1 15 LEU CD1 C -5.819 -1.268 2.809 1.00 . A B . 15 LEU CD1 1 1 5 3533 1 1 15 LEU CD2 C -3.566 -2.265 2.837 1.00 . A B . 15 LEU CD2 1 1 5 3534 1 1 15 LEU CG C -4.549 -1.428 3.605 1.00 . A B . 15 LEU CG 1 1 5 3535 1 1 15 LEU H H -3.858 -0.826 6.413 1.00 . A B . 15 LEU H 1 1 5 3536 1 1 15 LEU HA H -1.935 -0.647 4.318 1.00 . A B . 15 LEU HA 1 1 5 3537 1 1 15 LEU HB2 H -4.720 0.506 4.402 1.00 . A B . 15 LEU HB2 1 1 5 3538 1 1 15 LEU HB3 H -3.727 0.405 2.969 1.00 . A B . 15 LEU HB3 1 1 5 3539 1 1 15 LEU HD11 H -6.534 -0.694 3.380 1.00 . A B . 15 LEU HD11 1 1 5 3540 1 1 15 LEU HD12 H -6.230 -2.242 2.587 1.00 . A B . 15 LEU HD12 1 1 5 3541 1 1 15 LEU HD13 H -5.596 -0.751 1.888 1.00 . A B . 15 LEU HD13 1 1 5 3542 1 1 15 LEU HD21 H -3.360 -1.819 1.876 1.00 . A B . 15 LEU HD21 1 1 5 3543 1 1 15 LEU HD22 H -4.005 -3.242 2.700 1.00 . A B . 15 LEU HD22 1 1 5 3544 1 1 15 LEU HD23 H -2.658 -2.367 3.412 1.00 . A B . 15 LEU HD23 1 1 5 3545 1 1 15 LEU HG H -4.775 -1.934 4.531 1.00 . A B . 15 LEU HG 1 1 5 3546 1 1 15 LEU N N -2.968 -0.527 6.130 1.00 . A B . 15 LEU N 1 1 5 3547 1 1 15 LEU O O -1.298 1.755 4.227 1.00 . A B . 15 LEU O 1 1 5 3548 1 1 16 VAL C C -1.225 3.690 6.483 1.00 . A B . 16 VAL C 1 1 5 3549 1 1 16 VAL CA C -2.629 3.546 5.891 1.00 . A B . 16 VAL CA 1 1 5 3550 1 1 16 VAL CB C -3.675 4.236 6.803 1.00 . A B . 16 VAL CB 1 1 5 3551 1 1 16 VAL CG1 C -3.452 5.737 6.871 1.00 . A B . 16 VAL CG1 1 1 5 3552 1 1 16 VAL CG2 C -5.086 3.926 6.335 1.00 . A B . 16 VAL CG2 1 1 5 3553 1 1 16 VAL H H -3.689 1.720 6.192 1.00 . A B . 16 VAL H 1 1 5 3554 1 1 16 VAL HA H -2.623 4.024 4.920 1.00 . A B . 16 VAL HA 1 1 5 3555 1 1 16 VAL HB H -3.557 3.836 7.799 1.00 . A B . 16 VAL HB 1 1 5 3556 1 1 16 VAL HG11 H -2.467 5.937 7.265 1.00 . A B . 16 VAL HG11 1 1 5 3557 1 1 16 VAL HG12 H -4.196 6.185 7.513 1.00 . A B . 16 VAL HG12 1 1 5 3558 1 1 16 VAL HG13 H -3.534 6.158 5.879 1.00 . A B . 16 VAL HG13 1 1 5 3559 1 1 16 VAL HG21 H -5.203 4.244 5.310 1.00 . A B . 16 VAL HG21 1 1 5 3560 1 1 16 VAL HG22 H -5.797 4.444 6.959 1.00 . A B . 16 VAL HG22 1 1 5 3561 1 1 16 VAL HG23 H -5.260 2.862 6.401 1.00 . A B . 16 VAL HG23 1 1 5 3562 1 1 16 VAL N N -2.941 2.132 5.702 1.00 . A B . 16 VAL N 1 1 5 3563 1 1 16 VAL O O -0.463 4.568 6.081 1.00 . A B . 16 VAL O 1 1 5 3564 1 1 17 ARG C C 1.504 2.602 6.943 1.00 . A B . 17 ARG C 1 1 5 3565 1 1 17 ARG CA C 0.443 2.716 8.017 1.00 . A B . 17 ARG CA 1 1 5 3566 1 1 17 ARG CB C 0.549 1.502 8.968 1.00 . A B . 17 ARG CB 1 1 5 3567 1 1 17 ARG CD C 0.441 2.627 11.241 1.00 . A B . 17 ARG CD 1 1 5 3568 1 1 17 ARG CG C -0.198 1.609 10.299 1.00 . A B . 17 ARG CG 1 1 5 3569 1 1 17 ARG CZ C 1.304 4.876 10.592 1.00 . A B . 17 ARG CZ 1 1 5 3570 1 1 17 ARG H H -1.596 2.179 7.721 1.00 . A B . 17 ARG H 1 1 5 3571 1 1 17 ARG HA H 0.614 3.616 8.582 1.00 . A B . 17 ARG HA 1 1 5 3572 1 1 17 ARG HB2 H 0.147 0.646 8.447 1.00 . A B . 17 ARG HB2 1 1 5 3573 1 1 17 ARG HB3 H 1.588 1.301 9.175 1.00 . A B . 17 ARG HB3 1 1 5 3574 1 1 17 ARG HD2 H -0.029 2.534 12.208 1.00 . A B . 17 ARG HD2 1 1 5 3575 1 1 17 ARG HD3 H 1.491 2.395 11.338 1.00 . A B . 17 ARG HD3 1 1 5 3576 1 1 17 ARG HE H -0.644 4.294 10.667 1.00 . A B . 17 ARG HE 1 1 5 3577 1 1 17 ARG HG2 H -1.216 1.914 10.101 1.00 . A B . 17 ARG HG2 1 1 5 3578 1 1 17 ARG HG3 H -0.201 0.640 10.775 1.00 . A B . 17 ARG HG3 1 1 5 3579 1 1 17 ARG HH11 H 2.819 3.498 10.806 1.00 . A B . 17 ARG HH11 1 1 5 3580 1 1 17 ARG HH12 H 3.362 5.060 10.497 1.00 . A B . 17 ARG HH12 1 1 5 3581 1 1 17 ARG HH21 H 0.099 6.483 10.226 1.00 . A B . 17 ARG HH21 1 1 5 3582 1 1 17 ARG HH22 H 1.761 6.825 10.176 1.00 . A B . 17 ARG HH22 1 1 5 3583 1 1 17 ARG N N -0.894 2.794 7.416 1.00 . A B . 17 ARG N 1 1 5 3584 1 1 17 ARG NE N 0.294 4.015 10.782 1.00 . A B . 17 ARG NE 1 1 5 3585 1 1 17 ARG NH1 N 2.571 4.456 10.635 1.00 . A B . 17 ARG NH1 1 1 5 3586 1 1 17 ARG NH2 N 1.037 6.143 10.307 1.00 . A B . 17 ARG NH2 1 1 5 3587 1 1 17 ARG O O 2.477 3.362 6.923 1.00 . A B . 17 ARG O 1 1 5 3588 1 1 18 ALA C C 2.235 2.596 3.994 1.00 . A B . 18 ALA C 1 1 5 3589 1 1 18 ALA CA C 2.192 1.414 4.951 1.00 . A B . 18 ALA CA 1 1 5 3590 1 1 18 ALA CB C 1.799 0.137 4.220 1.00 . A B . 18 ALA CB 1 1 5 3591 1 1 18 ALA H H 0.466 1.141 6.150 1.00 . A B . 18 ALA H 1 1 5 3592 1 1 18 ALA HA H 3.175 1.276 5.374 1.00 . A B . 18 ALA HA 1 1 5 3593 1 1 18 ALA HB1 H 1.783 -0.688 4.918 1.00 . A B . 18 ALA HB1 1 1 5 3594 1 1 18 ALA HB2 H 2.514 -0.066 3.436 1.00 . A B . 18 ALA HB2 1 1 5 3595 1 1 18 ALA HB3 H 0.817 0.260 3.787 1.00 . A B . 18 ALA HB3 1 1 5 3596 1 1 18 ALA N N 1.286 1.670 6.048 1.00 . A B . 18 ALA N 1 1 5 3597 1 1 18 ALA O O 3.303 3.090 3.670 1.00 . A B . 18 ALA O 1 1 5 3598 1 1 19 GLN C C 1.670 5.411 3.119 1.00 . A B . 19 GLN C 1 1 5 3599 1 1 19 GLN CA C 0.886 4.178 2.662 1.00 . A B . 19 GLN CA 1 1 5 3600 1 1 19 GLN CB C -0.588 4.530 2.600 1.00 . A B . 19 GLN CB 1 1 5 3601 1 1 19 GLN CD C -2.880 3.809 1.870 1.00 . A B . 19 GLN CD 1 1 5 3602 1 1 19 GLN CG C -1.406 3.538 1.818 1.00 . A B . 19 GLN CG 1 1 5 3603 1 1 19 GLN H H 0.246 2.611 3.927 1.00 . A B . 19 GLN H 1 1 5 3604 1 1 19 GLN HA H 1.190 3.828 1.680 1.00 . A B . 19 GLN HA 1 1 5 3605 1 1 19 GLN HB2 H -0.936 4.499 3.623 1.00 . A B . 19 GLN HB2 1 1 5 3606 1 1 19 GLN HB3 H -0.739 5.530 2.239 1.00 . A B . 19 GLN HB3 1 1 5 3607 1 1 19 GLN HE21 H -3.132 2.877 0.145 1.00 . A B . 19 GLN HE21 1 1 5 3608 1 1 19 GLN HE22 H -4.558 3.518 0.914 1.00 . A B . 19 GLN HE22 1 1 5 3609 1 1 19 GLN HG2 H -1.097 3.606 0.786 1.00 . A B . 19 GLN HG2 1 1 5 3610 1 1 19 GLN HG3 H -1.213 2.545 2.196 1.00 . A B . 19 GLN HG3 1 1 5 3611 1 1 19 GLN N N 1.058 3.053 3.586 1.00 . A B . 19 GLN N 1 1 5 3612 1 1 19 GLN NE2 N -3.587 3.358 0.866 1.00 . A B . 19 GLN NE2 1 1 5 3613 1 1 19 GLN O O 2.499 5.941 2.387 1.00 . A B . 19 GLN O 1 1 5 3614 1 1 19 GLN OE1 O -3.392 4.383 2.829 1.00 . A B . 19 GLN OE1 1 1 5 3615 1 1 20 ILE C C 3.590 6.808 5.010 1.00 . A B . 20 ILE C 1 1 5 3616 1 1 20 ILE CA C 2.070 7.002 4.939 1.00 . A B . 20 ILE CA 1 1 5 3617 1 1 20 ILE CB C 1.495 7.324 6.350 1.00 . A B . 20 ILE CB 1 1 5 3618 1 1 20 ILE CD1 C -0.659 7.958 7.546 1.00 . A B . 20 ILE CD1 1 1 5 3619 1 1 20 ILE CG1 C 0.016 7.696 6.228 1.00 . A B . 20 ILE CG1 1 1 5 3620 1 1 20 ILE CG2 C 2.281 8.452 7.041 1.00 . A B . 20 ILE CG2 1 1 5 3621 1 1 20 ILE H H 0.711 5.353 4.839 1.00 . A B . 20 ILE H 1 1 5 3622 1 1 20 ILE HA H 1.874 7.841 4.289 1.00 . A B . 20 ILE HA 1 1 5 3623 1 1 20 ILE HB H 1.577 6.436 6.958 1.00 . A B . 20 ILE HB 1 1 5 3624 1 1 20 ILE HD11 H -0.601 7.073 8.162 1.00 . A B . 20 ILE HD11 1 1 5 3625 1 1 20 ILE HD12 H -1.692 8.220 7.380 1.00 . A B . 20 ILE HD12 1 1 5 3626 1 1 20 ILE HD13 H -0.151 8.773 8.040 1.00 . A B . 20 ILE HD13 1 1 5 3627 1 1 20 ILE HG12 H -0.077 8.591 5.631 1.00 . A B . 20 ILE HG12 1 1 5 3628 1 1 20 ILE HG13 H -0.510 6.890 5.737 1.00 . A B . 20 ILE HG13 1 1 5 3629 1 1 20 ILE HG21 H 1.852 8.645 8.013 1.00 . A B . 20 ILE HG21 1 1 5 3630 1 1 20 ILE HG22 H 2.231 9.349 6.442 1.00 . A B . 20 ILE HG22 1 1 5 3631 1 1 20 ILE HG23 H 3.313 8.154 7.156 1.00 . A B . 20 ILE HG23 1 1 5 3632 1 1 20 ILE N N 1.405 5.840 4.339 1.00 . A B . 20 ILE N 1 1 5 3633 1 1 20 ILE O O 4.361 7.750 4.767 1.00 . A B . 20 ILE O 1 1 5 3634 1 1 21 ALA C C 6.059 5.427 3.967 1.00 . A B . 21 ALA C 1 1 5 3635 1 1 21 ALA CA C 5.439 5.269 5.350 1.00 . A B . 21 ALA CA 1 1 5 3636 1 1 21 ALA CB C 5.651 3.862 5.872 1.00 . A B . 21 ALA CB 1 1 5 3637 1 1 21 ALA H H 3.366 4.882 5.494 1.00 . A B . 21 ALA H 1 1 5 3638 1 1 21 ALA HA H 5.912 5.968 6.023 1.00 . A B . 21 ALA HA 1 1 5 3639 1 1 21 ALA HB1 H 5.211 3.773 6.854 1.00 . A B . 21 ALA HB1 1 1 5 3640 1 1 21 ALA HB2 H 6.709 3.654 5.927 1.00 . A B . 21 ALA HB2 1 1 5 3641 1 1 21 ALA HB3 H 5.181 3.158 5.202 1.00 . A B . 21 ALA HB3 1 1 5 3642 1 1 21 ALA N N 4.018 5.591 5.303 1.00 . A B . 21 ALA N 1 1 5 3643 1 1 21 ALA O O 7.199 5.873 3.826 1.00 . A B . 21 ALA O 1 1 5 3644 1 1 22 ILE C C 5.745 6.707 1.203 1.00 . A B . 22 ILE C 1 1 5 3645 1 1 22 ILE CA C 5.704 5.231 1.574 1.00 . A B . 22 ILE CA 1 1 5 3646 1 1 22 ILE CB C 4.716 4.537 0.599 1.00 . A B . 22 ILE CB 1 1 5 3647 1 1 22 ILE CD1 C 3.548 2.330 0.062 1.00 . A B . 22 ILE CD1 1 1 5 3648 1 1 22 ILE CG1 C 4.551 3.055 0.938 1.00 . A B . 22 ILE CG1 1 1 5 3649 1 1 22 ILE CG2 C 5.180 4.714 -0.844 1.00 . A B . 22 ILE CG2 1 1 5 3650 1 1 22 ILE H H 4.403 4.705 3.155 1.00 . A B . 22 ILE H 1 1 5 3651 1 1 22 ILE HA H 6.682 4.791 1.450 1.00 . A B . 22 ILE HA 1 1 5 3652 1 1 22 ILE HB H 3.760 5.030 0.698 1.00 . A B . 22 ILE HB 1 1 5 3653 1 1 22 ILE HD11 H 3.472 1.299 0.374 1.00 . A B . 22 ILE HD11 1 1 5 3654 1 1 22 ILE HD12 H 3.871 2.374 -0.967 1.00 . A B . 22 ILE HD12 1 1 5 3655 1 1 22 ILE HD13 H 2.584 2.807 0.156 1.00 . A B . 22 ILE HD13 1 1 5 3656 1 1 22 ILE HG12 H 5.504 2.556 0.871 1.00 . A B . 22 ILE HG12 1 1 5 3657 1 1 22 ILE HG13 H 4.205 2.982 1.959 1.00 . A B . 22 ILE HG13 1 1 5 3658 1 1 22 ILE HG21 H 5.234 5.767 -1.079 1.00 . A B . 22 ILE HG21 1 1 5 3659 1 1 22 ILE HG22 H 4.473 4.233 -1.502 1.00 . A B . 22 ILE HG22 1 1 5 3660 1 1 22 ILE HG23 H 6.153 4.263 -0.968 1.00 . A B . 22 ILE HG23 1 1 5 3661 1 1 22 ILE N N 5.289 5.085 2.955 1.00 . A B . 22 ILE N 1 1 5 3662 1 1 22 ILE O O 6.727 7.196 0.663 1.00 . A B . 22 ILE O 1 1 5 3663 1 1 23 CYS C C 5.423 9.767 1.884 1.00 . A B . 23 CYS C 1 1 5 3664 1 1 23 CYS CA C 4.541 8.799 1.136 1.00 . A B . 23 CYS CA 1 1 5 3665 1 1 23 CYS CB C 3.097 9.186 1.263 1.00 . A B . 23 CYS CB 1 1 5 3666 1 1 23 CYS H H 3.988 6.984 2.069 1.00 . A B . 23 CYS H 1 1 5 3667 1 1 23 CYS HA H 4.798 8.853 0.089 1.00 . A B . 23 CYS HA 1 1 5 3668 1 1 23 CYS HB2 H 2.749 8.824 2.220 1.00 . A B . 23 CYS HB2 1 1 5 3669 1 1 23 CYS HB3 H 3.041 10.259 1.242 1.00 . A B . 23 CYS HB3 1 1 5 3670 1 1 23 CYS N N 4.703 7.417 1.547 1.00 . A B . 23 CYS N 1 1 5 3671 1 1 23 CYS O O 5.773 10.829 1.369 1.00 . A B . 23 CYS O 1 1 5 3672 1 1 23 CYS SG S 2.058 8.457 -0.032 1.00 . A B . 23 CYS SG 1 1 5 3673 1 1 24 GLY C C 8.190 9.886 3.416 1.00 . A B . 24 GLY C 1 1 5 3674 1 1 24 GLY CA C 6.760 10.198 3.796 1.00 . A B . 24 GLY CA 1 1 5 3675 1 1 24 GLY H H 5.408 8.583 3.408 1.00 . A B . 24 GLY H 1 1 5 3676 1 1 24 GLY HA2 H 6.563 11.239 3.585 1.00 . A B . 24 GLY HA2 1 1 5 3677 1 1 24 GLY HA3 H 6.629 10.024 4.852 1.00 . A B . 24 GLY HA3 1 1 5 3678 1 1 24 GLY N N 5.825 9.392 3.043 1.00 . A B . 24 GLY N 1 1 5 3679 1 1 24 GLY O O 9.122 10.523 3.891 1.00 . A B . 24 GLY O 1 1 5 3680 1 1 25 MET C C 9.620 8.288 0.587 1.00 . A B . 25 MET C 1 1 5 3681 1 1 25 MET CA C 9.669 8.468 2.091 1.00 . A B . 25 MET CA 1 1 5 3682 1 1 25 MET CB C 10.087 7.151 2.774 1.00 . A B . 25 MET CB 1 1 5 3683 1 1 25 MET CE C 11.009 6.247 6.745 1.00 . A B . 25 MET CE 1 1 5 3684 1 1 25 MET CG C 10.336 7.278 4.268 1.00 . A B . 25 MET CG 1 1 5 3685 1 1 25 MET H H 7.570 8.420 2.224 1.00 . A B . 25 MET H 1 1 5 3686 1 1 25 MET HA H 10.379 9.242 2.333 1.00 . A B . 25 MET HA 1 1 5 3687 1 1 25 MET HB2 H 9.303 6.422 2.625 1.00 . A B . 25 MET HB2 1 1 5 3688 1 1 25 MET HB3 H 10.991 6.790 2.307 1.00 . A B . 25 MET HB3 1 1 5 3689 1 1 25 MET HE1 H 10.107 6.695 7.133 1.00 . A B . 25 MET HE1 1 1 5 3690 1 1 25 MET HE2 H 11.811 6.971 6.765 1.00 . A B . 25 MET HE2 1 1 5 3691 1 1 25 MET HE3 H 11.279 5.396 7.354 1.00 . A B . 25 MET HE3 1 1 5 3692 1 1 25 MET HG2 H 11.165 7.953 4.420 1.00 . A B . 25 MET HG2 1 1 5 3693 1 1 25 MET HG3 H 9.449 7.687 4.729 1.00 . A B . 25 MET HG3 1 1 5 3694 1 1 25 MET N N 8.358 8.897 2.563 1.00 . A B . 25 MET N 1 1 5 3695 1 1 25 MET O O 10.332 7.464 0.011 1.00 . A B . 25 MET O 1 1 5 3696 1 1 25 MET SD S 10.731 5.707 5.059 1.00 . A B . 25 MET SD 1 1 5 3697 1 1 26 SER C C 9.785 9.649 -2.235 1.00 . A B . 26 SER C 1 1 5 3698 1 1 26 SER CA C 8.636 9.024 -1.478 1.00 . A B . 26 SER CA 1 1 5 3699 1 1 26 SER CB C 7.286 9.588 -1.919 1.00 . A B . 26 SER CB 1 1 5 3700 1 1 26 SER H H 8.391 9.841 0.428 1.00 . A B . 26 SER H 1 1 5 3701 1 1 26 SER HA H 8.650 7.968 -1.708 1.00 . A B . 26 SER HA 1 1 5 3702 1 1 26 SER HB2 H 7.171 10.589 -1.534 1.00 . A B . 26 SER HB2 1 1 5 3703 1 1 26 SER HB3 H 7.246 9.613 -2.998 1.00 . A B . 26 SER HB3 1 1 5 3704 1 1 26 SER HG H 6.555 8.217 -0.723 1.00 . A B . 26 SER HG 1 1 5 3705 1 1 26 SER N N 8.821 9.114 -0.063 1.00 . A B . 26 SER N 1 1 5 3706 1 1 26 SER O O 9.733 10.799 -2.673 1.00 . A B . 26 SER O 1 1 5 3707 1 1 26 SER OG O 6.214 8.781 -1.436 1.00 . A B . 26 SER OG 1 1 5 3708 1 1 27 THR C C 11.769 8.883 -4.487 1.00 . A B . 27 THR C 1 1 5 3709 1 1 27 THR CA C 12.018 9.284 -3.045 1.00 . A B . 27 THR CA 1 1 5 3710 1 1 27 THR CB C 13.264 8.575 -2.503 1.00 . A B . 27 THR CB 1 1 5 3711 1 1 27 THR CG2 C 14.537 9.133 -3.132 1.00 . A B . 27 THR CG2 1 1 5 3712 1 1 27 THR H H 10.853 8.141 -1.662 1.00 . A B . 27 THR H 1 1 5 3713 1 1 27 THR HA H 12.141 10.346 -2.996 1.00 . A B . 27 THR HA 1 1 5 3714 1 1 27 THR HB H 13.185 7.520 -2.722 1.00 . A B . 27 THR HB 1 1 5 3715 1 1 27 THR HG1 H 12.534 9.255 -0.796 1.00 . A B . 27 THR HG1 1 1 5 3716 1 1 27 THR HG21 H 14.498 9.000 -4.204 1.00 . A B . 27 THR HG21 1 1 5 3717 1 1 27 THR HG22 H 15.395 8.611 -2.735 1.00 . A B . 27 THR HG22 1 1 5 3718 1 1 27 THR HG23 H 14.620 10.185 -2.902 1.00 . A B . 27 THR HG23 1 1 5 3719 1 1 27 THR N N 10.859 8.922 -2.264 1.00 . A B . 27 THR N 1 1 5 3720 1 1 27 THR O O 12.181 9.542 -5.441 1.00 . A B . 27 THR O 1 1 5 3721 1 1 27 THR OG1 O 13.318 8.759 -1.072 1.00 . A B . 27 THR OG1 1 1 5 3722 1 1 28 TRP C C 9.168 7.421 -6.073 1.00 . A B . 28 TRP C 1 1 5 3723 1 1 28 TRP CA C 10.665 7.266 -5.862 1.00 . A B . 28 TRP CA 1 1 5 3724 1 1 28 TRP CB C 11.063 5.783 -5.922 1.00 . A B . 28 TRP CB 1 1 5 3725 1 1 28 TRP CD1 C 13.081 5.024 -4.528 1.00 . A B . 28 TRP CD1 1 1 5 3726 1 1 28 TRP CD2 C 13.618 5.770 -6.567 1.00 . A B . 28 TRP CD2 1 1 5 3727 1 1 28 TRP CE2 C 14.797 5.372 -5.903 1.00 . A B . 28 TRP CE2 1 1 5 3728 1 1 28 TRP CE3 C 13.714 6.276 -7.867 1.00 . A B . 28 TRP CE3 1 1 5 3729 1 1 28 TRP CG C 12.527 5.525 -5.669 1.00 . A B . 28 TRP CG 1 1 5 3730 1 1 28 TRP CH2 C 16.117 5.968 -7.766 1.00 . A B . 28 TRP CH2 1 1 5 3731 1 1 28 TRP CZ2 C 16.054 5.467 -6.494 1.00 . A B . 28 TRP CZ2 1 1 5 3732 1 1 28 TRP CZ3 C 14.964 6.371 -8.451 1.00 . A B . 28 TRP CZ3 1 1 5 3733 1 1 28 TRP H H 10.695 7.509 -3.747 1.00 . A B . 28 TRP H 1 1 5 3734 1 1 28 TRP HA H 11.190 7.805 -6.635 1.00 . A B . 28 TRP HA 1 1 5 3735 1 1 28 TRP HB2 H 10.501 5.239 -5.178 1.00 . A B . 28 TRP HB2 1 1 5 3736 1 1 28 TRP HB3 H 10.819 5.395 -6.900 1.00 . A B . 28 TRP HB3 1 1 5 3737 1 1 28 TRP HD1 H 12.512 4.738 -3.656 1.00 . A B . 28 TRP HD1 1 1 5 3738 1 1 28 TRP HE1 H 15.045 4.562 -3.974 1.00 . A B . 28 TRP HE1 1 1 5 3739 1 1 28 TRP HE3 H 12.837 6.590 -8.411 1.00 . A B . 28 TRP HE3 1 1 5 3740 1 1 28 TRP HH2 H 17.071 6.063 -8.263 1.00 . A B . 28 TRP HH2 1 1 5 3741 1 1 28 TRP HZ2 H 16.953 5.161 -5.980 1.00 . A B . 28 TRP HZ2 1 1 5 3742 1 1 28 TRP HZ3 H 15.060 6.761 -9.453 1.00 . A B . 28 TRP HZ3 1 1 5 3743 1 1 28 TRP N N 11.026 7.847 -4.600 1.00 . A B . 28 TRP N 1 1 5 3744 1 1 28 TRP NE1 N 14.436 4.914 -4.664 1.00 . A B . 28 TRP NE1 1 1 5 3745 1 1 28 TRP O O 8.365 6.692 -5.481 1.00 . A B . 28 TRP O 1 1 5 3746 1 1 29 SER C C 7.190 8.615 -8.643 1.00 . A B . 29 SER C 1 1 5 3747 1 1 29 SER CA C 7.418 8.666 -7.139 1.00 . A B . 29 SER CA 1 1 5 3748 1 1 29 SER CB C 7.014 10.029 -6.567 1.00 . A B . 29 SER CB 1 1 5 3749 1 1 29 SER H H 9.484 8.973 -7.253 1.00 . A B . 29 SER H 1 1 5 3750 1 1 29 SER HA H 6.824 7.898 -6.668 1.00 . A B . 29 SER HA 1 1 5 3751 1 1 29 SER HB2 H 7.626 10.799 -7.013 1.00 . A B . 29 SER HB2 1 1 5 3752 1 1 29 SER HB3 H 5.974 10.220 -6.789 1.00 . A B . 29 SER HB3 1 1 5 3753 1 1 29 SER HG H 6.846 9.212 -4.837 1.00 . A B . 29 SER HG 1 1 5 3754 1 1 29 SER N N 8.800 8.401 -6.845 1.00 . A B . 29 SER N 1 1 5 3755 1 1 29 SER O O 7.317 9.621 -9.337 1.00 . A B . 29 SER O 1 1 5 3756 1 1 29 SER OG O 7.197 10.053 -5.156 1.00 . A B . 29 SER OG 1 1 5 3757 1 1 30 NH2 HN1 H 6.814 6.687 -8.530 1.00 . A B . 30 NH2 HN1 1 1 5 3758 1 1 30 NH2 HN2 H 6.785 7.362 -10.119 1.00 . A B . 30 NH2 HN2 1 1 5 3759 1 1 30 NH2 N N 6.900 7.442 -9.148 1.00 . A B . 30 NH2 N 1 1 5 3760 2 2 1 PCA C C -12.880 2.776 -6.052 1.00 . B A . 1 PCA C 1 1 5 3761 2 2 1 PCA CA C -14.126 3.630 -6.147 1.00 . B A . 1 PCA CA 1 1 5 3762 2 2 1 PCA CB C -15.369 2.756 -6.155 1.00 . B A . 1 PCA CB 1 1 5 3763 2 2 1 PCA CD C -14.971 3.784 -8.268 1.00 . B A . 1 PCA CD 1 1 5 3764 2 2 1 PCA CG C -15.969 2.898 -7.542 1.00 . B A . 1 PCA CG 1 1 5 3765 2 2 1 PCA HA H -14.132 4.329 -5.327 1.00 . B A . 1 PCA HA 1 1 5 3766 2 2 1 PCA HB2 H -15.096 1.718 -5.967 1.00 . B A . 1 PCA HB2 1 1 5 3767 2 2 1 PCA HB3 H -16.077 3.100 -5.400 1.00 . B A . 1 PCA HB3 1 1 5 3768 2 2 1 PCA HG2 H -16.057 1.921 -8.019 1.00 . B A . 1 PCA HG2 1 1 5 3769 2 2 1 PCA HG3 H -16.933 3.404 -7.505 1.00 . B A . 1 PCA HG3 1 1 5 3770 2 2 1 PCA N N -14.123 4.361 -7.419 1.00 . B A . 1 PCA N 1 1 5 3771 2 2 1 PCA O O -12.825 1.761 -5.347 1.00 . B A . 1 PCA O 1 1 5 3772 2 2 1 PCA OE O -14.948 3.915 -9.489 1.00 . B A . 1 PCA OE 1 1 5 3773 2 2 2 LEU C C -9.808 2.590 -5.589 1.00 . B A . 2 LEU C 1 1 5 3774 2 2 2 LEU CA C -10.602 2.533 -6.850 1.00 . B A . 2 LEU CA 1 1 5 3775 2 2 2 LEU CB C -9.820 3.006 -8.084 1.00 . B A . 2 LEU CB 1 1 5 3776 2 2 2 LEU CD1 C -8.882 0.735 -8.655 1.00 . B A . 2 LEU CD1 1 1 5 3777 2 2 2 LEU CD2 C -7.995 2.771 -9.771 1.00 . B A . 2 LEU CD2 1 1 5 3778 2 2 2 LEU CG C -8.564 2.215 -8.479 1.00 . B A . 2 LEU CG 1 1 5 3779 2 2 2 LEU H H -12.017 4.121 -7.136 1.00 . B A . 2 LEU H 1 1 5 3780 2 2 2 LEU HA H -10.758 1.474 -6.912 1.00 . B A . 2 LEU HA 1 1 5 3781 2 2 2 LEU HB2 H -10.490 3.004 -8.929 1.00 . B A . 2 LEU HB2 1 1 5 3782 2 2 2 LEU HB3 H -9.523 4.028 -7.904 1.00 . B A . 2 LEU HB3 1 1 5 3783 2 2 2 LEU HD11 H -9.660 0.618 -9.395 1.00 . B A . 2 LEU HD11 1 1 5 3784 2 2 2 LEU HD12 H -9.201 0.313 -7.715 1.00 . B A . 2 LEU HD12 1 1 5 3785 2 2 2 LEU HD13 H -7.992 0.223 -8.991 1.00 . B A . 2 LEU HD13 1 1 5 3786 2 2 2 LEU HD21 H -7.751 3.815 -9.637 1.00 . B A . 2 LEU HD21 1 1 5 3787 2 2 2 LEU HD22 H -8.729 2.673 -10.558 1.00 . B A . 2 LEU HD22 1 1 5 3788 2 2 2 LEU HD23 H -7.104 2.222 -10.039 1.00 . B A . 2 LEU HD23 1 1 5 3789 2 2 2 LEU HG H -7.813 2.316 -7.709 1.00 . B A . 2 LEU HG 1 1 5 3790 2 2 2 LEU N N -11.868 3.240 -6.726 1.00 . B A . 2 LEU N 1 1 5 3791 2 2 2 LEU O O -8.991 1.706 -5.322 1.00 . B A . 2 LEU O 1 1 5 3792 2 2 3 TYR C C -9.964 2.574 -2.591 1.00 . B A . 3 TYR C 1 1 5 3793 2 2 3 TYR CA C -9.392 3.614 -3.550 1.00 . B A . 3 TYR CA 1 1 5 3794 2 2 3 TYR CB C -9.406 4.990 -2.937 1.00 . B A . 3 TYR CB 1 1 5 3795 2 2 3 TYR CD1 C -7.193 4.755 -1.969 1.00 . B A . 3 TYR CD1 1 1 5 3796 2 2 3 TYR CD2 C -8.990 5.159 -0.497 1.00 . B A . 3 TYR CD2 1 1 5 3797 2 2 3 TYR CE1 C -6.338 4.682 -0.946 1.00 . B A . 3 TYR CE1 1 1 5 3798 2 2 3 TYR CE2 C -8.137 5.084 0.563 1.00 . B A . 3 TYR CE2 1 1 5 3799 2 2 3 TYR CG C -8.519 4.999 -1.777 1.00 . B A . 3 TYR CG 1 1 5 3800 2 2 3 TYR CZ C -6.802 4.844 0.336 1.00 . B A . 3 TYR CZ 1 1 5 3801 2 2 3 TYR H H -10.736 4.245 -5.020 1.00 . B A . 3 TYR H 1 1 5 3802 2 2 3 TYR HA H -8.369 3.332 -3.758 1.00 . B A . 3 TYR HA 1 1 5 3803 2 2 3 TYR HB2 H -9.043 5.710 -3.656 1.00 . B A . 3 TYR HB2 1 1 5 3804 2 2 3 TYR HB3 H -10.399 5.249 -2.608 1.00 . B A . 3 TYR HB3 1 1 5 3805 2 2 3 TYR HD1 H -6.831 4.628 -2.979 1.00 . B A . 3 TYR HD1 1 1 5 3806 2 2 3 TYR HD2 H -10.042 5.353 -0.337 1.00 . B A . 3 TYR HD2 1 1 5 3807 2 2 3 TYR HE1 H -5.314 4.477 -1.205 1.00 . B A . 3 TYR HE1 1 1 5 3808 2 2 3 TYR HE2 H -8.528 5.207 1.560 1.00 . B A . 3 TYR HE2 1 1 5 3809 2 2 3 TYR HH H -5.196 5.385 1.220 1.00 . B A . 3 TYR HH 1 1 5 3810 2 2 3 TYR N N -10.073 3.560 -4.777 1.00 . B A . 3 TYR N 1 1 5 3811 2 2 3 TYR O O -9.219 1.837 -1.927 1.00 . B A . 3 TYR O 1 1 5 3812 2 2 3 TYR OH O -5.930 4.774 1.387 1.00 . B A . 3 TYR OH 1 1 5 3813 2 2 4 SER C C -11.607 0.108 -2.250 1.00 . B A . 4 SER C 1 1 5 3814 2 2 4 SER CA C -11.966 1.515 -1.743 1.00 . B A . 4 SER CA 1 1 5 3815 2 2 4 SER CB C -13.487 1.757 -1.811 1.00 . B A . 4 SER CB 1 1 5 3816 2 2 4 SER H H -11.801 3.126 -3.099 1.00 . B A . 4 SER H 1 1 5 3817 2 2 4 SER HA H -11.625 1.627 -0.725 1.00 . B A . 4 SER HA 1 1 5 3818 2 2 4 SER HB2 H -13.691 2.810 -1.695 1.00 . B A . 4 SER HB2 1 1 5 3819 2 2 4 SER HB3 H -13.849 1.432 -2.776 1.00 . B A . 4 SER HB3 1 1 5 3820 2 2 4 SER HG H -14.625 0.294 -1.230 1.00 . B A . 4 SER HG 1 1 5 3821 2 2 4 SER N N -11.280 2.489 -2.562 1.00 . B A . 4 SER N 1 1 5 3822 2 2 4 SER O O -11.513 -0.856 -1.468 1.00 . B A . 4 SER O 1 1 5 3823 2 2 4 SER OG O -14.187 1.038 -0.795 1.00 . B A . 4 SER OG 1 1 5 3824 2 2 5 ALA C C -9.601 -1.654 -3.707 1.00 . B A . 5 ALA C 1 1 5 3825 2 2 5 ALA CA C -10.969 -1.213 -4.200 1.00 . B A . 5 ALA CA 1 1 5 3826 2 2 5 ALA CB C -10.973 -1.070 -5.711 1.00 . B A . 5 ALA CB 1 1 5 3827 2 2 5 ALA H H -11.509 0.815 -4.114 1.00 . B A . 5 ALA H 1 1 5 3828 2 2 5 ALA HA H -11.685 -1.972 -3.927 1.00 . B A . 5 ALA HA 1 1 5 3829 2 2 5 ALA HB1 H -11.946 -0.739 -6.043 1.00 . B A . 5 ALA HB1 1 1 5 3830 2 2 5 ALA HB2 H -10.739 -2.022 -6.164 1.00 . B A . 5 ALA HB2 1 1 5 3831 2 2 5 ALA HB3 H -10.227 -0.344 -5.996 1.00 . B A . 5 ALA HB3 1 1 5 3832 2 2 5 ALA N N -11.375 0.015 -3.560 1.00 . B A . 5 ALA N 1 1 5 3833 2 2 5 ALA O O -9.453 -2.785 -3.293 1.00 . B A . 5 ALA O 1 1 5 3834 2 2 6 LEU C C -7.293 -1.626 -1.830 1.00 . B A . 6 LEU C 1 1 5 3835 2 2 6 LEU CA C -7.237 -1.051 -3.237 1.00 . B A . 6 LEU CA 1 1 5 3836 2 2 6 LEU CB C -6.336 0.205 -3.224 1.00 . B A . 6 LEU CB 1 1 5 3837 2 2 6 LEU CD1 C -4.084 -0.924 -3.507 1.00 . B A . 6 LEU CD1 1 1 5 3838 2 2 6 LEU CD2 C -4.205 1.318 -2.385 1.00 . B A . 6 LEU CD2 1 1 5 3839 2 2 6 LEU CG C -4.920 -0.005 -2.633 1.00 . B A . 6 LEU CG 1 1 5 3840 2 2 6 LEU H H -8.790 0.161 -4.078 1.00 . B A . 6 LEU H 1 1 5 3841 2 2 6 LEU HA H -6.809 -1.792 -3.896 1.00 . B A . 6 LEU HA 1 1 5 3842 2 2 6 LEU HB2 H -6.234 0.559 -4.239 1.00 . B A . 6 LEU HB2 1 1 5 3843 2 2 6 LEU HB3 H -6.832 0.968 -2.642 1.00 . B A . 6 LEU HB3 1 1 5 3844 2 2 6 LEU HD11 H -3.103 -1.040 -3.070 1.00 . B A . 6 LEU HD11 1 1 5 3845 2 2 6 LEU HD12 H -3.989 -0.496 -4.495 1.00 . B A . 6 LEU HD12 1 1 5 3846 2 2 6 LEU HD13 H -4.561 -1.889 -3.578 1.00 . B A . 6 LEU HD13 1 1 5 3847 2 2 6 LEU HD21 H -4.055 1.832 -3.322 1.00 . B A . 6 LEU HD21 1 1 5 3848 2 2 6 LEU HD22 H -3.244 1.122 -1.929 1.00 . B A . 6 LEU HD22 1 1 5 3849 2 2 6 LEU HD23 H -4.793 1.935 -1.723 1.00 . B A . 6 LEU HD23 1 1 5 3850 2 2 6 LEU HG H -5.035 -0.509 -1.684 1.00 . B A . 6 LEU HG 1 1 5 3851 2 2 6 LEU N N -8.608 -0.738 -3.723 1.00 . B A . 6 LEU N 1 1 5 3852 2 2 6 LEU O O -6.632 -2.637 -1.525 1.00 . B A . 6 LEU O 1 1 5 3853 2 2 7 ALA C C -8.826 -2.836 0.416 1.00 . B A . 7 ALA C 1 1 5 3854 2 2 7 ALA CA C -8.316 -1.395 0.363 1.00 . B A . 7 ALA CA 1 1 5 3855 2 2 7 ALA CB C -9.303 -0.446 1.017 1.00 . B A . 7 ALA CB 1 1 5 3856 2 2 7 ALA H H -8.573 -0.196 -1.345 1.00 . B A . 7 ALA H 1 1 5 3857 2 2 7 ALA HA H -7.375 -1.329 0.888 1.00 . B A . 7 ALA HA 1 1 5 3858 2 2 7 ALA HB1 H -8.911 0.560 0.988 1.00 . B A . 7 ALA HB1 1 1 5 3859 2 2 7 ALA HB2 H -9.475 -0.740 2.040 1.00 . B A . 7 ALA HB2 1 1 5 3860 2 2 7 ALA HB3 H -10.238 -0.479 0.476 1.00 . B A . 7 ALA HB3 1 1 5 3861 2 2 7 ALA N N -8.103 -0.988 -1.005 1.00 . B A . 7 ALA N 1 1 5 3862 2 2 7 ALA O O -8.246 -3.691 1.085 1.00 . B A . 7 ALA O 1 1 5 3863 2 2 8 ASN C C -9.508 -5.457 -0.965 1.00 . B A . 8 ASN C 1 1 5 3864 2 2 8 ASN CA C -10.500 -4.409 -0.446 1.00 . B A . 8 ASN CA 1 1 5 3865 2 2 8 ASN CB C -11.711 -4.323 -1.393 1.00 . B A . 8 ASN CB 1 1 5 3866 2 2 8 ASN CG C -12.454 -5.633 -1.580 1.00 . B A . 8 ASN CG 1 1 5 3867 2 2 8 ASN H H -10.223 -2.357 -0.897 1.00 . B A . 8 ASN H 1 1 5 3868 2 2 8 ASN HA H -10.845 -4.691 0.536 1.00 . B A . 8 ASN HA 1 1 5 3869 2 2 8 ASN HB2 H -12.414 -3.599 -1.008 1.00 . B A . 8 ASN HB2 1 1 5 3870 2 2 8 ASN HB3 H -11.364 -3.987 -2.360 1.00 . B A . 8 ASN HB3 1 1 5 3871 2 2 8 ASN HD21 H -12.931 -5.105 -3.410 1.00 . B A . 8 ASN HD21 1 1 5 3872 2 2 8 ASN HD22 H -13.531 -6.634 -2.901 1.00 . B A . 8 ASN HD22 1 1 5 3873 2 2 8 ASN N N -9.865 -3.092 -0.354 1.00 . B A . 8 ASN N 1 1 5 3874 2 2 8 ASN ND2 N -13.022 -5.815 -2.736 1.00 . B A . 8 ASN ND2 1 1 5 3875 2 2 8 ASN O O -9.331 -6.517 -0.372 1.00 . B A . 8 ASN O 1 1 5 3876 2 2 8 ASN OD1 O -12.510 -6.475 -0.694 1.00 . B A . 8 ASN OD1 1 1 5 3877 2 2 9 LYS C C -6.752 -6.422 -1.805 1.00 . B A . 9 LYS C 1 1 5 3878 2 2 9 LYS CA C -7.883 -5.981 -2.708 1.00 . B A . 9 LYS CA 1 1 5 3879 2 2 9 LYS CB C -7.329 -5.278 -3.944 1.00 . B A . 9 LYS CB 1 1 5 3880 2 2 9 LYS CD C -7.839 -4.096 -6.129 1.00 . B A . 9 LYS CD 1 1 5 3881 2 2 9 LYS CE C -6.528 -4.550 -6.757 1.00 . B A . 9 LYS CE 1 1 5 3882 2 2 9 LYS CG C -8.350 -5.058 -5.050 1.00 . B A . 9 LYS CG 1 1 5 3883 2 2 9 LYS H H -8.993 -4.211 -2.398 1.00 . B A . 9 LYS H 1 1 5 3884 2 2 9 LYS HA H -8.392 -6.878 -3.019 1.00 . B A . 9 LYS HA 1 1 5 3885 2 2 9 LYS HB2 H -6.956 -4.311 -3.641 1.00 . B A . 9 LYS HB2 1 1 5 3886 2 2 9 LYS HB3 H -6.507 -5.851 -4.344 1.00 . B A . 9 LYS HB3 1 1 5 3887 2 2 9 LYS HD2 H -8.582 -4.013 -6.907 1.00 . B A . 9 LYS HD2 1 1 5 3888 2 2 9 LYS HD3 H -7.694 -3.124 -5.680 1.00 . B A . 9 LYS HD3 1 1 5 3889 2 2 9 LYS HE2 H -6.267 -3.859 -7.543 1.00 . B A . 9 LYS HE2 1 1 5 3890 2 2 9 LYS HE3 H -5.757 -4.540 -6.001 1.00 . B A . 9 LYS HE3 1 1 5 3891 2 2 9 LYS HG2 H -8.580 -6.009 -5.507 1.00 . B A . 9 LYS HG2 1 1 5 3892 2 2 9 LYS HG3 H -9.247 -4.648 -4.610 1.00 . B A . 9 LYS HG3 1 1 5 3893 2 2 9 LYS HZ1 H -5.709 -6.143 -7.788 1.00 . B A . 9 LYS HZ1 1 1 5 3894 2 2 9 LYS HZ2 H -7.357 -5.962 -8.069 1.00 . B A . 9 LYS HZ2 1 1 5 3895 2 2 9 LYS HZ3 H -6.802 -6.618 -6.620 1.00 . B A . 9 LYS HZ3 1 1 5 3896 2 2 9 LYS N N -8.835 -5.111 -2.032 1.00 . B A . 9 LYS N 1 1 5 3897 2 2 9 LYS NZ N -6.615 -5.895 -7.343 1.00 . B A . 9 LYS NZ 1 1 5 3898 2 2 9 LYS O O -6.481 -7.610 -1.697 1.00 . B A . 9 LYS O 1 1 5 3899 2 2 10 CYS C C -5.432 -6.592 0.936 1.00 . B A . 10 CYS C 1 1 5 3900 2 2 10 CYS CA C -4.984 -5.821 -0.302 1.00 . B A . 10 CYS CA 1 1 5 3901 2 2 10 CYS CB C -4.257 -4.547 0.096 1.00 . B A . 10 CYS CB 1 1 5 3902 2 2 10 CYS H H -6.433 -4.560 -1.195 1.00 . B A . 10 CYS H 1 1 5 3903 2 2 10 CYS HA H -4.305 -6.455 -0.861 1.00 . B A . 10 CYS HA 1 1 5 3904 2 2 10 CYS HB2 H -4.239 -3.862 -0.738 1.00 . B A . 10 CYS HB2 1 1 5 3905 2 2 10 CYS HB3 H -4.804 -4.086 0.906 1.00 . B A . 10 CYS HB3 1 1 5 3906 2 2 10 CYS N N -6.130 -5.495 -1.135 1.00 . B A . 10 CYS N 1 1 5 3907 2 2 10 CYS O O -4.692 -7.415 1.482 1.00 . B A . 10 CYS O 1 1 5 3908 2 2 10 CYS SG S -2.553 -4.814 0.662 1.00 . B A . 10 CYS SG 1 1 5 3909 2 2 11 CYS C C -7.587 -8.454 2.173 1.00 . B A . 11 CYS C 1 1 5 3910 2 2 11 CYS CA C -7.246 -6.987 2.490 1.00 . B A . 11 CYS CA 1 1 5 3911 2 2 11 CYS CB C -8.501 -6.189 2.888 1.00 . B A . 11 CYS CB 1 1 5 3912 2 2 11 CYS H H -7.219 -5.732 0.816 1.00 . B A . 11 CYS H 1 1 5 3913 2 2 11 CYS HA H -6.529 -6.945 3.295 1.00 . B A . 11 CYS HA 1 1 5 3914 2 2 11 CYS HB2 H -8.258 -5.142 2.811 1.00 . B A . 11 CYS HB2 1 1 5 3915 2 2 11 CYS HB3 H -9.281 -6.406 2.172 1.00 . B A . 11 CYS HB3 1 1 5 3916 2 2 11 CYS N N -6.667 -6.363 1.326 1.00 . B A . 11 CYS N 1 1 5 3917 2 2 11 CYS O O -7.625 -9.310 3.065 1.00 . B A . 11 CYS O 1 1 5 3918 2 2 11 CYS SG S -9.174 -6.481 4.564 1.00 . B A . 11 CYS SG 1 1 5 3919 2 2 12 HIS C C -6.975 -10.846 -0.126 1.00 . B A . 12 HIS C 1 1 5 3920 2 2 12 HIS CA C -8.148 -10.108 0.487 1.00 . B A . 12 HIS CA 1 1 5 3921 2 2 12 HIS CB C -9.360 -10.132 -0.447 1.00 . B A . 12 HIS CB 1 1 5 3922 2 2 12 HIS CD2 C -11.034 -8.710 0.881 1.00 . B A . 12 HIS CD2 1 1 5 3923 2 2 12 HIS CE1 C -12.668 -10.105 1.061 1.00 . B A . 12 HIS CE1 1 1 5 3924 2 2 12 HIS CG C -10.649 -9.828 0.252 1.00 . B A . 12 HIS CG 1 1 5 3925 2 2 12 HIS H H -7.776 -8.028 0.222 1.00 . B A . 12 HIS H 1 1 5 3926 2 2 12 HIS HA H -8.419 -10.632 1.391 1.00 . B A . 12 HIS HA 1 1 5 3927 2 2 12 HIS HB2 H -9.213 -9.383 -1.210 1.00 . B A . 12 HIS HB2 1 1 5 3928 2 2 12 HIS HB3 H -9.432 -11.101 -0.916 1.00 . B A . 12 HIS HB3 1 1 5 3929 2 2 12 HIS HD1 H -11.737 -11.621 0.019 1.00 . B A . 12 HIS HD1 1 1 5 3930 2 2 12 HIS HD2 H -10.433 -7.818 0.955 1.00 . B A . 12 HIS HD2 1 1 5 3931 2 2 12 HIS HE1 H -13.616 -10.559 1.310 1.00 . B A . 12 HIS HE1 1 1 5 3932 2 2 12 HIS N N -7.815 -8.748 0.894 1.00 . B A . 12 HIS N 1 1 5 3933 2 2 12 HIS ND1 N -11.699 -10.707 0.372 1.00 . B A . 12 HIS ND1 1 1 5 3934 2 2 12 HIS NE2 N -12.310 -8.878 1.399 1.00 . B A . 12 HIS NE2 1 1 5 3935 2 2 12 HIS O O -6.574 -11.900 0.362 1.00 . B A . 12 HIS O 1 1 5 3936 2 2 13 VAL C C -3.993 -10.321 -1.592 1.00 . B A . 13 VAL C 1 1 5 3937 2 2 13 VAL CA C -5.341 -10.966 -1.881 1.00 . B A . 13 VAL CA 1 1 5 3938 2 2 13 VAL CB C -5.593 -11.057 -3.406 1.00 . B A . 13 VAL CB 1 1 5 3939 2 2 13 VAL CG1 C -6.745 -12.005 -3.693 1.00 . B A . 13 VAL CG1 1 1 5 3940 2 2 13 VAL CG2 C -5.896 -9.695 -4.018 1.00 . B A . 13 VAL CG2 1 1 5 3941 2 2 13 VAL H H -6.757 -9.438 -1.490 1.00 . B A . 13 VAL H 1 1 5 3942 2 2 13 VAL HA H -5.300 -11.973 -1.490 1.00 . B A . 13 VAL HA 1 1 5 3943 2 2 13 VAL HB H -4.666 -11.417 -3.821 1.00 . B A . 13 VAL HB 1 1 5 3944 2 2 13 VAL HG11 H -7.627 -11.635 -3.189 1.00 . B A . 13 VAL HG11 1 1 5 3945 2 2 13 VAL HG12 H -6.506 -12.992 -3.324 1.00 . B A . 13 VAL HG12 1 1 5 3946 2 2 13 VAL HG13 H -6.929 -12.044 -4.756 1.00 . B A . 13 VAL HG13 1 1 5 3947 2 2 13 VAL HG21 H -5.054 -9.038 -3.857 1.00 . B A . 13 VAL HG21 1 1 5 3948 2 2 13 VAL HG22 H -6.773 -9.276 -3.548 1.00 . B A . 13 VAL HG22 1 1 5 3949 2 2 13 VAL HG23 H -6.073 -9.805 -5.078 1.00 . B A . 13 VAL HG23 1 1 5 3950 2 2 13 VAL N N -6.430 -10.310 -1.180 1.00 . B A . 13 VAL N 1 1 5 3951 2 2 13 VAL O O -2.996 -11.006 -1.372 1.00 . B A . 13 VAL O 1 1 5 3952 2 2 14 GLY C C -2.595 -7.150 -2.274 1.00 . B A . 14 GLY C 1 1 5 3953 2 2 14 GLY CA C -2.780 -8.283 -1.314 1.00 . B A . 14 GLY CA 1 1 5 3954 2 2 14 GLY H H -4.787 -8.574 -1.914 1.00 . B A . 14 GLY H 1 1 5 3955 2 2 14 GLY HA2 H -2.866 -7.886 -0.314 1.00 . B A . 14 GLY HA2 1 1 5 3956 2 2 14 GLY HA3 H -1.914 -8.919 -1.347 1.00 . B A . 14 GLY HA3 1 1 5 3957 2 2 14 GLY N N -3.970 -9.029 -1.621 1.00 . B A . 14 GLY N 1 1 5 3958 2 2 14 GLY O O -3.392 -6.993 -3.210 1.00 . B A . 14 GLY O 1 1 5 3959 2 2 15 CYS C C 0.115 -4.975 -3.114 1.00 . B A . 15 CYS C 1 1 5 3960 2 2 15 CYS CA C -1.356 -5.208 -2.894 1.00 . B A . 15 CYS CA 1 1 5 3961 2 2 15 CYS CB C -1.988 -3.964 -2.276 1.00 . B A . 15 CYS CB 1 1 5 3962 2 2 15 CYS H H -0.988 -6.515 -1.299 1.00 . B A . 15 CYS H 1 1 5 3963 2 2 15 CYS HA H -1.831 -5.384 -3.847 1.00 . B A . 15 CYS HA 1 1 5 3964 2 2 15 CYS HB2 H -1.704 -3.119 -2.888 1.00 . B A . 15 CYS HB2 1 1 5 3965 2 2 15 CYS HB3 H -3.058 -4.073 -2.317 1.00 . B A . 15 CYS HB3 1 1 5 3966 2 2 15 CYS N N -1.594 -6.353 -2.057 1.00 . B A . 15 CYS N 1 1 5 3967 2 2 15 CYS O O 0.957 -5.386 -2.299 1.00 . B A . 15 CYS O 1 1 5 3968 2 2 15 CYS SG S -1.462 -3.594 -0.547 1.00 . B A . 15 CYS SG 1 1 5 3969 2 2 16 THR C C 2.071 -2.616 -3.956 1.00 . B A . 16 THR C 1 1 5 3970 2 2 16 THR CA C 1.757 -3.982 -4.534 1.00 . B A . 16 THR CA 1 1 5 3971 2 2 16 THR CB C 1.988 -4.032 -6.056 1.00 . B A . 16 THR CB 1 1 5 3972 2 2 16 THR CG2 C 2.124 -5.467 -6.534 1.00 . B A . 16 THR CG2 1 1 5 3973 2 2 16 THR H H -0.267 -4.030 -4.833 1.00 . B A . 16 THR H 1 1 5 3974 2 2 16 THR HA H 2.400 -4.704 -4.056 1.00 . B A . 16 THR HA 1 1 5 3975 2 2 16 THR HB H 2.897 -3.495 -6.284 1.00 . B A . 16 THR HB 1 1 5 3976 2 2 16 THR HG1 H 0.800 -3.784 -7.610 1.00 . B A . 16 THR HG1 1 1 5 3977 2 2 16 THR HG21 H 2.968 -5.934 -6.047 1.00 . B A . 16 THR HG21 1 1 5 3978 2 2 16 THR HG22 H 2.277 -5.473 -7.602 1.00 . B A . 16 THR HG22 1 1 5 3979 2 2 16 THR HG23 H 1.222 -6.012 -6.295 1.00 . B A . 16 THR HG23 1 1 5 3980 2 2 16 THR N N 0.424 -4.329 -4.208 1.00 . B A . 16 THR N 1 1 5 3981 2 2 16 THR O O 1.217 -1.748 -3.899 1.00 . B A . 16 THR O 1 1 5 3982 2 2 16 THR OG1 O 0.891 -3.405 -6.725 1.00 . B A . 16 THR OG1 1 1 5 3983 2 2 17 LYS C C 3.535 0.042 -3.619 1.00 . B A . 17 LYS C 1 1 5 3984 2 2 17 LYS CA C 3.728 -1.251 -2.807 1.00 . B A . 17 LYS CA 1 1 5 3985 2 2 17 LYS CB C 5.172 -1.481 -2.380 1.00 . B A . 17 LYS CB 1 1 5 3986 2 2 17 LYS CD C 4.827 -1.294 0.086 1.00 . B A . 17 LYS CD 1 1 5 3987 2 2 17 LYS CE C 5.370 -0.750 1.394 1.00 . B A . 17 LYS CE 1 1 5 3988 2 2 17 LYS CG C 5.613 -0.785 -1.118 1.00 . B A . 17 LYS CG 1 1 5 3989 2 2 17 LYS H H 3.891 -3.192 -3.708 1.00 . B A . 17 LYS H 1 1 5 3990 2 2 17 LYS HA H 3.113 -1.079 -1.932 1.00 . B A . 17 LYS HA 1 1 5 3991 2 2 17 LYS HB2 H 5.238 -2.539 -2.187 1.00 . B A . 17 LYS HB2 1 1 5 3992 2 2 17 LYS HB3 H 5.865 -1.246 -3.176 1.00 . B A . 17 LYS HB3 1 1 5 3993 2 2 17 LYS HD2 H 3.795 -0.990 -0.005 1.00 . B A . 17 LYS HD2 1 1 5 3994 2 2 17 LYS HD3 H 4.884 -2.372 0.106 1.00 . B A . 17 LYS HD3 1 1 5 3995 2 2 17 LYS HE2 H 5.310 0.328 1.377 1.00 . B A . 17 LYS HE2 1 1 5 3996 2 2 17 LYS HE3 H 4.765 -1.128 2.205 1.00 . B A . 17 LYS HE3 1 1 5 3997 2 2 17 LYS HG2 H 6.656 -1.030 -0.973 1.00 . B A . 17 LYS HG2 1 1 5 3998 2 2 17 LYS HG3 H 5.476 0.280 -1.223 1.00 . B A . 17 LYS HG3 1 1 5 3999 2 2 17 LYS HZ1 H 6.891 -2.180 1.487 1.00 . B A . 17 LYS HZ1 1 1 5 4000 2 2 17 LYS HZ2 H 7.076 -0.899 2.580 1.00 . B A . 17 LYS HZ2 1 1 5 4001 2 2 17 LYS HZ3 H 7.411 -0.667 0.948 1.00 . B A . 17 LYS HZ3 1 1 5 4002 2 2 17 LYS N N 3.277 -2.446 -3.535 1.00 . B A . 17 LYS N 1 1 5 4003 2 2 17 LYS NZ N 6.776 -1.147 1.615 1.00 . B A . 17 LYS NZ 1 1 5 4004 2 2 17 LYS O O 3.072 1.044 -3.073 1.00 . B A . 17 LYS O 1 1 5 4005 2 2 18 ARG C C 2.076 1.445 -5.940 1.00 . B A . 18 ARG C 1 1 5 4006 2 2 18 ARG CA C 3.569 1.196 -5.757 1.00 . B A . 18 ARG CA 1 1 5 4007 2 2 18 ARG CB C 4.265 1.119 -7.111 1.00 . B A . 18 ARG CB 1 1 5 4008 2 2 18 ARG CD C 6.005 2.899 -6.739 1.00 . B A . 18 ARG CD 1 1 5 4009 2 2 18 ARG CG C 5.755 1.434 -7.083 1.00 . B A . 18 ARG CG 1 1 5 4010 2 2 18 ARG CZ C 4.968 5.059 -7.460 1.00 . B A . 18 ARG CZ 1 1 5 4011 2 2 18 ARG H H 4.230 -0.789 -5.304 1.00 . B A . 18 ARG H 1 1 5 4012 2 2 18 ARG HA H 3.965 2.038 -5.208 1.00 . B A . 18 ARG HA 1 1 5 4013 2 2 18 ARG HB2 H 4.129 0.129 -7.514 1.00 . B A . 18 ARG HB2 1 1 5 4014 2 2 18 ARG HB3 H 3.785 1.826 -7.772 1.00 . B A . 18 ARG HB3 1 1 5 4015 2 2 18 ARG HD2 H 5.654 3.102 -5.738 1.00 . B A . 18 ARG HD2 1 1 5 4016 2 2 18 ARG HD3 H 7.067 3.091 -6.791 1.00 . B A . 18 ARG HD3 1 1 5 4017 2 2 18 ARG HE H 5.085 3.354 -8.541 1.00 . B A . 18 ARG HE 1 1 5 4018 2 2 18 ARG HG2 H 6.219 0.812 -6.333 1.00 . B A . 18 ARG HG2 1 1 5 4019 2 2 18 ARG HG3 H 6.183 1.218 -8.050 1.00 . B A . 18 ARG HG3 1 1 5 4020 2 2 18 ARG HH11 H 5.970 5.265 -5.666 1.00 . B A . 18 ARG HH11 1 1 5 4021 2 2 18 ARG HH12 H 5.108 6.637 -6.139 1.00 . B A . 18 ARG HH12 1 1 5 4022 2 2 18 ARG HH21 H 3.940 5.290 -9.225 1.00 . B A . 18 ARG HH21 1 1 5 4023 2 2 18 ARG HH22 H 3.955 6.664 -8.209 1.00 . B A . 18 ARG HH22 1 1 5 4024 2 2 18 ARG N N 3.827 0.017 -4.913 1.00 . B A . 18 ARG N 1 1 5 4025 2 2 18 ARG NE N 5.319 3.788 -7.688 1.00 . B A . 18 ARG NE 1 1 5 4026 2 2 18 ARG NH1 N 5.382 5.693 -6.354 1.00 . B A . 18 ARG NH1 1 1 5 4027 2 2 18 ARG NH2 N 4.239 5.714 -8.365 1.00 . B A . 18 ARG NH2 1 1 5 4028 2 2 18 ARG O O 1.657 2.561 -6.220 1.00 . B A . 18 ARG O 1 1 5 4029 2 2 19 SER C C -0.681 1.313 -4.667 1.00 . B A . 19 SER C 1 1 5 4030 2 2 19 SER CA C -0.138 0.516 -5.857 1.00 . B A . 19 SER CA 1 1 5 4031 2 2 19 SER CB C -0.761 -0.894 -5.958 1.00 . B A . 19 SER CB 1 1 5 4032 2 2 19 SER H H 1.674 -0.428 -5.424 1.00 . B A . 19 SER H 1 1 5 4033 2 2 19 SER HA H -0.342 1.068 -6.762 1.00 . B A . 19 SER HA 1 1 5 4034 2 2 19 SER HB2 H -0.257 -1.419 -6.755 1.00 . B A . 19 SER HB2 1 1 5 4035 2 2 19 SER HB3 H -0.585 -1.439 -5.040 1.00 . B A . 19 SER HB3 1 1 5 4036 2 2 19 SER HG H -2.277 -0.415 -7.086 1.00 . B A . 19 SER HG 1 1 5 4037 2 2 19 SER N N 1.289 0.421 -5.723 1.00 . B A . 19 SER N 1 1 5 4038 2 2 19 SER O O -1.554 2.159 -4.824 1.00 . B A . 19 SER O 1 1 5 4039 2 2 19 SER OG O -2.151 -0.867 -6.241 1.00 . B A . 19 SER OG 1 1 5 4040 2 2 20 LEU C C 0.031 3.299 -2.514 1.00 . B A . 20 LEU C 1 1 5 4041 2 2 20 LEU CA C -0.527 1.923 -2.334 1.00 . B A . 20 LEU CA 1 1 5 4042 2 2 20 LEU CB C -0.132 1.417 -0.912 1.00 . B A . 20 LEU CB 1 1 5 4043 2 2 20 LEU CD1 C 0.638 -0.952 -1.066 1.00 . B A . 20 LEU CD1 1 1 5 4044 2 2 20 LEU CD2 C -0.476 -0.174 0.986 1.00 . B A . 20 LEU CD2 1 1 5 4045 2 2 20 LEU CG C -0.410 -0.037 -0.519 1.00 . B A . 20 LEU CG 1 1 5 4046 2 2 20 LEU H H 0.558 0.385 -3.395 1.00 . B A . 20 LEU H 1 1 5 4047 2 2 20 LEU HA H -1.594 2.029 -2.407 1.00 . B A . 20 LEU HA 1 1 5 4048 2 2 20 LEU HB2 H 0.864 1.717 -0.626 1.00 . B A . 20 LEU HB2 1 1 5 4049 2 2 20 LEU HB3 H -0.741 2.005 -0.250 1.00 . B A . 20 LEU HB3 1 1 5 4050 2 2 20 LEU HD11 H 0.388 -1.970 -0.809 1.00 . B A . 20 LEU HD11 1 1 5 4051 2 2 20 LEU HD12 H 1.589 -0.694 -0.627 1.00 . B A . 20 LEU HD12 1 1 5 4052 2 2 20 LEU HD13 H 0.691 -0.855 -2.141 1.00 . B A . 20 LEU HD13 1 1 5 4053 2 2 20 LEU HD21 H 0.477 0.118 1.401 1.00 . B A . 20 LEU HD21 1 1 5 4054 2 2 20 LEU HD22 H -0.674 -1.205 1.240 1.00 . B A . 20 LEU HD22 1 1 5 4055 2 2 20 LEU HD23 H -1.260 0.456 1.380 1.00 . B A . 20 LEU HD23 1 1 5 4056 2 2 20 LEU HG H -1.365 -0.338 -0.923 1.00 . B A . 20 LEU HG 1 1 5 4057 2 2 20 LEU N N -0.109 1.100 -3.471 1.00 . B A . 20 LEU N 1 1 5 4058 2 2 20 LEU O O -0.627 4.285 -2.225 1.00 . B A . 20 LEU O 1 1 5 4059 2 2 21 ALA C C 1.226 5.572 -4.184 1.00 . B A . 21 ALA C 1 1 5 4060 2 2 21 ALA CA C 1.968 4.595 -3.267 1.00 . B A . 21 ALA CA 1 1 5 4061 2 2 21 ALA CB C 3.340 4.305 -3.845 1.00 . B A . 21 ALA CB 1 1 5 4062 2 2 21 ALA H H 1.629 2.466 -3.267 1.00 . B A . 21 ALA H 1 1 5 4063 2 2 21 ALA HA H 2.110 5.066 -2.306 1.00 . B A . 21 ALA HA 1 1 5 4064 2 2 21 ALA HB1 H 3.225 3.968 -4.864 1.00 . B A . 21 ALA HB1 1 1 5 4065 2 2 21 ALA HB2 H 3.815 3.522 -3.273 1.00 . B A . 21 ALA HB2 1 1 5 4066 2 2 21 ALA HB3 H 3.947 5.197 -3.826 1.00 . B A . 21 ALA HB3 1 1 5 4067 2 2 21 ALA N N 1.231 3.342 -3.042 1.00 . B A . 21 ALA N 1 1 5 4068 2 2 21 ALA O O 1.273 6.787 -3.978 1.00 . B A . 21 ALA O 1 1 5 4069 2 2 22 ARG C C -1.505 6.400 -5.655 1.00 . B A . 22 ARG C 1 1 5 4070 2 2 22 ARG CA C -0.154 5.885 -6.159 1.00 . B A . 22 ARG CA 1 1 5 4071 2 2 22 ARG CB C -0.318 5.168 -7.505 1.00 . B A . 22 ARG CB 1 1 5 4072 2 2 22 ARG CD C -1.399 3.351 -8.840 1.00 . B A . 22 ARG CD 1 1 5 4073 2 2 22 ARG CG C -1.198 3.937 -7.459 1.00 . B A . 22 ARG CG 1 1 5 4074 2 2 22 ARG CZ C -2.291 4.083 -11.051 1.00 . B A . 22 ARG CZ 1 1 5 4075 2 2 22 ARG H H 0.485 4.062 -5.251 1.00 . B A . 22 ARG H 1 1 5 4076 2 2 22 ARG HA H 0.482 6.745 -6.310 1.00 . B A . 22 ARG HA 1 1 5 4077 2 2 22 ARG HB2 H -0.752 5.855 -8.215 1.00 . B A . 22 ARG HB2 1 1 5 4078 2 2 22 ARG HB3 H 0.658 4.873 -7.859 1.00 . B A . 22 ARG HB3 1 1 5 4079 2 2 22 ARG HD2 H -0.435 3.089 -9.249 1.00 . B A . 22 ARG HD2 1 1 5 4080 2 2 22 ARG HD3 H -2.014 2.468 -8.757 1.00 . B A . 22 ARG HD3 1 1 5 4081 2 2 22 ARG HE H -2.315 5.159 -9.347 1.00 . B A . 22 ARG HE 1 1 5 4082 2 2 22 ARG HG2 H -0.732 3.198 -6.824 1.00 . B A . 22 ARG HG2 1 1 5 4083 2 2 22 ARG HG3 H -2.159 4.210 -7.049 1.00 . B A . 22 ARG HG3 1 1 5 4084 2 2 22 ARG HH11 H -1.556 2.173 -11.053 1.00 . B A . 22 ARG HH11 1 1 5 4085 2 2 22 ARG HH12 H -2.125 2.703 -12.567 1.00 . B A . 22 ARG HH12 1 1 5 4086 2 2 22 ARG HH21 H -3.119 5.927 -11.403 1.00 . B A . 22 ARG HH21 1 1 5 4087 2 2 22 ARG HH22 H -3.061 4.923 -12.772 1.00 . B A . 22 ARG HH22 1 1 5 4088 2 2 22 ARG N N 0.527 5.042 -5.174 1.00 . B A . 22 ARG N 1 1 5 4089 2 2 22 ARG NE N -2.054 4.302 -9.753 1.00 . B A . 22 ARG NE 1 1 5 4090 2 2 22 ARG NH1 N -1.972 2.906 -11.597 1.00 . B A . 22 ARG NH1 1 1 5 4091 2 2 22 ARG NH2 N -2.862 5.039 -11.794 1.00 . B A . 22 ARG NH2 1 1 5 4092 2 2 22 ARG O O -2.169 7.195 -6.328 1.00 . B A . 22 ARG O 1 1 5 4093 2 2 23 PHE C C -2.854 7.072 -2.594 1.00 . B A . 23 PHE C 1 1 5 4094 2 2 23 PHE CA C -3.153 6.420 -3.906 1.00 . B A . 23 PHE CA 1 1 5 4095 2 2 23 PHE CB C -4.186 5.305 -3.751 1.00 . B A . 23 PHE CB 1 1 5 4096 2 2 23 PHE CD1 C -5.598 5.488 -5.808 1.00 . B A . 23 PHE CD1 1 1 5 4097 2 2 23 PHE CD2 C -4.238 3.555 -5.540 1.00 . B A . 23 PHE CD2 1 1 5 4098 2 2 23 PHE CE1 C -6.049 5.006 -7.015 1.00 . B A . 23 PHE CE1 1 1 5 4099 2 2 23 PHE CE2 C -4.684 3.068 -6.746 1.00 . B A . 23 PHE CE2 1 1 5 4100 2 2 23 PHE CG C -4.685 4.767 -5.057 1.00 . B A . 23 PHE CG 1 1 5 4101 2 2 23 PHE CZ C -5.589 3.794 -7.483 1.00 . B A . 23 PHE CZ 1 1 5 4102 2 2 23 PHE H H -1.365 5.285 -4.029 1.00 . B A . 23 PHE H 1 1 5 4103 2 2 23 PHE HA H -3.546 7.182 -4.557 1.00 . B A . 23 PHE HA 1 1 5 4104 2 2 23 PHE HB2 H -3.744 4.488 -3.200 1.00 . B A . 23 PHE HB2 1 1 5 4105 2 2 23 PHE HB3 H -5.029 5.691 -3.201 1.00 . B A . 23 PHE HB3 1 1 5 4106 2 2 23 PHE HD1 H -5.956 6.438 -5.439 1.00 . B A . 23 PHE HD1 1 1 5 4107 2 2 23 PHE HD2 H -3.525 2.985 -4.963 1.00 . B A . 23 PHE HD2 1 1 5 4108 2 2 23 PHE HE1 H -6.761 5.576 -7.594 1.00 . B A . 23 PHE HE1 1 1 5 4109 2 2 23 PHE HE2 H -4.323 2.118 -7.112 1.00 . B A . 23 PHE HE2 1 1 5 4110 2 2 23 PHE HZ H -5.939 3.412 -8.430 1.00 . B A . 23 PHE HZ 1 1 5 4111 2 2 23 PHE N N -1.919 5.944 -4.501 1.00 . B A . 23 PHE N 1 1 5 4112 2 2 23 PHE O O -3.003 8.279 -2.442 1.00 . B A . 23 PHE O 1 1 5 4113 2 2 24 CYS C C -3.077 7.398 0.401 1.00 . B A . 24 CYS C 1 1 5 4114 2 2 24 CYS CA C -1.938 6.681 -0.370 1.00 . B A . 24 CYS CA 1 1 5 4115 2 2 24 CYS CB C -0.691 7.557 -0.578 1.00 . B A . 24 CYS CB 1 1 5 4116 2 2 24 CYS H H -2.309 5.322 -1.934 1.00 . B A . 24 CYS H 1 1 5 4117 2 2 24 CYS HA H -1.655 5.793 0.174 1.00 . B A . 24 CYS HA 1 1 5 4118 2 2 24 CYS HB2 H -0.035 7.047 -1.268 1.00 . B A . 24 CYS HB2 1 1 5 4119 2 2 24 CYS HB3 H -0.999 8.483 -1.040 1.00 . B A . 24 CYS HB3 1 1 5 4120 2 2 24 CYS N N -2.389 6.265 -1.686 1.00 . B A . 24 CYS N 1 1 5 4121 2 2 24 CYS O O -4.079 6.761 0.770 1.00 . B A . 24 CYS O 1 1 5 4122 2 2 24 CYS SG S 0.313 7.955 0.869 1.00 . B A . 24 CYS SG 1 1 5 4123 2 2 25 NH2 HN1 H -2.180 9.165 0.268 1.00 . B A . 25 NH2 HN1 1 1 5 4124 2 2 25 NH2 HN2 H -3.739 9.155 1.013 1.00 . B A . 25 NH2 HN2 1 1 5 4125 2 2 25 NH2 N N -2.988 8.701 0.576 1.00 . B A . 25 NH2 N 1 1 6 4126 1 1 1 ASP C C 12.555 -2.748 0.705 1.00 . A B . 1 ASP C 1 1 6 4127 1 1 1 ASP CA C 12.172 -3.486 1.965 1.00 . A B . 1 ASP CA 1 1 6 4128 1 1 1 ASP CB C 13.437 -3.902 2.718 1.00 . A B . 1 ASP CB 1 1 6 4129 1 1 1 ASP CG C 14.201 -2.729 3.294 1.00 . A B . 1 ASP CG 1 1 6 4130 1 1 1 ASP H1 H 11.097 -5.186 2.502 1.00 . A B . 1 ASP H1 1 1 6 4131 1 1 1 ASP H2 H 11.797 -5.313 0.970 1.00 . A B . 1 ASP H2 1 1 6 4132 1 1 1 ASP H3 H 10.451 -4.347 1.211 1.00 . A B . 1 ASP H3 1 1 6 4133 1 1 1 ASP HA H 11.595 -2.799 2.563 1.00 . A B . 1 ASP HA 1 1 6 4134 1 1 1 ASP HB2 H 13.167 -4.574 3.517 1.00 . A B . 1 ASP HB2 1 1 6 4135 1 1 1 ASP HB3 H 14.085 -4.427 2.032 1.00 . A B . 1 ASP HB3 1 1 6 4136 1 1 1 ASP N N 11.351 -4.663 1.642 1.00 . A B . 1 ASP N 1 1 6 4137 1 1 1 ASP O O 12.519 -1.519 0.665 1.00 . A B . 1 ASP O 1 1 6 4138 1 1 1 ASP OD1 O 14.947 -2.046 2.562 1.00 . A B . 1 ASP OD1 1 1 6 4139 1 1 1 ASP OD2 O 14.071 -2.472 4.504 1.00 . A B . 1 ASP OD2 1 1 6 4140 1 1 2 SER C C 12.094 -2.344 -2.248 1.00 . A B . 2 SER C 1 1 6 4141 1 1 2 SER CA C 13.328 -2.934 -1.574 1.00 . A B . 2 SER CA 1 1 6 4142 1 1 2 SER CB C 13.940 -4.018 -2.418 1.00 . A B . 2 SER CB 1 1 6 4143 1 1 2 SER H H 12.978 -4.468 -0.206 1.00 . A B . 2 SER H 1 1 6 4144 1 1 2 SER HA H 14.050 -2.153 -1.404 1.00 . A B . 2 SER HA 1 1 6 4145 1 1 2 SER HB2 H 13.131 -4.623 -2.787 1.00 . A B . 2 SER HB2 1 1 6 4146 1 1 2 SER HB3 H 14.464 -3.576 -3.251 1.00 . A B . 2 SER HB3 1 1 6 4147 1 1 2 SER HG H 15.347 -4.162 -1.083 1.00 . A B . 2 SER HG 1 1 6 4148 1 1 2 SER N N 12.942 -3.494 -0.303 1.00 . A B . 2 SER N 1 1 6 4149 1 1 2 SER O O 11.085 -3.000 -2.381 1.00 . A B . 2 SER O 1 1 6 4150 1 1 2 SER OG O 14.865 -4.791 -1.638 1.00 . A B . 2 SER OG 1 1 6 4151 1 1 3 TRP C C 10.684 -0.591 -4.567 1.00 . A B . 3 TRP C 1 1 6 4152 1 1 3 TRP CA C 11.109 -0.330 -3.148 1.00 . A B . 3 TRP CA 1 1 6 4153 1 1 3 TRP CB C 11.390 1.153 -2.919 1.00 . A B . 3 TRP CB 1 1 6 4154 1 1 3 TRP CD1 C 12.849 1.831 -0.945 1.00 . A B . 3 TRP CD1 1 1 6 4155 1 1 3 TRP CD2 C 10.732 1.385 -0.397 1.00 . A B . 3 TRP CD2 1 1 6 4156 1 1 3 TRP CE2 C 11.426 1.748 0.768 1.00 . A B . 3 TRP CE2 1 1 6 4157 1 1 3 TRP CE3 C 9.378 1.049 -0.297 1.00 . A B . 3 TRP CE3 1 1 6 4158 1 1 3 TRP CG C 11.661 1.467 -1.485 1.00 . A B . 3 TRP CG 1 1 6 4159 1 1 3 TRP CH2 C 9.497 1.439 2.082 1.00 . A B . 3 TRP CH2 1 1 6 4160 1 1 3 TRP CZ2 C 10.814 1.782 2.018 1.00 . A B . 3 TRP CZ2 1 1 6 4161 1 1 3 TRP CZ3 C 8.783 1.077 0.936 1.00 . A B . 3 TRP CZ3 1 1 6 4162 1 1 3 TRP H H 13.149 -0.842 -2.807 1.00 . A B . 3 TRP H 1 1 6 4163 1 1 3 TRP HA H 10.277 -0.602 -2.515 1.00 . A B . 3 TRP HA 1 1 6 4164 1 1 3 TRP HB2 H 12.254 1.445 -3.498 1.00 . A B . 3 TRP HB2 1 1 6 4165 1 1 3 TRP HB3 H 10.534 1.731 -3.234 1.00 . A B . 3 TRP HB3 1 1 6 4166 1 1 3 TRP HD1 H 13.753 1.964 -1.521 1.00 . A B . 3 TRP HD1 1 1 6 4167 1 1 3 TRP HE1 H 13.447 2.298 1.004 1.00 . A B . 3 TRP HE1 1 1 6 4168 1 1 3 TRP HE3 H 8.788 0.773 -1.158 1.00 . A B . 3 TRP HE3 1 1 6 4169 1 1 3 TRP HH2 H 8.984 1.445 3.032 1.00 . A B . 3 TRP HH2 1 1 6 4170 1 1 3 TRP HZ2 H 11.352 2.061 2.911 1.00 . A B . 3 TRP HZ2 1 1 6 4171 1 1 3 TRP HZ3 H 7.745 0.790 1.018 1.00 . A B . 3 TRP HZ3 1 1 6 4172 1 1 3 TRP N N 12.229 -1.155 -2.712 1.00 . A B . 3 TRP N 1 1 6 4173 1 1 3 TRP NE1 N 12.719 2.023 0.405 1.00 . A B . 3 TRP NE1 1 1 6 4174 1 1 3 TRP O O 9.716 0.001 -5.044 1.00 . A B . 3 TRP O 1 1 6 4175 1 1 4 MET C C 9.808 -2.495 -6.733 1.00 . A B . 4 MET C 1 1 6 4176 1 1 4 MET CA C 11.121 -1.717 -6.633 1.00 . A B . 4 MET CA 1 1 6 4177 1 1 4 MET CB C 12.257 -2.487 -7.307 1.00 . A B . 4 MET CB 1 1 6 4178 1 1 4 MET CE C 13.416 -0.516 -9.603 1.00 . A B . 4 MET CE 1 1 6 4179 1 1 4 MET CG C 12.008 -2.779 -8.779 1.00 . A B . 4 MET CG 1 1 6 4180 1 1 4 MET H H 12.226 -1.791 -4.833 1.00 . A B . 4 MET H 1 1 6 4181 1 1 4 MET HA H 10.988 -0.778 -7.152 1.00 . A B . 4 MET HA 1 1 6 4182 1 1 4 MET HB2 H 13.169 -1.916 -7.223 1.00 . A B . 4 MET HB2 1 1 6 4183 1 1 4 MET HB3 H 12.385 -3.428 -6.796 1.00 . A B . 4 MET HB3 1 1 6 4184 1 1 4 MET HE1 H 13.436 0.410 -10.160 1.00 . A B . 4 MET HE1 1 1 6 4185 1 1 4 MET HE2 H 14.167 -1.186 -9.994 1.00 . A B . 4 MET HE2 1 1 6 4186 1 1 4 MET HE3 H 13.619 -0.314 -8.562 1.00 . A B . 4 MET HE3 1 1 6 4187 1 1 4 MET HG2 H 12.843 -3.339 -9.172 1.00 . A B . 4 MET HG2 1 1 6 4188 1 1 4 MET HG3 H 11.108 -3.372 -8.858 1.00 . A B . 4 MET HG3 1 1 6 4189 1 1 4 MET N N 11.438 -1.397 -5.265 1.00 . A B . 4 MET N 1 1 6 4190 1 1 4 MET O O 8.986 -2.205 -7.585 1.00 . A B . 4 MET O 1 1 6 4191 1 1 4 MET SD S 11.797 -1.275 -9.768 1.00 . A B . 4 MET SD 1 1 6 4192 1 1 5 GLU C C 7.503 -4.060 -4.677 1.00 . A B . 5 GLU C 1 1 6 4193 1 1 5 GLU CA C 8.388 -4.248 -5.909 1.00 . A B . 5 GLU CA 1 1 6 4194 1 1 5 GLU CB C 8.722 -5.735 -6.111 1.00 . A B . 5 GLU CB 1 1 6 4195 1 1 5 GLU CD C 8.484 -5.916 -8.621 1.00 . A B . 5 GLU CD 1 1 6 4196 1 1 5 GLU CG C 9.399 -6.069 -7.430 1.00 . A B . 5 GLU CG 1 1 6 4197 1 1 5 GLU H H 10.261 -3.569 -5.136 1.00 . A B . 5 GLU H 1 1 6 4198 1 1 5 GLU HA H 7.829 -3.908 -6.769 1.00 . A B . 5 GLU HA 1 1 6 4199 1 1 5 GLU HB2 H 9.376 -6.056 -5.314 1.00 . A B . 5 GLU HB2 1 1 6 4200 1 1 5 GLU HB3 H 7.804 -6.298 -6.050 1.00 . A B . 5 GLU HB3 1 1 6 4201 1 1 5 GLU HG2 H 10.240 -5.405 -7.561 1.00 . A B . 5 GLU HG2 1 1 6 4202 1 1 5 GLU HG3 H 9.751 -7.089 -7.389 1.00 . A B . 5 GLU HG3 1 1 6 4203 1 1 5 GLU N N 9.594 -3.434 -5.849 1.00 . A B . 5 GLU N 1 1 6 4204 1 1 5 GLU O O 6.641 -3.164 -4.659 1.00 . A B . 5 GLU O 1 1 6 4205 1 1 5 GLU OE1 O 7.675 -6.845 -8.889 1.00 . A B . 5 GLU OE1 1 1 6 4206 1 1 5 GLU OE2 O 8.573 -4.901 -9.347 1.00 . A B . 5 GLU OE2 1 1 6 4207 1 1 6 GLU C C 5.555 -5.346 -2.584 1.00 . A B . 6 GLU C 1 1 6 4208 1 1 6 GLU CA C 7.001 -4.918 -2.387 1.00 . A B . 6 GLU CA 1 1 6 4209 1 1 6 GLU CB C 7.037 -3.584 -1.659 1.00 . A B . 6 GLU CB 1 1 6 4210 1 1 6 GLU CD C 8.972 -4.091 -0.193 1.00 . A B . 6 GLU CD 1 1 6 4211 1 1 6 GLU CG C 8.388 -3.153 -1.195 1.00 . A B . 6 GLU CG 1 1 6 4212 1 1 6 GLU H H 8.492 -5.524 -3.745 1.00 . A B . 6 GLU H 1 1 6 4213 1 1 6 GLU HA H 7.478 -5.658 -1.762 1.00 . A B . 6 GLU HA 1 1 6 4214 1 1 6 GLU HB2 H 6.675 -2.834 -2.345 1.00 . A B . 6 GLU HB2 1 1 6 4215 1 1 6 GLU HB3 H 6.371 -3.628 -0.809 1.00 . A B . 6 GLU HB3 1 1 6 4216 1 1 6 GLU HG2 H 9.051 -3.111 -2.048 1.00 . A B . 6 GLU HG2 1 1 6 4217 1 1 6 GLU HG3 H 8.312 -2.171 -0.752 1.00 . A B . 6 GLU HG3 1 1 6 4218 1 1 6 GLU N N 7.755 -4.887 -3.649 1.00 . A B . 6 GLU N 1 1 6 4219 1 1 6 GLU O O 4.805 -4.726 -3.311 1.00 . A B . 6 GLU O 1 1 6 4220 1 1 6 GLU OE1 O 9.516 -5.135 -0.567 1.00 . A B . 6 GLU OE1 1 1 6 4221 1 1 6 GLU OE2 O 8.904 -3.808 1.015 1.00 . A B . 6 GLU OE2 1 1 6 4222 1 1 7 VAL C C 3.305 -7.066 -0.559 1.00 . A B . 7 VAL C 1 1 6 4223 1 1 7 VAL CA C 3.796 -6.833 -1.965 1.00 . A B . 7 VAL CA 1 1 6 4224 1 1 7 VAL CB C 3.588 -8.094 -2.883 1.00 . A B . 7 VAL CB 1 1 6 4225 1 1 7 VAL CG1 C 4.471 -9.264 -2.466 1.00 . A B . 7 VAL CG1 1 1 6 4226 1 1 7 VAL CG2 C 2.110 -8.514 -2.923 1.00 . A B . 7 VAL CG2 1 1 6 4227 1 1 7 VAL H H 5.805 -6.824 -1.326 1.00 . A B . 7 VAL H 1 1 6 4228 1 1 7 VAL HA H 3.217 -6.009 -2.357 1.00 . A B . 7 VAL HA 1 1 6 4229 1 1 7 VAL HB H 3.881 -7.813 -3.884 1.00 . A B . 7 VAL HB 1 1 6 4230 1 1 7 VAL HG11 H 4.290 -10.100 -3.125 1.00 . A B . 7 VAL HG11 1 1 6 4231 1 1 7 VAL HG12 H 4.237 -9.546 -1.450 1.00 . A B . 7 VAL HG12 1 1 6 4232 1 1 7 VAL HG13 H 5.509 -8.973 -2.529 1.00 . A B . 7 VAL HG13 1 1 6 4233 1 1 7 VAL HG21 H 1.510 -7.705 -3.314 1.00 . A B . 7 VAL HG21 1 1 6 4234 1 1 7 VAL HG22 H 1.769 -8.751 -1.925 1.00 . A B . 7 VAL HG22 1 1 6 4235 1 1 7 VAL HG23 H 1.990 -9.382 -3.553 1.00 . A B . 7 VAL HG23 1 1 6 4236 1 1 7 VAL N N 5.164 -6.372 -1.914 1.00 . A B . 7 VAL N 1 1 6 4237 1 1 7 VAL O O 3.936 -7.784 0.226 1.00 . A B . 7 VAL O 1 1 6 4238 1 1 8 ILE C C 0.316 -7.071 1.115 1.00 . A B . 8 ILE C 1 1 6 4239 1 1 8 ILE CA C 1.720 -6.529 1.126 1.00 . A B . 8 ILE CA 1 1 6 4240 1 1 8 ILE CB C 1.733 -5.175 1.884 1.00 . A B . 8 ILE CB 1 1 6 4241 1 1 8 ILE CD1 C 0.676 -2.841 1.928 1.00 . A B . 8 ILE CD1 1 1 6 4242 1 1 8 ILE CG1 C 0.746 -4.192 1.246 1.00 . A B . 8 ILE CG1 1 1 6 4243 1 1 8 ILE CG2 C 3.146 -4.592 1.930 1.00 . A B . 8 ILE CG2 1 1 6 4244 1 1 8 ILE H H 1.737 -5.897 -0.880 1.00 . A B . 8 ILE H 1 1 6 4245 1 1 8 ILE HA H 2.355 -7.221 1.657 1.00 . A B . 8 ILE HA 1 1 6 4246 1 1 8 ILE HB H 1.429 -5.369 2.900 1.00 . A B . 8 ILE HB 1 1 6 4247 1 1 8 ILE HD11 H 1.649 -2.374 1.903 1.00 . A B . 8 ILE HD11 1 1 6 4248 1 1 8 ILE HD12 H 0.367 -2.972 2.955 1.00 . A B . 8 ILE HD12 1 1 6 4249 1 1 8 ILE HD13 H -0.038 -2.214 1.415 1.00 . A B . 8 ILE HD13 1 1 6 4250 1 1 8 ILE HG12 H 1.026 -4.071 0.215 1.00 . A B . 8 ILE HG12 1 1 6 4251 1 1 8 ILE HG13 H -0.238 -4.637 1.277 1.00 . A B . 8 ILE HG13 1 1 6 4252 1 1 8 ILE HG21 H 3.505 -4.437 0.923 1.00 . A B . 8 ILE HG21 1 1 6 4253 1 1 8 ILE HG22 H 3.804 -5.276 2.445 1.00 . A B . 8 ILE HG22 1 1 6 4254 1 1 8 ILE HG23 H 3.127 -3.647 2.454 1.00 . A B . 8 ILE HG23 1 1 6 4255 1 1 8 ILE N N 2.229 -6.427 -0.210 1.00 . A B . 8 ILE N 1 1 6 4256 1 1 8 ILE O O -0.375 -7.043 0.085 1.00 . A B . 8 ILE O 1 1 6 4257 1 1 9 LYS C C -1.935 -7.629 3.809 1.00 . A B . 9 LYS C 1 1 6 4258 1 1 9 LYS CA C -1.410 -8.102 2.460 1.00 . A B . 9 LYS CA 1 1 6 4259 1 1 9 LYS CB C -1.380 -9.639 2.407 1.00 . A B . 9 LYS CB 1 1 6 4260 1 1 9 LYS CD C -0.923 -11.723 1.057 1.00 . A B . 9 LYS CD 1 1 6 4261 1 1 9 LYS CE C -2.297 -12.326 1.298 1.00 . A B . 9 LYS CE 1 1 6 4262 1 1 9 LYS CG C -0.960 -10.207 1.058 1.00 . A B . 9 LYS CG 1 1 6 4263 1 1 9 LYS H H 0.536 -7.464 3.000 1.00 . A B . 9 LYS H 1 1 6 4264 1 1 9 LYS HA H -2.042 -7.727 1.666 1.00 . A B . 9 LYS HA 1 1 6 4265 1 1 9 LYS HB2 H -0.690 -9.997 3.157 1.00 . A B . 9 LYS HB2 1 1 6 4266 1 1 9 LYS HB3 H -2.370 -10.001 2.639 1.00 . A B . 9 LYS HB3 1 1 6 4267 1 1 9 LYS HD2 H -0.571 -12.050 0.090 1.00 . A B . 9 LYS HD2 1 1 6 4268 1 1 9 LYS HD3 H -0.243 -12.060 1.824 1.00 . A B . 9 LYS HD3 1 1 6 4269 1 1 9 LYS HE2 H -2.665 -11.991 2.256 1.00 . A B . 9 LYS HE2 1 1 6 4270 1 1 9 LYS HE3 H -2.966 -11.992 0.519 1.00 . A B . 9 LYS HE3 1 1 6 4271 1 1 9 LYS HG2 H -1.671 -9.882 0.314 1.00 . A B . 9 LYS HG2 1 1 6 4272 1 1 9 LYS HG3 H 0.020 -9.826 0.808 1.00 . A B . 9 LYS HG3 1 1 6 4273 1 1 9 LYS HZ1 H -1.951 -14.174 0.385 1.00 . A B . 9 LYS HZ1 1 1 6 4274 1 1 9 LYS HZ2 H -3.218 -14.154 1.485 1.00 . A B . 9 LYS HZ2 1 1 6 4275 1 1 9 LYS HZ3 H -1.629 -14.154 2.049 1.00 . A B . 9 LYS HZ3 1 1 6 4276 1 1 9 LYS N N -0.093 -7.536 2.252 1.00 . A B . 9 LYS N 1 1 6 4277 1 1 9 LYS NZ N -2.258 -13.798 1.304 1.00 . A B . 9 LYS NZ 1 1 6 4278 1 1 9 LYS O O -2.119 -8.412 4.752 1.00 . A B . 9 LYS O 1 1 6 4279 1 1 10 LEU C C -3.998 -5.348 5.033 1.00 . A B . 10 LEU C 1 1 6 4280 1 1 10 LEU CA C -2.558 -5.700 5.136 1.00 . A B . 10 LEU CA 1 1 6 4281 1 1 10 LEU CB C -1.734 -4.441 5.430 1.00 . A B . 10 LEU CB 1 1 6 4282 1 1 10 LEU CD1 C 0.449 -5.721 5.672 1.00 . A B . 10 LEU CD1 1 1 6 4283 1 1 10 LEU CD2 C 0.357 -3.319 6.249 1.00 . A B . 10 LEU CD2 1 1 6 4284 1 1 10 LEU CG C -0.427 -4.617 6.229 1.00 . A B . 10 LEU CG 1 1 6 4285 1 1 10 LEU H H -1.973 -5.796 3.112 1.00 . A B . 10 LEU H 1 1 6 4286 1 1 10 LEU HA H -2.449 -6.383 5.964 1.00 . A B . 10 LEU HA 1 1 6 4287 1 1 10 LEU HB2 H -1.515 -3.961 4.491 1.00 . A B . 10 LEU HB2 1 1 6 4288 1 1 10 LEU HB3 H -2.372 -3.770 5.987 1.00 . A B . 10 LEU HB3 1 1 6 4289 1 1 10 LEU HD11 H 0.698 -5.488 4.650 1.00 . A B . 10 LEU HD11 1 1 6 4290 1 1 10 LEU HD12 H -0.087 -6.658 5.708 1.00 . A B . 10 LEU HD12 1 1 6 4291 1 1 10 LEU HD13 H 1.353 -5.797 6.257 1.00 . A B . 10 LEU HD13 1 1 6 4292 1 1 10 LEU HD21 H 1.241 -3.447 6.856 1.00 . A B . 10 LEU HD21 1 1 6 4293 1 1 10 LEU HD22 H -0.247 -2.524 6.658 1.00 . A B . 10 LEU HD22 1 1 6 4294 1 1 10 LEU HD23 H 0.652 -3.064 5.243 1.00 . A B . 10 LEU HD23 1 1 6 4295 1 1 10 LEU HG H -0.707 -4.849 7.245 1.00 . A B . 10 LEU HG 1 1 6 4296 1 1 10 LEU N N -2.111 -6.346 3.910 1.00 . A B . 10 LEU N 1 1 6 4297 1 1 10 LEU O O -4.601 -5.512 3.980 1.00 . A B . 10 LEU O 1 1 6 4298 1 1 11 CYS C C -6.142 -3.320 7.108 1.00 . A B . 11 CYS C 1 1 6 4299 1 1 11 CYS CA C -5.943 -4.485 6.150 1.00 . A B . 11 CYS CA 1 1 6 4300 1 1 11 CYS CB C -6.807 -5.659 6.616 1.00 . A B . 11 CYS CB 1 1 6 4301 1 1 11 CYS H H -3.956 -4.687 6.880 1.00 . A B . 11 CYS H 1 1 6 4302 1 1 11 CYS HA H -6.251 -4.191 5.158 1.00 . A B . 11 CYS HA 1 1 6 4303 1 1 11 CYS HB2 H -6.546 -5.889 7.634 1.00 . A B . 11 CYS HB2 1 1 6 4304 1 1 11 CYS HB3 H -7.830 -5.314 6.580 1.00 . A B . 11 CYS HB3 1 1 6 4305 1 1 11 CYS N N -4.536 -4.845 6.101 1.00 . A B . 11 CYS N 1 1 6 4306 1 1 11 CYS O O -5.229 -2.986 7.868 1.00 . A B . 11 CYS O 1 1 6 4307 1 1 11 CYS SG S -6.699 -7.200 5.632 1.00 . A B . 11 CYS SG 1 1 6 4308 1 1 12 GLY C C -6.685 -0.500 8.076 1.00 . A B . 12 GLY C 1 1 6 4309 1 1 12 GLY CA C -7.699 -1.614 7.932 1.00 . A B . 12 GLY CA 1 1 6 4310 1 1 12 GLY H H -7.935 -2.960 6.323 1.00 . A B . 12 GLY H 1 1 6 4311 1 1 12 GLY HA2 H -8.627 -1.178 7.600 1.00 . A B . 12 GLY HA2 1 1 6 4312 1 1 12 GLY HA3 H -7.872 -2.045 8.905 1.00 . A B . 12 GLY HA3 1 1 6 4313 1 1 12 GLY N N -7.308 -2.687 7.027 1.00 . A B . 12 GLY N 1 1 6 4314 1 1 12 GLY O O -6.142 0.028 7.084 1.00 . A B . 12 GLY O 1 1 6 4315 1 1 13 ARG C C -4.015 0.467 9.323 1.00 . A B . 13 ARG C 1 1 6 4316 1 1 13 ARG CA C -5.455 0.879 9.611 1.00 . A B . 13 ARG CA 1 1 6 4317 1 1 13 ARG CB C -5.609 1.428 11.045 1.00 . A B . 13 ARG CB 1 1 6 4318 1 1 13 ARG CD C -5.333 1.114 13.519 1.00 . A B . 13 ARG CD 1 1 6 4319 1 1 13 ARG CG C -5.275 0.451 12.156 1.00 . A B . 13 ARG CG 1 1 6 4320 1 1 13 ARG CZ C -6.994 2.236 14.995 1.00 . A B . 13 ARG CZ 1 1 6 4321 1 1 13 ARG H H -6.804 -0.702 10.027 1.00 . A B . 13 ARG H 1 1 6 4322 1 1 13 ARG HA H -5.692 1.672 8.916 1.00 . A B . 13 ARG HA 1 1 6 4323 1 1 13 ARG HB2 H -4.966 2.287 11.158 1.00 . A B . 13 ARG HB2 1 1 6 4324 1 1 13 ARG HB3 H -6.632 1.750 11.177 1.00 . A B . 13 ARG HB3 1 1 6 4325 1 1 13 ARG HD2 H -5.002 0.407 14.265 1.00 . A B . 13 ARG HD2 1 1 6 4326 1 1 13 ARG HD3 H -4.665 1.963 13.516 1.00 . A B . 13 ARG HD3 1 1 6 4327 1 1 13 ARG HE H -7.403 1.347 13.241 1.00 . A B . 13 ARG HE 1 1 6 4328 1 1 13 ARG HG2 H -5.997 -0.351 12.140 1.00 . A B . 13 ARG HG2 1 1 6 4329 1 1 13 ARG HG3 H -4.283 0.056 11.993 1.00 . A B . 13 ARG HG3 1 1 6 4330 1 1 13 ARG HH11 H -5.069 2.478 15.616 1.00 . A B . 13 ARG HH11 1 1 6 4331 1 1 13 ARG HH12 H -6.240 3.109 16.676 1.00 . A B . 13 ARG HH12 1 1 6 4332 1 1 13 ARG HH21 H -8.997 2.263 14.640 1.00 . A B . 13 ARG HH21 1 1 6 4333 1 1 13 ARG HH22 H -8.532 3.005 16.104 1.00 . A B . 13 ARG HH22 1 1 6 4334 1 1 13 ARG N N -6.380 -0.184 9.309 1.00 . A B . 13 ARG N 1 1 6 4335 1 1 13 ARG NE N -6.685 1.579 13.872 1.00 . A B . 13 ARG NE 1 1 6 4336 1 1 13 ARG NH1 N -6.039 2.638 15.813 1.00 . A B . 13 ARG NH1 1 1 6 4337 1 1 13 ARG NH2 N -8.257 2.526 15.268 1.00 . A B . 13 ARG NH2 1 1 6 4338 1 1 13 ARG O O -3.118 1.310 9.330 1.00 . A B . 13 ARG O 1 1 6 4339 1 1 14 GLU C C -2.253 -0.818 7.220 1.00 . A B . 14 GLU C 1 1 6 4340 1 1 14 GLU CA C -2.473 -1.263 8.648 1.00 . A B . 14 GLU CA 1 1 6 4341 1 1 14 GLU CB C -2.267 -2.786 8.771 1.00 . A B . 14 GLU CB 1 1 6 4342 1 1 14 GLU CD C -3.499 -3.419 10.910 1.00 . A B . 14 GLU CD 1 1 6 4343 1 1 14 GLU CG C -2.179 -3.347 10.188 1.00 . A B . 14 GLU CG 1 1 6 4344 1 1 14 GLU H H -4.495 -1.501 9.120 1.00 . A B . 14 GLU H 1 1 6 4345 1 1 14 GLU HA H -1.758 -0.745 9.273 1.00 . A B . 14 GLU HA 1 1 6 4346 1 1 14 GLU HB2 H -3.096 -3.275 8.282 1.00 . A B . 14 GLU HB2 1 1 6 4347 1 1 14 GLU HB3 H -1.363 -3.044 8.242 1.00 . A B . 14 GLU HB3 1 1 6 4348 1 1 14 GLU HG2 H -1.770 -4.344 10.138 1.00 . A B . 14 GLU HG2 1 1 6 4349 1 1 14 GLU HG3 H -1.505 -2.723 10.757 1.00 . A B . 14 GLU HG3 1 1 6 4350 1 1 14 GLU N N -3.784 -0.823 9.055 1.00 . A B . 14 GLU N 1 1 6 4351 1 1 14 GLU O O -1.155 -0.435 6.840 1.00 . A B . 14 GLU O 1 1 6 4352 1 1 14 GLU OE1 O -3.969 -2.406 11.428 1.00 . A B . 14 GLU OE1 1 1 6 4353 1 1 14 GLU OE2 O -4.071 -4.516 11.013 1.00 . A B . 14 GLU OE2 1 1 6 4354 1 1 15 LEU C C -2.984 1.139 5.089 1.00 . A B . 15 LEU C 1 1 6 4355 1 1 15 LEU CA C -3.282 -0.330 5.072 1.00 . A B . 15 LEU CA 1 1 6 4356 1 1 15 LEU CB C -4.613 -0.540 4.367 1.00 . A B . 15 LEU CB 1 1 6 4357 1 1 15 LEU CD1 C -6.444 -2.030 3.644 1.00 . A B . 15 LEU CD1 1 1 6 4358 1 1 15 LEU CD2 C -4.117 -2.561 3.025 1.00 . A B . 15 LEU CD2 1 1 6 4359 1 1 15 LEU CG C -5.007 -1.967 4.088 1.00 . A B . 15 LEU CG 1 1 6 4360 1 1 15 LEU H H -4.159 -1.191 6.825 1.00 . A B . 15 LEU H 1 1 6 4361 1 1 15 LEU HA H -2.505 -0.854 4.535 1.00 . A B . 15 LEU HA 1 1 6 4362 1 1 15 LEU HB2 H -5.385 -0.095 4.977 1.00 . A B . 15 LEU HB2 1 1 6 4363 1 1 15 LEU HB3 H -4.579 -0.010 3.426 1.00 . A B . 15 LEU HB3 1 1 6 4364 1 1 15 LEU HD11 H -6.577 -1.408 2.771 1.00 . A B . 15 LEU HD11 1 1 6 4365 1 1 15 LEU HD12 H -7.082 -1.686 4.444 1.00 . A B . 15 LEU HD12 1 1 6 4366 1 1 15 LEU HD13 H -6.699 -3.050 3.400 1.00 . A B . 15 LEU HD13 1 1 6 4367 1 1 15 LEU HD21 H -3.092 -2.552 3.363 1.00 . A B . 15 LEU HD21 1 1 6 4368 1 1 15 LEU HD22 H -4.217 -2.006 2.104 1.00 . A B . 15 LEU HD22 1 1 6 4369 1 1 15 LEU HD23 H -4.434 -3.585 2.882 1.00 . A B . 15 LEU HD23 1 1 6 4370 1 1 15 LEU HG H -4.893 -2.553 4.989 1.00 . A B . 15 LEU HG 1 1 6 4371 1 1 15 LEU N N -3.329 -0.829 6.442 1.00 . A B . 15 LEU N 1 1 6 4372 1 1 15 LEU O O -2.165 1.606 4.334 1.00 . A B . 15 LEU O 1 1 6 4373 1 1 16 VAL C C -1.945 3.537 6.620 1.00 . A B . 16 VAL C 1 1 6 4374 1 1 16 VAL CA C -3.386 3.282 6.164 1.00 . A B . 16 VAL CA 1 1 6 4375 1 1 16 VAL CB C -4.385 3.912 7.173 1.00 . A B . 16 VAL CB 1 1 6 4376 1 1 16 VAL CG1 C -4.207 5.423 7.265 1.00 . A B . 16 VAL CG1 1 1 6 4377 1 1 16 VAL CG2 C -5.816 3.569 6.795 1.00 . A B . 16 VAL CG2 1 1 6 4378 1 1 16 VAL H H -4.262 1.377 6.584 1.00 . A B . 16 VAL H 1 1 6 4379 1 1 16 VAL HA H -3.503 3.755 5.196 1.00 . A B . 16 VAL HA 1 1 6 4380 1 1 16 VAL HB H -4.183 3.492 8.148 1.00 . A B . 16 VAL HB 1 1 6 4381 1 1 16 VAL HG11 H -4.380 5.865 6.295 1.00 . A B . 16 VAL HG11 1 1 6 4382 1 1 16 VAL HG12 H -3.201 5.647 7.587 1.00 . A B . 16 VAL HG12 1 1 6 4383 1 1 16 VAL HG13 H -4.911 5.828 7.977 1.00 . A B . 16 VAL HG13 1 1 6 4384 1 1 16 VAL HG21 H -6.034 3.968 5.816 1.00 . A B . 16 VAL HG21 1 1 6 4385 1 1 16 VAL HG22 H -6.491 4.004 7.517 1.00 . A B . 16 VAL HG22 1 1 6 4386 1 1 16 VAL HG23 H -5.941 2.496 6.782 1.00 . A B . 16 VAL HG23 1 1 6 4387 1 1 16 VAL N N -3.609 1.844 6.015 1.00 . A B . 16 VAL N 1 1 6 4388 1 1 16 VAL O O -1.291 4.439 6.120 1.00 . A B . 16 VAL O 1 1 6 4389 1 1 17 ARG C C 0.872 2.688 6.882 1.00 . A B . 17 ARG C 1 1 6 4390 1 1 17 ARG CA C -0.084 2.765 8.054 1.00 . A B . 17 ARG CA 1 1 6 4391 1 1 17 ARG CB C 0.170 1.544 8.940 1.00 . A B . 17 ARG CB 1 1 6 4392 1 1 17 ARG CD C 1.559 2.676 10.722 1.00 . A B . 17 ARG CD 1 1 6 4393 1 1 17 ARG CG C 1.491 1.550 9.708 1.00 . A B . 17 ARG CG 1 1 6 4394 1 1 17 ARG CZ C 3.307 3.710 12.165 1.00 . A B . 17 ARG CZ 1 1 6 4395 1 1 17 ARG H H -2.071 2.026 7.915 1.00 . A B . 17 ARG H 1 1 6 4396 1 1 17 ARG HA H 0.059 3.667 8.626 1.00 . A B . 17 ARG HA 1 1 6 4397 1 1 17 ARG HB2 H -0.673 1.394 9.587 1.00 . A B . 17 ARG HB2 1 1 6 4398 1 1 17 ARG HB3 H 0.187 0.690 8.279 1.00 . A B . 17 ARG HB3 1 1 6 4399 1 1 17 ARG HD2 H 1.416 3.617 10.217 1.00 . A B . 17 ARG HD2 1 1 6 4400 1 1 17 ARG HD3 H 0.773 2.536 11.449 1.00 . A B . 17 ARG HD3 1 1 6 4401 1 1 17 ARG HE H 3.403 1.893 11.312 1.00 . A B . 17 ARG HE 1 1 6 4402 1 1 17 ARG HG2 H 1.601 0.610 10.228 1.00 . A B . 17 ARG HG2 1 1 6 4403 1 1 17 ARG HG3 H 2.301 1.664 9.002 1.00 . A B . 17 ARG HG3 1 1 6 4404 1 1 17 ARG HH11 H 1.658 4.902 11.951 1.00 . A B . 17 ARG HH11 1 1 6 4405 1 1 17 ARG HH12 H 2.891 5.583 12.900 1.00 . A B . 17 ARG HH12 1 1 6 4406 1 1 17 ARG HH21 H 5.064 2.791 12.582 1.00 . A B . 17 ARG HH21 1 1 6 4407 1 1 17 ARG HH22 H 4.903 4.334 13.298 1.00 . A B . 17 ARG HH22 1 1 6 4408 1 1 17 ARG N N -1.465 2.704 7.543 1.00 . A B . 17 ARG N 1 1 6 4409 1 1 17 ARG NE N 2.848 2.699 11.420 1.00 . A B . 17 ARG NE 1 1 6 4410 1 1 17 ARG NH1 N 2.571 4.804 12.355 1.00 . A B . 17 ARG NH1 1 1 6 4411 1 1 17 ARG NH2 N 4.507 3.613 12.722 1.00 . A B . 17 ARG NH2 1 1 6 4412 1 1 17 ARG O O 1.705 3.579 6.660 1.00 . A B . 17 ARG O 1 1 6 4413 1 1 18 ALA C C 1.389 2.434 3.917 1.00 . A B . 18 ALA C 1 1 6 4414 1 1 18 ALA CA C 1.489 1.314 4.956 1.00 . A B . 18 ALA CA 1 1 6 4415 1 1 18 ALA CB C 1.001 0.006 4.360 1.00 . A B . 18 ALA CB 1 1 6 4416 1 1 18 ALA H H 0.023 0.995 6.485 1.00 . A B . 18 ALA H 1 1 6 4417 1 1 18 ALA HA H 2.522 1.186 5.246 1.00 . A B . 18 ALA HA 1 1 6 4418 1 1 18 ALA HB1 H 1.145 -0.793 5.073 1.00 . A B . 18 ALA HB1 1 1 6 4419 1 1 18 ALA HB2 H 1.522 -0.216 3.442 1.00 . A B . 18 ALA HB2 1 1 6 4420 1 1 18 ALA HB3 H -0.054 0.094 4.147 1.00 . A B . 18 ALA HB3 1 1 6 4421 1 1 18 ALA N N 0.712 1.619 6.151 1.00 . A B . 18 ALA N 1 1 6 4422 1 1 18 ALA O O 2.394 2.848 3.341 1.00 . A B . 18 ALA O 1 1 6 4423 1 1 19 GLN C C 0.561 5.283 3.119 1.00 . A B . 19 GLN C 1 1 6 4424 1 1 19 GLN CA C -0.090 3.969 2.734 1.00 . A B . 19 GLN CA 1 1 6 4425 1 1 19 GLN CB C -1.578 4.206 2.590 1.00 . A B . 19 GLN CB 1 1 6 4426 1 1 19 GLN CD C -3.663 3.675 1.344 1.00 . A B . 19 GLN CD 1 1 6 4427 1 1 19 GLN CG C -2.278 3.239 1.695 1.00 . A B . 19 GLN CG 1 1 6 4428 1 1 19 GLN H H -0.575 2.518 4.188 1.00 . A B . 19 GLN H 1 1 6 4429 1 1 19 GLN HA H 0.297 3.611 1.781 1.00 . A B . 19 GLN HA 1 1 6 4430 1 1 19 GLN HB2 H -1.976 4.046 3.584 1.00 . A B . 19 GLN HB2 1 1 6 4431 1 1 19 GLN HB3 H -1.806 5.225 2.331 1.00 . A B . 19 GLN HB3 1 1 6 4432 1 1 19 GLN HE21 H -2.952 4.605 -0.227 1.00 . A B . 19 GLN HE21 1 1 6 4433 1 1 19 GLN HE22 H -4.665 4.696 -0.002 1.00 . A B . 19 GLN HE22 1 1 6 4434 1 1 19 GLN HG2 H -1.708 3.143 0.785 1.00 . A B . 19 GLN HG2 1 1 6 4435 1 1 19 GLN HG3 H -2.329 2.283 2.196 1.00 . A B . 19 GLN HG3 1 1 6 4436 1 1 19 GLN N N 0.182 2.907 3.694 1.00 . A B . 19 GLN N 1 1 6 4437 1 1 19 GLN NE2 N -3.774 4.399 0.267 1.00 . A B . 19 GLN NE2 1 1 6 4438 1 1 19 GLN O O 1.239 5.875 2.328 1.00 . A B . 19 GLN O 1 1 6 4439 1 1 19 GLN OE1 O -4.633 3.365 2.034 1.00 . A B . 19 GLN OE1 1 1 6 4440 1 1 20 ILE C C 2.436 6.935 4.707 1.00 . A B . 20 ILE C 1 1 6 4441 1 1 20 ILE CA C 0.909 7.009 4.793 1.00 . A B . 20 ILE CA 1 1 6 4442 1 1 20 ILE CB C 0.464 7.366 6.246 1.00 . A B . 20 ILE CB 1 1 6 4443 1 1 20 ILE CD1 C -1.620 8.662 5.447 1.00 . A B . 20 ILE CD1 1 1 6 4444 1 1 20 ILE CG1 C -1.066 7.558 6.332 1.00 . A B . 20 ILE CG1 1 1 6 4445 1 1 20 ILE CG2 C 1.184 8.609 6.759 1.00 . A B . 20 ILE CG2 1 1 6 4446 1 1 20 ILE H H -0.298 5.241 4.899 1.00 . A B . 20 ILE H 1 1 6 4447 1 1 20 ILE HA H 0.581 7.787 4.119 1.00 . A B . 20 ILE HA 1 1 6 4448 1 1 20 ILE HB H 0.742 6.539 6.882 1.00 . A B . 20 ILE HB 1 1 6 4449 1 1 20 ILE HD11 H -1.155 9.600 5.706 1.00 . A B . 20 ILE HD11 1 1 6 4450 1 1 20 ILE HD12 H -2.688 8.736 5.593 1.00 . A B . 20 ILE HD12 1 1 6 4451 1 1 20 ILE HD13 H -1.419 8.431 4.411 1.00 . A B . 20 ILE HD13 1 1 6 4452 1 1 20 ILE HG12 H -1.550 6.637 6.040 1.00 . A B . 20 ILE HG12 1 1 6 4453 1 1 20 ILE HG13 H -1.332 7.783 7.354 1.00 . A B . 20 ILE HG13 1 1 6 4454 1 1 20 ILE HG21 H 0.967 9.441 6.104 1.00 . A B . 20 ILE HG21 1 1 6 4455 1 1 20 ILE HG22 H 2.249 8.428 6.772 1.00 . A B . 20 ILE HG22 1 1 6 4456 1 1 20 ILE HG23 H 0.846 8.841 7.758 1.00 . A B . 20 ILE HG23 1 1 6 4457 1 1 20 ILE N N 0.317 5.750 4.323 1.00 . A B . 20 ILE N 1 1 6 4458 1 1 20 ILE O O 3.108 7.899 4.299 1.00 . A B . 20 ILE O 1 1 6 4459 1 1 21 ALA C C 4.870 5.613 3.506 1.00 . A B . 21 ALA C 1 1 6 4460 1 1 21 ALA CA C 4.379 5.535 4.949 1.00 . A B . 21 ALA CA 1 1 6 4461 1 1 21 ALA CB C 4.708 4.196 5.552 1.00 . A B . 21 ALA CB 1 1 6 4462 1 1 21 ALA H H 2.372 5.045 5.316 1.00 . A B . 21 ALA H 1 1 6 4463 1 1 21 ALA HA H 4.872 6.301 5.529 1.00 . A B . 21 ALA HA 1 1 6 4464 1 1 21 ALA HB1 H 4.329 4.150 6.561 1.00 . A B . 21 ALA HB1 1 1 6 4465 1 1 21 ALA HB2 H 5.779 4.060 5.561 1.00 . A B . 21 ALA HB2 1 1 6 4466 1 1 21 ALA HB3 H 4.249 3.417 4.961 1.00 . A B . 21 ALA HB3 1 1 6 4467 1 1 21 ALA N N 2.964 5.773 5.021 1.00 . A B . 21 ALA N 1 1 6 4468 1 1 21 ALA O O 5.833 6.318 3.209 1.00 . A B . 21 ALA O 1 1 6 4469 1 1 22 ILE C C 4.298 6.270 0.549 1.00 . A B . 22 ILE C 1 1 6 4470 1 1 22 ILE CA C 4.559 4.900 1.208 1.00 . A B . 22 ILE CA 1 1 6 4471 1 1 22 ILE CB C 3.807 3.745 0.411 1.00 . A B . 22 ILE CB 1 1 6 4472 1 1 22 ILE CD1 C 5.959 3.023 -0.774 1.00 . A B . 22 ILE CD1 1 1 6 4473 1 1 22 ILE CG1 C 4.510 3.427 -0.903 1.00 . A B . 22 ILE CG1 1 1 6 4474 1 1 22 ILE CG2 C 2.374 4.112 0.113 1.00 . A B . 22 ILE CG2 1 1 6 4475 1 1 22 ILE H H 3.397 4.405 2.903 1.00 . A B . 22 ILE H 1 1 6 4476 1 1 22 ILE HA H 5.622 4.698 1.177 1.00 . A B . 22 ILE HA 1 1 6 4477 1 1 22 ILE HB H 3.716 2.849 1.001 1.00 . A B . 22 ILE HB 1 1 6 4478 1 1 22 ILE HD11 H 6.043 2.175 -0.112 1.00 . A B . 22 ILE HD11 1 1 6 4479 1 1 22 ILE HD12 H 6.530 3.848 -0.382 1.00 . A B . 22 ILE HD12 1 1 6 4480 1 1 22 ILE HD13 H 6.329 2.762 -1.754 1.00 . A B . 22 ILE HD13 1 1 6 4481 1 1 22 ILE HG12 H 3.990 2.617 -1.391 1.00 . A B . 22 ILE HG12 1 1 6 4482 1 1 22 ILE HG13 H 4.464 4.302 -1.536 1.00 . A B . 22 ILE HG13 1 1 6 4483 1 1 22 ILE HG21 H 2.356 4.961 -0.554 1.00 . A B . 22 ILE HG21 1 1 6 4484 1 1 22 ILE HG22 H 1.896 4.393 1.038 1.00 . A B . 22 ILE HG22 1 1 6 4485 1 1 22 ILE HG23 H 1.864 3.277 -0.339 1.00 . A B . 22 ILE HG23 1 1 6 4486 1 1 22 ILE N N 4.175 4.929 2.608 1.00 . A B . 22 ILE N 1 1 6 4487 1 1 22 ILE O O 4.999 6.672 -0.356 1.00 . A B . 22 ILE O 1 1 6 4488 1 1 23 CYS C C 3.910 9.347 0.863 1.00 . A B . 23 CYS C 1 1 6 4489 1 1 23 CYS CA C 2.910 8.271 0.487 1.00 . A B . 23 CYS CA 1 1 6 4490 1 1 23 CYS CB C 1.499 8.646 0.988 1.00 . A B . 23 CYS CB 1 1 6 4491 1 1 23 CYS H H 2.806 6.632 1.818 1.00 . A B . 23 CYS H 1 1 6 4492 1 1 23 CYS HA H 2.884 8.170 -0.588 1.00 . A B . 23 CYS HA 1 1 6 4493 1 1 23 CYS HB2 H 0.912 7.744 1.074 1.00 . A B . 23 CYS HB2 1 1 6 4494 1 1 23 CYS HB3 H 1.589 9.097 1.966 1.00 . A B . 23 CYS HB3 1 1 6 4495 1 1 23 CYS N N 3.314 6.993 1.056 1.00 . A B . 23 CYS N 1 1 6 4496 1 1 23 CYS O O 4.053 10.353 0.168 1.00 . A B . 23 CYS O 1 1 6 4497 1 1 23 CYS SG S 0.565 9.806 -0.088 1.00 . A B . 23 CYS SG 1 1 6 4498 1 1 24 GLY C C 7.007 9.641 1.874 1.00 . A B . 24 GLY C 1 1 6 4499 1 1 24 GLY CA C 5.632 10.040 2.356 1.00 . A B . 24 GLY CA 1 1 6 4500 1 1 24 GLY H H 4.464 8.300 2.466 1.00 . A B . 24 GLY H 1 1 6 4501 1 1 24 GLY HA2 H 5.387 11.014 1.957 1.00 . A B . 24 GLY HA2 1 1 6 4502 1 1 24 GLY HA3 H 5.637 10.092 3.434 1.00 . A B . 24 GLY HA3 1 1 6 4503 1 1 24 GLY N N 4.631 9.109 1.936 1.00 . A B . 24 GLY N 1 1 6 4504 1 1 24 GLY O O 7.954 10.415 1.984 1.00 . A B . 24 GLY O 1 1 6 4505 1 1 25 MET C C 8.140 6.725 -0.051 1.00 . A B . 25 MET C 1 1 6 4506 1 1 25 MET CA C 8.376 7.921 0.847 1.00 . A B . 25 MET CA 1 1 6 4507 1 1 25 MET CB C 9.294 7.545 2.024 1.00 . A B . 25 MET CB 1 1 6 4508 1 1 25 MET CE C 11.723 9.617 1.659 1.00 . A B . 25 MET CE 1 1 6 4509 1 1 25 MET CG C 10.666 7.029 1.607 1.00 . A B . 25 MET CG 1 1 6 4510 1 1 25 MET H H 6.321 7.899 1.137 1.00 . A B . 25 MET H 1 1 6 4511 1 1 25 MET HA H 8.856 8.693 0.263 1.00 . A B . 25 MET HA 1 1 6 4512 1 1 25 MET HB2 H 9.432 8.415 2.649 1.00 . A B . 25 MET HB2 1 1 6 4513 1 1 25 MET HB3 H 8.804 6.777 2.603 1.00 . A B . 25 MET HB3 1 1 6 4514 1 1 25 MET HE1 H 12.277 10.397 1.157 1.00 . A B . 25 MET HE1 1 1 6 4515 1 1 25 MET HE2 H 12.247 9.327 2.558 1.00 . A B . 25 MET HE2 1 1 6 4516 1 1 25 MET HE3 H 10.740 9.985 1.913 1.00 . A B . 25 MET HE3 1 1 6 4517 1 1 25 MET HG2 H 11.250 6.837 2.495 1.00 . A B . 25 MET HG2 1 1 6 4518 1 1 25 MET HG3 H 10.536 6.106 1.059 1.00 . A B . 25 MET HG3 1 1 6 4519 1 1 25 MET N N 7.113 8.451 1.301 1.00 . A B . 25 MET N 1 1 6 4520 1 1 25 MET O O 8.001 5.594 0.416 1.00 . A B . 25 MET O 1 1 6 4521 1 1 25 MET SD S 11.573 8.197 0.568 1.00 . A B . 25 MET SD 1 1 6 4522 1 1 26 SER C C 9.154 5.637 -2.995 1.00 . A B . 26 SER C 1 1 6 4523 1 1 26 SER CA C 7.820 5.973 -2.342 1.00 . A B . 26 SER CA 1 1 6 4524 1 1 26 SER CB C 6.843 6.459 -3.423 1.00 . A B . 26 SER CB 1 1 6 4525 1 1 26 SER H H 8.000 7.950 -1.581 1.00 . A B . 26 SER H 1 1 6 4526 1 1 26 SER HA H 7.436 5.092 -1.868 1.00 . A B . 26 SER HA 1 1 6 4527 1 1 26 SER HB2 H 7.312 7.245 -3.997 1.00 . A B . 26 SER HB2 1 1 6 4528 1 1 26 SER HB3 H 6.603 5.635 -4.081 1.00 . A B . 26 SER HB3 1 1 6 4529 1 1 26 SER HG H 5.609 6.725 -1.926 1.00 . A B . 26 SER HG 1 1 6 4530 1 1 26 SER N N 8.003 7.004 -1.321 1.00 . A B . 26 SER N 1 1 6 4531 1 1 26 SER O O 9.253 4.759 -3.860 1.00 . A B . 26 SER O 1 1 6 4532 1 1 26 SER OG O 5.636 6.967 -2.864 1.00 . A B . 26 SER OG 1 1 6 4533 1 1 27 THR C C 12.405 5.538 -2.182 1.00 . A B . 27 THR C 1 1 6 4534 1 1 27 THR CA C 11.426 6.233 -3.122 1.00 . A B . 27 THR CA 1 1 6 4535 1 1 27 THR CB C 11.897 7.643 -3.540 1.00 . A B . 27 THR CB 1 1 6 4536 1 1 27 THR CG2 C 11.222 8.072 -4.834 1.00 . A B . 27 THR CG2 1 1 6 4537 1 1 27 THR H H 10.055 6.880 -1.777 1.00 . A B . 27 THR H 1 1 6 4538 1 1 27 THR HA H 11.342 5.638 -4.020 1.00 . A B . 27 THR HA 1 1 6 4539 1 1 27 THR HB H 12.964 7.629 -3.688 1.00 . A B . 27 THR HB 1 1 6 4540 1 1 27 THR HG1 H 12.362 8.710 -1.948 1.00 . A B . 27 THR HG1 1 1 6 4541 1 1 27 THR HG21 H 10.151 8.075 -4.696 1.00 . A B . 27 THR HG21 1 1 6 4542 1 1 27 THR HG22 H 11.482 7.381 -5.622 1.00 . A B . 27 THR HG22 1 1 6 4543 1 1 27 THR HG23 H 11.551 9.067 -5.101 1.00 . A B . 27 THR HG23 1 1 6 4544 1 1 27 THR N N 10.154 6.313 -2.561 1.00 . A B . 27 THR N 1 1 6 4545 1 1 27 THR O O 12.035 5.062 -1.100 1.00 . A B . 27 THR O 1 1 6 4546 1 1 27 THR OG1 O 11.580 8.588 -2.504 1.00 . A B . 27 THR OG1 1 1 6 4547 1 1 28 TRP C C 15.278 5.400 -0.717 1.00 . A B . 28 TRP C 1 1 6 4548 1 1 28 TRP CA C 14.650 4.739 -1.924 1.00 . A B . 28 TRP CA 1 1 6 4549 1 1 28 TRP CB C 15.692 4.247 -2.928 1.00 . A B . 28 TRP CB 1 1 6 4550 1 1 28 TRP CD1 C 15.090 1.947 -3.861 1.00 . A B . 28 TRP CD1 1 1 6 4551 1 1 28 TRP CD2 C 14.435 3.647 -5.163 1.00 . A B . 28 TRP CD2 1 1 6 4552 1 1 28 TRP CE2 C 14.044 2.441 -5.769 1.00 . A B . 28 TRP CE2 1 1 6 4553 1 1 28 TRP CE3 C 14.128 4.853 -5.804 1.00 . A B . 28 TRP CE3 1 1 6 4554 1 1 28 TRP CG C 15.108 3.304 -3.937 1.00 . A B . 28 TRP CG 1 1 6 4555 1 1 28 TRP CH2 C 13.073 3.596 -7.584 1.00 . A B . 28 TRP CH2 1 1 6 4556 1 1 28 TRP CZ2 C 13.361 2.402 -6.981 1.00 . A B . 28 TRP CZ2 1 1 6 4557 1 1 28 TRP CZ3 C 13.450 4.813 -7.006 1.00 . A B . 28 TRP CZ3 1 1 6 4558 1 1 28 TRP H H 13.838 6.109 -3.327 1.00 . A B . 28 TRP H 1 1 6 4559 1 1 28 TRP HA H 14.135 3.869 -1.549 1.00 . A B . 28 TRP HA 1 1 6 4560 1 1 28 TRP HB2 H 16.106 5.094 -3.456 1.00 . A B . 28 TRP HB2 1 1 6 4561 1 1 28 TRP HB3 H 16.482 3.730 -2.402 1.00 . A B . 28 TRP HB3 1 1 6 4562 1 1 28 TRP HD1 H 15.518 1.378 -3.050 1.00 . A B . 28 TRP HD1 1 1 6 4563 1 1 28 TRP HE1 H 14.318 0.465 -5.123 1.00 . A B . 28 TRP HE1 1 1 6 4564 1 1 28 TRP HE3 H 14.411 5.803 -5.372 1.00 . A B . 28 TRP HE3 1 1 6 4565 1 1 28 TRP HH2 H 12.545 3.612 -8.526 1.00 . A B . 28 TRP HH2 1 1 6 4566 1 1 28 TRP HZ2 H 13.062 1.471 -7.439 1.00 . A B . 28 TRP HZ2 1 1 6 4567 1 1 28 TRP HZ3 H 13.204 5.733 -7.515 1.00 . A B . 28 TRP HZ3 1 1 6 4568 1 1 28 TRP N N 13.629 5.528 -2.572 1.00 . A B . 28 TRP N 1 1 6 4569 1 1 28 TRP NE1 N 14.455 1.423 -4.954 1.00 . A B . 28 TRP NE1 1 1 6 4570 1 1 28 TRP O O 16.293 6.115 -0.811 1.00 . A B . 28 TRP O 1 1 6 4571 1 1 29 SER C C 14.581 4.717 2.752 1.00 . A B . 29 SER C 1 1 6 4572 1 1 29 SER CA C 15.106 5.659 1.680 1.00 . A B . 29 SER CA 1 1 6 4573 1 1 29 SER CB C 14.678 7.099 1.953 1.00 . A B . 29 SER CB 1 1 6 4574 1 1 29 SER H H 13.755 4.774 0.353 1.00 . A B . 29 SER H 1 1 6 4575 1 1 29 SER HA H 16.184 5.601 1.667 1.00 . A B . 29 SER HA 1 1 6 4576 1 1 29 SER HB2 H 13.599 7.164 1.937 1.00 . A B . 29 SER HB2 1 1 6 4577 1 1 29 SER HB3 H 15.046 7.410 2.919 1.00 . A B . 29 SER HB3 1 1 6 4578 1 1 29 SER HG H 15.710 7.392 0.360 1.00 . A B . 29 SER HG 1 1 6 4579 1 1 29 SER N N 14.630 5.220 0.397 1.00 . A B . 29 SER N 1 1 6 4580 1 1 29 SER O O 13.426 4.811 3.165 1.00 . A B . 29 SER O 1 1 6 4581 1 1 29 SER OG O 15.207 7.965 0.958 1.00 . A B . 29 SER OG 1 1 6 4582 1 1 30 NH2 HN1 H 16.298 3.753 2.769 1.00 . A B . 30 NH2 HN1 1 1 6 4583 1 1 30 NH2 HN2 H 15.059 3.112 3.783 1.00 . A B . 30 NH2 HN2 1 1 6 4584 1 1 30 NH2 N N 15.390 3.770 3.139 1.00 . A B . 30 NH2 N 1 1 6 4585 2 2 1 PCA C C -12.265 4.496 -3.837 1.00 . B A . 1 PCA C 1 1 6 4586 2 2 1 PCA CA C -13.419 5.361 -3.329 1.00 . B A . 1 PCA CA 1 1 6 4587 2 2 1 PCA CB C -13.085 5.916 -1.960 1.00 . B A . 1 PCA CB 1 1 6 4588 2 2 1 PCA CD C -14.966 4.470 -1.870 1.00 . B A . 1 PCA CD 1 1 6 4589 2 2 1 PCA CG C -14.170 5.432 -1.025 1.00 . B A . 1 PCA CG 1 1 6 4590 2 2 1 PCA HA H -13.581 6.162 -4.039 1.00 . B A . 1 PCA HA 1 1 6 4591 2 2 1 PCA HB2 H -12.116 5.538 -1.634 1.00 . B A . 1 PCA HB2 1 1 6 4592 2 2 1 PCA HB3 H -13.070 7.005 -1.992 1.00 . B A . 1 PCA HB3 1 1 6 4593 2 2 1 PCA HG2 H -13.730 4.931 -0.162 1.00 . B A . 1 PCA HG2 1 1 6 4594 2 2 1 PCA HG3 H -14.818 6.251 -0.714 1.00 . B A . 1 PCA HG3 1 1 6 4595 2 2 1 PCA N N -14.651 4.568 -3.163 1.00 . B A . 1 PCA N 1 1 6 4596 2 2 1 PCA O O -12.203 3.296 -3.530 1.00 . B A . 1 PCA O 1 1 6 4597 2 2 1 PCA OE O -15.800 3.696 -1.404 1.00 . B A . 1 PCA OE 1 1 6 4598 2 2 2 LEU C C -9.287 3.775 -4.124 1.00 . B A . 2 LEU C 1 1 6 4599 2 2 2 LEU CA C -10.227 4.359 -5.175 1.00 . B A . 2 LEU CA 1 1 6 4600 2 2 2 LEU CB C -9.489 5.183 -6.267 1.00 . B A . 2 LEU CB 1 1 6 4601 2 2 2 LEU CD1 C -7.850 6.641 -4.944 1.00 . B A . 2 LEU CD1 1 1 6 4602 2 2 2 LEU CD2 C -8.615 7.347 -7.200 1.00 . B A . 2 LEU CD2 1 1 6 4603 2 2 2 LEU CG C -9.002 6.620 -5.932 1.00 . B A . 2 LEU CG 1 1 6 4604 2 2 2 LEU H H -11.423 6.065 -4.748 1.00 . B A . 2 LEU H 1 1 6 4605 2 2 2 LEU HA H -10.688 3.506 -5.654 1.00 . B A . 2 LEU HA 1 1 6 4606 2 2 2 LEU HB2 H -8.625 4.616 -6.579 1.00 . B A . 2 LEU HB2 1 1 6 4607 2 2 2 LEU HB3 H -10.158 5.250 -7.112 1.00 . B A . 2 LEU HB3 1 1 6 4608 2 2 2 LEU HD11 H -7.541 7.662 -4.769 1.00 . B A . 2 LEU HD11 1 1 6 4609 2 2 2 LEU HD12 H -7.021 6.073 -5.340 1.00 . B A . 2 LEU HD12 1 1 6 4610 2 2 2 LEU HD13 H -8.169 6.199 -4.012 1.00 . B A . 2 LEU HD13 1 1 6 4611 2 2 2 LEU HD21 H -8.240 8.327 -6.946 1.00 . B A . 2 LEU HD21 1 1 6 4612 2 2 2 LEU HD22 H -9.479 7.445 -7.841 1.00 . B A . 2 LEU HD22 1 1 6 4613 2 2 2 LEU HD23 H -7.846 6.789 -7.714 1.00 . B A . 2 LEU HD23 1 1 6 4614 2 2 2 LEU HG H -9.818 7.164 -5.483 1.00 . B A . 2 LEU HG 1 1 6 4615 2 2 2 LEU N N -11.348 5.097 -4.588 1.00 . B A . 2 LEU N 1 1 6 4616 2 2 2 LEU O O -8.684 2.717 -4.330 1.00 . B A . 2 LEU O 1 1 6 4617 2 2 3 TYR C C -9.011 2.738 -1.285 1.00 . B A . 3 TYR C 1 1 6 4618 2 2 3 TYR CA C -8.373 3.960 -1.904 1.00 . B A . 3 TYR CA 1 1 6 4619 2 2 3 TYR CB C -8.161 5.022 -0.839 1.00 . B A . 3 TYR CB 1 1 6 4620 2 2 3 TYR CD1 C -5.961 5.921 -1.678 1.00 . B A . 3 TYR CD1 1 1 6 4621 2 2 3 TYR CD2 C -7.680 7.479 -1.171 1.00 . B A . 3 TYR CD2 1 1 6 4622 2 2 3 TYR CE1 C -5.127 6.954 -2.042 1.00 . B A . 3 TYR CE1 1 1 6 4623 2 2 3 TYR CE2 C -6.849 8.519 -1.536 1.00 . B A . 3 TYR CE2 1 1 6 4624 2 2 3 TYR CG C -7.251 6.164 -1.236 1.00 . B A . 3 TYR CG 1 1 6 4625 2 2 3 TYR CZ C -5.574 8.250 -1.971 1.00 . B A . 3 TYR CZ 1 1 6 4626 2 2 3 TYR H H -9.669 5.300 -2.904 1.00 . B A . 3 TYR H 1 1 6 4627 2 2 3 TYR HA H -7.414 3.678 -2.313 1.00 . B A . 3 TYR HA 1 1 6 4628 2 2 3 TYR HB2 H -9.124 5.441 -0.586 1.00 . B A . 3 TYR HB2 1 1 6 4629 2 2 3 TYR HB3 H -7.757 4.522 0.023 1.00 . B A . 3 TYR HB3 1 1 6 4630 2 2 3 TYR HD1 H -5.608 4.902 -1.736 1.00 . B A . 3 TYR HD1 1 1 6 4631 2 2 3 TYR HD2 H -8.680 7.691 -0.826 1.00 . B A . 3 TYR HD2 1 1 6 4632 2 2 3 TYR HE1 H -4.124 6.744 -2.381 1.00 . B A . 3 TYR HE1 1 1 6 4633 2 2 3 TYR HE2 H -7.201 9.538 -1.477 1.00 . B A . 3 TYR HE2 1 1 6 4634 2 2 3 TYR HH H -4.281 9.064 -3.160 1.00 . B A . 3 TYR HH 1 1 6 4635 2 2 3 TYR N N -9.185 4.449 -2.992 1.00 . B A . 3 TYR N 1 1 6 4636 2 2 3 TYR O O -8.375 1.707 -1.125 1.00 . B A . 3 TYR O 1 1 6 4637 2 2 3 TYR OH O -4.738 9.286 -2.337 1.00 . B A . 3 TYR OH 1 1 6 4638 2 2 4 SER C C -11.134 0.570 -1.321 1.00 . B A . 4 SER C 1 1 6 4639 2 2 4 SER CA C -11.057 1.795 -0.382 1.00 . B A . 4 SER CA 1 1 6 4640 2 2 4 SER CB C -12.440 2.319 -0.042 1.00 . B A . 4 SER CB 1 1 6 4641 2 2 4 SER H H -10.684 3.748 -1.081 1.00 . B A . 4 SER H 1 1 6 4642 2 2 4 SER HA H -10.568 1.494 0.532 1.00 . B A . 4 SER HA 1 1 6 4643 2 2 4 SER HB2 H -12.966 2.567 -0.952 1.00 . B A . 4 SER HB2 1 1 6 4644 2 2 4 SER HB3 H -12.990 1.568 0.506 1.00 . B A . 4 SER HB3 1 1 6 4645 2 2 4 SER HG H -12.995 3.410 1.463 1.00 . B A . 4 SER HG 1 1 6 4646 2 2 4 SER N N -10.272 2.869 -0.961 1.00 . B A . 4 SER N 1 1 6 4647 2 2 4 SER O O -11.131 -0.574 -0.858 1.00 . B A . 4 SER O 1 1 6 4648 2 2 4 SER OG O -12.329 3.490 0.768 1.00 . B A . 4 SER OG 1 1 6 4649 2 2 5 ALA C C -9.899 -1.077 -3.480 1.00 . B A . 5 ALA C 1 1 6 4650 2 2 5 ALA CA C -11.176 -0.260 -3.616 1.00 . B A . 5 ALA CA 1 1 6 4651 2 2 5 ALA CB C -11.284 0.314 -5.018 1.00 . B A . 5 ALA CB 1 1 6 4652 2 2 5 ALA H H -11.249 1.743 -2.942 1.00 . B A . 5 ALA H 1 1 6 4653 2 2 5 ALA HA H -12.027 -0.899 -3.429 1.00 . B A . 5 ALA HA 1 1 6 4654 2 2 5 ALA HB1 H -10.420 0.930 -5.219 1.00 . B A . 5 ALA HB1 1 1 6 4655 2 2 5 ALA HB2 H -12.176 0.919 -5.091 1.00 . B A . 5 ALA HB2 1 1 6 4656 2 2 5 ALA HB3 H -11.330 -0.490 -5.738 1.00 . B A . 5 ALA HB3 1 1 6 4657 2 2 5 ALA N N -11.182 0.814 -2.628 1.00 . B A . 5 ALA N 1 1 6 4658 2 2 5 ALA O O -9.939 -2.308 -3.309 1.00 . B A . 5 ALA O 1 1 6 4659 2 2 6 LEU C C -7.365 -1.671 -1.986 1.00 . B A . 6 LEU C 1 1 6 4660 2 2 6 LEU CA C -7.464 -0.984 -3.345 1.00 . B A . 6 LEU CA 1 1 6 4661 2 2 6 LEU CB C -6.370 0.082 -3.474 1.00 . B A . 6 LEU CB 1 1 6 4662 2 2 6 LEU CD1 C -4.594 -1.303 -4.594 1.00 . B A . 6 LEU CD1 1 1 6 4663 2 2 6 LEU CD2 C -3.960 0.751 -3.306 1.00 . B A . 6 LEU CD2 1 1 6 4664 2 2 6 LEU CG C -4.925 -0.415 -3.403 1.00 . B A . 6 LEU CG 1 1 6 4665 2 2 6 LEU H H -8.821 0.601 -3.613 1.00 . B A . 6 LEU H 1 1 6 4666 2 2 6 LEU HA H -7.332 -1.727 -4.119 1.00 . B A . 6 LEU HA 1 1 6 4667 2 2 6 LEU HB2 H -6.504 0.586 -4.420 1.00 . B A . 6 LEU HB2 1 1 6 4668 2 2 6 LEU HB3 H -6.515 0.804 -2.684 1.00 . B A . 6 LEU HB3 1 1 6 4669 2 2 6 LEU HD11 H -3.568 -1.633 -4.519 1.00 . B A . 6 LEU HD11 1 1 6 4670 2 2 6 LEU HD12 H -4.725 -0.744 -5.508 1.00 . B A . 6 LEU HD12 1 1 6 4671 2 2 6 LEU HD13 H -5.247 -2.163 -4.598 1.00 . B A . 6 LEU HD13 1 1 6 4672 2 2 6 LEU HD21 H -4.143 1.306 -2.398 1.00 . B A . 6 LEU HD21 1 1 6 4673 2 2 6 LEU HD22 H -4.101 1.398 -4.159 1.00 . B A . 6 LEU HD22 1 1 6 4674 2 2 6 LEU HD23 H -2.944 0.383 -3.303 1.00 . B A . 6 LEU HD23 1 1 6 4675 2 2 6 LEU HG H -4.816 -1.019 -2.513 1.00 . B A . 6 LEU HG 1 1 6 4676 2 2 6 LEU N N -8.774 -0.374 -3.494 1.00 . B A . 6 LEU N 1 1 6 4677 2 2 6 LEU O O -6.809 -2.756 -1.873 1.00 . B A . 6 LEU O 1 1 6 4678 2 2 7 ALA C C -8.533 -2.967 0.450 1.00 . B A . 7 ALA C 1 1 6 4679 2 2 7 ALA CA C -7.970 -1.549 0.387 1.00 . B A . 7 ALA CA 1 1 6 4680 2 2 7 ALA CB C -8.746 -0.616 1.306 1.00 . B A . 7 ALA CB 1 1 6 4681 2 2 7 ALA H H -8.365 -0.164 -1.162 1.00 . B A . 7 ALA H 1 1 6 4682 2 2 7 ALA HA H -6.944 -1.579 0.725 1.00 . B A . 7 ALA HA 1 1 6 4683 2 2 7 ALA HB1 H -9.777 -0.584 0.987 1.00 . B A . 7 ALA HB1 1 1 6 4684 2 2 7 ALA HB2 H -8.322 0.376 1.258 1.00 . B A . 7 ALA HB2 1 1 6 4685 2 2 7 ALA HB3 H -8.697 -0.982 2.322 1.00 . B A . 7 ALA HB3 1 1 6 4686 2 2 7 ALA N N -7.950 -1.036 -0.975 1.00 . B A . 7 ALA N 1 1 6 4687 2 2 7 ALA O O -7.949 -3.832 1.105 1.00 . B A . 7 ALA O 1 1 6 4688 2 2 8 ASN C C -9.238 -5.506 -0.934 1.00 . B A . 8 ASN C 1 1 6 4689 2 2 8 ASN CA C -10.226 -4.571 -0.298 1.00 . B A . 8 ASN CA 1 1 6 4690 2 2 8 ASN CB C -11.551 -4.664 -1.098 1.00 . B A . 8 ASN CB 1 1 6 4691 2 2 8 ASN CG C -12.722 -3.920 -0.498 1.00 . B A . 8 ASN CG 1 1 6 4692 2 2 8 ASN H H -10.060 -2.478 -0.757 1.00 . B A . 8 ASN H 1 1 6 4693 2 2 8 ASN HA H -10.396 -4.887 0.721 1.00 . B A . 8 ASN HA 1 1 6 4694 2 2 8 ASN HB2 H -11.380 -4.256 -2.083 1.00 . B A . 8 ASN HB2 1 1 6 4695 2 2 8 ASN HB3 H -11.818 -5.706 -1.199 1.00 . B A . 8 ASN HB3 1 1 6 4696 2 2 8 ASN HD21 H -12.397 -2.382 -1.686 1.00 . B A . 8 ASN HD21 1 1 6 4697 2 2 8 ASN HD22 H -13.721 -2.232 -0.594 1.00 . B A . 8 ASN HD22 1 1 6 4698 2 2 8 ASN N N -9.647 -3.215 -0.258 1.00 . B A . 8 ASN N 1 1 6 4699 2 2 8 ASN ND2 N -12.968 -2.735 -0.971 1.00 . B A . 8 ASN ND2 1 1 6 4700 2 2 8 ASN O O -8.908 -6.546 -0.385 1.00 . B A . 8 ASN O 1 1 6 4701 2 2 8 ASN OD1 O -13.442 -4.437 0.352 1.00 . B A . 8 ASN OD1 1 1 6 4702 2 2 9 LYS C C -6.540 -6.277 -2.067 1.00 . B A . 9 LYS C 1 1 6 4703 2 2 9 LYS CA C -7.794 -5.881 -2.848 1.00 . B A . 9 LYS CA 1 1 6 4704 2 2 9 LYS CB C -7.446 -5.154 -4.152 1.00 . B A . 9 LYS CB 1 1 6 4705 2 2 9 LYS CD C -8.326 -4.047 -6.266 1.00 . B A . 9 LYS CD 1 1 6 4706 2 2 9 LYS CE C -7.456 -4.829 -7.237 1.00 . B A . 9 LYS CE 1 1 6 4707 2 2 9 LYS CG C -8.668 -4.848 -5.013 1.00 . B A . 9 LYS CG 1 1 6 4708 2 2 9 LYS H H -8.948 -4.178 -2.364 1.00 . B A . 9 LYS H 1 1 6 4709 2 2 9 LYS HA H -8.304 -6.801 -3.085 1.00 . B A . 9 LYS HA 1 1 6 4710 2 2 9 LYS HB2 H -6.970 -4.218 -3.899 1.00 . B A . 9 LYS HB2 1 1 6 4711 2 2 9 LYS HB3 H -6.755 -5.747 -4.731 1.00 . B A . 9 LYS HB3 1 1 6 4712 2 2 9 LYS HD2 H -9.242 -3.773 -6.767 1.00 . B A . 9 LYS HD2 1 1 6 4713 2 2 9 LYS HD3 H -7.804 -3.149 -5.970 1.00 . B A . 9 LYS HD3 1 1 6 4714 2 2 9 LYS HE2 H -6.508 -5.038 -6.763 1.00 . B A . 9 LYS HE2 1 1 6 4715 2 2 9 LYS HE3 H -7.946 -5.758 -7.483 1.00 . B A . 9 LYS HE3 1 1 6 4716 2 2 9 LYS HG2 H -9.124 -5.781 -5.315 1.00 . B A . 9 LYS HG2 1 1 6 4717 2 2 9 LYS HG3 H -9.372 -4.286 -4.417 1.00 . B A . 9 LYS HG3 1 1 6 4718 2 2 9 LYS HZ1 H -6.636 -4.637 -9.138 1.00 . B A . 9 LYS HZ1 1 1 6 4719 2 2 9 LYS HZ2 H -6.688 -3.188 -8.287 1.00 . B A . 9 LYS HZ2 1 1 6 4720 2 2 9 LYS HZ3 H -8.093 -3.821 -8.959 1.00 . B A . 9 LYS HZ3 1 1 6 4721 2 2 9 LYS N N -8.710 -5.081 -2.056 1.00 . B A . 9 LYS N 1 1 6 4722 2 2 9 LYS NZ N -7.205 -4.068 -8.477 1.00 . B A . 9 LYS NZ 1 1 6 4723 2 2 9 LYS O O -6.179 -7.439 -2.042 1.00 . B A . 9 LYS O 1 1 6 4724 2 2 10 CYS C C -5.019 -6.480 0.595 1.00 . B A . 10 CYS C 1 1 6 4725 2 2 10 CYS CA C -4.701 -5.624 -0.629 1.00 . B A . 10 CYS CA 1 1 6 4726 2 2 10 CYS CB C -4.050 -4.324 -0.179 1.00 . B A . 10 CYS CB 1 1 6 4727 2 2 10 CYS H H -6.257 -4.415 -1.432 1.00 . B A . 10 CYS H 1 1 6 4728 2 2 10 CYS HA H -4.004 -6.182 -1.243 1.00 . B A . 10 CYS HA 1 1 6 4729 2 2 10 CYS HB2 H -4.690 -3.848 0.550 1.00 . B A . 10 CYS HB2 1 1 6 4730 2 2 10 CYS HB3 H -3.098 -4.547 0.279 1.00 . B A . 10 CYS HB3 1 1 6 4731 2 2 10 CYS N N -5.917 -5.339 -1.402 1.00 . B A . 10 CYS N 1 1 6 4732 2 2 10 CYS O O -4.182 -7.254 1.055 1.00 . B A . 10 CYS O 1 1 6 4733 2 2 10 CYS SG S -3.761 -3.129 -1.512 1.00 . B A . 10 CYS SG 1 1 6 4734 2 2 11 CYS C C -6.987 -8.523 1.896 1.00 . B A . 11 CYS C 1 1 6 4735 2 2 11 CYS CA C -6.632 -7.092 2.262 1.00 . B A . 11 CYS CA 1 1 6 4736 2 2 11 CYS CB C -7.825 -6.402 2.922 1.00 . B A . 11 CYS CB 1 1 6 4737 2 2 11 CYS H H -6.863 -5.742 0.674 1.00 . B A . 11 CYS H 1 1 6 4738 2 2 11 CYS HA H -5.809 -7.099 2.961 1.00 . B A . 11 CYS HA 1 1 6 4739 2 2 11 CYS HB2 H -7.581 -5.367 3.100 1.00 . B A . 11 CYS HB2 1 1 6 4740 2 2 11 CYS HB3 H -8.656 -6.439 2.232 1.00 . B A . 11 CYS HB3 1 1 6 4741 2 2 11 CYS N N -6.222 -6.357 1.093 1.00 . B A . 11 CYS N 1 1 6 4742 2 2 11 CYS O O -6.698 -9.464 2.640 1.00 . B A . 11 CYS O 1 1 6 4743 2 2 11 CYS SG S -8.373 -7.151 4.491 1.00 . B A . 11 CYS SG 1 1 6 4744 2 2 12 HIS C C -6.955 -10.780 -0.380 1.00 . B A . 12 HIS C 1 1 6 4745 2 2 12 HIS CA C -8.032 -10.003 0.330 1.00 . B A . 12 HIS CA 1 1 6 4746 2 2 12 HIS CB C -9.277 -9.910 -0.528 1.00 . B A . 12 HIS CB 1 1 6 4747 2 2 12 HIS CD2 C -10.960 -8.444 0.785 1.00 . B A . 12 HIS CD2 1 1 6 4748 2 2 12 HIS CE1 C -12.463 -9.934 1.241 1.00 . B A . 12 HIS CE1 1 1 6 4749 2 2 12 HIS CG C -10.530 -9.607 0.247 1.00 . B A . 12 HIS CG 1 1 6 4750 2 2 12 HIS H H -7.770 -7.918 0.167 1.00 . B A . 12 HIS H 1 1 6 4751 2 2 12 HIS HA H -8.293 -10.546 1.227 1.00 . B A . 12 HIS HA 1 1 6 4752 2 2 12 HIS HB2 H -9.122 -9.106 -1.233 1.00 . B A . 12 HIS HB2 1 1 6 4753 2 2 12 HIS HB3 H -9.388 -10.833 -1.070 1.00 . B A . 12 HIS HB3 1 1 6 4754 2 2 12 HIS HD1 H -11.479 -11.495 0.304 1.00 . B A . 12 HIS HD1 1 1 6 4755 2 2 12 HIS HD2 H -10.432 -7.502 0.737 1.00 . B A . 12 HIS HD2 1 1 6 4756 2 2 12 HIS HE1 H -13.352 -10.422 1.610 1.00 . B A . 12 HIS HE1 1 1 6 4757 2 2 12 HIS N N -7.596 -8.696 0.749 1.00 . B A . 12 HIS N 1 1 6 4758 2 2 12 HIS ND1 N -11.498 -10.542 0.549 1.00 . B A . 12 HIS ND1 1 1 6 4759 2 2 12 HIS NE2 N -12.181 -8.648 1.417 1.00 . B A . 12 HIS NE2 1 1 6 4760 2 2 12 HIS O O -6.694 -11.936 -0.050 1.00 . B A . 12 HIS O 1 1 6 4761 2 2 13 VAL C C -3.940 -10.240 -1.893 1.00 . B A . 13 VAL C 1 1 6 4762 2 2 13 VAL CA C -5.319 -10.845 -2.114 1.00 . B A . 13 VAL CA 1 1 6 4763 2 2 13 VAL CB C -5.666 -10.926 -3.627 1.00 . B A . 13 VAL CB 1 1 6 4764 2 2 13 VAL CG1 C -6.865 -11.828 -3.846 1.00 . B A . 13 VAL CG1 1 1 6 4765 2 2 13 VAL CG2 C -5.938 -9.558 -4.247 1.00 . B A . 13 VAL CG2 1 1 6 4766 2 2 13 VAL H H -6.589 -9.242 -1.545 1.00 . B A . 13 VAL H 1 1 6 4767 2 2 13 VAL HA H -5.282 -11.854 -1.729 1.00 . B A . 13 VAL HA 1 1 6 4768 2 2 13 VAL HB H -4.786 -11.338 -4.089 1.00 . B A . 13 VAL HB 1 1 6 4769 2 2 13 VAL HG11 H -7.700 -11.444 -3.276 1.00 . B A . 13 VAL HG11 1 1 6 4770 2 2 13 VAL HG12 H -6.636 -12.832 -3.520 1.00 . B A . 13 VAL HG12 1 1 6 4771 2 2 13 VAL HG13 H -7.124 -11.833 -4.893 1.00 . B A . 13 VAL HG13 1 1 6 4772 2 2 13 VAL HG21 H -6.747 -9.077 -3.715 1.00 . B A . 13 VAL HG21 1 1 6 4773 2 2 13 VAL HG22 H -6.204 -9.674 -5.287 1.00 . B A . 13 VAL HG22 1 1 6 4774 2 2 13 VAL HG23 H -5.050 -8.949 -4.170 1.00 . B A . 13 VAL HG23 1 1 6 4775 2 2 13 VAL N N -6.345 -10.173 -1.347 1.00 . B A . 13 VAL N 1 1 6 4776 2 2 13 VAL O O -2.953 -10.952 -1.704 1.00 . B A . 13 VAL O 1 1 6 4777 2 2 14 GLY C C -2.327 -7.370 -2.885 1.00 . B A . 14 GLY C 1 1 6 4778 2 2 14 GLY CA C -2.658 -8.237 -1.715 1.00 . B A . 14 GLY CA 1 1 6 4779 2 2 14 GLY H H -4.707 -8.487 -2.183 1.00 . B A . 14 GLY H 1 1 6 4780 2 2 14 GLY HA2 H -2.747 -7.623 -0.833 1.00 . B A . 14 GLY HA2 1 1 6 4781 2 2 14 GLY HA3 H -1.841 -8.906 -1.529 1.00 . B A . 14 GLY HA3 1 1 6 4782 2 2 14 GLY N N -3.881 -8.956 -1.938 1.00 . B A . 14 GLY N 1 1 6 4783 2 2 14 GLY O O -2.894 -7.542 -3.978 1.00 . B A . 14 GLY O 1 1 6 4784 2 2 15 CYS C C 0.348 -5.105 -3.520 1.00 . B A . 15 CYS C 1 1 6 4785 2 2 15 CYS CA C -1.067 -5.515 -3.715 1.00 . B A . 15 CYS CA 1 1 6 4786 2 2 15 CYS CB C -1.942 -4.281 -3.631 1.00 . B A . 15 CYS CB 1 1 6 4787 2 2 15 CYS H H -0.972 -6.398 -1.825 1.00 . B A . 15 CYS H 1 1 6 4788 2 2 15 CYS HA H -1.196 -5.971 -4.686 1.00 . B A . 15 CYS HA 1 1 6 4789 2 2 15 CYS HB2 H -1.621 -3.586 -4.393 1.00 . B A . 15 CYS HB2 1 1 6 4790 2 2 15 CYS HB3 H -2.965 -4.558 -3.816 1.00 . B A . 15 CYS HB3 1 1 6 4791 2 2 15 CYS N N -1.434 -6.461 -2.692 1.00 . B A . 15 CYS N 1 1 6 4792 2 2 15 CYS O O 0.932 -5.354 -2.450 1.00 . B A . 15 CYS O 1 1 6 4793 2 2 15 CYS SG S -1.841 -3.429 -2.026 1.00 . B A . 15 CYS SG 1 1 6 4794 2 2 16 THR C C 2.222 -2.728 -3.653 1.00 . B A . 16 THR C 1 1 6 4795 2 2 16 THR CA C 2.227 -4.027 -4.408 1.00 . B A . 16 THR CA 1 1 6 4796 2 2 16 THR CB C 2.918 -3.840 -5.772 1.00 . B A . 16 THR CB 1 1 6 4797 2 2 16 THR CG2 C 3.189 -5.169 -6.437 1.00 . B A . 16 THR CG2 1 1 6 4798 2 2 16 THR H H 0.442 -4.351 -5.358 1.00 . B A . 16 THR H 1 1 6 4799 2 2 16 THR HA H 2.786 -4.746 -3.837 1.00 . B A . 16 THR HA 1 1 6 4800 2 2 16 THR HB H 3.855 -3.328 -5.610 1.00 . B A . 16 THR HB 1 1 6 4801 2 2 16 THR HG1 H 2.119 -3.397 -7.508 1.00 . B A . 16 THR HG1 1 1 6 4802 2 2 16 THR HG21 H 2.255 -5.683 -6.596 1.00 . B A . 16 THR HG21 1 1 6 4803 2 2 16 THR HG22 H 3.825 -5.767 -5.801 1.00 . B A . 16 THR HG22 1 1 6 4804 2 2 16 THR HG23 H 3.679 -5.007 -7.385 1.00 . B A . 16 THR HG23 1 1 6 4805 2 2 16 THR N N 0.920 -4.509 -4.519 1.00 . B A . 16 THR N 1 1 6 4806 2 2 16 THR O O 1.248 -1.978 -3.682 1.00 . B A . 16 THR O 1 1 6 4807 2 2 16 THR OG1 O 2.103 -3.037 -6.613 1.00 . B A . 16 THR OG1 1 1 6 4808 2 2 17 LYS C C 3.534 -0.096 -3.278 1.00 . B A . 17 LYS C 1 1 6 4809 2 2 17 LYS CA C 3.472 -1.226 -2.254 1.00 . B A . 17 LYS CA 1 1 6 4810 2 2 17 LYS CB C 4.757 -1.321 -1.447 1.00 . B A . 17 LYS CB 1 1 6 4811 2 2 17 LYS CD C 3.857 -0.744 0.821 1.00 . B A . 17 LYS CD 1 1 6 4812 2 2 17 LYS CE C 4.102 0.058 2.088 1.00 . B A . 17 LYS CE 1 1 6 4813 2 2 17 LYS CG C 4.887 -0.419 -0.250 1.00 . B A . 17 LYS CG 1 1 6 4814 2 2 17 LYS H H 3.990 -3.161 -3.026 1.00 . B A . 17 LYS H 1 1 6 4815 2 2 17 LYS HA H 2.622 -1.044 -1.610 1.00 . B A . 17 LYS HA 1 1 6 4816 2 2 17 LYS HB2 H 4.841 -2.332 -1.080 1.00 . B A . 17 LYS HB2 1 1 6 4817 2 2 17 LYS HB3 H 5.604 -1.123 -2.088 1.00 . B A . 17 LYS HB3 1 1 6 4818 2 2 17 LYS HD2 H 2.872 -0.507 0.449 1.00 . B A . 17 LYS HD2 1 1 6 4819 2 2 17 LYS HD3 H 3.913 -1.797 1.056 1.00 . B A . 17 LYS HD3 1 1 6 4820 2 2 17 LYS HE2 H 4.058 1.112 1.861 1.00 . B A . 17 LYS HE2 1 1 6 4821 2 2 17 LYS HE3 H 3.335 -0.185 2.806 1.00 . B A . 17 LYS HE3 1 1 6 4822 2 2 17 LYS HG2 H 5.870 -0.624 0.151 1.00 . B A . 17 LYS HG2 1 1 6 4823 2 2 17 LYS HG3 H 4.799 0.611 -0.558 1.00 . B A . 17 LYS HG3 1 1 6 4824 2 2 17 LYS HZ1 H 6.189 -0.050 2.022 1.00 . B A . 17 LYS HZ1 1 1 6 4825 2 2 17 LYS HZ2 H 5.496 -1.238 2.962 1.00 . B A . 17 LYS HZ2 1 1 6 4826 2 2 17 LYS HZ3 H 5.601 0.335 3.529 1.00 . B A . 17 LYS HZ3 1 1 6 4827 2 2 17 LYS N N 3.297 -2.463 -2.997 1.00 . B A . 17 LYS N 1 1 6 4828 2 2 17 LYS NZ N 5.410 -0.239 2.685 1.00 . B A . 17 LYS NZ 1 1 6 4829 2 2 17 LYS O O 3.163 1.028 -3.000 1.00 . B A . 17 LYS O 1 1 6 4830 2 2 18 ARG C C 2.517 0.793 -6.019 1.00 . B A . 18 ARG C 1 1 6 4831 2 2 18 ARG CA C 3.955 0.430 -5.652 1.00 . B A . 18 ARG CA 1 1 6 4832 2 2 18 ARG CB C 4.591 -0.270 -6.855 1.00 . B A . 18 ARG CB 1 1 6 4833 2 2 18 ARG CD C 6.967 0.344 -6.300 1.00 . B A . 18 ARG CD 1 1 6 4834 2 2 18 ARG CG C 5.999 -0.774 -6.628 1.00 . B A . 18 ARG CG 1 1 6 4835 2 2 18 ARG CZ C 8.005 1.366 -8.314 1.00 . B A . 18 ARG CZ 1 1 6 4836 2 2 18 ARG H H 4.266 -1.383 -4.609 1.00 . B A . 18 ARG H 1 1 6 4837 2 2 18 ARG HA H 4.518 1.318 -5.413 1.00 . B A . 18 ARG HA 1 1 6 4838 2 2 18 ARG HB2 H 3.976 -1.115 -7.124 1.00 . B A . 18 ARG HB2 1 1 6 4839 2 2 18 ARG HB3 H 4.608 0.419 -7.686 1.00 . B A . 18 ARG HB3 1 1 6 4840 2 2 18 ARG HD2 H 6.643 0.832 -5.393 1.00 . B A . 18 ARG HD2 1 1 6 4841 2 2 18 ARG HD3 H 7.947 -0.083 -6.139 1.00 . B A . 18 ARG HD3 1 1 6 4842 2 2 18 ARG HE H 6.379 2.053 -7.323 1.00 . B A . 18 ARG HE 1 1 6 4843 2 2 18 ARG HG2 H 5.993 -1.477 -5.809 1.00 . B A . 18 ARG HG2 1 1 6 4844 2 2 18 ARG HG3 H 6.335 -1.275 -7.523 1.00 . B A . 18 ARG HG3 1 1 6 4845 2 2 18 ARG HH11 H 8.839 -0.455 -7.859 1.00 . B A . 18 ARG HH11 1 1 6 4846 2 2 18 ARG HH12 H 9.573 0.364 -9.157 1.00 . B A . 18 ARG HH12 1 1 6 4847 2 2 18 ARG HH21 H 7.421 3.140 -9.112 1.00 . B A . 18 ARG HH21 1 1 6 4848 2 2 18 ARG HH22 H 8.761 2.398 -9.873 1.00 . B A . 18 ARG HH22 1 1 6 4849 2 2 18 ARG N N 3.946 -0.463 -4.498 1.00 . B A . 18 ARG N 1 1 6 4850 2 2 18 ARG NE N 7.057 1.341 -7.368 1.00 . B A . 18 ARG NE 1 1 6 4851 2 2 18 ARG NH1 N 8.862 0.362 -8.448 1.00 . B A . 18 ARG NH1 1 1 6 4852 2 2 18 ARG NH2 N 8.062 2.373 -9.153 1.00 . B A . 18 ARG NH2 1 1 6 4853 2 2 18 ARG O O 2.233 1.892 -6.496 1.00 . B A . 18 ARG O 1 1 6 4854 2 2 19 SER C C -0.386 1.036 -5.103 1.00 . B A . 19 SER C 1 1 6 4855 2 2 19 SER CA C 0.237 0.037 -6.061 1.00 . B A . 19 SER CA 1 1 6 4856 2 2 19 SER CB C -0.486 -1.319 -6.045 1.00 . B A . 19 SER CB 1 1 6 4857 2 2 19 SER H H 1.898 -0.950 -5.304 1.00 . B A . 19 SER H 1 1 6 4858 2 2 19 SER HA H 0.183 0.451 -7.056 1.00 . B A . 19 SER HA 1 1 6 4859 2 2 19 SER HB2 H 0.049 -1.968 -6.720 1.00 . B A . 19 SER HB2 1 1 6 4860 2 2 19 SER HB3 H -0.433 -1.759 -5.058 1.00 . B A . 19 SER HB3 1 1 6 4861 2 2 19 SER HG H -2.321 -1.968 -6.111 1.00 . B A . 19 SER HG 1 1 6 4862 2 2 19 SER N N 1.619 -0.124 -5.750 1.00 . B A . 19 SER N 1 1 6 4863 2 2 19 SER O O -1.199 1.843 -5.506 1.00 . B A . 19 SER O 1 1 6 4864 2 2 19 SER OG O -1.840 -1.212 -6.475 1.00 . B A . 19 SER OG 1 1 6 4865 2 2 20 LEU C C 0.260 3.339 -3.228 1.00 . B A . 20 LEU C 1 1 6 4866 2 2 20 LEU CA C -0.477 2.059 -2.935 1.00 . B A . 20 LEU CA 1 1 6 4867 2 2 20 LEU CB C -0.445 1.707 -1.397 1.00 . B A . 20 LEU CB 1 1 6 4868 2 2 20 LEU CD1 C 0.195 -0.717 -1.158 1.00 . B A . 20 LEU CD1 1 1 6 4869 2 2 20 LEU CD2 C -1.364 0.253 0.459 1.00 . B A . 20 LEU CD2 1 1 6 4870 2 2 20 LEU CG C -0.899 0.287 -0.972 1.00 . B A . 20 LEU CG 1 1 6 4871 2 2 20 LEU H H 0.600 0.275 -3.562 1.00 . B A . 20 LEU H 1 1 6 4872 2 2 20 LEU HA H -1.475 2.341 -3.230 1.00 . B A . 20 LEU HA 1 1 6 4873 2 2 20 LEU HB2 H 0.473 1.973 -0.894 1.00 . B A . 20 LEU HB2 1 1 6 4874 2 2 20 LEU HB3 H -1.179 2.376 -0.974 1.00 . B A . 20 LEU HB3 1 1 6 4875 2 2 20 LEU HD11 H 1.034 -0.428 -0.543 1.00 . B A . 20 LEU HD11 1 1 6 4876 2 2 20 LEU HD12 H 0.491 -0.754 -2.195 1.00 . B A . 20 LEU HD12 1 1 6 4877 2 2 20 LEU HD13 H -0.153 -1.690 -0.849 1.00 . B A . 20 LEU HD13 1 1 6 4878 2 2 20 LEU HD21 H -2.211 0.910 0.585 1.00 . B A . 20 LEU HD21 1 1 6 4879 2 2 20 LEU HD22 H -0.553 0.573 1.096 1.00 . B A . 20 LEU HD22 1 1 6 4880 2 2 20 LEU HD23 H -1.643 -0.759 0.712 1.00 . B A . 20 LEU HD23 1 1 6 4881 2 2 20 LEU HG H -1.723 -0.013 -1.600 1.00 . B A . 20 LEU HG 1 1 6 4882 2 2 20 LEU N N 0.016 1.014 -3.844 1.00 . B A . 20 LEU N 1 1 6 4883 2 2 20 LEU O O -0.321 4.402 -3.183 1.00 . B A . 20 LEU O 1 1 6 4884 2 2 21 ALA C C 1.831 5.217 -5.116 1.00 . B A . 21 ALA C 1 1 6 4885 2 2 21 ALA CA C 2.384 4.351 -3.977 1.00 . B A . 21 ALA CA 1 1 6 4886 2 2 21 ALA CB C 3.789 3.888 -4.328 1.00 . B A . 21 ALA CB 1 1 6 4887 2 2 21 ALA H H 1.847 2.281 -3.707 1.00 . B A . 21 ALA H 1 1 6 4888 2 2 21 ALA HA H 2.448 4.956 -3.085 1.00 . B A . 21 ALA HA 1 1 6 4889 2 2 21 ALA HB1 H 3.756 3.328 -5.250 1.00 . B A . 21 ALA HB1 1 1 6 4890 2 2 21 ALA HB2 H 4.173 3.259 -3.539 1.00 . B A . 21 ALA HB2 1 1 6 4891 2 2 21 ALA HB3 H 4.434 4.747 -4.452 1.00 . B A . 21 ALA HB3 1 1 6 4892 2 2 21 ALA N N 1.509 3.204 -3.646 1.00 . B A . 21 ALA N 1 1 6 4893 2 2 21 ALA O O 2.015 6.432 -5.124 1.00 . B A . 21 ALA O 1 1 6 4894 2 2 22 ARG C C -0.676 6.090 -6.801 1.00 . B A . 22 ARG C 1 1 6 4895 2 2 22 ARG CA C 0.593 5.334 -7.208 1.00 . B A . 22 ARG CA 1 1 6 4896 2 2 22 ARG CB C 0.314 4.407 -8.400 1.00 . B A . 22 ARG CB 1 1 6 4897 2 2 22 ARG CD C -0.857 2.346 -9.230 1.00 . B A . 22 ARG CD 1 1 6 4898 2 2 22 ARG CG C -0.591 3.253 -8.059 1.00 . B A . 22 ARG CG 1 1 6 4899 2 2 22 ARG CZ C -2.184 0.271 -9.610 1.00 . B A . 22 ARG CZ 1 1 6 4900 2 2 22 ARG H H 1.104 3.618 -6.035 1.00 . B A . 22 ARG H 1 1 6 4901 2 2 22 ARG HA H 1.325 6.070 -7.506 1.00 . B A . 22 ARG HA 1 1 6 4902 2 2 22 ARG HB2 H -0.150 4.981 -9.188 1.00 . B A . 22 ARG HB2 1 1 6 4903 2 2 22 ARG HB3 H 1.252 4.010 -8.760 1.00 . B A . 22 ARG HB3 1 1 6 4904 2 2 22 ARG HD2 H -1.463 2.876 -9.947 1.00 . B A . 22 ARG HD2 1 1 6 4905 2 2 22 ARG HD3 H 0.081 2.063 -9.682 1.00 . B A . 22 ARG HD3 1 1 6 4906 2 2 22 ARG HE H -1.508 0.947 -7.836 1.00 . B A . 22 ARG HE 1 1 6 4907 2 2 22 ARG HG2 H -0.131 2.673 -7.273 1.00 . B A . 22 ARG HG2 1 1 6 4908 2 2 22 ARG HG3 H -1.530 3.648 -7.699 1.00 . B A . 22 ARG HG3 1 1 6 4909 2 2 22 ARG HH11 H -2.059 1.439 -11.279 1.00 . B A . 22 ARG HH11 1 1 6 4910 2 2 22 ARG HH12 H -2.823 -0.053 -11.535 1.00 . B A . 22 ARG HH12 1 1 6 4911 2 2 22 ARG HH21 H -2.523 -1.099 -8.145 1.00 . B A . 22 ARG HH21 1 1 6 4912 2 2 22 ARG HH22 H -3.111 -1.553 -9.694 1.00 . B A . 22 ARG HH22 1 1 6 4913 2 2 22 ARG N N 1.173 4.597 -6.076 1.00 . B A . 22 ARG N 1 1 6 4914 2 2 22 ARG NE N -1.565 1.133 -8.800 1.00 . B A . 22 ARG NE 1 1 6 4915 2 2 22 ARG NH1 N -2.370 0.568 -10.889 1.00 . B A . 22 ARG NH1 1 1 6 4916 2 2 22 ARG NH2 N -2.643 -0.875 -9.121 1.00 . B A . 22 ARG NH2 1 1 6 4917 2 2 22 ARG O O -1.073 7.046 -7.457 1.00 . B A . 22 ARG O 1 1 6 4918 2 2 23 PHE C C -2.151 7.331 -4.164 1.00 . B A . 23 PHE C 1 1 6 4919 2 2 23 PHE CA C -2.500 6.343 -5.248 1.00 . B A . 23 PHE CA 1 1 6 4920 2 2 23 PHE CB C -3.566 5.354 -4.769 1.00 . B A . 23 PHE CB 1 1 6 4921 2 2 23 PHE CD1 C -5.127 5.069 -6.713 1.00 . B A . 23 PHE CD1 1 1 6 4922 2 2 23 PHE CD2 C -3.859 3.193 -6.007 1.00 . B A . 23 PHE CD2 1 1 6 4923 2 2 23 PHE CE1 C -5.722 4.305 -7.696 1.00 . B A . 23 PHE CE1 1 1 6 4924 2 2 23 PHE CE2 C -4.444 2.420 -6.990 1.00 . B A . 23 PHE CE2 1 1 6 4925 2 2 23 PHE CG C -4.188 4.521 -5.858 1.00 . B A . 23 PHE CG 1 1 6 4926 2 2 23 PHE CZ C -5.379 2.977 -7.835 1.00 . B A . 23 PHE CZ 1 1 6 4927 2 2 23 PHE H H -0.914 4.920 -5.220 1.00 . B A . 23 PHE H 1 1 6 4928 2 2 23 PHE HA H -2.888 6.907 -6.079 1.00 . B A . 23 PHE HA 1 1 6 4929 2 2 23 PHE HB2 H -3.119 4.678 -4.055 1.00 . B A . 23 PHE HB2 1 1 6 4930 2 2 23 PHE HB3 H -4.354 5.907 -4.279 1.00 . B A . 23 PHE HB3 1 1 6 4931 2 2 23 PHE HD1 H -5.391 6.111 -6.609 1.00 . B A . 23 PHE HD1 1 1 6 4932 2 2 23 PHE HD2 H -3.125 2.757 -5.347 1.00 . B A . 23 PHE HD2 1 1 6 4933 2 2 23 PHE HE1 H -6.454 4.748 -8.352 1.00 . B A . 23 PHE HE1 1 1 6 4934 2 2 23 PHE HE2 H -4.171 1.381 -7.090 1.00 . B A . 23 PHE HE2 1 1 6 4935 2 2 23 PHE HZ H -5.842 2.375 -8.604 1.00 . B A . 23 PHE HZ 1 1 6 4936 2 2 23 PHE N N -1.299 5.672 -5.718 1.00 . B A . 23 PHE N 1 1 6 4937 2 2 23 PHE O O -2.622 8.468 -4.156 1.00 . B A . 23 PHE O 1 1 6 4938 2 2 24 CYS C C 0.246 6.833 -1.502 1.00 . B A . 24 CYS C 1 1 6 4939 2 2 24 CYS CA C -0.799 7.674 -2.172 1.00 . B A . 24 CYS CA 1 1 6 4940 2 2 24 CYS CB C -1.886 8.097 -1.153 1.00 . B A . 24 CYS CB 1 1 6 4941 2 2 24 CYS H H -1.126 5.910 -3.300 1.00 . B A . 24 CYS H 1 1 6 4942 2 2 24 CYS HA H -0.331 8.548 -2.602 1.00 . B A . 24 CYS HA 1 1 6 4943 2 2 24 CYS HB2 H -2.693 8.569 -1.692 1.00 . B A . 24 CYS HB2 1 1 6 4944 2 2 24 CYS HB3 H -2.271 7.203 -0.683 1.00 . B A . 24 CYS HB3 1 1 6 4945 2 2 24 CYS N N -1.356 6.871 -3.254 1.00 . B A . 24 CYS N 1 1 6 4946 2 2 24 CYS O O -0.052 6.075 -0.583 1.00 . B A . 24 CYS O 1 1 6 4947 2 2 24 CYS SG S -1.392 9.280 0.201 1.00 . B A . 24 CYS SG 1 1 6 4948 2 2 25 NH2 HN1 H 1.609 7.545 -2.733 1.00 . B A . 25 NH2 HN1 1 1 6 4949 2 2 25 NH2 HN2 H 2.161 6.342 -1.625 1.00 . B A . 25 NH2 HN2 1 1 6 4950 2 2 25 NH2 N N 1.460 6.912 -1.999 1.00 . B A . 25 NH2 N 1 1 7 4951 1 1 1 ASP C C 12.414 1.219 -5.013 1.00 . A B . 1 ASP C 1 1 7 4952 1 1 1 ASP CA C 12.282 2.714 -5.221 1.00 . A B . 1 ASP CA 1 1 7 4953 1 1 1 ASP CB C 12.358 2.990 -6.713 1.00 . A B . 1 ASP CB 1 1 7 4954 1 1 1 ASP CG C 11.938 4.373 -7.094 1.00 . A B . 1 ASP CG 1 1 7 4955 1 1 1 ASP H1 H 13.302 3.293 -3.473 1.00 . A B . 1 ASP H1 1 1 7 4956 1 1 1 ASP H2 H 13.137 4.495 -4.639 1.00 . A B . 1 ASP H2 1 1 7 4957 1 1 1 ASP H3 H 14.259 3.263 -4.878 1.00 . A B . 1 ASP H3 1 1 7 4958 1 1 1 ASP HA H 11.305 3.015 -4.867 1.00 . A B . 1 ASP HA 1 1 7 4959 1 1 1 ASP HB2 H 13.381 2.853 -7.030 1.00 . A B . 1 ASP HB2 1 1 7 4960 1 1 1 ASP HB3 H 11.734 2.269 -7.215 1.00 . A B . 1 ASP HB3 1 1 7 4961 1 1 1 ASP N N 13.317 3.479 -4.496 1.00 . A B . 1 ASP N 1 1 7 4962 1 1 1 ASP O O 11.516 0.477 -5.375 1.00 . A B . 1 ASP O 1 1 7 4963 1 1 1 ASP OD1 O 12.643 5.336 -6.755 1.00 . A B . 1 ASP OD1 1 1 7 4964 1 1 1 ASP OD2 O 10.888 4.538 -7.721 1.00 . A B . 1 ASP OD2 1 1 7 4965 1 1 2 SER C C 12.662 -1.377 -3.425 1.00 . A B . 2 SER C 1 1 7 4966 1 1 2 SER CA C 13.768 -0.679 -4.209 1.00 . A B . 2 SER CA 1 1 7 4967 1 1 2 SER CB C 15.099 -0.848 -3.507 1.00 . A B . 2 SER CB 1 1 7 4968 1 1 2 SER H H 14.193 1.367 -4.041 1.00 . A B . 2 SER H 1 1 7 4969 1 1 2 SER HA H 13.813 -1.131 -5.175 1.00 . A B . 2 SER HA 1 1 7 4970 1 1 2 SER HB2 H 14.979 -0.629 -2.456 1.00 . A B . 2 SER HB2 1 1 7 4971 1 1 2 SER HB3 H 15.452 -1.862 -3.629 1.00 . A B . 2 SER HB3 1 1 7 4972 1 1 2 SER HG H 16.085 -0.064 -5.020 1.00 . A B . 2 SER HG 1 1 7 4973 1 1 2 SER N N 13.500 0.765 -4.391 1.00 . A B . 2 SER N 1 1 7 4974 1 1 2 SER O O 12.398 -2.568 -3.580 1.00 . A B . 2 SER O 1 1 7 4975 1 1 2 SER OG O 16.063 0.044 -4.058 1.00 . A B . 2 SER OG 1 1 7 4976 1 1 3 TRP C C 9.603 -1.131 -2.510 1.00 . A B . 3 TRP C 1 1 7 4977 1 1 3 TRP CA C 10.945 -1.054 -1.784 1.00 . A B . 3 TRP CA 1 1 7 4978 1 1 3 TRP CB C 10.825 -0.133 -0.541 1.00 . A B . 3 TRP CB 1 1 7 4979 1 1 3 TRP CD1 C 11.790 2.234 -0.743 1.00 . A B . 3 TRP CD1 1 1 7 4980 1 1 3 TRP CD2 C 9.648 2.095 -1.343 1.00 . A B . 3 TRP CD2 1 1 7 4981 1 1 3 TRP CE2 C 10.065 3.422 -1.506 1.00 . A B . 3 TRP CE2 1 1 7 4982 1 1 3 TRP CE3 C 8.340 1.765 -1.656 1.00 . A B . 3 TRP CE3 1 1 7 4983 1 1 3 TRP CG C 10.772 1.346 -0.857 1.00 . A B . 3 TRP CG 1 1 7 4984 1 1 3 TRP CH2 C 7.928 4.051 -2.281 1.00 . A B . 3 TRP CH2 1 1 7 4985 1 1 3 TRP CZ2 C 9.211 4.416 -1.975 1.00 . A B . 3 TRP CZ2 1 1 7 4986 1 1 3 TRP CZ3 C 7.497 2.731 -2.120 1.00 . A B . 3 TRP CZ3 1 1 7 4987 1 1 3 TRP H H 12.322 0.318 -2.704 1.00 . A B . 3 TRP H 1 1 7 4988 1 1 3 TRP HA H 11.201 -2.044 -1.437 1.00 . A B . 3 TRP HA 1 1 7 4989 1 1 3 TRP HB2 H 9.916 -0.381 -0.015 1.00 . A B . 3 TRP HB2 1 1 7 4990 1 1 3 TRP HB3 H 11.664 -0.306 0.116 1.00 . A B . 3 TRP HB3 1 1 7 4991 1 1 3 TRP HD1 H 12.782 1.978 -0.400 1.00 . A B . 3 TRP HD1 1 1 7 4992 1 1 3 TRP HE1 H 11.957 4.280 -1.144 1.00 . A B . 3 TRP HE1 1 1 7 4993 1 1 3 TRP HE3 H 7.988 0.752 -1.539 1.00 . A B . 3 TRP HE3 1 1 7 4994 1 1 3 TRP HH2 H 7.228 4.785 -2.652 1.00 . A B . 3 TRP HH2 1 1 7 4995 1 1 3 TRP HZ2 H 9.539 5.437 -2.101 1.00 . A B . 3 TRP HZ2 1 1 7 4996 1 1 3 TRP HZ3 H 6.490 2.433 -2.376 1.00 . A B . 3 TRP HZ3 1 1 7 4997 1 1 3 TRP N N 12.017 -0.607 -2.648 1.00 . A B . 3 TRP N 1 1 7 4998 1 1 3 TRP NE1 N 11.381 3.479 -1.139 1.00 . A B . 3 TRP NE1 1 1 7 4999 1 1 3 TRP O O 8.705 -1.811 -2.053 1.00 . A B . 3 TRP O 1 1 7 5000 1 1 4 MET C C 7.793 -1.604 -5.023 1.00 . A B . 4 MET C 1 1 7 5001 1 1 4 MET CA C 8.161 -0.346 -4.296 1.00 . A B . 4 MET CA 1 1 7 5002 1 1 4 MET CB C 8.007 0.892 -5.206 1.00 . A B . 4 MET CB 1 1 7 5003 1 1 4 MET CE C 9.329 1.865 -9.036 1.00 . A B . 4 MET CE 1 1 7 5004 1 1 4 MET CG C 8.754 0.844 -6.528 1.00 . A B . 4 MET CG 1 1 7 5005 1 1 4 MET H H 10.267 -0.055 -4.082 1.00 . A B . 4 MET H 1 1 7 5006 1 1 4 MET HA H 7.461 -0.255 -3.478 1.00 . A B . 4 MET HA 1 1 7 5007 1 1 4 MET HB2 H 6.958 1.031 -5.419 1.00 . A B . 4 MET HB2 1 1 7 5008 1 1 4 MET HB3 H 8.353 1.754 -4.655 1.00 . A B . 4 MET HB3 1 1 7 5009 1 1 4 MET HE1 H 10.373 1.789 -8.773 1.00 . A B . 4 MET HE1 1 1 7 5010 1 1 4 MET HE2 H 9.198 2.644 -9.772 1.00 . A B . 4 MET HE2 1 1 7 5011 1 1 4 MET HE3 H 8.992 0.925 -9.445 1.00 . A B . 4 MET HE3 1 1 7 5012 1 1 4 MET HG2 H 9.816 0.843 -6.326 1.00 . A B . 4 MET HG2 1 1 7 5013 1 1 4 MET HG3 H 8.487 -0.063 -7.050 1.00 . A B . 4 MET HG3 1 1 7 5014 1 1 4 MET N N 9.475 -0.453 -3.661 1.00 . A B . 4 MET N 1 1 7 5015 1 1 4 MET O O 6.616 -1.898 -5.209 1.00 . A B . 4 MET O 1 1 7 5016 1 1 4 MET SD S 8.363 2.256 -7.575 1.00 . A B . 4 MET SD 1 1 7 5017 1 1 5 GLU C C 8.320 -4.651 -5.005 1.00 . A B . 5 GLU C 1 1 7 5018 1 1 5 GLU CA C 8.527 -3.603 -6.070 1.00 . A B . 5 GLU CA 1 1 7 5019 1 1 5 GLU CB C 9.652 -3.979 -7.018 1.00 . A B . 5 GLU CB 1 1 7 5020 1 1 5 GLU CD C 10.923 -3.400 -9.085 1.00 . A B . 5 GLU CD 1 1 7 5021 1 1 5 GLU CG C 9.890 -2.952 -8.104 1.00 . A B . 5 GLU CG 1 1 7 5022 1 1 5 GLU H H 9.706 -2.080 -5.246 1.00 . A B . 5 GLU H 1 1 7 5023 1 1 5 GLU HA H 7.603 -3.499 -6.620 1.00 . A B . 5 GLU HA 1 1 7 5024 1 1 5 GLU HB2 H 10.563 -4.087 -6.447 1.00 . A B . 5 GLU HB2 1 1 7 5025 1 1 5 GLU HB3 H 9.417 -4.923 -7.487 1.00 . A B . 5 GLU HB3 1 1 7 5026 1 1 5 GLU HG2 H 8.963 -2.778 -8.632 1.00 . A B . 5 GLU HG2 1 1 7 5027 1 1 5 GLU HG3 H 10.219 -2.030 -7.647 1.00 . A B . 5 GLU HG3 1 1 7 5028 1 1 5 GLU N N 8.782 -2.355 -5.421 1.00 . A B . 5 GLU N 1 1 7 5029 1 1 5 GLU O O 9.262 -5.344 -4.590 1.00 . A B . 5 GLU O 1 1 7 5030 1 1 5 GLU OE1 O 10.560 -4.066 -10.077 1.00 . A B . 5 GLU OE1 1 1 7 5031 1 1 5 GLU OE2 O 12.123 -3.100 -8.893 1.00 . A B . 5 GLU OE2 1 1 7 5032 1 1 6 GLU C C 5.277 -5.777 -3.463 1.00 . A B . 6 GLU C 1 1 7 5033 1 1 6 GLU CA C 6.767 -5.549 -3.424 1.00 . A B . 6 GLU CA 1 1 7 5034 1 1 6 GLU CB C 7.123 -4.846 -2.107 1.00 . A B . 6 GLU CB 1 1 7 5035 1 1 6 GLU CD C 7.788 -6.937 -0.875 1.00 . A B . 6 GLU CD 1 1 7 5036 1 1 6 GLU CG C 6.969 -5.686 -0.847 1.00 . A B . 6 GLU CG 1 1 7 5037 1 1 6 GLU H H 6.413 -4.134 -4.890 1.00 . A B . 6 GLU H 1 1 7 5038 1 1 6 GLU HA H 7.310 -6.480 -3.483 1.00 . A B . 6 GLU HA 1 1 7 5039 1 1 6 GLU HB2 H 8.088 -4.367 -2.149 1.00 . A B . 6 GLU HB2 1 1 7 5040 1 1 6 GLU HB3 H 6.386 -4.067 -2.033 1.00 . A B . 6 GLU HB3 1 1 7 5041 1 1 6 GLU HG2 H 7.275 -5.095 0.003 1.00 . A B . 6 GLU HG2 1 1 7 5042 1 1 6 GLU HG3 H 5.928 -5.955 -0.739 1.00 . A B . 6 GLU HG3 1 1 7 5043 1 1 6 GLU N N 7.119 -4.700 -4.508 1.00 . A B . 6 GLU N 1 1 7 5044 1 1 6 GLU O O 4.537 -5.014 -4.095 1.00 . A B . 6 GLU O 1 1 7 5045 1 1 6 GLU OE1 O 7.340 -7.943 -1.455 1.00 . A B . 6 GLU OE1 1 1 7 5046 1 1 6 GLU OE2 O 8.892 -6.936 -0.317 1.00 . A B . 6 GLU OE2 1 1 7 5047 1 1 7 VAL C C 3.265 -7.481 -1.142 1.00 . A B . 7 VAL C 1 1 7 5048 1 1 7 VAL CA C 3.486 -7.123 -2.605 1.00 . A B . 7 VAL CA 1 1 7 5049 1 1 7 VAL CB C 3.026 -8.278 -3.571 1.00 . A B . 7 VAL CB 1 1 7 5050 1 1 7 VAL CG1 C 3.882 -9.532 -3.421 1.00 . A B . 7 VAL CG1 1 1 7 5051 1 1 7 VAL CG2 C 1.541 -8.608 -3.375 1.00 . A B . 7 VAL CG2 1 1 7 5052 1 1 7 VAL H H 5.551 -7.277 -2.276 1.00 . A B . 7 VAL H 1 1 7 5053 1 1 7 VAL HA H 2.912 -6.231 -2.808 1.00 . A B . 7 VAL HA 1 1 7 5054 1 1 7 VAL HB H 3.158 -7.922 -4.583 1.00 . A B . 7 VAL HB 1 1 7 5055 1 1 7 VAL HG11 H 3.805 -9.899 -2.408 1.00 . A B . 7 VAL HG11 1 1 7 5056 1 1 7 VAL HG12 H 4.912 -9.289 -3.637 1.00 . A B . 7 VAL HG12 1 1 7 5057 1 1 7 VAL HG13 H 3.537 -10.289 -4.109 1.00 . A B . 7 VAL HG13 1 1 7 5058 1 1 7 VAL HG21 H 0.942 -7.732 -3.582 1.00 . A B . 7 VAL HG21 1 1 7 5059 1 1 7 VAL HG22 H 1.369 -8.919 -2.354 1.00 . A B . 7 VAL HG22 1 1 7 5060 1 1 7 VAL HG23 H 1.250 -9.405 -4.042 1.00 . A B . 7 VAL HG23 1 1 7 5061 1 1 7 VAL N N 4.863 -6.773 -2.766 1.00 . A B . 7 VAL N 1 1 7 5062 1 1 7 VAL O O 3.982 -8.309 -0.577 1.00 . A B . 7 VAL O 1 1 7 5063 1 1 8 ILE C C 0.581 -7.312 1.001 1.00 . A B . 8 ILE C 1 1 7 5064 1 1 8 ILE CA C 2.049 -7.018 0.870 1.00 . A B . 8 ILE CA 1 1 7 5065 1 1 8 ILE CB C 2.412 -5.772 1.742 1.00 . A B . 8 ILE CB 1 1 7 5066 1 1 8 ILE CD1 C 1.932 -3.251 2.024 1.00 . A B . 8 ILE CD1 1 1 7 5067 1 1 8 ILE CG1 C 1.613 -4.538 1.278 1.00 . A B . 8 ILE CG1 1 1 7 5068 1 1 8 ILE CG2 C 3.919 -5.504 1.716 1.00 . A B . 8 ILE CG2 1 1 7 5069 1 1 8 ILE H H 1.786 -6.182 -1.035 1.00 . A B . 8 ILE H 1 1 7 5070 1 1 8 ILE HA H 2.615 -7.871 1.215 1.00 . A B . 8 ILE HA 1 1 7 5071 1 1 8 ILE HB H 2.140 -6.001 2.762 1.00 . A B . 8 ILE HB 1 1 7 5072 1 1 8 ILE HD11 H 1.726 -3.375 3.077 1.00 . A B . 8 ILE HD11 1 1 7 5073 1 1 8 ILE HD12 H 1.327 -2.447 1.630 1.00 . A B . 8 ILE HD12 1 1 7 5074 1 1 8 ILE HD13 H 2.977 -3.009 1.891 1.00 . A B . 8 ILE HD13 1 1 7 5075 1 1 8 ILE HG12 H 1.801 -4.393 0.228 1.00 . A B . 8 ILE HG12 1 1 7 5076 1 1 8 ILE HG13 H 0.560 -4.748 1.406 1.00 . A B . 8 ILE HG13 1 1 7 5077 1 1 8 ILE HG21 H 4.230 -5.316 0.700 1.00 . A B . 8 ILE HG21 1 1 7 5078 1 1 8 ILE HG22 H 4.447 -6.363 2.100 1.00 . A B . 8 ILE HG22 1 1 7 5079 1 1 8 ILE HG23 H 4.142 -4.641 2.326 1.00 . A B . 8 ILE HG23 1 1 7 5080 1 1 8 ILE N N 2.345 -6.814 -0.525 1.00 . A B . 8 ILE N 1 1 7 5081 1 1 8 ILE O O -0.162 -7.194 0.027 1.00 . A B . 8 ILE O 1 1 7 5082 1 1 9 LYS C C -1.648 -7.361 3.712 1.00 . A B . 9 LYS C 1 1 7 5083 1 1 9 LYS CA C -1.211 -7.984 2.396 1.00 . A B . 9 LYS CA 1 1 7 5084 1 1 9 LYS CB C -1.451 -9.500 2.387 1.00 . A B . 9 LYS CB 1 1 7 5085 1 1 9 LYS CD C -3.069 -11.401 2.569 1.00 . A B . 9 LYS CD 1 1 7 5086 1 1 9 LYS CE C -4.532 -11.796 2.621 1.00 . A B . 9 LYS CE 1 1 7 5087 1 1 9 LYS CG C -2.910 -9.900 2.470 1.00 . A B . 9 LYS CG 1 1 7 5088 1 1 9 LYS H H 0.815 -7.731 2.894 1.00 . A B . 9 LYS H 1 1 7 5089 1 1 9 LYS HA H -1.782 -7.531 1.599 1.00 . A B . 9 LYS HA 1 1 7 5090 1 1 9 LYS HB2 H -1.040 -9.913 1.477 1.00 . A B . 9 LYS HB2 1 1 7 5091 1 1 9 LYS HB3 H -0.934 -9.933 3.230 1.00 . A B . 9 LYS HB3 1 1 7 5092 1 1 9 LYS HD2 H -2.610 -11.861 1.706 1.00 . A B . 9 LYS HD2 1 1 7 5093 1 1 9 LYS HD3 H -2.577 -11.748 3.467 1.00 . A B . 9 LYS HD3 1 1 7 5094 1 1 9 LYS HE2 H -5.019 -11.444 1.724 1.00 . A B . 9 LYS HE2 1 1 7 5095 1 1 9 LYS HE3 H -4.592 -12.873 2.661 1.00 . A B . 9 LYS HE3 1 1 7 5096 1 1 9 LYS HG2 H -3.348 -9.440 3.341 1.00 . A B . 9 LYS HG2 1 1 7 5097 1 1 9 LYS HG3 H -3.419 -9.549 1.585 1.00 . A B . 9 LYS HG3 1 1 7 5098 1 1 9 LYS HZ1 H -6.241 -11.492 3.773 1.00 . A B . 9 LYS HZ1 1 1 7 5099 1 1 9 LYS HZ2 H -5.185 -10.188 3.797 1.00 . A B . 9 LYS HZ2 1 1 7 5100 1 1 9 LYS HZ3 H -4.826 -11.579 4.685 1.00 . A B . 9 LYS HZ3 1 1 7 5101 1 1 9 LYS N N 0.167 -7.678 2.160 1.00 . A B . 9 LYS N 1 1 7 5102 1 1 9 LYS NZ N -5.235 -11.228 3.798 1.00 . A B . 9 LYS NZ 1 1 7 5103 1 1 9 LYS O O -1.699 -8.024 4.764 1.00 . A B . 9 LYS O 1 1 7 5104 1 1 10 LEU C C -3.729 -4.965 4.714 1.00 . A B . 10 LEU C 1 1 7 5105 1 1 10 LEU CA C -2.310 -5.344 4.845 1.00 . A B . 10 LEU CA 1 1 7 5106 1 1 10 LEU CB C -1.454 -4.105 5.132 1.00 . A B . 10 LEU CB 1 1 7 5107 1 1 10 LEU CD1 C 0.766 -5.309 5.258 1.00 . A B . 10 LEU CD1 1 1 7 5108 1 1 10 LEU CD2 C 0.556 -3.017 6.156 1.00 . A B . 10 LEU CD2 1 1 7 5109 1 1 10 LEU CG C -0.163 -4.323 5.929 1.00 . A B . 10 LEU CG 1 1 7 5110 1 1 10 LEU H H -1.797 -5.601 2.822 1.00 . A B . 10 LEU H 1 1 7 5111 1 1 10 LEU HA H -2.243 -6.009 5.693 1.00 . A B . 10 LEU HA 1 1 7 5112 1 1 10 LEU HB2 H -1.224 -3.631 4.194 1.00 . A B . 10 LEU HB2 1 1 7 5113 1 1 10 LEU HB3 H -2.074 -3.417 5.691 1.00 . A B . 10 LEU HB3 1 1 7 5114 1 1 10 LEU HD11 H 0.274 -6.268 5.196 1.00 . A B . 10 LEU HD11 1 1 7 5115 1 1 10 LEU HD12 H 1.671 -5.392 5.840 1.00 . A B . 10 LEU HD12 1 1 7 5116 1 1 10 LEU HD13 H 0.999 -4.955 4.266 1.00 . A B . 10 LEU HD13 1 1 7 5117 1 1 10 LEU HD21 H 0.841 -2.603 5.200 1.00 . A B . 10 LEU HD21 1 1 7 5118 1 1 10 LEU HD22 H 1.443 -3.189 6.747 1.00 . A B . 10 LEU HD22 1 1 7 5119 1 1 10 LEU HD23 H -0.095 -2.322 6.666 1.00 . A B . 10 LEU HD23 1 1 7 5120 1 1 10 LEU HG H -0.471 -4.701 6.892 1.00 . A B . 10 LEU HG 1 1 7 5121 1 1 10 LEU N N -1.878 -6.079 3.675 1.00 . A B . 10 LEU N 1 1 7 5122 1 1 10 LEU O O -4.326 -5.110 3.649 1.00 . A B . 10 LEU O 1 1 7 5123 1 1 11 CYS C C -5.947 -3.183 6.885 1.00 . A B . 11 CYS C 1 1 7 5124 1 1 11 CYS CA C -5.663 -4.142 5.782 1.00 . A B . 11 CYS CA 1 1 7 5125 1 1 11 CYS CB C -6.472 -5.440 5.922 1.00 . A B . 11 CYS CB 1 1 7 5126 1 1 11 CYS H H -3.710 -4.279 6.557 1.00 . A B . 11 CYS H 1 1 7 5127 1 1 11 CYS HA H -5.917 -3.682 4.839 1.00 . A B . 11 CYS HA 1 1 7 5128 1 1 11 CYS HB2 H -6.250 -5.958 5.006 1.00 . A B . 11 CYS HB2 1 1 7 5129 1 1 11 CYS HB3 H -6.128 -6.006 6.774 1.00 . A B . 11 CYS HB3 1 1 7 5130 1 1 11 CYS N N -4.270 -4.459 5.765 1.00 . A B . 11 CYS N 1 1 7 5131 1 1 11 CYS O O -5.100 -2.977 7.777 1.00 . A B . 11 CYS O 1 1 7 5132 1 1 11 CYS SG S -8.296 -5.299 5.962 1.00 . A B . 11 CYS SG 1 1 7 5133 1 1 12 GLY C C -6.583 -0.493 7.997 1.00 . A B . 12 GLY C 1 1 7 5134 1 1 12 GLY CA C -7.557 -1.612 7.761 1.00 . A B . 12 GLY CA 1 1 7 5135 1 1 12 GLY H H -7.644 -2.802 6.007 1.00 . A B . 12 GLY H 1 1 7 5136 1 1 12 GLY HA2 H -8.496 -1.185 7.445 1.00 . A B . 12 GLY HA2 1 1 7 5137 1 1 12 GLY HA3 H -7.714 -2.129 8.697 1.00 . A B . 12 GLY HA3 1 1 7 5138 1 1 12 GLY N N -7.094 -2.567 6.789 1.00 . A B . 12 GLY N 1 1 7 5139 1 1 12 GLY O O -6.042 0.115 7.047 1.00 . A B . 12 GLY O 1 1 7 5140 1 1 13 ARG C C -3.999 0.520 9.256 1.00 . A B . 13 ARG C 1 1 7 5141 1 1 13 ARG CA C -5.425 0.775 9.681 1.00 . A B . 13 ARG CA 1 1 7 5142 1 1 13 ARG CB C -5.472 0.947 11.185 1.00 . A B . 13 ARG CB 1 1 7 5143 1 1 13 ARG CD C -6.754 1.432 13.257 1.00 . A B . 13 ARG CD 1 1 7 5144 1 1 13 ARG CG C -6.819 1.351 11.746 1.00 . A B . 13 ARG CG 1 1 7 5145 1 1 13 ARG CZ C -5.779 -0.006 15.051 1.00 . A B . 13 ARG CZ 1 1 7 5146 1 1 13 ARG H H -6.709 -0.876 9.910 1.00 . A B . 13 ARG H 1 1 7 5147 1 1 13 ARG HA H -5.760 1.695 9.226 1.00 . A B . 13 ARG HA 1 1 7 5148 1 1 13 ARG HB2 H -5.179 0.018 11.652 1.00 . A B . 13 ARG HB2 1 1 7 5149 1 1 13 ARG HB3 H -4.755 1.709 11.452 1.00 . A B . 13 ARG HB3 1 1 7 5150 1 1 13 ARG HD2 H -6.033 2.186 13.531 1.00 . A B . 13 ARG HD2 1 1 7 5151 1 1 13 ARG HD3 H -7.727 1.708 13.637 1.00 . A B . 13 ARG HD3 1 1 7 5152 1 1 13 ARG HE H -6.561 -0.640 13.296 1.00 . A B . 13 ARG HE 1 1 7 5153 1 1 13 ARG HG2 H -7.091 2.318 11.348 1.00 . A B . 13 ARG HG2 1 1 7 5154 1 1 13 ARG HG3 H -7.558 0.617 11.458 1.00 . A B . 13 ARG HG3 1 1 7 5155 1 1 13 ARG HH11 H -5.667 1.993 15.482 1.00 . A B . 13 ARG HH11 1 1 7 5156 1 1 13 ARG HH12 H -5.063 0.962 16.695 1.00 . A B . 13 ARG HH12 1 1 7 5157 1 1 13 ARG HH21 H -5.651 -2.061 14.977 1.00 . A B . 13 ARG HH21 1 1 7 5158 1 1 13 ARG HH22 H -5.074 -1.353 16.407 1.00 . A B . 13 ARG HH22 1 1 7 5159 1 1 13 ARG N N -6.303 -0.276 9.247 1.00 . A B . 13 ARG N 1 1 7 5160 1 1 13 ARG NE N -6.354 0.145 13.852 1.00 . A B . 13 ARG NE 1 1 7 5161 1 1 13 ARG NH1 N -5.481 1.056 15.787 1.00 . A B . 13 ARG NH1 1 1 7 5162 1 1 13 ARG NH2 N -5.478 -1.220 15.499 1.00 . A B . 13 ARG NH2 1 1 7 5163 1 1 13 ARG O O -3.289 1.458 8.946 1.00 . A B . 13 ARG O 1 1 7 5164 1 1 14 GLU C C -1.949 -0.713 7.414 1.00 . A B . 14 GLU C 1 1 7 5165 1 1 14 GLU CA C -2.204 -1.057 8.839 1.00 . A B . 14 GLU CA 1 1 7 5166 1 1 14 GLU CB C -1.854 -2.508 9.095 1.00 . A B . 14 GLU CB 1 1 7 5167 1 1 14 GLU CD C -1.209 -4.225 10.781 1.00 . A B . 14 GLU CD 1 1 7 5168 1 1 14 GLU CG C -1.818 -2.877 10.555 1.00 . A B . 14 GLU CG 1 1 7 5169 1 1 14 GLU H H -4.198 -1.506 9.336 1.00 . A B . 14 GLU H 1 1 7 5170 1 1 14 GLU HA H -1.568 -0.432 9.448 1.00 . A B . 14 GLU HA 1 1 7 5171 1 1 14 GLU HB2 H -2.610 -3.111 8.615 1.00 . A B . 14 GLU HB2 1 1 7 5172 1 1 14 GLU HB3 H -0.900 -2.733 8.642 1.00 . A B . 14 GLU HB3 1 1 7 5173 1 1 14 GLU HG2 H -1.239 -2.141 11.091 1.00 . A B . 14 GLU HG2 1 1 7 5174 1 1 14 GLU HG3 H -2.830 -2.885 10.931 1.00 . A B . 14 GLU HG3 1 1 7 5175 1 1 14 GLU N N -3.579 -0.754 9.193 1.00 . A B . 14 GLU N 1 1 7 5176 1 1 14 GLU O O -0.877 -0.245 7.059 1.00 . A B . 14 GLU O 1 1 7 5177 1 1 14 GLU OE1 O -1.933 -5.241 10.733 1.00 . A B . 14 GLU OE1 1 1 7 5178 1 1 14 GLU OE2 O 0.015 -4.295 11.032 1.00 . A B . 14 GLU OE2 1 1 7 5179 1 1 15 LEU C C -2.715 0.907 5.024 1.00 . A B . 15 LEU C 1 1 7 5180 1 1 15 LEU CA C -2.876 -0.598 5.212 1.00 . A B . 15 LEU CA 1 1 7 5181 1 1 15 LEU CB C -4.130 -1.098 4.521 1.00 . A B . 15 LEU CB 1 1 7 5182 1 1 15 LEU CD1 C -2.998 -1.954 2.491 1.00 . A B . 15 LEU CD1 1 1 7 5183 1 1 15 LEU CD2 C -5.434 -1.600 2.491 1.00 . A B . 15 LEU CD2 1 1 7 5184 1 1 15 LEU CG C -4.121 -1.088 3.008 1.00 . A B . 15 LEU CG 1 1 7 5185 1 1 15 LEU H H -3.790 -1.241 7.002 1.00 . A B . 15 LEU H 1 1 7 5186 1 1 15 LEU HA H -2.015 -1.110 4.810 1.00 . A B . 15 LEU HA 1 1 7 5187 1 1 15 LEU HB2 H -4.305 -2.113 4.847 1.00 . A B . 15 LEU HB2 1 1 7 5188 1 1 15 LEU HB3 H -4.958 -0.491 4.857 1.00 . A B . 15 LEU HB3 1 1 7 5189 1 1 15 LEU HD11 H -2.045 -1.575 2.827 1.00 . A B . 15 LEU HD11 1 1 7 5190 1 1 15 LEU HD12 H -3.025 -1.971 1.411 1.00 . A B . 15 LEU HD12 1 1 7 5191 1 1 15 LEU HD13 H -3.143 -2.957 2.869 1.00 . A B . 15 LEU HD13 1 1 7 5192 1 1 15 LEU HD21 H -5.614 -2.591 2.882 1.00 . A B . 15 LEU HD21 1 1 7 5193 1 1 15 LEU HD22 H -5.384 -1.637 1.413 1.00 . A B . 15 LEU HD22 1 1 7 5194 1 1 15 LEU HD23 H -6.225 -0.937 2.807 1.00 . A B . 15 LEU HD23 1 1 7 5195 1 1 15 LEU HG H -3.981 -0.080 2.645 1.00 . A B . 15 LEU HG 1 1 7 5196 1 1 15 LEU N N -2.960 -0.893 6.613 1.00 . A B . 15 LEU N 1 1 7 5197 1 1 15 LEU O O -1.898 1.360 4.230 1.00 . A B . 15 LEU O 1 1 7 5198 1 1 16 VAL C C -1.988 3.550 6.355 1.00 . A B . 16 VAL C 1 1 7 5199 1 1 16 VAL CA C -3.354 3.126 5.812 1.00 . A B . 16 VAL CA 1 1 7 5200 1 1 16 VAL CB C -4.490 3.778 6.655 1.00 . A B . 16 VAL CB 1 1 7 5201 1 1 16 VAL CG1 C -4.403 5.301 6.634 1.00 . A B . 16 VAL CG1 1 1 7 5202 1 1 16 VAL CG2 C -5.849 3.324 6.157 1.00 . A B . 16 VAL CG2 1 1 7 5203 1 1 16 VAL H H -4.082 1.226 6.434 1.00 . A B . 16 VAL H 1 1 7 5204 1 1 16 VAL HA H -3.414 3.478 4.789 1.00 . A B . 16 VAL HA 1 1 7 5205 1 1 16 VAL HB H -4.377 3.449 7.677 1.00 . A B . 16 VAL HB 1 1 7 5206 1 1 16 VAL HG11 H -5.199 5.713 7.236 1.00 . A B . 16 VAL HG11 1 1 7 5207 1 1 16 VAL HG12 H -4.500 5.653 5.618 1.00 . A B . 16 VAL HG12 1 1 7 5208 1 1 16 VAL HG13 H -3.449 5.613 7.034 1.00 . A B . 16 VAL HG13 1 1 7 5209 1 1 16 VAL HG21 H -6.622 3.776 6.761 1.00 . A B . 16 VAL HG21 1 1 7 5210 1 1 16 VAL HG22 H -5.919 2.249 6.233 1.00 . A B . 16 VAL HG22 1 1 7 5211 1 1 16 VAL HG23 H -5.975 3.622 5.128 1.00 . A B . 16 VAL HG23 1 1 7 5212 1 1 16 VAL N N -3.448 1.667 5.824 1.00 . A B . 16 VAL N 1 1 7 5213 1 1 16 VAL O O -1.361 4.452 5.819 1.00 . A B . 16 VAL O 1 1 7 5214 1 1 17 ARG C C 0.879 2.925 6.955 1.00 . A B . 17 ARG C 1 1 7 5215 1 1 17 ARG CA C -0.211 3.108 7.989 1.00 . A B . 17 ARG CA 1 1 7 5216 1 1 17 ARG CB C 0.046 2.197 9.195 1.00 . A B . 17 ARG CB 1 1 7 5217 1 1 17 ARG CD C -0.589 1.482 11.525 1.00 . A B . 17 ARG CD 1 1 7 5218 1 1 17 ARG CG C -0.754 2.544 10.441 1.00 . A B . 17 ARG CG 1 1 7 5219 1 1 17 ARG CZ C 1.269 0.174 12.559 1.00 . A B . 17 ARG CZ 1 1 7 5220 1 1 17 ARG H H -2.119 2.185 7.796 1.00 . A B . 17 ARG H 1 1 7 5221 1 1 17 ARG HA H -0.186 4.134 8.313 1.00 . A B . 17 ARG HA 1 1 7 5222 1 1 17 ARG HB2 H -0.197 1.183 8.915 1.00 . A B . 17 ARG HB2 1 1 7 5223 1 1 17 ARG HB3 H 1.095 2.240 9.444 1.00 . A B . 17 ARG HB3 1 1 7 5224 1 1 17 ARG HD2 H -1.117 1.810 12.406 1.00 . A B . 17 ARG HD2 1 1 7 5225 1 1 17 ARG HD3 H -1.013 0.551 11.179 1.00 . A B . 17 ARG HD3 1 1 7 5226 1 1 17 ARG HE H 1.448 1.964 11.647 1.00 . A B . 17 ARG HE 1 1 7 5227 1 1 17 ARG HG2 H -0.412 3.493 10.825 1.00 . A B . 17 ARG HG2 1 1 7 5228 1 1 17 ARG HG3 H -1.799 2.617 10.176 1.00 . A B . 17 ARG HG3 1 1 7 5229 1 1 17 ARG HH11 H -0.554 -0.749 12.764 1.00 . A B . 17 ARG HH11 1 1 7 5230 1 1 17 ARG HH12 H 0.753 -1.627 13.411 1.00 . A B . 17 ARG HH12 1 1 7 5231 1 1 17 ARG HH21 H 3.190 0.821 12.581 1.00 . A B . 17 ARG HH21 1 1 7 5232 1 1 17 ARG HH22 H 2.951 -0.703 13.325 1.00 . A B . 17 ARG HH22 1 1 7 5233 1 1 17 ARG N N -1.531 2.867 7.401 1.00 . A B . 17 ARG N 1 1 7 5234 1 1 17 ARG NE N 0.812 1.257 11.902 1.00 . A B . 17 ARG NE 1 1 7 5235 1 1 17 ARG NH1 N 0.433 -0.798 12.942 1.00 . A B . 17 ARG NH1 1 1 7 5236 1 1 17 ARG NH2 N 2.558 0.087 12.846 1.00 . A B . 17 ARG NH2 1 1 7 5237 1 1 17 ARG O O 1.760 3.772 6.827 1.00 . A B . 17 ARG O 1 1 7 5238 1 1 18 ALA C C 1.677 2.621 4.079 1.00 . A B . 18 ALA C 1 1 7 5239 1 1 18 ALA CA C 1.734 1.541 5.144 1.00 . A B . 18 ALA CA 1 1 7 5240 1 1 18 ALA CB C 1.436 0.183 4.536 1.00 . A B . 18 ALA CB 1 1 7 5241 1 1 18 ALA H H 0.058 1.219 6.418 1.00 . A B . 18 ALA H 1 1 7 5242 1 1 18 ALA HA H 2.726 1.523 5.572 1.00 . A B . 18 ALA HA 1 1 7 5243 1 1 18 ALA HB1 H 1.491 -0.571 5.307 1.00 . A B . 18 ALA HB1 1 1 7 5244 1 1 18 ALA HB2 H 2.158 -0.033 3.762 1.00 . A B . 18 ALA HB2 1 1 7 5245 1 1 18 ALA HB3 H 0.444 0.191 4.109 1.00 . A B . 18 ALA HB3 1 1 7 5246 1 1 18 ALA N N 0.789 1.843 6.213 1.00 . A B . 18 ALA N 1 1 7 5247 1 1 18 ALA O O 2.703 3.119 3.640 1.00 . A B . 18 ALA O 1 1 7 5248 1 1 19 GLN C C 0.886 5.365 3.166 1.00 . A B . 19 GLN C 1 1 7 5249 1 1 19 GLN CA C 0.224 4.056 2.733 1.00 . A B . 19 GLN CA 1 1 7 5250 1 1 19 GLN CB C -1.271 4.267 2.589 1.00 . A B . 19 GLN CB 1 1 7 5251 1 1 19 GLN CD C -3.387 3.467 1.496 1.00 . A B . 19 GLN CD 1 1 7 5252 1 1 19 GLN CG C -1.932 3.226 1.737 1.00 . A B . 19 GLN CG 1 1 7 5253 1 1 19 GLN H H -0.301 2.512 4.083 1.00 . A B . 19 GLN H 1 1 7 5254 1 1 19 GLN HA H 0.615 3.721 1.777 1.00 . A B . 19 GLN HA 1 1 7 5255 1 1 19 GLN HB2 H -1.671 4.161 3.588 1.00 . A B . 19 GLN HB2 1 1 7 5256 1 1 19 GLN HB3 H -1.516 5.259 2.256 1.00 . A B . 19 GLN HB3 1 1 7 5257 1 1 19 GLN HE21 H -3.229 2.571 -0.241 1.00 . A B . 19 GLN HE21 1 1 7 5258 1 1 19 GLN HE22 H -4.799 3.152 0.168 1.00 . A B . 19 GLN HE22 1 1 7 5259 1 1 19 GLN HG2 H -1.442 3.239 0.777 1.00 . A B . 19 GLN HG2 1 1 7 5260 1 1 19 GLN HG3 H -1.806 2.263 2.208 1.00 . A B . 19 GLN HG3 1 1 7 5261 1 1 19 GLN N N 0.467 2.991 3.697 1.00 . A B . 19 GLN N 1 1 7 5262 1 1 19 GLN NE2 N -3.852 3.023 0.364 1.00 . A B . 19 GLN NE2 1 1 7 5263 1 1 19 GLN O O 1.645 5.974 2.412 1.00 . A B . 19 GLN O 1 1 7 5264 1 1 19 GLN OE1 O -4.088 4.052 2.315 1.00 . A B . 19 GLN OE1 1 1 7 5265 1 1 20 ILE C C 2.708 6.877 5.027 1.00 . A B . 20 ILE C 1 1 7 5266 1 1 20 ILE CA C 1.174 6.989 4.969 1.00 . A B . 20 ILE CA 1 1 7 5267 1 1 20 ILE CB C 0.599 7.291 6.397 1.00 . A B . 20 ILE CB 1 1 7 5268 1 1 20 ILE CD1 C -1.387 8.654 5.469 1.00 . A B . 20 ILE CD1 1 1 7 5269 1 1 20 ILE CG1 C -0.930 7.502 6.349 1.00 . A B . 20 ILE CG1 1 1 7 5270 1 1 20 ILE CG2 C 1.279 8.507 7.033 1.00 . A B . 20 ILE CG2 1 1 7 5271 1 1 20 ILE H H -0.088 5.262 4.874 1.00 . A B . 20 ILE H 1 1 7 5272 1 1 20 ILE HA H 0.931 7.814 4.314 1.00 . A B . 20 ILE HA 1 1 7 5273 1 1 20 ILE HB H 0.809 6.434 7.021 1.00 . A B . 20 ILE HB 1 1 7 5274 1 1 20 ILE HD11 H -1.092 8.472 4.447 1.00 . A B . 20 ILE HD11 1 1 7 5275 1 1 20 ILE HD12 H -0.939 9.573 5.818 1.00 . A B . 20 ILE HD12 1 1 7 5276 1 1 20 ILE HD13 H -2.463 8.738 5.522 1.00 . A B . 20 ILE HD13 1 1 7 5277 1 1 20 ILE HG12 H -1.394 6.604 5.972 1.00 . A B . 20 ILE HG12 1 1 7 5278 1 1 20 ILE HG13 H -1.287 7.685 7.351 1.00 . A B . 20 ILE HG13 1 1 7 5279 1 1 20 ILE HG21 H 1.123 9.373 6.408 1.00 . A B . 20 ILE HG21 1 1 7 5280 1 1 20 ILE HG22 H 2.339 8.320 7.129 1.00 . A B . 20 ILE HG22 1 1 7 5281 1 1 20 ILE HG23 H 0.855 8.687 8.011 1.00 . A B . 20 ILE HG23 1 1 7 5282 1 1 20 ILE N N 0.587 5.783 4.380 1.00 . A B . 20 ILE N 1 1 7 5283 1 1 20 ILE O O 3.412 7.855 4.778 1.00 . A B . 20 ILE O 1 1 7 5284 1 1 21 ALA C C 5.273 5.648 4.000 1.00 . A B . 21 ALA C 1 1 7 5285 1 1 21 ALA CA C 4.646 5.423 5.363 1.00 . A B . 21 ALA CA 1 1 7 5286 1 1 21 ALA CB C 4.943 4.014 5.858 1.00 . A B . 21 ALA CB 1 1 7 5287 1 1 21 ALA H H 2.590 4.937 5.497 1.00 . A B . 21 ALA H 1 1 7 5288 1 1 21 ALA HA H 5.075 6.133 6.055 1.00 . A B . 21 ALA HA 1 1 7 5289 1 1 21 ALA HB1 H 6.012 3.879 5.939 1.00 . A B . 21 ALA HB1 1 1 7 5290 1 1 21 ALA HB2 H 4.544 3.297 5.156 1.00 . A B . 21 ALA HB2 1 1 7 5291 1 1 21 ALA HB3 H 4.487 3.863 6.824 1.00 . A B . 21 ALA HB3 1 1 7 5292 1 1 21 ALA N N 3.208 5.677 5.311 1.00 . A B . 21 ALA N 1 1 7 5293 1 1 21 ALA O O 6.356 6.225 3.901 1.00 . A B . 21 ALA O 1 1 7 5294 1 1 22 ILE C C 5.130 6.879 1.288 1.00 . A B . 22 ILE C 1 1 7 5295 1 1 22 ILE CA C 4.998 5.403 1.576 1.00 . A B . 22 ILE CA 1 1 7 5296 1 1 22 ILE CB C 3.961 4.853 0.547 1.00 . A B . 22 ILE CB 1 1 7 5297 1 1 22 ILE CD1 C 4.851 2.481 0.503 1.00 . A B . 22 ILE CD1 1 1 7 5298 1 1 22 ILE CG1 C 3.672 3.369 0.736 1.00 . A B . 22 ILE CG1 1 1 7 5299 1 1 22 ILE CG2 C 4.432 5.118 -0.878 1.00 . A B . 22 ILE CG2 1 1 7 5300 1 1 22 ILE H H 3.733 4.723 3.134 1.00 . A B . 22 ILE H 1 1 7 5301 1 1 22 ILE HA H 5.942 4.906 1.418 1.00 . A B . 22 ILE HA 1 1 7 5302 1 1 22 ILE HB H 3.048 5.414 0.688 1.00 . A B . 22 ILE HB 1 1 7 5303 1 1 22 ILE HD11 H 5.200 2.618 -0.509 1.00 . A B . 22 ILE HD11 1 1 7 5304 1 1 22 ILE HD12 H 4.543 1.456 0.641 1.00 . A B . 22 ILE HD12 1 1 7 5305 1 1 22 ILE HD13 H 5.637 2.729 1.200 1.00 . A B . 22 ILE HD13 1 1 7 5306 1 1 22 ILE HG12 H 3.333 3.200 1.748 1.00 . A B . 22 ILE HG12 1 1 7 5307 1 1 22 ILE HG13 H 2.890 3.074 0.052 1.00 . A B . 22 ILE HG13 1 1 7 5308 1 1 22 ILE HG21 H 4.459 6.182 -1.063 1.00 . A B . 22 ILE HG21 1 1 7 5309 1 1 22 ILE HG22 H 3.767 4.627 -1.571 1.00 . A B . 22 ILE HG22 1 1 7 5310 1 1 22 ILE HG23 H 5.425 4.710 -1.000 1.00 . A B . 22 ILE HG23 1 1 7 5311 1 1 22 ILE N N 4.567 5.212 2.956 1.00 . A B . 22 ILE N 1 1 7 5312 1 1 22 ILE O O 6.185 7.361 0.923 1.00 . A B . 22 ILE O 1 1 7 5313 1 1 23 CYS C C 4.793 9.883 2.052 1.00 . A B . 23 CYS C 1 1 7 5314 1 1 23 CYS CA C 3.963 8.986 1.161 1.00 . A B . 23 CYS CA 1 1 7 5315 1 1 23 CYS CB C 2.519 9.371 1.288 1.00 . A B . 23 CYS CB 1 1 7 5316 1 1 23 CYS H H 3.308 7.157 1.987 1.00 . A B . 23 CYS H 1 1 7 5317 1 1 23 CYS HA H 4.250 9.104 0.128 1.00 . A B . 23 CYS HA 1 1 7 5318 1 1 23 CYS HB2 H 2.237 9.181 2.316 1.00 . A B . 23 CYS HB2 1 1 7 5319 1 1 23 CYS HB3 H 2.440 10.423 1.096 1.00 . A B . 23 CYS HB3 1 1 7 5320 1 1 23 CYS N N 4.069 7.593 1.543 1.00 . A B . 23 CYS N 1 1 7 5321 1 1 23 CYS O O 5.230 10.966 1.650 1.00 . A B . 23 CYS O 1 1 7 5322 1 1 23 CYS SG S 1.398 8.413 0.216 1.00 . A B . 23 CYS SG 1 1 7 5323 1 1 24 GLY C C 7.339 9.842 3.906 1.00 . A B . 24 GLY C 1 1 7 5324 1 1 24 GLY CA C 5.877 10.111 4.149 1.00 . A B . 24 GLY CA 1 1 7 5325 1 1 24 GLY H H 4.553 8.596 3.454 1.00 . A B . 24 GLY H 1 1 7 5326 1 1 24 GLY HA2 H 5.695 11.172 4.065 1.00 . A B . 24 GLY HA2 1 1 7 5327 1 1 24 GLY HA3 H 5.628 9.788 5.149 1.00 . A B . 24 GLY HA3 1 1 7 5328 1 1 24 GLY N N 5.035 9.416 3.218 1.00 . A B . 24 GLY N 1 1 7 5329 1 1 24 GLY O O 8.190 10.623 4.310 1.00 . A B . 24 GLY O 1 1 7 5330 1 1 25 MET C C 9.150 7.648 1.667 1.00 . A B . 25 MET C 1 1 7 5331 1 1 25 MET CA C 8.998 8.388 2.985 1.00 . A B . 25 MET CA 1 1 7 5332 1 1 25 MET CB C 9.613 7.609 4.166 1.00 . A B . 25 MET CB 1 1 7 5333 1 1 25 MET CE C 12.114 9.536 4.851 1.00 . A B . 25 MET CE 1 1 7 5334 1 1 25 MET CG C 11.038 7.140 3.923 1.00 . A B . 25 MET CG 1 1 7 5335 1 1 25 MET H H 6.938 8.170 2.869 1.00 . A B . 25 MET H 1 1 7 5336 1 1 25 MET HA H 9.538 9.319 2.883 1.00 . A B . 25 MET HA 1 1 7 5337 1 1 25 MET HB2 H 9.607 8.241 5.041 1.00 . A B . 25 MET HB2 1 1 7 5338 1 1 25 MET HB3 H 8.999 6.742 4.360 1.00 . A B . 25 MET HB3 1 1 7 5339 1 1 25 MET HE1 H 12.458 8.974 5.705 1.00 . A B . 25 MET HE1 1 1 7 5340 1 1 25 MET HE2 H 11.104 9.877 5.027 1.00 . A B . 25 MET HE2 1 1 7 5341 1 1 25 MET HE3 H 12.760 10.385 4.691 1.00 . A B . 25 MET HE3 1 1 7 5342 1 1 25 MET HG2 H 11.424 6.694 4.826 1.00 . A B . 25 MET HG2 1 1 7 5343 1 1 25 MET HG3 H 11.003 6.398 3.137 1.00 . A B . 25 MET HG3 1 1 7 5344 1 1 25 MET N N 7.640 8.752 3.236 1.00 . A B . 25 MET N 1 1 7 5345 1 1 25 MET O O 9.158 6.416 1.605 1.00 . A B . 25 MET O 1 1 7 5346 1 1 25 MET SD S 12.147 8.476 3.409 1.00 . A B . 25 MET SD 1 1 7 5347 1 1 26 SER C C 10.863 8.212 -1.106 1.00 . A B . 26 SER C 1 1 7 5348 1 1 26 SER CA C 9.437 7.880 -0.713 1.00 . A B . 26 SER CA 1 1 7 5349 1 1 26 SER CB C 8.463 8.449 -1.737 1.00 . A B . 26 SER CB 1 1 7 5350 1 1 26 SER H H 8.936 9.360 0.718 1.00 . A B . 26 SER H 1 1 7 5351 1 1 26 SER HA H 9.328 6.813 -0.653 1.00 . A B . 26 SER HA 1 1 7 5352 1 1 26 SER HB2 H 8.596 9.519 -1.793 1.00 . A B . 26 SER HB2 1 1 7 5353 1 1 26 SER HB3 H 8.664 8.012 -2.705 1.00 . A B . 26 SER HB3 1 1 7 5354 1 1 26 SER HG H 7.090 7.849 -0.469 1.00 . A B . 26 SER HG 1 1 7 5355 1 1 26 SER N N 9.166 8.410 0.609 1.00 . A B . 26 SER N 1 1 7 5356 1 1 26 SER O O 11.353 7.836 -2.169 1.00 . A B . 26 SER O 1 1 7 5357 1 1 26 SER OG O 7.120 8.180 -1.380 1.00 . A B . 26 SER OG 1 1 7 5358 1 1 27 THR C C 13.881 8.252 -0.086 1.00 . A B . 27 THR C 1 1 7 5359 1 1 27 THR CA C 12.873 9.350 -0.438 1.00 . A B . 27 THR CA 1 1 7 5360 1 1 27 THR CB C 13.093 10.573 0.436 1.00 . A B . 27 THR CB 1 1 7 5361 1 1 27 THR CG2 C 14.244 11.411 -0.084 1.00 . A B . 27 THR CG2 1 1 7 5362 1 1 27 THR H H 11.060 9.076 0.619 1.00 . A B . 27 THR H 1 1 7 5363 1 1 27 THR HA H 12.983 9.619 -1.471 1.00 . A B . 27 THR HA 1 1 7 5364 1 1 27 THR HB H 13.301 10.227 1.437 1.00 . A B . 27 THR HB 1 1 7 5365 1 1 27 THR HG1 H 11.710 11.559 -0.537 1.00 . A B . 27 THR HG1 1 1 7 5366 1 1 27 THR HG21 H 14.388 12.270 0.556 1.00 . A B . 27 THR HG21 1 1 7 5367 1 1 27 THR HG22 H 14.020 11.742 -1.086 1.00 . A B . 27 THR HG22 1 1 7 5368 1 1 27 THR HG23 H 15.143 10.814 -0.098 1.00 . A B . 27 THR HG23 1 1 7 5369 1 1 27 THR N N 11.523 8.876 -0.221 1.00 . A B . 27 THR N 1 1 7 5370 1 1 27 THR O O 15.069 8.310 -0.411 1.00 . A B . 27 THR O 1 1 7 5371 1 1 27 THR OG1 O 11.883 11.370 0.397 1.00 . A B . 27 THR OG1 1 1 7 5372 1 1 28 TRP C C 14.460 5.267 -0.249 1.00 . A B . 28 TRP C 1 1 7 5373 1 1 28 TRP CA C 14.123 6.119 0.974 1.00 . A B . 28 TRP CA 1 1 7 5374 1 1 28 TRP CB C 13.284 5.326 1.976 1.00 . A B . 28 TRP CB 1 1 7 5375 1 1 28 TRP CD1 C 13.966 2.895 2.319 1.00 . A B . 28 TRP CD1 1 1 7 5376 1 1 28 TRP CD2 C 14.854 4.318 3.790 1.00 . A B . 28 TRP CD2 1 1 7 5377 1 1 28 TRP CE2 C 15.304 3.027 4.091 1.00 . A B . 28 TRP CE2 1 1 7 5378 1 1 28 TRP CE3 C 15.283 5.386 4.586 1.00 . A B . 28 TRP CE3 1 1 7 5379 1 1 28 TRP CG C 14.000 4.212 2.651 1.00 . A B . 28 TRP CG 1 1 7 5380 1 1 28 TRP CH2 C 16.567 3.824 5.913 1.00 . A B . 28 TRP CH2 1 1 7 5381 1 1 28 TRP CZ2 C 16.160 2.765 5.150 1.00 . A B . 28 TRP CZ2 1 1 7 5382 1 1 28 TRP CZ3 C 16.136 5.125 5.639 1.00 . A B . 28 TRP CZ3 1 1 7 5383 1 1 28 TRP H H 12.423 7.391 0.748 1.00 . A B . 28 TRP H 1 1 7 5384 1 1 28 TRP HA H 15.031 6.451 1.454 1.00 . A B . 28 TRP HA 1 1 7 5385 1 1 28 TRP HB2 H 12.956 6.003 2.751 1.00 . A B . 28 TRP HB2 1 1 7 5386 1 1 28 TRP HB3 H 12.421 4.921 1.469 1.00 . A B . 28 TRP HB3 1 1 7 5387 1 1 28 TRP HD1 H 13.401 2.489 1.494 1.00 . A B . 28 TRP HD1 1 1 7 5388 1 1 28 TRP HE1 H 14.887 1.209 3.147 1.00 . A B . 28 TRP HE1 1 1 7 5389 1 1 28 TRP HE3 H 14.958 6.397 4.387 1.00 . A B . 28 TRP HE3 1 1 7 5390 1 1 28 TRP HH2 H 17.234 3.667 6.747 1.00 . A B . 28 TRP HH2 1 1 7 5391 1 1 28 TRP HZ2 H 16.499 1.763 5.371 1.00 . A B . 28 TRP HZ2 1 1 7 5392 1 1 28 TRP HZ3 H 16.480 5.935 6.265 1.00 . A B . 28 TRP HZ3 1 1 7 5393 1 1 28 TRP N N 13.374 7.274 0.556 1.00 . A B . 28 TRP N 1 1 7 5394 1 1 28 TRP NE1 N 14.747 2.180 3.177 1.00 . A B . 28 TRP NE1 1 1 7 5395 1 1 28 TRP O O 13.620 5.109 -1.154 1.00 . A B . 28 TRP O 1 1 7 5396 1 1 29 SER C C 15.348 2.599 -1.403 1.00 . A B . 29 SER C 1 1 7 5397 1 1 29 SER CA C 16.122 3.926 -1.384 1.00 . A B . 29 SER CA 1 1 7 5398 1 1 29 SER CB C 17.630 3.696 -1.284 1.00 . A B . 29 SER CB 1 1 7 5399 1 1 29 SER H H 16.302 4.959 0.433 1.00 . A B . 29 SER H 1 1 7 5400 1 1 29 SER HA H 15.905 4.453 -2.300 1.00 . A B . 29 SER HA 1 1 7 5401 1 1 29 SER HB2 H 17.850 3.069 -0.434 1.00 . A B . 29 SER HB2 1 1 7 5402 1 1 29 SER HB3 H 17.974 3.207 -2.184 1.00 . A B . 29 SER HB3 1 1 7 5403 1 1 29 SER HG H 17.759 5.643 -1.497 1.00 . A B . 29 SER HG 1 1 7 5404 1 1 29 SER N N 15.672 4.760 -0.295 1.00 . A B . 29 SER N 1 1 7 5405 1 1 29 SER O O 14.523 2.358 -2.302 1.00 . A B . 29 SER O 1 1 7 5406 1 1 29 SER OG O 18.320 4.937 -1.150 1.00 . A B . 29 SER OG 1 1 7 5407 1 1 30 NH2 HN1 H 16.251 2.011 0.253 1.00 . A B . 30 NH2 HN1 1 1 7 5408 1 1 30 NH2 HN2 H 15.095 0.908 -0.396 1.00 . A B . 30 NH2 HN2 1 1 7 5409 1 1 30 NH2 N N 15.587 1.755 -0.422 1.00 . A B . 30 NH2 N 1 1 7 5410 2 2 1 PCA C C -12.119 3.524 -5.319 1.00 . B A . 1 PCA C 1 1 7 5411 2 2 1 PCA CA C -13.448 4.206 -5.133 1.00 . B A . 1 PCA CA 1 1 7 5412 2 2 1 PCA CB C -14.572 3.305 -5.595 1.00 . B A . 1 PCA CB 1 1 7 5413 2 2 1 PCA CD C -14.587 5.408 -6.737 1.00 . B A . 1 PCA CD 1 1 7 5414 2 2 1 PCA CG C -15.310 4.070 -6.674 1.00 . B A . 1 PCA CG 1 1 7 5415 2 2 1 PCA HA H -13.538 4.460 -4.091 1.00 . B A . 1 PCA HA 1 1 7 5416 2 2 1 PCA HB2 H -14.162 2.381 -6.003 1.00 . B A . 1 PCA HB2 1 1 7 5417 2 2 1 PCA HB3 H -15.240 3.078 -4.765 1.00 . B A . 1 PCA HB3 1 1 7 5418 2 2 1 PCA HG2 H -15.246 3.540 -7.626 1.00 . B A . 1 PCA HG2 1 1 7 5419 2 2 1 PCA HG3 H -16.348 4.242 -6.393 1.00 . B A . 1 PCA HG3 1 1 7 5420 2 2 1 PCA N N -13.509 5.433 -5.956 1.00 . B A . 1 PCA N 1 1 7 5421 2 2 1 PCA O O -11.940 2.350 -5.006 1.00 . B A . 1 PCA O 1 1 7 5422 2 2 1 PCA OE O -14.970 6.348 -7.427 1.00 . B A . 1 PCA OE 1 1 7 5423 2 2 2 LEU C C -9.114 3.353 -4.856 1.00 . B A . 2 LEU C 1 1 7 5424 2 2 2 LEU CA C -9.837 3.871 -6.092 1.00 . B A . 2 LEU CA 1 1 7 5425 2 2 2 LEU CB C -9.050 5.018 -6.728 1.00 . B A . 2 LEU CB 1 1 7 5426 2 2 2 LEU CD1 C -8.763 6.738 -8.527 1.00 . B A . 2 LEU CD1 1 1 7 5427 2 2 2 LEU CD2 C -9.573 4.456 -9.127 1.00 . B A . 2 LEU CD2 1 1 7 5428 2 2 2 LEU CG C -9.584 5.550 -8.065 1.00 . B A . 2 LEU CG 1 1 7 5429 2 2 2 LEU H H -11.502 5.236 -5.861 1.00 . B A . 2 LEU H 1 1 7 5430 2 2 2 LEU HA H -9.908 3.064 -6.803 1.00 . B A . 2 LEU HA 1 1 7 5431 2 2 2 LEU HB2 H -9.032 5.837 -6.024 1.00 . B A . 2 LEU HB2 1 1 7 5432 2 2 2 LEU HB3 H -8.036 4.680 -6.879 1.00 . B A . 2 LEU HB3 1 1 7 5433 2 2 2 LEU HD11 H -8.809 7.520 -7.785 1.00 . B A . 2 LEU HD11 1 1 7 5434 2 2 2 LEU HD12 H -9.162 7.106 -9.461 1.00 . B A . 2 LEU HD12 1 1 7 5435 2 2 2 LEU HD13 H -7.736 6.434 -8.669 1.00 . B A . 2 LEU HD13 1 1 7 5436 2 2 2 LEU HD21 H -9.923 4.863 -10.065 1.00 . B A . 2 LEU HD21 1 1 7 5437 2 2 2 LEU HD22 H -10.218 3.646 -8.823 1.00 . B A . 2 LEU HD22 1 1 7 5438 2 2 2 LEU HD23 H -8.566 4.086 -9.251 1.00 . B A . 2 LEU HD23 1 1 7 5439 2 2 2 LEU HG H -10.603 5.882 -7.929 1.00 . B A . 2 LEU HG 1 1 7 5440 2 2 2 LEU N N -11.193 4.309 -5.772 1.00 . B A . 2 LEU N 1 1 7 5441 2 2 2 LEU O O -8.467 2.301 -4.884 1.00 . B A . 2 LEU O 1 1 7 5442 2 2 3 TYR C C -9.345 2.506 -1.945 1.00 . B A . 3 TYR C 1 1 7 5443 2 2 3 TYR CA C -8.638 3.692 -2.523 1.00 . B A . 3 TYR CA 1 1 7 5444 2 2 3 TYR CB C -8.681 4.832 -1.533 1.00 . B A . 3 TYR CB 1 1 7 5445 2 2 3 TYR CD1 C -6.447 5.984 -1.558 1.00 . B A . 3 TYR CD1 1 1 7 5446 2 2 3 TYR CD2 C -8.307 7.108 -2.521 1.00 . B A . 3 TYR CD2 1 1 7 5447 2 2 3 TYR CE1 C -5.636 7.051 -1.872 1.00 . B A . 3 TYR CE1 1 1 7 5448 2 2 3 TYR CE2 C -7.507 8.174 -2.838 1.00 . B A . 3 TYR CE2 1 1 7 5449 2 2 3 TYR CG C -7.796 5.995 -1.879 1.00 . B A . 3 TYR CG 1 1 7 5450 2 2 3 TYR CZ C -6.171 8.145 -2.513 1.00 . B A . 3 TYR CZ 1 1 7 5451 2 2 3 TYR H H -9.836 4.862 -3.821 1.00 . B A . 3 TYR H 1 1 7 5452 2 2 3 TYR HA H -7.608 3.434 -2.720 1.00 . B A . 3 TYR HA 1 1 7 5453 2 2 3 TYR HB2 H -9.697 5.198 -1.513 1.00 . B A . 3 TYR HB2 1 1 7 5454 2 2 3 TYR HB3 H -8.439 4.450 -0.556 1.00 . B A . 3 TYR HB3 1 1 7 5455 2 2 3 TYR HD1 H -6.032 5.122 -1.057 1.00 . B A . 3 TYR HD1 1 1 7 5456 2 2 3 TYR HD2 H -9.355 7.135 -2.776 1.00 . B A . 3 TYR HD2 1 1 7 5457 2 2 3 TYR HE1 H -4.587 7.026 -1.617 1.00 . B A . 3 TYR HE1 1 1 7 5458 2 2 3 TYR HE2 H -7.937 9.027 -3.340 1.00 . B A . 3 TYR HE2 1 1 7 5459 2 2 3 TYR HH H -4.523 8.865 -3.177 1.00 . B A . 3 TYR HH 1 1 7 5460 2 2 3 TYR N N -9.260 4.068 -3.773 1.00 . B A . 3 TYR N 1 1 7 5461 2 2 3 TYR O O -8.717 1.549 -1.516 1.00 . B A . 3 TYR O 1 1 7 5462 2 2 3 TYR OH O -5.363 9.217 -2.839 1.00 . B A . 3 TYR OH 1 1 7 5463 2 2 4 SER C C -11.219 0.190 -2.188 1.00 . B A . 4 SER C 1 1 7 5464 2 2 4 SER CA C -11.521 1.530 -1.473 1.00 . B A . 4 SER CA 1 1 7 5465 2 2 4 SER CB C -12.967 1.946 -1.701 1.00 . B A . 4 SER CB 1 1 7 5466 2 2 4 SER H H -11.034 3.445 -2.231 1.00 . B A . 4 SER H 1 1 7 5467 2 2 4 SER HA H -11.360 1.408 -0.412 1.00 . B A . 4 SER HA 1 1 7 5468 2 2 4 SER HB2 H -13.161 1.999 -2.761 1.00 . B A . 4 SER HB2 1 1 7 5469 2 2 4 SER HB3 H -13.628 1.222 -1.246 1.00 . B A . 4 SER HB3 1 1 7 5470 2 2 4 SER HG H -14.172 3.308 -1.014 1.00 . B A . 4 SER HG 1 1 7 5471 2 2 4 SER N N -10.649 2.592 -1.940 1.00 . B A . 4 SER N 1 1 7 5472 2 2 4 SER O O -11.140 -0.862 -1.541 1.00 . B A . 4 SER O 1 1 7 5473 2 2 4 SER OG O -13.216 3.225 -1.121 1.00 . B A . 4 SER OG 1 1 7 5474 2 2 5 ALA C C -9.390 -1.546 -3.822 1.00 . B A . 5 ALA C 1 1 7 5475 2 2 5 ALA CA C -10.706 -0.945 -4.290 1.00 . B A . 5 ALA CA 1 1 7 5476 2 2 5 ALA CB C -10.645 -0.607 -5.775 1.00 . B A . 5 ALA CB 1 1 7 5477 2 2 5 ALA H H -11.129 1.101 -3.972 1.00 . B A . 5 ALA H 1 1 7 5478 2 2 5 ALA HA H -11.493 -1.668 -4.130 1.00 . B A . 5 ALA HA 1 1 7 5479 2 2 5 ALA HB1 H -11.586 -0.176 -6.085 1.00 . B A . 5 ALA HB1 1 1 7 5480 2 2 5 ALA HB2 H -10.458 -1.506 -6.343 1.00 . B A . 5 ALA HB2 1 1 7 5481 2 2 5 ALA HB3 H -9.849 0.102 -5.949 1.00 . B A . 5 ALA HB3 1 1 7 5482 2 2 5 ALA N N -11.028 0.241 -3.503 1.00 . B A . 5 ALA N 1 1 7 5483 2 2 5 ALA O O -9.293 -2.754 -3.589 1.00 . B A . 5 ALA O 1 1 7 5484 2 2 6 LEU C C -7.212 -1.689 -1.730 1.00 . B A . 6 LEU C 1 1 7 5485 2 2 6 LEU CA C -7.088 -1.115 -3.145 1.00 . B A . 6 LEU CA 1 1 7 5486 2 2 6 LEU CB C -6.107 0.065 -3.133 1.00 . B A . 6 LEU CB 1 1 7 5487 2 2 6 LEU CD1 C -3.957 -1.130 -3.656 1.00 . B A . 6 LEU CD1 1 1 7 5488 2 2 6 LEU CD2 C -3.904 1.021 -2.377 1.00 . B A . 6 LEU CD2 1 1 7 5489 2 2 6 LEU CG C -4.683 -0.251 -2.658 1.00 . B A . 6 LEU CG 1 1 7 5490 2 2 6 LEU H H -8.549 0.262 -3.827 1.00 . B A . 6 LEU H 1 1 7 5491 2 2 6 LEU HA H -6.720 -1.885 -3.809 1.00 . B A . 6 LEU HA 1 1 7 5492 2 2 6 LEU HB2 H -6.049 0.464 -4.134 1.00 . B A . 6 LEU HB2 1 1 7 5493 2 2 6 LEU HB3 H -6.513 0.830 -2.488 1.00 . B A . 6 LEU HB3 1 1 7 5494 2 2 6 LEU HD11 H -3.921 -0.634 -4.615 1.00 . B A . 6 LEU HD11 1 1 7 5495 2 2 6 LEU HD12 H -4.474 -2.074 -3.753 1.00 . B A . 6 LEU HD12 1 1 7 5496 2 2 6 LEU HD13 H -2.950 -1.305 -3.307 1.00 . B A . 6 LEU HD13 1 1 7 5497 2 2 6 LEU HD21 H -4.382 1.567 -1.576 1.00 . B A . 6 LEU HD21 1 1 7 5498 2 2 6 LEU HD22 H -3.880 1.634 -3.262 1.00 . B A . 6 LEU HD22 1 1 7 5499 2 2 6 LEU HD23 H -2.893 0.772 -2.086 1.00 . B A . 6 LEU HD23 1 1 7 5500 2 2 6 LEU HG H -4.755 -0.812 -1.738 1.00 . B A . 6 LEU HG 1 1 7 5501 2 2 6 LEU N N -8.396 -0.689 -3.631 1.00 . B A . 6 LEU N 1 1 7 5502 2 2 6 LEU O O -6.629 -2.734 -1.421 1.00 . B A . 6 LEU O 1 1 7 5503 2 2 7 ALA C C -8.770 -2.801 0.577 1.00 . B A . 7 ALA C 1 1 7 5504 2 2 7 ALA CA C -8.218 -1.394 0.489 1.00 . B A . 7 ALA CA 1 1 7 5505 2 2 7 ALA CB C -9.153 -0.407 1.183 1.00 . B A . 7 ALA CB 1 1 7 5506 2 2 7 ALA H H -8.413 -0.178 -1.225 1.00 . B A . 7 ALA H 1 1 7 5507 2 2 7 ALA HA H -7.267 -1.368 0.995 1.00 . B A . 7 ALA HA 1 1 7 5508 2 2 7 ALA HB1 H -9.252 -0.673 2.225 1.00 . B A . 7 ALA HB1 1 1 7 5509 2 2 7 ALA HB2 H -10.123 -0.439 0.709 1.00 . B A . 7 ALA HB2 1 1 7 5510 2 2 7 ALA HB3 H -8.747 0.591 1.103 1.00 . B A . 7 ALA HB3 1 1 7 5511 2 2 7 ALA N N -7.991 -1.004 -0.894 1.00 . B A . 7 ALA N 1 1 7 5512 2 2 7 ALA O O -8.277 -3.631 1.352 1.00 . B A . 7 ALA O 1 1 7 5513 2 2 8 ASN C C -9.431 -5.406 -0.884 1.00 . B A . 8 ASN C 1 1 7 5514 2 2 8 ASN CA C -10.372 -4.387 -0.276 1.00 . B A . 8 ASN CA 1 1 7 5515 2 2 8 ASN CB C -11.718 -4.369 -1.026 1.00 . B A . 8 ASN CB 1 1 7 5516 2 2 8 ASN CG C -12.848 -3.715 -0.232 1.00 . B A . 8 ASN CG 1 1 7 5517 2 2 8 ASN H H -10.075 -2.359 -0.833 1.00 . B A . 8 ASN H 1 1 7 5518 2 2 8 ASN HA H -10.554 -4.676 0.749 1.00 . B A . 8 ASN HA 1 1 7 5519 2 2 8 ASN HB2 H -11.598 -3.821 -1.948 1.00 . B A . 8 ASN HB2 1 1 7 5520 2 2 8 ASN HB3 H -12.004 -5.384 -1.256 1.00 . B A . 8 ASN HB3 1 1 7 5521 2 2 8 ASN HD21 H -12.397 -1.934 -0.950 1.00 . B A . 8 ASN HD21 1 1 7 5522 2 2 8 ASN HD22 H -13.718 -1.970 0.141 1.00 . B A . 8 ASN HD22 1 1 7 5523 2 2 8 ASN N N -9.758 -3.076 -0.239 1.00 . B A . 8 ASN N 1 1 7 5524 2 2 8 ASN ND2 N -13.006 -2.429 -0.355 1.00 . B A . 8 ASN ND2 1 1 7 5525 2 2 8 ASN O O -9.239 -6.476 -0.331 1.00 . B A . 8 ASN O 1 1 7 5526 2 2 8 ASN OD1 O -13.581 -4.385 0.496 1.00 . B A . 8 ASN OD1 1 1 7 5527 2 2 9 LYS C C -6.741 -6.405 -1.815 1.00 . B A . 9 LYS C 1 1 7 5528 2 2 9 LYS CA C -7.897 -5.949 -2.696 1.00 . B A . 9 LYS CA 1 1 7 5529 2 2 9 LYS CB C -7.359 -5.289 -3.975 1.00 . B A . 9 LYS CB 1 1 7 5530 2 2 9 LYS CD C -6.089 -5.498 -6.140 1.00 . B A . 9 LYS CD 1 1 7 5531 2 2 9 LYS CE C -5.406 -6.447 -7.122 1.00 . B A . 9 LYS CE 1 1 7 5532 2 2 9 LYS CG C -6.581 -6.226 -4.894 1.00 . B A . 9 LYS CG 1 1 7 5533 2 2 9 LYS H H -8.933 -4.138 -2.339 1.00 . B A . 9 LYS H 1 1 7 5534 2 2 9 LYS HA H -8.453 -6.835 -2.956 1.00 . B A . 9 LYS HA 1 1 7 5535 2 2 9 LYS HB2 H -8.160 -4.820 -4.525 1.00 . B A . 9 LYS HB2 1 1 7 5536 2 2 9 LYS HB3 H -6.682 -4.505 -3.666 1.00 . B A . 9 LYS HB3 1 1 7 5537 2 2 9 LYS HD2 H -6.932 -5.037 -6.632 1.00 . B A . 9 LYS HD2 1 1 7 5538 2 2 9 LYS HD3 H -5.386 -4.735 -5.842 1.00 . B A . 9 LYS HD3 1 1 7 5539 2 2 9 LYS HE2 H -5.038 -5.877 -7.961 1.00 . B A . 9 LYS HE2 1 1 7 5540 2 2 9 LYS HE3 H -4.576 -6.920 -6.621 1.00 . B A . 9 LYS HE3 1 1 7 5541 2 2 9 LYS HG2 H -5.728 -6.615 -4.356 1.00 . B A . 9 LYS HG2 1 1 7 5542 2 2 9 LYS HG3 H -7.223 -7.041 -5.190 1.00 . B A . 9 LYS HG3 1 1 7 5543 2 2 9 LYS HZ1 H -5.857 -8.090 -8.337 1.00 . B A . 9 LYS HZ1 1 1 7 5544 2 2 9 LYS HZ2 H -7.159 -7.067 -8.082 1.00 . B A . 9 LYS HZ2 1 1 7 5545 2 2 9 LYS HZ3 H -6.673 -8.115 -6.866 1.00 . B A . 9 LYS HZ3 1 1 7 5546 2 2 9 LYS N N -8.794 -5.043 -1.979 1.00 . B A . 9 LYS N 1 1 7 5547 2 2 9 LYS NZ N -6.329 -7.495 -7.625 1.00 . B A . 9 LYS NZ 1 1 7 5548 2 2 9 LYS O O -6.472 -7.598 -1.716 1.00 . B A . 9 LYS O 1 1 7 5549 2 2 10 CYS C C -5.384 -6.556 0.907 1.00 . B A . 10 CYS C 1 1 7 5550 2 2 10 CYS CA C -4.952 -5.783 -0.326 1.00 . B A . 10 CYS CA 1 1 7 5551 2 2 10 CYS CB C -4.242 -4.505 0.088 1.00 . B A . 10 CYS CB 1 1 7 5552 2 2 10 CYS H H -6.402 -4.537 -1.221 1.00 . B A . 10 CYS H 1 1 7 5553 2 2 10 CYS HA H -4.260 -6.406 -0.882 1.00 . B A . 10 CYS HA 1 1 7 5554 2 2 10 CYS HB2 H -4.258 -3.791 -0.721 1.00 . B A . 10 CYS HB2 1 1 7 5555 2 2 10 CYS HB3 H -4.777 -4.081 0.925 1.00 . B A . 10 CYS HB3 1 1 7 5556 2 2 10 CYS N N -6.103 -5.474 -1.154 1.00 . B A . 10 CYS N 1 1 7 5557 2 2 10 CYS O O -4.644 -7.392 1.417 1.00 . B A . 10 CYS O 1 1 7 5558 2 2 10 CYS SG S -2.520 -4.754 0.614 1.00 . B A . 10 CYS SG 1 1 7 5559 2 2 11 CYS C C -7.435 -8.431 2.182 1.00 . B A . 11 CYS C 1 1 7 5560 2 2 11 CYS CA C -7.109 -6.977 2.522 1.00 . B A . 11 CYS CA 1 1 7 5561 2 2 11 CYS CB C -8.344 -6.242 3.062 1.00 . B A . 11 CYS CB 1 1 7 5562 2 2 11 CYS H H -7.163 -5.637 0.910 1.00 . B A . 11 CYS H 1 1 7 5563 2 2 11 CYS HA H -6.335 -6.968 3.274 1.00 . B A . 11 CYS HA 1 1 7 5564 2 2 11 CYS HB2 H -8.122 -5.188 3.119 1.00 . B A . 11 CYS HB2 1 1 7 5565 2 2 11 CYS HB3 H -9.154 -6.382 2.362 1.00 . B A . 11 CYS HB3 1 1 7 5566 2 2 11 CYS N N -6.598 -6.304 1.357 1.00 . B A . 11 CYS N 1 1 7 5567 2 2 11 CYS O O -7.133 -9.339 2.959 1.00 . B A . 11 CYS O 1 1 7 5568 2 2 11 CYS SG S -8.930 -6.777 4.711 1.00 . B A . 11 CYS SG 1 1 7 5569 2 2 12 HIS C C -7.205 -10.803 0.076 1.00 . B A . 12 HIS C 1 1 7 5570 2 2 12 HIS CA C -8.379 -10.005 0.597 1.00 . B A . 12 HIS CA 1 1 7 5571 2 2 12 HIS CB C -9.502 -9.993 -0.440 1.00 . B A . 12 HIS CB 1 1 7 5572 2 2 12 HIS CD2 C -11.290 -8.405 0.548 1.00 . B A . 12 HIS CD2 1 1 7 5573 2 2 12 HIS CE1 C -12.960 -9.760 0.658 1.00 . B A . 12 HIS CE1 1 1 7 5574 2 2 12 HIS CG C -10.849 -9.599 0.102 1.00 . B A . 12 HIS CG 1 1 7 5575 2 2 12 HIS H H -8.153 -7.911 0.366 1.00 . B A . 12 HIS H 1 1 7 5576 2 2 12 HIS HA H -8.745 -10.498 1.484 1.00 . B A . 12 HIS HA 1 1 7 5577 2 2 12 HIS HB2 H -9.241 -9.279 -1.208 1.00 . B A . 12 HIS HB2 1 1 7 5578 2 2 12 HIS HB3 H -9.572 -10.972 -0.886 1.00 . B A . 12 HIS HB3 1 1 7 5579 2 2 12 HIS HD1 H -11.950 -11.398 -0.067 1.00 . B A . 12 HIS HD1 1 1 7 5580 2 2 12 HIS HD2 H -10.686 -7.512 0.618 1.00 . B A . 12 HIS HD2 1 1 7 5581 2 2 12 HIS HE1 H -13.944 -10.171 0.827 1.00 . B A . 12 HIS HE1 1 1 7 5582 2 2 12 HIS N N -7.994 -8.657 0.993 1.00 . B A . 12 HIS N 1 1 7 5583 2 2 12 HIS ND1 N -11.926 -10.448 0.182 1.00 . B A . 12 HIS ND1 1 1 7 5584 2 2 12 HIS NE2 N -12.625 -8.504 0.898 1.00 . B A . 12 HIS NE2 1 1 7 5585 2 2 12 HIS O O -6.914 -11.886 0.575 1.00 . B A . 12 HIS O 1 1 7 5586 2 2 13 VAL C C -4.087 -10.309 -1.258 1.00 . B A . 13 VAL C 1 1 7 5587 2 2 13 VAL CA C -5.429 -10.984 -1.523 1.00 . B A . 13 VAL CA 1 1 7 5588 2 2 13 VAL CB C -5.643 -11.231 -3.046 1.00 . B A . 13 VAL CB 1 1 7 5589 2 2 13 VAL CG1 C -6.777 -12.219 -3.265 1.00 . B A . 13 VAL CG1 1 1 7 5590 2 2 13 VAL CG2 C -5.946 -9.940 -3.805 1.00 . B A . 13 VAL CG2 1 1 7 5591 2 2 13 VAL H H -6.795 -9.386 -1.232 1.00 . B A . 13 VAL H 1 1 7 5592 2 2 13 VAL HA H -5.392 -11.948 -1.036 1.00 . B A . 13 VAL HA 1 1 7 5593 2 2 13 VAL HB H -4.712 -11.634 -3.415 1.00 . B A . 13 VAL HB 1 1 7 5594 2 2 13 VAL HG11 H -6.922 -12.379 -4.323 1.00 . B A . 13 VAL HG11 1 1 7 5595 2 2 13 VAL HG12 H -7.680 -11.811 -2.833 1.00 . B A . 13 VAL HG12 1 1 7 5596 2 2 13 VAL HG13 H -6.541 -13.156 -2.783 1.00 . B A . 13 VAL HG13 1 1 7 5597 2 2 13 VAL HG21 H -6.084 -10.163 -4.853 1.00 . B A . 13 VAL HG21 1 1 7 5598 2 2 13 VAL HG22 H -5.122 -9.252 -3.689 1.00 . B A . 13 VAL HG22 1 1 7 5599 2 2 13 VAL HG23 H -6.846 -9.492 -3.410 1.00 . B A . 13 VAL HG23 1 1 7 5600 2 2 13 VAL N N -6.540 -10.279 -0.913 1.00 . B A . 13 VAL N 1 1 7 5601 2 2 13 VAL O O -3.137 -10.948 -0.809 1.00 . B A . 13 VAL O 1 1 7 5602 2 2 14 GLY C C -2.678 -7.192 -2.313 1.00 . B A . 14 GLY C 1 1 7 5603 2 2 14 GLY CA C -2.807 -8.304 -1.325 1.00 . B A . 14 GLY CA 1 1 7 5604 2 2 14 GLY H H -4.801 -8.599 -1.917 1.00 . B A . 14 GLY H 1 1 7 5605 2 2 14 GLY HA2 H -2.784 -7.896 -0.327 1.00 . B A . 14 GLY HA2 1 1 7 5606 2 2 14 GLY HA3 H -1.959 -8.956 -1.440 1.00 . B A . 14 GLY HA3 1 1 7 5607 2 2 14 GLY N N -4.016 -9.045 -1.533 1.00 . B A . 14 GLY N 1 1 7 5608 2 2 14 GLY O O -3.467 -7.111 -3.266 1.00 . B A . 14 GLY O 1 1 7 5609 2 2 15 CYS C C -0.046 -4.995 -3.181 1.00 . B A . 15 CYS C 1 1 7 5610 2 2 15 CYS CA C -1.508 -5.210 -2.954 1.00 . B A . 15 CYS CA 1 1 7 5611 2 2 15 CYS CB C -2.107 -3.958 -2.335 1.00 . B A . 15 CYS CB 1 1 7 5612 2 2 15 CYS H H -1.118 -6.474 -1.336 1.00 . B A . 15 CYS H 1 1 7 5613 2 2 15 CYS HA H -2.001 -5.394 -3.896 1.00 . B A . 15 CYS HA 1 1 7 5614 2 2 15 CYS HB2 H -1.857 -3.128 -2.980 1.00 . B A . 15 CYS HB2 1 1 7 5615 2 2 15 CYS HB3 H -3.177 -4.066 -2.307 1.00 . B A . 15 CYS HB3 1 1 7 5616 2 2 15 CYS N N -1.725 -6.345 -2.102 1.00 . B A . 15 CYS N 1 1 7 5617 2 2 15 CYS O O 0.795 -5.453 -2.394 1.00 . B A . 15 CYS O 1 1 7 5618 2 2 15 CYS SG S -1.484 -3.547 -0.651 1.00 . B A . 15 CYS SG 1 1 7 5619 2 2 16 THR C C 1.993 -2.672 -3.952 1.00 . B A . 16 THR C 1 1 7 5620 2 2 16 THR CA C 1.609 -4.015 -4.527 1.00 . B A . 16 THR CA 1 1 7 5621 2 2 16 THR CB C 1.887 -4.110 -6.033 1.00 . B A . 16 THR CB 1 1 7 5622 2 2 16 THR CG2 C 2.031 -5.564 -6.461 1.00 . B A . 16 THR CG2 1 1 7 5623 2 2 16 THR H H -0.421 -3.946 -4.822 1.00 . B A . 16 THR H 1 1 7 5624 2 2 16 THR HA H 2.200 -4.756 -4.022 1.00 . B A . 16 THR HA 1 1 7 5625 2 2 16 THR HB H 2.811 -3.590 -6.239 1.00 . B A . 16 THR HB 1 1 7 5626 2 2 16 THR HG1 H 0.375 -4.168 -7.283 1.00 . B A . 16 THR HG1 1 1 7 5627 2 2 16 THR HG21 H 2.166 -5.609 -7.530 1.00 . B A . 16 THR HG21 1 1 7 5628 2 2 16 THR HG22 H 1.141 -6.110 -6.187 1.00 . B A . 16 THR HG22 1 1 7 5629 2 2 16 THR HG23 H 2.894 -5.996 -5.975 1.00 . B A . 16 THR HG23 1 1 7 5630 2 2 16 THR N N 0.269 -4.309 -4.228 1.00 . B A . 16 THR N 1 1 7 5631 2 2 16 THR O O 1.185 -1.754 -3.908 1.00 . B A . 16 THR O 1 1 7 5632 2 2 16 THR OG1 O 0.827 -3.482 -6.771 1.00 . B A . 16 THR OG1 1 1 7 5633 2 2 17 LYS C C 3.699 -0.180 -3.794 1.00 . B A . 17 LYS C 1 1 7 5634 2 2 17 LYS CA C 3.755 -1.378 -2.840 1.00 . B A . 17 LYS CA 1 1 7 5635 2 2 17 LYS CB C 5.186 -1.694 -2.413 1.00 . B A . 17 LYS CB 1 1 7 5636 2 2 17 LYS CD C 5.419 -1.181 0.064 1.00 . B A . 17 LYS CD 1 1 7 5637 2 2 17 LYS CE C 6.364 -0.506 1.065 1.00 . B A . 17 LYS CE 1 1 7 5638 2 2 17 LYS CG C 5.841 -0.826 -1.356 1.00 . B A . 17 LYS CG 1 1 7 5639 2 2 17 LYS H H 3.772 -3.371 -3.661 1.00 . B A . 17 LYS H 1 1 7 5640 2 2 17 LYS HA H 3.154 -1.102 -1.982 1.00 . B A . 17 LYS HA 1 1 7 5641 2 2 17 LYS HB2 H 5.161 -2.692 -2.014 1.00 . B A . 17 LYS HB2 1 1 7 5642 2 2 17 LYS HB3 H 5.834 -1.686 -3.279 1.00 . B A . 17 LYS HB3 1 1 7 5643 2 2 17 LYS HD2 H 4.409 -0.837 0.234 1.00 . B A . 17 LYS HD2 1 1 7 5644 2 2 17 LYS HD3 H 5.470 -2.251 0.198 1.00 . B A . 17 LYS HD3 1 1 7 5645 2 2 17 LYS HE2 H 7.368 -0.841 0.853 1.00 . B A . 17 LYS HE2 1 1 7 5646 2 2 17 LYS HE3 H 6.325 0.564 0.927 1.00 . B A . 17 LYS HE3 1 1 7 5647 2 2 17 LYS HG2 H 6.901 -1.016 -1.427 1.00 . B A . 17 LYS HG2 1 1 7 5648 2 2 17 LYS HG3 H 5.629 0.214 -1.554 1.00 . B A . 17 LYS HG3 1 1 7 5649 2 2 17 LYS HZ1 H 6.725 -0.311 3.087 1.00 . B A . 17 LYS HZ1 1 1 7 5650 2 2 17 LYS HZ2 H 6.198 -1.843 2.668 1.00 . B A . 17 LYS HZ2 1 1 7 5651 2 2 17 LYS HZ3 H 5.100 -0.567 2.771 1.00 . B A . 17 LYS HZ3 1 1 7 5652 2 2 17 LYS N N 3.213 -2.573 -3.516 1.00 . B A . 17 LYS N 1 1 7 5653 2 2 17 LYS NZ N 6.062 -0.831 2.476 1.00 . B A . 17 LYS NZ 1 1 7 5654 2 2 17 LYS O O 3.412 0.935 -3.369 1.00 . B A . 17 LYS O 1 1 7 5655 2 2 18 ARG C C 2.350 1.064 -6.210 1.00 . B A . 18 ARG C 1 1 7 5656 2 2 18 ARG CA C 3.791 0.618 -6.116 1.00 . B A . 18 ARG CA 1 1 7 5657 2 2 18 ARG CB C 4.212 0.150 -7.511 1.00 . B A . 18 ARG CB 1 1 7 5658 2 2 18 ARG CD C 6.015 -0.570 -9.082 1.00 . B A . 18 ARG CD 1 1 7 5659 2 2 18 ARG CG C 5.644 -0.283 -7.642 1.00 . B A . 18 ARG CG 1 1 7 5660 2 2 18 ARG CZ C 5.284 -2.043 -10.933 1.00 . B A . 18 ARG CZ 1 1 7 5661 2 2 18 ARG H H 4.215 -1.337 -5.345 1.00 . B A . 18 ARG H 1 1 7 5662 2 2 18 ARG HA H 4.405 1.457 -5.821 1.00 . B A . 18 ARG HA 1 1 7 5663 2 2 18 ARG HB2 H 3.588 -0.687 -7.786 1.00 . B A . 18 ARG HB2 1 1 7 5664 2 2 18 ARG HB3 H 4.029 0.954 -8.208 1.00 . B A . 18 ARG HB3 1 1 7 5665 2 2 18 ARG HD2 H 5.976 0.352 -9.643 1.00 . B A . 18 ARG HD2 1 1 7 5666 2 2 18 ARG HD3 H 7.023 -0.958 -9.107 1.00 . B A . 18 ARG HD3 1 1 7 5667 2 2 18 ARG HE H 4.327 -1.792 -9.182 1.00 . B A . 18 ARG HE 1 1 7 5668 2 2 18 ARG HG2 H 6.276 0.514 -7.283 1.00 . B A . 18 ARG HG2 1 1 7 5669 2 2 18 ARG HG3 H 5.806 -1.170 -7.048 1.00 . B A . 18 ARG HG3 1 1 7 5670 2 2 18 ARG HH11 H 7.106 -1.178 -11.261 1.00 . B A . 18 ARG HH11 1 1 7 5671 2 2 18 ARG HH12 H 6.525 -2.141 -12.541 1.00 . B A . 18 ARG HH12 1 1 7 5672 2 2 18 ARG HH21 H 3.535 -3.099 -10.945 1.00 . B A . 18 ARG HH21 1 1 7 5673 2 2 18 ARG HH22 H 4.452 -3.219 -12.377 1.00 . B A . 18 ARG HH22 1 1 7 5674 2 2 18 ARG N N 3.927 -0.432 -5.092 1.00 . B A . 18 ARG N 1 1 7 5675 2 2 18 ARG NE N 5.119 -1.539 -9.711 1.00 . B A . 18 ARG NE 1 1 7 5676 2 2 18 ARG NH1 N 6.378 -1.764 -11.623 1.00 . B A . 18 ARG NH1 1 1 7 5677 2 2 18 ARG NH2 N 4.368 -2.846 -11.449 1.00 . B A . 18 ARG NH2 1 1 7 5678 2 2 18 ARG O O 2.065 2.199 -6.548 1.00 . B A . 18 ARG O 1 1 7 5679 2 2 19 SER C C -0.377 1.350 -4.842 1.00 . B A . 19 SER C 1 1 7 5680 2 2 19 SER CA C 0.071 0.455 -5.993 1.00 . B A . 19 SER CA 1 1 7 5681 2 2 19 SER CB C -0.742 -0.832 -6.088 1.00 . B A . 19 SER CB 1 1 7 5682 2 2 19 SER H H 1.734 -0.689 -5.516 1.00 . B A . 19 SER H 1 1 7 5683 2 2 19 SER HA H -0.042 1.004 -6.915 1.00 . B A . 19 SER HA 1 1 7 5684 2 2 19 SER HB2 H -0.294 -1.429 -6.867 1.00 . B A . 19 SER HB2 1 1 7 5685 2 2 19 SER HB3 H -0.678 -1.392 -5.164 1.00 . B A . 19 SER HB3 1 1 7 5686 2 2 19 SER HG H -2.559 -1.409 -6.378 1.00 . B A . 19 SER HG 1 1 7 5687 2 2 19 SER N N 1.453 0.177 -5.880 1.00 . B A . 19 SER N 1 1 7 5688 2 2 19 SER O O -1.122 2.300 -5.050 1.00 . B A . 19 SER O 1 1 7 5689 2 2 19 SER OG O -2.096 -0.564 -6.423 1.00 . B A . 19 SER OG 1 1 7 5690 2 2 20 LEU C C 0.447 3.346 -2.781 1.00 . B A . 20 LEU C 1 1 7 5691 2 2 20 LEU CA C -0.237 2.028 -2.529 1.00 . B A . 20 LEU CA 1 1 7 5692 2 2 20 LEU CB C 0.068 1.559 -1.067 1.00 . B A . 20 LEU CB 1 1 7 5693 2 2 20 LEU CD1 C 0.868 -0.819 -1.076 1.00 . B A . 20 LEU CD1 1 1 7 5694 2 2 20 LEU CD2 C -0.400 0.018 0.845 1.00 . B A . 20 LEU CD2 1 1 7 5695 2 2 20 LEU CG C -0.225 0.108 -0.648 1.00 . B A . 20 LEU CG 1 1 7 5696 2 2 20 LEU H H 0.672 0.304 -3.497 1.00 . B A . 20 LEU H 1 1 7 5697 2 2 20 LEU HA H -1.281 2.265 -2.642 1.00 . B A . 20 LEU HA 1 1 7 5698 2 2 20 LEU HB2 H 1.030 1.878 -0.695 1.00 . B A . 20 LEU HB2 1 1 7 5699 2 2 20 LEU HB3 H -0.631 2.150 -0.500 1.00 . B A . 20 LEU HB3 1 1 7 5700 2 2 20 LEU HD11 H 0.621 -1.826 -0.774 1.00 . B A . 20 LEU HD11 1 1 7 5701 2 2 20 LEU HD12 H 1.787 -0.517 -0.596 1.00 . B A . 20 LEU HD12 1 1 7 5702 2 2 20 LEU HD13 H 0.985 -0.782 -2.149 1.00 . B A . 20 LEU HD13 1 1 7 5703 2 2 20 LEU HD21 H -0.566 -1.015 1.116 1.00 . B A . 20 LEU HD21 1 1 7 5704 2 2 20 LEU HD22 H -1.242 0.618 1.152 1.00 . B A . 20 LEU HD22 1 1 7 5705 2 2 20 LEU HD23 H 0.503 0.371 1.319 1.00 . B A . 20 LEU HD23 1 1 7 5706 2 2 20 LEU HG H -1.145 -0.218 -1.110 1.00 . B A . 20 LEU HG 1 1 7 5707 2 2 20 LEU N N 0.118 1.105 -3.621 1.00 . B A . 20 LEU N 1 1 7 5708 2 2 20 LEU O O -0.078 4.401 -2.444 1.00 . B A . 20 LEU O 1 1 7 5709 2 2 21 ALA C C 1.675 5.310 -4.823 1.00 . B A . 21 ALA C 1 1 7 5710 2 2 21 ALA CA C 2.364 4.448 -3.774 1.00 . B A . 21 ALA CA 1 1 7 5711 2 2 21 ALA CB C 3.766 4.071 -4.225 1.00 . B A . 21 ALA CB 1 1 7 5712 2 2 21 ALA H H 1.912 2.364 -3.644 1.00 . B A . 21 ALA H 1 1 7 5713 2 2 21 ALA HA H 2.443 5.049 -2.884 1.00 . B A . 21 ALA HA 1 1 7 5714 2 2 21 ALA HB1 H 4.357 4.966 -4.354 1.00 . B A . 21 ALA HB1 1 1 7 5715 2 2 21 ALA HB2 H 3.708 3.544 -5.166 1.00 . B A . 21 ALA HB2 1 1 7 5716 2 2 21 ALA HB3 H 4.229 3.436 -3.485 1.00 . B A . 21 ALA HB3 1 1 7 5717 2 2 21 ALA N N 1.587 3.268 -3.427 1.00 . B A . 21 ALA N 1 1 7 5718 2 2 21 ALA O O 1.733 6.536 -4.753 1.00 . B A . 21 ALA O 1 1 7 5719 2 2 22 ARG C C -0.939 6.078 -6.352 1.00 . B A . 22 ARG C 1 1 7 5720 2 2 22 ARG CA C 0.345 5.428 -6.839 1.00 . B A . 22 ARG CA 1 1 7 5721 2 2 22 ARG CB C 0.076 4.549 -8.079 1.00 . B A . 22 ARG CB 1 1 7 5722 2 2 22 ARG CD C -1.091 2.573 -9.097 1.00 . B A . 22 ARG CD 1 1 7 5723 2 2 22 ARG CG C -0.941 3.446 -7.868 1.00 . B A . 22 ARG CG 1 1 7 5724 2 2 22 ARG CZ C -2.887 0.994 -9.834 1.00 . B A . 22 ARG CZ 1 1 7 5725 2 2 22 ARG H H 0.955 3.700 -5.741 1.00 . B A . 22 ARG H 1 1 7 5726 2 2 22 ARG HA H 1.027 6.218 -7.114 1.00 . B A . 22 ARG HA 1 1 7 5727 2 2 22 ARG HB2 H -0.281 5.180 -8.880 1.00 . B A . 22 ARG HB2 1 1 7 5728 2 2 22 ARG HB3 H 1.008 4.095 -8.385 1.00 . B A . 22 ARG HB3 1 1 7 5729 2 2 22 ARG HD2 H -1.423 3.186 -9.923 1.00 . B A . 22 ARG HD2 1 1 7 5730 2 2 22 ARG HD3 H -0.130 2.144 -9.334 1.00 . B A . 22 ARG HD3 1 1 7 5731 2 2 22 ARG HE H -2.070 1.090 -7.984 1.00 . B A . 22 ARG HE 1 1 7 5732 2 2 22 ARG HG2 H -0.637 2.847 -7.025 1.00 . B A . 22 ARG HG2 1 1 7 5733 2 2 22 ARG HG3 H -1.894 3.903 -7.644 1.00 . B A . 22 ARG HG3 1 1 7 5734 2 2 22 ARG HH11 H -2.250 2.225 -11.350 1.00 . B A . 22 ARG HH11 1 1 7 5735 2 2 22 ARG HH12 H -3.486 1.141 -11.786 1.00 . B A . 22 ARG HH12 1 1 7 5736 2 2 22 ARG HH21 H -3.744 -0.414 -8.626 1.00 . B A . 22 ARG HH21 1 1 7 5737 2 2 22 ARG HH22 H -4.337 -0.375 -10.229 1.00 . B A . 22 ARG HH22 1 1 7 5738 2 2 22 ARG N N 0.995 4.681 -5.765 1.00 . B A . 22 ARG N 1 1 7 5739 2 2 22 ARG NE N -2.058 1.481 -8.889 1.00 . B A . 22 ARG NE 1 1 7 5740 2 2 22 ARG NH1 N -2.871 1.487 -11.072 1.00 . B A . 22 ARG NH1 1 1 7 5741 2 2 22 ARG NH2 N -3.712 0.000 -9.540 1.00 . B A . 22 ARG NH2 1 1 7 5742 2 2 22 ARG O O -1.416 7.056 -6.931 1.00 . B A . 22 ARG O 1 1 7 5743 2 2 23 PHE C C -2.433 7.068 -3.648 1.00 . B A . 23 PHE C 1 1 7 5744 2 2 23 PHE CA C -2.714 6.093 -4.751 1.00 . B A . 23 PHE CA 1 1 7 5745 2 2 23 PHE CB C -3.687 5.003 -4.310 1.00 . B A . 23 PHE CB 1 1 7 5746 2 2 23 PHE CD1 C -5.134 4.873 -6.359 1.00 . B A . 23 PHE CD1 1 1 7 5747 2 2 23 PHE CD2 C -4.029 2.897 -5.641 1.00 . B A . 23 PHE CD2 1 1 7 5748 2 2 23 PHE CE1 C -5.696 4.179 -7.411 1.00 . B A . 23 PHE CE1 1 1 7 5749 2 2 23 PHE CE2 C -4.586 2.197 -6.688 1.00 . B A . 23 PHE CE2 1 1 7 5750 2 2 23 PHE CG C -4.293 4.239 -5.461 1.00 . B A . 23 PHE CG 1 1 7 5751 2 2 23 PHE CZ C -5.421 2.840 -7.574 1.00 . B A . 23 PHE CZ 1 1 7 5752 2 2 23 PHE H H -1.030 4.795 -4.858 1.00 . B A . 23 PHE H 1 1 7 5753 2 2 23 PHE HA H -3.166 6.655 -5.550 1.00 . B A . 23 PHE HA 1 1 7 5754 2 2 23 PHE HB2 H -3.151 4.300 -3.689 1.00 . B A . 23 PHE HB2 1 1 7 5755 2 2 23 PHE HB3 H -4.476 5.454 -3.732 1.00 . B A . 23 PHE HB3 1 1 7 5756 2 2 23 PHE HD1 H -5.350 5.924 -6.233 1.00 . B A . 23 PHE HD1 1 1 7 5757 2 2 23 PHE HD2 H -3.369 2.390 -4.954 1.00 . B A . 23 PHE HD2 1 1 7 5758 2 2 23 PHE HE1 H -6.348 4.684 -8.107 1.00 . B A . 23 PHE HE1 1 1 7 5759 2 2 23 PHE HE2 H -4.368 1.147 -6.812 1.00 . B A . 23 PHE HE2 1 1 7 5760 2 2 23 PHE HZ H -5.857 2.292 -8.395 1.00 . B A . 23 PHE HZ 1 1 7 5761 2 2 23 PHE N N -1.490 5.549 -5.287 1.00 . B A . 23 PHE N 1 1 7 5762 2 2 23 PHE O O -3.016 8.145 -3.606 1.00 . B A . 23 PHE O 1 1 7 5763 2 2 24 CYS C C -2.167 7.695 -0.620 1.00 . B A . 24 CYS C 1 1 7 5764 2 2 24 CYS CA C -1.060 7.479 -1.657 1.00 . B A . 24 CYS CA 1 1 7 5765 2 2 24 CYS CB C -0.453 8.823 -2.140 1.00 . B A . 24 CYS CB 1 1 7 5766 2 2 24 CYS H H -1.190 5.761 -2.896 1.00 . B A . 24 CYS H 1 1 7 5767 2 2 24 CYS HA H -0.284 6.899 -1.179 1.00 . B A . 24 CYS HA 1 1 7 5768 2 2 24 CYS HB2 H 0.282 8.621 -2.905 1.00 . B A . 24 CYS HB2 1 1 7 5769 2 2 24 CYS HB3 H -1.242 9.427 -2.563 1.00 . B A . 24 CYS HB3 1 1 7 5770 2 2 24 CYS N N -1.541 6.672 -2.780 1.00 . B A . 24 CYS N 1 1 7 5771 2 2 24 CYS O O -2.915 8.672 -0.675 1.00 . B A . 24 CYS O 1 1 7 5772 2 2 24 CYS SG S 0.366 9.802 -0.832 1.00 . B A . 24 CYS SG 1 1 7 5773 2 2 25 NH2 HN1 H -1.651 6.019 0.276 1.00 . B A . 25 NH2 HN1 1 1 7 5774 2 2 25 NH2 HN2 H -2.998 6.852 0.970 1.00 . B A . 25 NH2 HN2 1 1 7 5775 2 2 25 NH2 N N -2.287 6.763 0.302 1.00 . B A . 25 NH2 N 1 1 8 5776 1 1 1 ASP C C 12.666 0.687 -3.814 1.00 . A B . 1 ASP C 1 1 8 5777 1 1 1 ASP CA C 12.956 2.164 -3.612 1.00 . A B . 1 ASP CA 1 1 8 5778 1 1 1 ASP CB C 13.092 2.817 -4.992 1.00 . A B . 1 ASP CB 1 1 8 5779 1 1 1 ASP CG C 13.093 4.317 -4.979 1.00 . A B . 1 ASP CG 1 1 8 5780 1 1 1 ASP H1 H 14.287 3.416 -2.608 1.00 . A B . 1 ASP H1 1 1 8 5781 1 1 1 ASP H2 H 15.015 2.060 -3.239 1.00 . A B . 1 ASP H2 1 1 8 5782 1 1 1 ASP H3 H 14.089 1.929 -1.838 1.00 . A B . 1 ASP H3 1 1 8 5783 1 1 1 ASP HA H 12.097 2.592 -3.112 1.00 . A B . 1 ASP HA 1 1 8 5784 1 1 1 ASP HB2 H 14.010 2.487 -5.453 1.00 . A B . 1 ASP HB2 1 1 8 5785 1 1 1 ASP HB3 H 12.258 2.479 -5.588 1.00 . A B . 1 ASP HB3 1 1 8 5786 1 1 1 ASP N N 14.153 2.397 -2.764 1.00 . A B . 1 ASP N 1 1 8 5787 1 1 1 ASP O O 11.586 0.341 -4.225 1.00 . A B . 1 ASP O 1 1 8 5788 1 1 1 ASP OD1 O 14.167 4.915 -4.764 1.00 . A B . 1 ASP OD1 1 1 8 5789 1 1 1 ASP OD2 O 12.030 4.933 -5.220 1.00 . A B . 1 ASP OD2 1 1 8 5790 1 1 2 SER C C 12.328 -2.202 -2.743 1.00 . A B . 2 SER C 1 1 8 5791 1 1 2 SER CA C 13.411 -1.647 -3.671 1.00 . A B . 2 SER CA 1 1 8 5792 1 1 2 SER CB C 14.734 -2.383 -3.501 1.00 . A B . 2 SER CB 1 1 8 5793 1 1 2 SER H H 14.475 0.082 -3.127 1.00 . A B . 2 SER H 1 1 8 5794 1 1 2 SER HA H 13.054 -1.770 -4.675 1.00 . A B . 2 SER HA 1 1 8 5795 1 1 2 SER HB2 H 15.067 -2.291 -2.478 1.00 . A B . 2 SER HB2 1 1 8 5796 1 1 2 SER HB3 H 14.597 -3.426 -3.746 1.00 . A B . 2 SER HB3 1 1 8 5797 1 1 2 SER HG H 15.722 -2.348 -5.181 1.00 . A B . 2 SER HG 1 1 8 5798 1 1 2 SER N N 13.604 -0.196 -3.482 1.00 . A B . 2 SER N 1 1 8 5799 1 1 2 SER O O 11.822 -3.308 -2.908 1.00 . A B . 2 SER O 1 1 8 5800 1 1 2 SER OG O 15.723 -1.827 -4.367 1.00 . A B . 2 SER OG 1 1 8 5801 1 1 3 TRP C C 9.549 -1.372 -1.504 1.00 . A B . 3 TRP C 1 1 8 5802 1 1 3 TRP CA C 10.912 -1.670 -0.871 1.00 . A B . 3 TRP CA 1 1 8 5803 1 1 3 TRP CB C 11.103 -0.821 0.411 1.00 . A B . 3 TRP CB 1 1 8 5804 1 1 3 TRP CD1 C 12.408 1.403 0.256 1.00 . A B . 3 TRP CD1 1 1 8 5805 1 1 3 TRP CD2 C 10.227 1.617 -0.193 1.00 . A B . 3 TRP CD2 1 1 8 5806 1 1 3 TRP CE2 C 10.827 2.874 -0.316 1.00 . A B . 3 TRP CE2 1 1 8 5807 1 1 3 TRP CE3 C 8.860 1.504 -0.428 1.00 . A B . 3 TRP CE3 1 1 8 5808 1 1 3 TRP CG C 11.258 0.677 0.172 1.00 . A B . 3 TRP CG 1 1 8 5809 1 1 3 TRP CH2 C 8.763 3.858 -0.898 1.00 . A B . 3 TRP CH2 1 1 8 5810 1 1 3 TRP CZ2 C 10.103 4.011 -0.667 1.00 . A B . 3 TRP CZ2 1 1 8 5811 1 1 3 TRP CZ3 C 8.146 2.607 -0.778 1.00 . A B . 3 TRP CZ3 1 1 8 5812 1 1 3 TRP H H 12.483 -0.564 -1.806 1.00 . A B . 3 TRP H 1 1 8 5813 1 1 3 TRP HA H 10.959 -2.713 -0.605 1.00 . A B . 3 TRP HA 1 1 8 5814 1 1 3 TRP HB2 H 10.246 -0.965 1.051 1.00 . A B . 3 TRP HB2 1 1 8 5815 1 1 3 TRP HB3 H 11.985 -1.169 0.930 1.00 . A B . 3 TRP HB3 1 1 8 5816 1 1 3 TRP HD1 H 13.369 0.986 0.515 1.00 . A B . 3 TRP HD1 1 1 8 5817 1 1 3 TRP HE1 H 12.822 3.450 -0.052 1.00 . A B . 3 TRP HE1 1 1 8 5818 1 1 3 TRP HE3 H 8.363 0.548 -0.341 1.00 . A B . 3 TRP HE3 1 1 8 5819 1 1 3 TRP HH2 H 8.163 4.710 -1.178 1.00 . A B . 3 TRP HH2 1 1 8 5820 1 1 3 TRP HZ2 H 10.570 4.980 -0.762 1.00 . A B . 3 TRP HZ2 1 1 8 5821 1 1 3 TRP HZ3 H 7.093 2.472 -0.977 1.00 . A B . 3 TRP HZ3 1 1 8 5822 1 1 3 TRP N N 11.970 -1.394 -1.811 1.00 . A B . 3 TRP N 1 1 8 5823 1 1 3 TRP NE1 N 12.161 2.719 -0.040 1.00 . A B . 3 TRP NE1 1 1 8 5824 1 1 3 TRP O O 8.506 -1.666 -0.921 1.00 . A B . 3 TRP O 1 1 8 5825 1 1 4 MET C C 7.910 -1.352 -4.353 1.00 . A B . 4 MET C 1 1 8 5826 1 1 4 MET CA C 8.370 -0.307 -3.354 1.00 . A B . 4 MET CA 1 1 8 5827 1 1 4 MET CB C 8.600 1.054 -4.011 1.00 . A B . 4 MET CB 1 1 8 5828 1 1 4 MET CE C 9.048 2.968 -6.449 1.00 . A B . 4 MET CE 1 1 8 5829 1 1 4 MET CG C 7.376 1.669 -4.642 1.00 . A B . 4 MET CG 1 1 8 5830 1 1 4 MET H H 10.436 -0.572 -3.121 1.00 . A B . 4 MET H 1 1 8 5831 1 1 4 MET HA H 7.609 -0.202 -2.595 1.00 . A B . 4 MET HA 1 1 8 5832 1 1 4 MET HB2 H 8.973 1.740 -3.264 1.00 . A B . 4 MET HB2 1 1 8 5833 1 1 4 MET HB3 H 9.353 0.931 -4.775 1.00 . A B . 4 MET HB3 1 1 8 5834 1 1 4 MET HE1 H 9.301 3.873 -6.978 1.00 . A B . 4 MET HE1 1 1 8 5835 1 1 4 MET HE2 H 8.740 2.215 -7.158 1.00 . A B . 4 MET HE2 1 1 8 5836 1 1 4 MET HE3 H 9.910 2.624 -5.898 1.00 . A B . 4 MET HE3 1 1 8 5837 1 1 4 MET HG2 H 7.045 1.019 -5.438 1.00 . A B . 4 MET HG2 1 1 8 5838 1 1 4 MET HG3 H 6.599 1.741 -3.895 1.00 . A B . 4 MET HG3 1 1 8 5839 1 1 4 MET N N 9.575 -0.745 -2.679 1.00 . A B . 4 MET N 1 1 8 5840 1 1 4 MET O O 6.710 -1.495 -4.613 1.00 . A B . 4 MET O 1 1 8 5841 1 1 4 MET SD S 7.694 3.319 -5.316 1.00 . A B . 4 MET SD 1 1 8 5842 1 1 5 GLU C C 8.289 -4.346 -4.739 1.00 . A B . 5 GLU C 1 1 8 5843 1 1 5 GLU CA C 8.503 -3.222 -5.721 1.00 . A B . 5 GLU CA 1 1 8 5844 1 1 5 GLU CB C 9.592 -3.609 -6.742 1.00 . A B . 5 GLU CB 1 1 8 5845 1 1 5 GLU CD C 10.651 -1.358 -7.205 1.00 . A B . 5 GLU CD 1 1 8 5846 1 1 5 GLU CG C 9.946 -2.552 -7.788 1.00 . A B . 5 GLU CG 1 1 8 5847 1 1 5 GLU H H 9.792 -1.830 -4.808 1.00 . A B . 5 GLU H 1 1 8 5848 1 1 5 GLU HA H 7.565 -3.012 -6.216 1.00 . A B . 5 GLU HA 1 1 8 5849 1 1 5 GLU HB2 H 10.494 -3.832 -6.195 1.00 . A B . 5 GLU HB2 1 1 8 5850 1 1 5 GLU HB3 H 9.276 -4.506 -7.255 1.00 . A B . 5 GLU HB3 1 1 8 5851 1 1 5 GLU HG2 H 10.591 -2.995 -8.532 1.00 . A B . 5 GLU HG2 1 1 8 5852 1 1 5 GLU HG3 H 9.035 -2.219 -8.261 1.00 . A B . 5 GLU HG3 1 1 8 5853 1 1 5 GLU N N 8.849 -2.073 -4.919 1.00 . A B . 5 GLU N 1 1 8 5854 1 1 5 GLU O O 9.228 -5.060 -4.361 1.00 . A B . 5 GLU O 1 1 8 5855 1 1 5 GLU OE1 O 11.772 -1.526 -6.674 1.00 . A B . 5 GLU OE1 1 1 8 5856 1 1 5 GLU OE2 O 10.113 -0.234 -7.288 1.00 . A B . 5 GLU OE2 1 1 8 5857 1 1 6 GLU C C 5.276 -5.536 -3.234 1.00 . A B . 6 GLU C 1 1 8 5858 1 1 6 GLU CA C 6.764 -5.318 -3.194 1.00 . A B . 6 GLU CA 1 1 8 5859 1 1 6 GLU CB C 7.138 -4.614 -1.884 1.00 . A B . 6 GLU CB 1 1 8 5860 1 1 6 GLU CD C 7.738 -4.712 0.545 1.00 . A B . 6 GLU CD 1 1 8 5861 1 1 6 GLU CG C 7.189 -5.477 -0.638 1.00 . A B . 6 GLU CG 1 1 8 5862 1 1 6 GLU H H 6.366 -3.894 -4.643 1.00 . A B . 6 GLU H 1 1 8 5863 1 1 6 GLU HA H 7.313 -6.244 -3.273 1.00 . A B . 6 GLU HA 1 1 8 5864 1 1 6 GLU HB2 H 8.038 -4.027 -1.986 1.00 . A B . 6 GLU HB2 1 1 8 5865 1 1 6 GLU HB3 H 6.327 -3.919 -1.735 1.00 . A B . 6 GLU HB3 1 1 8 5866 1 1 6 GLU HG2 H 6.191 -5.812 -0.402 1.00 . A B . 6 GLU HG2 1 1 8 5867 1 1 6 GLU HG3 H 7.823 -6.329 -0.825 1.00 . A B . 6 GLU HG3 1 1 8 5868 1 1 6 GLU N N 7.088 -4.436 -4.259 1.00 . A B . 6 GLU N 1 1 8 5869 1 1 6 GLU O O 4.554 -4.755 -3.860 1.00 . A B . 6 GLU O 1 1 8 5870 1 1 6 GLU OE1 O 6.958 -4.075 1.292 1.00 . A B . 6 GLU OE1 1 1 8 5871 1 1 6 GLU OE2 O 8.978 -4.747 0.751 1.00 . A B . 6 GLU OE2 1 1 8 5872 1 1 7 VAL C C 3.176 -7.333 -1.055 1.00 . A B . 7 VAL C 1 1 8 5873 1 1 7 VAL CA C 3.442 -6.871 -2.471 1.00 . A B . 7 VAL CA 1 1 8 5874 1 1 7 VAL CB C 2.976 -7.934 -3.540 1.00 . A B . 7 VAL CB 1 1 8 5875 1 1 7 VAL CG1 C 3.798 -9.205 -3.480 1.00 . A B . 7 VAL CG1 1 1 8 5876 1 1 7 VAL CG2 C 1.486 -8.258 -3.403 1.00 . A B . 7 VAL CG2 1 1 8 5877 1 1 7 VAL H H 5.488 -7.092 -2.092 1.00 . A B . 7 VAL H 1 1 8 5878 1 1 7 VAL HA H 2.895 -5.952 -2.614 1.00 . A B . 7 VAL HA 1 1 8 5879 1 1 7 VAL HB H 3.133 -7.498 -4.517 1.00 . A B . 7 VAL HB 1 1 8 5880 1 1 7 VAL HG11 H 3.444 -9.902 -4.225 1.00 . A B . 7 VAL HG11 1 1 8 5881 1 1 7 VAL HG12 H 3.701 -9.647 -2.499 1.00 . A B . 7 VAL HG12 1 1 8 5882 1 1 7 VAL HG13 H 4.835 -8.969 -3.670 1.00 . A B . 7 VAL HG13 1 1 8 5883 1 1 7 VAL HG21 H 0.905 -7.359 -3.542 1.00 . A B . 7 VAL HG21 1 1 8 5884 1 1 7 VAL HG22 H 1.293 -8.658 -2.417 1.00 . A B . 7 VAL HG22 1 1 8 5885 1 1 7 VAL HG23 H 1.201 -8.988 -4.145 1.00 . A B . 7 VAL HG23 1 1 8 5886 1 1 7 VAL N N 4.837 -6.545 -2.577 1.00 . A B . 7 VAL N 1 1 8 5887 1 1 7 VAL O O 3.925 -8.160 -0.510 1.00 . A B . 7 VAL O 1 1 8 5888 1 1 8 ILE C C 0.371 -7.305 1.035 1.00 . A B . 8 ILE C 1 1 8 5889 1 1 8 ILE CA C 1.852 -7.055 0.931 1.00 . A B . 8 ILE CA 1 1 8 5890 1 1 8 ILE CB C 2.257 -5.929 1.963 1.00 . A B . 8 ILE CB 1 1 8 5891 1 1 8 ILE CD1 C 1.748 -3.819 0.504 1.00 . A B . 8 ILE CD1 1 1 8 5892 1 1 8 ILE CG1 C 1.470 -4.589 1.780 1.00 . A B . 8 ILE CG1 1 1 8 5893 1 1 8 ILE CG2 C 3.758 -5.678 1.955 1.00 . A B . 8 ILE CG2 1 1 8 5894 1 1 8 ILE H H 1.622 -6.111 -0.928 1.00 . A B . 8 ILE H 1 1 8 5895 1 1 8 ILE HA H 2.379 -7.962 1.181 1.00 . A B . 8 ILE HA 1 1 8 5896 1 1 8 ILE HB H 2.031 -6.332 2.940 1.00 . A B . 8 ILE HB 1 1 8 5897 1 1 8 ILE HD11 H 2.803 -3.599 0.436 1.00 . A B . 8 ILE HD11 1 1 8 5898 1 1 8 ILE HD12 H 1.187 -2.897 0.517 1.00 . A B . 8 ILE HD12 1 1 8 5899 1 1 8 ILE HD13 H 1.445 -4.408 -0.349 1.00 . A B . 8 ILE HD13 1 1 8 5900 1 1 8 ILE HG12 H 0.412 -4.805 1.790 1.00 . A B . 8 ILE HG12 1 1 8 5901 1 1 8 ILE HG13 H 1.696 -3.942 2.616 1.00 . A B . 8 ILE HG13 1 1 8 5902 1 1 8 ILE HG21 H 4.278 -6.582 2.231 1.00 . A B . 8 ILE HG21 1 1 8 5903 1 1 8 ILE HG22 H 3.990 -4.896 2.663 1.00 . A B . 8 ILE HG22 1 1 8 5904 1 1 8 ILE HG23 H 4.064 -5.370 0.966 1.00 . A B . 8 ILE HG23 1 1 8 5905 1 1 8 ILE N N 2.188 -6.749 -0.438 1.00 . A B . 8 ILE N 1 1 8 5906 1 1 8 ILE O O -0.376 -6.991 0.107 1.00 . A B . 8 ILE O 1 1 8 5907 1 1 9 LYS C C -1.833 -7.521 3.714 1.00 . A B . 9 LYS C 1 1 8 5908 1 1 9 LYS CA C -1.451 -8.108 2.358 1.00 . A B . 9 LYS CA 1 1 8 5909 1 1 9 LYS CB C -1.790 -9.608 2.244 1.00 . A B . 9 LYS CB 1 1 8 5910 1 1 9 LYS CD C -3.557 -11.396 1.995 1.00 . A B . 9 LYS CD 1 1 8 5911 1 1 9 LYS CE C -2.941 -12.357 3.000 1.00 . A B . 9 LYS CE 1 1 8 5912 1 1 9 LYS CG C -3.278 -9.937 2.332 1.00 . A B . 9 LYS CG 1 1 8 5913 1 1 9 LYS H H 0.597 -8.171 2.805 1.00 . A B . 9 LYS H 1 1 8 5914 1 1 9 LYS HA H -1.988 -7.561 1.597 1.00 . A B . 9 LYS HA 1 1 8 5915 1 1 9 LYS HB2 H -1.422 -9.975 1.297 1.00 . A B . 9 LYS HB2 1 1 8 5916 1 1 9 LYS HB3 H -1.278 -10.128 3.040 1.00 . A B . 9 LYS HB3 1 1 8 5917 1 1 9 LYS HD2 H -4.626 -11.553 1.982 1.00 . A B . 9 LYS HD2 1 1 8 5918 1 1 9 LYS HD3 H -3.155 -11.608 1.015 1.00 . A B . 9 LYS HD3 1 1 8 5919 1 1 9 LYS HE2 H -1.886 -12.148 3.090 1.00 . A B . 9 LYS HE2 1 1 8 5920 1 1 9 LYS HE3 H -3.418 -12.209 3.959 1.00 . A B . 9 LYS HE3 1 1 8 5921 1 1 9 LYS HG2 H -3.619 -9.738 3.337 1.00 . A B . 9 LYS HG2 1 1 8 5922 1 1 9 LYS HG3 H -3.815 -9.304 1.640 1.00 . A B . 9 LYS HG3 1 1 8 5923 1 1 9 LYS HZ1 H -4.106 -13.997 2.369 1.00 . A B . 9 LYS HZ1 1 1 8 5924 1 1 9 LYS HZ2 H -2.781 -14.412 3.327 1.00 . A B . 9 LYS HZ2 1 1 8 5925 1 1 9 LYS HZ3 H -2.556 -13.966 1.733 1.00 . A B . 9 LYS HZ3 1 1 8 5926 1 1 9 LYS N N -0.050 -7.882 2.126 1.00 . A B . 9 LYS N 1 1 8 5927 1 1 9 LYS NZ N -3.116 -13.764 2.586 1.00 . A B . 9 LYS NZ 1 1 8 5928 1 1 9 LYS O O -1.668 -8.159 4.766 1.00 . A B . 9 LYS O 1 1 8 5929 1 1 10 LEU C C -4.028 -5.068 4.762 1.00 . A B . 10 LEU C 1 1 8 5930 1 1 10 LEU CA C -2.618 -5.519 4.874 1.00 . A B . 10 LEU CA 1 1 8 5931 1 1 10 LEU CB C -1.705 -4.302 5.129 1.00 . A B . 10 LEU CB 1 1 8 5932 1 1 10 LEU CD1 C 0.494 -5.548 5.239 1.00 . A B . 10 LEU CD1 1 1 8 5933 1 1 10 LEU CD2 C 0.350 -3.248 6.105 1.00 . A B . 10 LEU CD2 1 1 8 5934 1 1 10 LEU CG C -0.404 -4.540 5.910 1.00 . A B . 10 LEU CG 1 1 8 5935 1 1 10 LEU H H -2.324 -5.830 2.814 1.00 . A B . 10 LEU H 1 1 8 5936 1 1 10 LEU HA H -2.571 -6.168 5.735 1.00 . A B . 10 LEU HA 1 1 8 5937 1 1 10 LEU HB2 H -1.464 -3.863 4.174 1.00 . A B . 10 LEU HB2 1 1 8 5938 1 1 10 LEU HB3 H -2.290 -3.576 5.675 1.00 . A B . 10 LEU HB3 1 1 8 5939 1 1 10 LEU HD11 H 0.735 -5.196 4.247 1.00 . A B . 10 LEU HD11 1 1 8 5940 1 1 10 LEU HD12 H -0.018 -6.496 5.178 1.00 . A B . 10 LEU HD12 1 1 8 5941 1 1 10 LEU HD13 H 1.401 -5.652 5.815 1.00 . A B . 10 LEU HD13 1 1 8 5942 1 1 10 LEU HD21 H 0.623 -2.848 5.141 1.00 . A B . 10 LEU HD21 1 1 8 5943 1 1 10 LEU HD22 H 1.245 -3.436 6.680 1.00 . A B . 10 LEU HD22 1 1 8 5944 1 1 10 LEU HD23 H -0.273 -2.536 6.624 1.00 . A B . 10 LEU HD23 1 1 8 5945 1 1 10 LEU HG H -0.704 -4.896 6.885 1.00 . A B . 10 LEU HG 1 1 8 5946 1 1 10 LEU N N -2.234 -6.274 3.685 1.00 . A B . 10 LEU N 1 1 8 5947 1 1 10 LEU O O -4.664 -5.248 3.726 1.00 . A B . 10 LEU O 1 1 8 5948 1 1 11 CYS C C -6.019 -2.837 6.762 1.00 . A B . 11 CYS C 1 1 8 5949 1 1 11 CYS CA C -5.892 -4.032 5.835 1.00 . A B . 11 CYS CA 1 1 8 5950 1 1 11 CYS CB C -6.760 -5.133 6.416 1.00 . A B . 11 CYS CB 1 1 8 5951 1 1 11 CYS H H -3.927 -4.294 6.574 1.00 . A B . 11 CYS H 1 1 8 5952 1 1 11 CYS HA H -6.230 -3.802 4.837 1.00 . A B . 11 CYS HA 1 1 8 5953 1 1 11 CYS HB2 H -6.316 -5.203 7.389 1.00 . A B . 11 CYS HB2 1 1 8 5954 1 1 11 CYS HB3 H -7.788 -4.811 6.491 1.00 . A B . 11 CYS HB3 1 1 8 5955 1 1 11 CYS N N -4.514 -4.465 5.802 1.00 . A B . 11 CYS N 1 1 8 5956 1 1 11 CYS O O -5.096 -2.559 7.548 1.00 . A B . 11 CYS O 1 1 8 5957 1 1 11 CYS SG S -6.659 -6.799 5.643 1.00 . A B . 11 CYS SG 1 1 8 5958 1 1 12 GLY C C -6.454 -0.058 7.860 1.00 . A B . 12 GLY C 1 1 8 5959 1 1 12 GLY CA C -7.531 -1.040 7.512 1.00 . A B . 12 GLY CA 1 1 8 5960 1 1 12 GLY H H -7.711 -2.356 5.868 1.00 . A B . 12 GLY H 1 1 8 5961 1 1 12 GLY HA2 H -8.349 -0.485 7.083 1.00 . A B . 12 GLY HA2 1 1 8 5962 1 1 12 GLY HA3 H -7.887 -1.484 8.430 1.00 . A B . 12 GLY HA3 1 1 8 5963 1 1 12 GLY N N -7.132 -2.128 6.625 1.00 . A B . 12 GLY N 1 1 8 5964 1 1 12 GLY O O -5.828 0.550 6.991 1.00 . A B . 12 GLY O 1 1 8 5965 1 1 13 ARG C C -3.860 0.621 9.252 1.00 . A B . 13 ARG C 1 1 8 5966 1 1 13 ARG CA C -5.261 0.969 9.710 1.00 . A B . 13 ARG CA 1 1 8 5967 1 1 13 ARG CB C -5.327 0.920 11.237 1.00 . A B . 13 ARG CB 1 1 8 5968 1 1 13 ARG CD C -4.365 1.607 13.444 1.00 . A B . 13 ARG CD 1 1 8 5969 1 1 13 ARG CG C -4.357 1.853 11.948 1.00 . A B . 13 ARG CG 1 1 8 5970 1 1 13 ARG CZ C -3.888 -0.321 14.960 1.00 . A B . 13 ARG CZ 1 1 8 5971 1 1 13 ARG H H -6.754 -0.529 9.727 1.00 . A B . 13 ARG H 1 1 8 5972 1 1 13 ARG HA H -5.496 1.973 9.386 1.00 . A B . 13 ARG HA 1 1 8 5973 1 1 13 ARG HB2 H -6.327 1.187 11.549 1.00 . A B . 13 ARG HB2 1 1 8 5974 1 1 13 ARG HB3 H -5.120 -0.090 11.559 1.00 . A B . 13 ARG HB3 1 1 8 5975 1 1 13 ARG HD2 H -3.682 2.295 13.922 1.00 . A B . 13 ARG HD2 1 1 8 5976 1 1 13 ARG HD3 H -5.365 1.770 13.816 1.00 . A B . 13 ARG HD3 1 1 8 5977 1 1 13 ARG HE H -3.726 -0.339 12.977 1.00 . A B . 13 ARG HE 1 1 8 5978 1 1 13 ARG HG2 H -3.361 1.681 11.568 1.00 . A B . 13 ARG HG2 1 1 8 5979 1 1 13 ARG HG3 H -4.650 2.874 11.754 1.00 . A B . 13 ARG HG3 1 1 8 5980 1 1 13 ARG HH11 H -4.415 1.353 16.006 1.00 . A B . 13 ARG HH11 1 1 8 5981 1 1 13 ARG HH12 H -4.101 -0.016 16.971 1.00 . A B . 13 ARG HH12 1 1 8 5982 1 1 13 ARG HH21 H -3.327 -2.103 14.211 1.00 . A B . 13 ARG HH21 1 1 8 5983 1 1 13 ARG HH22 H -3.443 -2.086 15.920 1.00 . A B . 13 ARG HH22 1 1 8 5984 1 1 13 ARG N N -6.229 0.056 9.139 1.00 . A B . 13 ARG N 1 1 8 5985 1 1 13 ARG NE N -3.961 0.232 13.755 1.00 . A B . 13 ARG NE 1 1 8 5986 1 1 13 ARG NH1 N -4.153 0.386 16.053 1.00 . A B . 13 ARG NH1 1 1 8 5987 1 1 13 ARG NH2 N -3.531 -1.591 15.053 1.00 . A B . 13 ARG NH2 1 1 8 5988 1 1 13 ARG O O -3.095 1.503 8.909 1.00 . A B . 13 ARG O 1 1 8 5989 1 1 14 GLU C C -1.925 -0.775 7.395 1.00 . A B . 14 GLU C 1 1 8 5990 1 1 14 GLU CA C -2.212 -1.105 8.829 1.00 . A B . 14 GLU CA 1 1 8 5991 1 1 14 GLU CB C -2.036 -2.612 9.081 1.00 . A B . 14 GLU CB 1 1 8 5992 1 1 14 GLU CD C -3.077 -2.590 11.411 1.00 . A B . 14 GLU CD 1 1 8 5993 1 1 14 GLU CG C -1.916 -3.024 10.552 1.00 . A B . 14 GLU CG 1 1 8 5994 1 1 14 GLU H H -4.232 -1.376 9.259 1.00 . A B . 14 GLU H 1 1 8 5995 1 1 14 GLU HA H -1.512 -0.559 9.447 1.00 . A B . 14 GLU HA 1 1 8 5996 1 1 14 GLU HB2 H -2.893 -3.122 8.666 1.00 . A B . 14 GLU HB2 1 1 8 5997 1 1 14 GLU HB3 H -1.154 -2.947 8.557 1.00 . A B . 14 GLU HB3 1 1 8 5998 1 1 14 GLU HG2 H -1.847 -4.100 10.605 1.00 . A B . 14 GLU HG2 1 1 8 5999 1 1 14 GLU HG3 H -1.010 -2.594 10.952 1.00 . A B . 14 GLU HG3 1 1 8 6000 1 1 14 GLU N N -3.551 -0.671 9.163 1.00 . A B . 14 GLU N 1 1 8 6001 1 1 14 GLU O O -0.791 -0.442 7.034 1.00 . A B . 14 GLU O 1 1 8 6002 1 1 14 GLU OE1 O -4.148 -3.222 11.351 1.00 . A B . 14 GLU OE1 1 1 8 6003 1 1 14 GLU OE2 O -2.936 -1.612 12.151 1.00 . A B . 14 GLU OE2 1 1 8 6004 1 1 15 LEU C C -2.562 0.955 5.020 1.00 . A B . 15 LEU C 1 1 8 6005 1 1 15 LEU CA C -2.883 -0.521 5.198 1.00 . A B . 15 LEU CA 1 1 8 6006 1 1 15 LEU CB C -4.240 -0.789 4.577 1.00 . A B . 15 LEU CB 1 1 8 6007 1 1 15 LEU CD1 C -3.638 -2.343 2.804 1.00 . A B . 15 LEU CD1 1 1 8 6008 1 1 15 LEU CD2 C -5.679 -0.982 2.581 1.00 . A B . 15 LEU CD2 1 1 8 6009 1 1 15 LEU CG C -4.268 -1.016 3.094 1.00 . A B . 15 LEU CG 1 1 8 6010 1 1 15 LEU H H -3.833 -1.058 6.998 1.00 . A B . 15 LEU H 1 1 8 6011 1 1 15 LEU HA H -2.143 -1.147 4.727 1.00 . A B . 15 LEU HA 1 1 8 6012 1 1 15 LEU HB2 H -4.661 -1.659 5.058 1.00 . A B . 15 LEU HB2 1 1 8 6013 1 1 15 LEU HB3 H -4.875 0.056 4.800 1.00 . A B . 15 LEU HB3 1 1 8 6014 1 1 15 LEU HD11 H -2.594 -2.325 3.077 1.00 . A B . 15 LEU HD11 1 1 8 6015 1 1 15 LEU HD12 H -3.751 -2.598 1.762 1.00 . A B . 15 LEU HD12 1 1 8 6016 1 1 15 LEU HD13 H -4.142 -3.079 3.425 1.00 . A B . 15 LEU HD13 1 1 8 6017 1 1 15 LEU HD21 H -5.662 -1.143 1.514 1.00 . A B . 15 LEU HD21 1 1 8 6018 1 1 15 LEU HD22 H -6.127 -0.025 2.800 1.00 . A B . 15 LEU HD22 1 1 8 6019 1 1 15 LEU HD23 H -6.243 -1.769 3.062 1.00 . A B . 15 LEU HD23 1 1 8 6020 1 1 15 LEU HG H -3.696 -0.246 2.595 1.00 . A B . 15 LEU HG 1 1 8 6021 1 1 15 LEU N N -2.968 -0.810 6.602 1.00 . A B . 15 LEU N 1 1 8 6022 1 1 15 LEU O O -1.681 1.321 4.255 1.00 . A B . 15 LEU O 1 1 8 6023 1 1 16 VAL C C -1.666 3.570 6.362 1.00 . A B . 16 VAL C 1 1 8 6024 1 1 16 VAL CA C -3.032 3.224 5.796 1.00 . A B . 16 VAL CA 1 1 8 6025 1 1 16 VAL CB C -4.160 3.951 6.589 1.00 . A B . 16 VAL CB 1 1 8 6026 1 1 16 VAL CG1 C -3.933 5.454 6.646 1.00 . A B . 16 VAL CG1 1 1 8 6027 1 1 16 VAL CG2 C -5.516 3.656 5.966 1.00 . A B . 16 VAL CG2 1 1 8 6028 1 1 16 VAL H H -3.868 1.398 6.455 1.00 . A B . 16 VAL H 1 1 8 6029 1 1 16 VAL HA H -3.050 3.558 4.766 1.00 . A B . 16 VAL HA 1 1 8 6030 1 1 16 VAL HB H -4.166 3.568 7.599 1.00 . A B . 16 VAL HB 1 1 8 6031 1 1 16 VAL HG11 H -3.892 5.853 5.644 1.00 . A B . 16 VAL HG11 1 1 8 6032 1 1 16 VAL HG12 H -3.003 5.653 7.157 1.00 . A B . 16 VAL HG12 1 1 8 6033 1 1 16 VAL HG13 H -4.747 5.912 7.187 1.00 . A B . 16 VAL HG13 1 1 8 6034 1 1 16 VAL HG21 H -6.285 4.186 6.507 1.00 . A B . 16 VAL HG21 1 1 8 6035 1 1 16 VAL HG22 H -5.708 2.594 6.006 1.00 . A B . 16 VAL HG22 1 1 8 6036 1 1 16 VAL HG23 H -5.514 3.982 4.936 1.00 . A B . 16 VAL HG23 1 1 8 6037 1 1 16 VAL N N -3.219 1.778 5.823 1.00 . A B . 16 VAL N 1 1 8 6038 1 1 16 VAL O O -0.992 4.465 5.873 1.00 . A B . 16 VAL O 1 1 8 6039 1 1 17 ARG C C 1.139 2.732 6.910 1.00 . A B . 17 ARG C 1 1 8 6040 1 1 17 ARG CA C 0.064 2.974 7.951 1.00 . A B . 17 ARG CA 1 1 8 6041 1 1 17 ARG CB C 0.242 2.046 9.153 1.00 . A B . 17 ARG CB 1 1 8 6042 1 1 17 ARG CD C -0.233 3.763 10.918 1.00 . A B . 17 ARG CD 1 1 8 6043 1 1 17 ARG CG C -0.603 2.408 10.357 1.00 . A B . 17 ARG CG 1 1 8 6044 1 1 17 ARG CZ C -0.608 4.358 13.302 1.00 . A B . 17 ARG CZ 1 1 8 6045 1 1 17 ARG H H -1.884 2.171 7.742 1.00 . A B . 17 ARG H 1 1 8 6046 1 1 17 ARG HA H 0.158 3.996 8.276 1.00 . A B . 17 ARG HA 1 1 8 6047 1 1 17 ARG HB2 H -0.041 1.051 8.845 1.00 . A B . 17 ARG HB2 1 1 8 6048 1 1 17 ARG HB3 H 1.277 2.026 9.456 1.00 . A B . 17 ARG HB3 1 1 8 6049 1 1 17 ARG HD2 H 0.803 3.740 11.222 1.00 . A B . 17 ARG HD2 1 1 8 6050 1 1 17 ARG HD3 H -0.363 4.513 10.152 1.00 . A B . 17 ARG HD3 1 1 8 6051 1 1 17 ARG HE H -2.027 4.162 11.850 1.00 . A B . 17 ARG HE 1 1 8 6052 1 1 17 ARG HG2 H -1.642 2.425 10.064 1.00 . A B . 17 ARG HG2 1 1 8 6053 1 1 17 ARG HG3 H -0.458 1.659 11.122 1.00 . A B . 17 ARG HG3 1 1 8 6054 1 1 17 ARG HH11 H 1.392 4.154 12.837 1.00 . A B . 17 ARG HH11 1 1 8 6055 1 1 17 ARG HH12 H 1.083 4.511 14.462 1.00 . A B . 17 ARG HH12 1 1 8 6056 1 1 17 ARG HH21 H -2.456 4.680 14.153 1.00 . A B . 17 ARG HH21 1 1 8 6057 1 1 17 ARG HH22 H -1.137 4.797 15.224 1.00 . A B . 17 ARG HH22 1 1 8 6058 1 1 17 ARG N N -1.254 2.826 7.366 1.00 . A B . 17 ARG N 1 1 8 6059 1 1 17 ARG NE N -1.066 4.116 12.065 1.00 . A B . 17 ARG NE 1 1 8 6060 1 1 17 ARG NH1 N 0.708 4.341 13.547 1.00 . A B . 17 ARG NH1 1 1 8 6061 1 1 17 ARG NH2 N -1.462 4.636 14.290 1.00 . A B . 17 ARG NH2 1 1 8 6062 1 1 17 ARG O O 2.106 3.493 6.815 1.00 . A B . 17 ARG O 1 1 8 6063 1 1 18 ALA C C 1.866 2.521 4.008 1.00 . A B . 18 ALA C 1 1 8 6064 1 1 18 ALA CA C 1.860 1.389 5.028 1.00 . A B . 18 ALA CA 1 1 8 6065 1 1 18 ALA CB C 1.487 0.069 4.369 1.00 . A B . 18 ALA CB 1 1 8 6066 1 1 18 ALA H H 0.140 1.163 6.261 1.00 . A B . 18 ALA H 1 1 8 6067 1 1 18 ALA HA H 2.850 1.303 5.454 1.00 . A B . 18 ALA HA 1 1 8 6068 1 1 18 ALA HB1 H 2.201 -0.164 3.594 1.00 . A B . 18 ALA HB1 1 1 8 6069 1 1 18 ALA HB2 H 0.500 0.150 3.938 1.00 . A B . 18 ALA HB2 1 1 8 6070 1 1 18 ALA HB3 H 1.492 -0.716 5.111 1.00 . A B . 18 ALA HB3 1 1 8 6071 1 1 18 ALA N N 0.940 1.710 6.106 1.00 . A B . 18 ALA N 1 1 8 6072 1 1 18 ALA O O 2.928 2.969 3.579 1.00 . A B . 18 ALA O 1 1 8 6073 1 1 19 GLN C C 1.213 5.350 3.198 1.00 . A B . 19 GLN C 1 1 8 6074 1 1 19 GLN CA C 0.445 4.113 2.751 1.00 . A B . 19 GLN CA 1 1 8 6075 1 1 19 GLN CB C -1.045 4.437 2.694 1.00 . A B . 19 GLN CB 1 1 8 6076 1 1 19 GLN CD C -3.311 3.674 1.864 1.00 . A B . 19 GLN CD 1 1 8 6077 1 1 19 GLN CG C -1.851 3.366 2.024 1.00 . A B . 19 GLN CG 1 1 8 6078 1 1 19 GLN H H -0.122 2.546 4.059 1.00 . A B . 19 GLN H 1 1 8 6079 1 1 19 GLN HA H 0.766 3.798 1.765 1.00 . A B . 19 GLN HA 1 1 8 6080 1 1 19 GLN HB2 H -1.377 4.496 3.721 1.00 . A B . 19 GLN HB2 1 1 8 6081 1 1 19 GLN HB3 H -1.230 5.395 2.241 1.00 . A B . 19 GLN HB3 1 1 8 6082 1 1 19 GLN HE21 H -3.333 2.532 0.279 1.00 . A B . 19 GLN HE21 1 1 8 6083 1 1 19 GLN HE22 H -4.846 3.231 0.681 1.00 . A B . 19 GLN HE22 1 1 8 6084 1 1 19 GLN HG2 H -1.446 3.230 1.035 1.00 . A B . 19 GLN HG2 1 1 8 6085 1 1 19 GLN HG3 H -1.744 2.452 2.588 1.00 . A B . 19 GLN HG3 1 1 8 6086 1 1 19 GLN N N 0.664 2.991 3.671 1.00 . A B . 19 GLN N 1 1 8 6087 1 1 19 GLN NE2 N -3.889 3.103 0.847 1.00 . A B . 19 GLN NE2 1 1 8 6088 1 1 19 GLN O O 2.061 5.854 2.480 1.00 . A B . 19 GLN O 1 1 8 6089 1 1 19 GLN OE1 O -3.918 4.405 2.651 1.00 . A B . 19 GLN OE1 1 1 8 6090 1 1 20 ILE C C 3.096 6.811 5.049 1.00 . A B . 20 ILE C 1 1 8 6091 1 1 20 ILE CA C 1.562 6.975 5.026 1.00 . A B . 20 ILE CA 1 1 8 6092 1 1 20 ILE CB C 1.024 7.189 6.478 1.00 . A B . 20 ILE CB 1 1 8 6093 1 1 20 ILE CD1 C -1.103 7.678 7.813 1.00 . A B . 20 ILE CD1 1 1 8 6094 1 1 20 ILE CG1 C -0.471 7.534 6.444 1.00 . A B . 20 ILE CG1 1 1 8 6095 1 1 20 ILE CG2 C 1.810 8.271 7.222 1.00 . A B . 20 ILE CG2 1 1 8 6096 1 1 20 ILE H H 0.175 5.353 4.869 1.00 . A B . 20 ILE H 1 1 8 6097 1 1 20 ILE HA H 1.316 7.845 4.435 1.00 . A B . 20 ILE HA 1 1 8 6098 1 1 20 ILE HB H 1.148 6.261 7.015 1.00 . A B . 20 ILE HB 1 1 8 6099 1 1 20 ILE HD11 H -0.996 6.753 8.361 1.00 . A B . 20 ILE HD11 1 1 8 6100 1 1 20 ILE HD12 H -2.151 7.910 7.699 1.00 . A B . 20 ILE HD12 1 1 8 6101 1 1 20 ILE HD13 H -0.613 8.475 8.352 1.00 . A B . 20 ILE HD13 1 1 8 6102 1 1 20 ILE HG12 H -0.607 8.470 5.923 1.00 . A B . 20 ILE HG12 1 1 8 6103 1 1 20 ILE HG13 H -1.000 6.755 5.913 1.00 . A B . 20 ILE HG13 1 1 8 6104 1 1 20 ILE HG21 H 1.418 8.377 8.222 1.00 . A B . 20 ILE HG21 1 1 8 6105 1 1 20 ILE HG22 H 1.708 9.209 6.696 1.00 . A B . 20 ILE HG22 1 1 8 6106 1 1 20 ILE HG23 H 2.853 7.995 7.268 1.00 . A B . 20 ILE HG23 1 1 8 6107 1 1 20 ILE N N 0.908 5.810 4.397 1.00 . A B . 20 ILE N 1 1 8 6108 1 1 20 ILE O O 3.853 7.780 4.829 1.00 . A B . 20 ILE O 1 1 8 6109 1 1 21 ALA C C 5.610 5.437 3.926 1.00 . A B . 21 ALA C 1 1 8 6110 1 1 21 ALA CA C 4.960 5.282 5.303 1.00 . A B . 21 ALA CA 1 1 8 6111 1 1 21 ALA CB C 5.185 3.888 5.855 1.00 . A B . 21 ALA CB 1 1 8 6112 1 1 21 ALA H H 2.892 4.862 5.383 1.00 . A B . 21 ALA H 1 1 8 6113 1 1 21 ALA HA H 5.417 5.993 5.975 1.00 . A B . 21 ALA HA 1 1 8 6114 1 1 21 ALA HB1 H 4.714 3.171 5.200 1.00 . A B . 21 ALA HB1 1 1 8 6115 1 1 21 ALA HB2 H 4.752 3.813 6.842 1.00 . A B . 21 ALA HB2 1 1 8 6116 1 1 21 ALA HB3 H 6.245 3.685 5.907 1.00 . A B . 21 ALA HB3 1 1 8 6117 1 1 21 ALA N N 3.544 5.587 5.258 1.00 . A B . 21 ALA N 1 1 8 6118 1 1 21 ALA O O 6.797 5.714 3.829 1.00 . A B . 21 ALA O 1 1 8 6119 1 1 22 ILE C C 5.148 6.890 1.084 1.00 . A B . 22 ILE C 1 1 8 6120 1 1 22 ILE CA C 5.305 5.427 1.517 1.00 . A B . 22 ILE CA 1 1 8 6121 1 1 22 ILE CB C 4.492 4.533 0.543 1.00 . A B . 22 ILE CB 1 1 8 6122 1 1 22 ILE CD1 C 3.639 2.168 0.169 1.00 . A B . 22 ILE CD1 1 1 8 6123 1 1 22 ILE CG1 C 4.568 3.065 0.958 1.00 . A B . 22 ILE CG1 1 1 8 6124 1 1 22 ILE CG2 C 4.991 4.699 -0.885 1.00 . A B . 22 ILE CG2 1 1 8 6125 1 1 22 ILE H H 3.894 5.003 3.031 1.00 . A B . 22 ILE H 1 1 8 6126 1 1 22 ILE HA H 6.349 5.149 1.470 1.00 . A B . 22 ILE HA 1 1 8 6127 1 1 22 ILE HB H 3.461 4.852 0.578 1.00 . A B . 22 ILE HB 1 1 8 6128 1 1 22 ILE HD11 H 3.897 2.205 -0.878 1.00 . A B . 22 ILE HD11 1 1 8 6129 1 1 22 ILE HD12 H 2.625 2.512 0.304 1.00 . A B . 22 ILE HD12 1 1 8 6130 1 1 22 ILE HD13 H 3.723 1.154 0.531 1.00 . A B . 22 ILE HD13 1 1 8 6131 1 1 22 ILE HG12 H 5.576 2.706 0.814 1.00 . A B . 22 ILE HG12 1 1 8 6132 1 1 22 ILE HG13 H 4.306 2.980 2.002 1.00 . A B . 22 ILE HG13 1 1 8 6133 1 1 22 ILE HG21 H 4.405 4.069 -1.535 1.00 . A B . 22 ILE HG21 1 1 8 6134 1 1 22 ILE HG22 H 6.030 4.410 -0.940 1.00 . A B . 22 ILE HG22 1 1 8 6135 1 1 22 ILE HG23 H 4.885 5.730 -1.188 1.00 . A B . 22 ILE HG23 1 1 8 6136 1 1 22 ILE N N 4.830 5.266 2.887 1.00 . A B . 22 ILE N 1 1 8 6137 1 1 22 ILE O O 5.948 7.417 0.313 1.00 . A B . 22 ILE O 1 1 8 6138 1 1 23 CYS C C 4.838 9.896 1.831 1.00 . A B . 23 CYS C 1 1 8 6139 1 1 23 CYS CA C 3.841 8.925 1.251 1.00 . A B . 23 CYS CA 1 1 8 6140 1 1 23 CYS CB C 2.460 9.286 1.738 1.00 . A B . 23 CYS CB 1 1 8 6141 1 1 23 CYS H H 3.566 7.087 2.275 1.00 . A B . 23 CYS H 1 1 8 6142 1 1 23 CYS HA H 3.849 8.992 0.174 1.00 . A B . 23 CYS HA 1 1 8 6143 1 1 23 CYS HB2 H 2.401 8.991 2.776 1.00 . A B . 23 CYS HB2 1 1 8 6144 1 1 23 CYS HB3 H 2.363 10.356 1.677 1.00 . A B . 23 CYS HB3 1 1 8 6145 1 1 23 CYS N N 4.145 7.552 1.632 1.00 . A B . 23 CYS N 1 1 8 6146 1 1 23 CYS O O 5.072 10.976 1.275 1.00 . A B . 23 CYS O 1 1 8 6147 1 1 23 CYS SG S 1.100 8.465 0.848 1.00 . A B . 23 CYS SG 1 1 8 6148 1 1 24 GLY C C 7.741 9.394 3.245 1.00 . A B . 24 GLY C 1 1 8 6149 1 1 24 GLY CA C 6.530 10.231 3.422 1.00 . A B . 24 GLY CA 1 1 8 6150 1 1 24 GLY H H 5.114 8.696 3.338 1.00 . A B . 24 GLY H 1 1 8 6151 1 1 24 GLY HA2 H 6.634 11.162 2.886 1.00 . A B . 24 GLY HA2 1 1 8 6152 1 1 24 GLY HA3 H 6.378 10.418 4.474 1.00 . A B . 24 GLY HA3 1 1 8 6153 1 1 24 GLY N N 5.441 9.504 2.892 1.00 . A B . 24 GLY N 1 1 8 6154 1 1 24 GLY O O 8.329 9.365 2.164 1.00 . A B . 24 GLY O 1 1 8 6155 1 1 25 MET C C 9.268 7.110 5.659 1.00 . A B . 25 MET C 1 1 8 6156 1 1 25 MET CA C 9.156 7.716 4.289 1.00 . A B . 25 MET CA 1 1 8 6157 1 1 25 MET CB C 10.511 8.285 3.850 1.00 . A B . 25 MET CB 1 1 8 6158 1 1 25 MET CE C 12.764 4.917 2.842 1.00 . A B . 25 MET CE 1 1 8 6159 1 1 25 MET CG C 11.621 7.245 3.811 1.00 . A B . 25 MET CG 1 1 8 6160 1 1 25 MET H H 7.554 8.813 5.102 1.00 . A B . 25 MET H 1 1 8 6161 1 1 25 MET HA H 8.862 6.929 3.611 1.00 . A B . 25 MET HA 1 1 8 6162 1 1 25 MET HB2 H 10.392 8.688 2.854 1.00 . A B . 25 MET HB2 1 1 8 6163 1 1 25 MET HB3 H 10.799 9.076 4.525 1.00 . A B . 25 MET HB3 1 1 8 6164 1 1 25 MET HE1 H 12.874 4.602 3.870 1.00 . A B . 25 MET HE1 1 1 8 6165 1 1 25 MET HE2 H 13.615 5.518 2.557 1.00 . A B . 25 MET HE2 1 1 8 6166 1 1 25 MET HE3 H 12.706 4.049 2.202 1.00 . A B . 25 MET HE3 1 1 8 6167 1 1 25 MET HG2 H 12.541 7.720 3.512 1.00 . A B . 25 MET HG2 1 1 8 6168 1 1 25 MET HG3 H 11.740 6.839 4.805 1.00 . A B . 25 MET HG3 1 1 8 6169 1 1 25 MET N N 8.077 8.687 4.280 1.00 . A B . 25 MET N 1 1 8 6170 1 1 25 MET O O 9.887 7.669 6.548 1.00 . A B . 25 MET O 1 1 8 6171 1 1 25 MET SD S 11.266 5.884 2.674 1.00 . A B . 25 MET SD 1 1 8 6172 1 1 26 SER C C 8.735 3.830 6.807 1.00 . A B . 26 SER C 1 1 8 6173 1 1 26 SER CA C 8.678 5.319 7.088 1.00 . A B . 26 SER CA 1 1 8 6174 1 1 26 SER CB C 7.499 5.701 8.012 1.00 . A B . 26 SER CB 1 1 8 6175 1 1 26 SER H H 8.010 5.721 5.124 1.00 . A B . 26 SER H 1 1 8 6176 1 1 26 SER HA H 9.607 5.602 7.557 1.00 . A B . 26 SER HA 1 1 8 6177 1 1 26 SER HB2 H 7.495 6.769 8.173 1.00 . A B . 26 SER HB2 1 1 8 6178 1 1 26 SER HB3 H 6.572 5.410 7.541 1.00 . A B . 26 SER HB3 1 1 8 6179 1 1 26 SER HG H 7.875 4.149 9.090 1.00 . A B . 26 SER HG 1 1 8 6180 1 1 26 SER N N 8.602 6.030 5.849 1.00 . A B . 26 SER N 1 1 8 6181 1 1 26 SER O O 8.563 3.010 7.699 1.00 . A B . 26 SER O 1 1 8 6182 1 1 26 SER OG O 7.585 5.056 9.274 1.00 . A B . 26 SER OG 1 1 8 6183 1 1 27 THR C C 10.438 1.588 5.739 1.00 . A B . 27 THR C 1 1 8 6184 1 1 27 THR CA C 9.143 2.107 5.160 1.00 . A B . 27 THR CA 1 1 8 6185 1 1 27 THR CB C 9.166 2.001 3.630 1.00 . A B . 27 THR CB 1 1 8 6186 1 1 27 THR CG2 C 9.055 0.557 3.186 1.00 . A B . 27 THR CG2 1 1 8 6187 1 1 27 THR H H 9.094 4.191 4.876 1.00 . A B . 27 THR H 1 1 8 6188 1 1 27 THR HA H 8.326 1.547 5.563 1.00 . A B . 27 THR HA 1 1 8 6189 1 1 27 THR HB H 10.090 2.423 3.262 1.00 . A B . 27 THR HB 1 1 8 6190 1 1 27 THR HG1 H 7.243 2.280 3.325 1.00 . A B . 27 THR HG1 1 1 8 6191 1 1 27 THR HG21 H 9.091 0.512 2.108 1.00 . A B . 27 THR HG21 1 1 8 6192 1 1 27 THR HG22 H 8.117 0.150 3.530 1.00 . A B . 27 THR HG22 1 1 8 6193 1 1 27 THR HG23 H 9.872 -0.015 3.600 1.00 . A B . 27 THR HG23 1 1 8 6194 1 1 27 THR N N 8.999 3.494 5.556 1.00 . A B . 27 THR N 1 1 8 6195 1 1 27 THR O O 10.553 0.456 6.214 1.00 . A B . 27 THR O 1 1 8 6196 1 1 27 THR OG1 O 8.059 2.741 3.102 1.00 . A B . 27 THR OG1 1 1 8 6197 1 1 28 TRP C C 13.106 3.756 6.631 1.00 . A B . 28 TRP C 1 1 8 6198 1 1 28 TRP CA C 12.684 2.362 6.254 1.00 . A B . 28 TRP CA 1 1 8 6199 1 1 28 TRP CB C 13.654 1.808 5.187 1.00 . A B . 28 TRP CB 1 1 8 6200 1 1 28 TRP CD1 C 12.889 -0.016 3.568 1.00 . A B . 28 TRP CD1 1 1 8 6201 1 1 28 TRP CD2 C 13.558 -0.782 5.557 1.00 . A B . 28 TRP CD2 1 1 8 6202 1 1 28 TRP CE2 C 13.165 -1.873 4.767 1.00 . A B . 28 TRP CE2 1 1 8 6203 1 1 28 TRP CE3 C 14.015 -1.022 6.856 1.00 . A B . 28 TRP CE3 1 1 8 6204 1 1 28 TRP CG C 13.381 0.398 4.765 1.00 . A B . 28 TRP CG 1 1 8 6205 1 1 28 TRP CH2 C 13.662 -3.387 6.502 1.00 . A B . 28 TRP CH2 1 1 8 6206 1 1 28 TRP CZ2 C 13.213 -3.183 5.229 1.00 . A B . 28 TRP CZ2 1 1 8 6207 1 1 28 TRP CZ3 C 14.060 -2.321 7.311 1.00 . A B . 28 TRP CZ3 1 1 8 6208 1 1 28 TRP H H 11.034 3.357 5.433 1.00 . A B . 28 TRP H 1 1 8 6209 1 1 28 TRP HA H 12.678 1.728 7.128 1.00 . A B . 28 TRP HA 1 1 8 6210 1 1 28 TRP HB2 H 13.596 2.429 4.306 1.00 . A B . 28 TRP HB2 1 1 8 6211 1 1 28 TRP HB3 H 14.656 1.857 5.583 1.00 . A B . 28 TRP HB3 1 1 8 6212 1 1 28 TRP HD1 H 12.645 0.645 2.750 1.00 . A B . 28 TRP HD1 1 1 8 6213 1 1 28 TRP HE1 H 12.436 -1.923 2.808 1.00 . A B . 28 TRP HE1 1 1 8 6214 1 1 28 TRP HE3 H 14.326 -0.211 7.497 1.00 . A B . 28 TRP HE3 1 1 8 6215 1 1 28 TRP HH2 H 13.715 -4.388 6.905 1.00 . A B . 28 TRP HH2 1 1 8 6216 1 1 28 TRP HZ2 H 12.909 -4.016 4.614 1.00 . A B . 28 TRP HZ2 1 1 8 6217 1 1 28 TRP HZ3 H 14.407 -2.528 8.313 1.00 . A B . 28 TRP HZ3 1 1 8 6218 1 1 28 TRP N N 11.345 2.486 5.755 1.00 . A B . 28 TRP N 1 1 8 6219 1 1 28 TRP NE1 N 12.764 -1.378 3.558 1.00 . A B . 28 TRP NE1 1 1 8 6220 1 1 28 TRP O O 12.327 4.699 6.425 1.00 . A B . 28 TRP O 1 1 8 6221 1 1 29 SER C C 15.245 5.978 6.296 1.00 . A B . 29 SER C 1 1 8 6222 1 1 29 SER CA C 14.799 5.200 7.532 1.00 . A B . 29 SER CA 1 1 8 6223 1 1 29 SER CB C 15.954 5.023 8.504 1.00 . A B . 29 SER CB 1 1 8 6224 1 1 29 SER H H 14.877 3.127 7.284 1.00 . A B . 29 SER H 1 1 8 6225 1 1 29 SER HA H 14.004 5.740 8.022 1.00 . A B . 29 SER HA 1 1 8 6226 1 1 29 SER HB2 H 16.792 4.586 7.982 1.00 . A B . 29 SER HB2 1 1 8 6227 1 1 29 SER HB3 H 16.239 5.984 8.906 1.00 . A B . 29 SER HB3 1 1 8 6228 1 1 29 SER HG H 16.268 4.212 10.241 1.00 . A B . 29 SER HG 1 1 8 6229 1 1 29 SER N N 14.295 3.905 7.146 1.00 . A B . 29 SER N 1 1 8 6230 1 1 29 SER O O 16.320 5.725 5.745 1.00 . A B . 29 SER O 1 1 8 6231 1 1 29 SER OG O 15.571 4.170 9.575 1.00 . A B . 29 SER OG 1 1 8 6232 1 1 30 NH2 HN1 H 13.575 6.999 6.333 1.00 . A B . 30 NH2 HN1 1 1 8 6233 1 1 30 NH2 HN2 H 14.643 7.354 5.009 1.00 . A B . 30 NH2 HN2 1 1 8 6234 1 1 30 NH2 N N 14.405 6.867 5.826 1.00 . A B . 30 NH2 N 1 1 8 6235 2 2 1 PCA C C -12.135 2.847 -5.854 1.00 . B A . 1 PCA C 1 1 8 6236 2 2 1 PCA CA C -13.417 3.581 -6.153 1.00 . B A . 1 PCA CA 1 1 8 6237 2 2 1 PCA CB C -14.512 2.588 -6.476 1.00 . B A . 1 PCA CB 1 1 8 6238 2 2 1 PCA CD C -13.912 3.909 -8.380 1.00 . B A . 1 PCA CD 1 1 8 6239 2 2 1 PCA CG C -14.776 2.726 -7.962 1.00 . B A . 1 PCA CG 1 1 8 6240 2 2 1 PCA HA H -13.661 4.189 -5.299 1.00 . B A . 1 PCA HA 1 1 8 6241 2 2 1 PCA HB2 H -14.173 1.577 -6.247 1.00 . B A . 1 PCA HB2 1 1 8 6242 2 2 1 PCA HB3 H -15.412 2.816 -5.906 1.00 . B A . 1 PCA HB3 1 1 8 6243 2 2 1 PCA HG2 H -14.482 1.816 -8.485 1.00 . B A . 1 PCA HG2 1 1 8 6244 2 2 1 PCA HG3 H -15.820 2.967 -8.152 1.00 . B A . 1 PCA HG3 1 1 8 6245 2 2 1 PCA N N -13.242 4.426 -7.348 1.00 . B A . 1 PCA N 1 1 8 6246 2 2 1 PCA O O -12.108 1.857 -5.136 1.00 . B A . 1 PCA O 1 1 8 6247 2 2 1 PCA OE O -13.851 4.326 -9.536 1.00 . B A . 1 PCA OE 1 1 8 6248 2 2 2 LEU C C -9.207 2.758 -4.886 1.00 . B A . 2 LEU C 1 1 8 6249 2 2 2 LEU CA C -9.748 2.828 -6.282 1.00 . B A . 2 LEU CA 1 1 8 6250 2 2 2 LEU CB C -8.791 3.530 -7.238 1.00 . B A . 2 LEU CB 1 1 8 6251 2 2 2 LEU CD1 C -8.146 4.160 -9.583 1.00 . B A . 2 LEU CD1 1 1 8 6252 2 2 2 LEU CD2 C -9.097 1.898 -9.133 1.00 . B A . 2 LEU CD2 1 1 8 6253 2 2 2 LEU CG C -9.119 3.371 -8.731 1.00 . B A . 2 LEU CG 1 1 8 6254 2 2 2 LEU H H -11.262 4.283 -6.759 1.00 . B A . 2 LEU H 1 1 8 6255 2 2 2 LEU HA H -9.799 1.793 -6.567 1.00 . B A . 2 LEU HA 1 1 8 6256 2 2 2 LEU HB2 H -8.792 4.584 -6.999 1.00 . B A . 2 LEU HB2 1 1 8 6257 2 2 2 LEU HB3 H -7.798 3.142 -7.070 1.00 . B A . 2 LEU HB3 1 1 8 6258 2 2 2 LEU HD11 H -7.148 3.778 -9.434 1.00 . B A . 2 LEU HD11 1 1 8 6259 2 2 2 LEU HD12 H -8.180 5.201 -9.299 1.00 . B A . 2 LEU HD12 1 1 8 6260 2 2 2 LEU HD13 H -8.416 4.062 -10.625 1.00 . B A . 2 LEU HD13 1 1 8 6261 2 2 2 LEU HD21 H -9.859 1.356 -8.592 1.00 . B A . 2 LEU HD21 1 1 8 6262 2 2 2 LEU HD22 H -8.127 1.478 -8.914 1.00 . B A . 2 LEU HD22 1 1 8 6263 2 2 2 LEU HD23 H -9.288 1.815 -10.192 1.00 . B A . 2 LEU HD23 1 1 8 6264 2 2 2 LEU HG H -10.112 3.754 -8.916 1.00 . B A . 2 LEU HG 1 1 8 6265 2 2 2 LEU N N -11.080 3.408 -6.351 1.00 . B A . 2 LEU N 1 1 8 6266 2 2 2 LEU O O -8.427 1.862 -4.567 1.00 . B A . 2 LEU O 1 1 8 6267 2 2 3 TYR C C -9.882 2.506 -1.918 1.00 . B A . 3 TYR C 1 1 8 6268 2 2 3 TYR CA C -9.199 3.630 -2.691 1.00 . B A . 3 TYR CA 1 1 8 6269 2 2 3 TYR CB C -9.429 4.972 -2.037 1.00 . B A . 3 TYR CB 1 1 8 6270 2 2 3 TYR CD1 C -7.085 5.700 -1.777 1.00 . B A . 3 TYR CD1 1 1 8 6271 2 2 3 TYR CD2 C -8.353 5.336 0.195 1.00 . B A . 3 TYR CD2 1 1 8 6272 2 2 3 TYR CE1 C -5.998 6.034 -1.042 1.00 . B A . 3 TYR CE1 1 1 8 6273 2 2 3 TYR CE2 C -7.260 5.673 0.958 1.00 . B A . 3 TYR CE2 1 1 8 6274 2 2 3 TYR CG C -8.277 5.348 -1.183 1.00 . B A . 3 TYR CG 1 1 8 6275 2 2 3 TYR CZ C -6.080 6.024 0.337 1.00 . B A . 3 TYR CZ 1 1 8 6276 2 2 3 TYR H H -10.282 4.322 -4.357 1.00 . B A . 3 TYR H 1 1 8 6277 2 2 3 TYR HA H -8.139 3.425 -2.711 1.00 . B A . 3 TYR HA 1 1 8 6278 2 2 3 TYR HB2 H -9.552 5.730 -2.798 1.00 . B A . 3 TYR HB2 1 1 8 6279 2 2 3 TYR HB3 H -10.311 4.928 -1.416 1.00 . B A . 3 TYR HB3 1 1 8 6280 2 2 3 TYR HD1 H -7.024 5.709 -2.855 1.00 . B A . 3 TYR HD1 1 1 8 6281 2 2 3 TYR HD2 H -9.281 5.059 0.673 1.00 . B A . 3 TYR HD2 1 1 8 6282 2 2 3 TYR HE1 H -5.100 6.289 -1.581 1.00 . B A . 3 TYR HE1 1 1 8 6283 2 2 3 TYR HE2 H -7.336 5.660 2.033 1.00 . B A . 3 TYR HE2 1 1 8 6284 2 2 3 TYR HH H -4.823 5.670 1.749 1.00 . B A . 3 TYR HH 1 1 8 6285 2 2 3 TYR N N -9.650 3.638 -4.044 1.00 . B A . 3 TYR N 1 1 8 6286 2 2 3 TYR O O -9.238 1.796 -1.125 1.00 . B A . 3 TYR O 1 1 8 6287 2 2 3 TYR OH O -4.978 6.370 1.097 1.00 . B A . 3 TYR OH 1 1 8 6288 2 2 4 SER C C -11.494 -0.087 -2.174 1.00 . B A . 4 SER C 1 1 8 6289 2 2 4 SER CA C -11.932 1.248 -1.579 1.00 . B A . 4 SER CA 1 1 8 6290 2 2 4 SER CB C -13.427 1.471 -1.814 1.00 . B A . 4 SER CB 1 1 8 6291 2 2 4 SER H H -11.623 2.930 -2.800 1.00 . B A . 4 SER H 1 1 8 6292 2 2 4 SER HA H -11.733 1.247 -0.518 1.00 . B A . 4 SER HA 1 1 8 6293 2 2 4 SER HB2 H -13.629 1.455 -2.875 1.00 . B A . 4 SER HB2 1 1 8 6294 2 2 4 SER HB3 H -13.988 0.687 -1.328 1.00 . B A . 4 SER HB3 1 1 8 6295 2 2 4 SER HG H -14.480 2.527 -0.596 1.00 . B A . 4 SER HG 1 1 8 6296 2 2 4 SER N N -11.166 2.319 -2.183 1.00 . B A . 4 SER N 1 1 8 6297 2 2 4 SER O O -11.401 -1.096 -1.464 1.00 . B A . 4 SER O 1 1 8 6298 2 2 4 SER OG O -13.838 2.728 -1.287 1.00 . B A . 4 SER OG 1 1 8 6299 2 2 5 ALA C C -9.445 -1.717 -3.563 1.00 . B A . 5 ALA C 1 1 8 6300 2 2 5 ALA CA C -10.734 -1.244 -4.176 1.00 . B A . 5 ALA CA 1 1 8 6301 2 2 5 ALA CB C -10.551 -0.961 -5.662 1.00 . B A . 5 ALA CB 1 1 8 6302 2 2 5 ALA H H -11.346 0.755 -3.985 1.00 . B A . 5 ALA H 1 1 8 6303 2 2 5 ALA HA H -11.474 -2.022 -4.060 1.00 . B A . 5 ALA HA 1 1 8 6304 2 2 5 ALA HB1 H -10.256 -1.868 -6.169 1.00 . B A . 5 ALA HB1 1 1 8 6305 2 2 5 ALA HB2 H -9.779 -0.216 -5.789 1.00 . B A . 5 ALA HB2 1 1 8 6306 2 2 5 ALA HB3 H -11.478 -0.597 -6.080 1.00 . B A . 5 ALA HB3 1 1 8 6307 2 2 5 ALA N N -11.206 -0.074 -3.473 1.00 . B A . 5 ALA N 1 1 8 6308 2 2 5 ALA O O -9.350 -2.855 -3.166 1.00 . B A . 5 ALA O 1 1 8 6309 2 2 6 LEU C C -7.372 -1.677 -1.418 1.00 . B A . 6 LEU C 1 1 8 6310 2 2 6 LEU CA C -7.187 -1.118 -2.827 1.00 . B A . 6 LEU CA 1 1 8 6311 2 2 6 LEU CB C -6.305 0.145 -2.783 1.00 . B A . 6 LEU CB 1 1 8 6312 2 2 6 LEU CD1 C -4.065 -0.945 -3.058 1.00 . B A . 6 LEU CD1 1 1 8 6313 2 2 6 LEU CD2 C -4.208 1.335 -2.067 1.00 . B A . 6 LEU CD2 1 1 8 6314 2 2 6 LEU CG C -4.892 -0.015 -2.202 1.00 . B A . 6 LEU CG 1 1 8 6315 2 2 6 LEU H H -8.639 0.105 -3.758 1.00 . B A . 6 LEU H 1 1 8 6316 2 2 6 LEU HA H -6.706 -1.872 -3.436 1.00 . B A . 6 LEU HA 1 1 8 6317 2 2 6 LEU HB2 H -6.210 0.519 -3.792 1.00 . B A . 6 LEU HB2 1 1 8 6318 2 2 6 LEU HB3 H -6.826 0.889 -2.199 1.00 . B A . 6 LEU HB3 1 1 8 6319 2 2 6 LEU HD11 H -4.034 -0.558 -4.066 1.00 . B A . 6 LEU HD11 1 1 8 6320 2 2 6 LEU HD12 H -4.508 -1.929 -3.058 1.00 . B A . 6 LEU HD12 1 1 8 6321 2 2 6 LEU HD13 H -3.061 -1.000 -2.664 1.00 . B A . 6 LEU HD13 1 1 8 6322 2 2 6 LEU HD21 H -4.170 1.815 -3.033 1.00 . B A . 6 LEU HD21 1 1 8 6323 2 2 6 LEU HD22 H -3.205 1.206 -1.688 1.00 . B A . 6 LEU HD22 1 1 8 6324 2 2 6 LEU HD23 H -4.768 1.956 -1.382 1.00 . B A . 6 LEU HD23 1 1 8 6325 2 2 6 LEU HG H -4.969 -0.455 -1.219 1.00 . B A . 6 LEU HG 1 1 8 6326 2 2 6 LEU N N -8.484 -0.808 -3.427 1.00 . B A . 6 LEU N 1 1 8 6327 2 2 6 LEU O O -6.737 -2.659 -1.054 1.00 . B A . 6 LEU O 1 1 8 6328 2 2 7 ALA C C -9.019 -2.956 0.733 1.00 . B A . 7 ALA C 1 1 8 6329 2 2 7 ALA CA C -8.566 -1.500 0.709 1.00 . B A . 7 ALA CA 1 1 8 6330 2 2 7 ALA CB C -9.616 -0.598 1.348 1.00 . B A . 7 ALA CB 1 1 8 6331 2 2 7 ALA H H -8.760 -0.297 -1.025 1.00 . B A . 7 ALA H 1 1 8 6332 2 2 7 ALA HA H -7.654 -1.420 1.280 1.00 . B A . 7 ALA HA 1 1 8 6333 2 2 7 ALA HB1 H -10.543 -0.687 0.802 1.00 . B A . 7 ALA HB1 1 1 8 6334 2 2 7 ALA HB2 H -9.277 0.426 1.318 1.00 . B A . 7 ALA HB2 1 1 8 6335 2 2 7 ALA HB3 H -9.773 -0.896 2.374 1.00 . B A . 7 ALA HB3 1 1 8 6336 2 2 7 ALA N N -8.277 -1.065 -0.652 1.00 . B A . 7 ALA N 1 1 8 6337 2 2 7 ALA O O -8.429 -3.799 1.436 1.00 . B A . 7 ALA O 1 1 8 6338 2 2 8 ASN C C -9.537 -5.546 -0.748 1.00 . B A . 8 ASN C 1 1 8 6339 2 2 8 ASN CA C -10.558 -4.609 -0.140 1.00 . B A . 8 ASN CA 1 1 8 6340 2 2 8 ASN CB C -11.874 -4.670 -0.944 1.00 . B A . 8 ASN CB 1 1 8 6341 2 2 8 ASN CG C -13.070 -4.050 -0.230 1.00 . B A . 8 ASN CG 1 1 8 6342 2 2 8 ASN H H -10.416 -2.536 -0.605 1.00 . B A . 8 ASN H 1 1 8 6343 2 2 8 ASN HA H -10.754 -4.936 0.870 1.00 . B A . 8 ASN HA 1 1 8 6344 2 2 8 ASN HB2 H -11.736 -4.148 -1.879 1.00 . B A . 8 ASN HB2 1 1 8 6345 2 2 8 ASN HB3 H -12.099 -5.705 -1.152 1.00 . B A . 8 ASN HB3 1 1 8 6346 2 2 8 ASN HD21 H -12.692 -2.287 -1.035 1.00 . B A . 8 ASN HD21 1 1 8 6347 2 2 8 ASN HD22 H -14.061 -2.350 -0.008 1.00 . B A . 8 ASN HD22 1 1 8 6348 2 2 8 ASN N N -10.029 -3.256 -0.058 1.00 . B A . 8 ASN N 1 1 8 6349 2 2 8 ASN ND2 N -13.294 -2.787 -0.438 1.00 . B A . 8 ASN ND2 1 1 8 6350 2 2 8 ASN O O -9.123 -6.498 -0.118 1.00 . B A . 8 ASN O 1 1 8 6351 2 2 8 ASN OD1 O -13.801 -4.729 0.503 1.00 . B A . 8 ASN OD1 1 1 8 6352 2 2 9 LYS C C -6.904 -6.421 -1.918 1.00 . B A . 9 LYS C 1 1 8 6353 2 2 9 LYS CA C -8.149 -6.054 -2.691 1.00 . B A . 9 LYS CA 1 1 8 6354 2 2 9 LYS CB C -7.789 -5.398 -4.021 1.00 . B A . 9 LYS CB 1 1 8 6355 2 2 9 LYS CD C -8.555 -4.680 -6.320 1.00 . B A . 9 LYS CD 1 1 8 6356 2 2 9 LYS CE C -7.577 -5.538 -7.115 1.00 . B A . 9 LYS CE 1 1 8 6357 2 2 9 LYS CG C -8.950 -5.329 -5.003 1.00 . B A . 9 LYS CG 1 1 8 6358 2 2 9 LYS H H -9.336 -4.350 -2.317 1.00 . B A . 9 LYS H 1 1 8 6359 2 2 9 LYS HA H -8.666 -6.977 -2.901 1.00 . B A . 9 LYS HA 1 1 8 6360 2 2 9 LYS HB2 H -7.499 -4.382 -3.795 1.00 . B A . 9 LYS HB2 1 1 8 6361 2 2 9 LYS HB3 H -6.946 -5.883 -4.484 1.00 . B A . 9 LYS HB3 1 1 8 6362 2 2 9 LYS HD2 H -9.444 -4.527 -6.914 1.00 . B A . 9 LYS HD2 1 1 8 6363 2 2 9 LYS HD3 H -8.097 -3.725 -6.111 1.00 . B A . 9 LYS HD3 1 1 8 6364 2 2 9 LYS HE2 H -7.286 -5.000 -8.003 1.00 . B A . 9 LYS HE2 1 1 8 6365 2 2 9 LYS HE3 H -6.703 -5.724 -6.511 1.00 . B A . 9 LYS HE3 1 1 8 6366 2 2 9 LYS HG2 H -9.282 -6.335 -5.205 1.00 . B A . 9 LYS HG2 1 1 8 6367 2 2 9 LYS HG3 H -9.755 -4.765 -4.554 1.00 . B A . 9 LYS HG3 1 1 8 6368 2 2 9 LYS HZ1 H -8.456 -7.417 -6.715 1.00 . B A . 9 LYS HZ1 1 1 8 6369 2 2 9 LYS HZ2 H -7.492 -7.375 -8.097 1.00 . B A . 9 LYS HZ2 1 1 8 6370 2 2 9 LYS HZ3 H -9.009 -6.669 -8.112 1.00 . B A . 9 LYS HZ3 1 1 8 6371 2 2 9 LYS N N -9.072 -5.216 -1.929 1.00 . B A . 9 LYS N 1 1 8 6372 2 2 9 LYS NZ N -8.166 -6.832 -7.522 1.00 . B A . 9 LYS NZ 1 1 8 6373 2 2 9 LYS O O -6.525 -7.580 -1.899 1.00 . B A . 9 LYS O 1 1 8 6374 2 2 10 CYS C C -5.403 -6.535 0.756 1.00 . B A . 10 CYS C 1 1 8 6375 2 2 10 CYS CA C -5.093 -5.727 -0.499 1.00 . B A . 10 CYS CA 1 1 8 6376 2 2 10 CYS CB C -4.409 -4.416 -0.134 1.00 . B A . 10 CYS CB 1 1 8 6377 2 2 10 CYS H H -6.678 -4.557 -1.240 1.00 . B A . 10 CYS H 1 1 8 6378 2 2 10 CYS HA H -4.415 -6.325 -1.100 1.00 . B A . 10 CYS HA 1 1 8 6379 2 2 10 CYS HB2 H -4.444 -3.744 -0.978 1.00 . B A . 10 CYS HB2 1 1 8 6380 2 2 10 CYS HB3 H -4.957 -3.971 0.684 1.00 . B A . 10 CYS HB3 1 1 8 6381 2 2 10 CYS N N -6.311 -5.470 -1.246 1.00 . B A . 10 CYS N 1 1 8 6382 2 2 10 CYS O O -4.567 -7.291 1.231 1.00 . B A . 10 CYS O 1 1 8 6383 2 2 10 CYS SG S -2.678 -4.586 0.385 1.00 . B A . 10 CYS SG 1 1 8 6384 2 2 11 CYS C C -7.275 -8.621 2.073 1.00 . B A . 11 CYS C 1 1 8 6385 2 2 11 CYS CA C -6.998 -7.152 2.437 1.00 . B A . 11 CYS CA 1 1 8 6386 2 2 11 CYS CB C -8.230 -6.537 3.094 1.00 . B A . 11 CYS CB 1 1 8 6387 2 2 11 CYS H H -7.261 -5.777 0.873 1.00 . B A . 11 CYS H 1 1 8 6388 2 2 11 CYS HA H -6.174 -7.116 3.134 1.00 . B A . 11 CYS HA 1 1 8 6389 2 2 11 CYS HB2 H -8.170 -5.460 3.067 1.00 . B A . 11 CYS HB2 1 1 8 6390 2 2 11 CYS HB3 H -9.096 -6.839 2.524 1.00 . B A . 11 CYS HB3 1 1 8 6391 2 2 11 CYS N N -6.615 -6.405 1.266 1.00 . B A . 11 CYS N 1 1 8 6392 2 2 11 CYS O O -6.990 -9.536 2.860 1.00 . B A . 11 CYS O 1 1 8 6393 2 2 11 CYS SG S -8.486 -7.089 4.811 1.00 . B A . 11 CYS SG 1 1 8 6394 2 2 12 HIS C C -6.949 -10.866 -0.193 1.00 . B A . 12 HIS C 1 1 8 6395 2 2 12 HIS CA C -8.136 -10.216 0.451 1.00 . B A . 12 HIS CA 1 1 8 6396 2 2 12 HIS CB C -9.304 -10.253 -0.558 1.00 . B A . 12 HIS CB 1 1 8 6397 2 2 12 HIS CD2 C -11.015 -8.582 0.278 1.00 . B A . 12 HIS CD2 1 1 8 6398 2 2 12 HIS CE1 C -12.688 -9.865 0.704 1.00 . B A . 12 HIS CE1 1 1 8 6399 2 2 12 HIS CG C -10.620 -9.806 -0.020 1.00 . B A . 12 HIS CG 1 1 8 6400 2 2 12 HIS H H -8.019 -8.090 0.290 1.00 . B A . 12 HIS H 1 1 8 6401 2 2 12 HIS HA H -8.424 -10.785 1.321 1.00 . B A . 12 HIS HA 1 1 8 6402 2 2 12 HIS HB2 H -9.054 -9.591 -1.375 1.00 . B A . 12 HIS HB2 1 1 8 6403 2 2 12 HIS HB3 H -9.395 -11.254 -0.948 1.00 . B A . 12 HIS HB3 1 1 8 6404 2 2 12 HIS HD1 H -11.727 -11.602 0.126 1.00 . B A . 12 HIS HD1 1 1 8 6405 2 2 12 HIS HD2 H -10.354 -7.738 0.137 1.00 . B A . 12 HIS HD2 1 1 8 6406 2 2 12 HIS HE1 H -13.658 -10.236 1.000 1.00 . B A . 12 HIS HE1 1 1 8 6407 2 2 12 HIS N N -7.821 -8.853 0.881 1.00 . B A . 12 HIS N 1 1 8 6408 2 2 12 HIS ND1 N -11.689 -10.628 0.251 1.00 . B A . 12 HIS ND1 1 1 8 6409 2 2 12 HIS NE2 N -12.323 -8.596 0.743 1.00 . B A . 12 HIS NE2 1 1 8 6410 2 2 12 HIS O O -6.462 -11.905 0.249 1.00 . B A . 12 HIS O 1 1 8 6411 2 2 13 VAL C C -4.108 -10.168 -1.824 1.00 . B A . 13 VAL C 1 1 8 6412 2 2 13 VAL CA C -5.484 -10.808 -2.062 1.00 . B A . 13 VAL CA 1 1 8 6413 2 2 13 VAL CB C -5.964 -10.681 -3.537 1.00 . B A . 13 VAL CB 1 1 8 6414 2 2 13 VAL CG1 C -5.299 -9.587 -4.367 1.00 . B A . 13 VAL CG1 1 1 8 6415 2 2 13 VAL CG2 C -5.986 -12.003 -4.217 1.00 . B A . 13 VAL CG2 1 1 8 6416 2 2 13 VAL H H -6.833 -9.350 -1.428 1.00 . B A . 13 VAL H 1 1 8 6417 2 2 13 VAL HA H -5.419 -11.860 -1.827 1.00 . B A . 13 VAL HA 1 1 8 6418 2 2 13 VAL HB H -6.990 -10.359 -3.446 1.00 . B A . 13 VAL HB 1 1 8 6419 2 2 13 VAL HG11 H -5.501 -8.633 -3.903 1.00 . B A . 13 VAL HG11 1 1 8 6420 2 2 13 VAL HG12 H -5.705 -9.594 -5.368 1.00 . B A . 13 VAL HG12 1 1 8 6421 2 2 13 VAL HG13 H -4.233 -9.756 -4.401 1.00 . B A . 13 VAL HG13 1 1 8 6422 2 2 13 VAL HG21 H -6.688 -12.614 -3.669 1.00 . B A . 13 VAL HG21 1 1 8 6423 2 2 13 VAL HG22 H -5.004 -12.451 -4.199 1.00 . B A . 13 VAL HG22 1 1 8 6424 2 2 13 VAL HG23 H -6.334 -11.858 -5.226 1.00 . B A . 13 VAL HG23 1 1 8 6425 2 2 13 VAL N N -6.483 -10.243 -1.222 1.00 . B A . 13 VAL N 1 1 8 6426 2 2 13 VAL O O -3.090 -10.855 -1.796 1.00 . B A . 13 VAL O 1 1 8 6427 2 2 14 GLY C C -2.697 -7.073 -2.410 1.00 . B A . 14 GLY C 1 1 8 6428 2 2 14 GLY CA C -2.872 -8.168 -1.400 1.00 . B A . 14 GLY CA 1 1 8 6429 2 2 14 GLY H H -4.949 -8.393 -1.671 1.00 . B A . 14 GLY H 1 1 8 6430 2 2 14 GLY HA2 H -2.872 -7.738 -0.409 1.00 . B A . 14 GLY HA2 1 1 8 6431 2 2 14 GLY HA3 H -2.041 -8.843 -1.480 1.00 . B A . 14 GLY HA3 1 1 8 6432 2 2 14 GLY N N -4.097 -8.882 -1.622 1.00 . B A . 14 GLY N 1 1 8 6433 2 2 14 GLY O O -3.468 -6.981 -3.366 1.00 . B A . 14 GLY O 1 1 8 6434 2 2 15 CYS C C -0.033 -4.877 -3.219 1.00 . B A . 15 CYS C 1 1 8 6435 2 2 15 CYS CA C -1.498 -5.141 -3.094 1.00 . B A . 15 CYS CA 1 1 8 6436 2 2 15 CYS CB C -2.195 -3.892 -2.584 1.00 . B A . 15 CYS CB 1 1 8 6437 2 2 15 CYS H H -1.149 -6.336 -1.419 1.00 . B A . 15 CYS H 1 1 8 6438 2 2 15 CYS HA H -1.910 -5.392 -4.058 1.00 . B A . 15 CYS HA 1 1 8 6439 2 2 15 CYS HB2 H -1.962 -3.085 -3.264 1.00 . B A . 15 CYS HB2 1 1 8 6440 2 2 15 CYS HB3 H -3.258 -4.062 -2.603 1.00 . B A . 15 CYS HB3 1 1 8 6441 2 2 15 CYS N N -1.734 -6.238 -2.206 1.00 . B A . 15 CYS N 1 1 8 6442 2 2 15 CYS O O 0.759 -5.273 -2.358 1.00 . B A . 15 CYS O 1 1 8 6443 2 2 15 CYS SG S -1.692 -3.355 -0.897 1.00 . B A . 15 CYS SG 1 1 8 6444 2 2 16 THR C C 1.972 -2.569 -3.810 1.00 . B A . 16 THR C 1 1 8 6445 2 2 16 THR CA C 1.675 -3.882 -4.485 1.00 . B A . 16 THR CA 1 1 8 6446 2 2 16 THR CB C 2.014 -3.835 -5.988 1.00 . B A . 16 THR CB 1 1 8 6447 2 2 16 THR CG2 C 2.133 -5.240 -6.561 1.00 . B A . 16 THR CG2 1 1 8 6448 2 2 16 THR H H -0.329 -3.946 -4.932 1.00 . B A . 16 THR H 1 1 8 6449 2 2 16 THR HA H 2.281 -4.641 -4.021 1.00 . B A . 16 THR HA 1 1 8 6450 2 2 16 THR HB H 2.958 -3.324 -6.104 1.00 . B A . 16 THR HB 1 1 8 6451 2 2 16 THR HG1 H 0.468 -3.727 -7.204 1.00 . B A . 16 THR HG1 1 1 8 6452 2 2 16 THR HG21 H 2.364 -5.180 -7.615 1.00 . B A . 16 THR HG21 1 1 8 6453 2 2 16 THR HG22 H 1.201 -5.767 -6.424 1.00 . B A . 16 THR HG22 1 1 8 6454 2 2 16 THR HG23 H 2.927 -5.766 -6.052 1.00 . B A . 16 THR HG23 1 1 8 6455 2 2 16 THR N N 0.335 -4.229 -4.270 1.00 . B A . 16 THR N 1 1 8 6456 2 2 16 THR O O 1.126 -1.691 -3.758 1.00 . B A . 16 THR O 1 1 8 6457 2 2 16 THR OG1 O 1.003 -3.099 -6.699 1.00 . B A . 16 THR OG1 1 1 8 6458 2 2 17 LYS C C 3.604 -0.082 -3.577 1.00 . B A . 17 LYS C 1 1 8 6459 2 2 17 LYS CA C 3.619 -1.243 -2.587 1.00 . B A . 17 LYS CA 1 1 8 6460 2 2 17 LYS CB C 5.032 -1.503 -2.043 1.00 . B A . 17 LYS CB 1 1 8 6461 2 2 17 LYS CD C 4.603 -1.553 0.412 1.00 . B A . 17 LYS CD 1 1 8 6462 2 2 17 LYS CE C 5.130 -1.138 1.768 1.00 . B A . 17 LYS CE 1 1 8 6463 2 2 17 LYS CG C 5.376 -0.887 -0.710 1.00 . B A . 17 LYS CG 1 1 8 6464 2 2 17 LYS H H 3.739 -3.235 -3.405 1.00 . B A . 17 LYS H 1 1 8 6465 2 2 17 LYS HA H 2.939 -0.981 -1.785 1.00 . B A . 17 LYS HA 1 1 8 6466 2 2 17 LYS HB2 H 5.097 -2.568 -1.906 1.00 . B A . 17 LYS HB2 1 1 8 6467 2 2 17 LYS HB3 H 5.801 -1.210 -2.744 1.00 . B A . 17 LYS HB3 1 1 8 6468 2 2 17 LYS HD2 H 3.561 -1.278 0.341 1.00 . B A . 17 LYS HD2 1 1 8 6469 2 2 17 LYS HD3 H 4.702 -2.623 0.312 1.00 . B A . 17 LYS HD3 1 1 8 6470 2 2 17 LYS HE2 H 5.063 -0.063 1.840 1.00 . B A . 17 LYS HE2 1 1 8 6471 2 2 17 LYS HE3 H 4.524 -1.592 2.537 1.00 . B A . 17 LYS HE3 1 1 8 6472 2 2 17 LYS HG2 H 6.432 -1.033 -0.535 1.00 . B A . 17 LYS HG2 1 1 8 6473 2 2 17 LYS HG3 H 5.148 0.168 -0.732 1.00 . B A . 17 LYS HG3 1 1 8 6474 2 2 17 LYS HZ1 H 6.862 -1.337 2.924 1.00 . B A . 17 LYS HZ1 1 1 8 6475 2 2 17 LYS HZ2 H 7.176 -1.078 1.275 1.00 . B A . 17 LYS HZ2 1 1 8 6476 2 2 17 LYS HZ3 H 6.647 -2.575 1.787 1.00 . B A . 17 LYS HZ3 1 1 8 6477 2 2 17 LYS N N 3.160 -2.447 -3.296 1.00 . B A . 17 LYS N 1 1 8 6478 2 2 17 LYS NZ N 6.546 -1.545 1.955 1.00 . B A . 17 LYS NZ 1 1 8 6479 2 2 17 LYS O O 3.276 1.041 -3.225 1.00 . B A . 17 LYS O 1 1 8 6480 2 2 18 ARG C C 2.369 1.057 -6.097 1.00 . B A . 18 ARG C 1 1 8 6481 2 2 18 ARG CA C 3.793 0.539 -5.955 1.00 . B A . 18 ARG CA 1 1 8 6482 2 2 18 ARG CB C 4.195 -0.125 -7.273 1.00 . B A . 18 ARG CB 1 1 8 6483 2 2 18 ARG CD C 6.034 1.463 -7.868 1.00 . B A . 18 ARG CD 1 1 8 6484 2 2 18 ARG CG C 5.654 -0.001 -7.664 1.00 . B A . 18 ARG CG 1 1 8 6485 2 2 18 ARG CZ C 4.790 3.480 -8.686 1.00 . B A . 18 ARG CZ 1 1 8 6486 2 2 18 ARG H H 4.257 -1.302 -5.011 1.00 . B A . 18 ARG H 1 1 8 6487 2 2 18 ARG HA H 4.456 1.368 -5.771 1.00 . B A . 18 ARG HA 1 1 8 6488 2 2 18 ARG HB2 H 3.963 -1.176 -7.204 1.00 . B A . 18 ARG HB2 1 1 8 6489 2 2 18 ARG HB3 H 3.596 0.308 -8.061 1.00 . B A . 18 ARG HB3 1 1 8 6490 2 2 18 ARG HD2 H 6.039 1.976 -6.918 1.00 . B A . 18 ARG HD2 1 1 8 6491 2 2 18 ARG HD3 H 7.025 1.500 -8.295 1.00 . B A . 18 ARG HD3 1 1 8 6492 2 2 18 ARG HE H 4.719 1.614 -9.487 1.00 . B A . 18 ARG HE 1 1 8 6493 2 2 18 ARG HG2 H 6.265 -0.427 -6.883 1.00 . B A . 18 ARG HG2 1 1 8 6494 2 2 18 ARG HG3 H 5.816 -0.539 -8.587 1.00 . B A . 18 ARG HG3 1 1 8 6495 2 2 18 ARG HH11 H 5.968 3.887 -7.045 1.00 . B A . 18 ARG HH11 1 1 8 6496 2 2 18 ARG HH12 H 5.113 5.228 -7.637 1.00 . B A . 18 ARG HH12 1 1 8 6497 2 2 18 ARG HH21 H 3.532 3.467 -10.297 1.00 . B A . 18 ARG HH21 1 1 8 6498 2 2 18 ARG HH22 H 3.703 4.990 -9.537 1.00 . B A . 18 ARG HH22 1 1 8 6499 2 2 18 ARG N N 3.912 -0.400 -4.838 1.00 . B A . 18 ARG N 1 1 8 6500 2 2 18 ARG NE N 5.109 2.169 -8.773 1.00 . B A . 18 ARG NE 1 1 8 6501 2 2 18 ARG NH1 N 5.324 4.249 -7.723 1.00 . B A . 18 ARG NH1 1 1 8 6502 2 2 18 ARG NH2 N 3.946 4.014 -9.565 1.00 . B A . 18 ARG NH2 1 1 8 6503 2 2 18 ARG O O 2.156 2.196 -6.484 1.00 . B A . 18 ARG O 1 1 8 6504 2 2 19 SER C C -0.351 1.563 -4.803 1.00 . B A . 19 SER C 1 1 8 6505 2 2 19 SER CA C 0.028 0.561 -5.871 1.00 . B A . 19 SER CA 1 1 8 6506 2 2 19 SER CB C -0.840 -0.714 -5.802 1.00 . B A . 19 SER CB 1 1 8 6507 2 2 19 SER H H 1.650 -0.633 -5.347 1.00 . B A . 19 SER H 1 1 8 6508 2 2 19 SER HA H -0.108 1.025 -6.837 1.00 . B A . 19 SER HA 1 1 8 6509 2 2 19 SER HB2 H -0.549 -1.350 -6.624 1.00 . B A . 19 SER HB2 1 1 8 6510 2 2 19 SER HB3 H -0.644 -1.251 -4.883 1.00 . B A . 19 SER HB3 1 1 8 6511 2 2 19 SER HG H -2.665 -0.758 -5.134 1.00 . B A . 19 SER HG 1 1 8 6512 2 2 19 SER N N 1.414 0.230 -5.745 1.00 . B A . 19 SER N 1 1 8 6513 2 2 19 SER O O -0.927 2.603 -5.106 1.00 . B A . 19 SER O 1 1 8 6514 2 2 19 SER OG O -2.225 -0.433 -5.924 1.00 . B A . 19 SER OG 1 1 8 6515 2 2 20 LEU C C 0.475 3.529 -2.698 1.00 . B A . 20 LEU C 1 1 8 6516 2 2 20 LEU CA C -0.300 2.253 -2.493 1.00 . B A . 20 LEU CA 1 1 8 6517 2 2 20 LEU CB C -0.107 1.747 -1.032 1.00 . B A . 20 LEU CB 1 1 8 6518 2 2 20 LEU CD1 C 0.521 -0.670 -1.040 1.00 . B A . 20 LEU CD1 1 1 8 6519 2 2 20 LEU CD2 C -0.828 0.197 0.804 1.00 . B A . 20 LEU CD2 1 1 8 6520 2 2 20 LEU CG C -0.536 0.316 -0.669 1.00 . B A . 20 LEU CG 1 1 8 6521 2 2 20 LEU H H 0.548 0.485 -3.378 1.00 . B A . 20 LEU H 1 1 8 6522 2 2 20 LEU HA H -1.331 2.520 -2.659 1.00 . B A . 20 LEU HA 1 1 8 6523 2 2 20 LEU HB2 H 0.890 1.934 -0.666 1.00 . B A . 20 LEU HB2 1 1 8 6524 2 2 20 LEU HB3 H -0.750 2.395 -0.460 1.00 . B A . 20 LEU HB3 1 1 8 6525 2 2 20 LEU HD11 H 0.740 -0.610 -2.095 1.00 . B A . 20 LEU HD11 1 1 8 6526 2 2 20 LEU HD12 H 0.164 -1.663 -0.813 1.00 . B A . 20 LEU HD12 1 1 8 6527 2 2 20 LEU HD13 H 1.414 -0.466 -0.469 1.00 . B A . 20 LEU HD13 1 1 8 6528 2 2 20 LEU HD21 H -1.109 -0.822 1.025 1.00 . B A . 20 LEU HD21 1 1 8 6529 2 2 20 LEU HD22 H -1.626 0.871 1.080 1.00 . B A . 20 LEU HD22 1 1 8 6530 2 2 20 LEU HD23 H 0.075 0.441 1.345 1.00 . B A . 20 LEU HD23 1 1 8 6531 2 2 20 LEU HG H -1.435 0.065 -1.210 1.00 . B A . 20 LEU HG 1 1 8 6532 2 2 20 LEU N N 0.042 1.306 -3.552 1.00 . B A . 20 LEU N 1 1 8 6533 2 2 20 LEU O O 0.026 4.597 -2.327 1.00 . B A . 20 LEU O 1 1 8 6534 2 2 21 ALA C C 1.788 5.419 -4.720 1.00 . B A . 21 ALA C 1 1 8 6535 2 2 21 ALA CA C 2.458 4.553 -3.670 1.00 . B A . 21 ALA CA 1 1 8 6536 2 2 21 ALA CB C 3.828 4.109 -4.163 1.00 . B A . 21 ALA CB 1 1 8 6537 2 2 21 ALA H H 1.898 2.483 -3.554 1.00 . B A . 21 ALA H 1 1 8 6538 2 2 21 ALA HA H 2.579 5.145 -2.779 1.00 . B A . 21 ALA HA 1 1 8 6539 2 2 21 ALA HB1 H 3.715 3.593 -5.106 1.00 . B A . 21 ALA HB1 1 1 8 6540 2 2 21 ALA HB2 H 4.273 3.430 -3.449 1.00 . B A . 21 ALA HB2 1 1 8 6541 2 2 21 ALA HB3 H 4.467 4.969 -4.297 1.00 . B A . 21 ALA HB3 1 1 8 6542 2 2 21 ALA N N 1.620 3.401 -3.334 1.00 . B A . 21 ALA N 1 1 8 6543 2 2 21 ALA O O 1.805 6.647 -4.636 1.00 . B A . 21 ALA O 1 1 8 6544 2 2 22 ARG C C -0.724 6.194 -6.306 1.00 . B A . 22 ARG C 1 1 8 6545 2 2 22 ARG CA C 0.501 5.418 -6.791 1.00 . B A . 22 ARG CA 1 1 8 6546 2 2 22 ARG CB C 0.094 4.361 -7.835 1.00 . B A . 22 ARG CB 1 1 8 6547 2 2 22 ARG CD C 0.216 5.857 -9.865 1.00 . B A . 22 ARG CD 1 1 8 6548 2 2 22 ARG CG C -0.643 4.899 -9.050 1.00 . B A . 22 ARG CG 1 1 8 6549 2 2 22 ARG CZ C 0.027 7.089 -12.026 1.00 . B A . 22 ARG CZ 1 1 8 6550 2 2 22 ARG H H 1.163 3.782 -5.639 1.00 . B A . 22 ARG H 1 1 8 6551 2 2 22 ARG HA H 1.197 6.105 -7.246 1.00 . B A . 22 ARG HA 1 1 8 6552 2 2 22 ARG HB2 H 0.987 3.862 -8.182 1.00 . B A . 22 ARG HB2 1 1 8 6553 2 2 22 ARG HB3 H -0.538 3.632 -7.349 1.00 . B A . 22 ARG HB3 1 1 8 6554 2 2 22 ARG HD2 H 0.464 6.709 -9.252 1.00 . B A . 22 ARG HD2 1 1 8 6555 2 2 22 ARG HD3 H 1.121 5.350 -10.168 1.00 . B A . 22 ARG HD3 1 1 8 6556 2 2 22 ARG HE H -1.426 6.028 -11.113 1.00 . B A . 22 ARG HE 1 1 8 6557 2 2 22 ARG HG2 H -0.952 4.075 -9.677 1.00 . B A . 22 ARG HG2 1 1 8 6558 2 2 22 ARG HG3 H -1.511 5.427 -8.683 1.00 . B A . 22 ARG HG3 1 1 8 6559 2 2 22 ARG HH11 H 1.911 7.296 -11.209 1.00 . B A . 22 ARG HH11 1 1 8 6560 2 2 22 ARG HH12 H 1.669 8.095 -12.692 1.00 . B A . 22 ARG HH12 1 1 8 6561 2 2 22 ARG HH21 H -1.677 7.109 -13.172 1.00 . B A . 22 ARG HH21 1 1 8 6562 2 2 22 ARG HH22 H -0.363 7.981 -13.818 1.00 . B A . 22 ARG HH22 1 1 8 6563 2 2 22 ARG N N 1.170 4.764 -5.678 1.00 . B A . 22 ARG N 1 1 8 6564 2 2 22 ARG NE N -0.490 6.327 -11.054 1.00 . B A . 22 ARG NE 1 1 8 6565 2 2 22 ARG NH1 N 1.289 7.517 -11.965 1.00 . B A . 22 ARG NH1 1 1 8 6566 2 2 22 ARG NH2 N -0.724 7.414 -13.071 1.00 . B A . 22 ARG NH2 1 1 8 6567 2 2 22 ARG O O -1.123 7.192 -6.903 1.00 . B A . 22 ARG O 1 1 8 6568 2 2 23 PHE C C -2.125 7.369 -3.612 1.00 . B A . 23 PHE C 1 1 8 6569 2 2 23 PHE CA C -2.475 6.389 -4.695 1.00 . B A . 23 PHE CA 1 1 8 6570 2 2 23 PHE CB C -3.507 5.376 -4.200 1.00 . B A . 23 PHE CB 1 1 8 6571 2 2 23 PHE CD1 C -4.845 5.117 -6.296 1.00 . B A . 23 PHE CD1 1 1 8 6572 2 2 23 PHE CD2 C -3.859 3.176 -5.350 1.00 . B A . 23 PHE CD2 1 1 8 6573 2 2 23 PHE CE1 C -5.363 4.358 -7.317 1.00 . B A . 23 PHE CE1 1 1 8 6574 2 2 23 PHE CE2 C -4.375 2.407 -6.369 1.00 . B A . 23 PHE CE2 1 1 8 6575 2 2 23 PHE CG C -4.087 4.537 -5.300 1.00 . B A . 23 PHE CG 1 1 8 6576 2 2 23 PHE CZ C -5.129 2.998 -7.356 1.00 . B A . 23 PHE CZ 1 1 8 6577 2 2 23 PHE H H -0.891 4.956 -4.803 1.00 . B A . 23 PHE H 1 1 8 6578 2 2 23 PHE HA H -2.912 6.952 -5.501 1.00 . B A . 23 PHE HA 1 1 8 6579 2 2 23 PHE HB2 H -3.027 4.716 -3.492 1.00 . B A . 23 PHE HB2 1 1 8 6580 2 2 23 PHE HB3 H -4.306 5.905 -3.706 1.00 . B A . 23 PHE HB3 1 1 8 6581 2 2 23 PHE HD1 H -5.030 6.180 -6.268 1.00 . B A . 23 PHE HD1 1 1 8 6582 2 2 23 PHE HD2 H -3.263 2.712 -4.577 1.00 . B A . 23 PHE HD2 1 1 8 6583 2 2 23 PHE HE1 H -5.955 4.830 -8.087 1.00 . B A . 23 PHE HE1 1 1 8 6584 2 2 23 PHE HE2 H -4.185 1.344 -6.392 1.00 . B A . 23 PHE HE2 1 1 8 6585 2 2 23 PHE HZ H -5.535 2.400 -8.159 1.00 . B A . 23 PHE HZ 1 1 8 6586 2 2 23 PHE N N -1.299 5.741 -5.228 1.00 . B A . 23 PHE N 1 1 8 6587 2 2 23 PHE O O -2.546 8.533 -3.649 1.00 . B A . 23 PHE O 1 1 8 6588 2 2 24 CYS C C -2.093 7.926 -0.583 1.00 . B A . 24 CYS C 1 1 8 6589 2 2 24 CYS CA C -0.913 7.642 -1.507 1.00 . B A . 24 CYS CA 1 1 8 6590 2 2 24 CYS CB C -0.154 8.928 -1.882 1.00 . B A . 24 CYS CB 1 1 8 6591 2 2 24 CYS H H -1.037 5.971 -2.792 1.00 . B A . 24 CYS H 1 1 8 6592 2 2 24 CYS HA H -0.245 6.984 -0.969 1.00 . B A . 24 CYS HA 1 1 8 6593 2 2 24 CYS HB2 H 0.700 8.672 -2.491 1.00 . B A . 24 CYS HB2 1 1 8 6594 2 2 24 CYS HB3 H -0.814 9.568 -2.449 1.00 . B A . 24 CYS HB3 1 1 8 6595 2 2 24 CYS N N -1.346 6.896 -2.680 1.00 . B A . 24 CYS N 1 1 8 6596 2 2 24 CYS O O -2.880 8.852 -0.810 1.00 . B A . 24 CYS O 1 1 8 6597 2 2 24 CYS SG S 0.452 9.879 -0.454 1.00 . B A . 24 CYS SG 1 1 8 6598 2 2 25 NH2 HN1 H -1.591 6.383 0.532 1.00 . B A . 25 NH2 HN1 1 1 8 6599 2 2 25 NH2 HN2 H -3.047 7.199 0.986 1.00 . B A . 25 NH2 HN2 1 1 8 6600 2 2 25 NH2 N N -2.259 7.089 0.412 1.00 . B A . 25 NH2 N 1 1 9 6601 1 1 1 ASP C C 13.086 0.713 -4.308 1.00 . A B . 1 ASP C 1 1 9 6602 1 1 1 ASP CA C 13.587 2.129 -4.229 1.00 . A B . 1 ASP CA 1 1 9 6603 1 1 1 ASP CB C 14.035 2.518 -5.618 1.00 . A B . 1 ASP CB 1 1 9 6604 1 1 1 ASP CG C 15.041 1.567 -6.194 1.00 . A B . 1 ASP CG 1 1 9 6605 1 1 1 ASP H1 H 15.524 1.749 -3.601 1.00 . A B . 1 ASP H1 1 1 9 6606 1 1 1 ASP H2 H 14.421 1.857 -2.338 1.00 . A B . 1 ASP H2 1 1 9 6607 1 1 1 ASP H3 H 14.941 3.260 -3.144 1.00 . A B . 1 ASP H3 1 1 9 6608 1 1 1 ASP HA H 12.761 2.761 -3.940 1.00 . A B . 1 ASP HA 1 1 9 6609 1 1 1 ASP HB2 H 13.150 2.377 -6.210 1.00 . A B . 1 ASP HB2 1 1 9 6610 1 1 1 ASP HB3 H 14.401 3.533 -5.659 1.00 . A B . 1 ASP HB3 1 1 9 6611 1 1 1 ASP N N 14.684 2.258 -3.259 1.00 . A B . 1 ASP N 1 1 9 6612 1 1 1 ASP O O 11.962 0.493 -4.711 1.00 . A B . 1 ASP O 1 1 9 6613 1 1 1 ASP OD1 O 16.191 1.575 -5.747 1.00 . A B . 1 ASP OD1 1 1 9 6614 1 1 1 ASP OD2 O 14.681 0.775 -7.080 1.00 . A B . 1 ASP OD2 1 1 9 6615 1 1 2 SER C C 12.273 -2.052 -3.248 1.00 . A B . 2 SER C 1 1 9 6616 1 1 2 SER CA C 13.587 -1.686 -3.956 1.00 . A B . 2 SER CA 1 1 9 6617 1 1 2 SER CB C 14.770 -2.519 -3.468 1.00 . A B . 2 SER CB 1 1 9 6618 1 1 2 SER H H 14.823 0.009 -3.660 1.00 . A B . 2 SER H 1 1 9 6619 1 1 2 SER HA H 13.412 -1.908 -4.989 1.00 . A B . 2 SER HA 1 1 9 6620 1 1 2 SER HB2 H 15.002 -2.248 -2.449 1.00 . A B . 2 SER HB2 1 1 9 6621 1 1 2 SER HB3 H 14.524 -3.570 -3.516 1.00 . A B . 2 SER HB3 1 1 9 6622 1 1 2 SER HG H 15.678 -2.594 -5.167 1.00 . A B . 2 SER HG 1 1 9 6623 1 1 2 SER N N 13.916 -0.245 -3.926 1.00 . A B . 2 SER N 1 1 9 6624 1 1 2 SER O O 11.673 -3.086 -3.516 1.00 . A B . 2 SER O 1 1 9 6625 1 1 2 SER OG O 15.915 -2.275 -4.284 1.00 . A B . 2 SER OG 1 1 9 6626 1 1 3 TRP C C 9.350 -1.202 -2.724 1.00 . A B . 3 TRP C 1 1 9 6627 1 1 3 TRP CA C 10.531 -1.295 -1.738 1.00 . A B . 3 TRP CA 1 1 9 6628 1 1 3 TRP CB C 10.377 -0.233 -0.610 1.00 . A B . 3 TRP CB 1 1 9 6629 1 1 3 TRP CD1 C 11.773 1.933 -0.627 1.00 . A B . 3 TRP CD1 1 1 9 6630 1 1 3 TRP CD2 C 9.927 2.064 -1.866 1.00 . A B . 3 TRP CD2 1 1 9 6631 1 1 3 TRP CE2 C 10.615 3.283 -1.955 1.00 . A B . 3 TRP CE2 1 1 9 6632 1 1 3 TRP CE3 C 8.741 1.921 -2.561 1.00 . A B . 3 TRP CE3 1 1 9 6633 1 1 3 TRP CG C 10.693 1.200 -1.012 1.00 . A B . 3 TRP CG 1 1 9 6634 1 1 3 TRP CH2 C 8.983 4.167 -3.384 1.00 . A B . 3 TRP CH2 1 1 9 6635 1 1 3 TRP CZ2 C 10.149 4.347 -2.713 1.00 . A B . 3 TRP CZ2 1 1 9 6636 1 1 3 TRP CZ3 C 8.283 2.959 -3.308 1.00 . A B . 3 TRP CZ3 1 1 9 6637 1 1 3 TRP H H 12.422 -0.408 -2.321 1.00 . A B . 3 TRP H 1 1 9 6638 1 1 3 TRP HA H 10.510 -2.278 -1.290 1.00 . A B . 3 TRP HA 1 1 9 6639 1 1 3 TRP HB2 H 9.355 -0.247 -0.264 1.00 . A B . 3 TRP HB2 1 1 9 6640 1 1 3 TRP HB3 H 11.022 -0.502 0.213 1.00 . A B . 3 TRP HB3 1 1 9 6641 1 1 3 TRP HD1 H 12.552 1.578 0.030 1.00 . A B . 3 TRP HD1 1 1 9 6642 1 1 3 TRP HE1 H 12.393 3.894 -1.086 1.00 . A B . 3 TRP HE1 1 1 9 6643 1 1 3 TRP HE3 H 8.181 0.998 -2.518 1.00 . A B . 3 TRP HE3 1 1 9 6644 1 1 3 TRP HH2 H 8.577 4.963 -3.991 1.00 . A B . 3 TRP HH2 1 1 9 6645 1 1 3 TRP HZ2 H 10.684 5.283 -2.775 1.00 . A B . 3 TRP HZ2 1 1 9 6646 1 1 3 TRP HZ3 H 7.357 2.824 -3.845 1.00 . A B . 3 TRP HZ3 1 1 9 6647 1 1 3 TRP N N 11.818 -1.169 -2.427 1.00 . A B . 3 TRP N 1 1 9 6648 1 1 3 TRP NE1 N 11.733 3.176 -1.198 1.00 . A B . 3 TRP NE1 1 1 9 6649 1 1 3 TRP O O 8.217 -1.446 -2.368 1.00 . A B . 3 TRP O 1 1 9 6650 1 1 4 MET C C 8.025 -2.014 -5.370 1.00 . A B . 4 MET C 1 1 9 6651 1 1 4 MET CA C 8.611 -0.664 -4.983 1.00 . A B . 4 MET CA 1 1 9 6652 1 1 4 MET CB C 9.172 0.053 -6.233 1.00 . A B . 4 MET CB 1 1 9 6653 1 1 4 MET CE C 12.059 -1.069 -9.010 1.00 . A B . 4 MET CE 1 1 9 6654 1 1 4 MET CG C 10.243 -0.726 -6.979 1.00 . A B . 4 MET CG 1 1 9 6655 1 1 4 MET H H 10.569 -0.594 -4.171 1.00 . A B . 4 MET H 1 1 9 6656 1 1 4 MET HA H 7.823 -0.056 -4.563 1.00 . A B . 4 MET HA 1 1 9 6657 1 1 4 MET HB2 H 8.360 0.243 -6.918 1.00 . A B . 4 MET HB2 1 1 9 6658 1 1 4 MET HB3 H 9.594 0.998 -5.926 1.00 . A B . 4 MET HB3 1 1 9 6659 1 1 4 MET HE1 H 11.546 -1.993 -9.231 1.00 . A B . 4 MET HE1 1 1 9 6660 1 1 4 MET HE2 H 12.806 -1.246 -8.249 1.00 . A B . 4 MET HE2 1 1 9 6661 1 1 4 MET HE3 H 12.535 -0.698 -9.906 1.00 . A B . 4 MET HE3 1 1 9 6662 1 1 4 MET HG2 H 11.062 -0.931 -6.307 1.00 . A B . 4 MET HG2 1 1 9 6663 1 1 4 MET HG3 H 9.801 -1.657 -7.303 1.00 . A B . 4 MET HG3 1 1 9 6664 1 1 4 MET N N 9.635 -0.813 -3.958 1.00 . A B . 4 MET N 1 1 9 6665 1 1 4 MET O O 6.840 -2.119 -5.669 1.00 . A B . 4 MET O 1 1 9 6666 1 1 4 MET SD S 10.880 0.140 -8.417 1.00 . A B . 4 MET SD 1 1 9 6667 1 1 5 GLU C C 7.959 -5.180 -4.493 1.00 . A B . 5 GLU C 1 1 9 6668 1 1 5 GLU CA C 8.464 -4.386 -5.693 1.00 . A B . 5 GLU CA 1 1 9 6669 1 1 5 GLU CB C 9.650 -5.102 -6.368 1.00 . A B . 5 GLU CB 1 1 9 6670 1 1 5 GLU CD C 11.256 -5.128 -8.338 1.00 . A B . 5 GLU CD 1 1 9 6671 1 1 5 GLU CG C 10.195 -4.363 -7.585 1.00 . A B . 5 GLU CG 1 1 9 6672 1 1 5 GLU H H 9.746 -2.922 -4.905 1.00 . A B . 5 GLU H 1 1 9 6673 1 1 5 GLU HA H 7.660 -4.289 -6.407 1.00 . A B . 5 GLU HA 1 1 9 6674 1 1 5 GLU HB2 H 10.448 -5.204 -5.648 1.00 . A B . 5 GLU HB2 1 1 9 6675 1 1 5 GLU HB3 H 9.333 -6.087 -6.679 1.00 . A B . 5 GLU HB3 1 1 9 6676 1 1 5 GLU HG2 H 9.385 -4.148 -8.265 1.00 . A B . 5 GLU HG2 1 1 9 6677 1 1 5 GLU HG3 H 10.628 -3.436 -7.242 1.00 . A B . 5 GLU HG3 1 1 9 6678 1 1 5 GLU N N 8.850 -3.047 -5.283 1.00 . A B . 5 GLU N 1 1 9 6679 1 1 5 GLU O O 7.852 -6.408 -4.537 1.00 . A B . 5 GLU O 1 1 9 6680 1 1 5 GLU OE1 O 12.442 -5.059 -7.970 1.00 . A B . 5 GLU OE1 1 1 9 6681 1 1 5 GLU OE2 O 10.928 -5.800 -9.342 1.00 . A B . 5 GLU OE2 1 1 9 6682 1 1 6 GLU C C 5.644 -5.233 -2.431 1.00 . A B . 6 GLU C 1 1 9 6683 1 1 6 GLU CA C 7.131 -5.034 -2.249 1.00 . A B . 6 GLU CA 1 1 9 6684 1 1 6 GLU CB C 7.368 -4.068 -1.097 1.00 . A B . 6 GLU CB 1 1 9 6685 1 1 6 GLU CD C 7.704 -3.657 1.365 1.00 . A B . 6 GLU CD 1 1 9 6686 1 1 6 GLU CG C 7.375 -4.678 0.295 1.00 . A B . 6 GLU CG 1 1 9 6687 1 1 6 GLU H H 7.653 -3.490 -3.484 1.00 . A B . 6 GLU H 1 1 9 6688 1 1 6 GLU HA H 7.632 -5.969 -2.053 1.00 . A B . 6 GLU HA 1 1 9 6689 1 1 6 GLU HB2 H 8.229 -3.438 -1.258 1.00 . A B . 6 GLU HB2 1 1 9 6690 1 1 6 GLU HB3 H 6.497 -3.432 -1.140 1.00 . A B . 6 GLU HB3 1 1 9 6691 1 1 6 GLU HG2 H 6.398 -5.094 0.499 1.00 . A B . 6 GLU HG2 1 1 9 6692 1 1 6 GLU HG3 H 8.113 -5.466 0.327 1.00 . A B . 6 GLU HG3 1 1 9 6693 1 1 6 GLU N N 7.617 -4.463 -3.447 1.00 . A B . 6 GLU N 1 1 9 6694 1 1 6 GLU O O 4.977 -4.458 -3.126 1.00 . A B . 6 GLU O 1 1 9 6695 1 1 6 GLU OE1 O 8.906 -3.462 1.686 1.00 . A B . 6 GLU OE1 1 1 9 6696 1 1 6 GLU OE2 O 6.780 -3.036 1.925 1.00 . A B . 6 GLU OE2 1 1 9 6697 1 1 7 VAL C C 3.342 -7.107 -0.511 1.00 . A B . 7 VAL C 1 1 9 6698 1 1 7 VAL CA C 3.765 -6.593 -1.868 1.00 . A B . 7 VAL CA 1 1 9 6699 1 1 7 VAL CB C 3.433 -7.628 -3.018 1.00 . A B . 7 VAL CB 1 1 9 6700 1 1 7 VAL CG1 C 4.314 -8.864 -2.952 1.00 . A B . 7 VAL CG1 1 1 9 6701 1 1 7 VAL CG2 C 1.953 -8.030 -3.000 1.00 . A B . 7 VAL CG2 1 1 9 6702 1 1 7 VAL H H 5.822 -6.693 -1.275 1.00 . A B . 7 VAL H 1 1 9 6703 1 1 7 VAL HA H 3.212 -5.682 -2.043 1.00 . A B . 7 VAL HA 1 1 9 6704 1 1 7 VAL HB H 3.634 -7.140 -3.960 1.00 . A B . 7 VAL HB 1 1 9 6705 1 1 7 VAL HG11 H 4.178 -9.350 -1.997 1.00 . A B . 7 VAL HG11 1 1 9 6706 1 1 7 VAL HG12 H 5.347 -8.571 -3.066 1.00 . A B . 7 VAL HG12 1 1 9 6707 1 1 7 VAL HG13 H 4.042 -9.545 -3.745 1.00 . A B . 7 VAL HG13 1 1 9 6708 1 1 7 VAL HG21 H 1.333 -7.156 -3.143 1.00 . A B . 7 VAL HG21 1 1 9 6709 1 1 7 VAL HG22 H 1.710 -8.480 -2.048 1.00 . A B . 7 VAL HG22 1 1 9 6710 1 1 7 VAL HG23 H 1.754 -8.741 -3.789 1.00 . A B . 7 VAL HG23 1 1 9 6711 1 1 7 VAL N N 5.162 -6.219 -1.821 1.00 . A B . 7 VAL N 1 1 9 6712 1 1 7 VAL O O 3.939 -8.047 0.043 1.00 . A B . 7 VAL O 1 1 9 6713 1 1 8 ILE C C 0.440 -7.163 1.398 1.00 . A B . 8 ILE C 1 1 9 6714 1 1 8 ILE CA C 1.917 -6.847 1.375 1.00 . A B . 8 ILE CA 1 1 9 6715 1 1 8 ILE CB C 2.244 -5.760 2.465 1.00 . A B . 8 ILE CB 1 1 9 6716 1 1 8 ILE CD1 C 1.820 -3.588 1.081 1.00 . A B . 8 ILE CD1 1 1 9 6717 1 1 8 ILE CG1 C 1.451 -4.429 2.291 1.00 . A B . 8 ILE CG1 1 1 9 6718 1 1 8 ILE CG2 C 3.740 -5.487 2.539 1.00 . A B . 8 ILE CG2 1 1 9 6719 1 1 8 ILE H H 1.854 -5.805 -0.457 1.00 . A B . 8 ILE H 1 1 9 6720 1 1 8 ILE HA H 2.449 -7.751 1.633 1.00 . A B . 8 ILE HA 1 1 9 6721 1 1 8 ILE HB H 1.980 -6.208 3.410 1.00 . A B . 8 ILE HB 1 1 9 6722 1 1 8 ILE HD11 H 1.594 -4.128 0.174 1.00 . A B . 8 ILE HD11 1 1 9 6723 1 1 8 ILE HD12 H 2.874 -3.354 1.115 1.00 . A B . 8 ILE HD12 1 1 9 6724 1 1 8 ILE HD13 H 1.254 -2.670 1.107 1.00 . A B . 8 ILE HD13 1 1 9 6725 1 1 8 ILE HG12 H 0.399 -4.662 2.204 1.00 . A B . 8 ILE HG12 1 1 9 6726 1 1 8 ILE HG13 H 1.596 -3.825 3.175 1.00 . A B . 8 ILE HG13 1 1 9 6727 1 1 8 ILE HG21 H 3.931 -4.742 3.298 1.00 . A B . 8 ILE HG21 1 1 9 6728 1 1 8 ILE HG22 H 4.085 -5.124 1.583 1.00 . A B . 8 ILE HG22 1 1 9 6729 1 1 8 ILE HG23 H 4.260 -6.399 2.788 1.00 . A B . 8 ILE HG23 1 1 9 6730 1 1 8 ILE N N 2.347 -6.491 0.049 1.00 . A B . 8 ILE N 1 1 9 6731 1 1 8 ILE O O -0.310 -6.748 0.503 1.00 . A B . 8 ILE O 1 1 9 6732 1 1 9 LYS C C -1.846 -7.637 3.868 1.00 . A B . 9 LYS C 1 1 9 6733 1 1 9 LYS CA C -1.354 -8.257 2.572 1.00 . A B . 9 LYS CA 1 1 9 6734 1 1 9 LYS CB C -1.542 -9.783 2.586 1.00 . A B . 9 LYS CB 1 1 9 6735 1 1 9 LYS CD C -3.080 -11.760 2.636 1.00 . A B . 9 LYS CD 1 1 9 6736 1 1 9 LYS CE C -4.494 -12.271 2.398 1.00 . A B . 9 LYS CE 1 1 9 6737 1 1 9 LYS CG C -2.993 -10.246 2.540 1.00 . A B . 9 LYS CG 1 1 9 6738 1 1 9 LYS H H 0.684 -8.213 3.067 1.00 . A B . 9 LYS H 1 1 9 6739 1 1 9 LYS HA H -1.909 -7.830 1.750 1.00 . A B . 9 LYS HA 1 1 9 6740 1 1 9 LYS HB2 H -1.029 -10.201 1.732 1.00 . A B . 9 LYS HB2 1 1 9 6741 1 1 9 LYS HB3 H -1.089 -10.174 3.485 1.00 . A B . 9 LYS HB3 1 1 9 6742 1 1 9 LYS HD2 H -2.425 -12.194 1.895 1.00 . A B . 9 LYS HD2 1 1 9 6743 1 1 9 LYS HD3 H -2.757 -12.063 3.621 1.00 . A B . 9 LYS HD3 1 1 9 6744 1 1 9 LYS HE2 H -4.801 -11.986 1.403 1.00 . A B . 9 LYS HE2 1 1 9 6745 1 1 9 LYS HE3 H -4.482 -13.349 2.467 1.00 . A B . 9 LYS HE3 1 1 9 6746 1 1 9 LYS HG2 H -3.531 -9.807 3.367 1.00 . A B . 9 LYS HG2 1 1 9 6747 1 1 9 LYS HG3 H -3.436 -9.924 1.609 1.00 . A B . 9 LYS HG3 1 1 9 6748 1 1 9 LYS HZ1 H -6.421 -12.143 3.171 1.00 . A B . 9 LYS HZ1 1 1 9 6749 1 1 9 LYS HZ2 H -5.557 -10.699 3.330 1.00 . A B . 9 LYS HZ2 1 1 9 6750 1 1 9 LYS HZ3 H -5.231 -12.018 4.335 1.00 . A B . 9 LYS HZ3 1 1 9 6751 1 1 9 LYS N N 0.030 -7.905 2.401 1.00 . A B . 9 LYS N 1 1 9 6752 1 1 9 LYS NZ N -5.485 -11.735 3.367 1.00 . A B . 9 LYS NZ 1 1 9 6753 1 1 9 LYS O O -1.919 -8.290 4.915 1.00 . A B . 9 LYS O 1 1 9 6754 1 1 10 LEU C C -3.898 -5.124 4.703 1.00 . A B . 10 LEU C 1 1 9 6755 1 1 10 LEU CA C -2.520 -5.587 4.951 1.00 . A B . 10 LEU CA 1 1 9 6756 1 1 10 LEU CB C -1.603 -4.392 5.261 1.00 . A B . 10 LEU CB 1 1 9 6757 1 1 10 LEU CD1 C 0.468 -5.771 5.688 1.00 . A B . 10 LEU CD1 1 1 9 6758 1 1 10 LEU CD2 C 0.428 -3.386 6.321 1.00 . A B . 10 LEU CD2 1 1 9 6759 1 1 10 LEU CG C -0.404 -4.643 6.188 1.00 . A B . 10 LEU CG 1 1 9 6760 1 1 10 LEU H H -1.948 -5.896 2.960 1.00 . A B . 10 LEU H 1 1 9 6761 1 1 10 LEU HA H -2.556 -6.227 5.819 1.00 . A B . 10 LEU HA 1 1 9 6762 1 1 10 LEU HB2 H -1.241 -4.003 4.323 1.00 . A B . 10 LEU HB2 1 1 9 6763 1 1 10 LEU HB3 H -2.216 -3.626 5.712 1.00 . A B . 10 LEU HB3 1 1 9 6764 1 1 10 LEU HD11 H 0.810 -5.504 4.702 1.00 . A B . 10 LEU HD11 1 1 9 6765 1 1 10 LEU HD12 H -0.111 -6.682 5.639 1.00 . A B . 10 LEU HD12 1 1 9 6766 1 1 10 LEU HD13 H 1.317 -5.906 6.341 1.00 . A B . 10 LEU HD13 1 1 9 6767 1 1 10 LEU HD21 H 0.870 -3.154 5.364 1.00 . A B . 10 LEU HD21 1 1 9 6768 1 1 10 LEU HD22 H 1.216 -3.554 7.040 1.00 . A B . 10 LEU HD22 1 1 9 6769 1 1 10 LEU HD23 H -0.191 -2.558 6.634 1.00 . A B . 10 LEU HD23 1 1 9 6770 1 1 10 LEU HG H -0.796 -4.887 7.164 1.00 . A B . 10 LEU HG 1 1 9 6771 1 1 10 LEU N N -2.060 -6.358 3.816 1.00 . A B . 10 LEU N 1 1 9 6772 1 1 10 LEU O O -4.440 -5.328 3.624 1.00 . A B . 10 LEU O 1 1 9 6773 1 1 11 CYS C C -6.037 -2.914 6.504 1.00 . A B . 11 CYS C 1 1 9 6774 1 1 11 CYS CA C -5.814 -4.066 5.565 1.00 . A B . 11 CYS CA 1 1 9 6775 1 1 11 CYS CB C -6.712 -5.258 5.890 1.00 . A B . 11 CYS CB 1 1 9 6776 1 1 11 CYS H H -3.944 -4.324 6.484 1.00 . A B . 11 CYS H 1 1 9 6777 1 1 11 CYS HA H -6.007 -3.754 4.550 1.00 . A B . 11 CYS HA 1 1 9 6778 1 1 11 CYS HB2 H -6.462 -5.972 5.128 1.00 . A B . 11 CYS HB2 1 1 9 6779 1 1 11 CYS HB3 H -6.467 -5.643 6.865 1.00 . A B . 11 CYS HB3 1 1 9 6780 1 1 11 CYS N N -4.458 -4.498 5.663 1.00 . A B . 11 CYS N 1 1 9 6781 1 1 11 CYS O O -5.183 -2.631 7.357 1.00 . A B . 11 CYS O 1 1 9 6782 1 1 11 CYS SG S -8.511 -5.068 5.717 1.00 . A B . 11 CYS SG 1 1 9 6783 1 1 12 GLY C C -6.469 -0.068 7.428 1.00 . A B . 12 GLY C 1 1 9 6784 1 1 12 GLY CA C -7.552 -1.092 7.100 1.00 . A B . 12 GLY CA 1 1 9 6785 1 1 12 GLY H H -7.661 -2.555 5.526 1.00 . A B . 12 GLY H 1 1 9 6786 1 1 12 GLY HA2 H -8.362 -0.567 6.620 1.00 . A B . 12 GLY HA2 1 1 9 6787 1 1 12 GLY HA3 H -7.927 -1.489 8.032 1.00 . A B . 12 GLY HA3 1 1 9 6788 1 1 12 GLY N N -7.122 -2.227 6.282 1.00 . A B . 12 GLY N 1 1 9 6789 1 1 12 GLY O O -5.780 0.484 6.545 1.00 . A B . 12 GLY O 1 1 9 6790 1 1 13 ARG C C -3.926 0.695 8.989 1.00 . A B . 13 ARG C 1 1 9 6791 1 1 13 ARG CA C -5.358 1.104 9.257 1.00 . A B . 13 ARG CA 1 1 9 6792 1 1 13 ARG CB C -5.591 1.274 10.752 1.00 . A B . 13 ARG CB 1 1 9 6793 1 1 13 ARG CD C -7.227 1.820 12.572 1.00 . A B . 13 ARG CD 1 1 9 6794 1 1 13 ARG CG C -6.965 1.815 11.083 1.00 . A B . 13 ARG CG 1 1 9 6795 1 1 13 ARG CZ C -6.367 2.872 14.645 1.00 . A B . 13 ARG CZ 1 1 9 6796 1 1 13 ARG H H -6.844 -0.418 9.305 1.00 . A B . 13 ARG H 1 1 9 6797 1 1 13 ARG HA H -5.543 2.051 8.773 1.00 . A B . 13 ARG HA 1 1 9 6798 1 1 13 ARG HB2 H -5.479 0.313 11.231 1.00 . A B . 13 ARG HB2 1 1 9 6799 1 1 13 ARG HB3 H -4.851 1.953 11.148 1.00 . A B . 13 ARG HB3 1 1 9 6800 1 1 13 ARG HD2 H -8.243 2.145 12.734 1.00 . A B . 13 ARG HD2 1 1 9 6801 1 1 13 ARG HD3 H -7.111 0.814 12.946 1.00 . A B . 13 ARG HD3 1 1 9 6802 1 1 13 ARG HE H -5.694 3.240 12.785 1.00 . A B . 13 ARG HE 1 1 9 6803 1 1 13 ARG HG2 H -7.039 2.827 10.714 1.00 . A B . 13 ARG HG2 1 1 9 6804 1 1 13 ARG HG3 H -7.704 1.199 10.594 1.00 . A B . 13 ARG HG3 1 1 9 6805 1 1 13 ARG HH11 H -7.778 1.426 14.987 1.00 . A B . 13 ARG HH11 1 1 9 6806 1 1 13 ARG HH12 H -7.211 2.214 16.384 1.00 . A B . 13 ARG HH12 1 1 9 6807 1 1 13 ARG HH21 H -4.974 4.359 14.694 1.00 . A B . 13 ARG HH21 1 1 9 6808 1 1 13 ARG HH22 H -5.612 3.929 16.219 1.00 . A B . 13 ARG HH22 1 1 9 6809 1 1 13 ARG N N -6.300 0.137 8.707 1.00 . A B . 13 ARG N 1 1 9 6810 1 1 13 ARG NE N -6.332 2.712 13.319 1.00 . A B . 13 ARG NE 1 1 9 6811 1 1 13 ARG NH1 N -7.175 2.122 15.387 1.00 . A B . 13 ARG NH1 1 1 9 6812 1 1 13 ARG NH2 N -5.596 3.779 15.227 1.00 . A B . 13 ARG NH2 1 1 9 6813 1 1 13 ARG O O -3.029 1.541 8.936 1.00 . A B . 13 ARG O 1 1 9 6814 1 1 14 GLU C C -2.001 -0.663 7.080 1.00 . A B . 14 GLU C 1 1 9 6815 1 1 14 GLU CA C -2.384 -1.060 8.481 1.00 . A B . 14 GLU CA 1 1 9 6816 1 1 14 GLU CB C -2.245 -2.544 8.683 1.00 . A B . 14 GLU CB 1 1 9 6817 1 1 14 GLU CD C -1.901 -4.369 10.337 1.00 . A B . 14 GLU CD 1 1 9 6818 1 1 14 GLU CG C -2.360 -2.967 10.123 1.00 . A B . 14 GLU CG 1 1 9 6819 1 1 14 GLU H H -4.440 -1.244 8.824 1.00 . A B . 14 GLU H 1 1 9 6820 1 1 14 GLU HA H -1.712 -0.550 9.156 1.00 . A B . 14 GLU HA 1 1 9 6821 1 1 14 GLU HB2 H -3.028 -3.031 8.121 1.00 . A B . 14 GLU HB2 1 1 9 6822 1 1 14 GLU HB3 H -1.292 -2.853 8.291 1.00 . A B . 14 GLU HB3 1 1 9 6823 1 1 14 GLU HG2 H -1.750 -2.313 10.728 1.00 . A B . 14 GLU HG2 1 1 9 6824 1 1 14 GLU HG3 H -3.392 -2.884 10.428 1.00 . A B . 14 GLU HG3 1 1 9 6825 1 1 14 GLU N N -3.702 -0.592 8.789 1.00 . A B . 14 GLU N 1 1 9 6826 1 1 14 GLU O O -0.835 -0.390 6.803 1.00 . A B . 14 GLU O 1 1 9 6827 1 1 14 GLU OE1 O -2.681 -5.313 10.117 1.00 . A B . 14 GLU OE1 1 1 9 6828 1 1 14 GLU OE2 O -0.740 -4.558 10.714 1.00 . A B . 14 GLU OE2 1 1 9 6829 1 1 15 LEU C C -2.333 1.326 4.908 1.00 . A B . 15 LEU C 1 1 9 6830 1 1 15 LEU CA C -2.748 -0.105 4.842 1.00 . A B . 15 LEU CA 1 1 9 6831 1 1 15 LEU CB C -3.986 -0.191 3.954 1.00 . A B . 15 LEU CB 1 1 9 6832 1 1 15 LEU CD1 C -5.701 -1.472 2.720 1.00 . A B . 15 LEU CD1 1 1 9 6833 1 1 15 LEU CD2 C -3.396 -2.352 2.919 1.00 . A B . 15 LEU CD2 1 1 9 6834 1 1 15 LEU CG C -4.479 -1.567 3.607 1.00 . A B . 15 LEU CG 1 1 9 6835 1 1 15 LEU H H -3.868 -0.925 6.488 1.00 . A B . 15 LEU H 1 1 9 6836 1 1 15 LEU HA H -1.948 -0.679 4.399 1.00 . A B . 15 LEU HA 1 1 9 6837 1 1 15 LEU HB2 H -4.787 0.331 4.455 1.00 . A B . 15 LEU HB2 1 1 9 6838 1 1 15 LEU HB3 H -3.769 0.333 3.033 1.00 . A B . 15 LEU HB3 1 1 9 6839 1 1 15 LEU HD11 H -6.479 -0.927 3.235 1.00 . A B . 15 LEU HD11 1 1 9 6840 1 1 15 LEU HD12 H -6.053 -2.465 2.483 1.00 . A B . 15 LEU HD12 1 1 9 6841 1 1 15 LEU HD13 H -5.442 -0.953 1.809 1.00 . A B . 15 LEU HD13 1 1 9 6842 1 1 15 LEU HD21 H -3.776 -3.353 2.771 1.00 . A B . 15 LEU HD21 1 1 9 6843 1 1 15 LEU HD22 H -2.529 -2.409 3.559 1.00 . A B . 15 LEU HD22 1 1 9 6844 1 1 15 LEU HD23 H -3.140 -1.904 1.970 1.00 . A B . 15 LEU HD23 1 1 9 6845 1 1 15 LEU HG H -4.749 -2.085 4.516 1.00 . A B . 15 LEU HG 1 1 9 6846 1 1 15 LEU N N -2.987 -0.607 6.198 1.00 . A B . 15 LEU N 1 1 9 6847 1 1 15 LEU O O -1.407 1.725 4.239 1.00 . A B . 15 LEU O 1 1 9 6848 1 1 16 VAL C C -1.232 3.634 6.467 1.00 . A B . 16 VAL C 1 1 9 6849 1 1 16 VAL CA C -2.669 3.494 5.961 1.00 . A B . 16 VAL CA 1 1 9 6850 1 1 16 VAL CB C -3.650 4.165 6.961 1.00 . A B . 16 VAL CB 1 1 9 6851 1 1 16 VAL CG1 C -3.384 5.659 7.082 1.00 . A B . 16 VAL CG1 1 1 9 6852 1 1 16 VAL CG2 C -5.092 3.907 6.556 1.00 . A B . 16 VAL CG2 1 1 9 6853 1 1 16 VAL H H -3.732 1.664 6.267 1.00 . A B . 16 VAL H 1 1 9 6854 1 1 16 VAL HA H -2.726 3.996 5.005 1.00 . A B . 16 VAL HA 1 1 9 6855 1 1 16 VAL HB H -3.487 3.720 7.932 1.00 . A B . 16 VAL HB 1 1 9 6856 1 1 16 VAL HG11 H -4.081 6.093 7.785 1.00 . A B . 16 VAL HG11 1 1 9 6857 1 1 16 VAL HG12 H -3.510 6.125 6.117 1.00 . A B . 16 VAL HG12 1 1 9 6858 1 1 16 VAL HG13 H -2.375 5.819 7.430 1.00 . A B . 16 VAL HG13 1 1 9 6859 1 1 16 VAL HG21 H -5.756 4.379 7.266 1.00 . A B . 16 VAL HG21 1 1 9 6860 1 1 16 VAL HG22 H -5.278 2.843 6.542 1.00 . A B . 16 VAL HG22 1 1 9 6861 1 1 16 VAL HG23 H -5.268 4.313 5.571 1.00 . A B . 16 VAL HG23 1 1 9 6862 1 1 16 VAL N N -2.990 2.078 5.773 1.00 . A B . 16 VAL N 1 1 9 6863 1 1 16 VAL O O -0.483 4.484 6.000 1.00 . A B . 16 VAL O 1 1 9 6864 1 1 17 ARG C C 1.492 2.534 6.833 1.00 . A B . 17 ARG C 1 1 9 6865 1 1 17 ARG CA C 0.495 2.724 7.957 1.00 . A B . 17 ARG CA 1 1 9 6866 1 1 17 ARG CB C 0.614 1.537 8.894 1.00 . A B . 17 ARG CB 1 1 9 6867 1 1 17 ARG CD C 1.890 0.337 10.692 1.00 . A B . 17 ARG CD 1 1 9 6868 1 1 17 ARG CG C 1.830 1.572 9.809 1.00 . A B . 17 ARG CG 1 1 9 6869 1 1 17 ARG CZ C 3.450 -0.683 12.352 1.00 . A B . 17 ARG CZ 1 1 9 6870 1 1 17 ARG H H -1.536 2.132 7.719 1.00 . A B . 17 ARG H 1 1 9 6871 1 1 17 ARG HA H 0.696 3.634 8.498 1.00 . A B . 17 ARG HA 1 1 9 6872 1 1 17 ARG HB2 H -0.312 1.414 9.424 1.00 . A B . 17 ARG HB2 1 1 9 6873 1 1 17 ARG HB3 H 0.710 0.667 8.261 1.00 . A B . 17 ARG HB3 1 1 9 6874 1 1 17 ARG HD2 H 0.996 0.299 11.297 1.00 . A B . 17 ARG HD2 1 1 9 6875 1 1 17 ARG HD3 H 1.935 -0.538 10.061 1.00 . A B . 17 ARG HD3 1 1 9 6876 1 1 17 ARG HE H 3.589 1.177 11.589 1.00 . A B . 17 ARG HE 1 1 9 6877 1 1 17 ARG HG2 H 2.721 1.610 9.201 1.00 . A B . 17 ARG HG2 1 1 9 6878 1 1 17 ARG HG3 H 1.778 2.452 10.433 1.00 . A B . 17 ARG HG3 1 1 9 6879 1 1 17 ARG HH11 H 1.944 -1.947 11.787 1.00 . A B . 17 ARG HH11 1 1 9 6880 1 1 17 ARG HH12 H 3.024 -2.614 12.909 1.00 . A B . 17 ARG HH12 1 1 9 6881 1 1 17 ARG HH21 H 5.063 0.285 13.125 1.00 . A B . 17 ARG HH21 1 1 9 6882 1 1 17 ARG HH22 H 4.858 -1.302 13.707 1.00 . A B . 17 ARG HH22 1 1 9 6883 1 1 17 ARG N N -0.856 2.761 7.394 1.00 . A B . 17 ARG N 1 1 9 6884 1 1 17 ARG NE N 3.062 0.344 11.580 1.00 . A B . 17 ARG NE 1 1 9 6885 1 1 17 ARG NH1 N 2.765 -1.819 12.354 1.00 . A B . 17 ARG NH1 1 1 9 6886 1 1 17 ARG NH2 N 4.526 -0.563 13.115 1.00 . A B . 17 ARG NH2 1 1 9 6887 1 1 17 ARG O O 2.439 3.309 6.673 1.00 . A B . 17 ARG O 1 1 9 6888 1 1 18 ALA C C 2.109 2.251 3.846 1.00 . A B . 18 ALA C 1 1 9 6889 1 1 18 ALA CA C 2.068 1.131 4.903 1.00 . A B . 18 ALA CA 1 1 9 6890 1 1 18 ALA CB C 1.564 -0.167 4.288 1.00 . A B . 18 ALA CB 1 1 9 6891 1 1 18 ALA H H 0.457 0.974 6.340 1.00 . A B . 18 ALA H 1 1 9 6892 1 1 18 ALA HA H 3.073 0.969 5.263 1.00 . A B . 18 ALA HA 1 1 9 6893 1 1 18 ALA HB1 H 2.215 -0.465 3.479 1.00 . A B . 18 ALA HB1 1 1 9 6894 1 1 18 ALA HB2 H 0.564 -0.018 3.907 1.00 . A B . 18 ALA HB2 1 1 9 6895 1 1 18 ALA HB3 H 1.549 -0.939 5.041 1.00 . A B . 18 ALA HB3 1 1 9 6896 1 1 18 ALA N N 1.242 1.502 6.062 1.00 . A B . 18 ALA N 1 1 9 6897 1 1 18 ALA O O 3.142 2.499 3.234 1.00 . A B . 18 ALA O 1 1 9 6898 1 1 19 GLN C C 1.709 5.209 3.192 1.00 . A B . 19 GLN C 1 1 9 6899 1 1 19 GLN CA C 0.856 4.036 2.729 1.00 . A B . 19 GLN CA 1 1 9 6900 1 1 19 GLN CB C -0.591 4.464 2.676 1.00 . A B . 19 GLN CB 1 1 9 6901 1 1 19 GLN CD C -2.906 3.914 1.922 1.00 . A B . 19 GLN CD 1 1 9 6902 1 1 19 GLN CG C -1.453 3.582 1.820 1.00 . A B . 19 GLN CG 1 1 9 6903 1 1 19 GLN H H 0.179 2.596 4.124 1.00 . A B . 19 GLN H 1 1 9 6904 1 1 19 GLN HA H 1.158 3.688 1.745 1.00 . A B . 19 GLN HA 1 1 9 6905 1 1 19 GLN HB2 H -0.952 4.365 3.690 1.00 . A B . 19 GLN HB2 1 1 9 6906 1 1 19 GLN HB3 H -0.697 5.499 2.404 1.00 . A B . 19 GLN HB3 1 1 9 6907 1 1 19 GLN HE21 H -3.237 3.232 0.097 1.00 . A B . 19 GLN HE21 1 1 9 6908 1 1 19 GLN HE22 H -4.610 3.823 1.000 1.00 . A B . 19 GLN HE22 1 1 9 6909 1 1 19 GLN HG2 H -1.150 3.726 0.794 1.00 . A B . 19 GLN HG2 1 1 9 6910 1 1 19 GLN HG3 H -1.300 2.554 2.112 1.00 . A B . 19 GLN HG3 1 1 9 6911 1 1 19 GLN N N 0.984 2.902 3.646 1.00 . A B . 19 GLN N 1 1 9 6912 1 1 19 GLN NE2 N -3.647 3.637 0.889 1.00 . A B . 19 GLN NE2 1 1 9 6913 1 1 19 GLN O O 2.488 5.767 2.436 1.00 . A B . 19 GLN O 1 1 9 6914 1 1 19 GLN OE1 O -3.372 4.405 2.938 1.00 . A B . 19 GLN OE1 1 1 9 6915 1 1 20 ILE C C 3.865 6.219 5.006 1.00 . A B . 20 ILE C 1 1 9 6916 1 1 20 ILE CA C 2.374 6.629 5.044 1.00 . A B . 20 ILE CA 1 1 9 6917 1 1 20 ILE CB C 1.918 6.939 6.512 1.00 . A B . 20 ILE CB 1 1 9 6918 1 1 20 ILE CD1 C -0.115 7.677 7.906 1.00 . A B . 20 ILE CD1 1 1 9 6919 1 1 20 ILE CG1 C 0.455 7.426 6.520 1.00 . A B . 20 ILE CG1 1 1 9 6920 1 1 20 ILE CG2 C 2.824 7.988 7.168 1.00 . A B . 20 ILE CG2 1 1 9 6921 1 1 20 ILE H H 0.829 5.144 4.946 1.00 . A B . 20 ILE H 1 1 9 6922 1 1 20 ILE HA H 2.253 7.515 4.438 1.00 . A B . 20 ILE HA 1 1 9 6923 1 1 20 ILE HB H 1.982 6.027 7.087 1.00 . A B . 20 ILE HB 1 1 9 6924 1 1 20 ILE HD11 H -1.137 8.016 7.819 1.00 . A B . 20 ILE HD11 1 1 9 6925 1 1 20 ILE HD12 H 0.475 8.432 8.405 1.00 . A B . 20 ILE HD12 1 1 9 6926 1 1 20 ILE HD13 H -0.087 6.761 8.478 1.00 . A B . 20 ILE HD13 1 1 9 6927 1 1 20 ILE HG12 H 0.389 8.351 5.968 1.00 . A B . 20 ILE HG12 1 1 9 6928 1 1 20 ILE HG13 H -0.162 6.683 6.035 1.00 . A B . 20 ILE HG13 1 1 9 6929 1 1 20 ILE HG21 H 3.840 7.621 7.190 1.00 . A B . 20 ILE HG21 1 1 9 6930 1 1 20 ILE HG22 H 2.488 8.175 8.178 1.00 . A B . 20 ILE HG22 1 1 9 6931 1 1 20 ILE HG23 H 2.784 8.904 6.600 1.00 . A B . 20 ILE HG23 1 1 9 6932 1 1 20 ILE N N 1.554 5.576 4.438 1.00 . A B . 20 ILE N 1 1 9 6933 1 1 20 ILE O O 4.760 7.058 4.916 1.00 . A B . 20 ILE O 1 1 9 6934 1 1 21 ALA C C 5.989 4.426 3.522 1.00 . A B . 21 ALA C 1 1 9 6935 1 1 21 ALA CA C 5.450 4.379 4.944 1.00 . A B . 21 ALA CA 1 1 9 6936 1 1 21 ALA CB C 5.481 2.958 5.462 1.00 . A B . 21 ALA CB 1 1 9 6937 1 1 21 ALA H H 3.347 4.309 5.114 1.00 . A B . 21 ALA H 1 1 9 6938 1 1 21 ALA HA H 6.094 4.979 5.568 1.00 . A B . 21 ALA HA 1 1 9 6939 1 1 21 ALA HB1 H 4.904 2.328 4.802 1.00 . A B . 21 ALA HB1 1 1 9 6940 1 1 21 ALA HB2 H 5.040 2.928 6.448 1.00 . A B . 21 ALA HB2 1 1 9 6941 1 1 21 ALA HB3 H 6.498 2.601 5.507 1.00 . A B . 21 ALA HB3 1 1 9 6942 1 1 21 ALA N N 4.107 4.924 5.023 1.00 . A B . 21 ALA N 1 1 9 6943 1 1 21 ALA O O 7.198 4.318 3.311 1.00 . A B . 21 ALA O 1 1 9 6944 1 1 22 ILE C C 5.707 6.110 0.817 1.00 . A B . 22 ILE C 1 1 9 6945 1 1 22 ILE CA C 5.547 4.618 1.182 1.00 . A B . 22 ILE CA 1 1 9 6946 1 1 22 ILE CB C 4.621 3.790 0.153 1.00 . A B . 22 ILE CB 1 1 9 6947 1 1 22 ILE CD1 C 5.676 4.692 -2.041 1.00 . A B . 22 ILE CD1 1 1 9 6948 1 1 22 ILE CG1 C 5.349 3.484 -1.179 1.00 . A B . 22 ILE CG1 1 1 9 6949 1 1 22 ILE CG2 C 3.278 4.453 -0.138 1.00 . A B . 22 ILE CG2 1 1 9 6950 1 1 22 ILE H H 4.150 4.475 2.760 1.00 . A B . 22 ILE H 1 1 9 6951 1 1 22 ILE HA H 6.545 4.202 1.168 1.00 . A B . 22 ILE HA 1 1 9 6952 1 1 22 ILE HB H 4.361 2.852 0.623 1.00 . A B . 22 ILE HB 1 1 9 6953 1 1 22 ILE HD11 H 6.335 5.352 -1.496 1.00 . A B . 22 ILE HD11 1 1 9 6954 1 1 22 ILE HD12 H 4.765 5.217 -2.285 1.00 . A B . 22 ILE HD12 1 1 9 6955 1 1 22 ILE HD13 H 6.160 4.369 -2.951 1.00 . A B . 22 ILE HD13 1 1 9 6956 1 1 22 ILE HG12 H 6.283 2.988 -0.960 1.00 . A B . 22 ILE HG12 1 1 9 6957 1 1 22 ILE HG13 H 4.732 2.815 -1.762 1.00 . A B . 22 ILE HG13 1 1 9 6958 1 1 22 ILE HG21 H 3.448 5.412 -0.607 1.00 . A B . 22 ILE HG21 1 1 9 6959 1 1 22 ILE HG22 H 2.748 4.606 0.791 1.00 . A B . 22 ILE HG22 1 1 9 6960 1 1 22 ILE HG23 H 2.692 3.826 -0.794 1.00 . A B . 22 ILE HG23 1 1 9 6961 1 1 22 ILE N N 5.108 4.504 2.547 1.00 . A B . 22 ILE N 1 1 9 6962 1 1 22 ILE O O 6.758 6.536 0.347 1.00 . A B . 22 ILE O 1 1 9 6963 1 1 23 CYS C C 5.561 9.160 1.625 1.00 . A B . 23 CYS C 1 1 9 6964 1 1 23 CYS CA C 4.670 8.304 0.746 1.00 . A B . 23 CYS CA 1 1 9 6965 1 1 23 CYS CB C 3.246 8.814 0.839 1.00 . A B . 23 CYS CB 1 1 9 6966 1 1 23 CYS H H 3.916 6.520 1.592 1.00 . A B . 23 CYS H 1 1 9 6967 1 1 23 CYS HA H 4.984 8.392 -0.283 1.00 . A B . 23 CYS HA 1 1 9 6968 1 1 23 CYS HB2 H 2.857 8.490 1.796 1.00 . A B . 23 CYS HB2 1 1 9 6969 1 1 23 CYS HB3 H 3.294 9.887 0.831 1.00 . A B . 23 CYS HB3 1 1 9 6970 1 1 23 CYS N N 4.692 6.899 1.120 1.00 . A B . 23 CYS N 1 1 9 6971 1 1 23 CYS O O 6.054 10.197 1.205 1.00 . A B . 23 CYS O 1 1 9 6972 1 1 23 CYS SG S 2.119 8.187 -0.463 1.00 . A B . 23 CYS SG 1 1 9 6973 1 1 24 GLY C C 7.982 8.777 3.937 1.00 . A B . 24 GLY C 1 1 9 6974 1 1 24 GLY CA C 6.639 9.427 3.723 1.00 . A B . 24 GLY CA 1 1 9 6975 1 1 24 GLY H H 5.363 7.864 3.047 1.00 . A B . 24 GLY H 1 1 9 6976 1 1 24 GLY HA2 H 6.793 10.424 3.340 1.00 . A B . 24 GLY HA2 1 1 9 6977 1 1 24 GLY HA3 H 6.128 9.493 4.672 1.00 . A B . 24 GLY HA3 1 1 9 6978 1 1 24 GLY N N 5.806 8.700 2.799 1.00 . A B . 24 GLY N 1 1 9 6979 1 1 24 GLY O O 8.508 8.787 5.043 1.00 . A B . 24 GLY O 1 1 9 6980 1 1 25 MET C C 10.613 7.802 1.718 1.00 . A B . 25 MET C 1 1 9 6981 1 1 25 MET CA C 9.845 7.589 2.998 1.00 . A B . 25 MET CA 1 1 9 6982 1 1 25 MET CB C 9.772 6.103 3.367 1.00 . A B . 25 MET CB 1 1 9 6983 1 1 25 MET CE C 13.441 5.250 5.176 1.00 . A B . 25 MET CE 1 1 9 6984 1 1 25 MET CG C 11.127 5.463 3.649 1.00 . A B . 25 MET CG 1 1 9 6985 1 1 25 MET H H 8.082 8.194 2.030 1.00 . A B . 25 MET H 1 1 9 6986 1 1 25 MET HA H 10.370 8.120 3.781 1.00 . A B . 25 MET HA 1 1 9 6987 1 1 25 MET HB2 H 9.159 5.998 4.250 1.00 . A B . 25 MET HB2 1 1 9 6988 1 1 25 MET HB3 H 9.305 5.568 2.553 1.00 . A B . 25 MET HB3 1 1 9 6989 1 1 25 MET HE1 H 13.987 5.215 4.245 1.00 . A B . 25 MET HE1 1 1 9 6990 1 1 25 MET HE2 H 13.124 4.253 5.443 1.00 . A B . 25 MET HE2 1 1 9 6991 1 1 25 MET HE3 H 14.078 5.647 5.953 1.00 . A B . 25 MET HE3 1 1 9 6992 1 1 25 MET HG2 H 10.981 4.426 3.915 1.00 . A B . 25 MET HG2 1 1 9 6993 1 1 25 MET HG3 H 11.725 5.521 2.751 1.00 . A B . 25 MET HG3 1 1 9 6994 1 1 25 MET N N 8.541 8.200 2.897 1.00 . A B . 25 MET N 1 1 9 6995 1 1 25 MET O O 10.759 6.910 0.890 1.00 . A B . 25 MET O 1 1 9 6996 1 1 25 MET SD S 12.004 6.300 4.986 1.00 . A B . 25 MET SD 1 1 9 6997 1 1 26 SER C C 13.269 9.522 0.714 1.00 . A B . 26 SER C 1 1 9 6998 1 1 26 SER CA C 11.784 9.391 0.376 1.00 . A B . 26 SER CA 1 1 9 6999 1 1 26 SER CB C 11.216 10.696 -0.148 1.00 . A B . 26 SER CB 1 1 9 7000 1 1 26 SER H H 10.846 9.691 2.218 1.00 . A B . 26 SER H 1 1 9 7001 1 1 26 SER HA H 11.659 8.625 -0.374 1.00 . A B . 26 SER HA 1 1 9 7002 1 1 26 SER HB2 H 11.401 11.486 0.563 1.00 . A B . 26 SER HB2 1 1 9 7003 1 1 26 SER HB3 H 11.692 10.927 -1.087 1.00 . A B . 26 SER HB3 1 1 9 7004 1 1 26 SER HG H 9.684 9.739 -0.850 1.00 . A B . 26 SER HG 1 1 9 7005 1 1 26 SER N N 11.047 9.006 1.544 1.00 . A B . 26 SER N 1 1 9 7006 1 1 26 SER O O 14.038 10.155 -0.001 1.00 . A B . 26 SER O 1 1 9 7007 1 1 26 SER OG O 9.808 10.564 -0.363 1.00 . A B . 26 SER OG 1 1 9 7008 1 1 27 THR C C 15.879 7.963 1.344 1.00 . A B . 27 THR C 1 1 9 7009 1 1 27 THR CA C 15.046 8.863 2.257 1.00 . A B . 27 THR CA 1 1 9 7010 1 1 27 THR CB C 15.108 8.371 3.708 1.00 . A B . 27 THR CB 1 1 9 7011 1 1 27 THR CG2 C 16.464 8.668 4.340 1.00 . A B . 27 THR CG2 1 1 9 7012 1 1 27 THR H H 12.983 8.418 2.342 1.00 . A B . 27 THR H 1 1 9 7013 1 1 27 THR HA H 15.424 9.863 2.191 1.00 . A B . 27 THR HA 1 1 9 7014 1 1 27 THR HB H 14.925 7.306 3.717 1.00 . A B . 27 THR HB 1 1 9 7015 1 1 27 THR HG1 H 13.854 9.856 3.981 1.00 . A B . 27 THR HG1 1 1 9 7016 1 1 27 THR HG21 H 16.475 8.303 5.357 1.00 . A B . 27 THR HG21 1 1 9 7017 1 1 27 THR HG22 H 16.637 9.734 4.337 1.00 . A B . 27 THR HG22 1 1 9 7018 1 1 27 THR HG23 H 17.240 8.177 3.772 1.00 . A B . 27 THR HG23 1 1 9 7019 1 1 27 THR N N 13.662 8.876 1.806 1.00 . A B . 27 THR N 1 1 9 7020 1 1 27 THR O O 17.108 8.043 1.272 1.00 . A B . 27 THR O 1 1 9 7021 1 1 27 THR OG1 O 14.087 9.048 4.455 1.00 . A B . 27 THR OG1 1 1 9 7022 1 1 28 TRP C C 15.773 6.957 -1.651 1.00 . A B . 28 TRP C 1 1 9 7023 1 1 28 TRP CA C 15.777 6.256 -0.307 1.00 . A B . 28 TRP CA 1 1 9 7024 1 1 28 TRP CB C 15.015 4.927 -0.397 1.00 . A B . 28 TRP CB 1 1 9 7025 1 1 28 TRP CD1 C 13.771 3.654 1.450 1.00 . A B . 28 TRP CD1 1 1 9 7026 1 1 28 TRP CD2 C 15.980 3.784 1.789 1.00 . A B . 28 TRP CD2 1 1 9 7027 1 1 28 TRP CE2 C 15.401 3.051 2.844 1.00 . A B . 28 TRP CE2 1 1 9 7028 1 1 28 TRP CE3 C 17.364 3.996 1.801 1.00 . A B . 28 TRP CE3 1 1 9 7029 1 1 28 TRP CG C 14.913 4.147 0.892 1.00 . A B . 28 TRP CG 1 1 9 7030 1 1 28 TRP CH2 C 17.501 2.758 3.877 1.00 . A B . 28 TRP CH2 1 1 9 7031 1 1 28 TRP CZ2 C 16.153 2.532 3.894 1.00 . A B . 28 TRP CZ2 1 1 9 7032 1 1 28 TRP CZ3 C 18.107 3.483 2.844 1.00 . A B . 28 TRP CZ3 1 1 9 7033 1 1 28 TRP H H 14.220 7.210 0.795 1.00 . A B . 28 TRP H 1 1 9 7034 1 1 28 TRP HA H 16.797 6.074 -0.006 1.00 . A B . 28 TRP HA 1 1 9 7035 1 1 28 TRP HB2 H 14.006 5.132 -0.721 1.00 . A B . 28 TRP HB2 1 1 9 7036 1 1 28 TRP HB3 H 15.495 4.297 -1.131 1.00 . A B . 28 TRP HB3 1 1 9 7037 1 1 28 TRP HD1 H 12.788 3.763 1.015 1.00 . A B . 28 TRP HD1 1 1 9 7038 1 1 28 TRP HE1 H 13.397 2.518 3.172 1.00 . A B . 28 TRP HE1 1 1 9 7039 1 1 28 TRP HE3 H 17.854 4.552 1.014 1.00 . A B . 28 TRP HE3 1 1 9 7040 1 1 28 TRP HH2 H 18.123 2.377 4.673 1.00 . A B . 28 TRP HH2 1 1 9 7041 1 1 28 TRP HZ2 H 15.701 1.971 4.698 1.00 . A B . 28 TRP HZ2 1 1 9 7042 1 1 28 TRP HZ3 H 19.175 3.639 2.870 1.00 . A B . 28 TRP HZ3 1 1 9 7043 1 1 28 TRP N N 15.184 7.141 0.649 1.00 . A B . 28 TRP N 1 1 9 7044 1 1 28 TRP NE1 N 14.056 2.979 2.603 1.00 . A B . 28 TRP NE1 1 1 9 7045 1 1 28 TRP O O 14.715 7.405 -2.127 1.00 . A B . 28 TRP O 1 1 9 7046 1 1 29 SER C C 18.384 7.302 -4.161 1.00 . A B . 29 SER C 1 1 9 7047 1 1 29 SER CA C 17.101 7.793 -3.489 1.00 . A B . 29 SER CA 1 1 9 7048 1 1 29 SER CB C 17.151 9.307 -3.301 1.00 . A B . 29 SER CB 1 1 9 7049 1 1 29 SER H H 17.743 6.821 -1.757 1.00 . A B . 29 SER H 1 1 9 7050 1 1 29 SER HA H 16.256 7.542 -4.110 1.00 . A B . 29 SER HA 1 1 9 7051 1 1 29 SER HB2 H 18.013 9.562 -2.703 1.00 . A B . 29 SER HB2 1 1 9 7052 1 1 29 SER HB3 H 17.228 9.774 -4.270 1.00 . A B . 29 SER HB3 1 1 9 7053 1 1 29 SER HG H 15.532 8.999 -2.302 1.00 . A B . 29 SER HG 1 1 9 7054 1 1 29 SER N N 16.934 7.139 -2.212 1.00 . A B . 29 SER N 1 1 9 7055 1 1 29 SER O O 19.477 7.841 -3.937 1.00 . A B . 29 SER O 1 1 9 7056 1 1 29 SER OG O 15.976 9.786 -2.651 1.00 . A B . 29 SER OG 1 1 9 7057 1 1 30 NH2 HN1 H 17.368 5.895 -5.078 1.00 . A B . 30 NH2 HN1 1 1 9 7058 1 1 30 NH2 HN2 H 19.070 5.909 -5.369 1.00 . A B . 30 NH2 HN2 1 1 9 7059 1 1 30 NH2 N N 18.264 6.270 -4.946 1.00 . A B . 30 NH2 N 1 1 9 7060 2 2 1 PCA C C -13.044 3.252 -5.827 1.00 . B A . 1 PCA C 1 1 9 7061 2 2 1 PCA CA C -14.403 3.955 -5.743 1.00 . B A . 1 PCA CA 1 1 9 7062 2 2 1 PCA CB C -14.493 4.754 -4.461 1.00 . B A . 1 PCA CB 1 1 9 7063 2 2 1 PCA CD C -16.094 3.001 -4.501 1.00 . B A . 1 PCA CD 1 1 9 7064 2 2 1 PCA CG C -15.665 4.200 -3.688 1.00 . B A . 1 PCA CG 1 1 9 7065 2 2 1 PCA HA H -14.505 4.597 -6.605 1.00 . B A . 1 PCA HA 1 1 9 7066 2 2 1 PCA HB2 H -13.579 4.628 -3.882 1.00 . B A . 1 PCA HB2 1 1 9 7067 2 2 1 PCA HB3 H -14.656 5.805 -4.690 1.00 . B A . 1 PCA HB3 1 1 9 7068 2 2 1 PCA HG2 H -15.348 3.903 -2.687 1.00 . B A . 1 PCA HG2 1 1 9 7069 2 2 1 PCA HG3 H -16.485 4.913 -3.641 1.00 . B A . 1 PCA HG3 1 1 9 7070 2 2 1 PCA N N -15.502 2.981 -5.700 1.00 . B A . 1 PCA N 1 1 9 7071 2 2 1 PCA O O -12.890 2.112 -5.343 1.00 . B A . 1 PCA O 1 1 9 7072 2 2 1 PCA OE O -16.885 2.155 -4.086 1.00 . B A . 1 PCA OE 1 1 9 7073 2 2 2 LEU C C -9.985 3.159 -5.339 1.00 . B A . 2 LEU C 1 1 9 7074 2 2 2 LEU CA C -10.732 3.330 -6.611 1.00 . B A . 2 LEU CA 1 1 9 7075 2 2 2 LEU CB C -9.910 4.094 -7.645 1.00 . B A . 2 LEU CB 1 1 9 7076 2 2 2 LEU CD1 C -9.552 4.932 -9.978 1.00 . B A . 2 LEU CD1 1 1 9 7077 2 2 2 LEU CD2 C -10.455 2.635 -9.612 1.00 . B A . 2 LEU CD2 1 1 9 7078 2 2 2 LEU CG C -10.427 4.064 -9.087 1.00 . B A . 2 LEU CG 1 1 9 7079 2 2 2 LEU H H -12.228 4.835 -6.732 1.00 . B A . 2 LEU H 1 1 9 7080 2 2 2 LEU HA H -10.802 2.304 -6.919 1.00 . B A . 2 LEU HA 1 1 9 7081 2 2 2 LEU HB2 H -9.836 5.124 -7.331 1.00 . B A . 2 LEU HB2 1 1 9 7082 2 2 2 LEU HB3 H -8.921 3.661 -7.641 1.00 . B A . 2 LEU HB3 1 1 9 7083 2 2 2 LEU HD11 H -8.539 4.558 -9.960 1.00 . B A . 2 LEU HD11 1 1 9 7084 2 2 2 LEU HD12 H -9.566 5.949 -9.615 1.00 . B A . 2 LEU HD12 1 1 9 7085 2 2 2 LEU HD13 H -9.928 4.904 -10.989 1.00 . B A . 2 LEU HD13 1 1 9 7086 2 2 2 LEU HD21 H -9.463 2.211 -9.562 1.00 . B A . 2 LEU HD21 1 1 9 7087 2 2 2 LEU HD22 H -10.796 2.634 -10.636 1.00 . B A . 2 LEU HD22 1 1 9 7088 2 2 2 LEU HD23 H -11.131 2.042 -9.014 1.00 . B A . 2 LEU HD23 1 1 9 7089 2 2 2 LEU HG H -11.433 4.458 -9.115 1.00 . B A . 2 LEU HG 1 1 9 7090 2 2 2 LEU N N -12.063 3.917 -6.417 1.00 . B A . 2 LEU N 1 1 9 7091 2 2 2 LEU O O -9.133 2.266 -5.230 1.00 . B A . 2 LEU O 1 1 9 7092 2 2 3 TYR C C -10.138 2.573 -2.391 1.00 . B A . 3 TYR C 1 1 9 7093 2 2 3 TYR CA C -9.625 3.796 -3.142 1.00 . B A . 3 TYR CA 1 1 9 7094 2 2 3 TYR CB C -9.684 5.031 -2.282 1.00 . B A . 3 TYR CB 1 1 9 7095 2 2 3 TYR CD1 C -7.458 4.649 -1.378 1.00 . B A . 3 TYR CD1 1 1 9 7096 2 2 3 TYR CD2 C -9.250 4.799 0.155 1.00 . B A . 3 TYR CD2 1 1 9 7097 2 2 3 TYR CE1 C -6.599 4.409 -0.389 1.00 . B A . 3 TYR CE1 1 1 9 7098 2 2 3 TYR CE2 C -8.385 4.566 1.185 1.00 . B A . 3 TYR CE2 1 1 9 7099 2 2 3 TYR CG C -8.787 4.847 -1.140 1.00 . B A . 3 TYR CG 1 1 9 7100 2 2 3 TYR CZ C -7.053 4.366 0.909 1.00 . B A . 3 TYR CZ 1 1 9 7101 2 2 3 TYR H H -10.983 4.642 -4.485 1.00 . B A . 3 TYR H 1 1 9 7102 2 2 3 TYR HA H -8.593 3.601 -3.396 1.00 . B A . 3 TYR HA 1 1 9 7103 2 2 3 TYR HB2 H -9.370 5.896 -2.847 1.00 . B A . 3 TYR HB2 1 1 9 7104 2 2 3 TYR HB3 H -10.686 5.164 -1.905 1.00 . B A . 3 TYR HB3 1 1 9 7105 2 2 3 TYR HD1 H -7.103 4.689 -2.397 1.00 . B A . 3 TYR HD1 1 1 9 7106 2 2 3 TYR HD2 H -10.300 4.956 0.352 1.00 . B A . 3 TYR HD2 1 1 9 7107 2 2 3 TYR HE1 H -5.575 4.252 -0.684 1.00 . B A . 3 TYR HE1 1 1 9 7108 2 2 3 TYR HE2 H -8.762 4.532 2.194 1.00 . B A . 3 TYR HE2 1 1 9 7109 2 2 3 TYR HH H -6.608 3.578 2.588 1.00 . B A . 3 TYR HH 1 1 9 7110 2 2 3 TYR N N -10.299 3.948 -4.364 1.00 . B A . 3 TYR N 1 1 9 7111 2 2 3 TYR O O -9.351 1.776 -1.869 1.00 . B A . 3 TYR O 1 1 9 7112 2 2 3 TYR OH O -6.174 4.124 1.922 1.00 . B A . 3 TYR OH 1 1 9 7113 2 2 4 SER C C -11.646 -0.019 -2.412 1.00 . B A . 4 SER C 1 1 9 7114 2 2 4 SER CA C -12.074 1.292 -1.734 1.00 . B A . 4 SER CA 1 1 9 7115 2 2 4 SER CB C -13.565 1.490 -1.830 1.00 . B A . 4 SER CB 1 1 9 7116 2 2 4 SER H H -12.028 3.089 -2.772 1.00 . B A . 4 SER H 1 1 9 7117 2 2 4 SER HA H -11.787 1.275 -0.693 1.00 . B A . 4 SER HA 1 1 9 7118 2 2 4 SER HB2 H -13.889 1.349 -2.850 1.00 . B A . 4 SER HB2 1 1 9 7119 2 2 4 SER HB3 H -14.060 0.786 -1.180 1.00 . B A . 4 SER HB3 1 1 9 7120 2 2 4 SER HG H -13.976 2.809 -0.449 1.00 . B A . 4 SER HG 1 1 9 7121 2 2 4 SER N N -11.439 2.416 -2.371 1.00 . B A . 4 SER N 1 1 9 7122 2 2 4 SER O O -11.424 -1.036 -1.744 1.00 . B A . 4 SER O 1 1 9 7123 2 2 4 SER OG O -13.891 2.807 -1.409 1.00 . B A . 4 SER OG 1 1 9 7124 2 2 5 ALA C C -9.635 -1.540 -4.078 1.00 . B A . 5 ALA C 1 1 9 7125 2 2 5 ALA CA C -11.032 -1.099 -4.520 1.00 . B A . 5 ALA CA 1 1 9 7126 2 2 5 ALA CB C -11.049 -0.762 -6.002 1.00 . B A . 5 ALA CB 1 1 9 7127 2 2 5 ALA H H -11.699 0.878 -4.200 1.00 . B A . 5 ALA H 1 1 9 7128 2 2 5 ALA HA H -11.721 -1.912 -4.342 1.00 . B A . 5 ALA HA 1 1 9 7129 2 2 5 ALA HB1 H -10.360 0.049 -6.191 1.00 . B A . 5 ALA HB1 1 1 9 7130 2 2 5 ALA HB2 H -12.043 -0.460 -6.292 1.00 . B A . 5 ALA HB2 1 1 9 7131 2 2 5 ALA HB3 H -10.751 -1.629 -6.574 1.00 . B A . 5 ALA HB3 1 1 9 7132 2 2 5 ALA N N -11.485 0.039 -3.735 1.00 . B A . 5 ALA N 1 1 9 7133 2 2 5 ALA O O -9.387 -2.741 -3.909 1.00 . B A . 5 ALA O 1 1 9 7134 2 2 6 LEU C C -7.457 -1.477 -2.006 1.00 . B A . 6 LEU C 1 1 9 7135 2 2 6 LEU CA C -7.377 -0.838 -3.378 1.00 . B A . 6 LEU CA 1 1 9 7136 2 2 6 LEU CB C -6.545 0.456 -3.249 1.00 . B A . 6 LEU CB 1 1 9 7137 2 2 6 LEU CD1 C -4.205 -0.418 -3.655 1.00 . B A . 6 LEU CD1 1 1 9 7138 2 2 6 LEU CD2 C -4.530 1.574 -2.163 1.00 . B A . 6 LEU CD2 1 1 9 7139 2 2 6 LEU CG C -5.125 0.266 -2.665 1.00 . B A . 6 LEU CG 1 1 9 7140 2 2 6 LEU H H -8.991 0.364 -4.070 1.00 . B A . 6 LEU H 1 1 9 7141 2 2 6 LEU HA H -6.888 -1.510 -4.066 1.00 . B A . 6 LEU HA 1 1 9 7142 2 2 6 LEU HB2 H -6.456 0.901 -4.230 1.00 . B A . 6 LEU HB2 1 1 9 7143 2 2 6 LEU HB3 H -7.081 1.140 -2.609 1.00 . B A . 6 LEU HB3 1 1 9 7144 2 2 6 LEU HD11 H -4.597 -1.396 -3.887 1.00 . B A . 6 LEU HD11 1 1 9 7145 2 2 6 LEU HD12 H -3.220 -0.518 -3.221 1.00 . B A . 6 LEU HD12 1 1 9 7146 2 2 6 LEU HD13 H -4.142 0.169 -4.558 1.00 . B A . 6 LEU HD13 1 1 9 7147 2 2 6 LEU HD21 H -3.558 1.383 -1.726 1.00 . B A . 6 LEU HD21 1 1 9 7148 2 2 6 LEU HD22 H -5.177 1.999 -1.411 1.00 . B A . 6 LEU HD22 1 1 9 7149 2 2 6 LEU HD23 H -4.426 2.265 -2.985 1.00 . B A . 6 LEU HD23 1 1 9 7150 2 2 6 LEU HG H -5.215 -0.408 -1.825 1.00 . B A . 6 LEU HG 1 1 9 7151 2 2 6 LEU N N -8.736 -0.562 -3.872 1.00 . B A . 6 LEU N 1 1 9 7152 2 2 6 LEU O O -6.882 -2.539 -1.765 1.00 . B A . 6 LEU O 1 1 9 7153 2 2 7 ALA C C -8.815 -2.700 0.355 1.00 . B A . 7 ALA C 1 1 9 7154 2 2 7 ALA CA C -8.375 -1.245 0.255 1.00 . B A . 7 ALA CA 1 1 9 7155 2 2 7 ALA CB C -9.356 -0.330 0.973 1.00 . B A . 7 ALA CB 1 1 9 7156 2 2 7 ALA H H -8.682 -0.019 -1.441 1.00 . B A . 7 ALA H 1 1 9 7157 2 2 7 ALA HA H -7.413 -1.148 0.735 1.00 . B A . 7 ALA HA 1 1 9 7158 2 2 7 ALA HB1 H -9.026 0.693 0.884 1.00 . B A . 7 ALA HB1 1 1 9 7159 2 2 7 ALA HB2 H -9.410 -0.601 2.017 1.00 . B A . 7 ALA HB2 1 1 9 7160 2 2 7 ALA HB3 H -10.333 -0.432 0.524 1.00 . B A . 7 ALA HB3 1 1 9 7161 2 2 7 ALA N N -8.216 -0.826 -1.128 1.00 . B A . 7 ALA N 1 1 9 7162 2 2 7 ALA O O -8.250 -3.476 1.135 1.00 . B A . 7 ALA O 1 1 9 7163 2 2 8 ASN C C -9.267 -5.376 -1.080 1.00 . B A . 8 ASN C 1 1 9 7164 2 2 8 ASN CA C -10.285 -4.440 -0.472 1.00 . B A . 8 ASN CA 1 1 9 7165 2 2 8 ASN CB C -11.615 -4.560 -1.230 1.00 . B A . 8 ASN CB 1 1 9 7166 2 2 8 ASN CG C -12.762 -3.864 -0.532 1.00 . B A . 8 ASN CG 1 1 9 7167 2 2 8 ASN H H -10.202 -2.393 -1.032 1.00 . B A . 8 ASN H 1 1 9 7168 2 2 8 ASN HA H -10.447 -4.739 0.553 1.00 . B A . 8 ASN HA 1 1 9 7169 2 2 8 ASN HB2 H -11.501 -4.117 -2.209 1.00 . B A . 8 ASN HB2 1 1 9 7170 2 2 8 ASN HB3 H -11.862 -5.604 -1.343 1.00 . B A . 8 ASN HB3 1 1 9 7171 2 2 8 ASN HD21 H -13.653 -3.515 -2.263 1.00 . B A . 8 ASN HD21 1 1 9 7172 2 2 8 ASN HD22 H -14.465 -2.934 -0.863 1.00 . B A . 8 ASN HD22 1 1 9 7173 2 2 8 ASN N N -9.791 -3.071 -0.448 1.00 . B A . 8 ASN N 1 1 9 7174 2 2 8 ASN ND2 N -13.716 -3.398 -1.290 1.00 . B A . 8 ASN ND2 1 1 9 7175 2 2 8 ASN O O -9.055 -6.456 -0.584 1.00 . B A . 8 ASN O 1 1 9 7176 2 2 8 ASN OD1 O -12.789 -3.757 0.697 1.00 . B A . 8 ASN OD1 1 1 9 7177 2 2 9 LYS C C -6.490 -6.164 -1.953 1.00 . B A . 9 LYS C 1 1 9 7178 2 2 9 LYS CA C -7.639 -5.748 -2.854 1.00 . B A . 9 LYS CA 1 1 9 7179 2 2 9 LYS CB C -7.127 -4.963 -4.070 1.00 . B A . 9 LYS CB 1 1 9 7180 2 2 9 LYS CD C -7.064 -6.822 -5.779 1.00 . B A . 9 LYS CD 1 1 9 7181 2 2 9 LYS CE C -6.421 -7.220 -7.107 1.00 . B A . 9 LYS CE 1 1 9 7182 2 2 9 LYS CG C -6.278 -5.721 -5.087 1.00 . B A . 9 LYS CG 1 1 9 7183 2 2 9 LYS H H -8.748 -4.000 -2.406 1.00 . B A . 9 LYS H 1 1 9 7184 2 2 9 LYS HA H -8.124 -6.655 -3.175 1.00 . B A . 9 LYS HA 1 1 9 7185 2 2 9 LYS HB2 H -7.974 -4.554 -4.598 1.00 . B A . 9 LYS HB2 1 1 9 7186 2 2 9 LYS HB3 H -6.541 -4.136 -3.698 1.00 . B A . 9 LYS HB3 1 1 9 7187 2 2 9 LYS HD2 H -7.098 -7.689 -5.135 1.00 . B A . 9 LYS HD2 1 1 9 7188 2 2 9 LYS HD3 H -8.069 -6.472 -5.966 1.00 . B A . 9 LYS HD3 1 1 9 7189 2 2 9 LYS HE2 H -7.031 -7.978 -7.571 1.00 . B A . 9 LYS HE2 1 1 9 7190 2 2 9 LYS HE3 H -6.411 -6.344 -7.740 1.00 . B A . 9 LYS HE3 1 1 9 7191 2 2 9 LYS HG2 H -5.933 -5.023 -5.836 1.00 . B A . 9 LYS HG2 1 1 9 7192 2 2 9 LYS HG3 H -5.429 -6.156 -4.580 1.00 . B A . 9 LYS HG3 1 1 9 7193 2 2 9 LYS HZ1 H -5.004 -8.679 -6.537 1.00 . B A . 9 LYS HZ1 1 1 9 7194 2 2 9 LYS HZ2 H -4.399 -7.092 -6.468 1.00 . B A . 9 LYS HZ2 1 1 9 7195 2 2 9 LYS HZ3 H -4.641 -7.847 -7.930 1.00 . B A . 9 LYS HZ3 1 1 9 7196 2 2 9 LYS N N -8.602 -4.928 -2.117 1.00 . B A . 9 LYS N 1 1 9 7197 2 2 9 LYS NZ N -5.037 -7.736 -6.976 1.00 . B A . 9 LYS NZ 1 1 9 7198 2 2 9 LYS O O -6.179 -7.349 -1.855 1.00 . B A . 9 LYS O 1 1 9 7199 2 2 10 CYS C C -5.241 -6.339 0.787 1.00 . B A . 10 CYS C 1 1 9 7200 2 2 10 CYS CA C -4.781 -5.484 -0.384 1.00 . B A . 10 CYS CA 1 1 9 7201 2 2 10 CYS CB C -4.227 -4.181 0.156 1.00 . B A . 10 CYS CB 1 1 9 7202 2 2 10 CYS H H -6.202 -4.279 -1.390 1.00 . B A . 10 CYS H 1 1 9 7203 2 2 10 CYS HA H -4.001 -6.017 -0.912 1.00 . B A . 10 CYS HA 1 1 9 7204 2 2 10 CYS HB2 H -4.944 -3.759 0.844 1.00 . B A . 10 CYS HB2 1 1 9 7205 2 2 10 CYS HB3 H -3.307 -4.380 0.687 1.00 . B A . 10 CYS HB3 1 1 9 7206 2 2 10 CYS N N -5.901 -5.212 -1.278 1.00 . B A . 10 CYS N 1 1 9 7207 2 2 10 CYS O O -4.527 -7.239 1.234 1.00 . B A . 10 CYS O 1 1 9 7208 2 2 10 CYS SG S -3.883 -2.919 -1.097 1.00 . B A . 10 CYS SG 1 1 9 7209 2 2 11 CYS C C -7.304 -8.207 2.035 1.00 . B A . 11 CYS C 1 1 9 7210 2 2 11 CYS CA C -7.002 -6.755 2.387 1.00 . B A . 11 CYS CA 1 1 9 7211 2 2 11 CYS CB C -8.275 -6.021 2.846 1.00 . B A . 11 CYS CB 1 1 9 7212 2 2 11 CYS H H -6.982 -5.375 0.810 1.00 . B A . 11 CYS H 1 1 9 7213 2 2 11 CYS HA H -6.277 -6.727 3.185 1.00 . B A . 11 CYS HA 1 1 9 7214 2 2 11 CYS HB2 H -8.046 -4.971 2.950 1.00 . B A . 11 CYS HB2 1 1 9 7215 2 2 11 CYS HB3 H -9.030 -6.135 2.082 1.00 . B A . 11 CYS HB3 1 1 9 7216 2 2 11 CYS N N -6.445 -6.072 1.247 1.00 . B A . 11 CYS N 1 1 9 7217 2 2 11 CYS O O -7.020 -9.133 2.821 1.00 . B A . 11 CYS O 1 1 9 7218 2 2 11 CYS SG S -8.993 -6.572 4.428 1.00 . B A . 11 CYS SG 1 1 9 7219 2 2 12 HIS C C -7.054 -10.558 -0.040 1.00 . B A . 12 HIS C 1 1 9 7220 2 2 12 HIS CA C -8.227 -9.740 0.411 1.00 . B A . 12 HIS CA 1 1 9 7221 2 2 12 HIS CB C -9.285 -9.653 -0.694 1.00 . B A . 12 HIS CB 1 1 9 7222 2 2 12 HIS CD2 C -10.945 -8.496 0.921 1.00 . B A . 12 HIS CD2 1 1 9 7223 2 2 12 HIS CE1 C -12.765 -8.697 -0.212 1.00 . B A . 12 HIS CE1 1 1 9 7224 2 2 12 HIS CG C -10.626 -9.158 -0.213 1.00 . B A . 12 HIS CG 1 1 9 7225 2 2 12 HIS H H -7.950 -7.676 0.195 1.00 . B A . 12 HIS H 1 1 9 7226 2 2 12 HIS HA H -8.673 -10.228 1.263 1.00 . B A . 12 HIS HA 1 1 9 7227 2 2 12 HIS HB2 H -8.925 -8.952 -1.433 1.00 . B A . 12 HIS HB2 1 1 9 7228 2 2 12 HIS HB3 H -9.392 -10.618 -1.158 1.00 . B A . 12 HIS HB3 1 1 9 7229 2 2 12 HIS HD1 H -11.911 -9.725 -1.781 1.00 . B A . 12 HIS HD1 1 1 9 7230 2 2 12 HIS HD2 H -10.242 -8.244 1.701 1.00 . B A . 12 HIS HD2 1 1 9 7231 2 2 12 HIS HE1 H -13.795 -8.638 -0.527 1.00 . B A . 12 HIS HE1 1 1 9 7232 2 2 12 HIS N N -7.822 -8.420 0.836 1.00 . B A . 12 HIS N 1 1 9 7233 2 2 12 HIS ND1 N -11.797 -9.278 -0.915 1.00 . B A . 12 HIS ND1 1 1 9 7234 2 2 12 HIS NE2 N -12.300 -8.203 0.922 1.00 . B A . 12 HIS NE2 1 1 9 7235 2 2 12 HIS O O -6.820 -11.651 0.464 1.00 . B A . 12 HIS O 1 1 9 7236 2 2 13 VAL C C -3.843 -10.046 -1.243 1.00 . B A . 13 VAL C 1 1 9 7237 2 2 13 VAL CA C -5.178 -10.750 -1.507 1.00 . B A . 13 VAL CA 1 1 9 7238 2 2 13 VAL CB C -5.371 -11.059 -3.019 1.00 . B A . 13 VAL CB 1 1 9 7239 2 2 13 VAL CG1 C -6.490 -12.070 -3.205 1.00 . B A . 13 VAL CG1 1 1 9 7240 2 2 13 VAL CG2 C -5.696 -9.804 -3.824 1.00 . B A . 13 VAL CG2 1 1 9 7241 2 2 13 VAL H H -6.512 -9.122 -1.264 1.00 . B A . 13 VAL H 1 1 9 7242 2 2 13 VAL HA H -5.143 -11.692 -0.979 1.00 . B A . 13 VAL HA 1 1 9 7243 2 2 13 VAL HB H -4.431 -11.456 -3.366 1.00 . B A . 13 VAL HB 1 1 9 7244 2 2 13 VAL HG11 H -6.239 -12.990 -2.699 1.00 . B A . 13 VAL HG11 1 1 9 7245 2 2 13 VAL HG12 H -6.644 -12.256 -4.257 1.00 . B A . 13 VAL HG12 1 1 9 7246 2 2 13 VAL HG13 H -7.391 -11.659 -2.773 1.00 . B A . 13 VAL HG13 1 1 9 7247 2 2 13 VAL HG21 H -5.844 -10.067 -4.860 1.00 . B A . 13 VAL HG21 1 1 9 7248 2 2 13 VAL HG22 H -4.882 -9.099 -3.741 1.00 . B A . 13 VAL HG22 1 1 9 7249 2 2 13 VAL HG23 H -6.598 -9.355 -3.434 1.00 . B A . 13 VAL HG23 1 1 9 7250 2 2 13 VAL N N -6.304 -10.031 -0.955 1.00 . B A . 13 VAL N 1 1 9 7251 2 2 13 VAL O O -2.881 -10.660 -0.768 1.00 . B A . 13 VAL O 1 1 9 7252 2 2 14 GLY C C -2.399 -7.051 -2.430 1.00 . B A . 14 GLY C 1 1 9 7253 2 2 14 GLY CA C -2.615 -8.006 -1.313 1.00 . B A . 14 GLY CA 1 1 9 7254 2 2 14 GLY H H -4.582 -8.376 -1.953 1.00 . B A . 14 GLY H 1 1 9 7255 2 2 14 GLY HA2 H -2.682 -7.462 -0.384 1.00 . B A . 14 GLY HA2 1 1 9 7256 2 2 14 GLY HA3 H -1.758 -8.650 -1.249 1.00 . B A . 14 GLY HA3 1 1 9 7257 2 2 14 GLY N N -3.796 -8.789 -1.535 1.00 . B A . 14 GLY N 1 1 9 7258 2 2 14 GLY O O -3.130 -7.090 -3.427 1.00 . B A . 14 GLY O 1 1 9 7259 2 2 15 CYS C C 0.321 -4.837 -3.187 1.00 . B A . 15 CYS C 1 1 9 7260 2 2 15 CYS CA C -1.122 -5.238 -3.305 1.00 . B A . 15 CYS CA 1 1 9 7261 2 2 15 CYS CB C -2.015 -4.012 -3.190 1.00 . B A . 15 CYS CB 1 1 9 7262 2 2 15 CYS H H -0.909 -6.173 -1.457 1.00 . B A . 15 CYS H 1 1 9 7263 2 2 15 CYS HA H -1.289 -5.704 -4.263 1.00 . B A . 15 CYS HA 1 1 9 7264 2 2 15 CYS HB2 H -1.704 -3.286 -3.927 1.00 . B A . 15 CYS HB2 1 1 9 7265 2 2 15 CYS HB3 H -3.034 -4.300 -3.390 1.00 . B A . 15 CYS HB3 1 1 9 7266 2 2 15 CYS N N -1.442 -6.194 -2.283 1.00 . B A . 15 CYS N 1 1 9 7267 2 2 15 CYS O O 0.958 -5.047 -2.131 1.00 . B A . 15 CYS O 1 1 9 7268 2 2 15 CYS SG S -1.948 -3.215 -1.561 1.00 . B A . 15 CYS SG 1 1 9 7269 2 2 16 THR C C 2.290 -2.501 -3.603 1.00 . B A . 16 THR C 1 1 9 7270 2 2 16 THR CA C 2.183 -3.848 -4.265 1.00 . B A . 16 THR CA 1 1 9 7271 2 2 16 THR CB C 2.737 -3.807 -5.703 1.00 . B A . 16 THR CB 1 1 9 7272 2 2 16 THR CG2 C 2.956 -5.208 -6.233 1.00 . B A . 16 THR CG2 1 1 9 7273 2 2 16 THR H H 0.295 -4.127 -5.029 1.00 . B A . 16 THR H 1 1 9 7274 2 2 16 THR HA H 2.762 -4.555 -3.694 1.00 . B A . 16 THR HA 1 1 9 7275 2 2 16 THR HB H 3.680 -3.282 -5.691 1.00 . B A . 16 THR HB 1 1 9 7276 2 2 16 THR HG1 H 1.151 -3.728 -6.871 1.00 . B A . 16 THR HG1 1 1 9 7277 2 2 16 THR HG21 H 3.689 -5.713 -5.622 1.00 . B A . 16 THR HG21 1 1 9 7278 2 2 16 THR HG22 H 3.315 -5.154 -7.251 1.00 . B A . 16 THR HG22 1 1 9 7279 2 2 16 THR HG23 H 2.025 -5.754 -6.206 1.00 . B A . 16 THR HG23 1 1 9 7280 2 2 16 THR N N 0.844 -4.282 -4.237 1.00 . B A . 16 THR N 1 1 9 7281 2 2 16 THR O O 1.337 -1.741 -3.571 1.00 . B A . 16 THR O 1 1 9 7282 2 2 16 THR OG1 O 1.825 -3.105 -6.566 1.00 . B A . 16 THR OG1 1 1 9 7283 2 2 17 LYS C C 3.512 0.226 -3.251 1.00 . B A . 17 LYS C 1 1 9 7284 2 2 17 LYS CA C 3.702 -0.990 -2.348 1.00 . B A . 17 LYS CA 1 1 9 7285 2 2 17 LYS CB C 5.113 -1.085 -1.771 1.00 . B A . 17 LYS CB 1 1 9 7286 2 2 17 LYS CD C 4.494 -0.634 0.607 1.00 . B A . 17 LYS CD 1 1 9 7287 2 2 17 LYS CE C 4.941 -0.017 1.917 1.00 . B A . 17 LYS CE 1 1 9 7288 2 2 17 LYS CG C 5.399 -0.233 -0.553 1.00 . B A . 17 LYS CG 1 1 9 7289 2 2 17 LYS H H 4.120 -2.915 -3.193 1.00 . B A . 17 LYS H 1 1 9 7290 2 2 17 LYS HA H 2.985 -0.862 -1.549 1.00 . B A . 17 LYS HA 1 1 9 7291 2 2 17 LYS HB2 H 5.208 -2.112 -1.463 1.00 . B A . 17 LYS HB2 1 1 9 7292 2 2 17 LYS HB3 H 5.879 -0.905 -2.514 1.00 . B A . 17 LYS HB3 1 1 9 7293 2 2 17 LYS HD2 H 3.488 -0.301 0.403 1.00 . B A . 17 LYS HD2 1 1 9 7294 2 2 17 LYS HD3 H 4.506 -1.709 0.704 1.00 . B A . 17 LYS HD3 1 1 9 7295 2 2 17 LYS HE2 H 4.936 1.059 1.821 1.00 . B A . 17 LYS HE2 1 1 9 7296 2 2 17 LYS HE3 H 4.254 -0.311 2.695 1.00 . B A . 17 LYS HE3 1 1 9 7297 2 2 17 LYS HG2 H 6.425 -0.413 -0.265 1.00 . B A . 17 LYS HG2 1 1 9 7298 2 2 17 LYS HG3 H 5.248 0.810 -0.789 1.00 . B A . 17 LYS HG3 1 1 9 7299 2 2 17 LYS HZ1 H 7.032 -0.023 1.689 1.00 . B A . 17 LYS HZ1 1 1 9 7300 2 2 17 LYS HZ2 H 6.395 -1.500 2.228 1.00 . B A . 17 LYS HZ2 1 1 9 7301 2 2 17 LYS HZ3 H 6.506 -0.186 3.267 1.00 . B A . 17 LYS HZ3 1 1 9 7302 2 2 17 LYS N N 3.430 -2.219 -3.087 1.00 . B A . 17 LYS N 1 1 9 7303 2 2 17 LYS NZ N 6.300 -0.457 2.287 1.00 . B A . 17 LYS NZ 1 1 9 7304 2 2 17 LYS O O 3.071 1.281 -2.803 1.00 . B A . 17 LYS O 1 1 9 7305 2 2 18 ARG C C 2.054 1.239 -5.812 1.00 . B A . 18 ARG C 1 1 9 7306 2 2 18 ARG CA C 3.540 1.102 -5.509 1.00 . B A . 18 ARG CA 1 1 9 7307 2 2 18 ARG CB C 4.319 0.887 -6.796 1.00 . B A . 18 ARG CB 1 1 9 7308 2 2 18 ARG CD C 6.233 2.387 -6.103 1.00 . B A . 18 ARG CD 1 1 9 7309 2 2 18 ARG CG C 5.819 1.016 -6.648 1.00 . B A . 18 ARG CG 1 1 9 7310 2 2 18 ARG CZ C 6.125 4.800 -6.765 1.00 . B A . 18 ARG CZ 1 1 9 7311 2 2 18 ARG H H 4.171 -0.811 -4.804 1.00 . B A . 18 ARG H 1 1 9 7312 2 2 18 ARG HA H 3.862 2.027 -5.055 1.00 . B A . 18 ARG HA 1 1 9 7313 2 2 18 ARG HB2 H 4.100 -0.105 -7.163 1.00 . B A . 18 ARG HB2 1 1 9 7314 2 2 18 ARG HB3 H 3.974 1.610 -7.517 1.00 . B A . 18 ARG HB3 1 1 9 7315 2 2 18 ARG HD2 H 5.769 2.546 -5.142 1.00 . B A . 18 ARG HD2 1 1 9 7316 2 2 18 ARG HD3 H 7.305 2.389 -5.981 1.00 . B A . 18 ARG HD3 1 1 9 7317 2 2 18 ARG HE H 5.431 3.216 -7.835 1.00 . B A . 18 ARG HE 1 1 9 7318 2 2 18 ARG HG2 H 6.165 0.251 -5.969 1.00 . B A . 18 ARG HG2 1 1 9 7319 2 2 18 ARG HG3 H 6.275 0.869 -7.616 1.00 . B A . 18 ARG HG3 1 1 9 7320 2 2 18 ARG HH11 H 6.865 4.570 -4.856 1.00 . B A . 18 ARG HH11 1 1 9 7321 2 2 18 ARG HH12 H 6.874 6.169 -5.441 1.00 . B A . 18 ARG HH12 1 1 9 7322 2 2 18 ARG HH21 H 5.417 5.453 -8.567 1.00 . B A . 18 ARG HH21 1 1 9 7323 2 2 18 ARG HH22 H 6.051 6.675 -7.547 1.00 . B A . 18 ARG HH22 1 1 9 7324 2 2 18 ARG N N 3.785 0.049 -4.532 1.00 . B A . 18 ARG N 1 1 9 7325 2 2 18 ARG NE N 5.863 3.493 -6.992 1.00 . B A . 18 ARG NE 1 1 9 7326 2 2 18 ARG NH1 N 6.651 5.199 -5.603 1.00 . B A . 18 ARG NH1 1 1 9 7327 2 2 18 ARG NH2 N 5.836 5.703 -7.690 1.00 . B A . 18 ARG NH2 1 1 9 7328 2 2 18 ARG O O 1.595 2.292 -6.256 1.00 . B A . 18 ARG O 1 1 9 7329 2 2 19 SER C C -0.750 1.042 -4.641 1.00 . B A . 19 SER C 1 1 9 7330 2 2 19 SER CA C -0.102 0.192 -5.741 1.00 . B A . 19 SER CA 1 1 9 7331 2 2 19 SER CB C -0.638 -1.253 -5.758 1.00 . B A . 19 SER CB 1 1 9 7332 2 2 19 SER H H 1.738 -0.600 -5.160 1.00 . B A . 19 SER H 1 1 9 7333 2 2 19 SER HA H -0.291 0.661 -6.697 1.00 . B A . 19 SER HA 1 1 9 7334 2 2 19 SER HB2 H -0.027 -1.834 -6.431 1.00 . B A . 19 SER HB2 1 1 9 7335 2 2 19 SER HB3 H -0.554 -1.681 -4.768 1.00 . B A . 19 SER HB3 1 1 9 7336 2 2 19 SER HG H -1.944 -1.267 -7.160 1.00 . B A . 19 SER HG 1 1 9 7337 2 2 19 SER N N 1.316 0.199 -5.535 1.00 . B A . 19 SER N 1 1 9 7338 2 2 19 SER O O -1.661 1.815 -4.905 1.00 . B A . 19 SER O 1 1 9 7339 2 2 19 SER OG O -1.978 -1.324 -6.197 1.00 . B A . 19 SER OG 1 1 9 7340 2 2 20 LEU C C -0.254 3.234 -2.647 1.00 . B A . 20 LEU C 1 1 9 7341 2 2 20 LEU CA C -0.745 1.848 -2.364 1.00 . B A . 20 LEU CA 1 1 9 7342 2 2 20 LEU CB C -0.390 1.472 -0.895 1.00 . B A . 20 LEU CB 1 1 9 7343 2 2 20 LEU CD1 C 0.434 -0.887 -0.834 1.00 . B A . 20 LEU CD1 1 1 9 7344 2 2 20 LEU CD2 C -0.818 0.003 1.090 1.00 . B A . 20 LEU CD2 1 1 9 7345 2 2 20 LEU CG C -0.660 0.043 -0.412 1.00 . B A . 20 LEU CG 1 1 9 7346 2 2 20 LEU H H 0.446 0.271 -3.222 1.00 . B A . 20 LEU H 1 1 9 7347 2 2 20 LEU HA H -1.813 1.905 -2.485 1.00 . B A . 20 LEU HA 1 1 9 7348 2 2 20 LEU HB2 H 0.609 1.776 -0.629 1.00 . B A . 20 LEU HB2 1 1 9 7349 2 2 20 LEU HB3 H -1.026 2.107 -0.298 1.00 . B A . 20 LEU HB3 1 1 9 7350 2 2 20 LEU HD11 H 0.185 -1.889 -0.521 1.00 . B A . 20 LEU HD11 1 1 9 7351 2 2 20 LEU HD12 H 1.353 -0.582 -0.355 1.00 . B A . 20 LEU HD12 1 1 9 7352 2 2 20 LEU HD13 H 0.553 -0.862 -1.906 1.00 . B A . 20 LEU HD13 1 1 9 7353 2 2 20 LEU HD21 H -1.667 0.598 1.390 1.00 . B A . 20 LEU HD21 1 1 9 7354 2 2 20 LEU HD22 H 0.083 0.390 1.543 1.00 . B A . 20 LEU HD22 1 1 9 7355 2 2 20 LEU HD23 H -0.961 -1.022 1.399 1.00 . B A . 20 LEU HD23 1 1 9 7356 2 2 20 LEU HG H -1.581 -0.304 -0.854 1.00 . B A . 20 LEU HG 1 1 9 7357 2 2 20 LEU N N -0.234 0.954 -3.406 1.00 . B A . 20 LEU N 1 1 9 7358 2 2 20 LEU O O -0.957 4.201 -2.424 1.00 . B A . 20 LEU O 1 1 9 7359 2 2 21 ALA C C 0.774 5.412 -4.527 1.00 . B A . 21 ALA C 1 1 9 7360 2 2 21 ALA CA C 1.591 4.586 -3.538 1.00 . B A . 21 ALA CA 1 1 9 7361 2 2 21 ALA CB C 2.966 4.353 -4.115 1.00 . B A . 21 ALA CB 1 1 9 7362 2 2 21 ALA H H 1.408 2.445 -3.296 1.00 . B A . 21 ALA H 1 1 9 7363 2 2 21 ALA HA H 1.707 5.157 -2.628 1.00 . B A . 21 ALA HA 1 1 9 7364 2 2 21 ALA HB1 H 3.467 5.300 -4.251 1.00 . B A . 21 ALA HB1 1 1 9 7365 2 2 21 ALA HB2 H 2.864 3.866 -5.073 1.00 . B A . 21 ALA HB2 1 1 9 7366 2 2 21 ALA HB3 H 3.542 3.728 -3.448 1.00 . B A . 21 ALA HB3 1 1 9 7367 2 2 21 ALA N N 0.946 3.308 -3.181 1.00 . B A . 21 ALA N 1 1 9 7368 2 2 21 ALA O O 0.760 6.633 -4.453 1.00 . B A . 21 ALA O 1 1 9 7369 2 2 22 ARG C C -2.061 5.886 -5.976 1.00 . B A . 22 ARG C 1 1 9 7370 2 2 22 ARG CA C -0.685 5.451 -6.471 1.00 . B A . 22 ARG CA 1 1 9 7371 2 2 22 ARG CB C -0.789 4.637 -7.771 1.00 . B A . 22 ARG CB 1 1 9 7372 2 2 22 ARG CD C -1.433 2.499 -8.919 1.00 . B A . 22 ARG CD 1 1 9 7373 2 2 22 ARG CG C -1.326 3.235 -7.598 1.00 . B A . 22 ARG CG 1 1 9 7374 2 2 22 ARG CZ C -2.814 2.610 -10.984 1.00 . B A . 22 ARG CZ 1 1 9 7375 2 2 22 ARG H H 0.108 3.767 -5.432 1.00 . B A . 22 ARG H 1 1 9 7376 2 2 22 ARG HA H -0.134 6.355 -6.684 1.00 . B A . 22 ARG HA 1 1 9 7377 2 2 22 ARG HB2 H -1.455 5.159 -8.441 1.00 . B A . 22 ARG HB2 1 1 9 7378 2 2 22 ARG HB3 H 0.188 4.577 -8.228 1.00 . B A . 22 ARG HB3 1 1 9 7379 2 2 22 ARG HD2 H -0.476 2.540 -9.419 1.00 . B A . 22 ARG HD2 1 1 9 7380 2 2 22 ARG HD3 H -1.692 1.469 -8.725 1.00 . B A . 22 ARG HD3 1 1 9 7381 2 2 22 ARG HE H -2.909 3.881 -9.422 1.00 . B A . 22 ARG HE 1 1 9 7382 2 2 22 ARG HG2 H -0.660 2.692 -6.945 1.00 . B A . 22 ARG HG2 1 1 9 7383 2 2 22 ARG HG3 H -2.304 3.292 -7.144 1.00 . B A . 22 ARG HG3 1 1 9 7384 2 2 22 ARG HH11 H -1.368 1.149 -11.085 1.00 . B A . 22 ARG HH11 1 1 9 7385 2 2 22 ARG HH12 H -2.416 1.192 -12.418 1.00 . B A . 22 ARG HH12 1 1 9 7386 2 2 22 ARG HH21 H -4.317 3.961 -11.246 1.00 . B A . 22 ARG HH21 1 1 9 7387 2 2 22 ARG HH22 H -4.141 2.855 -12.533 1.00 . B A . 22 ARG HH22 1 1 9 7388 2 2 22 ARG N N 0.089 4.748 -5.444 1.00 . B A . 22 ARG N 1 1 9 7389 2 2 22 ARG NE N -2.450 3.088 -9.790 1.00 . B A . 22 ARG NE 1 1 9 7390 2 2 22 ARG NH1 N -2.153 1.585 -11.533 1.00 . B A . 22 ARG NH1 1 1 9 7391 2 2 22 ARG NH2 N -3.825 3.178 -11.638 1.00 . B A . 22 ARG NH2 1 1 9 7392 2 2 22 ARG O O -2.863 6.396 -6.740 1.00 . B A . 22 ARG O 1 1 9 7393 2 2 23 PHE C C -3.268 6.925 -2.860 1.00 . B A . 23 PHE C 1 1 9 7394 2 2 23 PHE CA C -3.569 6.145 -4.112 1.00 . B A . 23 PHE CA 1 1 9 7395 2 2 23 PHE CB C -4.536 4.991 -3.832 1.00 . B A . 23 PHE CB 1 1 9 7396 2 2 23 PHE CD1 C -6.031 4.898 -5.841 1.00 . B A . 23 PHE CD1 1 1 9 7397 2 2 23 PHE CD2 C -4.525 3.091 -5.488 1.00 . B A . 23 PHE CD2 1 1 9 7398 2 2 23 PHE CE1 C -6.496 4.289 -6.984 1.00 . B A . 23 PHE CE1 1 1 9 7399 2 2 23 PHE CE2 C -4.988 2.475 -6.633 1.00 . B A . 23 PHE CE2 1 1 9 7400 2 2 23 PHE CG C -5.041 4.309 -5.078 1.00 . B A . 23 PHE CG 1 1 9 7401 2 2 23 PHE CZ C -5.976 3.075 -7.383 1.00 . B A . 23 PHE CZ 1 1 9 7402 2 2 23 PHE H H -1.652 5.231 -4.160 1.00 . B A . 23 PHE H 1 1 9 7403 2 2 23 PHE HA H -4.020 6.829 -4.811 1.00 . B A . 23 PHE HA 1 1 9 7404 2 2 23 PHE HB2 H -4.030 4.257 -3.223 1.00 . B A . 23 PHE HB2 1 1 9 7405 2 2 23 PHE HB3 H -5.385 5.378 -3.289 1.00 . B A . 23 PHE HB3 1 1 9 7406 2 2 23 PHE HD1 H -6.442 5.848 -5.532 1.00 . B A . 23 PHE HD1 1 1 9 7407 2 2 23 PHE HD2 H -3.748 2.619 -4.906 1.00 . B A . 23 PHE HD2 1 1 9 7408 2 2 23 PHE HE1 H -7.268 4.769 -7.567 1.00 . B A . 23 PHE HE1 1 1 9 7409 2 2 23 PHE HE2 H -4.577 1.524 -6.940 1.00 . B A . 23 PHE HE2 1 1 9 7410 2 2 23 PHE HZ H -6.340 2.597 -8.280 1.00 . B A . 23 PHE HZ 1 1 9 7411 2 2 23 PHE N N -2.326 5.685 -4.709 1.00 . B A . 23 PHE N 1 1 9 7412 2 2 23 PHE O O -3.656 8.076 -2.728 1.00 . B A . 23 PHE O 1 1 9 7413 2 2 24 CYS C C -3.098 7.563 0.083 1.00 . B A . 24 CYS C 1 1 9 7414 2 2 24 CYS CA C -2.019 6.822 -0.722 1.00 . B A . 24 CYS CA 1 1 9 7415 2 2 24 CYS CB C -0.813 7.730 -1.031 1.00 . B A . 24 CYS CB 1 1 9 7416 2 2 24 CYS H H -2.313 5.350 -2.217 1.00 . B A . 24 CYS H 1 1 9 7417 2 2 24 CYS HA H -1.672 5.987 -0.131 1.00 . B A . 24 CYS HA 1 1 9 7418 2 2 24 CYS HB2 H -0.193 7.246 -1.772 1.00 . B A . 24 CYS HB2 1 1 9 7419 2 2 24 CYS HB3 H -1.185 8.656 -1.442 1.00 . B A . 24 CYS HB3 1 1 9 7420 2 2 24 CYS N N -2.544 6.275 -1.980 1.00 . B A . 24 CYS N 1 1 9 7421 2 2 24 CYS O O -3.240 8.787 -0.008 1.00 . B A . 24 CYS O 1 1 9 7422 2 2 24 CYS SG S 0.268 8.141 0.387 1.00 . B A . 24 CYS SG 1 1 9 7423 2 2 25 NH2 HN1 H -3.711 5.864 0.888 1.00 . B A . 25 NH2 HN1 1 1 9 7424 2 2 25 NH2 HN2 H -4.572 7.278 1.363 1.00 . B A . 25 NH2 HN2 1 1 9 7425 2 2 25 NH2 N N -3.867 6.832 0.851 1.00 . B A . 25 NH2 N 1 1 10 7426 1 1 1 ASP C C 12.484 -2.824 0.259 1.00 . A B . 1 ASP C 1 1 10 7427 1 1 1 ASP CA C 12.244 -3.384 1.651 1.00 . A B . 1 ASP CA 1 1 10 7428 1 1 1 ASP CB C 13.480 -3.171 2.506 1.00 . A B . 1 ASP CB 1 1 10 7429 1 1 1 ASP CG C 14.718 -3.837 1.966 1.00 . A B . 1 ASP CG 1 1 10 7430 1 1 1 ASP H1 H 11.043 -4.952 1.002 1.00 . A B . 1 ASP H1 1 1 10 7431 1 1 1 ASP H2 H 11.618 -5.116 2.576 1.00 . A B . 1 ASP H2 1 1 10 7432 1 1 1 ASP H3 H 12.666 -5.398 1.287 1.00 . A B . 1 ASP H3 1 1 10 7433 1 1 1 ASP HA H 11.424 -2.822 2.069 1.00 . A B . 1 ASP HA 1 1 10 7434 1 1 1 ASP HB2 H 13.677 -2.111 2.473 1.00 . A B . 1 ASP HB2 1 1 10 7435 1 1 1 ASP HB3 H 13.303 -3.494 3.521 1.00 . A B . 1 ASP HB3 1 1 10 7436 1 1 1 ASP N N 11.876 -4.808 1.616 1.00 . A B . 1 ASP N 1 1 10 7437 1 1 1 ASP O O 12.237 -1.652 0.015 1.00 . A B . 1 ASP O 1 1 10 7438 1 1 1 ASP OD1 O 14.629 -4.992 1.479 1.00 . A B . 1 ASP OD1 1 1 10 7439 1 1 1 ASP OD2 O 15.800 -3.228 2.040 1.00 . A B . 1 ASP OD2 1 1 10 7440 1 1 2 SER C C 11.873 -3.019 -2.709 1.00 . A B . 2 SER C 1 1 10 7441 1 1 2 SER CA C 13.187 -3.202 -2.000 1.00 . A B . 2 SER CA 1 1 10 7442 1 1 2 SER CB C 14.105 -4.127 -2.758 1.00 . A B . 2 SER CB 1 1 10 7443 1 1 2 SER H H 13.211 -4.549 -0.376 1.00 . A B . 2 SER H 1 1 10 7444 1 1 2 SER HA H 13.651 -2.228 -1.930 1.00 . A B . 2 SER HA 1 1 10 7445 1 1 2 SER HB2 H 15.057 -4.012 -2.272 1.00 . A B . 2 SER HB2 1 1 10 7446 1 1 2 SER HB3 H 13.749 -5.145 -2.726 1.00 . A B . 2 SER HB3 1 1 10 7447 1 1 2 SER HG H 14.687 -4.438 -4.580 1.00 . A B . 2 SER HG 1 1 10 7448 1 1 2 SER N N 12.973 -3.640 -0.644 1.00 . A B . 2 SER N 1 1 10 7449 1 1 2 SER O O 11.079 -3.948 -2.848 1.00 . A B . 2 SER O 1 1 10 7450 1 1 2 SER OG O 14.287 -3.705 -4.094 1.00 . A B . 2 SER OG 1 1 10 7451 1 1 3 TRP C C 9.950 -2.095 -4.980 1.00 . A B . 3 TRP C 1 1 10 7452 1 1 3 TRP CA C 10.466 -1.328 -3.763 1.00 . A B . 3 TRP CA 1 1 10 7453 1 1 3 TRP CB C 10.607 0.158 -4.078 1.00 . A B . 3 TRP CB 1 1 10 7454 1 1 3 TRP CD1 C 12.247 1.613 -2.747 1.00 . A B . 3 TRP CD1 1 1 10 7455 1 1 3 TRP CD2 C 10.336 1.182 -1.656 1.00 . A B . 3 TRP CD2 1 1 10 7456 1 1 3 TRP CE2 C 11.156 1.980 -0.839 1.00 . A B . 3 TRP CE2 1 1 10 7457 1 1 3 TRP CE3 C 9.086 0.787 -1.160 1.00 . A B . 3 TRP CE3 1 1 10 7458 1 1 3 TRP CG C 11.053 0.969 -2.892 1.00 . A B . 3 TRP CG 1 1 10 7459 1 1 3 TRP CH2 C 9.561 1.981 0.889 1.00 . A B . 3 TRP CH2 1 1 10 7460 1 1 3 TRP CZ2 C 10.778 2.388 0.434 1.00 . A B . 3 TRP CZ2 1 1 10 7461 1 1 3 TRP CZ3 C 8.719 1.190 0.105 1.00 . A B . 3 TRP CZ3 1 1 10 7462 1 1 3 TRP H H 12.542 -1.307 -3.235 1.00 . A B . 3 TRP H 1 1 10 7463 1 1 3 TRP HA H 9.729 -1.424 -2.980 1.00 . A B . 3 TRP HA 1 1 10 7464 1 1 3 TRP HB2 H 11.340 0.282 -4.861 1.00 . A B . 3 TRP HB2 1 1 10 7465 1 1 3 TRP HB3 H 9.658 0.543 -4.416 1.00 . A B . 3 TRP HB3 1 1 10 7466 1 1 3 TRP HD1 H 13.047 1.659 -3.475 1.00 . A B . 3 TRP HD1 1 1 10 7467 1 1 3 TRP HE1 H 13.047 2.761 -1.185 1.00 . A B . 3 TRP HE1 1 1 10 7468 1 1 3 TRP HE3 H 8.406 0.180 -1.737 1.00 . A B . 3 TRP HE3 1 1 10 7469 1 1 3 TRP HH2 H 9.230 2.271 1.874 1.00 . A B . 3 TRP HH2 1 1 10 7470 1 1 3 TRP HZ2 H 11.417 3.000 1.052 1.00 . A B . 3 TRP HZ2 1 1 10 7471 1 1 3 TRP HZ3 H 7.768 0.882 0.510 1.00 . A B . 3 TRP HZ3 1 1 10 7472 1 1 3 TRP N N 11.722 -1.842 -3.221 1.00 . A B . 3 TRP N 1 1 10 7473 1 1 3 TRP NE1 N 12.297 2.230 -1.528 1.00 . A B . 3 TRP NE1 1 1 10 7474 1 1 3 TRP O O 8.755 -2.069 -5.272 1.00 . A B . 3 TRP O 1 1 10 7475 1 1 4 MET C C 9.897 -4.933 -6.462 1.00 . A B . 4 MET C 1 1 10 7476 1 1 4 MET CA C 10.428 -3.553 -6.843 1.00 . A B . 4 MET CA 1 1 10 7477 1 1 4 MET CB C 11.600 -3.700 -7.827 1.00 . A B . 4 MET CB 1 1 10 7478 1 1 4 MET CE C 13.771 -0.885 -10.030 1.00 . A B . 4 MET CE 1 1 10 7479 1 1 4 MET CG C 12.107 -2.384 -8.392 1.00 . A B . 4 MET CG 1 1 10 7480 1 1 4 MET H H 11.760 -2.799 -5.365 1.00 . A B . 4 MET H 1 1 10 7481 1 1 4 MET HA H 9.636 -3.004 -7.330 1.00 . A B . 4 MET HA 1 1 10 7482 1 1 4 MET HB2 H 12.419 -4.185 -7.319 1.00 . A B . 4 MET HB2 1 1 10 7483 1 1 4 MET HB3 H 11.283 -4.324 -8.651 1.00 . A B . 4 MET HB3 1 1 10 7484 1 1 4 MET HE1 H 12.877 -0.445 -10.442 1.00 . A B . 4 MET HE1 1 1 10 7485 1 1 4 MET HE2 H 14.564 -0.848 -10.763 1.00 . A B . 4 MET HE2 1 1 10 7486 1 1 4 MET HE3 H 14.070 -0.334 -9.150 1.00 . A B . 4 MET HE3 1 1 10 7487 1 1 4 MET HG2 H 11.288 -1.882 -8.886 1.00 . A B . 4 MET HG2 1 1 10 7488 1 1 4 MET HG3 H 12.457 -1.770 -7.576 1.00 . A B . 4 MET HG3 1 1 10 7489 1 1 4 MET N N 10.826 -2.793 -5.663 1.00 . A B . 4 MET N 1 1 10 7490 1 1 4 MET O O 9.313 -5.637 -7.296 1.00 . A B . 4 MET O 1 1 10 7491 1 1 4 MET SD S 13.450 -2.594 -9.581 1.00 . A B . 4 MET SD 1 1 10 7492 1 1 5 GLU C C 8.724 -6.572 -3.562 1.00 . A B . 5 GLU C 1 1 10 7493 1 1 5 GLU CA C 9.688 -6.639 -4.749 1.00 . A B . 5 GLU CA 1 1 10 7494 1 1 5 GLU CB C 10.955 -7.380 -4.321 1.00 . A B . 5 GLU CB 1 1 10 7495 1 1 5 GLU CD C 13.301 -8.082 -4.848 1.00 . A B . 5 GLU CD 1 1 10 7496 1 1 5 GLU CG C 12.031 -7.492 -5.391 1.00 . A B . 5 GLU CG 1 1 10 7497 1 1 5 GLU H H 10.427 -4.669 -4.549 1.00 . A B . 5 GLU H 1 1 10 7498 1 1 5 GLU HA H 9.219 -7.177 -5.559 1.00 . A B . 5 GLU HA 1 1 10 7499 1 1 5 GLU HB2 H 11.383 -6.862 -3.476 1.00 . A B . 5 GLU HB2 1 1 10 7500 1 1 5 GLU HB3 H 10.680 -8.378 -4.012 1.00 . A B . 5 GLU HB3 1 1 10 7501 1 1 5 GLU HG2 H 11.669 -8.121 -6.191 1.00 . A B . 5 GLU HG2 1 1 10 7502 1 1 5 GLU HG3 H 12.240 -6.505 -5.776 1.00 . A B . 5 GLU HG3 1 1 10 7503 1 1 5 GLU N N 10.054 -5.301 -5.204 1.00 . A B . 5 GLU N 1 1 10 7504 1 1 5 GLU O O 8.536 -7.567 -2.840 1.00 . A B . 5 GLU O 1 1 10 7505 1 1 5 GLU OE1 O 13.367 -9.320 -4.660 1.00 . A B . 5 GLU OE1 1 1 10 7506 1 1 5 GLU OE2 O 14.254 -7.319 -4.568 1.00 . A B . 5 GLU OE2 1 1 10 7507 1 1 6 GLU C C 5.781 -5.540 -2.598 1.00 . A B . 6 GLU C 1 1 10 7508 1 1 6 GLU CA C 7.227 -5.246 -2.257 1.00 . A B . 6 GLU CA 1 1 10 7509 1 1 6 GLU CB C 7.311 -3.834 -1.730 1.00 . A B . 6 GLU CB 1 1 10 7510 1 1 6 GLU CD C 9.005 -4.149 0.093 1.00 . A B . 6 GLU CD 1 1 10 7511 1 1 6 GLU CG C 8.636 -3.403 -1.151 1.00 . A B . 6 GLU CG 1 1 10 7512 1 1 6 GLU H H 8.168 -4.739 -4.053 1.00 . A B . 6 GLU H 1 1 10 7513 1 1 6 GLU HA H 7.546 -5.918 -1.473 1.00 . A B . 6 GLU HA 1 1 10 7514 1 1 6 GLU HB2 H 7.043 -3.146 -2.516 1.00 . A B . 6 GLU HB2 1 1 10 7515 1 1 6 GLU HB3 H 6.569 -3.791 -0.947 1.00 . A B . 6 GLU HB3 1 1 10 7516 1 1 6 GLU HG2 H 9.407 -3.575 -1.889 1.00 . A B . 6 GLU HG2 1 1 10 7517 1 1 6 GLU HG3 H 8.588 -2.349 -0.923 1.00 . A B . 6 GLU HG3 1 1 10 7518 1 1 6 GLU N N 8.093 -5.446 -3.384 1.00 . A B . 6 GLU N 1 1 10 7519 1 1 6 GLU O O 5.171 -4.884 -3.439 1.00 . A B . 6 GLU O 1 1 10 7520 1 1 6 GLU OE1 O 8.547 -3.763 1.188 1.00 . A B . 6 GLU OE1 1 1 10 7521 1 1 6 GLU OE2 O 9.788 -5.122 0.020 1.00 . A B . 6 GLU OE2 1 1 10 7522 1 1 7 VAL C C 3.392 -7.209 -0.638 1.00 . A B . 7 VAL C 1 1 10 7523 1 1 7 VAL CA C 3.864 -6.858 -2.026 1.00 . A B . 7 VAL CA 1 1 10 7524 1 1 7 VAL CB C 3.588 -8.027 -3.038 1.00 . A B . 7 VAL CB 1 1 10 7525 1 1 7 VAL CG1 C 4.382 -9.284 -2.696 1.00 . A B . 7 VAL CG1 1 1 10 7526 1 1 7 VAL CG2 C 2.087 -8.336 -3.122 1.00 . A B . 7 VAL CG2 1 1 10 7527 1 1 7 VAL H H 5.844 -6.970 -1.314 1.00 . A B . 7 VAL H 1 1 10 7528 1 1 7 VAL HA H 3.326 -5.973 -2.335 1.00 . A B . 7 VAL HA 1 1 10 7529 1 1 7 VAL HB H 3.915 -7.695 -4.013 1.00 . A B . 7 VAL HB 1 1 10 7530 1 1 7 VAL HG11 H 5.439 -9.067 -2.734 1.00 . A B . 7 VAL HG11 1 1 10 7531 1 1 7 VAL HG12 H 4.142 -10.061 -3.405 1.00 . A B . 7 VAL HG12 1 1 10 7532 1 1 7 VAL HG13 H 4.118 -9.613 -1.701 1.00 . A B . 7 VAL HG13 1 1 10 7533 1 1 7 VAL HG21 H 1.922 -9.156 -3.803 1.00 . A B . 7 VAL HG21 1 1 10 7534 1 1 7 VAL HG22 H 1.550 -7.467 -3.473 1.00 . A B . 7 VAL HG22 1 1 10 7535 1 1 7 VAL HG23 H 1.703 -8.593 -2.145 1.00 . A B . 7 VAL HG23 1 1 10 7536 1 1 7 VAL N N 5.256 -6.494 -1.934 1.00 . A B . 7 VAL N 1 1 10 7537 1 1 7 VAL O O 4.067 -7.961 0.081 1.00 . A B . 7 VAL O 1 1 10 7538 1 1 8 ILE C C 0.351 -7.186 1.091 1.00 . A B . 8 ILE C 1 1 10 7539 1 1 8 ILE CA C 1.818 -6.848 1.108 1.00 . A B . 8 ILE CA 1 1 10 7540 1 1 8 ILE CB C 2.026 -5.603 2.026 1.00 . A B . 8 ILE CB 1 1 10 7541 1 1 8 ILE CD1 C 1.338 -3.145 2.325 1.00 . A B . 8 ILE CD1 1 1 10 7542 1 1 8 ILE CG1 C 1.179 -4.425 1.527 1.00 . A B . 8 ILE CG1 1 1 10 7543 1 1 8 ILE CG2 C 3.505 -5.221 2.119 1.00 . A B . 8 ILE CG2 1 1 10 7544 1 1 8 ILE H H 1.773 -6.076 -0.846 1.00 . A B . 8 ILE H 1 1 10 7545 1 1 8 ILE HA H 2.369 -7.675 1.531 1.00 . A B . 8 ILE HA 1 1 10 7546 1 1 8 ILE HB H 1.698 -5.873 3.018 1.00 . A B . 8 ILE HB 1 1 10 7547 1 1 8 ILE HD11 H 2.369 -2.827 2.295 1.00 . A B . 8 ILE HD11 1 1 10 7548 1 1 8 ILE HD12 H 1.048 -3.324 3.349 1.00 . A B . 8 ILE HD12 1 1 10 7549 1 1 8 ILE HD13 H 0.711 -2.374 1.902 1.00 . A B . 8 ILE HD13 1 1 10 7550 1 1 8 ILE HG12 H 1.437 -4.249 0.497 1.00 . A B . 8 ILE HG12 1 1 10 7551 1 1 8 ILE HG13 H 0.139 -4.719 1.566 1.00 . A B . 8 ILE HG13 1 1 10 7552 1 1 8 ILE HG21 H 3.618 -4.372 2.776 1.00 . A B . 8 ILE HG21 1 1 10 7553 1 1 8 ILE HG22 H 3.868 -4.964 1.135 1.00 . A B . 8 ILE HG22 1 1 10 7554 1 1 8 ILE HG23 H 4.072 -6.055 2.501 1.00 . A B . 8 ILE HG23 1 1 10 7555 1 1 8 ILE N N 2.300 -6.634 -0.227 1.00 . A B . 8 ILE N 1 1 10 7556 1 1 8 ILE O O -0.350 -6.950 0.097 1.00 . A B . 8 ILE O 1 1 10 7557 1 1 9 LYS C C -1.872 -7.580 3.785 1.00 . A B . 9 LYS C 1 1 10 7558 1 1 9 LYS CA C -1.481 -8.031 2.393 1.00 . A B . 9 LYS CA 1 1 10 7559 1 1 9 LYS CB C -1.761 -9.526 2.168 1.00 . A B . 9 LYS CB 1 1 10 7560 1 1 9 LYS CD C -3.512 -11.337 1.914 1.00 . A B . 9 LYS CD 1 1 10 7561 1 1 9 LYS CE C -2.699 -12.372 2.676 1.00 . A B . 9 LYS CE 1 1 10 7562 1 1 9 LYS CG C -3.227 -9.916 2.371 1.00 . A B . 9 LYS CG 1 1 10 7563 1 1 9 LYS H H 0.551 -7.839 2.908 1.00 . A B . 9 LYS H 1 1 10 7564 1 1 9 LYS HA H -2.044 -7.445 1.679 1.00 . A B . 9 LYS HA 1 1 10 7565 1 1 9 LYS HB2 H -1.474 -9.789 1.161 1.00 . A B . 9 LYS HB2 1 1 10 7566 1 1 9 LYS HB3 H -1.160 -10.092 2.865 1.00 . A B . 9 LYS HB3 1 1 10 7567 1 1 9 LYS HD2 H -4.561 -11.545 2.063 1.00 . A B . 9 LYS HD2 1 1 10 7568 1 1 9 LYS HD3 H -3.284 -11.413 0.862 1.00 . A B . 9 LYS HD3 1 1 10 7569 1 1 9 LYS HE2 H -1.649 -12.150 2.558 1.00 . A B . 9 LYS HE2 1 1 10 7570 1 1 9 LYS HE3 H -2.964 -12.331 3.722 1.00 . A B . 9 LYS HE3 1 1 10 7571 1 1 9 LYS HG2 H -3.467 -9.834 3.421 1.00 . A B . 9 LYS HG2 1 1 10 7572 1 1 9 LYS HG3 H -3.847 -9.232 1.808 1.00 . A B . 9 LYS HG3 1 1 10 7573 1 1 9 LYS HZ1 H -2.732 -13.774 1.150 1.00 . A B . 9 LYS HZ1 1 1 10 7574 1 1 9 LYS HZ2 H -3.960 -13.988 2.263 1.00 . A B . 9 LYS HZ2 1 1 10 7575 1 1 9 LYS HZ3 H -2.374 -14.447 2.642 1.00 . A B . 9 LYS HZ3 1 1 10 7576 1 1 9 LYS N N -0.099 -7.702 2.187 1.00 . A B . 9 LYS N 1 1 10 7577 1 1 9 LYS NZ N -2.955 -13.732 2.166 1.00 . A B . 9 LYS NZ 1 1 10 7578 1 1 9 LYS O O -1.645 -8.280 4.781 1.00 . A B . 9 LYS O 1 1 10 7579 1 1 10 LEU C C -4.145 -5.232 4.946 1.00 . A B . 10 LEU C 1 1 10 7580 1 1 10 LEU CA C -2.741 -5.700 5.070 1.00 . A B . 10 LEU CA 1 1 10 7581 1 1 10 LEU CB C -1.820 -4.501 5.376 1.00 . A B . 10 LEU CB 1 1 10 7582 1 1 10 LEU CD1 C 0.330 -5.855 5.597 1.00 . A B . 10 LEU CD1 1 1 10 7583 1 1 10 LEU CD2 C 0.280 -3.502 6.323 1.00 . A B . 10 LEU CD2 1 1 10 7584 1 1 10 LEU CG C -0.536 -4.766 6.195 1.00 . A B . 10 LEU CG 1 1 10 7585 1 1 10 LEU H H -2.527 -5.904 2.998 1.00 . A B . 10 LEU H 1 1 10 7586 1 1 10 LEU HA H -2.698 -6.394 5.894 1.00 . A B . 10 LEU HA 1 1 10 7587 1 1 10 LEU HB2 H -1.558 -4.039 4.441 1.00 . A B . 10 LEU HB2 1 1 10 7588 1 1 10 LEU HB3 H -2.416 -3.784 5.923 1.00 . A B . 10 LEU HB3 1 1 10 7589 1 1 10 LEU HD11 H -0.232 -6.776 5.546 1.00 . A B . 10 LEU HD11 1 1 10 7590 1 1 10 LEU HD12 H 1.208 -5.999 6.209 1.00 . A B . 10 LEU HD12 1 1 10 7591 1 1 10 LEU HD13 H 0.621 -5.556 4.603 1.00 . A B . 10 LEU HD13 1 1 10 7592 1 1 10 LEU HD21 H -0.317 -2.715 6.759 1.00 . A B . 10 LEU HD21 1 1 10 7593 1 1 10 LEU HD22 H 0.607 -3.189 5.343 1.00 . A B . 10 LEU HD22 1 1 10 7594 1 1 10 LEU HD23 H 1.143 -3.687 6.947 1.00 . A B . 10 LEU HD23 1 1 10 7595 1 1 10 LEU HG H -0.862 -5.046 7.185 1.00 . A B . 10 LEU HG 1 1 10 7596 1 1 10 LEU N N -2.358 -6.372 3.842 1.00 . A B . 10 LEU N 1 1 10 7597 1 1 10 LEU O O -4.741 -5.357 3.885 1.00 . A B . 10 LEU O 1 1 10 7598 1 1 11 CYS C C -6.194 -3.017 6.907 1.00 . A B . 11 CYS C 1 1 10 7599 1 1 11 CYS CA C -6.051 -4.222 5.986 1.00 . A B . 11 CYS CA 1 1 10 7600 1 1 11 CYS CB C -7.010 -5.323 6.456 1.00 . A B . 11 CYS CB 1 1 10 7601 1 1 11 CYS H H -4.093 -4.574 6.788 1.00 . A B . 11 CYS H 1 1 10 7602 1 1 11 CYS HA H -6.306 -3.935 4.977 1.00 . A B . 11 CYS HA 1 1 10 7603 1 1 11 CYS HB2 H -6.843 -5.477 7.508 1.00 . A B . 11 CYS HB2 1 1 10 7604 1 1 11 CYS HB3 H -8.009 -4.947 6.301 1.00 . A B . 11 CYS HB3 1 1 10 7605 1 1 11 CYS N N -4.669 -4.687 5.995 1.00 . A B . 11 CYS N 1 1 10 7606 1 1 11 CYS O O -5.286 -2.730 7.683 1.00 . A B . 11 CYS O 1 1 10 7607 1 1 11 CYS SG S -6.871 -6.947 5.601 1.00 . A B . 11 CYS SG 1 1 10 7608 1 1 12 GLY C C -6.543 -0.166 7.869 1.00 . A B . 12 GLY C 1 1 10 7609 1 1 12 GLY CA C -7.647 -1.177 7.641 1.00 . A B . 12 GLY CA 1 1 10 7610 1 1 12 GLY H H -7.894 -2.501 6.010 1.00 . A B . 12 GLY H 1 1 10 7611 1 1 12 GLY HA2 H -8.502 -0.648 7.251 1.00 . A B . 12 GLY HA2 1 1 10 7612 1 1 12 GLY HA3 H -7.923 -1.598 8.596 1.00 . A B . 12 GLY HA3 1 1 10 7613 1 1 12 GLY N N -7.296 -2.288 6.759 1.00 . A B . 12 GLY N 1 1 10 7614 1 1 12 GLY O O -5.918 0.331 6.922 1.00 . A B . 12 GLY O 1 1 10 7615 1 1 13 ARG C C -3.866 0.611 9.123 1.00 . A B . 13 ARG C 1 1 10 7616 1 1 13 ARG CA C -5.250 1.060 9.544 1.00 . A B . 13 ARG CA 1 1 10 7617 1 1 13 ARG CB C -5.258 1.288 11.052 1.00 . A B . 13 ARG CB 1 1 10 7618 1 1 13 ARG CD C -7.005 3.092 10.984 1.00 . A B . 13 ARG CD 1 1 10 7619 1 1 13 ARG CG C -6.565 1.790 11.613 1.00 . A B . 13 ARG CG 1 1 10 7620 1 1 13 ARG CZ C -9.247 4.164 10.892 1.00 . A B . 13 ARG CZ 1 1 10 7621 1 1 13 ARG H H -6.831 -0.357 9.806 1.00 . A B . 13 ARG H 1 1 10 7622 1 1 13 ARG HA H -5.462 1.999 9.055 1.00 . A B . 13 ARG HA 1 1 10 7623 1 1 13 ARG HB2 H -5.025 0.355 11.542 1.00 . A B . 13 ARG HB2 1 1 10 7624 1 1 13 ARG HB3 H -4.489 2.007 11.291 1.00 . A B . 13 ARG HB3 1 1 10 7625 1 1 13 ARG HD2 H -6.252 3.844 11.163 1.00 . A B . 13 ARG HD2 1 1 10 7626 1 1 13 ARG HD3 H -7.134 2.948 9.922 1.00 . A B . 13 ARG HD3 1 1 10 7627 1 1 13 ARG HE H -8.366 3.324 12.513 1.00 . A B . 13 ARG HE 1 1 10 7628 1 1 13 ARG HG2 H -7.327 1.051 11.427 1.00 . A B . 13 ARG HG2 1 1 10 7629 1 1 13 ARG HG3 H -6.453 1.930 12.677 1.00 . A B . 13 ARG HG3 1 1 10 7630 1 1 13 ARG HH11 H -8.280 4.248 9.072 1.00 . A B . 13 ARG HH11 1 1 10 7631 1 1 13 ARG HH12 H -9.841 4.921 9.091 1.00 . A B . 13 ARG HH12 1 1 10 7632 1 1 13 ARG HH21 H -10.511 4.306 12.496 1.00 . A B . 13 ARG HH21 1 1 10 7633 1 1 13 ARG HH22 H -11.103 4.966 11.029 1.00 . A B . 13 ARG HH22 1 1 10 7634 1 1 13 ARG N N -6.280 0.101 9.134 1.00 . A B . 13 ARG N 1 1 10 7635 1 1 13 ARG NE N -8.273 3.536 11.556 1.00 . A B . 13 ARG NE 1 1 10 7636 1 1 13 ARG NH1 N -9.103 4.464 9.600 1.00 . A B . 13 ARG NH1 1 1 10 7637 1 1 13 ARG NH2 N -10.361 4.502 11.524 1.00 . A B . 13 ARG NH2 1 1 10 7638 1 1 13 ARG O O -2.977 1.439 8.943 1.00 . A B . 13 ARG O 1 1 10 7639 1 1 14 GLU C C -2.101 -0.797 7.124 1.00 . A B . 14 GLU C 1 1 10 7640 1 1 14 GLU CA C -2.412 -1.218 8.539 1.00 . A B . 14 GLU CA 1 1 10 7641 1 1 14 GLU CB C -2.414 -2.725 8.678 1.00 . A B . 14 GLU CB 1 1 10 7642 1 1 14 GLU CD C -1.347 -2.763 10.919 1.00 . A B . 14 GLU CD 1 1 10 7643 1 1 14 GLU CG C -2.529 -3.191 10.106 1.00 . A B . 14 GLU CG 1 1 10 7644 1 1 14 GLU H H -4.433 -1.327 9.000 1.00 . A B . 14 GLU H 1 1 10 7645 1 1 14 GLU HA H -1.666 -0.802 9.200 1.00 . A B . 14 GLU HA 1 1 10 7646 1 1 14 GLU HB2 H -3.254 -3.119 8.124 1.00 . A B . 14 GLU HB2 1 1 10 7647 1 1 14 GLU HB3 H -1.503 -3.121 8.260 1.00 . A B . 14 GLU HB3 1 1 10 7648 1 1 14 GLU HG2 H -3.421 -2.767 10.541 1.00 . A B . 14 GLU HG2 1 1 10 7649 1 1 14 GLU HG3 H -2.593 -4.268 10.121 1.00 . A B . 14 GLU HG3 1 1 10 7650 1 1 14 GLU N N -3.689 -0.688 8.927 1.00 . A B . 14 GLU N 1 1 10 7651 1 1 14 GLU O O -0.947 -0.495 6.791 1.00 . A B . 14 GLU O 1 1 10 7652 1 1 14 GLU OE1 O -0.318 -3.442 10.875 1.00 . A B . 14 GLU OE1 1 1 10 7653 1 1 14 GLU OE2 O -1.415 -1.728 11.610 1.00 . A B . 14 GLU OE2 1 1 10 7654 1 1 15 LEU C C -2.665 1.201 4.933 1.00 . A B . 15 LEU C 1 1 10 7655 1 1 15 LEU CA C -3.010 -0.260 4.933 1.00 . A B . 15 LEU CA 1 1 10 7656 1 1 15 LEU CB C -4.323 -0.414 4.178 1.00 . A B . 15 LEU CB 1 1 10 7657 1 1 15 LEU CD1 C -6.214 -1.791 3.400 1.00 . A B . 15 LEU CD1 1 1 10 7658 1 1 15 LEU CD2 C -3.901 -2.502 2.928 1.00 . A B . 15 LEU CD2 1 1 10 7659 1 1 15 LEU CG C -4.800 -1.816 3.923 1.00 . A B . 15 LEU CG 1 1 10 7660 1 1 15 LEU H H -4.016 -1.030 6.656 1.00 . A B . 15 LEU H 1 1 10 7661 1 1 15 LEU HA H -2.245 -0.827 4.426 1.00 . A B . 15 LEU HA 1 1 10 7662 1 1 15 LEU HB2 H -5.090 0.098 4.744 1.00 . A B . 15 LEU HB2 1 1 10 7663 1 1 15 LEU HB3 H -4.219 0.088 3.228 1.00 . A B . 15 LEU HB3 1 1 10 7664 1 1 15 LEU HD11 H -6.522 -2.794 3.147 1.00 . A B . 15 LEU HD11 1 1 10 7665 1 1 15 LEU HD12 H -6.267 -1.150 2.534 1.00 . A B . 15 LEU HD12 1 1 10 7666 1 1 15 LEU HD13 H -6.864 -1.407 4.172 1.00 . A B . 15 LEU HD13 1 1 10 7667 1 1 15 LEU HD21 H -4.262 -3.517 2.835 1.00 . A B . 15 LEU HD21 1 1 10 7668 1 1 15 LEU HD22 H -2.889 -2.522 3.302 1.00 . A B . 15 LEU HD22 1 1 10 7669 1 1 15 LEU HD23 H -3.946 -1.999 1.973 1.00 . A B . 15 LEU HD23 1 1 10 7670 1 1 15 LEU HG H -4.778 -2.379 4.843 1.00 . A B . 15 LEU HG 1 1 10 7671 1 1 15 LEU N N -3.146 -0.736 6.305 1.00 . A B . 15 LEU N 1 1 10 7672 1 1 15 LEU O O -1.768 1.614 4.232 1.00 . A B . 15 LEU O 1 1 10 7673 1 1 16 VAL C C -1.716 3.708 6.364 1.00 . A B . 16 VAL C 1 1 10 7674 1 1 16 VAL CA C -3.128 3.397 5.890 1.00 . A B . 16 VAL CA 1 1 10 7675 1 1 16 VAL CB C -4.162 4.061 6.848 1.00 . A B . 16 VAL CB 1 1 10 7676 1 1 16 VAL CG1 C -3.999 5.576 6.872 1.00 . A B . 16 VAL CG1 1 1 10 7677 1 1 16 VAL CG2 C -5.584 3.691 6.453 1.00 . A B . 16 VAL CG2 1 1 10 7678 1 1 16 VAL H H -3.989 1.514 6.379 1.00 . A B . 16 VAL H 1 1 10 7679 1 1 16 VAL HA H -3.250 3.811 4.899 1.00 . A B . 16 VAL HA 1 1 10 7680 1 1 16 VAL HB H -3.978 3.690 7.845 1.00 . A B . 16 VAL HB 1 1 10 7681 1 1 16 VAL HG11 H -3.001 5.824 7.203 1.00 . A B . 16 VAL HG11 1 1 10 7682 1 1 16 VAL HG12 H -4.720 6.004 7.551 1.00 . A B . 16 VAL HG12 1 1 10 7683 1 1 16 VAL HG13 H -4.158 5.971 5.879 1.00 . A B . 16 VAL HG13 1 1 10 7684 1 1 16 VAL HG21 H -6.281 4.162 7.129 1.00 . A B . 16 VAL HG21 1 1 10 7685 1 1 16 VAL HG22 H -5.704 2.618 6.503 1.00 . A B . 16 VAL HG22 1 1 10 7686 1 1 16 VAL HG23 H -5.777 4.026 5.445 1.00 . A B . 16 VAL HG23 1 1 10 7687 1 1 16 VAL N N -3.325 1.950 5.802 1.00 . A B . 16 VAL N 1 1 10 7688 1 1 16 VAL O O -1.054 4.589 5.829 1.00 . A B . 16 VAL O 1 1 10 7689 1 1 17 ARG C C 1.096 2.919 6.795 1.00 . A B . 17 ARG C 1 1 10 7690 1 1 17 ARG CA C 0.078 3.083 7.908 1.00 . A B . 17 ARG CA 1 1 10 7691 1 1 17 ARG CB C 0.289 1.976 8.928 1.00 . A B . 17 ARG CB 1 1 10 7692 1 1 17 ARG CD C 1.021 3.356 10.953 1.00 . A B . 17 ARG CD 1 1 10 7693 1 1 17 ARG CG C 1.381 2.220 9.980 1.00 . A B . 17 ARG CG 1 1 10 7694 1 1 17 ARG CZ C 0.058 5.561 10.242 1.00 . A B . 17 ARG CZ 1 1 10 7695 1 1 17 ARG H H -1.873 2.278 7.725 1.00 . A B . 17 ARG H 1 1 10 7696 1 1 17 ARG HA H 0.185 4.043 8.388 1.00 . A B . 17 ARG HA 1 1 10 7697 1 1 17 ARG HB2 H -0.658 1.750 9.387 1.00 . A B . 17 ARG HB2 1 1 10 7698 1 1 17 ARG HB3 H 0.565 1.101 8.362 1.00 . A B . 17 ARG HB3 1 1 10 7699 1 1 17 ARG HD2 H 0.019 3.187 11.316 1.00 . A B . 17 ARG HD2 1 1 10 7700 1 1 17 ARG HD3 H 1.706 3.316 11.786 1.00 . A B . 17 ARG HD3 1 1 10 7701 1 1 17 ARG HE H 1.986 4.953 10.041 1.00 . A B . 17 ARG HE 1 1 10 7702 1 1 17 ARG HG2 H 1.527 1.314 10.548 1.00 . A B . 17 ARG HG2 1 1 10 7703 1 1 17 ARG HG3 H 2.299 2.472 9.471 1.00 . A B . 17 ARG HG3 1 1 10 7704 1 1 17 ARG HH11 H -1.383 4.306 11.002 1.00 . A B . 17 ARG HH11 1 1 10 7705 1 1 17 ARG HH12 H -1.925 5.852 10.532 1.00 . A B . 17 ARG HH12 1 1 10 7706 1 1 17 ARG HH21 H 1.165 7.101 9.469 1.00 . A B . 17 ARG HH21 1 1 10 7707 1 1 17 ARG HH22 H -0.501 7.432 9.671 1.00 . A B . 17 ARG HH22 1 1 10 7708 1 1 17 ARG N N -1.261 2.949 7.347 1.00 . A B . 17 ARG N 1 1 10 7709 1 1 17 ARG NE N 1.084 4.698 10.344 1.00 . A B . 17 ARG NE 1 1 10 7710 1 1 17 ARG NH1 N -1.161 5.208 10.621 1.00 . A B . 17 ARG NH1 1 1 10 7711 1 1 17 ARG NH2 N 0.259 6.780 9.760 1.00 . A B . 17 ARG NH2 1 1 10 7712 1 1 17 ARG O O 1.968 3.778 6.576 1.00 . A B . 17 ARG O 1 1 10 7713 1 1 18 ALA C C 1.713 2.542 3.860 1.00 . A B . 18 ALA C 1 1 10 7714 1 1 18 ALA CA C 1.783 1.471 4.947 1.00 . A B . 18 ALA CA 1 1 10 7715 1 1 18 ALA CB C 1.362 0.125 4.381 1.00 . A B . 18 ALA CB 1 1 10 7716 1 1 18 ALA H H 0.205 1.244 6.385 1.00 . A B . 18 ALA H 1 1 10 7717 1 1 18 ALA HA H 2.802 1.392 5.298 1.00 . A B . 18 ALA HA 1 1 10 7718 1 1 18 ALA HB1 H 0.335 0.186 4.050 1.00 . A B . 18 ALA HB1 1 1 10 7719 1 1 18 ALA HB2 H 1.452 -0.640 5.137 1.00 . A B . 18 ALA HB2 1 1 10 7720 1 1 18 ALA HB3 H 1.989 -0.125 3.539 1.00 . A B . 18 ALA HB3 1 1 10 7721 1 1 18 ALA N N 0.938 1.826 6.085 1.00 . A B . 18 ALA N 1 1 10 7722 1 1 18 ALA O O 2.736 2.949 3.318 1.00 . A B . 18 ALA O 1 1 10 7723 1 1 19 GLN C C 0.948 5.317 2.896 1.00 . A B . 19 GLN C 1 1 10 7724 1 1 19 GLN CA C 0.236 4.020 2.579 1.00 . A B . 19 GLN CA 1 1 10 7725 1 1 19 GLN CB C -1.255 4.256 2.487 1.00 . A B . 19 GLN CB 1 1 10 7726 1 1 19 GLN CD C -3.445 3.345 1.595 1.00 . A B . 19 GLN CD 1 1 10 7727 1 1 19 GLN CG C -1.944 3.270 1.583 1.00 . A B . 19 GLN CG 1 1 10 7728 1 1 19 GLN H H -0.270 2.579 4.018 1.00 . A B . 19 GLN H 1 1 10 7729 1 1 19 GLN HA H 0.571 3.640 1.622 1.00 . A B . 19 GLN HA 1 1 10 7730 1 1 19 GLN HB2 H -1.649 4.129 3.486 1.00 . A B . 19 GLN HB2 1 1 10 7731 1 1 19 GLN HB3 H -1.447 5.269 2.174 1.00 . A B . 19 GLN HB3 1 1 10 7732 1 1 19 GLN HE21 H -3.482 2.707 -0.268 1.00 . A B . 19 GLN HE21 1 1 10 7733 1 1 19 GLN HE22 H -5.014 3.035 0.467 1.00 . A B . 19 GLN HE22 1 1 10 7734 1 1 19 GLN HG2 H -1.623 3.484 0.576 1.00 . A B . 19 GLN HG2 1 1 10 7735 1 1 19 GLN HG3 H -1.633 2.275 1.867 1.00 . A B . 19 GLN HG3 1 1 10 7736 1 1 19 GLN N N 0.506 2.980 3.562 1.00 . A B . 19 GLN N 1 1 10 7737 1 1 19 GLN NE2 N -4.039 2.993 0.484 1.00 . A B . 19 GLN NE2 1 1 10 7738 1 1 19 GLN O O 1.625 5.876 2.051 1.00 . A B . 19 GLN O 1 1 10 7739 1 1 19 GLN OE1 O -4.067 3.698 2.588 1.00 . A B . 19 GLN OE1 1 1 10 7740 1 1 20 ILE C C 2.958 6.914 4.425 1.00 . A B . 20 ILE C 1 1 10 7741 1 1 20 ILE CA C 1.433 7.021 4.547 1.00 . A B . 20 ILE CA 1 1 10 7742 1 1 20 ILE CB C 1.036 7.396 6.007 1.00 . A B . 20 ILE CB 1 1 10 7743 1 1 20 ILE CD1 C -1.041 8.683 5.196 1.00 . A B . 20 ILE CD1 1 1 10 7744 1 1 20 ILE CG1 C -0.483 7.615 6.122 1.00 . A B . 20 ILE CG1 1 1 10 7745 1 1 20 ILE CG2 C 1.795 8.629 6.490 1.00 . A B . 20 ILE CG2 1 1 10 7746 1 1 20 ILE H H 0.167 5.299 4.691 1.00 . A B . 20 ILE H 1 1 10 7747 1 1 20 ILE HA H 1.109 7.811 3.886 1.00 . A B . 20 ILE HA 1 1 10 7748 1 1 20 ILE HB H 1.313 6.569 6.644 1.00 . A B . 20 ILE HB 1 1 10 7749 1 1 20 ILE HD11 H -2.102 8.774 5.364 1.00 . A B . 20 ILE HD11 1 1 10 7750 1 1 20 ILE HD12 H -0.862 8.407 4.168 1.00 . A B . 20 ILE HD12 1 1 10 7751 1 1 20 ILE HD13 H -0.559 9.627 5.404 1.00 . A B . 20 ILE HD13 1 1 10 7752 1 1 20 ILE HG12 H -0.990 6.690 5.888 1.00 . A B . 20 ILE HG12 1 1 10 7753 1 1 20 ILE HG13 H -0.721 7.896 7.137 1.00 . A B . 20 ILE HG13 1 1 10 7754 1 1 20 ILE HG21 H 2.856 8.435 6.458 1.00 . A B . 20 ILE HG21 1 1 10 7755 1 1 20 ILE HG22 H 1.500 8.860 7.503 1.00 . A B . 20 ILE HG22 1 1 10 7756 1 1 20 ILE HG23 H 1.561 9.464 5.847 1.00 . A B . 20 ILE HG23 1 1 10 7757 1 1 20 ILE N N 0.783 5.790 4.101 1.00 . A B . 20 ILE N 1 1 10 7758 1 1 20 ILE O O 3.609 7.807 3.861 1.00 . A B . 20 ILE O 1 1 10 7759 1 1 21 ALA C C 5.440 5.519 3.405 1.00 . A B . 21 ALA C 1 1 10 7760 1 1 21 ALA CA C 4.949 5.585 4.844 1.00 . A B . 21 ALA CA 1 1 10 7761 1 1 21 ALA CB C 5.318 4.309 5.578 1.00 . A B . 21 ALA CB 1 1 10 7762 1 1 21 ALA H H 2.917 5.110 5.260 1.00 . A B . 21 ALA H 1 1 10 7763 1 1 21 ALA HA H 5.427 6.418 5.339 1.00 . A B . 21 ALA HA 1 1 10 7764 1 1 21 ALA HB1 H 6.390 4.177 5.554 1.00 . A B . 21 ALA HB1 1 1 10 7765 1 1 21 ALA HB2 H 4.839 3.467 5.102 1.00 . A B . 21 ALA HB2 1 1 10 7766 1 1 21 ALA HB3 H 4.991 4.379 6.604 1.00 . A B . 21 ALA HB3 1 1 10 7767 1 1 21 ALA N N 3.506 5.803 4.888 1.00 . A B . 21 ALA N 1 1 10 7768 1 1 21 ALA O O 6.443 6.132 3.046 1.00 . A B . 21 ALA O 1 1 10 7769 1 1 22 ILE C C 4.882 5.953 0.423 1.00 . A B . 22 ILE C 1 1 10 7770 1 1 22 ILE CA C 5.040 4.629 1.189 1.00 . A B . 22 ILE CA 1 1 10 7771 1 1 22 ILE CB C 4.141 3.510 0.554 1.00 . A B . 22 ILE CB 1 1 10 7772 1 1 22 ILE CD1 C 5.752 3.261 -1.432 1.00 . A B . 22 ILE CD1 1 1 10 7773 1 1 22 ILE CG1 C 4.930 2.601 -0.362 1.00 . A B . 22 ILE CG1 1 1 10 7774 1 1 22 ILE CG2 C 2.899 4.034 -0.158 1.00 . A B . 22 ILE CG2 1 1 10 7775 1 1 22 ILE H H 3.886 4.381 2.931 1.00 . A B . 22 ILE H 1 1 10 7776 1 1 22 ILE HA H 6.072 4.311 1.132 1.00 . A B . 22 ILE HA 1 1 10 7777 1 1 22 ILE HB H 3.782 2.911 1.379 1.00 . A B . 22 ILE HB 1 1 10 7778 1 1 22 ILE HD11 H 5.151 3.964 -1.989 1.00 . A B . 22 ILE HD11 1 1 10 7779 1 1 22 ILE HD12 H 6.163 2.509 -2.087 1.00 . A B . 22 ILE HD12 1 1 10 7780 1 1 22 ILE HD13 H 6.561 3.781 -0.942 1.00 . A B . 22 ILE HD13 1 1 10 7781 1 1 22 ILE HG12 H 5.609 2.030 0.251 1.00 . A B . 22 ILE HG12 1 1 10 7782 1 1 22 ILE HG13 H 4.201 1.963 -0.838 1.00 . A B . 22 ILE HG13 1 1 10 7783 1 1 22 ILE HG21 H 3.213 4.713 -0.936 1.00 . A B . 22 ILE HG21 1 1 10 7784 1 1 22 ILE HG22 H 2.273 4.561 0.548 1.00 . A B . 22 ILE HG22 1 1 10 7785 1 1 22 ILE HG23 H 2.351 3.212 -0.593 1.00 . A B . 22 ILE HG23 1 1 10 7786 1 1 22 ILE N N 4.696 4.818 2.580 1.00 . A B . 22 ILE N 1 1 10 7787 1 1 22 ILE O O 5.565 6.216 -0.552 1.00 . A B . 22 ILE O 1 1 10 7788 1 1 23 CYS C C 4.861 9.028 0.606 1.00 . A B . 23 CYS C 1 1 10 7789 1 1 23 CYS CA C 3.766 8.032 0.229 1.00 . A B . 23 CYS CA 1 1 10 7790 1 1 23 CYS CB C 2.380 8.558 0.583 1.00 . A B . 23 CYS CB 1 1 10 7791 1 1 23 CYS H H 3.488 6.507 1.674 1.00 . A B . 23 CYS H 1 1 10 7792 1 1 23 CYS HA H 3.817 7.851 -0.835 1.00 . A B . 23 CYS HA 1 1 10 7793 1 1 23 CYS HB2 H 1.710 7.722 0.726 1.00 . A B . 23 CYS HB2 1 1 10 7794 1 1 23 CYS HB3 H 2.442 9.124 1.501 1.00 . A B . 23 CYS HB3 1 1 10 7795 1 1 23 CYS N N 4.008 6.781 0.886 1.00 . A B . 23 CYS N 1 1 10 7796 1 1 23 CYS O O 5.102 10.012 -0.096 1.00 . A B . 23 CYS O 1 1 10 7797 1 1 23 CYS SG S 1.661 9.635 -0.690 1.00 . A B . 23 CYS SG 1 1 10 7798 1 1 24 GLY C C 7.967 9.059 1.638 1.00 . A B . 24 GLY C 1 1 10 7799 1 1 24 GLY CA C 6.631 9.578 2.141 1.00 . A B . 24 GLY CA 1 1 10 7800 1 1 24 GLY H H 5.271 7.980 2.256 1.00 . A B . 24 GLY H 1 1 10 7801 1 1 24 GLY HA2 H 6.479 10.583 1.778 1.00 . A B . 24 GLY HA2 1 1 10 7802 1 1 24 GLY HA3 H 6.646 9.582 3.219 1.00 . A B . 24 GLY HA3 1 1 10 7803 1 1 24 GLY N N 5.537 8.751 1.709 1.00 . A B . 24 GLY N 1 1 10 7804 1 1 24 GLY O O 8.959 9.787 1.633 1.00 . A B . 24 GLY O 1 1 10 7805 1 1 25 MET C C 8.665 6.149 -0.358 1.00 . A B . 25 MET C 1 1 10 7806 1 1 25 MET CA C 9.142 7.115 0.688 1.00 . A B . 25 MET CA 1 1 10 7807 1 1 25 MET CB C 9.897 6.327 1.793 1.00 . A B . 25 MET CB 1 1 10 7808 1 1 25 MET CE C 12.061 8.754 0.980 1.00 . A B . 25 MET CE 1 1 10 7809 1 1 25 MET CG C 10.633 7.151 2.853 1.00 . A B . 25 MET CG 1 1 10 7810 1 1 25 MET H H 7.133 7.312 1.179 1.00 . A B . 25 MET H 1 1 10 7811 1 1 25 MET HA H 9.798 7.843 0.237 1.00 . A B . 25 MET HA 1 1 10 7812 1 1 25 MET HB2 H 9.182 5.704 2.309 1.00 . A B . 25 MET HB2 1 1 10 7813 1 1 25 MET HB3 H 10.615 5.681 1.310 1.00 . A B . 25 MET HB3 1 1 10 7814 1 1 25 MET HE1 H 13.001 9.221 0.723 1.00 . A B . 25 MET HE1 1 1 10 7815 1 1 25 MET HE2 H 11.344 9.523 1.227 1.00 . A B . 25 MET HE2 1 1 10 7816 1 1 25 MET HE3 H 11.723 8.173 0.136 1.00 . A B . 25 MET HE3 1 1 10 7817 1 1 25 MET HG2 H 10.051 8.040 3.045 1.00 . A B . 25 MET HG2 1 1 10 7818 1 1 25 MET HG3 H 10.690 6.568 3.761 1.00 . A B . 25 MET HG3 1 1 10 7819 1 1 25 MET N N 7.973 7.815 1.198 1.00 . A B . 25 MET N 1 1 10 7820 1 1 25 MET O O 8.404 4.988 -0.075 1.00 . A B . 25 MET O 1 1 10 7821 1 1 25 MET SD S 12.320 7.687 2.397 1.00 . A B . 25 MET SD 1 1 10 7822 1 1 26 SER C C 9.035 5.044 -3.293 1.00 . A B . 26 SER C 1 1 10 7823 1 1 26 SER CA C 7.939 5.827 -2.617 1.00 . A B . 26 SER CA 1 1 10 7824 1 1 26 SER CB C 7.121 6.652 -3.599 1.00 . A B . 26 SER CB 1 1 10 7825 1 1 26 SER H H 8.593 7.613 -1.658 1.00 . A B . 26 SER H 1 1 10 7826 1 1 26 SER HA H 7.306 5.100 -2.155 1.00 . A B . 26 SER HA 1 1 10 7827 1 1 26 SER HB2 H 7.766 7.352 -4.108 1.00 . A B . 26 SER HB2 1 1 10 7828 1 1 26 SER HB3 H 6.657 5.994 -4.320 1.00 . A B . 26 SER HB3 1 1 10 7829 1 1 26 SER HG H 5.975 6.899 -2.059 1.00 . A B . 26 SER HG 1 1 10 7830 1 1 26 SER N N 8.443 6.652 -1.536 1.00 . A B . 26 SER N 1 1 10 7831 1 1 26 SER O O 8.793 4.061 -3.986 1.00 . A B . 26 SER O 1 1 10 7832 1 1 26 SER OG O 6.092 7.370 -2.902 1.00 . A B . 26 SER OG 1 1 10 7833 1 1 27 THR C C 12.489 5.459 -2.653 1.00 . A B . 27 THR C 1 1 10 7834 1 1 27 THR CA C 11.397 4.888 -3.559 1.00 . A B . 27 THR CA 1 1 10 7835 1 1 27 THR CB C 11.670 5.282 -5.065 1.00 . A B . 27 THR CB 1 1 10 7836 1 1 27 THR CG2 C 12.700 4.355 -5.705 1.00 . A B . 27 THR CG2 1 1 10 7837 1 1 27 THR H H 10.302 6.225 -2.456 1.00 . A B . 27 THR H 1 1 10 7838 1 1 27 THR HA H 11.344 3.814 -3.444 1.00 . A B . 27 THR HA 1 1 10 7839 1 1 27 THR HB H 12.059 6.288 -5.070 1.00 . A B . 27 THR HB 1 1 10 7840 1 1 27 THR HG1 H 9.828 4.675 -5.314 1.00 . A B . 27 THR HG1 1 1 10 7841 1 1 27 THR HG21 H 12.395 3.331 -5.555 1.00 . A B . 27 THR HG21 1 1 10 7842 1 1 27 THR HG22 H 13.673 4.506 -5.263 1.00 . A B . 27 THR HG22 1 1 10 7843 1 1 27 THR HG23 H 12.755 4.557 -6.764 1.00 . A B . 27 THR HG23 1 1 10 7844 1 1 27 THR N N 10.205 5.467 -3.064 1.00 . A B . 27 THR N 1 1 10 7845 1 1 27 THR O O 12.196 6.316 -1.801 1.00 . A B . 27 THR O 1 1 10 7846 1 1 27 THR OG1 O 10.468 5.166 -5.850 1.00 . A B . 27 THR OG1 1 1 10 7847 1 1 28 TRP C C 15.273 6.770 -2.650 1.00 . A B . 28 TRP C 1 1 10 7848 1 1 28 TRP CA C 14.805 5.467 -2.034 1.00 . A B . 28 TRP CA 1 1 10 7849 1 1 28 TRP CB C 15.962 4.451 -2.059 1.00 . A B . 28 TRP CB 1 1 10 7850 1 1 28 TRP CD1 C 15.473 1.928 -2.216 1.00 . A B . 28 TRP CD1 1 1 10 7851 1 1 28 TRP CD2 C 15.414 2.744 -0.132 1.00 . A B . 28 TRP CD2 1 1 10 7852 1 1 28 TRP CE2 C 15.152 1.360 -0.083 1.00 . A B . 28 TRP CE2 1 1 10 7853 1 1 28 TRP CE3 C 15.419 3.466 1.061 1.00 . A B . 28 TRP CE3 1 1 10 7854 1 1 28 TRP CG C 15.632 3.088 -1.507 1.00 . A B . 28 TRP CG 1 1 10 7855 1 1 28 TRP CH2 C 14.910 1.425 2.253 1.00 . A B . 28 TRP CH2 1 1 10 7856 1 1 28 TRP CZ2 C 14.899 0.692 1.106 1.00 . A B . 28 TRP CZ2 1 1 10 7857 1 1 28 TRP CZ3 C 15.166 2.798 2.240 1.00 . A B . 28 TRP CZ3 1 1 10 7858 1 1 28 TRP H H 13.782 4.309 -3.489 1.00 . A B . 28 TRP H 1 1 10 7859 1 1 28 TRP HA H 14.490 5.634 -1.014 1.00 . A B . 28 TRP HA 1 1 10 7860 1 1 28 TRP HB2 H 16.281 4.314 -3.081 1.00 . A B . 28 TRP HB2 1 1 10 7861 1 1 28 TRP HB3 H 16.786 4.852 -1.489 1.00 . A B . 28 TRP HB3 1 1 10 7862 1 1 28 TRP HD1 H 15.545 1.839 -3.289 1.00 . A B . 28 TRP HD1 1 1 10 7863 1 1 28 TRP HE1 H 15.060 -0.048 -1.622 1.00 . A B . 28 TRP HE1 1 1 10 7864 1 1 28 TRP HE3 H 15.615 4.529 1.070 1.00 . A B . 28 TRP HE3 1 1 10 7865 1 1 28 TRP HH2 H 14.716 0.948 3.201 1.00 . A B . 28 TRP HH2 1 1 10 7866 1 1 28 TRP HZ2 H 14.700 -0.370 1.135 1.00 . A B . 28 TRP HZ2 1 1 10 7867 1 1 28 TRP HZ3 H 15.162 3.338 3.175 1.00 . A B . 28 TRP HZ3 1 1 10 7868 1 1 28 TRP N N 13.677 4.988 -2.799 1.00 . A B . 28 TRP N 1 1 10 7869 1 1 28 TRP NE1 N 15.199 0.888 -1.363 1.00 . A B . 28 TRP NE1 1 1 10 7870 1 1 28 TRP O O 15.497 6.832 -3.860 1.00 . A B . 28 TRP O 1 1 10 7871 1 1 29 SER C C 17.337 9.234 -2.207 1.00 . A B . 29 SER C 1 1 10 7872 1 1 29 SER CA C 15.818 9.076 -2.365 1.00 . A B . 29 SER CA 1 1 10 7873 1 1 29 SER CB C 15.078 10.190 -1.637 1.00 . A B . 29 SER CB 1 1 10 7874 1 1 29 SER H H 15.209 7.715 -0.898 1.00 . A B . 29 SER H 1 1 10 7875 1 1 29 SER HA H 15.567 9.112 -3.414 1.00 . A B . 29 SER HA 1 1 10 7876 1 1 29 SER HB2 H 15.390 10.217 -0.604 1.00 . A B . 29 SER HB2 1 1 10 7877 1 1 29 SER HB3 H 15.306 11.136 -2.106 1.00 . A B . 29 SER HB3 1 1 10 7878 1 1 29 SER HG H 13.473 9.388 -2.413 1.00 . A B . 29 SER HG 1 1 10 7879 1 1 29 SER N N 15.394 7.798 -1.859 1.00 . A B . 29 SER N 1 1 10 7880 1 1 29 SER O O 17.832 9.616 -1.137 1.00 . A B . 29 SER O 1 1 10 7881 1 1 29 SER OG O 13.665 9.988 -1.681 1.00 . A B . 29 SER OG 1 1 10 7882 1 1 30 NH2 HN1 H 17.613 8.608 -4.053 1.00 . A B . 30 NH2 HN1 1 1 10 7883 1 1 30 NH2 HN2 H 19.045 8.950 -3.152 1.00 . A B . 30 NH2 HN2 1 1 10 7884 1 1 30 NH2 N N 18.072 8.900 -3.237 1.00 . A B . 30 NH2 N 1 1 10 7885 2 2 1 PCA C C -12.695 4.130 -4.509 1.00 . B A . 1 PCA C 1 1 10 7886 2 2 1 PCA CA C -13.806 5.157 -4.278 1.00 . B A . 1 PCA CA 1 1 10 7887 2 2 1 PCA CB C -13.595 5.857 -2.942 1.00 . B A . 1 PCA CB 1 1 10 7888 2 2 1 PCA CD C -15.533 4.474 -2.928 1.00 . B A . 1 PCA CD 1 1 10 7889 2 2 1 PCA CG C -14.784 5.483 -2.078 1.00 . B A . 1 PCA CG 1 1 10 7890 2 2 1 PCA HA H -13.790 5.868 -5.092 1.00 . B A . 1 PCA HA 1 1 10 7891 2 2 1 PCA HB2 H -12.672 5.508 -2.479 1.00 . B A . 1 PCA HB2 1 1 10 7892 2 2 1 PCA HB3 H -13.557 6.936 -3.085 1.00 . B A . 1 PCA HB3 1 1 10 7893 2 2 1 PCA HG2 H -14.449 5.041 -1.139 1.00 . B A . 1 PCA HG2 1 1 10 7894 2 2 1 PCA HG3 H -15.427 6.344 -1.900 1.00 . B A . 1 PCA HG3 1 1 10 7895 2 2 1 PCA N N -15.121 4.498 -4.192 1.00 . B A . 1 PCA N 1 1 10 7896 2 2 1 PCA O O -12.707 3.040 -3.917 1.00 . B A . 1 PCA O 1 1 10 7897 2 2 1 PCA OE O -16.397 3.722 -2.483 1.00 . B A . 1 PCA OE 1 1 10 7898 2 2 2 LEU C C -9.702 3.328 -4.558 1.00 . B A . 2 LEU C 1 1 10 7899 2 2 2 LEU CA C -10.653 3.538 -5.676 1.00 . B A . 2 LEU CA 1 1 10 7900 2 2 2 LEU CB C -9.970 3.848 -6.996 1.00 . B A . 2 LEU CB 1 1 10 7901 2 2 2 LEU CD1 C -10.082 4.254 -9.457 1.00 . B A . 2 LEU CD1 1 1 10 7902 2 2 2 LEU CD2 C -11.376 2.373 -8.446 1.00 . B A . 2 LEU CD2 1 1 10 7903 2 2 2 LEU CG C -10.855 3.788 -8.238 1.00 . B A . 2 LEU CG 1 1 10 7904 2 2 2 LEU H H -11.733 5.356 -5.765 1.00 . B A . 2 LEU H 1 1 10 7905 2 2 2 LEU HA H -11.084 2.558 -5.711 1.00 . B A . 2 LEU HA 1 1 10 7906 2 2 2 LEU HB2 H -9.536 4.835 -6.934 1.00 . B A . 2 LEU HB2 1 1 10 7907 2 2 2 LEU HB3 H -9.174 3.131 -7.127 1.00 . B A . 2 LEU HB3 1 1 10 7908 2 2 2 LEU HD11 H -9.213 3.628 -9.596 1.00 . B A . 2 LEU HD11 1 1 10 7909 2 2 2 LEU HD12 H -9.773 5.279 -9.316 1.00 . B A . 2 LEU HD12 1 1 10 7910 2 2 2 LEU HD13 H -10.717 4.189 -10.328 1.00 . B A . 2 LEU HD13 1 1 10 7911 2 2 2 LEU HD21 H -11.962 2.331 -9.351 1.00 . B A . 2 LEU HD21 1 1 10 7912 2 2 2 LEU HD22 H -11.986 2.083 -7.605 1.00 . B A . 2 LEU HD22 1 1 10 7913 2 2 2 LEU HD23 H -10.539 1.695 -8.528 1.00 . B A . 2 LEU HD23 1 1 10 7914 2 2 2 LEU HG H -11.700 4.446 -8.105 1.00 . B A . 2 LEU HG 1 1 10 7915 2 2 2 LEU N N -11.730 4.468 -5.343 1.00 . B A . 2 LEU N 1 1 10 7916 2 2 2 LEU O O -9.013 2.312 -4.513 1.00 . B A . 2 LEU O 1 1 10 7917 2 2 3 TYR C C -9.489 2.831 -1.713 1.00 . B A . 3 TYR C 1 1 10 7918 2 2 3 TYR CA C -8.932 4.066 -2.466 1.00 . B A . 3 TYR CA 1 1 10 7919 2 2 3 TYR CB C -9.021 5.318 -1.609 1.00 . B A . 3 TYR CB 1 1 10 7920 2 2 3 TYR CD1 C -7.342 4.819 0.144 1.00 . B A . 3 TYR CD1 1 1 10 7921 2 2 3 TYR CD2 C -9.621 4.969 0.760 1.00 . B A . 3 TYR CD2 1 1 10 7922 2 2 3 TYR CE1 C -7.012 4.517 1.425 1.00 . B A . 3 TYR CE1 1 1 10 7923 2 2 3 TYR CE2 C -9.314 4.664 2.035 1.00 . B A . 3 TYR CE2 1 1 10 7924 2 2 3 TYR CG C -8.647 5.055 -0.205 1.00 . B A . 3 TYR CG 1 1 10 7925 2 2 3 TYR CZ C -7.999 4.436 2.383 1.00 . B A . 3 TYR CZ 1 1 10 7926 2 2 3 TYR H H -10.133 5.099 -3.828 1.00 . B A . 3 TYR H 1 1 10 7927 2 2 3 TYR HA H -7.900 3.883 -2.726 1.00 . B A . 3 TYR HA 1 1 10 7928 2 2 3 TYR HB2 H -8.348 6.066 -2.000 1.00 . B A . 3 TYR HB2 1 1 10 7929 2 2 3 TYR HB3 H -10.033 5.694 -1.627 1.00 . B A . 3 TYR HB3 1 1 10 7930 2 2 3 TYR HD1 H -6.573 4.883 -0.611 1.00 . B A . 3 TYR HD1 1 1 10 7931 2 2 3 TYR HD2 H -10.649 5.155 0.486 1.00 . B A . 3 TYR HD2 1 1 10 7932 2 2 3 TYR HE1 H -5.975 4.337 1.648 1.00 . B A . 3 TYR HE1 1 1 10 7933 2 2 3 TYR HE2 H -10.138 4.600 2.724 1.00 . B A . 3 TYR HE2 1 1 10 7934 2 2 3 TYR HH H -6.794 4.512 3.839 1.00 . B A . 3 TYR HH 1 1 10 7935 2 2 3 TYR N N -9.662 4.253 -3.664 1.00 . B A . 3 TYR N 1 1 10 7936 2 2 3 TYR O O -8.738 1.941 -1.303 1.00 . B A . 3 TYR O 1 1 10 7937 2 2 3 TYR OH O -7.668 4.126 3.689 1.00 . B A . 3 TYR OH 1 1 10 7938 2 2 4 SER C C -11.357 0.398 -1.736 1.00 . B A . 4 SER C 1 1 10 7939 2 2 4 SER CA C -11.470 1.695 -0.913 1.00 . B A . 4 SER CA 1 1 10 7940 2 2 4 SER CB C -12.917 2.091 -0.696 1.00 . B A . 4 SER CB 1 1 10 7941 2 2 4 SER H H -11.361 3.503 -1.931 1.00 . B A . 4 SER H 1 1 10 7942 2 2 4 SER HA H -10.998 1.549 0.047 1.00 . B A . 4 SER HA 1 1 10 7943 2 2 4 SER HB2 H -13.416 2.174 -1.650 1.00 . B A . 4 SER HB2 1 1 10 7944 2 2 4 SER HB3 H -13.405 1.346 -0.088 1.00 . B A . 4 SER HB3 1 1 10 7945 2 2 4 SER HG H -13.385 3.192 0.837 1.00 . B A . 4 SER HG 1 1 10 7946 2 2 4 SER N N -10.800 2.780 -1.582 1.00 . B A . 4 SER N 1 1 10 7947 2 2 4 SER O O -11.263 -0.712 -1.174 1.00 . B A . 4 SER O 1 1 10 7948 2 2 4 SER OG O -12.983 3.347 -0.026 1.00 . B A . 4 SER OG 1 1 10 7949 2 2 5 ALA C C -9.791 -1.204 -3.763 1.00 . B A . 5 ALA C 1 1 10 7950 2 2 5 ALA CA C -11.162 -0.572 -3.971 1.00 . B A . 5 ALA CA 1 1 10 7951 2 2 5 ALA CB C -11.314 -0.116 -5.411 1.00 . B A . 5 ALA CB 1 1 10 7952 2 2 5 ALA H H -11.490 1.448 -3.427 1.00 . B A . 5 ALA H 1 1 10 7953 2 2 5 ALA HA H -11.925 -1.305 -3.755 1.00 . B A . 5 ALA HA 1 1 10 7954 2 2 5 ALA HB1 H -11.241 -0.967 -6.072 1.00 . B A . 5 ALA HB1 1 1 10 7955 2 2 5 ALA HB2 H -10.521 0.578 -5.645 1.00 . B A . 5 ALA HB2 1 1 10 7956 2 2 5 ALA HB3 H -12.271 0.365 -5.539 1.00 . B A . 5 ALA HB3 1 1 10 7957 2 2 5 ALA N N -11.343 0.549 -3.059 1.00 . B A . 5 ALA N 1 1 10 7958 2 2 5 ALA O O -9.658 -2.438 -3.728 1.00 . B A . 5 ALA O 1 1 10 7959 2 2 6 LEU C C -7.373 -1.495 -1.999 1.00 . B A . 6 LEU C 1 1 10 7960 2 2 6 LEU CA C -7.421 -0.794 -3.343 1.00 . B A . 6 LEU CA 1 1 10 7961 2 2 6 LEU CB C -6.455 0.398 -3.305 1.00 . B A . 6 LEU CB 1 1 10 7962 2 2 6 LEU CD1 C -4.340 -0.668 -4.149 1.00 . B A . 6 LEU CD1 1 1 10 7963 2 2 6 LEU CD2 C -4.206 1.275 -2.576 1.00 . B A . 6 LEU CD2 1 1 10 7964 2 2 6 LEU CG C -4.996 0.050 -2.989 1.00 . B A . 6 LEU CG 1 1 10 7965 2 2 6 LEU H H -8.947 0.611 -3.719 1.00 . B A . 6 LEU H 1 1 10 7966 2 2 6 LEU HA H -7.116 -1.477 -4.121 1.00 . B A . 6 LEU HA 1 1 10 7967 2 2 6 LEU HB2 H -6.488 0.892 -4.265 1.00 . B A . 6 LEU HB2 1 1 10 7968 2 2 6 LEU HB3 H -6.806 1.089 -2.553 1.00 . B A . 6 LEU HB3 1 1 10 7969 2 2 6 LEU HD11 H -3.318 -0.901 -3.893 1.00 . B A . 6 LEU HD11 1 1 10 7970 2 2 6 LEU HD12 H -4.355 -0.029 -5.020 1.00 . B A . 6 LEU HD12 1 1 10 7971 2 2 6 LEU HD13 H -4.876 -1.581 -4.360 1.00 . B A . 6 LEU HD13 1 1 10 7972 2 2 6 LEU HD21 H -4.174 1.978 -3.395 1.00 . B A . 6 LEU HD21 1 1 10 7973 2 2 6 LEU HD22 H -3.199 0.979 -2.320 1.00 . B A . 6 LEU HD22 1 1 10 7974 2 2 6 LEU HD23 H -4.672 1.738 -1.719 1.00 . B A . 6 LEU HD23 1 1 10 7975 2 2 6 LEU HG H -4.997 -0.645 -2.160 1.00 . B A . 6 LEU HG 1 1 10 7976 2 2 6 LEU N N -8.781 -0.353 -3.616 1.00 . B A . 6 LEU N 1 1 10 7977 2 2 6 LEU O O -6.784 -2.564 -1.869 1.00 . B A . 6 LEU O 1 1 10 7978 2 2 7 ALA C C -8.551 -2.847 0.383 1.00 . B A . 7 ALA C 1 1 10 7979 2 2 7 ALA CA C -8.063 -1.403 0.346 1.00 . B A . 7 ALA CA 1 1 10 7980 2 2 7 ALA CB C -8.918 -0.514 1.231 1.00 . B A . 7 ALA CB 1 1 10 7981 2 2 7 ALA H H -8.482 -0.041 -1.215 1.00 . B A . 7 ALA H 1 1 10 7982 2 2 7 ALA HA H -7.049 -1.378 0.716 1.00 . B A . 7 ALA HA 1 1 10 7983 2 2 7 ALA HB1 H -8.875 -0.870 2.249 1.00 . B A . 7 ALA HB1 1 1 10 7984 2 2 7 ALA HB2 H -9.939 -0.540 0.882 1.00 . B A . 7 ALA HB2 1 1 10 7985 2 2 7 ALA HB3 H -8.550 0.500 1.187 1.00 . B A . 7 ALA HB3 1 1 10 7986 2 2 7 ALA N N -8.025 -0.887 -1.015 1.00 . B A . 7 ALA N 1 1 10 7987 2 2 7 ALA O O -7.908 -3.709 0.982 1.00 . B A . 7 ALA O 1 1 10 7988 2 2 8 ASN C C -9.227 -5.394 -1.100 1.00 . B A . 8 ASN C 1 1 10 7989 2 2 8 ASN CA C -10.181 -4.479 -0.367 1.00 . B A . 8 ASN CA 1 1 10 7990 2 2 8 ASN CB C -11.586 -4.544 -0.999 1.00 . B A . 8 ASN CB 1 1 10 7991 2 2 8 ASN CG C -12.688 -4.147 -0.034 1.00 . B A . 8 ASN CG 1 1 10 7992 2 2 8 ASN H H -10.116 -2.380 -0.756 1.00 . B A . 8 ASN H 1 1 10 7993 2 2 8 ASN HA H -10.246 -4.833 0.651 1.00 . B A . 8 ASN HA 1 1 10 7994 2 2 8 ASN HB2 H -11.621 -3.875 -1.846 1.00 . B A . 8 ASN HB2 1 1 10 7995 2 2 8 ASN HB3 H -11.772 -5.552 -1.338 1.00 . B A . 8 ASN HB3 1 1 10 7996 2 2 8 ASN HD21 H -13.799 -3.434 -1.512 1.00 . B A . 8 ASN HD21 1 1 10 7997 2 2 8 ASN HD22 H -14.467 -3.297 0.069 1.00 . B A . 8 ASN HD22 1 1 10 7998 2 2 8 ASN N N -9.657 -3.116 -0.297 1.00 . B A . 8 ASN N 1 1 10 7999 2 2 8 ASN ND2 N -13.752 -3.579 -0.543 1.00 . B A . 8 ASN ND2 1 1 10 8000 2 2 8 ASN O O -8.976 -6.489 -0.668 1.00 . B A . 8 ASN O 1 1 10 8001 2 2 8 ASN OD1 O -12.582 -4.358 1.167 1.00 . B A . 8 ASN OD1 1 1 10 8002 2 2 9 LYS C C -6.488 -6.107 -2.186 1.00 . B A . 9 LYS C 1 1 10 8003 2 2 9 LYS CA C -7.722 -5.673 -2.998 1.00 . B A . 9 LYS CA 1 1 10 8004 2 2 9 LYS CB C -7.381 -4.821 -4.267 1.00 . B A . 9 LYS CB 1 1 10 8005 2 2 9 LYS CD C -5.003 -5.455 -4.977 1.00 . B A . 9 LYS CD 1 1 10 8006 2 2 9 LYS CE C -4.053 -5.580 -6.183 1.00 . B A . 9 LYS CE 1 1 10 8007 2 2 9 LYS CG C -6.470 -5.411 -5.377 1.00 . B A . 9 LYS CG 1 1 10 8008 2 2 9 LYS H H -8.833 -3.968 -2.406 1.00 . B A . 9 LYS H 1 1 10 8009 2 2 9 LYS HA H -8.220 -6.586 -3.284 1.00 . B A . 9 LYS HA 1 1 10 8010 2 2 9 LYS HB2 H -8.304 -4.523 -4.738 1.00 . B A . 9 LYS HB2 1 1 10 8011 2 2 9 LYS HB3 H -6.913 -3.917 -3.908 1.00 . B A . 9 LYS HB3 1 1 10 8012 2 2 9 LYS HD2 H -4.776 -4.539 -4.452 1.00 . B A . 9 LYS HD2 1 1 10 8013 2 2 9 LYS HD3 H -4.849 -6.294 -4.314 1.00 . B A . 9 LYS HD3 1 1 10 8014 2 2 9 LYS HE2 H -4.171 -4.707 -6.806 1.00 . B A . 9 LYS HE2 1 1 10 8015 2 2 9 LYS HE3 H -3.041 -5.601 -5.805 1.00 . B A . 9 LYS HE3 1 1 10 8016 2 2 9 LYS HG2 H -6.795 -6.417 -5.594 1.00 . B A . 9 LYS HG2 1 1 10 8017 2 2 9 LYS HG3 H -6.578 -4.804 -6.264 1.00 . B A . 9 LYS HG3 1 1 10 8018 2 2 9 LYS HZ1 H -4.281 -7.669 -6.484 1.00 . B A . 9 LYS HZ1 1 1 10 8019 2 2 9 LYS HZ2 H -3.545 -6.843 -7.754 1.00 . B A . 9 LYS HZ2 1 1 10 8020 2 2 9 LYS HZ3 H -5.180 -6.705 -7.531 1.00 . B A . 9 LYS HZ3 1 1 10 8021 2 2 9 LYS N N -8.647 -4.901 -2.162 1.00 . B A . 9 LYS N 1 1 10 8022 2 2 9 LYS NZ N -4.279 -6.778 -7.018 1.00 . B A . 9 LYS NZ 1 1 10 8023 2 2 9 LYS O O -6.132 -7.286 -2.175 1.00 . B A . 9 LYS O 1 1 10 8024 2 2 10 CYS C C -5.057 -6.316 0.544 1.00 . B A . 10 CYS C 1 1 10 8025 2 2 10 CYS CA C -4.698 -5.487 -0.682 1.00 . B A . 10 CYS CA 1 1 10 8026 2 2 10 CYS CB C -4.027 -4.196 -0.247 1.00 . B A . 10 CYS CB 1 1 10 8027 2 2 10 CYS H H -6.226 -4.263 -1.505 1.00 . B A . 10 CYS H 1 1 10 8028 2 2 10 CYS HA H -3.997 -6.074 -1.265 1.00 . B A . 10 CYS HA 1 1 10 8029 2 2 10 CYS HB2 H -4.663 -3.697 0.470 1.00 . B A . 10 CYS HB2 1 1 10 8030 2 2 10 CYS HB3 H -3.081 -4.428 0.219 1.00 . B A . 10 CYS HB3 1 1 10 8031 2 2 10 CYS N N -5.888 -5.189 -1.483 1.00 . B A . 10 CYS N 1 1 10 8032 2 2 10 CYS O O -4.228 -7.056 1.052 1.00 . B A . 10 CYS O 1 1 10 8033 2 2 10 CYS SG S -3.710 -3.031 -1.602 1.00 . B A . 10 CYS SG 1 1 10 8034 2 2 11 CYS C C -7.069 -8.362 1.770 1.00 . B A . 11 CYS C 1 1 10 8035 2 2 11 CYS CA C -6.719 -6.940 2.162 1.00 . B A . 11 CYS CA 1 1 10 8036 2 2 11 CYS CB C -7.925 -6.258 2.823 1.00 . B A . 11 CYS CB 1 1 10 8037 2 2 11 CYS H H -6.902 -5.555 0.592 1.00 . B A . 11 CYS H 1 1 10 8038 2 2 11 CYS HA H -5.904 -6.964 2.870 1.00 . B A . 11 CYS HA 1 1 10 8039 2 2 11 CYS HB2 H -7.675 -5.228 3.022 1.00 . B A . 11 CYS HB2 1 1 10 8040 2 2 11 CYS HB3 H -8.749 -6.278 2.125 1.00 . B A . 11 CYS HB3 1 1 10 8041 2 2 11 CYS N N -6.279 -6.191 1.007 1.00 . B A . 11 CYS N 1 1 10 8042 2 2 11 CYS O O -6.744 -9.312 2.486 1.00 . B A . 11 CYS O 1 1 10 8043 2 2 11 CYS SG S -8.495 -7.032 4.384 1.00 . B A . 11 CYS SG 1 1 10 8044 2 2 12 HIS C C -7.026 -10.657 -0.350 1.00 . B A . 12 HIS C 1 1 10 8045 2 2 12 HIS CA C -8.154 -9.827 0.178 1.00 . B A . 12 HIS CA 1 1 10 8046 2 2 12 HIS CB C -9.243 -9.699 -0.890 1.00 . B A . 12 HIS CB 1 1 10 8047 2 2 12 HIS CD2 C -10.834 -8.560 0.801 1.00 . B A . 12 HIS CD2 1 1 10 8048 2 2 12 HIS CE1 C -12.644 -8.539 -0.365 1.00 . B A . 12 HIS CE1 1 1 10 8049 2 2 12 HIS CG C -10.544 -9.148 -0.382 1.00 . B A . 12 HIS CG 1 1 10 8050 2 2 12 HIS H H -7.873 -7.737 0.036 1.00 . B A . 12 HIS H 1 1 10 8051 2 2 12 HIS HA H -8.582 -10.328 1.033 1.00 . B A . 12 HIS HA 1 1 10 8052 2 2 12 HIS HB2 H -8.879 -9.023 -1.650 1.00 . B A . 12 HIS HB2 1 1 10 8053 2 2 12 HIS HB3 H -9.404 -10.666 -1.336 1.00 . B A . 12 HIS HB3 1 1 10 8054 2 2 12 HIS HD1 H -11.831 -9.466 -2.020 1.00 . B A . 12 HIS HD1 1 1 10 8055 2 2 12 HIS HD2 H -10.127 -8.419 1.605 1.00 . B A . 12 HIS HD2 1 1 10 8056 2 2 12 HIS HE1 H -13.665 -8.388 -0.682 1.00 . B A . 12 HIS HE1 1 1 10 8057 2 2 12 HIS N N -7.697 -8.519 0.616 1.00 . B A . 12 HIS N 1 1 10 8058 2 2 12 HIS ND1 N -11.705 -9.126 -1.106 1.00 . B A . 12 HIS ND1 1 1 10 8059 2 2 12 HIS NE2 N -12.165 -8.171 0.813 1.00 . B A . 12 HIS NE2 1 1 10 8060 2 2 12 HIS O O -6.815 -11.794 0.087 1.00 . B A . 12 HIS O 1 1 10 8061 2 2 13 VAL C C -3.883 -10.150 -1.682 1.00 . B A . 13 VAL C 1 1 10 8062 2 2 13 VAL CA C -5.234 -10.805 -1.924 1.00 . B A . 13 VAL CA 1 1 10 8063 2 2 13 VAL CB C -5.496 -11.000 -3.441 1.00 . B A . 13 VAL CB 1 1 10 8064 2 2 13 VAL CG1 C -6.621 -11.997 -3.646 1.00 . B A . 13 VAL CG1 1 1 10 8065 2 2 13 VAL CG2 C -5.870 -9.689 -4.128 1.00 . B A . 13 VAL CG2 1 1 10 8066 2 2 13 VAL H H -6.529 -9.176 -1.534 1.00 . B A . 13 VAL H 1 1 10 8067 2 2 13 VAL HA H -5.201 -11.784 -1.469 1.00 . B A . 13 VAL HA 1 1 10 8068 2 2 13 VAL HB H -4.569 -11.355 -3.860 1.00 . B A . 13 VAL HB 1 1 10 8069 2 2 13 VAL HG11 H -6.807 -12.130 -4.701 1.00 . B A . 13 VAL HG11 1 1 10 8070 2 2 13 VAL HG12 H -7.509 -11.609 -3.166 1.00 . B A . 13 VAL HG12 1 1 10 8071 2 2 13 VAL HG13 H -6.357 -12.943 -3.195 1.00 . B A . 13 VAL HG13 1 1 10 8072 2 2 13 VAL HG21 H -5.065 -8.977 -4.009 1.00 . B A . 13 VAL HG21 1 1 10 8073 2 2 13 VAL HG22 H -6.768 -9.292 -3.679 1.00 . B A . 13 VAL HG22 1 1 10 8074 2 2 13 VAL HG23 H -6.040 -9.866 -5.179 1.00 . B A . 13 VAL HG23 1 1 10 8075 2 2 13 VAL N N -6.312 -10.099 -1.280 1.00 . B A . 13 VAL N 1 1 10 8076 2 2 13 VAL O O -2.899 -10.823 -1.375 1.00 . B A . 13 VAL O 1 1 10 8077 2 2 14 GLY C C -2.248 -7.318 -2.794 1.00 . B A . 14 GLY C 1 1 10 8078 2 2 14 GLY CA C -2.616 -8.135 -1.607 1.00 . B A . 14 GLY CA 1 1 10 8079 2 2 14 GLY H H -4.641 -8.412 -2.153 1.00 . B A . 14 GLY H 1 1 10 8080 2 2 14 GLY HA2 H -2.699 -7.488 -0.748 1.00 . B A . 14 GLY HA2 1 1 10 8081 2 2 14 GLY HA3 H -1.812 -8.811 -1.397 1.00 . B A . 14 GLY HA3 1 1 10 8082 2 2 14 GLY N N -3.833 -8.868 -1.835 1.00 . B A . 14 GLY N 1 1 10 8083 2 2 14 GLY O O -2.763 -7.547 -3.897 1.00 . B A . 14 GLY O 1 1 10 8084 2 2 15 CYS C C 0.452 -5.098 -3.467 1.00 . B A . 15 CYS C 1 1 10 8085 2 2 15 CYS CA C -0.974 -5.484 -3.647 1.00 . B A . 15 CYS CA 1 1 10 8086 2 2 15 CYS CB C -1.827 -4.231 -3.631 1.00 . B A . 15 CYS CB 1 1 10 8087 2 2 15 CYS H H -0.957 -6.278 -1.714 1.00 . B A . 15 CYS H 1 1 10 8088 2 2 15 CYS HA H -1.105 -5.978 -4.597 1.00 . B A . 15 CYS HA 1 1 10 8089 2 2 15 CYS HB2 H -1.484 -3.565 -4.408 1.00 . B A . 15 CYS HB2 1 1 10 8090 2 2 15 CYS HB3 H -2.849 -4.506 -3.829 1.00 . B A . 15 CYS HB3 1 1 10 8091 2 2 15 CYS N N -1.378 -6.381 -2.598 1.00 . B A . 15 CYS N 1 1 10 8092 2 2 15 CYS O O 1.036 -5.308 -2.384 1.00 . B A . 15 CYS O 1 1 10 8093 2 2 15 CYS SG S -1.773 -3.326 -2.057 1.00 . B A . 15 CYS SG 1 1 10 8094 2 2 16 THR C C 2.388 -2.796 -3.688 1.00 . B A . 16 THR C 1 1 10 8095 2 2 16 THR CA C 2.335 -4.094 -4.457 1.00 . B A . 16 THR CA 1 1 10 8096 2 2 16 THR CB C 2.896 -3.928 -5.872 1.00 . B A . 16 THR CB 1 1 10 8097 2 2 16 THR CG2 C 3.306 -5.274 -6.450 1.00 . B A . 16 THR CG2 1 1 10 8098 2 2 16 THR H H 0.543 -4.432 -5.343 1.00 . B A . 16 THR H 1 1 10 8099 2 2 16 THR HA H 2.929 -4.827 -3.938 1.00 . B A . 16 THR HA 1 1 10 8100 2 2 16 THR HB H 3.756 -3.278 -5.828 1.00 . B A . 16 THR HB 1 1 10 8101 2 2 16 THR HG1 H 2.264 -3.157 -7.584 1.00 . B A . 16 THR HG1 1 1 10 8102 2 2 16 THR HG21 H 3.689 -5.133 -7.449 1.00 . B A . 16 THR HG21 1 1 10 8103 2 2 16 THR HG22 H 2.456 -5.939 -6.478 1.00 . B A . 16 THR HG22 1 1 10 8104 2 2 16 THR HG23 H 4.089 -5.705 -5.840 1.00 . B A . 16 THR HG23 1 1 10 8105 2 2 16 THR N N 1.021 -4.563 -4.498 1.00 . B A . 16 THR N 1 1 10 8106 2 2 16 THR O O 1.412 -2.047 -3.626 1.00 . B A . 16 THR O 1 1 10 8107 2 2 16 THR OG1 O 1.900 -3.309 -6.703 1.00 . B A . 16 THR OG1 1 1 10 8108 2 2 17 LYS C C 3.658 -0.124 -3.233 1.00 . B A . 17 LYS C 1 1 10 8109 2 2 17 LYS CA C 3.716 -1.345 -2.308 1.00 . B A . 17 LYS CA 1 1 10 8110 2 2 17 LYS CB C 5.059 -1.501 -1.598 1.00 . B A . 17 LYS CB 1 1 10 8111 2 2 17 LYS CD C 4.318 -1.091 0.773 1.00 . B A . 17 LYS CD 1 1 10 8112 2 2 17 LYS CE C 4.551 -0.287 2.051 1.00 . B A . 17 LYS CE 1 1 10 8113 2 2 17 LYS CG C 5.278 -0.688 -0.344 1.00 . B A . 17 LYS CG 1 1 10 8114 2 2 17 LYS H H 4.222 -3.192 -3.266 1.00 . B A . 17 LYS H 1 1 10 8115 2 2 17 LYS HA H 2.914 -1.203 -1.595 1.00 . B A . 17 LYS HA 1 1 10 8116 2 2 17 LYS HB2 H 5.128 -2.538 -1.307 1.00 . B A . 17 LYS HB2 1 1 10 8117 2 2 17 LYS HB3 H 5.858 -1.293 -2.294 1.00 . B A . 17 LYS HB3 1 1 10 8118 2 2 17 LYS HD2 H 3.305 -0.923 0.444 1.00 . B A . 17 LYS HD2 1 1 10 8119 2 2 17 LYS HD3 H 4.455 -2.141 0.988 1.00 . B A . 17 LYS HD3 1 1 10 8120 2 2 17 LYS HE2 H 4.430 0.763 1.833 1.00 . B A . 17 LYS HE2 1 1 10 8121 2 2 17 LYS HE3 H 3.808 -0.585 2.775 1.00 . B A . 17 LYS HE3 1 1 10 8122 2 2 17 LYS HG2 H 6.293 -0.838 -0.005 1.00 . B A . 17 LYS HG2 1 1 10 8123 2 2 17 LYS HG3 H 5.129 0.348 -0.592 1.00 . B A . 17 LYS HG3 1 1 10 8124 2 2 17 LYS HZ1 H 6.004 0.063 3.498 1.00 . B A . 17 LYS HZ1 1 1 10 8125 2 2 17 LYS HZ2 H 6.671 -0.238 1.994 1.00 . B A . 17 LYS HZ2 1 1 10 8126 2 2 17 LYS HZ3 H 6.045 -1.490 2.911 1.00 . B A . 17 LYS HZ3 1 1 10 8127 2 2 17 LYS N N 3.504 -2.534 -3.117 1.00 . B A . 17 LYS N 1 1 10 8128 2 2 17 LYS NZ N 5.892 -0.502 2.631 1.00 . B A . 17 LYS NZ 1 1 10 8129 2 2 17 LYS O O 3.204 0.949 -2.840 1.00 . B A . 17 LYS O 1 1 10 8130 2 2 18 ARG C C 2.426 0.918 -5.852 1.00 . B A . 18 ARG C 1 1 10 8131 2 2 18 ARG CA C 3.907 0.642 -5.556 1.00 . B A . 18 ARG CA 1 1 10 8132 2 2 18 ARG CB C 4.600 0.154 -6.829 1.00 . B A . 18 ARG CB 1 1 10 8133 2 2 18 ARG CD C 6.729 -0.390 -8.024 1.00 . B A . 18 ARG CD 1 1 10 8134 2 2 18 ARG CG C 6.109 0.229 -6.786 1.00 . B A . 18 ARG CG 1 1 10 8135 2 2 18 ARG CZ C 8.931 -0.357 -9.182 1.00 . B A . 18 ARG CZ 1 1 10 8136 2 2 18 ARG H H 4.462 -1.210 -4.695 1.00 . B A . 18 ARG H 1 1 10 8137 2 2 18 ARG HA H 4.378 1.557 -5.229 1.00 . B A . 18 ARG HA 1 1 10 8138 2 2 18 ARG HB2 H 4.320 -0.875 -7.003 1.00 . B A . 18 ARG HB2 1 1 10 8139 2 2 18 ARG HB3 H 4.254 0.752 -7.658 1.00 . B A . 18 ARG HB3 1 1 10 8140 2 2 18 ARG HD2 H 6.618 -1.463 -7.966 1.00 . B A . 18 ARG HD2 1 1 10 8141 2 2 18 ARG HD3 H 6.215 -0.026 -8.900 1.00 . B A . 18 ARG HD3 1 1 10 8142 2 2 18 ARG HE H 8.512 0.451 -7.379 1.00 . B A . 18 ARG HE 1 1 10 8143 2 2 18 ARG HG2 H 6.398 1.268 -6.737 1.00 . B A . 18 ARG HG2 1 1 10 8144 2 2 18 ARG HG3 H 6.471 -0.287 -5.909 1.00 . B A . 18 ARG HG3 1 1 10 8145 2 2 18 ARG HH11 H 7.547 -1.525 -10.152 1.00 . B A . 18 ARG HH11 1 1 10 8146 2 2 18 ARG HH12 H 9.031 -1.366 -10.966 1.00 . B A . 18 ARG HH12 1 1 10 8147 2 2 18 ARG HH21 H 10.587 0.660 -8.502 1.00 . B A . 18 ARG HH21 1 1 10 8148 2 2 18 ARG HH22 H 10.757 -0.084 -10.032 1.00 . B A . 18 ARG HH22 1 1 10 8149 2 2 18 ARG N N 4.045 -0.345 -4.488 1.00 . B A . 18 ARG N 1 1 10 8150 2 2 18 ARG NE N 8.158 -0.069 -8.136 1.00 . B A . 18 ARG NE 1 1 10 8151 2 2 18 ARG NH1 N 8.473 -1.133 -10.164 1.00 . B A . 18 ARG NH1 1 1 10 8152 2 2 18 ARG NH2 N 10.178 0.102 -9.232 1.00 . B A . 18 ARG NH2 1 1 10 8153 2 2 18 ARG O O 2.053 2.012 -6.282 1.00 . B A . 18 ARG O 1 1 10 8154 2 2 19 SER C C -0.427 0.978 -4.756 1.00 . B A . 19 SER C 1 1 10 8155 2 2 19 SER CA C 0.183 0.059 -5.810 1.00 . B A . 19 SER CA 1 1 10 8156 2 2 19 SER CB C -0.480 -1.334 -5.826 1.00 . B A . 19 SER CB 1 1 10 8157 2 2 19 SER H H 1.925 -0.883 -5.171 1.00 . B A . 19 SER H 1 1 10 8158 2 2 19 SER HA H 0.056 0.523 -6.777 1.00 . B A . 19 SER HA 1 1 10 8159 2 2 19 SER HB2 H 0.034 -1.925 -6.567 1.00 . B A . 19 SER HB2 1 1 10 8160 2 2 19 SER HB3 H -0.344 -1.814 -4.867 1.00 . B A . 19 SER HB3 1 1 10 8161 2 2 19 SER HG H -2.298 -0.635 -5.584 1.00 . B A . 19 SER HG 1 1 10 8162 2 2 19 SER N N 1.589 -0.056 -5.576 1.00 . B A . 19 SER N 1 1 10 8163 2 2 19 SER O O -1.269 1.797 -5.067 1.00 . B A . 19 SER O 1 1 10 8164 2 2 19 SER OG O -1.866 -1.278 -6.159 1.00 . B A . 19 SER OG 1 1 10 8165 2 2 20 LEU C C 0.158 3.167 -2.719 1.00 . B A . 20 LEU C 1 1 10 8166 2 2 20 LEU CA C -0.477 1.814 -2.488 1.00 . B A . 20 LEU CA 1 1 10 8167 2 2 20 LEU CB C -0.265 1.373 -1.007 1.00 . B A . 20 LEU CB 1 1 10 8168 2 2 20 LEU CD1 C 0.500 -1.018 -0.925 1.00 . B A . 20 LEU CD1 1 1 10 8169 2 2 20 LEU CD2 C -0.957 -0.165 0.862 1.00 . B A . 20 LEU CD2 1 1 10 8170 2 2 20 LEU CG C -0.620 -0.074 -0.607 1.00 . B A . 20 LEU CG 1 1 10 8171 2 2 20 LEU H H 0.650 0.143 -3.311 1.00 . B A . 20 LEU H 1 1 10 8172 2 2 20 LEU HA H -1.521 2.004 -2.673 1.00 . B A . 20 LEU HA 1 1 10 8173 2 2 20 LEU HB2 H 0.729 1.612 -0.666 1.00 . B A . 20 LEU HB2 1 1 10 8174 2 2 20 LEU HB3 H -0.929 2.007 -0.440 1.00 . B A . 20 LEU HB3 1 1 10 8175 2 2 20 LEU HD11 H 0.215 -2.020 -0.641 1.00 . B A . 20 LEU HD11 1 1 10 8176 2 2 20 LEU HD12 H 1.371 -0.722 -0.360 1.00 . B A . 20 LEU HD12 1 1 10 8177 2 2 20 LEU HD13 H 0.720 -0.991 -1.981 1.00 . B A . 20 LEU HD13 1 1 10 8178 2 2 20 LEU HD21 H -1.835 0.422 1.080 1.00 . B A . 20 LEU HD21 1 1 10 8179 2 2 20 LEU HD22 H -0.113 0.196 1.430 1.00 . B A . 20 LEU HD22 1 1 10 8180 2 2 20 LEU HD23 H -1.136 -1.201 1.107 1.00 . B A . 20 LEU HD23 1 1 10 8181 2 2 20 LEU HG H -1.487 -0.386 -1.170 1.00 . B A . 20 LEU HG 1 1 10 8182 2 2 20 LEU N N 0.020 0.871 -3.510 1.00 . B A . 20 LEU N 1 1 10 8183 2 2 20 LEU O O -0.448 4.208 -2.445 1.00 . B A . 20 LEU O 1 1 10 8184 2 2 21 ALA C C 1.386 5.257 -4.591 1.00 . B A . 21 ALA C 1 1 10 8185 2 2 21 ALA CA C 2.118 4.358 -3.600 1.00 . B A . 21 ALA CA 1 1 10 8186 2 2 21 ALA CB C 3.496 4.017 -4.136 1.00 . B A . 21 ALA CB 1 1 10 8187 2 2 21 ALA H H 1.746 2.244 -3.417 1.00 . B A . 21 ALA H 1 1 10 8188 2 2 21 ALA HA H 2.244 4.917 -2.685 1.00 . B A . 21 ALA HA 1 1 10 8189 2 2 21 ALA HB1 H 4.095 4.913 -4.206 1.00 . B A . 21 ALA HB1 1 1 10 8190 2 2 21 ALA HB2 H 3.388 3.587 -5.120 1.00 . B A . 21 ALA HB2 1 1 10 8191 2 2 21 ALA HB3 H 3.975 3.301 -3.485 1.00 . B A . 21 ALA HB3 1 1 10 8192 2 2 21 ALA N N 1.358 3.139 -3.270 1.00 . B A . 21 ALA N 1 1 10 8193 2 2 21 ALA O O 1.472 6.484 -4.507 1.00 . B A . 21 ALA O 1 1 10 8194 2 2 22 ARG C C -1.470 5.857 -6.025 1.00 . B A . 22 ARG C 1 1 10 8195 2 2 22 ARG CA C -0.080 5.415 -6.524 1.00 . B A . 22 ARG CA 1 1 10 8196 2 2 22 ARG CB C -0.162 4.644 -7.862 1.00 . B A . 22 ARG CB 1 1 10 8197 2 2 22 ARG CD C -0.739 2.553 -9.129 1.00 . B A . 22 ARG CD 1 1 10 8198 2 2 22 ARG CG C -0.836 3.278 -7.793 1.00 . B A . 22 ARG CG 1 1 10 8199 2 2 22 ARG CZ C -0.668 0.091 -9.580 1.00 . B A . 22 ARG CZ 1 1 10 8200 2 2 22 ARG H H 0.635 3.671 -5.524 1.00 . B A . 22 ARG H 1 1 10 8201 2 2 22 ARG HA H 0.493 6.316 -6.685 1.00 . B A . 22 ARG HA 1 1 10 8202 2 2 22 ARG HB2 H -0.709 5.247 -8.569 1.00 . B A . 22 ARG HB2 1 1 10 8203 2 2 22 ARG HB3 H 0.842 4.507 -8.235 1.00 . B A . 22 ARG HB3 1 1 10 8204 2 2 22 ARG HD2 H -1.283 3.119 -9.870 1.00 . B A . 22 ARG HD2 1 1 10 8205 2 2 22 ARG HD3 H 0.300 2.503 -9.417 1.00 . B A . 22 ARG HD3 1 1 10 8206 2 2 22 ARG HE H -2.196 1.110 -8.705 1.00 . B A . 22 ARG HE 1 1 10 8207 2 2 22 ARG HG2 H -0.352 2.686 -7.031 1.00 . B A . 22 ARG HG2 1 1 10 8208 2 2 22 ARG HG3 H -1.878 3.413 -7.539 1.00 . B A . 22 ARG HG3 1 1 10 8209 2 2 22 ARG HH11 H 1.098 1.036 -10.026 1.00 . B A . 22 ARG HH11 1 1 10 8210 2 2 22 ARG HH12 H 1.065 -0.611 -10.420 1.00 . B A . 22 ARG HH12 1 1 10 8211 2 2 22 ARG HH21 H -2.208 -1.217 -9.225 1.00 . B A . 22 ARG HH21 1 1 10 8212 2 2 22 ARG HH22 H -0.831 -1.914 -9.940 1.00 . B A . 22 ARG HH22 1 1 10 8213 2 2 22 ARG N N 0.654 4.653 -5.514 1.00 . B A . 22 ARG N 1 1 10 8214 2 2 22 ARG NE N -1.292 1.185 -9.087 1.00 . B A . 22 ARG NE 1 1 10 8215 2 2 22 ARG NH1 N 0.578 0.179 -10.034 1.00 . B A . 22 ARG NH1 1 1 10 8216 2 2 22 ARG NH2 N -1.280 -1.090 -9.581 1.00 . B A . 22 ARG NH2 1 1 10 8217 2 2 22 ARG O O -2.268 6.426 -6.779 1.00 . B A . 22 ARG O 1 1 10 8218 2 2 23 PHE C C -2.768 6.945 -2.974 1.00 . B A . 23 PHE C 1 1 10 8219 2 2 23 PHE CA C -3.002 6.041 -4.154 1.00 . B A . 23 PHE CA 1 1 10 8220 2 2 23 PHE CB C -3.894 4.855 -3.754 1.00 . B A . 23 PHE CB 1 1 10 8221 2 2 23 PHE CD1 C -3.880 3.166 -5.606 1.00 . B A . 23 PHE CD1 1 1 10 8222 2 2 23 PHE CD2 C -5.833 4.467 -5.286 1.00 . B A . 23 PHE CD2 1 1 10 8223 2 2 23 PHE CE1 C -4.478 2.513 -6.657 1.00 . B A . 23 PHE CE1 1 1 10 8224 2 2 23 PHE CE2 C -6.440 3.820 -6.337 1.00 . B A . 23 PHE CE2 1 1 10 8225 2 2 23 PHE CG C -4.545 4.147 -4.909 1.00 . B A . 23 PHE CG 1 1 10 8226 2 2 23 PHE CZ C -5.762 2.841 -7.026 1.00 . B A . 23 PHE CZ 1 1 10 8227 2 2 23 PHE H H -1.074 5.149 -4.214 1.00 . B A . 23 PHE H 1 1 10 8228 2 2 23 PHE HA H -3.520 6.627 -4.892 1.00 . B A . 23 PHE HA 1 1 10 8229 2 2 23 PHE HB2 H -3.293 4.132 -3.223 1.00 . B A . 23 PHE HB2 1 1 10 8230 2 2 23 PHE HB3 H -4.674 5.212 -3.097 1.00 . B A . 23 PHE HB3 1 1 10 8231 2 2 23 PHE HD1 H -2.871 2.907 -5.321 1.00 . B A . 23 PHE HD1 1 1 10 8232 2 2 23 PHE HD2 H -6.369 5.234 -4.747 1.00 . B A . 23 PHE HD2 1 1 10 8233 2 2 23 PHE HE1 H -3.936 1.746 -7.189 1.00 . B A . 23 PHE HE1 1 1 10 8234 2 2 23 PHE HE2 H -7.447 4.085 -6.621 1.00 . B A . 23 PHE HE2 1 1 10 8235 2 2 23 PHE HZ H -6.237 2.330 -7.851 1.00 . B A . 23 PHE HZ 1 1 10 8236 2 2 23 PHE N N -1.745 5.615 -4.758 1.00 . B A . 23 PHE N 1 1 10 8237 2 2 23 PHE O O -3.146 8.124 -2.998 1.00 . B A . 23 PHE O 1 1 10 8238 2 2 24 CYS C C -3.086 7.235 0.156 1.00 . B A . 24 CYS C 1 1 10 8239 2 2 24 CYS CA C -1.820 7.077 -0.691 1.00 . B A . 24 CYS CA 1 1 10 8240 2 2 24 CYS CB C -1.110 8.435 -0.866 1.00 . B A . 24 CYS CB 1 1 10 8241 2 2 24 CYS H H -1.792 5.479 -2.118 1.00 . B A . 24 CYS H 1 1 10 8242 2 2 24 CYS HA H -1.167 6.408 -0.146 1.00 . B A . 24 CYS HA 1 1 10 8243 2 2 24 CYS HB2 H -1.762 9.100 -1.412 1.00 . B A . 24 CYS HB2 1 1 10 8244 2 2 24 CYS HB3 H -0.926 8.856 0.112 1.00 . B A . 24 CYS HB3 1 1 10 8245 2 2 24 CYS N N -2.106 6.399 -1.974 1.00 . B A . 24 CYS N 1 1 10 8246 2 2 24 CYS O O -3.249 6.570 1.159 1.00 . B A . 24 CYS O 1 1 10 8247 2 2 24 CYS SG S 0.482 8.372 -1.757 1.00 . B A . 24 CYS SG 1 1 10 8248 2 2 25 NH2 HN1 H -3.782 8.641 -1.053 1.00 . B A . 25 NH2 HN1 1 1 10 8249 2 2 25 NH2 HN2 H -4.764 8.255 0.321 1.00 . B A . 25 NH2 HN2 1 1 10 8250 2 2 25 NH2 N N -3.963 8.135 -0.232 1.00 . B A . 25 NH2 N 1 1 11 8251 1 1 1 ASP C C 11.195 -3.214 0.814 1.00 . A B . 1 ASP C 1 1 11 8252 1 1 1 ASP CA C 10.576 -3.965 1.986 1.00 . A B . 1 ASP CA 1 1 11 8253 1 1 1 ASP CB C 11.292 -3.550 3.275 1.00 . A B . 1 ASP CB 1 1 11 8254 1 1 1 ASP CG C 10.546 -3.898 4.527 1.00 . A B . 1 ASP CG 1 1 11 8255 1 1 1 ASP H1 H 10.129 -5.908 2.617 1.00 . A B . 1 ASP H1 1 1 11 8256 1 1 1 ASP H2 H 11.483 -5.837 1.620 1.00 . A B . 1 ASP H2 1 1 11 8257 1 1 1 ASP H3 H 9.922 -5.654 0.978 1.00 . A B . 1 ASP H3 1 1 11 8258 1 1 1 ASP HA H 9.546 -3.646 2.054 1.00 . A B . 1 ASP HA 1 1 11 8259 1 1 1 ASP HB2 H 12.253 -4.039 3.317 1.00 . A B . 1 ASP HB2 1 1 11 8260 1 1 1 ASP HB3 H 11.444 -2.482 3.242 1.00 . A B . 1 ASP HB3 1 1 11 8261 1 1 1 ASP N N 10.542 -5.433 1.790 1.00 . A B . 1 ASP N 1 1 11 8262 1 1 1 ASP O O 11.118 -1.981 0.770 1.00 . A B . 1 ASP O 1 1 11 8263 1 1 1 ASP OD1 O 9.521 -3.252 4.823 1.00 . A B . 1 ASP OD1 1 1 11 8264 1 1 1 ASP OD2 O 10.973 -4.830 5.248 1.00 . A B . 1 ASP OD2 1 1 11 8265 1 1 2 SER C C 11.280 -2.763 -2.158 1.00 . A B . 2 SER C 1 1 11 8266 1 1 2 SER CA C 12.419 -3.260 -1.272 1.00 . A B . 2 SER CA 1 1 11 8267 1 1 2 SER CB C 13.284 -4.224 -2.027 1.00 . A B . 2 SER CB 1 1 11 8268 1 1 2 SER H H 11.978 -4.881 -0.038 1.00 . A B . 2 SER H 1 1 11 8269 1 1 2 SER HA H 13.002 -2.417 -0.936 1.00 . A B . 2 SER HA 1 1 11 8270 1 1 2 SER HB2 H 12.611 -4.892 -2.533 1.00 . A B . 2 SER HB2 1 1 11 8271 1 1 2 SER HB3 H 13.854 -3.684 -2.770 1.00 . A B . 2 SER HB3 1 1 11 8272 1 1 2 SER HG H 14.541 -4.266 -0.529 1.00 . A B . 2 SER HG 1 1 11 8273 1 1 2 SER N N 11.845 -3.913 -0.109 1.00 . A B . 2 SER N 1 1 11 8274 1 1 2 SER O O 10.442 -3.531 -2.564 1.00 . A B . 2 SER O 1 1 11 8275 1 1 2 SER OG O 14.183 -4.913 -1.152 1.00 . A B . 2 SER OG 1 1 11 8276 1 1 3 TRP C C 9.732 -1.278 -4.444 1.00 . A B . 3 TRP C 1 1 11 8277 1 1 3 TRP CA C 10.196 -0.790 -3.083 1.00 . A B . 3 TRP CA 1 1 11 8278 1 1 3 TRP CB C 10.449 0.723 -3.118 1.00 . A B . 3 TRP CB 1 1 11 8279 1 1 3 TRP CD1 C 11.783 1.939 -1.308 1.00 . A B . 3 TRP CD1 1 1 11 8280 1 1 3 TRP CD2 C 9.721 1.369 -0.676 1.00 . A B . 3 TRP CD2 1 1 11 8281 1 1 3 TRP CE2 C 10.351 2.028 0.393 1.00 . A B . 3 TRP CE2 1 1 11 8282 1 1 3 TRP CE3 C 8.414 0.914 -0.506 1.00 . A B . 3 TRP CE3 1 1 11 8283 1 1 3 TRP CG C 10.657 1.333 -1.762 1.00 . A B . 3 TRP CG 1 1 11 8284 1 1 3 TRP CH2 C 8.443 1.782 1.749 1.00 . A B . 3 TRP CH2 1 1 11 8285 1 1 3 TRP CZ2 C 9.721 2.243 1.614 1.00 . A B . 3 TRP CZ2 1 1 11 8286 1 1 3 TRP CZ3 C 7.793 1.122 0.701 1.00 . A B . 3 TRP CZ3 1 1 11 8287 1 1 3 TRP H H 12.218 -1.109 -2.416 1.00 . A B . 3 TRP H 1 1 11 8288 1 1 3 TRP HA H 9.374 -0.952 -2.400 1.00 . A B . 3 TRP HA 1 1 11 8289 1 1 3 TRP HB2 H 11.332 0.918 -3.707 1.00 . A B . 3 TRP HB2 1 1 11 8290 1 1 3 TRP HB3 H 9.602 1.210 -3.578 1.00 . A B . 3 TRP HB3 1 1 11 8291 1 1 3 TRP HD1 H 12.683 2.072 -1.893 1.00 . A B . 3 TRP HD1 1 1 11 8292 1 1 3 TRP HE1 H 12.278 2.840 0.514 1.00 . A B . 3 TRP HE1 1 1 11 8293 1 1 3 TRP HE3 H 7.885 0.406 -1.298 1.00 . A B . 3 TRP HE3 1 1 11 8294 1 1 3 TRP HH2 H 7.912 1.921 2.680 1.00 . A B . 3 TRP HH2 1 1 11 8295 1 1 3 TRP HZ2 H 10.211 2.751 2.430 1.00 . A B . 3 TRP HZ2 1 1 11 8296 1 1 3 TRP HZ3 H 6.783 0.762 0.839 1.00 . A B . 3 TRP HZ3 1 1 11 8297 1 1 3 TRP N N 11.334 -1.518 -2.506 1.00 . A B . 3 TRP N 1 1 11 8298 1 1 3 TRP NE1 N 11.601 2.373 -0.025 1.00 . A B . 3 TRP NE1 1 1 11 8299 1 1 3 TRP O O 8.566 -1.071 -4.810 1.00 . A B . 3 TRP O 1 1 11 8300 1 1 4 MET C C 9.387 -3.646 -6.421 1.00 . A B . 4 MET C 1 1 11 8301 1 1 4 MET CA C 10.184 -2.353 -6.509 1.00 . A B . 4 MET CA 1 1 11 8302 1 1 4 MET CB C 11.382 -2.509 -7.448 1.00 . A B . 4 MET CB 1 1 11 8303 1 1 4 MET CE C 10.958 -0.234 -9.701 1.00 . A B . 4 MET CE 1 1 11 8304 1 1 4 MET CG C 10.993 -2.897 -8.872 1.00 . A B . 4 MET CG 1 1 11 8305 1 1 4 MET H H 11.489 -2.112 -4.851 1.00 . A B . 4 MET H 1 1 11 8306 1 1 4 MET HA H 9.530 -1.589 -6.903 1.00 . A B . 4 MET HA 1 1 11 8307 1 1 4 MET HB2 H 11.926 -1.578 -7.481 1.00 . A B . 4 MET HB2 1 1 11 8308 1 1 4 MET HB3 H 12.031 -3.277 -7.056 1.00 . A B . 4 MET HB3 1 1 11 8309 1 1 4 MET HE1 H 11.859 -0.456 -10.253 1.00 . A B . 4 MET HE1 1 1 11 8310 1 1 4 MET HE2 H 11.214 0.049 -8.691 1.00 . A B . 4 MET HE2 1 1 11 8311 1 1 4 MET HE3 H 10.435 0.581 -10.180 1.00 . A B . 4 MET HE3 1 1 11 8312 1 1 4 MET HG2 H 11.892 -2.990 -9.463 1.00 . A B . 4 MET HG2 1 1 11 8313 1 1 4 MET HG3 H 10.486 -3.850 -8.837 1.00 . A B . 4 MET HG3 1 1 11 8314 1 1 4 MET N N 10.594 -1.917 -5.196 1.00 . A B . 4 MET N 1 1 11 8315 1 1 4 MET O O 8.288 -3.741 -6.965 1.00 . A B . 4 MET O 1 1 11 8316 1 1 4 MET SD S 9.903 -1.686 -9.673 1.00 . A B . 4 MET SD 1 1 11 8317 1 1 5 GLU C C 8.597 -6.018 -4.174 1.00 . A B . 5 GLU C 1 1 11 8318 1 1 5 GLU CA C 9.218 -5.856 -5.531 1.00 . A B . 5 GLU CA 1 1 11 8319 1 1 5 GLU CB C 10.142 -7.018 -5.880 1.00 . A B . 5 GLU CB 1 1 11 8320 1 1 5 GLU CD C 9.236 -7.406 -8.180 1.00 . A B . 5 GLU CD 1 1 11 8321 1 1 5 GLU CG C 10.465 -7.108 -7.357 1.00 . A B . 5 GLU CG 1 1 11 8322 1 1 5 GLU H H 10.704 -4.419 -5.161 1.00 . A B . 5 GLU H 1 1 11 8323 1 1 5 GLU HA H 8.416 -5.837 -6.252 1.00 . A B . 5 GLU HA 1 1 11 8324 1 1 5 GLU HB2 H 11.068 -6.897 -5.341 1.00 . A B . 5 GLU HB2 1 1 11 8325 1 1 5 GLU HB3 H 9.672 -7.943 -5.577 1.00 . A B . 5 GLU HB3 1 1 11 8326 1 1 5 GLU HG2 H 10.876 -6.163 -7.680 1.00 . A B . 5 GLU HG2 1 1 11 8327 1 1 5 GLU HG3 H 11.191 -7.891 -7.516 1.00 . A B . 5 GLU HG3 1 1 11 8328 1 1 5 GLU N N 9.876 -4.583 -5.664 1.00 . A B . 5 GLU N 1 1 11 8329 1 1 5 GLU O O 9.241 -6.469 -3.215 1.00 . A B . 5 GLU O 1 1 11 8330 1 1 5 GLU OE1 O 8.534 -6.465 -8.602 1.00 . A B . 5 GLU OE1 1 1 11 8331 1 1 5 GLU OE2 O 8.949 -8.595 -8.416 1.00 . A B . 5 GLU OE2 1 1 11 8332 1 1 6 GLU C C 5.149 -5.956 -3.149 1.00 . A B . 6 GLU C 1 1 11 8333 1 1 6 GLU CA C 6.596 -5.662 -2.873 1.00 . A B . 6 GLU CA 1 1 11 8334 1 1 6 GLU CB C 6.656 -4.329 -2.167 1.00 . A B . 6 GLU CB 1 1 11 8335 1 1 6 GLU CD C 7.861 -4.837 -0.067 1.00 . A B . 6 GLU CD 1 1 11 8336 1 1 6 GLU CG C 7.863 -4.054 -1.329 1.00 . A B . 6 GLU CG 1 1 11 8337 1 1 6 GLU H H 6.906 -5.331 -4.914 1.00 . A B . 6 GLU H 1 1 11 8338 1 1 6 GLU HA H 7.018 -6.411 -2.222 1.00 . A B . 6 GLU HA 1 1 11 8339 1 1 6 GLU HB2 H 6.574 -3.536 -2.896 1.00 . A B . 6 GLU HB2 1 1 11 8340 1 1 6 GLU HB3 H 5.797 -4.292 -1.515 1.00 . A B . 6 GLU HB3 1 1 11 8341 1 1 6 GLU HG2 H 8.745 -4.316 -1.894 1.00 . A B . 6 GLU HG2 1 1 11 8342 1 1 6 GLU HG3 H 7.890 -3.002 -1.088 1.00 . A B . 6 GLU HG3 1 1 11 8343 1 1 6 GLU N N 7.354 -5.633 -4.094 1.00 . A B . 6 GLU N 1 1 11 8344 1 1 6 GLU O O 4.495 -5.239 -3.920 1.00 . A B . 6 GLU O 1 1 11 8345 1 1 6 GLU OE1 O 7.203 -4.407 0.899 1.00 . A B . 6 GLU OE1 1 1 11 8346 1 1 6 GLU OE2 O 8.538 -5.877 0.015 1.00 . A B . 6 GLU OE2 1 1 11 8347 1 1 7 VAL C C 2.922 -8.012 -1.229 1.00 . A B . 7 VAL C 1 1 11 8348 1 1 7 VAL CA C 3.279 -7.350 -2.551 1.00 . A B . 7 VAL CA 1 1 11 8349 1 1 7 VAL CB C 2.907 -8.242 -3.796 1.00 . A B . 7 VAL CB 1 1 11 8350 1 1 7 VAL CG1 C 3.788 -9.482 -3.917 1.00 . A B . 7 VAL CG1 1 1 11 8351 1 1 7 VAL CG2 C 1.425 -8.630 -3.766 1.00 . A B . 7 VAL CG2 1 1 11 8352 1 1 7 VAL H H 5.253 -7.478 -1.915 1.00 . A B . 7 VAL H 1 1 11 8353 1 1 7 VAL HA H 2.720 -6.426 -2.592 1.00 . A B . 7 VAL HA 1 1 11 8354 1 1 7 VAL HB H 3.074 -7.644 -4.681 1.00 . A B . 7 VAL HB 1 1 11 8355 1 1 7 VAL HG11 H 3.485 -10.058 -4.779 1.00 . A B . 7 VAL HG11 1 1 11 8356 1 1 7 VAL HG12 H 3.683 -10.081 -3.026 1.00 . A B . 7 VAL HG12 1 1 11 8357 1 1 7 VAL HG13 H 4.819 -9.179 -4.029 1.00 . A B . 7 VAL HG13 1 1 11 8358 1 1 7 VAL HG21 H 0.813 -7.739 -3.774 1.00 . A B . 7 VAL HG21 1 1 11 8359 1 1 7 VAL HG22 H 1.217 -9.190 -2.865 1.00 . A B . 7 VAL HG22 1 1 11 8360 1 1 7 VAL HG23 H 1.184 -9.236 -4.626 1.00 . A B . 7 VAL HG23 1 1 11 8361 1 1 7 VAL N N 4.658 -6.961 -2.501 1.00 . A B . 7 VAL N 1 1 11 8362 1 1 7 VAL O O 3.403 -9.101 -0.896 1.00 . A B . 7 VAL O 1 1 11 8363 1 1 8 ILE C C 0.297 -7.553 1.026 1.00 . A B . 8 ILE C 1 1 11 8364 1 1 8 ILE CA C 1.767 -7.763 0.864 1.00 . A B . 8 ILE CA 1 1 11 8365 1 1 8 ILE CB C 2.500 -6.998 2.017 1.00 . A B . 8 ILE CB 1 1 11 8366 1 1 8 ILE CD1 C 2.817 -4.672 3.067 1.00 . A B . 8 ILE CD1 1 1 11 8367 1 1 8 ILE CG1 C 2.188 -5.494 1.956 1.00 . A B . 8 ILE CG1 1 1 11 8368 1 1 8 ILE CG2 C 4.003 -7.255 1.995 1.00 . A B . 8 ILE CG2 1 1 11 8369 1 1 8 ILE H H 1.773 -6.471 -0.780 1.00 . A B . 8 ILE H 1 1 11 8370 1 1 8 ILE HA H 1.993 -8.816 0.942 1.00 . A B . 8 ILE HA 1 1 11 8371 1 1 8 ILE HB H 2.123 -7.388 2.952 1.00 . A B . 8 ILE HB 1 1 11 8372 1 1 8 ILE HD11 H 3.892 -4.771 3.025 1.00 . A B . 8 ILE HD11 1 1 11 8373 1 1 8 ILE HD12 H 2.461 -5.028 4.023 1.00 . A B . 8 ILE HD12 1 1 11 8374 1 1 8 ILE HD13 H 2.545 -3.635 2.945 1.00 . A B . 8 ILE HD13 1 1 11 8375 1 1 8 ILE HG12 H 2.528 -5.121 1.004 1.00 . A B . 8 ILE HG12 1 1 11 8376 1 1 8 ILE HG13 H 1.117 -5.370 2.008 1.00 . A B . 8 ILE HG13 1 1 11 8377 1 1 8 ILE HG21 H 4.403 -6.917 1.050 1.00 . A B . 8 ILE HG21 1 1 11 8378 1 1 8 ILE HG22 H 4.192 -8.312 2.110 1.00 . A B . 8 ILE HG22 1 1 11 8379 1 1 8 ILE HG23 H 4.474 -6.713 2.800 1.00 . A B . 8 ILE HG23 1 1 11 8380 1 1 8 ILE N N 2.151 -7.315 -0.453 1.00 . A B . 8 ILE N 1 1 11 8381 1 1 8 ILE O O -0.350 -6.968 0.148 1.00 . A B . 8 ILE O 1 1 11 8382 1 1 9 LYS C C -1.685 -6.987 3.702 1.00 . A B . 9 LYS C 1 1 11 8383 1 1 9 LYS CA C -1.596 -7.818 2.428 1.00 . A B . 9 LYS CA 1 1 11 8384 1 1 9 LYS CB C -2.384 -9.138 2.553 1.00 . A B . 9 LYS CB 1 1 11 8385 1 1 9 LYS CD C -2.684 -11.379 3.689 1.00 . A B . 9 LYS CD 1 1 11 8386 1 1 9 LYS CE C -2.939 -12.089 2.367 1.00 . A B . 9 LYS CE 1 1 11 8387 1 1 9 LYS CG C -1.801 -10.142 3.533 1.00 . A B . 9 LYS CG 1 1 11 8388 1 1 9 LYS H H 0.349 -8.514 2.737 1.00 . A B . 9 LYS H 1 1 11 8389 1 1 9 LYS HA H -2.001 -7.243 1.606 1.00 . A B . 9 LYS HA 1 1 11 8390 1 1 9 LYS HB2 H -3.391 -8.911 2.869 1.00 . A B . 9 LYS HB2 1 1 11 8391 1 1 9 LYS HB3 H -2.424 -9.601 1.577 1.00 . A B . 9 LYS HB3 1 1 11 8392 1 1 9 LYS HD2 H -2.186 -12.070 4.350 1.00 . A B . 9 LYS HD2 1 1 11 8393 1 1 9 LYS HD3 H -3.629 -11.085 4.121 1.00 . A B . 9 LYS HD3 1 1 11 8394 1 1 9 LYS HE2 H -3.547 -11.452 1.743 1.00 . A B . 9 LYS HE2 1 1 11 8395 1 1 9 LYS HE3 H -1.995 -12.276 1.878 1.00 . A B . 9 LYS HE3 1 1 11 8396 1 1 9 LYS HG2 H -0.831 -10.453 3.172 1.00 . A B . 9 LYS HG2 1 1 11 8397 1 1 9 LYS HG3 H -1.689 -9.664 4.494 1.00 . A B . 9 LYS HG3 1 1 11 8398 1 1 9 LYS HZ1 H -4.561 -13.235 3.052 1.00 . A B . 9 LYS HZ1 1 1 11 8399 1 1 9 LYS HZ2 H -3.083 -14.017 3.154 1.00 . A B . 9 LYS HZ2 1 1 11 8400 1 1 9 LYS HZ3 H -3.843 -13.856 1.669 1.00 . A B . 9 LYS HZ3 1 1 11 8401 1 1 9 LYS N N -0.226 -8.032 2.105 1.00 . A B . 9 LYS N 1 1 11 8402 1 1 9 LYS NZ N -3.653 -13.372 2.567 1.00 . A B . 9 LYS NZ 1 1 11 8403 1 1 9 LYS O O -0.888 -7.157 4.638 1.00 . A B . 9 LYS O 1 1 11 8404 1 1 10 LEU C C -4.242 -4.724 4.782 1.00 . A B . 10 LEU C 1 1 11 8405 1 1 10 LEU CA C -2.828 -5.182 4.831 1.00 . A B . 10 LEU CA 1 1 11 8406 1 1 10 LEU CB C -1.855 -3.944 4.904 1.00 . A B . 10 LEU CB 1 1 11 8407 1 1 10 LEU CD1 C -0.656 -1.991 4.012 1.00 . A B . 10 LEU CD1 1 1 11 8408 1 1 10 LEU CD2 C -1.456 -3.654 2.429 1.00 . A B . 10 LEU CD2 1 1 11 8409 1 1 10 LEU CG C -1.752 -2.990 3.739 1.00 . A B . 10 LEU CG 1 1 11 8410 1 1 10 LEU H H -3.193 -5.989 2.935 1.00 . A B . 10 LEU H 1 1 11 8411 1 1 10 LEU HA H -2.722 -5.769 5.732 1.00 . A B . 10 LEU HA 1 1 11 8412 1 1 10 LEU HB2 H -2.321 -3.337 5.665 1.00 . A B . 10 LEU HB2 1 1 11 8413 1 1 10 LEU HB3 H -0.867 -4.076 5.289 1.00 . A B . 10 LEU HB3 1 1 11 8414 1 1 10 LEU HD11 H -0.797 -1.522 4.975 1.00 . A B . 10 LEU HD11 1 1 11 8415 1 1 10 LEU HD12 H -0.670 -1.234 3.242 1.00 . A B . 10 LEU HD12 1 1 11 8416 1 1 10 LEU HD13 H 0.298 -2.496 3.995 1.00 . A B . 10 LEU HD13 1 1 11 8417 1 1 10 LEU HD21 H -0.513 -4.174 2.501 1.00 . A B . 10 LEU HD21 1 1 11 8418 1 1 10 LEU HD22 H -1.398 -2.909 1.651 1.00 . A B . 10 LEU HD22 1 1 11 8419 1 1 10 LEU HD23 H -2.241 -4.360 2.199 1.00 . A B . 10 LEU HD23 1 1 11 8420 1 1 10 LEU HG H -2.741 -2.564 3.725 1.00 . A B . 10 LEU HG 1 1 11 8421 1 1 10 LEU N N -2.600 -6.076 3.715 1.00 . A B . 10 LEU N 1 1 11 8422 1 1 10 LEU O O -4.896 -4.844 3.762 1.00 . A B . 10 LEU O 1 1 11 8423 1 1 11 CYS C C -6.157 -2.673 7.013 1.00 . A B . 11 CYS C 1 1 11 8424 1 1 11 CYS CA C -6.077 -3.791 6.005 1.00 . A B . 11 CYS CA 1 1 11 8425 1 1 11 CYS CB C -6.890 -4.957 6.561 1.00 . A B . 11 CYS CB 1 1 11 8426 1 1 11 CYS H H -4.028 -3.897 6.524 1.00 . A B . 11 CYS H 1 1 11 8427 1 1 11 CYS HA H -6.489 -3.486 5.056 1.00 . A B . 11 CYS HA 1 1 11 8428 1 1 11 CYS HB2 H -6.530 -5.108 7.562 1.00 . A B . 11 CYS HB2 1 1 11 8429 1 1 11 CYS HB3 H -7.921 -4.645 6.610 1.00 . A B . 11 CYS HB3 1 1 11 8430 1 1 11 CYS N N -4.684 -4.154 5.844 1.00 . A B . 11 CYS N 1 1 11 8431 1 1 11 CYS O O -5.224 -2.492 7.780 1.00 . A B . 11 CYS O 1 1 11 8432 1 1 11 CYS SG S -6.804 -6.547 5.654 1.00 . A B . 11 CYS SG 1 1 11 8433 1 1 12 GLY C C -6.390 0.099 8.186 1.00 . A B . 12 GLY C 1 1 11 8434 1 1 12 GLY CA C -7.529 -0.858 7.923 1.00 . A B . 12 GLY CA 1 1 11 8435 1 1 12 GLY H H -7.902 -2.124 6.269 1.00 . A B . 12 GLY H 1 1 11 8436 1 1 12 GLY HA2 H -8.380 -0.279 7.606 1.00 . A B . 12 GLY HA2 1 1 11 8437 1 1 12 GLY HA3 H -7.784 -1.330 8.860 1.00 . A B . 12 GLY HA3 1 1 11 8438 1 1 12 GLY N N -7.247 -1.929 6.973 1.00 . A B . 12 GLY N 1 1 11 8439 1 1 12 GLY O O -5.828 0.736 7.259 1.00 . A B . 12 GLY O 1 1 11 8440 1 1 13 ARG C C -3.667 0.622 9.336 1.00 . A B . 13 ARG C 1 1 11 8441 1 1 13 ARG CA C -4.987 1.020 9.955 1.00 . A B . 13 ARG CA 1 1 11 8442 1 1 13 ARG CB C -4.893 0.909 11.488 1.00 . A B . 13 ARG CB 1 1 11 8443 1 1 13 ARG CD C -6.048 1.026 13.726 1.00 . A B . 13 ARG CD 1 1 11 8444 1 1 13 ARG CG C -6.214 1.136 12.216 1.00 . A B . 13 ARG CG 1 1 11 8445 1 1 13 ARG CZ C -7.528 0.929 15.744 1.00 . A B . 13 ARG CZ 1 1 11 8446 1 1 13 ARG H H -6.508 -0.448 10.052 1.00 . A B . 13 ARG H 1 1 11 8447 1 1 13 ARG HA H -5.209 2.042 9.685 1.00 . A B . 13 ARG HA 1 1 11 8448 1 1 13 ARG HB2 H -4.533 -0.076 11.742 1.00 . A B . 13 ARG HB2 1 1 11 8449 1 1 13 ARG HB3 H -4.181 1.640 11.843 1.00 . A B . 13 ARG HB3 1 1 11 8450 1 1 13 ARG HD2 H -5.585 0.079 13.960 1.00 . A B . 13 ARG HD2 1 1 11 8451 1 1 13 ARG HD3 H -5.412 1.832 14.059 1.00 . A B . 13 ARG HD3 1 1 11 8452 1 1 13 ARG HE H -8.117 1.292 13.847 1.00 . A B . 13 ARG HE 1 1 11 8453 1 1 13 ARG HG2 H -6.593 2.116 11.975 1.00 . A B . 13 ARG HG2 1 1 11 8454 1 1 13 ARG HG3 H -6.921 0.388 11.888 1.00 . A B . 13 ARG HG3 1 1 11 8455 1 1 13 ARG HH11 H -5.548 0.884 16.222 1.00 . A B . 13 ARG HH11 1 1 11 8456 1 1 13 ARG HH12 H -6.592 0.657 17.543 1.00 . A B . 13 ARG HH12 1 1 11 8457 1 1 13 ARG HH21 H -9.568 1.059 15.673 1.00 . A B . 13 ARG HH21 1 1 11 8458 1 1 13 ARG HH22 H -8.935 0.777 17.222 1.00 . A B . 13 ARG HH22 1 1 11 8459 1 1 13 ARG N N -6.034 0.159 9.443 1.00 . A B . 13 ARG N 1 1 11 8460 1 1 13 ARG NE N -7.341 1.114 14.428 1.00 . A B . 13 ARG NE 1 1 11 8461 1 1 13 ARG NH1 N -6.491 0.817 16.557 1.00 . A B . 13 ARG NH1 1 1 11 8462 1 1 13 ARG NH2 N -8.755 0.924 16.245 1.00 . A B . 13 ARG NH2 1 1 11 8463 1 1 13 ARG O O -2.874 1.471 8.961 1.00 . A B . 13 ARG O 1 1 11 8464 1 1 14 GLU C C -2.073 -0.705 7.158 1.00 . A B . 14 GLU C 1 1 11 8465 1 1 14 GLU CA C -2.243 -1.197 8.574 1.00 . A B . 14 GLU CA 1 1 11 8466 1 1 14 GLU CB C -2.216 -2.709 8.566 1.00 . A B . 14 GLU CB 1 1 11 8467 1 1 14 GLU CD C -1.958 -4.844 9.776 1.00 . A B . 14 GLU CD 1 1 11 8468 1 1 14 GLU CG C -2.083 -3.359 9.915 1.00 . A B . 14 GLU CG 1 1 11 8469 1 1 14 GLU H H -4.171 -1.315 9.427 1.00 . A B . 14 GLU H 1 1 11 8470 1 1 14 GLU HA H -1.408 -0.839 9.157 1.00 . A B . 14 GLU HA 1 1 11 8471 1 1 14 GLU HB2 H -3.140 -3.054 8.127 1.00 . A B . 14 GLU HB2 1 1 11 8472 1 1 14 GLU HB3 H -1.400 -3.034 7.939 1.00 . A B . 14 GLU HB3 1 1 11 8473 1 1 14 GLU HG2 H -1.203 -2.976 10.411 1.00 . A B . 14 GLU HG2 1 1 11 8474 1 1 14 GLU HG3 H -2.960 -3.139 10.506 1.00 . A B . 14 GLU HG3 1 1 11 8475 1 1 14 GLU N N -3.465 -0.681 9.166 1.00 . A B . 14 GLU N 1 1 11 8476 1 1 14 GLU O O -0.939 -0.401 6.743 1.00 . A B . 14 GLU O 1 1 11 8477 1 1 14 GLU OE1 O -0.966 -5.311 9.173 1.00 . A B . 14 GLU OE1 1 1 11 8478 1 1 14 GLU OE2 O -2.833 -5.583 10.261 1.00 . A B . 14 GLU OE2 1 1 11 8479 1 1 15 LEU C C -2.596 1.279 5.016 1.00 . A B . 15 LEU C 1 1 11 8480 1 1 15 LEU CA C -3.144 -0.131 5.016 1.00 . A B . 15 LEU CA 1 1 11 8481 1 1 15 LEU CB C -4.550 -0.028 4.366 1.00 . A B . 15 LEU CB 1 1 11 8482 1 1 15 LEU CD1 C -6.778 -0.985 3.887 1.00 . A B . 15 LEU CD1 1 1 11 8483 1 1 15 LEU CD2 C -4.855 -1.784 2.619 1.00 . A B . 15 LEU CD2 1 1 11 8484 1 1 15 LEU CG C -5.294 -1.293 3.978 1.00 . A B . 15 LEU CG 1 1 11 8485 1 1 15 LEU H H -4.060 -0.847 6.820 1.00 . A B . 15 LEU H 1 1 11 8486 1 1 15 LEU HA H -2.543 -0.887 4.518 1.00 . A B . 15 LEU HA 1 1 11 8487 1 1 15 LEU HB2 H -5.182 0.507 5.057 1.00 . A B . 15 LEU HB2 1 1 11 8488 1 1 15 LEU HB3 H -4.448 0.586 3.483 1.00 . A B . 15 LEU HB3 1 1 11 8489 1 1 15 LEU HD11 H -7.306 -1.879 3.588 1.00 . A B . 15 LEU HD11 1 1 11 8490 1 1 15 LEU HD12 H -6.950 -0.199 3.168 1.00 . A B . 15 LEU HD12 1 1 11 8491 1 1 15 LEU HD13 H -7.134 -0.676 4.860 1.00 . A B . 15 LEU HD13 1 1 11 8492 1 1 15 LEU HD21 H -3.784 -1.706 2.517 1.00 . A B . 15 LEU HD21 1 1 11 8493 1 1 15 LEU HD22 H -5.320 -1.165 1.865 1.00 . A B . 15 LEU HD22 1 1 11 8494 1 1 15 LEU HD23 H -5.163 -2.815 2.514 1.00 . A B . 15 LEU HD23 1 1 11 8495 1 1 15 LEU HG H -5.114 -2.069 4.706 1.00 . A B . 15 LEU HG 1 1 11 8496 1 1 15 LEU N N -3.203 -0.606 6.408 1.00 . A B . 15 LEU N 1 1 11 8497 1 1 15 LEU O O -1.705 1.621 4.245 1.00 . A B . 15 LEU O 1 1 11 8498 1 1 16 VAL C C -1.280 3.591 6.528 1.00 . A B . 16 VAL C 1 1 11 8499 1 1 16 VAL CA C -2.726 3.455 6.108 1.00 . A B . 16 VAL CA 1 1 11 8500 1 1 16 VAL CB C -3.662 4.174 7.124 1.00 . A B . 16 VAL CB 1 1 11 8501 1 1 16 VAL CG1 C -3.259 5.617 7.351 1.00 . A B . 16 VAL CG1 1 1 11 8502 1 1 16 VAL CG2 C -5.099 4.107 6.656 1.00 . A B . 16 VAL CG2 1 1 11 8503 1 1 16 VAL H H -3.745 1.658 6.586 1.00 . A B . 16 VAL H 1 1 11 8504 1 1 16 VAL HA H -2.817 3.931 5.142 1.00 . A B . 16 VAL HA 1 1 11 8505 1 1 16 VAL HB H -3.597 3.652 8.068 1.00 . A B . 16 VAL HB 1 1 11 8506 1 1 16 VAL HG11 H -3.917 6.054 8.089 1.00 . A B . 16 VAL HG11 1 1 11 8507 1 1 16 VAL HG12 H -3.341 6.165 6.424 1.00 . A B . 16 VAL HG12 1 1 11 8508 1 1 16 VAL HG13 H -2.241 5.656 7.708 1.00 . A B . 16 VAL HG13 1 1 11 8509 1 1 16 VAL HG21 H -5.734 4.603 7.374 1.00 . A B . 16 VAL HG21 1 1 11 8510 1 1 16 VAL HG22 H -5.398 3.074 6.560 1.00 . A B . 16 VAL HG22 1 1 11 8511 1 1 16 VAL HG23 H -5.184 4.603 5.700 1.00 . A B . 16 VAL HG23 1 1 11 8512 1 1 16 VAL N N -3.089 2.053 5.967 1.00 . A B . 16 VAL N 1 1 11 8513 1 1 16 VAL O O -0.550 4.397 5.966 1.00 . A B . 16 VAL O 1 1 11 8514 1 1 17 ARG C C 1.516 2.630 6.876 1.00 . A B . 17 ARG C 1 1 11 8515 1 1 17 ARG CA C 0.498 2.777 7.984 1.00 . A B . 17 ARG CA 1 1 11 8516 1 1 17 ARG CB C 0.699 1.730 9.096 1.00 . A B . 17 ARG CB 1 1 11 8517 1 1 17 ARG CD C -0.882 2.967 10.636 1.00 . A B . 17 ARG CD 1 1 11 8518 1 1 17 ARG CG C 0.448 2.250 10.520 1.00 . A B . 17 ARG CG 1 1 11 8519 1 1 17 ARG CZ C -1.933 4.463 12.304 1.00 . A B . 17 ARG CZ 1 1 11 8520 1 1 17 ARG H H -1.530 2.142 7.850 1.00 . A B . 17 ARG H 1 1 11 8521 1 1 17 ARG HA H 0.654 3.755 8.406 1.00 . A B . 17 ARG HA 1 1 11 8522 1 1 17 ARG HB2 H 0.004 0.923 8.916 1.00 . A B . 17 ARG HB2 1 1 11 8523 1 1 17 ARG HB3 H 1.700 1.330 9.045 1.00 . A B . 17 ARG HB3 1 1 11 8524 1 1 17 ARG HD2 H -0.862 3.837 9.996 1.00 . A B . 17 ARG HD2 1 1 11 8525 1 1 17 ARG HD3 H -1.657 2.300 10.289 1.00 . A B . 17 ARG HD3 1 1 11 8526 1 1 17 ARG HE H -0.882 2.765 12.693 1.00 . A B . 17 ARG HE 1 1 11 8527 1 1 17 ARG HG2 H 0.451 1.414 11.203 1.00 . A B . 17 ARG HG2 1 1 11 8528 1 1 17 ARG HG3 H 1.243 2.931 10.787 1.00 . A B . 17 ARG HG3 1 1 11 8529 1 1 17 ARG HH11 H -1.778 5.337 10.465 1.00 . A B . 17 ARG HH11 1 1 11 8530 1 1 17 ARG HH12 H -2.723 6.210 11.573 1.00 . A B . 17 ARG HH12 1 1 11 8531 1 1 17 ARG HH21 H -2.141 3.988 14.267 1.00 . A B . 17 ARG HH21 1 1 11 8532 1 1 17 ARG HH22 H -2.926 5.427 13.807 1.00 . A B . 17 ARG HH22 1 1 11 8533 1 1 17 ARG N N -0.871 2.770 7.477 1.00 . A B . 17 ARG N 1 1 11 8534 1 1 17 ARG NE N -1.196 3.389 11.995 1.00 . A B . 17 ARG NE 1 1 11 8535 1 1 17 ARG NH1 N -2.160 5.399 11.391 1.00 . A B . 17 ARG NH1 1 1 11 8536 1 1 17 ARG NH2 N -2.359 4.643 13.540 1.00 . A B . 17 ARG NH2 1 1 11 8537 1 1 17 ARG O O 2.480 3.397 6.813 1.00 . A B . 17 ARG O 1 1 11 8538 1 1 18 ALA C C 2.029 2.623 3.852 1.00 . A B . 18 ALA C 1 1 11 8539 1 1 18 ALA CA C 2.184 1.515 4.872 1.00 . A B . 18 ALA CA 1 1 11 8540 1 1 18 ALA CB C 1.995 0.164 4.223 1.00 . A B . 18 ALA CB 1 1 11 8541 1 1 18 ALA H H 0.453 1.186 6.075 1.00 . A B . 18 ALA H 1 1 11 8542 1 1 18 ALA HA H 3.186 1.567 5.272 1.00 . A B . 18 ALA HA 1 1 11 8543 1 1 18 ALA HB1 H 2.726 0.037 3.438 1.00 . A B . 18 ALA HB1 1 1 11 8544 1 1 18 ALA HB2 H 1.002 0.106 3.802 1.00 . A B . 18 ALA HB2 1 1 11 8545 1 1 18 ALA HB3 H 2.120 -0.617 4.959 1.00 . A B . 18 ALA HB3 1 1 11 8546 1 1 18 ALA N N 1.275 1.712 5.978 1.00 . A B . 18 ALA N 1 1 11 8547 1 1 18 ALA O O 3.014 3.202 3.429 1.00 . A B . 18 ALA O 1 1 11 8548 1 1 19 GLN C C 1.127 5.307 2.866 1.00 . A B . 19 GLN C 1 1 11 8549 1 1 19 GLN CA C 0.479 3.981 2.515 1.00 . A B . 19 GLN CA 1 1 11 8550 1 1 19 GLN CB C -1.027 4.162 2.405 1.00 . A B . 19 GLN CB 1 1 11 8551 1 1 19 GLN CD C -3.184 3.305 1.438 1.00 . A B . 19 GLN CD 1 1 11 8552 1 1 19 GLN CG C -1.690 3.182 1.467 1.00 . A B . 19 GLN CG 1 1 11 8553 1 1 19 GLN H H 0.022 2.493 3.939 1.00 . A B . 19 GLN H 1 1 11 8554 1 1 19 GLN HA H 0.848 3.633 1.558 1.00 . A B . 19 GLN HA 1 1 11 8555 1 1 19 GLN HB2 H -1.428 3.982 3.393 1.00 . A B . 19 GLN HB2 1 1 11 8556 1 1 19 GLN HB3 H -1.275 5.174 2.131 1.00 . A B . 19 GLN HB3 1 1 11 8557 1 1 19 GLN HE21 H -3.238 2.708 -0.448 1.00 . A B . 19 GLN HE21 1 1 11 8558 1 1 19 GLN HE22 H -4.758 3.083 0.280 1.00 . A B . 19 GLN HE22 1 1 11 8559 1 1 19 GLN HG2 H -1.340 3.425 0.475 1.00 . A B . 19 GLN HG2 1 1 11 8560 1 1 19 GLN HG3 H -1.412 2.174 1.737 1.00 . A B . 19 GLN HG3 1 1 11 8561 1 1 19 GLN N N 0.781 2.945 3.503 1.00 . A B . 19 GLN N 1 1 11 8562 1 1 19 GLN NE2 N -3.780 3.002 0.313 1.00 . A B . 19 GLN NE2 1 1 11 8563 1 1 19 GLN O O 1.874 5.871 2.070 1.00 . A B . 19 GLN O 1 1 11 8564 1 1 19 GLN OE1 O -3.799 3.679 2.417 1.00 . A B . 19 GLN OE1 1 1 11 8565 1 1 20 ILE C C 2.916 6.992 4.663 1.00 . A B . 20 ILE C 1 1 11 8566 1 1 20 ILE CA C 1.385 7.034 4.559 1.00 . A B . 20 ILE CA 1 1 11 8567 1 1 20 ILE CB C 0.737 7.417 5.927 1.00 . A B . 20 ILE CB 1 1 11 8568 1 1 20 ILE CD1 C -1.200 8.661 4.763 1.00 . A B . 20 ILE CD1 1 1 11 8569 1 1 20 ILE CG1 C -0.785 7.603 5.774 1.00 . A B . 20 ILE CG1 1 1 11 8570 1 1 20 ILE CG2 C 1.367 8.661 6.534 1.00 . A B . 20 ILE CG2 1 1 11 8571 1 1 20 ILE H H 0.268 5.242 4.644 1.00 . A B . 20 ILE H 1 1 11 8572 1 1 20 ILE HA H 1.130 7.792 3.834 1.00 . A B . 20 ILE HA 1 1 11 8573 1 1 20 ILE HB H 0.906 6.597 6.609 1.00 . A B . 20 ILE HB 1 1 11 8574 1 1 20 ILE HD11 H -0.772 9.613 5.038 1.00 . A B . 20 ILE HD11 1 1 11 8575 1 1 20 ILE HD12 H -2.276 8.738 4.753 1.00 . A B . 20 ILE HD12 1 1 11 8576 1 1 20 ILE HD13 H -0.858 8.379 3.778 1.00 . A B . 20 ILE HD13 1 1 11 8577 1 1 20 ILE HG12 H -1.220 6.667 5.457 1.00 . A B . 20 ILE HG12 1 1 11 8578 1 1 20 ILE HG13 H -1.200 7.876 6.732 1.00 . A B . 20 ILE HG13 1 1 11 8579 1 1 20 ILE HG21 H 2.421 8.486 6.695 1.00 . A B . 20 ILE HG21 1 1 11 8580 1 1 20 ILE HG22 H 0.890 8.885 7.476 1.00 . A B . 20 ILE HG22 1 1 11 8581 1 1 20 ILE HG23 H 1.240 9.493 5.858 1.00 . A B . 20 ILE HG23 1 1 11 8582 1 1 20 ILE N N 0.859 5.774 4.061 1.00 . A B . 20 ILE N 1 1 11 8583 1 1 20 ILE O O 3.594 7.992 4.362 1.00 . A B . 20 ILE O 1 1 11 8584 1 1 21 ALA C C 5.559 5.862 3.762 1.00 . A B . 21 ALA C 1 1 11 8585 1 1 21 ALA CA C 4.904 5.671 5.126 1.00 . A B . 21 ALA CA 1 1 11 8586 1 1 21 ALA CB C 5.262 4.310 5.693 1.00 . A B . 21 ALA CB 1 1 11 8587 1 1 21 ALA H H 2.877 5.079 5.259 1.00 . A B . 21 ALA H 1 1 11 8588 1 1 21 ALA HA H 5.280 6.433 5.792 1.00 . A B . 21 ALA HA 1 1 11 8589 1 1 21 ALA HB1 H 4.802 4.189 6.663 1.00 . A B . 21 ALA HB1 1 1 11 8590 1 1 21 ALA HB2 H 6.334 4.232 5.787 1.00 . A B . 21 ALA HB2 1 1 11 8591 1 1 21 ALA HB3 H 4.903 3.540 5.027 1.00 . A B . 21 ALA HB3 1 1 11 8592 1 1 21 ALA N N 3.459 5.838 5.033 1.00 . A B . 21 ALA N 1 1 11 8593 1 1 21 ALA O O 6.487 6.642 3.625 1.00 . A B . 21 ALA O 1 1 11 8594 1 1 22 ILE C C 5.317 6.680 0.807 1.00 . A B . 22 ILE C 1 1 11 8595 1 1 22 ILE CA C 5.564 5.282 1.380 1.00 . A B . 22 ILE CA 1 1 11 8596 1 1 22 ILE CB C 4.863 4.276 0.438 1.00 . A B . 22 ILE CB 1 1 11 8597 1 1 22 ILE CD1 C 3.875 1.954 0.345 1.00 . A B . 22 ILE CD1 1 1 11 8598 1 1 22 ILE CG1 C 4.794 2.901 1.072 1.00 . A B . 22 ILE CG1 1 1 11 8599 1 1 22 ILE CG2 C 5.638 4.183 -0.875 1.00 . A B . 22 ILE CG2 1 1 11 8600 1 1 22 ILE H H 4.238 4.632 2.929 1.00 . A B . 22 ILE H 1 1 11 8601 1 1 22 ILE HA H 6.623 5.065 1.403 1.00 . A B . 22 ILE HA 1 1 11 8602 1 1 22 ILE HB H 3.861 4.628 0.235 1.00 . A B . 22 ILE HB 1 1 11 8603 1 1 22 ILE HD11 H 2.878 2.367 0.329 1.00 . A B . 22 ILE HD11 1 1 11 8604 1 1 22 ILE HD12 H 3.859 1.004 0.859 1.00 . A B . 22 ILE HD12 1 1 11 8605 1 1 22 ILE HD13 H 4.222 1.820 -0.669 1.00 . A B . 22 ILE HD13 1 1 11 8606 1 1 22 ILE HG12 H 5.785 2.473 1.080 1.00 . A B . 22 ILE HG12 1 1 11 8607 1 1 22 ILE HG13 H 4.442 2.994 2.088 1.00 . A B . 22 ILE HG13 1 1 11 8608 1 1 22 ILE HG21 H 5.632 5.143 -1.369 1.00 . A B . 22 ILE HG21 1 1 11 8609 1 1 22 ILE HG22 H 5.183 3.438 -1.510 1.00 . A B . 22 ILE HG22 1 1 11 8610 1 1 22 ILE HG23 H 6.657 3.894 -0.666 1.00 . A B . 22 ILE HG23 1 1 11 8611 1 1 22 ILE N N 5.021 5.201 2.748 1.00 . A B . 22 ILE N 1 1 11 8612 1 1 22 ILE O O 6.093 7.198 0.002 1.00 . A B . 22 ILE O 1 1 11 8613 1 1 23 CYS C C 4.734 9.695 1.336 1.00 . A B . 23 CYS C 1 1 11 8614 1 1 23 CYS CA C 3.814 8.587 0.799 1.00 . A B . 23 CYS CA 1 1 11 8615 1 1 23 CYS CB C 2.368 8.791 1.271 1.00 . A B . 23 CYS CB 1 1 11 8616 1 1 23 CYS H H 3.736 6.843 1.976 1.00 . A B . 23 CYS H 1 1 11 8617 1 1 23 CYS HA H 3.836 8.580 -0.279 1.00 . A B . 23 CYS HA 1 1 11 8618 1 1 23 CYS HB2 H 1.830 7.864 1.144 1.00 . A B . 23 CYS HB2 1 1 11 8619 1 1 23 CYS HB3 H 2.389 9.031 2.324 1.00 . A B . 23 CYS HB3 1 1 11 8620 1 1 23 CYS N N 4.263 7.296 1.283 1.00 . A B . 23 CYS N 1 1 11 8621 1 1 23 CYS O O 4.833 10.781 0.752 1.00 . A B . 23 CYS O 1 1 11 8622 1 1 23 CYS SG S 1.400 10.076 0.428 1.00 . A B . 23 CYS SG 1 1 11 8623 1 1 24 GLY C C 7.795 9.931 2.668 1.00 . A B . 24 GLY C 1 1 11 8624 1 1 24 GLY CA C 6.374 10.343 2.980 1.00 . A B . 24 GLY CA 1 1 11 8625 1 1 24 GLY H H 5.265 8.545 2.878 1.00 . A B . 24 GLY H 1 1 11 8626 1 1 24 GLY HA2 H 6.188 11.318 2.555 1.00 . A B . 24 GLY HA2 1 1 11 8627 1 1 24 GLY HA3 H 6.252 10.393 4.050 1.00 . A B . 24 GLY HA3 1 1 11 8628 1 1 24 GLY N N 5.422 9.404 2.430 1.00 . A B . 24 GLY N 1 1 11 8629 1 1 24 GLY O O 8.675 10.766 2.493 1.00 . A B . 24 GLY O 1 1 11 8630 1 1 25 MET C C 9.268 7.563 0.871 1.00 . A B . 25 MET C 1 1 11 8631 1 1 25 MET CA C 9.306 8.086 2.276 1.00 . A B . 25 MET CA 1 1 11 8632 1 1 25 MET CB C 9.722 6.975 3.258 1.00 . A B . 25 MET CB 1 1 11 8633 1 1 25 MET CE C 11.058 8.936 6.699 1.00 . A B . 25 MET CE 1 1 11 8634 1 1 25 MET CG C 9.866 7.423 4.706 1.00 . A B . 25 MET CG 1 1 11 8635 1 1 25 MET H H 7.279 8.008 2.713 1.00 . A B . 25 MET H 1 1 11 8636 1 1 25 MET HA H 10.017 8.896 2.323 1.00 . A B . 25 MET HA 1 1 11 8637 1 1 25 MET HB2 H 8.978 6.193 3.224 1.00 . A B . 25 MET HB2 1 1 11 8638 1 1 25 MET HB3 H 10.667 6.566 2.933 1.00 . A B . 25 MET HB3 1 1 11 8639 1 1 25 MET HE1 H 11.748 9.716 6.986 1.00 . A B . 25 MET HE1 1 1 11 8640 1 1 25 MET HE2 H 11.359 8.003 7.154 1.00 . A B . 25 MET HE2 1 1 11 8641 1 1 25 MET HE3 H 10.064 9.195 7.032 1.00 . A B . 25 MET HE3 1 1 11 8642 1 1 25 MET HG2 H 8.904 7.769 5.057 1.00 . A B . 25 MET HG2 1 1 11 8643 1 1 25 MET HG3 H 10.181 6.579 5.301 1.00 . A B . 25 MET HG3 1 1 11 8644 1 1 25 MET N N 8.015 8.641 2.584 1.00 . A B . 25 MET N 1 1 11 8645 1 1 25 MET O O 9.389 6.366 0.612 1.00 . A B . 25 MET O 1 1 11 8646 1 1 25 MET SD S 11.065 8.760 4.913 1.00 . A B . 25 MET SD 1 1 11 8647 1 1 26 SER C C 10.335 8.124 -2.111 1.00 . A B . 26 SER C 1 1 11 8648 1 1 26 SER CA C 8.948 8.197 -1.448 1.00 . A B . 26 SER CA 1 1 11 8649 1 1 26 SER CB C 8.118 9.287 -2.072 1.00 . A B . 26 SER CB 1 1 11 8650 1 1 26 SER H H 8.913 9.382 0.309 1.00 . A B . 26 SER H 1 1 11 8651 1 1 26 SER HA H 8.433 7.258 -1.578 1.00 . A B . 26 SER HA 1 1 11 8652 1 1 26 SER HB2 H 8.621 10.235 -1.953 1.00 . A B . 26 SER HB2 1 1 11 8653 1 1 26 SER HB3 H 7.992 9.066 -3.119 1.00 . A B . 26 SER HB3 1 1 11 8654 1 1 26 SER HG H 6.763 8.567 -0.871 1.00 . A B . 26 SER HG 1 1 11 8655 1 1 26 SER N N 9.042 8.468 -0.024 1.00 . A B . 26 SER N 1 1 11 8656 1 1 26 SER O O 10.496 8.404 -3.308 1.00 . A B . 26 SER O 1 1 11 8657 1 1 26 SER OG O 6.843 9.344 -1.449 1.00 . A B . 26 SER OG 1 1 11 8658 1 1 27 THR C C 13.049 6.266 -1.032 1.00 . A B . 27 THR C 1 1 11 8659 1 1 27 THR CA C 12.621 7.531 -1.752 1.00 . A B . 27 THR CA 1 1 11 8660 1 1 27 THR CB C 13.479 8.728 -1.248 1.00 . A B . 27 THR CB 1 1 11 8661 1 1 27 THR CG2 C 14.794 8.839 -2.016 1.00 . A B . 27 THR CG2 1 1 11 8662 1 1 27 THR H H 11.111 7.401 -0.435 1.00 . A B . 27 THR H 1 1 11 8663 1 1 27 THR HA H 12.691 7.428 -2.824 1.00 . A B . 27 THR HA 1 1 11 8664 1 1 27 THR HB H 13.693 8.554 -0.204 1.00 . A B . 27 THR HB 1 1 11 8665 1 1 27 THR HG1 H 12.873 10.229 -2.355 1.00 . A B . 27 THR HG1 1 1 11 8666 1 1 27 THR HG21 H 15.331 9.712 -1.674 1.00 . A B . 27 THR HG21 1 1 11 8667 1 1 27 THR HG22 H 14.591 8.940 -3.072 1.00 . A B . 27 THR HG22 1 1 11 8668 1 1 27 THR HG23 H 15.401 7.963 -1.841 1.00 . A B . 27 THR HG23 1 1 11 8669 1 1 27 THR N N 11.287 7.695 -1.351 1.00 . A B . 27 THR N 1 1 11 8670 1 1 27 THR O O 12.281 5.732 -0.209 1.00 . A B . 27 THR O 1 1 11 8671 1 1 27 THR OG1 O 12.754 9.952 -1.439 1.00 . A B . 27 THR OG1 1 1 11 8672 1 1 28 TRP C C 15.270 5.009 0.711 1.00 . A B . 28 TRP C 1 1 11 8673 1 1 28 TRP CA C 14.702 4.626 -0.636 1.00 . A B . 28 TRP CA 1 1 11 8674 1 1 28 TRP CB C 15.717 3.871 -1.494 1.00 . A B . 28 TRP CB 1 1 11 8675 1 1 28 TRP CD1 C 14.775 1.846 -2.709 1.00 . A B . 28 TRP CD1 1 1 11 8676 1 1 28 TRP CD2 C 14.741 3.707 -3.945 1.00 . A B . 28 TRP CD2 1 1 11 8677 1 1 28 TRP CE2 C 14.203 2.652 -4.703 1.00 . A B . 28 TRP CE2 1 1 11 8678 1 1 28 TRP CE3 C 14.814 4.977 -4.523 1.00 . A B . 28 TRP CE3 1 1 11 8679 1 1 28 TRP CG C 15.105 3.159 -2.662 1.00 . A B . 28 TRP CG 1 1 11 8680 1 1 28 TRP CH2 C 13.831 4.073 -6.542 1.00 . A B . 28 TRP CH2 1 1 11 8681 1 1 28 TRP CZ2 C 13.745 2.824 -6.004 1.00 . A B . 28 TRP CZ2 1 1 11 8682 1 1 28 TRP CZ3 C 14.358 5.143 -5.816 1.00 . A B . 28 TRP CZ3 1 1 11 8683 1 1 28 TRP H H 14.742 6.279 -1.953 1.00 . A B . 28 TRP H 1 1 11 8684 1 1 28 TRP HA H 13.848 3.990 -0.460 1.00 . A B . 28 TRP HA 1 1 11 8685 1 1 28 TRP HB2 H 16.446 4.568 -1.874 1.00 . A B . 28 TRP HB2 1 1 11 8686 1 1 28 TRP HB3 H 16.218 3.136 -0.879 1.00 . A B . 28 TRP HB3 1 1 11 8687 1 1 28 TRP HD1 H 14.922 1.155 -1.892 1.00 . A B . 28 TRP HD1 1 1 11 8688 1 1 28 TRP HE1 H 13.929 0.639 -4.190 1.00 . A B . 28 TRP HE1 1 1 11 8689 1 1 28 TRP HE3 H 15.216 5.818 -3.980 1.00 . A B . 28 TRP HE3 1 1 11 8690 1 1 28 TRP HH2 H 13.488 4.249 -7.550 1.00 . A B . 28 TRP HH2 1 1 11 8691 1 1 28 TRP HZ2 H 13.334 2.006 -6.578 1.00 . A B . 28 TRP HZ2 1 1 11 8692 1 1 28 TRP HZ3 H 14.409 6.117 -6.282 1.00 . A B . 28 TRP HZ3 1 1 11 8693 1 1 28 TRP N N 14.202 5.794 -1.301 1.00 . A B . 28 TRP N 1 1 11 8694 1 1 28 TRP NE1 N 14.240 1.535 -3.926 1.00 . A B . 28 TRP NE1 1 1 11 8695 1 1 28 TRP O O 16.471 5.204 0.869 1.00 . A B . 28 TRP O 1 1 11 8696 1 1 29 SER C C 14.276 4.482 3.901 1.00 . A B . 29 SER C 1 1 11 8697 1 1 29 SER CA C 14.691 5.610 2.967 1.00 . A B . 29 SER CA 1 1 11 8698 1 1 29 SER CB C 13.923 6.890 3.309 1.00 . A B . 29 SER CB 1 1 11 8699 1 1 29 SER H H 13.430 5.129 1.386 1.00 . A B . 29 SER H 1 1 11 8700 1 1 29 SER HA H 15.752 5.795 3.045 1.00 . A B . 29 SER HA 1 1 11 8701 1 1 29 SER HB2 H 12.872 6.663 3.400 1.00 . A B . 29 SER HB2 1 1 11 8702 1 1 29 SER HB3 H 14.288 7.288 4.245 1.00 . A B . 29 SER HB3 1 1 11 8703 1 1 29 SER HG H 15.005 7.830 1.965 1.00 . A B . 29 SER HG 1 1 11 8704 1 1 29 SER N N 14.376 5.226 1.631 1.00 . A B . 29 SER N 1 1 11 8705 1 1 29 SER O O 13.114 4.391 4.310 1.00 . A B . 29 SER O 1 1 11 8706 1 1 29 SER OG O 14.097 7.880 2.290 1.00 . A B . 29 SER OG 1 1 11 8707 1 1 30 NH2 HN1 H 16.084 3.734 3.810 1.00 . A B . 30 NH2 HN1 1 1 11 8708 1 1 30 NH2 HN2 H 14.929 2.815 4.711 1.00 . A B . 30 NH2 HN2 1 1 11 8709 1 1 30 NH2 N N 15.184 3.591 4.169 1.00 . A B . 30 NH2 N 1 1 11 8710 2 2 1 PCA C C -12.350 3.221 -5.949 1.00 . B A . 1 PCA C 1 1 11 8711 2 2 1 PCA CA C -13.580 4.119 -5.915 1.00 . B A . 1 PCA CA 1 1 11 8712 2 2 1 PCA CB C -13.499 5.045 -4.713 1.00 . B A . 1 PCA CB 1 1 11 8713 2 2 1 PCA CD C -15.268 3.462 -4.505 1.00 . B A . 1 PCA CD 1 1 11 8714 2 2 1 PCA CG C -14.619 4.629 -3.784 1.00 . B A . 1 PCA CG 1 1 11 8715 2 2 1 PCA HA H -13.624 4.682 -6.835 1.00 . B A . 1 PCA HA 1 1 11 8716 2 2 1 PCA HB2 H -12.538 4.925 -4.214 1.00 . B A . 1 PCA HB2 1 1 11 8717 2 2 1 PCA HB3 H -13.631 6.081 -5.023 1.00 . B A . 1 PCA HB3 1 1 11 8718 2 2 1 PCA HG2 H -14.217 4.323 -2.816 1.00 . B A . 1 PCA HG2 1 1 11 8719 2 2 1 PCA HG3 H -15.352 5.425 -3.668 1.00 . B A . 1 PCA HG3 1 1 11 8720 2 2 1 PCA N N -14.794 3.316 -5.738 1.00 . B A . 1 PCA N 1 1 11 8721 2 2 1 PCA O O -12.382 2.082 -5.434 1.00 . B A . 1 PCA O 1 1 11 8722 2 2 1 PCA OE O -16.125 2.753 -3.999 1.00 . B A . 1 PCA OE 1 1 11 8723 2 2 2 LEU C C -9.390 2.779 -5.269 1.00 . B A . 2 LEU C 1 1 11 8724 2 2 2 LEU CA C -10.046 2.964 -6.632 1.00 . B A . 2 LEU CA 1 1 11 8725 2 2 2 LEU CB C -9.086 3.621 -7.622 1.00 . B A . 2 LEU CB 1 1 11 8726 2 2 2 LEU CD1 C -8.523 4.419 -9.930 1.00 . B A . 2 LEU CD1 1 1 11 8727 2 2 2 LEU CD2 C -9.753 2.265 -9.633 1.00 . B A . 2 LEU CD2 1 1 11 8728 2 2 2 LEU CG C -9.542 3.673 -9.085 1.00 . B A . 2 LEU CG 1 1 11 8729 2 2 2 LEU H H -11.308 4.636 -6.875 1.00 . B A . 2 LEU H 1 1 11 8730 2 2 2 LEU HA H -10.307 1.984 -7.000 1.00 . B A . 2 LEU HA 1 1 11 8731 2 2 2 LEU HB2 H -8.913 4.633 -7.290 1.00 . B A . 2 LEU HB2 1 1 11 8732 2 2 2 LEU HB3 H -8.148 3.086 -7.581 1.00 . B A . 2 LEU HB3 1 1 11 8733 2 2 2 LEU HD11 H -7.569 3.915 -9.869 1.00 . B A . 2 LEU HD11 1 1 11 8734 2 2 2 LEU HD12 H -8.421 5.429 -9.564 1.00 . B A . 2 LEU HD12 1 1 11 8735 2 2 2 LEU HD13 H -8.853 4.438 -10.957 1.00 . B A . 2 LEU HD13 1 1 11 8736 2 2 2 LEU HD21 H -8.835 1.702 -9.551 1.00 . B A . 2 LEU HD21 1 1 11 8737 2 2 2 LEU HD22 H -10.045 2.325 -10.671 1.00 . B A . 2 LEU HD22 1 1 11 8738 2 2 2 LEU HD23 H -10.534 1.770 -9.076 1.00 . B A . 2 LEU HD23 1 1 11 8739 2 2 2 LEU HG H -10.479 4.206 -9.145 1.00 . B A . 2 LEU HG 1 1 11 8740 2 2 2 LEU N N -11.278 3.716 -6.523 1.00 . B A . 2 LEU N 1 1 11 8741 2 2 2 LEU O O -8.755 1.756 -5.022 1.00 . B A . 2 LEU O 1 1 11 8742 2 2 3 TYR C C -9.642 2.464 -2.291 1.00 . B A . 3 TYR C 1 1 11 8743 2 2 3 TYR CA C -9.052 3.664 -3.008 1.00 . B A . 3 TYR CA 1 1 11 8744 2 2 3 TYR CB C -9.351 4.923 -2.184 1.00 . B A . 3 TYR CB 1 1 11 8745 2 2 3 TYR CD1 C -7.159 6.139 -2.156 1.00 . B A . 3 TYR CD1 1 1 11 8746 2 2 3 TYR CD2 C -9.037 7.255 -3.081 1.00 . B A . 3 TYR CD2 1 1 11 8747 2 2 3 TYR CE1 C -6.374 7.236 -2.406 1.00 . B A . 3 TYR CE1 1 1 11 8748 2 2 3 TYR CE2 C -8.258 8.362 -3.333 1.00 . B A . 3 TYR CE2 1 1 11 8749 2 2 3 TYR CG C -8.501 6.127 -2.489 1.00 . B A . 3 TYR CG 1 1 11 8750 2 2 3 TYR CZ C -6.924 8.346 -2.993 1.00 . B A . 3 TYR CZ 1 1 11 8751 2 2 3 TYR H H -10.049 4.562 -4.685 1.00 . B A . 3 TYR H 1 1 11 8752 2 2 3 TYR HA H -7.981 3.534 -3.072 1.00 . B A . 3 TYR HA 1 1 11 8753 2 2 3 TYR HB2 H -10.379 5.208 -2.349 1.00 . B A . 3 TYR HB2 1 1 11 8754 2 2 3 TYR HB3 H -9.226 4.683 -1.138 1.00 . B A . 3 TYR HB3 1 1 11 8755 2 2 3 TYR HD1 H -6.725 5.264 -1.696 1.00 . B A . 3 TYR HD1 1 1 11 8756 2 2 3 TYR HD2 H -10.084 7.265 -3.345 1.00 . B A . 3 TYR HD2 1 1 11 8757 2 2 3 TYR HE1 H -5.327 7.215 -2.137 1.00 . B A . 3 TYR HE1 1 1 11 8758 2 2 3 TYR HE2 H -8.694 9.234 -3.796 1.00 . B A . 3 TYR HE2 1 1 11 8759 2 2 3 TYR HH H -5.275 9.164 -3.542 1.00 . B A . 3 TYR HH 1 1 11 8760 2 2 3 TYR N N -9.568 3.760 -4.382 1.00 . B A . 3 TYR N 1 1 11 8761 2 2 3 TYR O O -8.918 1.598 -1.811 1.00 . B A . 3 TYR O 1 1 11 8762 2 2 3 TYR OH O -6.142 9.456 -3.232 1.00 . B A . 3 TYR OH 1 1 11 8763 2 2 4 SER C C -11.434 -0.003 -2.292 1.00 . B A . 4 SER C 1 1 11 8764 2 2 4 SER CA C -11.674 1.345 -1.593 1.00 . B A . 4 SER CA 1 1 11 8765 2 2 4 SER CB C -13.146 1.703 -1.555 1.00 . B A . 4 SER CB 1 1 11 8766 2 2 4 SER H H -11.487 3.125 -2.666 1.00 . B A . 4 SER H 1 1 11 8767 2 2 4 SER HA H -11.307 1.282 -0.580 1.00 . B A . 4 SER HA 1 1 11 8768 2 2 4 SER HB2 H -13.552 1.686 -2.555 1.00 . B A . 4 SER HB2 1 1 11 8769 2 2 4 SER HB3 H -13.674 0.999 -0.931 1.00 . B A . 4 SER HB3 1 1 11 8770 2 2 4 SER HG H -14.029 2.955 -0.367 1.00 . B A . 4 SER HG 1 1 11 8771 2 2 4 SER N N -10.959 2.411 -2.255 1.00 . B A . 4 SER N 1 1 11 8772 2 2 4 SER O O -11.401 -1.057 -1.642 1.00 . B A . 4 SER O 1 1 11 8773 2 2 4 SER OG O -13.305 3.010 -1.004 1.00 . B A . 4 SER OG 1 1 11 8774 2 2 5 ALA C C -9.581 -1.705 -3.899 1.00 . B A . 5 ALA C 1 1 11 8775 2 2 5 ALA CA C -10.918 -1.156 -4.363 1.00 . B A . 5 ALA CA 1 1 11 8776 2 2 5 ALA CB C -10.886 -0.866 -5.856 1.00 . B A . 5 ALA CB 1 1 11 8777 2 2 5 ALA H H -11.314 0.897 -4.079 1.00 . B A . 5 ALA H 1 1 11 8778 2 2 5 ALA HA H -11.684 -1.891 -4.161 1.00 . B A . 5 ALA HA 1 1 11 8779 2 2 5 ALA HB1 H -10.105 -0.149 -6.063 1.00 . B A . 5 ALA HB1 1 1 11 8780 2 2 5 ALA HB2 H -11.838 -0.462 -6.166 1.00 . B A . 5 ALA HB2 1 1 11 8781 2 2 5 ALA HB3 H -10.686 -1.780 -6.395 1.00 . B A . 5 ALA HB3 1 1 11 8782 2 2 5 ALA N N -11.236 0.040 -3.608 1.00 . B A . 5 ALA N 1 1 11 8783 2 2 5 ALA O O -9.481 -2.877 -3.536 1.00 . B A . 5 ALA O 1 1 11 8784 2 2 6 LEU C C -7.292 -1.707 -1.983 1.00 . B A . 6 LEU C 1 1 11 8785 2 2 6 LEU CA C -7.234 -1.189 -3.408 1.00 . B A . 6 LEU CA 1 1 11 8786 2 2 6 LEU CB C -6.281 0.027 -3.483 1.00 . B A . 6 LEU CB 1 1 11 8787 2 2 6 LEU CD1 C -4.162 -1.247 -3.858 1.00 . B A . 6 LEU CD1 1 1 11 8788 2 2 6 LEU CD2 C -4.036 1.082 -2.962 1.00 . B A . 6 LEU CD2 1 1 11 8789 2 2 6 LEU CG C -4.844 -0.215 -2.995 1.00 . B A . 6 LEU CG 1 1 11 8790 2 2 6 LEU H H -8.730 0.095 -4.162 1.00 . B A . 6 LEU H 1 1 11 8791 2 2 6 LEU HA H -6.855 -1.980 -4.043 1.00 . B A . 6 LEU HA 1 1 11 8792 2 2 6 LEU HB2 H -6.238 0.357 -4.510 1.00 . B A . 6 LEU HB2 1 1 11 8793 2 2 6 LEU HB3 H -6.708 0.821 -2.889 1.00 . B A . 6 LEU HB3 1 1 11 8794 2 2 6 LEU HD11 H -4.136 -0.901 -4.881 1.00 . B A . 6 LEU HD11 1 1 11 8795 2 2 6 LEU HD12 H -4.700 -2.182 -3.804 1.00 . B A . 6 LEU HD12 1 1 11 8796 2 2 6 LEU HD13 H -3.151 -1.397 -3.508 1.00 . B A . 6 LEU HD13 1 1 11 8797 2 2 6 LEU HD21 H -4.471 1.773 -2.255 1.00 . B A . 6 LEU HD21 1 1 11 8798 2 2 6 LEU HD22 H -4.029 1.529 -3.944 1.00 . B A . 6 LEU HD22 1 1 11 8799 2 2 6 LEU HD23 H -3.014 0.879 -2.666 1.00 . B A . 6 LEU HD23 1 1 11 8800 2 2 6 LEU HG H -4.893 -0.608 -1.990 1.00 . B A . 6 LEU HG 1 1 11 8801 2 2 6 LEU N N -8.573 -0.830 -3.865 1.00 . B A . 6 LEU N 1 1 11 8802 2 2 6 LEU O O -6.720 -2.746 -1.682 1.00 . B A . 6 LEU O 1 1 11 8803 2 2 7 ALA C C -8.684 -2.788 0.420 1.00 . B A . 7 ALA C 1 1 11 8804 2 2 7 ALA CA C -8.178 -1.354 0.271 1.00 . B A . 7 ALA CA 1 1 11 8805 2 2 7 ALA CB C -9.117 -0.380 0.966 1.00 . B A . 7 ALA CB 1 1 11 8806 2 2 7 ALA H H -8.442 -0.167 -1.458 1.00 . B A . 7 ALA H 1 1 11 8807 2 2 7 ALA HA H -7.207 -1.283 0.739 1.00 . B A . 7 ALA HA 1 1 11 8808 2 2 7 ALA HB1 H -9.178 -0.623 2.016 1.00 . B A . 7 ALA HB1 1 1 11 8809 2 2 7 ALA HB2 H -10.098 -0.452 0.520 1.00 . B A . 7 ALA HB2 1 1 11 8810 2 2 7 ALA HB3 H -8.743 0.627 0.849 1.00 . B A . 7 ALA HB3 1 1 11 8811 2 2 7 ALA N N -8.015 -0.990 -1.131 1.00 . B A . 7 ALA N 1 1 11 8812 2 2 7 ALA O O -8.072 -3.597 1.114 1.00 . B A . 7 ALA O 1 1 11 8813 2 2 8 ASN C C -9.434 -5.487 -0.832 1.00 . B A . 8 ASN C 1 1 11 8814 2 2 8 ASN CA C -10.346 -4.456 -0.211 1.00 . B A . 8 ASN CA 1 1 11 8815 2 2 8 ASN CB C -11.731 -4.524 -0.862 1.00 . B A . 8 ASN CB 1 1 11 8816 2 2 8 ASN CG C -12.829 -3.933 -0.004 1.00 . B A . 8 ASN CG 1 1 11 8817 2 2 8 ASN H H -10.183 -2.423 -0.840 1.00 . B A . 8 ASN H 1 1 11 8818 2 2 8 ASN HA H -10.449 -4.700 0.836 1.00 . B A . 8 ASN HA 1 1 11 8819 2 2 8 ASN HB2 H -11.704 -3.978 -1.793 1.00 . B A . 8 ASN HB2 1 1 11 8820 2 2 8 ASN HB3 H -11.969 -5.556 -1.071 1.00 . B A . 8 ASN HB3 1 1 11 8821 2 2 8 ASN HD21 H -12.550 -2.150 -0.811 1.00 . B A . 8 ASN HD21 1 1 11 8822 2 2 8 ASN HD22 H -13.782 -2.242 0.375 1.00 . B A . 8 ASN HD22 1 1 11 8823 2 2 8 ASN N N -9.767 -3.110 -0.272 1.00 . B A . 8 ASN N 1 1 11 8824 2 2 8 ASN ND2 N -13.077 -2.665 -0.157 1.00 . B A . 8 ASN ND2 1 1 11 8825 2 2 8 ASN O O -9.140 -6.511 -0.222 1.00 . B A . 8 ASN O 1 1 11 8826 2 2 8 ASN OD1 O -13.456 -4.632 0.805 1.00 . B A . 8 ASN OD1 1 1 11 8827 2 2 9 LYS C C -6.806 -6.427 -2.010 1.00 . B A . 9 LYS C 1 1 11 8828 2 2 9 LYS CA C -8.087 -6.115 -2.748 1.00 . B A . 9 LYS CA 1 1 11 8829 2 2 9 LYS CB C -7.785 -5.579 -4.143 1.00 . B A . 9 LYS CB 1 1 11 8830 2 2 9 LYS CD C -8.619 -5.142 -6.479 1.00 . B A . 9 LYS CD 1 1 11 8831 2 2 9 LYS CE C -7.612 -6.063 -7.156 1.00 . B A . 9 LYS CE 1 1 11 8832 2 2 9 LYS CG C -8.976 -5.618 -5.082 1.00 . B A . 9 LYS CG 1 1 11 8833 2 2 9 LYS H H -9.170 -4.330 -2.426 1.00 . B A . 9 LYS H 1 1 11 8834 2 2 9 LYS HA H -8.626 -7.043 -2.850 1.00 . B A . 9 LYS HA 1 1 11 8835 2 2 9 LYS HB2 H -7.506 -4.543 -4.022 1.00 . B A . 9 LYS HB2 1 1 11 8836 2 2 9 LYS HB3 H -6.951 -6.094 -4.588 1.00 . B A . 9 LYS HB3 1 1 11 8837 2 2 9 LYS HD2 H -9.514 -5.102 -7.081 1.00 . B A . 9 LYS HD2 1 1 11 8838 2 2 9 LYS HD3 H -8.196 -4.151 -6.405 1.00 . B A . 9 LYS HD3 1 1 11 8839 2 2 9 LYS HE2 H -6.685 -6.040 -6.603 1.00 . B A . 9 LYS HE2 1 1 11 8840 2 2 9 LYS HE3 H -8.005 -7.068 -7.163 1.00 . B A . 9 LYS HE3 1 1 11 8841 2 2 9 LYS HG2 H -9.332 -6.637 -5.145 1.00 . B A . 9 LYS HG2 1 1 11 8842 2 2 9 LYS HG3 H -9.757 -4.990 -4.681 1.00 . B A . 9 LYS HG3 1 1 11 8843 2 2 9 LYS HZ1 H -8.206 -5.661 -9.101 1.00 . B A . 9 LYS HZ1 1 1 11 8844 2 2 9 LYS HZ2 H -6.640 -6.278 -8.989 1.00 . B A . 9 LYS HZ2 1 1 11 8845 2 2 9 LYS HZ3 H -6.950 -4.679 -8.559 1.00 . B A . 9 LYS HZ3 1 1 11 8846 2 2 9 LYS N N -8.947 -5.196 -2.015 1.00 . B A . 9 LYS N 1 1 11 8847 2 2 9 LYS NZ N -7.333 -5.646 -8.540 1.00 . B A . 9 LYS NZ 1 1 11 8848 2 2 9 LYS O O -6.422 -7.580 -1.893 1.00 . B A . 9 LYS O 1 1 11 8849 2 2 10 CYS C C -5.132 -6.196 0.595 1.00 . B A . 10 CYS C 1 1 11 8850 2 2 10 CYS CA C -4.914 -5.599 -0.802 1.00 . B A . 10 CYS CA 1 1 11 8851 2 2 10 CYS CB C -4.206 -4.258 -0.726 1.00 . B A . 10 CYS CB 1 1 11 8852 2 2 10 CYS H H -6.564 -4.519 -1.521 1.00 . B A . 10 CYS H 1 1 11 8853 2 2 10 CYS HA H -4.298 -6.294 -1.362 1.00 . B A . 10 CYS HA 1 1 11 8854 2 2 10 CYS HB2 H -4.411 -3.697 -1.625 1.00 . B A . 10 CYS HB2 1 1 11 8855 2 2 10 CYS HB3 H -4.586 -3.709 0.124 1.00 . B A . 10 CYS HB3 1 1 11 8856 2 2 10 CYS N N -6.183 -5.427 -1.473 1.00 . B A . 10 CYS N 1 1 11 8857 2 2 10 CYS O O -4.213 -6.712 1.216 1.00 . B A . 10 CYS O 1 1 11 8858 2 2 10 CYS SG S -2.421 -4.371 -0.553 1.00 . B A . 10 CYS SG 1 1 11 8859 2 2 11 CYS C C -6.960 -8.214 2.164 1.00 . B A . 11 CYS C 1 1 11 8860 2 2 11 CYS CA C -6.715 -6.720 2.338 1.00 . B A . 11 CYS CA 1 1 11 8861 2 2 11 CYS CB C -7.964 -6.034 2.892 1.00 . B A . 11 CYS CB 1 1 11 8862 2 2 11 CYS H H -7.045 -5.627 0.579 1.00 . B A . 11 CYS H 1 1 11 8863 2 2 11 CYS HA H -5.897 -6.570 3.027 1.00 . B A . 11 CYS HA 1 1 11 8864 2 2 11 CYS HB2 H -7.778 -4.972 2.938 1.00 . B A . 11 CYS HB2 1 1 11 8865 2 2 11 CYS HB3 H -8.778 -6.204 2.203 1.00 . B A . 11 CYS HB3 1 1 11 8866 2 2 11 CYS N N -6.358 -6.127 1.071 1.00 . B A . 11 CYS N 1 1 11 8867 2 2 11 CYS O O -6.660 -9.026 3.049 1.00 . B A . 11 CYS O 1 1 11 8868 2 2 11 CYS SG S -8.500 -6.584 4.543 1.00 . B A . 11 CYS SG 1 1 11 8869 2 2 12 HIS C C -6.638 -10.680 0.100 1.00 . B A . 12 HIS C 1 1 11 8870 2 2 12 HIS CA C -7.804 -9.969 0.745 1.00 . B A . 12 HIS CA 1 1 11 8871 2 2 12 HIS CB C -9.083 -10.121 -0.094 1.00 . B A . 12 HIS CB 1 1 11 8872 2 2 12 HIS CD2 C -10.689 -8.671 1.321 1.00 . B A . 12 HIS CD2 1 1 11 8873 2 2 12 HIS CE1 C -12.356 -10.034 1.499 1.00 . B A . 12 HIS CE1 1 1 11 8874 2 2 12 HIS CG C -10.347 -9.789 0.651 1.00 . B A . 12 HIS CG 1 1 11 8875 2 2 12 HIS H H -7.714 -7.887 0.353 1.00 . B A . 12 HIS H 1 1 11 8876 2 2 12 HIS HA H -7.973 -10.442 1.702 1.00 . B A . 12 HIS HA 1 1 11 8877 2 2 12 HIS HB2 H -9.022 -9.464 -0.950 1.00 . B A . 12 HIS HB2 1 1 11 8878 2 2 12 HIS HB3 H -9.154 -11.142 -0.439 1.00 . B A . 12 HIS HB3 1 1 11 8879 2 2 12 HIS HD1 H -11.492 -11.535 0.368 1.00 . B A . 12 HIS HD1 1 1 11 8880 2 2 12 HIS HD2 H -10.061 -7.797 1.403 1.00 . B A . 12 HIS HD2 1 1 11 8881 2 2 12 HIS HE1 H -13.310 -10.469 1.759 1.00 . B A . 12 HIS HE1 1 1 11 8882 2 2 12 HIS N N -7.504 -8.579 1.021 1.00 . B A . 12 HIS N 1 1 11 8883 2 2 12 HIS ND1 N -11.419 -10.641 0.773 1.00 . B A . 12 HIS ND1 1 1 11 8884 2 2 12 HIS NE2 N -11.962 -8.821 1.863 1.00 . B A . 12 HIS NE2 1 1 11 8885 2 2 12 HIS O O -6.073 -11.604 0.677 1.00 . B A . 12 HIS O 1 1 11 8886 2 2 13 VAL C C -3.855 -10.196 -1.560 1.00 . B A . 13 VAL C 1 1 11 8887 2 2 13 VAL CA C -5.187 -10.900 -1.782 1.00 . B A . 13 VAL CA 1 1 11 8888 2 2 13 VAL CB C -5.511 -11.085 -3.303 1.00 . B A . 13 VAL CB 1 1 11 8889 2 2 13 VAL CG1 C -6.689 -12.024 -3.465 1.00 . B A . 13 VAL CG1 1 1 11 8890 2 2 13 VAL CG2 C -5.828 -9.767 -4.015 1.00 . B A . 13 VAL CG2 1 1 11 8891 2 2 13 VAL H H -6.671 -9.438 -1.445 1.00 . B A . 13 VAL H 1 1 11 8892 2 2 13 VAL HA H -5.098 -11.880 -1.335 1.00 . B A . 13 VAL HA 1 1 11 8893 2 2 13 VAL HB H -4.623 -11.511 -3.741 1.00 . B A . 13 VAL HB 1 1 11 8894 2 2 13 VAL HG11 H -7.539 -11.600 -2.948 1.00 . B A . 13 VAL HG11 1 1 11 8895 2 2 13 VAL HG12 H -6.447 -12.982 -3.030 1.00 . B A . 13 VAL HG12 1 1 11 8896 2 2 13 VAL HG13 H -6.924 -12.142 -4.512 1.00 . B A . 13 VAL HG13 1 1 11 8897 2 2 13 VAL HG21 H -4.976 -9.107 -3.949 1.00 . B A . 13 VAL HG21 1 1 11 8898 2 2 13 VAL HG22 H -6.682 -9.301 -3.545 1.00 . B A . 13 VAL HG22 1 1 11 8899 2 2 13 VAL HG23 H -6.053 -9.964 -5.052 1.00 . B A . 13 VAL HG23 1 1 11 8900 2 2 13 VAL N N -6.255 -10.243 -1.064 1.00 . B A . 13 VAL N 1 1 11 8901 2 2 13 VAL O O -2.860 -10.813 -1.165 1.00 . B A . 13 VAL O 1 1 11 8902 2 2 14 GLY C C -2.496 -7.225 -2.769 1.00 . B A . 14 GLY C 1 1 11 8903 2 2 14 GLY CA C -2.693 -8.121 -1.596 1.00 . B A . 14 GLY CA 1 1 11 8904 2 2 14 GLY H H -4.680 -8.522 -2.130 1.00 . B A . 14 GLY H 1 1 11 8905 2 2 14 GLY HA2 H -2.813 -7.518 -0.708 1.00 . B A . 14 GLY HA2 1 1 11 8906 2 2 14 GLY HA3 H -1.816 -8.723 -1.453 1.00 . B A . 14 GLY HA3 1 1 11 8907 2 2 14 GLY N N -3.857 -8.926 -1.780 1.00 . B A . 14 GLY N 1 1 11 8908 2 2 14 GLY O O -3.286 -7.270 -3.723 1.00 . B A . 14 GLY O 1 1 11 8909 2 2 15 CYS C C 0.181 -5.033 -3.707 1.00 . B A . 15 CYS C 1 1 11 8910 2 2 15 CYS CA C -1.246 -5.459 -3.763 1.00 . B A . 15 CYS CA 1 1 11 8911 2 2 15 CYS CB C -2.117 -4.234 -3.595 1.00 . B A . 15 CYS CB 1 1 11 8912 2 2 15 CYS H H -0.895 -6.408 -1.943 1.00 . B A . 15 CYS H 1 1 11 8913 2 2 15 CYS HA H -1.460 -5.914 -4.718 1.00 . B A . 15 CYS HA 1 1 11 8914 2 2 15 CYS HB2 H -1.969 -3.590 -4.449 1.00 . B A . 15 CYS HB2 1 1 11 8915 2 2 15 CYS HB3 H -3.149 -4.538 -3.559 1.00 . B A . 15 CYS HB3 1 1 11 8916 2 2 15 CYS N N -1.497 -6.414 -2.721 1.00 . B A . 15 CYS N 1 1 11 8917 2 2 15 CYS O O 0.893 -5.327 -2.725 1.00 . B A . 15 CYS O 1 1 11 8918 2 2 15 CYS SG S -1.736 -3.266 -2.100 1.00 . B A . 15 CYS SG 1 1 11 8919 2 2 16 THR C C 2.055 -2.690 -3.867 1.00 . B A . 16 THR C 1 1 11 8920 2 2 16 THR CA C 1.932 -3.898 -4.785 1.00 . B A . 16 THR CA 1 1 11 8921 2 2 16 THR CB C 2.406 -3.568 -6.218 1.00 . B A . 16 THR CB 1 1 11 8922 2 2 16 THR CG2 C 2.572 -4.837 -7.047 1.00 . B A . 16 THR CG2 1 1 11 8923 2 2 16 THR H H 0.033 -4.231 -5.508 1.00 . B A . 16 THR H 1 1 11 8924 2 2 16 THR HA H 2.562 -4.673 -4.391 1.00 . B A . 16 THR HA 1 1 11 8925 2 2 16 THR HB H 3.361 -3.068 -6.153 1.00 . B A . 16 THR HB 1 1 11 8926 2 2 16 THR HG1 H 0.855 -3.209 -7.383 1.00 . B A . 16 THR HG1 1 1 11 8927 2 2 16 THR HG21 H 1.630 -5.361 -7.097 1.00 . B A . 16 THR HG21 1 1 11 8928 2 2 16 THR HG22 H 3.312 -5.474 -6.584 1.00 . B A . 16 THR HG22 1 1 11 8929 2 2 16 THR HG23 H 2.894 -4.578 -8.044 1.00 . B A . 16 THR HG23 1 1 11 8930 2 2 16 THR N N 0.628 -4.398 -4.749 1.00 . B A . 16 THR N 1 1 11 8931 2 2 16 THR O O 1.129 -1.906 -3.696 1.00 . B A . 16 THR O 1 1 11 8932 2 2 16 THR OG1 O 1.479 -2.698 -6.851 1.00 . B A . 16 THR OG1 1 1 11 8933 2 2 17 LYS C C 3.457 -0.158 -3.157 1.00 . B A . 17 LYS C 1 1 11 8934 2 2 17 LYS CA C 3.463 -1.456 -2.357 1.00 . B A . 17 LYS CA 1 1 11 8935 2 2 17 LYS CB C 4.825 -1.736 -1.784 1.00 . B A . 17 LYS CB 1 1 11 8936 2 2 17 LYS CD C 4.391 -1.894 0.664 1.00 . B A . 17 LYS CD 1 1 11 8937 2 2 17 LYS CE C 5.020 -1.668 2.029 1.00 . B A . 17 LYS CE 1 1 11 8938 2 2 17 LYS CG C 5.182 -1.200 -0.429 1.00 . B A . 17 LYS CG 1 1 11 8939 2 2 17 LYS H H 3.809 -3.290 -3.447 1.00 . B A . 17 LYS H 1 1 11 8940 2 2 17 LYS HA H 2.720 -1.348 -1.579 1.00 . B A . 17 LYS HA 1 1 11 8941 2 2 17 LYS HB2 H 4.817 -2.805 -1.667 1.00 . B A . 17 LYS HB2 1 1 11 8942 2 2 17 LYS HB3 H 5.606 -1.495 -2.487 1.00 . B A . 17 LYS HB3 1 1 11 8943 2 2 17 LYS HD2 H 3.384 -1.507 0.675 1.00 . B A . 17 LYS HD2 1 1 11 8944 2 2 17 LYS HD3 H 4.366 -2.956 0.463 1.00 . B A . 17 LYS HD3 1 1 11 8945 2 2 17 LYS HE2 H 5.029 -0.609 2.239 1.00 . B A . 17 LYS HE2 1 1 11 8946 2 2 17 LYS HE3 H 4.431 -2.178 2.777 1.00 . B A . 17 LYS HE3 1 1 11 8947 2 2 17 LYS HG2 H 6.228 -1.423 -0.274 1.00 . B A . 17 LYS HG2 1 1 11 8948 2 2 17 LYS HG3 H 5.010 -0.135 -0.396 1.00 . B A . 17 LYS HG3 1 1 11 8949 2 2 17 LYS HZ1 H 6.521 -3.149 1.689 1.00 . B A . 17 LYS HZ1 1 1 11 8950 2 2 17 LYS HZ2 H 6.778 -2.196 3.049 1.00 . B A . 17 LYS HZ2 1 1 11 8951 2 2 17 LYS HZ3 H 7.069 -1.569 1.558 1.00 . B A . 17 LYS HZ3 1 1 11 8952 2 2 17 LYS N N 3.169 -2.564 -3.275 1.00 . B A . 17 LYS N 1 1 11 8953 2 2 17 LYS NZ N 6.411 -2.181 2.075 1.00 . B A . 17 LYS NZ 1 1 11 8954 2 2 17 LYS O O 3.071 0.889 -2.662 1.00 . B A . 17 LYS O 1 1 11 8955 2 2 18 ARG C C 2.366 1.208 -5.716 1.00 . B A . 18 ARG C 1 1 11 8956 2 2 18 ARG CA C 3.803 0.838 -5.341 1.00 . B A . 18 ARG CA 1 1 11 8957 2 2 18 ARG CB C 4.614 0.512 -6.583 1.00 . B A . 18 ARG CB 1 1 11 8958 2 2 18 ARG CD C 6.868 -0.011 -7.576 1.00 . B A . 18 ARG CD 1 1 11 8959 2 2 18 ARG CG C 6.121 0.539 -6.367 1.00 . B A . 18 ARG CG 1 1 11 8960 2 2 18 ARG CZ C 5.954 -2.147 -8.544 1.00 . B A . 18 ARG CZ 1 1 11 8961 2 2 18 ARG H H 4.140 -1.145 -4.732 1.00 . B A . 18 ARG H 1 1 11 8962 2 2 18 ARG HA H 4.257 1.682 -4.843 1.00 . B A . 18 ARG HA 1 1 11 8963 2 2 18 ARG HB2 H 4.341 -0.475 -6.926 1.00 . B A . 18 ARG HB2 1 1 11 8964 2 2 18 ARG HB3 H 4.365 1.231 -7.348 1.00 . B A . 18 ARG HB3 1 1 11 8965 2 2 18 ARG HD2 H 6.477 0.447 -8.471 1.00 . B A . 18 ARG HD2 1 1 11 8966 2 2 18 ARG HD3 H 7.914 0.237 -7.478 1.00 . B A . 18 ARG HD3 1 1 11 8967 2 2 18 ARG HE H 7.315 -1.991 -7.072 1.00 . B A . 18 ARG HE 1 1 11 8968 2 2 18 ARG HG2 H 6.434 1.559 -6.196 1.00 . B A . 18 ARG HG2 1 1 11 8969 2 2 18 ARG HG3 H 6.361 -0.061 -5.502 1.00 . B A . 18 ARG HG3 1 1 11 8970 2 2 18 ARG HH11 H 5.105 -0.498 -9.391 1.00 . B A . 18 ARG HH11 1 1 11 8971 2 2 18 ARG HH12 H 4.540 -1.982 -9.996 1.00 . B A . 18 ARG HH12 1 1 11 8972 2 2 18 ARG HH21 H 6.584 -3.989 -7.945 1.00 . B A . 18 ARG HH21 1 1 11 8973 2 2 18 ARG HH22 H 5.435 -4.014 -9.199 1.00 . B A . 18 ARG HH22 1 1 11 8974 2 2 18 ARG N N 3.831 -0.271 -4.416 1.00 . B A . 18 ARG N 1 1 11 8975 2 2 18 ARG NE N 6.736 -1.477 -7.683 1.00 . B A . 18 ARG NE 1 1 11 8976 2 2 18 ARG NH1 N 5.155 -1.499 -9.367 1.00 . B A . 18 ARG NH1 1 1 11 8977 2 2 18 ARG NH2 N 5.984 -3.465 -8.563 1.00 . B A . 18 ARG NH2 1 1 11 8978 2 2 18 ARG O O 2.095 2.335 -6.126 1.00 . B A . 18 ARG O 1 1 11 8979 2 2 19 SER C C -0.489 1.443 -4.750 1.00 . B A . 19 SER C 1 1 11 8980 2 2 19 SER CA C 0.067 0.541 -5.850 1.00 . B A . 19 SER CA 1 1 11 8981 2 2 19 SER CB C -0.748 -0.770 -5.994 1.00 . B A . 19 SER CB 1 1 11 8982 2 2 19 SER H H 1.689 -0.597 -5.170 1.00 . B A . 19 SER H 1 1 11 8983 2 2 19 SER HA H 0.053 1.089 -6.781 1.00 . B A . 19 SER HA 1 1 11 8984 2 2 19 SER HB2 H -1.638 -0.621 -6.583 1.00 . B A . 19 SER HB2 1 1 11 8985 2 2 19 SER HB3 H -0.100 -1.506 -6.458 1.00 . B A . 19 SER HB3 1 1 11 8986 2 2 19 SER HG H -0.346 -1.698 -4.317 1.00 . B A . 19 SER HG 1 1 11 8987 2 2 19 SER N N 1.442 0.277 -5.535 1.00 . B A . 19 SER N 1 1 11 8988 2 2 19 SER O O -1.142 2.438 -5.019 1.00 . B A . 19 SER O 1 1 11 8989 2 2 19 SER OG O -1.119 -1.314 -4.752 1.00 . B A . 19 SER OG 1 1 11 8990 2 2 20 LEU C C 0.105 3.282 -2.490 1.00 . B A . 20 LEU C 1 1 11 8991 2 2 20 LEU CA C -0.535 1.943 -2.342 1.00 . B A . 20 LEU CA 1 1 11 8992 2 2 20 LEU CB C -0.055 1.364 -1.014 1.00 . B A . 20 LEU CB 1 1 11 8993 2 2 20 LEU CD1 C 0.667 -0.529 0.419 1.00 . B A . 20 LEU CD1 1 1 11 8994 2 2 20 LEU CD2 C -1.626 -0.463 -0.438 1.00 . B A . 20 LEU CD2 1 1 11 8995 2 2 20 LEU CG C -0.201 -0.130 -0.759 1.00 . B A . 20 LEU CG 1 1 11 8996 2 2 20 LEU H H 0.357 0.282 -3.369 1.00 . B A . 20 LEU H 1 1 11 8997 2 2 20 LEU HA H -1.587 2.145 -2.312 1.00 . B A . 20 LEU HA 1 1 11 8998 2 2 20 LEU HB2 H 0.948 1.688 -0.817 1.00 . B A . 20 LEU HB2 1 1 11 8999 2 2 20 LEU HB3 H -0.673 1.853 -0.277 1.00 . B A . 20 LEU HB3 1 1 11 9000 2 2 20 LEU HD11 H 1.697 -0.283 0.206 1.00 . B A . 20 LEU HD11 1 1 11 9001 2 2 20 LEU HD12 H 0.579 -1.593 0.589 1.00 . B A . 20 LEU HD12 1 1 11 9002 2 2 20 LEU HD13 H 0.346 0.003 1.302 1.00 . B A . 20 LEU HD13 1 1 11 9003 2 2 20 LEU HD21 H -1.949 0.083 0.434 1.00 . B A . 20 LEU HD21 1 1 11 9004 2 2 20 LEU HD22 H -1.663 -1.524 -0.241 1.00 . B A . 20 LEU HD22 1 1 11 9005 2 2 20 LEU HD23 H -2.246 -0.236 -1.290 1.00 . B A . 20 LEU HD23 1 1 11 9006 2 2 20 LEU HG H 0.101 -0.692 -1.631 1.00 . B A . 20 LEU HG 1 1 11 9007 2 2 20 LEU N N -0.141 1.118 -3.495 1.00 . B A . 20 LEU N 1 1 11 9008 2 2 20 LEU O O -0.512 4.320 -2.221 1.00 . B A . 20 LEU O 1 1 11 9009 2 2 21 ALA C C 1.474 5.428 -4.089 1.00 . B A . 21 ALA C 1 1 11 9010 2 2 21 ALA CA C 2.145 4.427 -3.145 1.00 . B A . 21 ALA CA 1 1 11 9011 2 2 21 ALA CB C 3.503 4.045 -3.676 1.00 . B A . 21 ALA CB 1 1 11 9012 2 2 21 ALA H H 1.701 2.332 -3.072 1.00 . B A . 21 ALA H 1 1 11 9013 2 2 21 ALA HA H 2.287 4.904 -2.187 1.00 . B A . 21 ALA HA 1 1 11 9014 2 2 21 ALA HB1 H 4.152 4.907 -3.676 1.00 . B A . 21 ALA HB1 1 1 11 9015 2 2 21 ALA HB2 H 3.390 3.684 -4.687 1.00 . B A . 21 ALA HB2 1 1 11 9016 2 2 21 ALA HB3 H 3.926 3.263 -3.065 1.00 . B A . 21 ALA HB3 1 1 11 9017 2 2 21 ALA N N 1.337 3.239 -2.925 1.00 . B A . 21 ALA N 1 1 11 9018 2 2 21 ALA O O 1.527 6.632 -3.856 1.00 . B A . 21 ALA O 1 1 11 9019 2 2 22 ARG C C -1.254 6.220 -5.704 1.00 . B A . 22 ARG C 1 1 11 9020 2 2 22 ARG CA C 0.166 5.828 -6.092 1.00 . B A . 22 ARG CA 1 1 11 9021 2 2 22 ARG CB C 0.220 5.286 -7.532 1.00 . B A . 22 ARG CB 1 1 11 9022 2 2 22 ARG CD C -0.460 3.585 -9.227 1.00 . B A . 22 ARG CD 1 1 11 9023 2 2 22 ARG CG C -0.402 3.922 -7.747 1.00 . B A . 22 ARG CG 1 1 11 9024 2 2 22 ARG CZ C -1.272 4.886 -11.219 1.00 . B A . 22 ARG CZ 1 1 11 9025 2 2 22 ARG H H 0.706 3.955 -5.200 1.00 . B A . 22 ARG H 1 1 11 9026 2 2 22 ARG HA H 0.749 6.736 -6.051 1.00 . B A . 22 ARG HA 1 1 11 9027 2 2 22 ARG HB2 H -0.294 5.982 -8.177 1.00 . B A . 22 ARG HB2 1 1 11 9028 2 2 22 ARG HB3 H 1.254 5.239 -7.841 1.00 . B A . 22 ARG HB3 1 1 11 9029 2 2 22 ARG HD2 H 0.528 3.691 -9.646 1.00 . B A . 22 ARG HD2 1 1 11 9030 2 2 22 ARG HD3 H -0.798 2.566 -9.342 1.00 . B A . 22 ARG HD3 1 1 11 9031 2 2 22 ARG HE H -2.176 4.770 -9.427 1.00 . B A . 22 ARG HE 1 1 11 9032 2 2 22 ARG HG2 H 0.196 3.182 -7.236 1.00 . B A . 22 ARG HG2 1 1 11 9033 2 2 22 ARG HG3 H -1.404 3.923 -7.342 1.00 . B A . 22 ARG HG3 1 1 11 9034 2 2 22 ARG HH11 H 0.545 4.010 -11.567 1.00 . B A . 22 ARG HH11 1 1 11 9035 2 2 22 ARG HH12 H -0.094 4.841 -12.893 1.00 . B A . 22 ARG HH12 1 1 11 9036 2 2 22 ARG HH21 H -3.044 5.879 -11.225 1.00 . B A . 22 ARG HH21 1 1 11 9037 2 2 22 ARG HH22 H -2.191 5.936 -12.716 1.00 . B A . 22 ARG HH22 1 1 11 9038 2 2 22 ARG N N 0.791 4.932 -5.114 1.00 . B A . 22 ARG N 1 1 11 9039 2 2 22 ARG NE N -1.390 4.481 -9.944 1.00 . B A . 22 ARG NE 1 1 11 9040 2 2 22 ARG NH1 N -0.207 4.561 -11.936 1.00 . B A . 22 ARG NH1 1 1 11 9041 2 2 22 ARG NH2 N -2.234 5.623 -11.762 1.00 . B A . 22 ARG NH2 1 1 11 9042 2 2 22 ARG O O -1.981 6.837 -6.495 1.00 . B A . 22 ARG O 1 1 11 9043 2 2 23 PHE C C -2.799 7.090 -2.734 1.00 . B A . 23 PHE C 1 1 11 9044 2 2 23 PHE CA C -2.937 6.274 -3.994 1.00 . B A . 23 PHE CA 1 1 11 9045 2 2 23 PHE CB C -3.893 5.087 -3.820 1.00 . B A . 23 PHE CB 1 1 11 9046 2 2 23 PHE CD1 C -5.431 5.168 -5.796 1.00 . B A . 23 PHE CD1 1 1 11 9047 2 2 23 PHE CD2 C -3.848 3.405 -5.687 1.00 . B A . 23 PHE CD2 1 1 11 9048 2 2 23 PHE CE1 C -5.896 4.676 -6.995 1.00 . B A . 23 PHE CE1 1 1 11 9049 2 2 23 PHE CE2 C -4.306 2.906 -6.886 1.00 . B A . 23 PHE CE2 1 1 11 9050 2 2 23 PHE CG C -4.401 4.536 -5.127 1.00 . B A . 23 PHE CG 1 1 11 9051 2 2 23 PHE CZ C -5.332 3.543 -7.542 1.00 . B A . 23 PHE CZ 1 1 11 9052 2 2 23 PHE H H -1.033 5.348 -3.947 1.00 . B A . 23 PHE H 1 1 11 9053 2 2 23 PHE HA H -3.347 6.942 -4.730 1.00 . B A . 23 PHE HA 1 1 11 9054 2 2 23 PHE HB2 H -3.379 4.291 -3.301 1.00 . B A . 23 PHE HB2 1 1 11 9055 2 2 23 PHE HB3 H -4.745 5.398 -3.235 1.00 . B A . 23 PHE HB3 1 1 11 9056 2 2 23 PHE HD1 H -5.873 6.056 -5.369 1.00 . B A . 23 PHE HD1 1 1 11 9057 2 2 23 PHE HD2 H -3.041 2.904 -5.174 1.00 . B A . 23 PHE HD2 1 1 11 9058 2 2 23 PHE HE1 H -6.701 5.178 -7.511 1.00 . B A . 23 PHE HE1 1 1 11 9059 2 2 23 PHE HE2 H -3.861 2.018 -7.309 1.00 . B A . 23 PHE HE2 1 1 11 9060 2 2 23 PHE HZ H -5.695 3.155 -8.482 1.00 . B A . 23 PHE HZ 1 1 11 9061 2 2 23 PHE N N -1.645 5.877 -4.502 1.00 . B A . 23 PHE N 1 1 11 9062 2 2 23 PHE O O -3.319 8.199 -2.651 1.00 . B A . 23 PHE O 1 1 11 9063 2 2 24 CYS C C -3.114 7.531 0.269 1.00 . B A . 24 CYS C 1 1 11 9064 2 2 24 CYS CA C -1.803 7.212 -0.491 1.00 . B A . 24 CYS CA 1 1 11 9065 2 2 24 CYS CB C -0.951 8.497 -0.731 1.00 . B A . 24 CYS CB 1 1 11 9066 2 2 24 CYS H H -1.710 5.650 -1.966 1.00 . B A . 24 CYS H 1 1 11 9067 2 2 24 CYS HA H -1.229 6.521 0.109 1.00 . B A . 24 CYS HA 1 1 11 9068 2 2 24 CYS HB2 H -0.022 8.212 -1.201 1.00 . B A . 24 CYS HB2 1 1 11 9069 2 2 24 CYS HB3 H -1.492 9.145 -1.405 1.00 . B A . 24 CYS HB3 1 1 11 9070 2 2 24 CYS N N -2.078 6.544 -1.776 1.00 . B A . 24 CYS N 1 1 11 9071 2 2 24 CYS O O -3.599 8.663 0.262 1.00 . B A . 24 CYS O 1 1 11 9072 2 2 24 CYS SG S -0.517 9.471 0.760 1.00 . B A . 24 CYS SG 1 1 11 9073 2 2 25 NH2 HN1 H -3.254 5.656 0.898 1.00 . B A . 25 NH2 HN1 1 1 11 9074 2 2 25 NH2 HN2 H -4.506 6.726 1.409 1.00 . B A . 25 NH2 HN2 1 1 11 9075 2 2 25 NH2 N N -3.677 6.539 0.921 1.00 . B A . 25 NH2 N 1 1 12 9076 1 1 1 ASP C C 11.652 -1.428 -0.636 1.00 . A B . 1 ASP C 1 1 12 9077 1 1 1 ASP CA C 11.423 -1.444 0.863 1.00 . A B . 1 ASP CA 1 1 12 9078 1 1 1 ASP CB C 12.588 -2.112 1.585 1.00 . A B . 1 ASP CB 1 1 12 9079 1 1 1 ASP CG C 12.456 -2.034 3.082 1.00 . A B . 1 ASP CG 1 1 12 9080 1 1 1 ASP H1 H 9.941 -2.016 2.206 1.00 . A B . 1 ASP H1 1 1 12 9081 1 1 1 ASP H2 H 10.217 -3.108 0.975 1.00 . A B . 1 ASP H2 1 1 12 9082 1 1 1 ASP H3 H 9.375 -1.700 0.644 1.00 . A B . 1 ASP H3 1 1 12 9083 1 1 1 ASP HA H 11.350 -0.420 1.182 1.00 . A B . 1 ASP HA 1 1 12 9084 1 1 1 ASP HB2 H 12.634 -3.152 1.303 1.00 . A B . 1 ASP HB2 1 1 12 9085 1 1 1 ASP HB3 H 13.507 -1.622 1.297 1.00 . A B . 1 ASP HB3 1 1 12 9086 1 1 1 ASP N N 10.169 -2.096 1.195 1.00 . A B . 1 ASP N 1 1 12 9087 1 1 1 ASP O O 11.948 -0.381 -1.210 1.00 . A B . 1 ASP O 1 1 12 9088 1 1 1 ASP OD1 O 11.855 -2.942 3.687 1.00 . A B . 1 ASP OD1 1 1 12 9089 1 1 1 ASP OD2 O 12.949 -1.064 3.678 1.00 . A B . 1 ASP OD2 1 1 12 9090 1 1 2 SER C C 10.368 -2.378 -3.413 1.00 . A B . 2 SER C 1 1 12 9091 1 1 2 SER CA C 11.675 -2.660 -2.711 1.00 . A B . 2 SER CA 1 1 12 9092 1 1 2 SER CB C 12.249 -4.000 -3.098 1.00 . A B . 2 SER CB 1 1 12 9093 1 1 2 SER H H 11.323 -3.383 -0.766 1.00 . A B . 2 SER H 1 1 12 9094 1 1 2 SER HA H 12.374 -1.887 -2.994 1.00 . A B . 2 SER HA 1 1 12 9095 1 1 2 SER HB2 H 12.166 -4.117 -4.169 1.00 . A B . 2 SER HB2 1 1 12 9096 1 1 2 SER HB3 H 13.285 -3.986 -2.803 1.00 . A B . 2 SER HB3 1 1 12 9097 1 1 2 SER HG H 10.615 -4.874 -2.505 1.00 . A B . 2 SER HG 1 1 12 9098 1 1 2 SER N N 11.522 -2.568 -1.271 1.00 . A B . 2 SER N 1 1 12 9099 1 1 2 SER O O 9.509 -3.255 -3.555 1.00 . A B . 2 SER O 1 1 12 9100 1 1 2 SER OG O 11.560 -5.065 -2.444 1.00 . A B . 2 SER OG 1 1 12 9101 1 1 3 TRP C C 8.432 -1.394 -5.579 1.00 . A B . 3 TRP C 1 1 12 9102 1 1 3 TRP CA C 9.009 -0.614 -4.408 1.00 . A B . 3 TRP CA 1 1 12 9103 1 1 3 TRP CB C 9.202 0.840 -4.807 1.00 . A B . 3 TRP CB 1 1 12 9104 1 1 3 TRP CD1 C 10.864 2.390 -3.677 1.00 . A B . 3 TRP CD1 1 1 12 9105 1 1 3 TRP CD2 C 9.084 1.911 -2.430 1.00 . A B . 3 TRP CD2 1 1 12 9106 1 1 3 TRP CE2 C 9.918 2.774 -1.704 1.00 . A B . 3 TRP CE2 1 1 12 9107 1 1 3 TRP CE3 C 7.902 1.468 -1.847 1.00 . A B . 3 TRP CE3 1 1 12 9108 1 1 3 TRP CG C 9.705 1.694 -3.697 1.00 . A B . 3 TRP CG 1 1 12 9109 1 1 3 TRP CH2 C 8.446 2.749 0.126 1.00 . A B . 3 TRP CH2 1 1 12 9110 1 1 3 TRP CZ2 C 9.609 3.203 -0.420 1.00 . A B . 3 TRP CZ2 1 1 12 9111 1 1 3 TRP CZ3 C 7.596 1.886 -0.580 1.00 . A B . 3 TRP CZ3 1 1 12 9112 1 1 3 TRP H H 11.065 -0.627 -3.795 1.00 . A B . 3 TRP H 1 1 12 9113 1 1 3 TRP HA H 8.281 -0.633 -3.611 1.00 . A B . 3 TRP HA 1 1 12 9114 1 1 3 TRP HB2 H 9.914 0.894 -5.617 1.00 . A B . 3 TRP HB2 1 1 12 9115 1 1 3 TRP HB3 H 8.256 1.245 -5.137 1.00 . A B . 3 TRP HB3 1 1 12 9116 1 1 3 TRP HD1 H 11.558 2.414 -4.502 1.00 . A B . 3 TRP HD1 1 1 12 9117 1 1 3 TRP HE1 H 11.743 3.646 -2.237 1.00 . A B . 3 TRP HE1 1 1 12 9118 1 1 3 TRP HE3 H 7.232 0.804 -2.373 1.00 . A B . 3 TRP HE3 1 1 12 9119 1 1 3 TRP HH2 H 8.172 3.058 1.122 1.00 . A B . 3 TRP HH2 1 1 12 9120 1 1 3 TRP HZ2 H 10.255 3.868 0.133 1.00 . A B . 3 TRP HZ2 1 1 12 9121 1 1 3 TRP HZ3 H 6.680 1.532 -0.131 1.00 . A B . 3 TRP HZ3 1 1 12 9122 1 1 3 TRP N N 10.250 -1.170 -3.857 1.00 . A B . 3 TRP N 1 1 12 9123 1 1 3 TRP NE1 N 10.993 3.055 -2.490 1.00 . A B . 3 TRP NE1 1 1 12 9124 1 1 3 TRP O O 7.237 -1.670 -5.610 1.00 . A B . 3 TRP O 1 1 12 9125 1 1 4 MET C C 8.421 -3.898 -7.492 1.00 . A B . 4 MET C 1 1 12 9126 1 1 4 MET CA C 8.808 -2.445 -7.726 1.00 . A B . 4 MET CA 1 1 12 9127 1 1 4 MET CB C 9.855 -2.360 -8.852 1.00 . A B . 4 MET CB 1 1 12 9128 1 1 4 MET CE C 12.829 -1.560 -9.894 1.00 . A B . 4 MET CE 1 1 12 9129 1 1 4 MET CG C 10.151 -0.946 -9.344 1.00 . A B . 4 MET CG 1 1 12 9130 1 1 4 MET H H 10.235 -1.641 -6.364 1.00 . A B . 4 MET H 1 1 12 9131 1 1 4 MET HA H 7.924 -1.914 -8.050 1.00 . A B . 4 MET HA 1 1 12 9132 1 1 4 MET HB2 H 10.778 -2.791 -8.494 1.00 . A B . 4 MET HB2 1 1 12 9133 1 1 4 MET HB3 H 9.506 -2.944 -9.690 1.00 . A B . 4 MET HB3 1 1 12 9134 1 1 4 MET HE1 H 12.633 -2.566 -9.556 1.00 . A B . 4 MET HE1 1 1 12 9135 1 1 4 MET HE2 H 13.090 -0.938 -9.050 1.00 . A B . 4 MET HE2 1 1 12 9136 1 1 4 MET HE3 H 13.648 -1.573 -10.597 1.00 . A B . 4 MET HE3 1 1 12 9137 1 1 4 MET HG2 H 9.231 -0.503 -9.695 1.00 . A B . 4 MET HG2 1 1 12 9138 1 1 4 MET HG3 H 10.533 -0.366 -8.517 1.00 . A B . 4 MET HG3 1 1 12 9139 1 1 4 MET N N 9.274 -1.788 -6.506 1.00 . A B . 4 MET N 1 1 12 9140 1 1 4 MET O O 7.853 -4.541 -8.377 1.00 . A B . 4 MET O 1 1 12 9141 1 1 4 MET SD S 11.364 -0.900 -10.697 1.00 . A B . 4 MET SD 1 1 12 9142 1 1 5 GLU C C 7.433 -6.014 -4.919 1.00 . A B . 5 GLU C 1 1 12 9143 1 1 5 GLU CA C 8.450 -5.813 -6.037 1.00 . A B . 5 GLU CA 1 1 12 9144 1 1 5 GLU CB C 9.748 -6.538 -5.714 1.00 . A B . 5 GLU CB 1 1 12 9145 1 1 5 GLU CD C 12.003 -7.253 -6.547 1.00 . A B . 5 GLU CD 1 1 12 9146 1 1 5 GLU CG C 10.719 -6.564 -6.876 1.00 . A B . 5 GLU CG 1 1 12 9147 1 1 5 GLU H H 9.121 -3.843 -5.636 1.00 . A B . 5 GLU H 1 1 12 9148 1 1 5 GLU HA H 8.046 -6.249 -6.939 1.00 . A B . 5 GLU HA 1 1 12 9149 1 1 5 GLU HB2 H 10.224 -6.044 -4.880 1.00 . A B . 5 GLU HB2 1 1 12 9150 1 1 5 GLU HB3 H 9.518 -7.556 -5.438 1.00 . A B . 5 GLU HB3 1 1 12 9151 1 1 5 GLU HG2 H 10.256 -7.087 -7.699 1.00 . A B . 5 GLU HG2 1 1 12 9152 1 1 5 GLU HG3 H 10.930 -5.548 -7.171 1.00 . A B . 5 GLU HG3 1 1 12 9153 1 1 5 GLU N N 8.717 -4.416 -6.321 1.00 . A B . 5 GLU N 1 1 12 9154 1 1 5 GLU O O 6.818 -7.088 -4.826 1.00 . A B . 5 GLU O 1 1 12 9155 1 1 5 GLU OE1 O 12.015 -8.497 -6.448 1.00 . A B . 5 GLU OE1 1 1 12 9156 1 1 5 GLU OE2 O 13.026 -6.580 -6.385 1.00 . A B . 5 GLU OE2 1 1 12 9157 1 1 6 GLU C C 4.912 -5.278 -3.308 1.00 . A B . 6 GLU C 1 1 12 9158 1 1 6 GLU CA C 6.362 -5.083 -2.963 1.00 . A B . 6 GLU CA 1 1 12 9159 1 1 6 GLU CB C 6.487 -3.910 -2.031 1.00 . A B . 6 GLU CB 1 1 12 9160 1 1 6 GLU CD C 7.564 -2.861 -0.083 1.00 . A B . 6 GLU CD 1 1 12 9161 1 1 6 GLU CG C 7.669 -3.935 -1.117 1.00 . A B . 6 GLU CG 1 1 12 9162 1 1 6 GLU H H 7.720 -4.159 -4.234 1.00 . A B . 6 GLU H 1 1 12 9163 1 1 6 GLU HA H 6.676 -5.956 -2.411 1.00 . A B . 6 GLU HA 1 1 12 9164 1 1 6 GLU HB2 H 6.566 -3.018 -2.634 1.00 . A B . 6 GLU HB2 1 1 12 9165 1 1 6 GLU HB3 H 5.590 -3.834 -1.436 1.00 . A B . 6 GLU HB3 1 1 12 9166 1 1 6 GLU HG2 H 7.713 -4.895 -0.623 1.00 . A B . 6 GLU HG2 1 1 12 9167 1 1 6 GLU HG3 H 8.569 -3.777 -1.694 1.00 . A B . 6 GLU HG3 1 1 12 9168 1 1 6 GLU N N 7.247 -5.001 -4.094 1.00 . A B . 6 GLU N 1 1 12 9169 1 1 6 GLU O O 4.268 -4.447 -3.959 1.00 . A B . 6 GLU O 1 1 12 9170 1 1 6 GLU OE1 O 6.992 -3.108 0.998 1.00 . A B . 6 GLU OE1 1 1 12 9171 1 1 6 GLU OE2 O 8.060 -1.743 -0.301 1.00 . A B . 6 GLU OE2 1 1 12 9172 1 1 7 VAL C C 2.718 -7.214 -1.468 1.00 . A B . 7 VAL C 1 1 12 9173 1 1 7 VAL CA C 3.054 -6.733 -2.863 1.00 . A B . 7 VAL CA 1 1 12 9174 1 1 7 VAL CB C 2.733 -7.798 -3.974 1.00 . A B . 7 VAL CB 1 1 12 9175 1 1 7 VAL CG1 C 3.656 -9.005 -3.899 1.00 . A B . 7 VAL CG1 1 1 12 9176 1 1 7 VAL CG2 C 1.269 -8.235 -3.909 1.00 . A B . 7 VAL CG2 1 1 12 9177 1 1 7 VAL H H 5.083 -6.931 -2.378 1.00 . A B . 7 VAL H 1 1 12 9178 1 1 7 VAL HA H 2.482 -5.831 -3.026 1.00 . A B . 7 VAL HA 1 1 12 9179 1 1 7 VAL HB H 2.898 -7.325 -4.931 1.00 . A B . 7 VAL HB 1 1 12 9180 1 1 7 VAL HG11 H 4.680 -8.678 -4.003 1.00 . A B . 7 VAL HG11 1 1 12 9181 1 1 7 VAL HG12 H 3.417 -9.686 -4.701 1.00 . A B . 7 VAL HG12 1 1 12 9182 1 1 7 VAL HG13 H 3.528 -9.499 -2.947 1.00 . A B . 7 VAL HG13 1 1 12 9183 1 1 7 VAL HG21 H 1.057 -8.662 -2.940 1.00 . A B . 7 VAL HG21 1 1 12 9184 1 1 7 VAL HG22 H 1.072 -8.968 -4.677 1.00 . A B . 7 VAL HG22 1 1 12 9185 1 1 7 VAL HG23 H 0.629 -7.377 -4.059 1.00 . A B . 7 VAL HG23 1 1 12 9186 1 1 7 VAL N N 4.433 -6.352 -2.826 1.00 . A B . 7 VAL N 1 1 12 9187 1 1 7 VAL O O 3.206 -8.253 -1.006 1.00 . A B . 7 VAL O 1 1 12 9188 1 1 8 ILE C C 0.325 -6.932 1.008 1.00 . A B . 8 ILE C 1 1 12 9189 1 1 8 ILE CA C 1.752 -6.693 0.621 1.00 . A B . 8 ILE CA 1 1 12 9190 1 1 8 ILE CB C 2.483 -5.691 1.570 1.00 . A B . 8 ILE CB 1 1 12 9191 1 1 8 ILE CD1 C 1.179 -3.586 0.832 1.00 . A B . 8 ILE CD1 1 1 12 9192 1 1 8 ILE CG1 C 2.514 -4.262 1.011 1.00 . A B . 8 ILE CG1 1 1 12 9193 1 1 8 ILE CG2 C 3.898 -6.170 1.854 1.00 . A B . 8 ILE CG2 1 1 12 9194 1 1 8 ILE H H 1.488 -5.683 -1.192 1.00 . A B . 8 ILE H 1 1 12 9195 1 1 8 ILE HA H 2.233 -7.649 0.765 1.00 . A B . 8 ILE HA 1 1 12 9196 1 1 8 ILE HB H 1.949 -5.691 2.510 1.00 . A B . 8 ILE HB 1 1 12 9197 1 1 8 ILE HD11 H 0.718 -3.441 1.797 1.00 . A B . 8 ILE HD11 1 1 12 9198 1 1 8 ILE HD12 H 0.543 -4.192 0.206 1.00 . A B . 8 ILE HD12 1 1 12 9199 1 1 8 ILE HD13 H 1.333 -2.625 0.363 1.00 . A B . 8 ILE HD13 1 1 12 9200 1 1 8 ILE HG12 H 3.095 -3.654 1.686 1.00 . A B . 8 ILE HG12 1 1 12 9201 1 1 8 ILE HG13 H 3.003 -4.313 0.051 1.00 . A B . 8 ILE HG13 1 1 12 9202 1 1 8 ILE HG21 H 3.863 -7.125 2.355 1.00 . A B . 8 ILE HG21 1 1 12 9203 1 1 8 ILE HG22 H 4.403 -5.448 2.478 1.00 . A B . 8 ILE HG22 1 1 12 9204 1 1 8 ILE HG23 H 4.434 -6.273 0.922 1.00 . A B . 8 ILE HG23 1 1 12 9205 1 1 8 ILE N N 1.966 -6.433 -0.768 1.00 . A B . 8 ILE N 1 1 12 9206 1 1 8 ILE O O -0.601 -6.752 0.215 1.00 . A B . 8 ILE O 1 1 12 9207 1 1 9 LYS C C -1.360 -6.910 4.020 1.00 . A B . 9 LYS C 1 1 12 9208 1 1 9 LYS CA C -1.084 -7.751 2.785 1.00 . A B . 9 LYS CA 1 1 12 9209 1 1 9 LYS CB C -0.957 -9.215 3.188 1.00 . A B . 9 LYS CB 1 1 12 9210 1 1 9 LYS CD C -3.250 -10.016 2.582 1.00 . A B . 9 LYS CD 1 1 12 9211 1 1 9 LYS CE C -4.455 -10.791 3.062 1.00 . A B . 9 LYS CE 1 1 12 9212 1 1 9 LYS CG C -2.227 -9.868 3.685 1.00 . A B . 9 LYS CG 1 1 12 9213 1 1 9 LYS H H 0.961 -7.283 2.811 1.00 . A B . 9 LYS H 1 1 12 9214 1 1 9 LYS HA H -1.848 -7.651 2.026 1.00 . A B . 9 LYS HA 1 1 12 9215 1 1 9 LYS HB2 H -0.615 -9.770 2.328 1.00 . A B . 9 LYS HB2 1 1 12 9216 1 1 9 LYS HB3 H -0.210 -9.283 3.965 1.00 . A B . 9 LYS HB3 1 1 12 9217 1 1 9 LYS HD2 H -3.571 -9.034 2.266 1.00 . A B . 9 LYS HD2 1 1 12 9218 1 1 9 LYS HD3 H -2.803 -10.536 1.747 1.00 . A B . 9 LYS HD3 1 1 12 9219 1 1 9 LYS HE2 H -4.930 -10.237 3.859 1.00 . A B . 9 LYS HE2 1 1 12 9220 1 1 9 LYS HE3 H -5.149 -10.900 2.241 1.00 . A B . 9 LYS HE3 1 1 12 9221 1 1 9 LYS HG2 H -1.987 -10.848 4.069 1.00 . A B . 9 LYS HG2 1 1 12 9222 1 1 9 LYS HG3 H -2.644 -9.262 4.476 1.00 . A B . 9 LYS HG3 1 1 12 9223 1 1 9 LYS HZ1 H -4.938 -12.640 3.868 1.00 . A B . 9 LYS HZ1 1 1 12 9224 1 1 9 LYS HZ2 H -3.451 -12.070 4.384 1.00 . A B . 9 LYS HZ2 1 1 12 9225 1 1 9 LYS HZ3 H -3.622 -12.707 2.833 1.00 . A B . 9 LYS HZ3 1 1 12 9226 1 1 9 LYS N N 0.172 -7.326 2.230 1.00 . A B . 9 LYS N 1 1 12 9227 1 1 9 LYS NZ N -4.086 -12.130 3.562 1.00 . A B . 9 LYS NZ 1 1 12 9228 1 1 9 LYS O O -0.542 -6.876 4.944 1.00 . A B . 9 LYS O 1 1 12 9229 1 1 10 LEU C C -4.273 -4.927 4.968 1.00 . A B . 10 LEU C 1 1 12 9230 1 1 10 LEU CA C -2.829 -5.309 5.093 1.00 . A B . 10 LEU CA 1 1 12 9231 1 1 10 LEU CB C -1.941 -4.012 5.118 1.00 . A B . 10 LEU CB 1 1 12 9232 1 1 10 LEU CD1 C -0.739 -2.151 4.047 1.00 . A B . 10 LEU CD1 1 1 12 9233 1 1 10 LEU CD2 C -1.816 -3.787 2.589 1.00 . A B . 10 LEU CD2 1 1 12 9234 1 1 10 LEU CG C -1.903 -3.088 3.914 1.00 . A B . 10 LEU CG 1 1 12 9235 1 1 10 LEU H H -3.121 -6.342 3.296 1.00 . A B . 10 LEU H 1 1 12 9236 1 1 10 LEU HA H -2.704 -5.830 6.030 1.00 . A B . 10 LEU HA 1 1 12 9237 1 1 10 LEU HB2 H -2.438 -3.412 5.865 1.00 . A B . 10 LEU HB2 1 1 12 9238 1 1 10 LEU HB3 H -0.942 -4.072 5.497 1.00 . A B . 10 LEU HB3 1 1 12 9239 1 1 10 LEU HD11 H 0.179 -2.717 3.986 1.00 . A B . 10 LEU HD11 1 1 12 9240 1 1 10 LEU HD12 H -0.766 -1.661 5.010 1.00 . A B . 10 LEU HD12 1 1 12 9241 1 1 10 LEU HD13 H -0.761 -1.419 3.254 1.00 . A B . 10 LEU HD13 1 1 12 9242 1 1 10 LEU HD21 H -2.637 -4.484 2.561 1.00 . A B . 10 LEU HD21 1 1 12 9243 1 1 10 LEU HD22 H -0.892 -4.344 2.537 1.00 . A B . 10 LEU HD22 1 1 12 9244 1 1 10 LEU HD23 H -1.884 -3.082 1.775 1.00 . A B . 10 LEU HD23 1 1 12 9245 1 1 10 LEU HG H -2.852 -2.581 3.998 1.00 . A B . 10 LEU HG 1 1 12 9246 1 1 10 LEU N N -2.470 -6.232 4.026 1.00 . A B . 10 LEU N 1 1 12 9247 1 1 10 LEU O O -4.897 -5.184 3.952 1.00 . A B . 10 LEU O 1 1 12 9248 1 1 11 CYS C C -6.207 -2.692 7.021 1.00 . A B . 11 CYS C 1 1 12 9249 1 1 11 CYS CA C -6.156 -3.847 6.051 1.00 . A B . 11 CYS CA 1 1 12 9250 1 1 11 CYS CB C -7.071 -4.946 6.604 1.00 . A B . 11 CYS CB 1 1 12 9251 1 1 11 CYS H H -4.149 -4.012 6.685 1.00 . A B . 11 CYS H 1 1 12 9252 1 1 11 CYS HA H -6.495 -3.536 5.074 1.00 . A B . 11 CYS HA 1 1 12 9253 1 1 11 CYS HB2 H -6.737 -5.122 7.610 1.00 . A B . 11 CYS HB2 1 1 12 9254 1 1 11 CYS HB3 H -8.078 -4.558 6.635 1.00 . A B . 11 CYS HB3 1 1 12 9255 1 1 11 CYS N N -4.766 -4.275 5.968 1.00 . A B . 11 CYS N 1 1 12 9256 1 1 11 CYS O O -5.243 -2.479 7.752 1.00 . A B . 11 CYS O 1 1 12 9257 1 1 11 CYS SG S -7.089 -6.551 5.719 1.00 . A B . 11 CYS SG 1 1 12 9258 1 1 12 GLY C C -6.384 0.095 8.145 1.00 . A B . 12 GLY C 1 1 12 9259 1 1 12 GLY CA C -7.542 -0.849 7.910 1.00 . A B . 12 GLY CA 1 1 12 9260 1 1 12 GLY H H -7.969 -2.118 6.295 1.00 . A B . 12 GLY H 1 1 12 9261 1 1 12 GLY HA2 H -8.368 -0.258 7.554 1.00 . A B . 12 GLY HA2 1 1 12 9262 1 1 12 GLY HA3 H -7.826 -1.282 8.858 1.00 . A B . 12 GLY HA3 1 1 12 9263 1 1 12 GLY N N -7.292 -1.938 6.983 1.00 . A B . 12 GLY N 1 1 12 9264 1 1 12 GLY O O -5.777 0.651 7.209 1.00 . A B . 12 GLY O 1 1 12 9265 1 1 13 ARG C C -3.636 0.664 9.366 1.00 . A B . 13 ARG C 1 1 12 9266 1 1 13 ARG CA C -5.004 1.109 9.864 1.00 . A B . 13 ARG CA 1 1 12 9267 1 1 13 ARG CB C -5.040 1.182 11.380 1.00 . A B . 13 ARG CB 1 1 12 9268 1 1 13 ARG CD C -6.385 1.684 13.443 1.00 . A B . 13 ARG CD 1 1 12 9269 1 1 13 ARG CG C -6.314 1.797 11.931 1.00 . A B . 13 ARG CG 1 1 12 9270 1 1 13 ARG CZ C -5.211 3.167 15.068 1.00 . A B . 13 ARG CZ 1 1 12 9271 1 1 13 ARG H H -6.540 -0.348 10.029 1.00 . A B . 13 ARG H 1 1 12 9272 1 1 13 ARG HA H -5.210 2.093 9.467 1.00 . A B . 13 ARG HA 1 1 12 9273 1 1 13 ARG HB2 H -4.953 0.180 11.774 1.00 . A B . 13 ARG HB2 1 1 12 9274 1 1 13 ARG HB3 H -4.202 1.771 11.723 1.00 . A B . 13 ARG HB3 1 1 12 9275 1 1 13 ARG HD2 H -7.268 2.191 13.798 1.00 . A B . 13 ARG HD2 1 1 12 9276 1 1 13 ARG HD3 H -6.456 0.637 13.700 1.00 . A B . 13 ARG HD3 1 1 12 9277 1 1 13 ARG HE H -4.349 1.852 13.814 1.00 . A B . 13 ARG HE 1 1 12 9278 1 1 13 ARG HG2 H -6.344 2.842 11.658 1.00 . A B . 13 ARG HG2 1 1 12 9279 1 1 13 ARG HG3 H -7.161 1.288 11.497 1.00 . A B . 13 ARG HG3 1 1 12 9280 1 1 13 ARG HH11 H -7.199 3.663 14.891 1.00 . A B . 13 ARG HH11 1 1 12 9281 1 1 13 ARG HH12 H -6.348 4.506 16.106 1.00 . A B . 13 ARG HH12 1 1 12 9282 1 1 13 ARG HH21 H -3.209 3.031 15.445 1.00 . A B . 13 ARG HH21 1 1 12 9283 1 1 13 ARG HH22 H -4.035 4.165 16.418 1.00 . A B . 13 ARG HH22 1 1 12 9284 1 1 13 ARG N N -6.052 0.219 9.394 1.00 . A B . 13 ARG N 1 1 12 9285 1 1 13 ARG NE N -5.202 2.247 14.100 1.00 . A B . 13 ARG NE 1 1 12 9286 1 1 13 ARG NH1 N -6.331 3.820 15.373 1.00 . A B . 13 ARG NH1 1 1 12 9287 1 1 13 ARG NH2 N -4.077 3.475 15.689 1.00 . A B . 13 ARG NH2 1 1 12 9288 1 1 13 ARG O O -2.758 1.484 9.120 1.00 . A B . 13 ARG O 1 1 12 9289 1 1 14 GLU C C -2.055 -0.743 7.201 1.00 . A B . 14 GLU C 1 1 12 9290 1 1 14 GLU CA C -2.253 -1.198 8.632 1.00 . A B . 14 GLU CA 1 1 12 9291 1 1 14 GLU CB C -2.293 -2.718 8.696 1.00 . A B . 14 GLU CB 1 1 12 9292 1 1 14 GLU CD C -0.810 -3.125 10.663 1.00 . A B . 14 GLU CD 1 1 12 9293 1 1 14 GLU CG C -2.184 -3.287 10.093 1.00 . A B . 14 GLU CG 1 1 12 9294 1 1 14 GLU H H -4.228 -1.239 9.383 1.00 . A B . 14 GLU H 1 1 12 9295 1 1 14 GLU HA H -1.414 -0.840 9.213 1.00 . A B . 14 GLU HA 1 1 12 9296 1 1 14 GLU HB2 H -3.232 -3.043 8.274 1.00 . A B . 14 GLU HB2 1 1 12 9297 1 1 14 GLU HB3 H -1.489 -3.107 8.091 1.00 . A B . 14 GLU HB3 1 1 12 9298 1 1 14 GLU HG2 H -2.883 -2.776 10.738 1.00 . A B . 14 GLU HG2 1 1 12 9299 1 1 14 GLU HG3 H -2.423 -4.340 10.063 1.00 . A B . 14 GLU HG3 1 1 12 9300 1 1 14 GLU N N -3.482 -0.635 9.170 1.00 . A B . 14 GLU N 1 1 12 9301 1 1 14 GLU O O -0.923 -0.499 6.781 1.00 . A B . 14 GLU O 1 1 12 9302 1 1 14 GLU OE1 O -0.477 -2.057 11.194 1.00 . A B . 14 GLU OE1 1 1 12 9303 1 1 14 GLU OE2 O -0.012 -4.075 10.564 1.00 . A B . 14 GLU OE2 1 1 12 9304 1 1 15 LEU C C -2.532 1.282 5.077 1.00 . A B . 15 LEU C 1 1 12 9305 1 1 15 LEU CA C -3.088 -0.128 5.066 1.00 . A B . 15 LEU CA 1 1 12 9306 1 1 15 LEU CB C -4.485 -0.027 4.387 1.00 . A B . 15 LEU CB 1 1 12 9307 1 1 15 LEU CD1 C -6.736 -0.956 3.948 1.00 . A B . 15 LEU CD1 1 1 12 9308 1 1 15 LEU CD2 C -4.845 -1.841 2.698 1.00 . A B . 15 LEU CD2 1 1 12 9309 1 1 15 LEU CG C -5.260 -1.295 4.044 1.00 . A B . 15 LEU CG 1 1 12 9310 1 1 15 LEU H H -4.034 -0.806 6.873 1.00 . A B . 15 LEU H 1 1 12 9311 1 1 15 LEU HA H -2.472 -0.875 4.578 1.00 . A B . 15 LEU HA 1 1 12 9312 1 1 15 LEU HB2 H -5.115 0.558 5.041 1.00 . A B . 15 LEU HB2 1 1 12 9313 1 1 15 LEU HB3 H -4.352 0.542 3.477 1.00 . A B . 15 LEU HB3 1 1 12 9314 1 1 15 LEU HD11 H -7.076 -0.576 4.900 1.00 . A B . 15 LEU HD11 1 1 12 9315 1 1 15 LEU HD12 H -7.286 -1.853 3.710 1.00 . A B . 15 LEU HD12 1 1 12 9316 1 1 15 LEU HD13 H -6.894 -0.214 3.180 1.00 . A B . 15 LEU HD13 1 1 12 9317 1 1 15 LEU HD21 H -3.770 -1.840 2.600 1.00 . A B . 15 LEU HD21 1 1 12 9318 1 1 15 LEU HD22 H -5.261 -1.208 1.928 1.00 . A B . 15 LEU HD22 1 1 12 9319 1 1 15 LEU HD23 H -5.219 -2.849 2.604 1.00 . A B . 15 LEU HD23 1 1 12 9320 1 1 15 LEU HG H -5.099 -2.052 4.796 1.00 . A B . 15 LEU HG 1 1 12 9321 1 1 15 LEU N N -3.171 -0.598 6.456 1.00 . A B . 15 LEU N 1 1 12 9322 1 1 15 LEU O O -1.626 1.617 4.319 1.00 . A B . 15 LEU O 1 1 12 9323 1 1 16 VAL C C -1.203 3.584 6.581 1.00 . A B . 16 VAL C 1 1 12 9324 1 1 16 VAL CA C -2.662 3.466 6.167 1.00 . A B . 16 VAL CA 1 1 12 9325 1 1 16 VAL CB C -3.576 4.180 7.202 1.00 . A B . 16 VAL CB 1 1 12 9326 1 1 16 VAL CG1 C -3.268 5.663 7.297 1.00 . A B . 16 VAL CG1 1 1 12 9327 1 1 16 VAL CG2 C -5.040 3.968 6.861 1.00 . A B . 16 VAL CG2 1 1 12 9328 1 1 16 VAL H H -3.701 1.666 6.628 1.00 . A B . 16 VAL H 1 1 12 9329 1 1 16 VAL HA H -2.759 3.957 5.207 1.00 . A B . 16 VAL HA 1 1 12 9330 1 1 16 VAL HB H -3.390 3.737 8.170 1.00 . A B . 16 VAL HB 1 1 12 9331 1 1 16 VAL HG11 H -2.236 5.802 7.586 1.00 . A B . 16 VAL HG11 1 1 12 9332 1 1 16 VAL HG12 H -3.916 6.117 8.031 1.00 . A B . 16 VAL HG12 1 1 12 9333 1 1 16 VAL HG13 H -3.439 6.120 6.335 1.00 . A B . 16 VAL HG13 1 1 12 9334 1 1 16 VAL HG21 H -5.242 4.364 5.877 1.00 . A B . 16 VAL HG21 1 1 12 9335 1 1 16 VAL HG22 H -5.653 4.479 7.588 1.00 . A B . 16 VAL HG22 1 1 12 9336 1 1 16 VAL HG23 H -5.266 2.911 6.878 1.00 . A B . 16 VAL HG23 1 1 12 9337 1 1 16 VAL N N -3.034 2.061 6.022 1.00 . A B . 16 VAL N 1 1 12 9338 1 1 16 VAL O O -0.474 4.442 6.082 1.00 . A B . 16 VAL O 1 1 12 9339 1 1 17 ARG C C 1.566 2.476 6.780 1.00 . A B . 17 ARG C 1 1 12 9340 1 1 17 ARG CA C 0.590 2.645 7.919 1.00 . A B . 17 ARG CA 1 1 12 9341 1 1 17 ARG CB C 0.789 1.559 8.959 1.00 . A B . 17 ARG CB 1 1 12 9342 1 1 17 ARG CD C 0.730 0.853 11.317 1.00 . A B . 17 ARG CD 1 1 12 9343 1 1 17 ARG CG C 0.404 1.963 10.360 1.00 . A B . 17 ARG CG 1 1 12 9344 1 1 17 ARG CZ C 0.554 0.387 13.729 1.00 . A B . 17 ARG CZ 1 1 12 9345 1 1 17 ARG H H -1.441 2.077 7.846 1.00 . A B . 17 ARG H 1 1 12 9346 1 1 17 ARG HA H 0.804 3.594 8.379 1.00 . A B . 17 ARG HA 1 1 12 9347 1 1 17 ARG HB2 H 0.156 0.730 8.678 1.00 . A B . 17 ARG HB2 1 1 12 9348 1 1 17 ARG HB3 H 1.808 1.208 8.963 1.00 . A B . 17 ARG HB3 1 1 12 9349 1 1 17 ARG HD2 H 0.090 0.009 11.106 1.00 . A B . 17 ARG HD2 1 1 12 9350 1 1 17 ARG HD3 H 1.759 0.563 11.167 1.00 . A B . 17 ARG HD3 1 1 12 9351 1 1 17 ARG HE H 0.493 2.206 12.869 1.00 . A B . 17 ARG HE 1 1 12 9352 1 1 17 ARG HG2 H 0.955 2.849 10.641 1.00 . A B . 17 ARG HG2 1 1 12 9353 1 1 17 ARG HG3 H -0.657 2.162 10.395 1.00 . A B . 17 ARG HG3 1 1 12 9354 1 1 17 ARG HH11 H 0.376 -1.316 12.585 1.00 . A B . 17 ARG HH11 1 1 12 9355 1 1 17 ARG HH12 H 0.455 -1.600 14.260 1.00 . A B . 17 ARG HH12 1 1 12 9356 1 1 17 ARG HH21 H 0.556 1.844 15.138 1.00 . A B . 17 ARG HH21 1 1 12 9357 1 1 17 ARG HH22 H 0.586 0.264 15.769 1.00 . A B . 17 ARG HH22 1 1 12 9358 1 1 17 ARG N N -0.785 2.703 7.467 1.00 . A B . 17 ARG N 1 1 12 9359 1 1 17 ARG NE N 0.554 1.235 12.707 1.00 . A B . 17 ARG NE 1 1 12 9360 1 1 17 ARG NH1 N 0.460 -0.928 13.515 1.00 . A B . 17 ARG NH1 1 1 12 9361 1 1 17 ARG NH2 N 0.557 0.855 14.958 1.00 . A B . 17 ARG NH2 1 1 12 9362 1 1 17 ARG O O 2.575 3.188 6.707 1.00 . A B . 17 ARG O 1 1 12 9363 1 1 18 ALA C C 2.076 2.532 3.809 1.00 . A B . 18 ALA C 1 1 12 9364 1 1 18 ALA CA C 2.126 1.347 4.745 1.00 . A B . 18 ALA CA 1 1 12 9365 1 1 18 ALA CB C 1.763 0.082 4.017 1.00 . A B . 18 ALA CB 1 1 12 9366 1 1 18 ALA H H 0.447 1.052 6.022 1.00 . A B . 18 ALA H 1 1 12 9367 1 1 18 ALA HA H 3.137 1.255 5.117 1.00 . A B . 18 ALA HA 1 1 12 9368 1 1 18 ALA HB1 H 1.809 -0.755 4.697 1.00 . A B . 18 ALA HB1 1 1 12 9369 1 1 18 ALA HB2 H 2.450 -0.075 3.199 1.00 . A B . 18 ALA HB2 1 1 12 9370 1 1 18 ALA HB3 H 0.759 0.172 3.629 1.00 . A B . 18 ALA HB3 1 1 12 9371 1 1 18 ALA N N 1.268 1.572 5.887 1.00 . A B . 18 ALA N 1 1 12 9372 1 1 18 ALA O O 3.101 2.977 3.340 1.00 . A B . 18 ALA O 1 1 12 9373 1 1 19 GLN C C 1.530 5.397 3.149 1.00 . A B . 19 GLN C 1 1 12 9374 1 1 19 GLN CA C 0.640 4.226 2.730 1.00 . A B . 19 GLN CA 1 1 12 9375 1 1 19 GLN CB C -0.817 4.644 2.850 1.00 . A B . 19 GLN CB 1 1 12 9376 1 1 19 GLN CD C -3.206 4.166 2.221 1.00 . A B . 19 GLN CD 1 1 12 9377 1 1 19 GLN CG C -1.767 3.748 2.112 1.00 . A B . 19 GLN CG 1 1 12 9378 1 1 19 GLN H H 0.089 2.633 4.011 1.00 . A B . 19 GLN H 1 1 12 9379 1 1 19 GLN HA H 0.832 3.933 1.704 1.00 . A B . 19 GLN HA 1 1 12 9380 1 1 19 GLN HB2 H -1.057 4.561 3.900 1.00 . A B . 19 GLN HB2 1 1 12 9381 1 1 19 GLN HB3 H -0.969 5.673 2.573 1.00 . A B . 19 GLN HB3 1 1 12 9382 1 1 19 GLN HE21 H -3.584 3.330 0.478 1.00 . A B . 19 GLN HE21 1 1 12 9383 1 1 19 GLN HE22 H -4.924 4.083 1.272 1.00 . A B . 19 GLN HE22 1 1 12 9384 1 1 19 GLN HG2 H -1.498 3.800 1.070 1.00 . A B . 19 GLN HG2 1 1 12 9385 1 1 19 GLN HG3 H -1.656 2.739 2.481 1.00 . A B . 19 GLN HG3 1 1 12 9386 1 1 19 GLN N N 0.870 3.053 3.580 1.00 . A B . 19 GLN N 1 1 12 9387 1 1 19 GLN NE2 N -3.977 3.827 1.222 1.00 . A B . 19 GLN NE2 1 1 12 9388 1 1 19 GLN O O 2.297 5.943 2.341 1.00 . A B . 19 GLN O 1 1 12 9389 1 1 19 GLN OE1 O -3.627 4.776 3.203 1.00 . A B . 19 GLN OE1 1 1 12 9390 1 1 20 ILE C C 3.708 6.554 4.867 1.00 . A B . 20 ILE C 1 1 12 9391 1 1 20 ILE CA C 2.209 6.838 5.006 1.00 . A B . 20 ILE CA 1 1 12 9392 1 1 20 ILE CB C 1.845 7.043 6.508 1.00 . A B . 20 ILE CB 1 1 12 9393 1 1 20 ILE CD1 C -0.105 7.591 8.068 1.00 . A B . 20 ILE CD1 1 1 12 9394 1 1 20 ILE CG1 C 0.371 7.450 6.641 1.00 . A B . 20 ILE CG1 1 1 12 9395 1 1 20 ILE CG2 C 2.751 8.091 7.165 1.00 . A B . 20 ILE CG2 1 1 12 9396 1 1 20 ILE H H 0.748 5.291 4.956 1.00 . A B . 20 ILE H 1 1 12 9397 1 1 20 ILE HA H 1.976 7.744 4.467 1.00 . A B . 20 ILE HA 1 1 12 9398 1 1 20 ILE HB H 1.992 6.104 7.020 1.00 . A B . 20 ILE HB 1 1 12 9399 1 1 20 ILE HD11 H -1.144 7.881 8.076 1.00 . A B . 20 ILE HD11 1 1 12 9400 1 1 20 ILE HD12 H 0.485 8.342 8.572 1.00 . A B . 20 ILE HD12 1 1 12 9401 1 1 20 ILE HD13 H 0.010 6.643 8.574 1.00 . A B . 20 ILE HD13 1 1 12 9402 1 1 20 ILE HG12 H 0.219 8.399 6.149 1.00 . A B . 20 ILE HG12 1 1 12 9403 1 1 20 ILE HG13 H -0.241 6.701 6.157 1.00 . A B . 20 ILE HG13 1 1 12 9404 1 1 20 ILE HG21 H 3.780 7.770 7.098 1.00 . A B . 20 ILE HG21 1 1 12 9405 1 1 20 ILE HG22 H 2.477 8.204 8.204 1.00 . A B . 20 ILE HG22 1 1 12 9406 1 1 20 ILE HG23 H 2.632 9.036 6.658 1.00 . A B . 20 ILE HG23 1 1 12 9407 1 1 20 ILE N N 1.418 5.763 4.411 1.00 . A B . 20 ILE N 1 1 12 9408 1 1 20 ILE O O 4.483 7.431 4.496 1.00 . A B . 20 ILE O 1 1 12 9409 1 1 21 ALA C C 6.038 4.956 3.600 1.00 . A B . 21 ALA C 1 1 12 9410 1 1 21 ALA CA C 5.478 4.889 5.029 1.00 . A B . 21 ALA CA 1 1 12 9411 1 1 21 ALA CB C 5.646 3.496 5.614 1.00 . A B . 21 ALA CB 1 1 12 9412 1 1 21 ALA H H 3.404 4.645 5.331 1.00 . A B . 21 ALA H 1 1 12 9413 1 1 21 ALA HA H 6.047 5.577 5.636 1.00 . A B . 21 ALA HA 1 1 12 9414 1 1 21 ALA HB1 H 5.109 2.784 5.005 1.00 . A B . 21 ALA HB1 1 1 12 9415 1 1 21 ALA HB2 H 5.252 3.477 6.620 1.00 . A B . 21 ALA HB2 1 1 12 9416 1 1 21 ALA HB3 H 6.694 3.237 5.632 1.00 . A B . 21 ALA HB3 1 1 12 9417 1 1 21 ALA N N 4.086 5.311 5.100 1.00 . A B . 21 ALA N 1 1 12 9418 1 1 21 ALA O O 7.248 4.929 3.404 1.00 . A B . 21 ALA O 1 1 12 9419 1 1 22 ILE C C 5.845 6.526 0.867 1.00 . A B . 22 ILE C 1 1 12 9420 1 1 22 ILE CA C 5.588 5.084 1.217 1.00 . A B . 22 ILE CA 1 1 12 9421 1 1 22 ILE CB C 4.526 4.554 0.230 1.00 . A B . 22 ILE CB 1 1 12 9422 1 1 22 ILE CD1 C 2.943 2.625 -0.194 1.00 . A B . 22 ILE CD1 1 1 12 9423 1 1 22 ILE CG1 C 4.149 3.126 0.557 1.00 . A B . 22 ILE CG1 1 1 12 9424 1 1 22 ILE CG2 C 5.059 4.638 -1.197 1.00 . A B . 22 ILE CG2 1 1 12 9425 1 1 22 ILE H H 4.206 4.929 2.827 1.00 . A B . 22 ILE H 1 1 12 9426 1 1 22 ILE HA H 6.507 4.530 1.088 1.00 . A B . 22 ILE HA 1 1 12 9427 1 1 22 ILE HB H 3.649 5.182 0.305 1.00 . A B . 22 ILE HB 1 1 12 9428 1 1 22 ILE HD11 H 2.725 1.612 0.105 1.00 . A B . 22 ILE HD11 1 1 12 9429 1 1 22 ILE HD12 H 3.143 2.653 -1.255 1.00 . A B . 22 ILE HD12 1 1 12 9430 1 1 22 ILE HD13 H 2.096 3.258 0.027 1.00 . A B . 22 ILE HD13 1 1 12 9431 1 1 22 ILE HG12 H 4.979 2.485 0.306 1.00 . A B . 22 ILE HG12 1 1 12 9432 1 1 22 ILE HG13 H 3.943 3.047 1.616 1.00 . A B . 22 ILE HG13 1 1 12 9433 1 1 22 ILE HG21 H 4.308 4.274 -1.881 1.00 . A B . 22 ILE HG21 1 1 12 9434 1 1 22 ILE HG22 H 5.950 4.033 -1.285 1.00 . A B . 22 ILE HG22 1 1 12 9435 1 1 22 ILE HG23 H 5.296 5.665 -1.434 1.00 . A B . 22 ILE HG23 1 1 12 9436 1 1 22 ILE N N 5.162 4.984 2.612 1.00 . A B . 22 ILE N 1 1 12 9437 1 1 22 ILE O O 6.926 6.881 0.466 1.00 . A B . 22 ILE O 1 1 12 9438 1 1 23 CYS C C 5.868 9.544 1.637 1.00 . A B . 23 CYS C 1 1 12 9439 1 1 23 CYS CA C 4.981 8.764 0.699 1.00 . A B . 23 CYS CA 1 1 12 9440 1 1 23 CYS CB C 3.628 9.410 0.561 1.00 . A B . 23 CYS CB 1 1 12 9441 1 1 23 CYS H H 4.023 7.028 1.472 1.00 . A B . 23 CYS H 1 1 12 9442 1 1 23 CYS HA H 5.458 8.773 -0.270 1.00 . A B . 23 CYS HA 1 1 12 9443 1 1 23 CYS HB2 H 2.989 8.997 1.329 1.00 . A B . 23 CYS HB2 1 1 12 9444 1 1 23 CYS HB3 H 3.763 10.463 0.738 1.00 . A B . 23 CYS HB3 1 1 12 9445 1 1 23 CYS N N 4.860 7.362 1.077 1.00 . A B . 23 CYS N 1 1 12 9446 1 1 23 CYS O O 6.374 10.615 1.295 1.00 . A B . 23 CYS O 1 1 12 9447 1 1 23 CYS SG S 2.834 9.120 -1.065 1.00 . A B . 23 CYS SG 1 1 12 9448 1 1 24 GLY C C 8.432 9.395 3.246 1.00 . A B . 24 GLY C 1 1 12 9449 1 1 24 GLY CA C 6.999 9.544 3.752 1.00 . A B . 24 GLY CA 1 1 12 9450 1 1 24 GLY H H 5.463 8.261 3.050 1.00 . A B . 24 GLY H 1 1 12 9451 1 1 24 GLY HA2 H 6.782 10.588 3.925 1.00 . A B . 24 GLY HA2 1 1 12 9452 1 1 24 GLY HA3 H 6.903 9.006 4.684 1.00 . A B . 24 GLY HA3 1 1 12 9453 1 1 24 GLY N N 6.046 9.010 2.807 1.00 . A B . 24 GLY N 1 1 12 9454 1 1 24 GLY O O 9.324 10.149 3.635 1.00 . A B . 24 GLY O 1 1 12 9455 1 1 25 MET C C 9.783 7.701 0.348 1.00 . A B . 25 MET C 1 1 12 9456 1 1 25 MET CA C 9.943 8.191 1.781 1.00 . A B . 25 MET CA 1 1 12 9457 1 1 25 MET CB C 10.818 7.235 2.626 1.00 . A B . 25 MET CB 1 1 12 9458 1 1 25 MET CE C 12.738 4.683 2.783 1.00 . A B . 25 MET CE 1 1 12 9459 1 1 25 MET CG C 10.216 5.862 2.903 1.00 . A B . 25 MET CG 1 1 12 9460 1 1 25 MET H H 7.900 7.855 2.091 1.00 . A B . 25 MET H 1 1 12 9461 1 1 25 MET HA H 10.424 9.158 1.734 1.00 . A B . 25 MET HA 1 1 12 9462 1 1 25 MET HB2 H 11.739 7.072 2.089 1.00 . A B . 25 MET HB2 1 1 12 9463 1 1 25 MET HB3 H 11.031 7.709 3.570 1.00 . A B . 25 MET HB3 1 1 12 9464 1 1 25 MET HE1 H 13.476 4.033 3.229 1.00 . A B . 25 MET HE1 1 1 12 9465 1 1 25 MET HE2 H 13.166 5.664 2.638 1.00 . A B . 25 MET HE2 1 1 12 9466 1 1 25 MET HE3 H 12.435 4.281 1.829 1.00 . A B . 25 MET HE3 1 1 12 9467 1 1 25 MET HG2 H 9.293 5.993 3.449 1.00 . A B . 25 MET HG2 1 1 12 9468 1 1 25 MET HG3 H 10.005 5.380 1.960 1.00 . A B . 25 MET HG3 1 1 12 9469 1 1 25 MET N N 8.647 8.425 2.377 1.00 . A B . 25 MET N 1 1 12 9470 1 1 25 MET O O 10.102 6.560 0.006 1.00 . A B . 25 MET O 1 1 12 9471 1 1 25 MET SD S 11.310 4.798 3.869 1.00 . A B . 25 MET SD 1 1 12 9472 1 1 26 SER C C 10.224 8.400 -2.704 1.00 . A B . 26 SER C 1 1 12 9473 1 1 26 SER CA C 8.990 8.220 -1.849 1.00 . A B . 26 SER CA 1 1 12 9474 1 1 26 SER CB C 7.784 8.995 -2.363 1.00 . A B . 26 SER CB 1 1 12 9475 1 1 26 SER H H 9.038 9.467 -0.185 1.00 . A B . 26 SER H 1 1 12 9476 1 1 26 SER HA H 8.746 7.167 -1.857 1.00 . A B . 26 SER HA 1 1 12 9477 1 1 26 SER HB2 H 7.752 8.933 -3.441 1.00 . A B . 26 SER HB2 1 1 12 9478 1 1 26 SER HB3 H 6.894 8.552 -1.945 1.00 . A B . 26 SER HB3 1 1 12 9479 1 1 26 SER HG H 8.780 10.640 -1.990 1.00 . A B . 26 SER HG 1 1 12 9480 1 1 26 SER N N 9.251 8.557 -0.484 1.00 . A B . 26 SER N 1 1 12 9481 1 1 26 SER O O 10.322 9.303 -3.532 1.00 . A B . 26 SER O 1 1 12 9482 1 1 26 SER OG O 7.852 10.368 -1.971 1.00 . A B . 26 SER OG 1 1 12 9483 1 1 27 THR C C 12.802 6.074 -3.183 1.00 . A B . 27 THR C 1 1 12 9484 1 1 27 THR CA C 12.418 7.526 -3.065 1.00 . A B . 27 THR CA 1 1 12 9485 1 1 27 THR CB C 13.473 8.307 -2.247 1.00 . A B . 27 THR CB 1 1 12 9486 1 1 27 THR CG2 C 13.445 9.798 -2.571 1.00 . A B . 27 THR CG2 1 1 12 9487 1 1 27 THR H H 11.032 6.908 -1.721 1.00 . A B . 27 THR H 1 1 12 9488 1 1 27 THR HA H 12.327 7.967 -4.046 1.00 . A B . 27 THR HA 1 1 12 9489 1 1 27 THR HB H 14.445 7.906 -2.488 1.00 . A B . 27 THR HB 1 1 12 9490 1 1 27 THR HG1 H 12.932 8.941 -0.488 1.00 . A B . 27 THR HG1 1 1 12 9491 1 1 27 THR HG21 H 14.177 10.314 -1.969 1.00 . A B . 27 THR HG21 1 1 12 9492 1 1 27 THR HG22 H 12.462 10.191 -2.355 1.00 . A B . 27 THR HG22 1 1 12 9493 1 1 27 THR HG23 H 13.671 9.947 -3.617 1.00 . A B . 27 THR HG23 1 1 12 9494 1 1 27 THR N N 11.170 7.574 -2.428 1.00 . A B . 27 THR N 1 1 12 9495 1 1 27 THR O O 12.557 5.282 -2.269 1.00 . A B . 27 THR O 1 1 12 9496 1 1 27 THR OG1 O 13.250 8.101 -0.840 1.00 . A B . 27 THR OG1 1 1 12 9497 1 1 28 TRP C C 14.984 3.927 -3.812 1.00 . A B . 28 TRP C 1 1 12 9498 1 1 28 TRP CA C 13.727 4.322 -4.577 1.00 . A B . 28 TRP CA 1 1 12 9499 1 1 28 TRP CB C 13.851 4.077 -6.088 1.00 . A B . 28 TRP CB 1 1 12 9500 1 1 28 TRP CD1 C 13.032 1.711 -6.625 1.00 . A B . 28 TRP CD1 1 1 12 9501 1 1 28 TRP CD2 C 15.250 1.961 -6.793 1.00 . A B . 28 TRP CD2 1 1 12 9502 1 1 28 TRP CE2 C 14.924 0.628 -7.098 1.00 . A B . 28 TRP CE2 1 1 12 9503 1 1 28 TRP CE3 C 16.591 2.354 -6.837 1.00 . A B . 28 TRP CE3 1 1 12 9504 1 1 28 TRP CG C 14.022 2.636 -6.480 1.00 . A B . 28 TRP CG 1 1 12 9505 1 1 28 TRP CH2 C 17.190 0.098 -7.481 1.00 . A B . 28 TRP CH2 1 1 12 9506 1 1 28 TRP CZ2 C 15.887 -0.315 -7.443 1.00 . A B . 28 TRP CZ2 1 1 12 9507 1 1 28 TRP CZ3 C 17.546 1.419 -7.182 1.00 . A B . 28 TRP CZ3 1 1 12 9508 1 1 28 TRP H H 13.516 6.440 -4.943 1.00 . A B . 28 TRP H 1 1 12 9509 1 1 28 TRP HA H 12.933 3.731 -4.170 1.00 . A B . 28 TRP HA 1 1 12 9510 1 1 28 TRP HB2 H 12.961 4.446 -6.575 1.00 . A B . 28 TRP HB2 1 1 12 9511 1 1 28 TRP HB3 H 14.705 4.626 -6.455 1.00 . A B . 28 TRP HB3 1 1 12 9512 1 1 28 TRP HD1 H 11.984 1.907 -6.464 1.00 . A B . 28 TRP HD1 1 1 12 9513 1 1 28 TRP HE1 H 13.056 -0.322 -7.131 1.00 . A B . 28 TRP HE1 1 1 12 9514 1 1 28 TRP HE3 H 16.881 3.369 -6.609 1.00 . A B . 28 TRP HE3 1 1 12 9515 1 1 28 TRP HH2 H 17.971 -0.600 -7.745 1.00 . A B . 28 TRP HH2 1 1 12 9516 1 1 28 TRP HZ2 H 15.627 -1.337 -7.677 1.00 . A B . 28 TRP HZ2 1 1 12 9517 1 1 28 TRP HZ3 H 18.587 1.704 -7.223 1.00 . A B . 28 TRP HZ3 1 1 12 9518 1 1 28 TRP N N 13.362 5.718 -4.297 1.00 . A B . 28 TRP N 1 1 12 9519 1 1 28 TRP NE1 N 13.567 0.504 -6.980 1.00 . A B . 28 TRP NE1 1 1 12 9520 1 1 28 TRP O O 15.341 2.747 -3.676 1.00 . A B . 28 TRP O 1 1 12 9521 1 1 29 SER C C 16.439 5.366 -1.144 1.00 . A B . 29 SER C 1 1 12 9522 1 1 29 SER CA C 16.750 4.753 -2.508 1.00 . A B . 29 SER CA 1 1 12 9523 1 1 29 SER CB C 17.953 5.422 -3.193 1.00 . A B . 29 SER CB 1 1 12 9524 1 1 29 SER H H 15.202 5.771 -3.514 1.00 . A B . 29 SER H 1 1 12 9525 1 1 29 SER HA H 16.943 3.697 -2.386 1.00 . A B . 29 SER HA 1 1 12 9526 1 1 29 SER HB2 H 18.103 4.974 -4.164 1.00 . A B . 29 SER HB2 1 1 12 9527 1 1 29 SER HB3 H 17.748 6.474 -3.318 1.00 . A B . 29 SER HB3 1 1 12 9528 1 1 29 SER HG H 19.634 4.518 -2.796 1.00 . A B . 29 SER HG 1 1 12 9529 1 1 29 SER N N 15.602 4.899 -3.314 1.00 . A B . 29 SER N 1 1 12 9530 1 1 29 SER O O 16.729 6.538 -0.886 1.00 . A B . 29 SER O 1 1 12 9531 1 1 29 SER OG O 19.147 5.272 -2.442 1.00 . A B . 29 SER OG 1 1 12 9532 1 1 30 NH2 HN1 H 15.604 3.672 -0.569 1.00 . A B . 30 NH2 HN1 1 1 12 9533 1 1 30 NH2 HN2 H 15.545 4.969 0.577 1.00 . A B . 30 NH2 HN2 1 1 12 9534 1 1 30 NH2 N N 15.798 4.592 -0.291 1.00 . A B . 30 NH2 N 1 1 12 9535 2 2 1 PCA C C -11.546 2.096 -7.461 1.00 . B A . 1 PCA C 1 1 12 9536 2 2 1 PCA CA C -12.720 2.834 -8.072 1.00 . B A . 1 PCA CA 1 1 12 9537 2 2 1 PCA CB C -13.866 1.875 -8.309 1.00 . B A . 1 PCA CB 1 1 12 9538 2 2 1 PCA CD C -12.898 2.618 -10.364 1.00 . B A . 1 PCA CD 1 1 12 9539 2 2 1 PCA CG C -13.978 1.703 -9.813 1.00 . B A . 1 PCA CG 1 1 12 9540 2 2 1 PCA HA H -12.997 3.640 -7.412 1.00 . B A . 1 PCA HA 1 1 12 9541 2 2 1 PCA HB2 H -13.656 0.917 -7.835 1.00 . B A . 1 PCA HB2 1 1 12 9542 2 2 1 PCA HB3 H -14.788 2.297 -7.909 1.00 . B A . 1 PCA HB3 1 1 12 9543 2 2 1 PCA HG2 H -13.797 0.664 -10.092 1.00 . B A . 1 PCA HG2 1 1 12 9544 2 2 1 PCA HG3 H -14.948 2.043 -10.173 1.00 . B A . 1 PCA HG3 1 1 12 9545 2 2 1 PCA N N -12.342 3.362 -9.401 1.00 . B A . 1 PCA N 1 1 12 9546 2 2 1 PCA O O -11.695 1.201 -6.613 1.00 . B A . 1 PCA O 1 1 12 9547 2 2 1 PCA OE O -12.584 2.650 -11.559 1.00 . B A . 1 PCA OE 1 1 12 9548 2 2 2 LEU C C -8.810 2.099 -6.034 1.00 . B A . 2 LEU C 1 1 12 9549 2 2 2 LEU CA C -9.133 1.910 -7.483 1.00 . B A . 2 LEU CA 1 1 12 9550 2 2 2 LEU CB C -7.994 2.363 -8.409 1.00 . B A . 2 LEU CB 1 1 12 9551 2 2 2 LEU CD1 C -6.709 0.191 -8.471 1.00 . B A . 2 LEU CD1 1 1 12 9552 2 2 2 LEU CD2 C -5.583 2.329 -9.125 1.00 . B A . 2 LEU CD2 1 1 12 9553 2 2 2 LEU CG C -6.624 1.692 -8.215 1.00 . B A . 2 LEU CG 1 1 12 9554 2 2 2 LEU H H -10.422 3.332 -8.423 1.00 . B A . 2 LEU H 1 1 12 9555 2 2 2 LEU HA H -9.205 0.839 -7.525 1.00 . B A . 2 LEU HA 1 1 12 9556 2 2 2 LEU HB2 H -8.308 2.180 -9.427 1.00 . B A . 2 LEU HB2 1 1 12 9557 2 2 2 LEU HB3 H -7.869 3.428 -8.287 1.00 . B A . 2 LEU HB3 1 1 12 9558 2 2 2 LEU HD11 H -5.726 -0.243 -8.361 1.00 . B A . 2 LEU HD11 1 1 12 9559 2 2 2 LEU HD12 H -7.075 0.012 -9.470 1.00 . B A . 2 LEU HD12 1 1 12 9560 2 2 2 LEU HD13 H -7.379 -0.261 -7.755 1.00 . B A . 2 LEU HD13 1 1 12 9561 2 2 2 LEU HD21 H -5.889 2.220 -10.155 1.00 . B A . 2 LEU HD21 1 1 12 9562 2 2 2 LEU HD22 H -4.631 1.841 -8.979 1.00 . B A . 2 LEU HD22 1 1 12 9563 2 2 2 LEU HD23 H -5.490 3.378 -8.886 1.00 . B A . 2 LEU HD23 1 1 12 9564 2 2 2 LEU HG H -6.310 1.830 -7.191 1.00 . B A . 2 LEU HG 1 1 12 9565 2 2 2 LEU N N -10.388 2.532 -7.854 1.00 . B A . 2 LEU N 1 1 12 9566 2 2 2 LEU O O -8.166 1.249 -5.446 1.00 . B A . 2 LEU O 1 1 12 9567 2 2 3 TYR C C -9.880 2.382 -3.200 1.00 . B A . 3 TYR C 1 1 12 9568 2 2 3 TYR CA C -8.989 3.295 -4.039 1.00 . B A . 3 TYR CA 1 1 12 9569 2 2 3 TYR CB C -9.032 4.738 -3.546 1.00 . B A . 3 TYR CB 1 1 12 9570 2 2 3 TYR CD1 C -7.157 4.355 -2.006 1.00 . B A . 3 TYR CD1 1 1 12 9571 2 2 3 TYR CD2 C -9.147 5.245 -1.094 1.00 . B A . 3 TYR CD2 1 1 12 9572 2 2 3 TYR CE1 C -6.582 4.326 -0.794 1.00 . B A . 3 TYR CE1 1 1 12 9573 2 2 3 TYR CE2 C -8.570 5.237 0.156 1.00 . B A . 3 TYR CE2 1 1 12 9574 2 2 3 TYR CG C -8.438 4.805 -2.189 1.00 . B A . 3 TYR CG 1 1 12 9575 2 2 3 TYR CZ C -7.280 4.769 0.302 1.00 . B A . 3 TYR CZ 1 1 12 9576 2 2 3 TYR H H -9.848 3.799 -5.896 1.00 . B A . 3 TYR H 1 1 12 9577 2 2 3 TYR HA H -7.983 2.916 -3.931 1.00 . B A . 3 TYR HA 1 1 12 9578 2 2 3 TYR HB2 H -8.459 5.369 -4.210 1.00 . B A . 3 TYR HB2 1 1 12 9579 2 2 3 TYR HB3 H -10.052 5.084 -3.486 1.00 . B A . 3 TYR HB3 1 1 12 9580 2 2 3 TYR HD1 H -6.598 4.013 -2.864 1.00 . B A . 3 TYR HD1 1 1 12 9581 2 2 3 TYR HD2 H -10.155 5.606 -1.228 1.00 . B A . 3 TYR HD2 1 1 12 9582 2 2 3 TYR HE1 H -5.575 3.943 -0.756 1.00 . B A . 3 TYR HE1 1 1 12 9583 2 2 3 TYR HE2 H -9.137 5.586 1.003 1.00 . B A . 3 TYR HE2 1 1 12 9584 2 2 3 TYR HH H -7.344 4.278 2.124 1.00 . B A . 3 TYR HH 1 1 12 9585 2 2 3 TYR N N -9.290 3.146 -5.423 1.00 . B A . 3 TYR N 1 1 12 9586 2 2 3 TYR O O -9.429 1.790 -2.197 1.00 . B A . 3 TYR O 1 1 12 9587 2 2 3 TYR OH O -6.697 4.720 1.555 1.00 . B A . 3 TYR OH 1 1 12 9588 2 2 4 SER C C -11.561 -0.096 -3.123 1.00 . B A . 4 SER C 1 1 12 9589 2 2 4 SER CA C -12.039 1.350 -2.958 1.00 . B A . 4 SER CA 1 1 12 9590 2 2 4 SER CB C -13.435 1.527 -3.542 1.00 . B A . 4 SER CB 1 1 12 9591 2 2 4 SER H H -11.441 2.781 -4.371 1.00 . B A . 4 SER H 1 1 12 9592 2 2 4 SER HA H -12.055 1.613 -1.912 1.00 . B A . 4 SER HA 1 1 12 9593 2 2 4 SER HB2 H -13.425 1.242 -4.584 1.00 . B A . 4 SER HB2 1 1 12 9594 2 2 4 SER HB3 H -14.136 0.909 -3.002 1.00 . B A . 4 SER HB3 1 1 12 9595 2 2 4 SER HG H -14.697 2.949 -3.882 1.00 . B A . 4 SER HG 1 1 12 9596 2 2 4 SER N N -11.118 2.245 -3.613 1.00 . B A . 4 SER N 1 1 12 9597 2 2 4 SER O O -11.501 -0.867 -2.146 1.00 . B A . 4 SER O 1 1 12 9598 2 2 4 SER OG O -13.841 2.881 -3.441 1.00 . B A . 4 SER OG 1 1 12 9599 2 2 5 ALA C C -9.400 -2.076 -3.952 1.00 . B A . 5 ALA C 1 1 12 9600 2 2 5 ALA CA C -10.689 -1.751 -4.675 1.00 . B A . 5 ALA CA 1 1 12 9601 2 2 5 ALA CB C -10.507 -1.901 -6.172 1.00 . B A . 5 ALA CB 1 1 12 9602 2 2 5 ALA H H -11.227 0.243 -5.063 1.00 . B A . 5 ALA H 1 1 12 9603 2 2 5 ALA HA H -11.436 -2.461 -4.356 1.00 . B A . 5 ALA HA 1 1 12 9604 2 2 5 ALA HB1 H -10.239 -2.921 -6.406 1.00 . B A . 5 ALA HB1 1 1 12 9605 2 2 5 ALA HB2 H -9.722 -1.237 -6.505 1.00 . B A . 5 ALA HB2 1 1 12 9606 2 2 5 ALA HB3 H -11.431 -1.646 -6.666 1.00 . B A . 5 ALA HB3 1 1 12 9607 2 2 5 ALA N N -11.167 -0.430 -4.347 1.00 . B A . 5 ALA N 1 1 12 9608 2 2 5 ALA O O -9.267 -3.170 -3.437 1.00 . B A . 5 ALA O 1 1 12 9609 2 2 6 LEU C C -7.270 -1.817 -1.851 1.00 . B A . 6 LEU C 1 1 12 9610 2 2 6 LEU CA C -7.156 -1.252 -3.256 1.00 . B A . 6 LEU CA 1 1 12 9611 2 2 6 LEU CB C -6.441 0.112 -3.197 1.00 . B A . 6 LEU CB 1 1 12 9612 2 2 6 LEU CD1 C -4.068 -0.686 -3.005 1.00 . B A . 6 LEU CD1 1 1 12 9613 2 2 6 LEU CD2 C -4.651 1.612 -2.285 1.00 . B A . 6 LEU CD2 1 1 12 9614 2 2 6 LEU CG C -5.132 0.183 -2.393 1.00 . B A . 6 LEU CG 1 1 12 9615 2 2 6 LEU H H -8.657 -0.258 -4.367 1.00 . B A . 6 LEU H 1 1 12 9616 2 2 6 LEU HA H -6.563 -1.925 -3.858 1.00 . B A . 6 LEU HA 1 1 12 9617 2 2 6 LEU HB2 H -6.225 0.418 -4.209 1.00 . B A . 6 LEU HB2 1 1 12 9618 2 2 6 LEU HB3 H -7.132 0.826 -2.773 1.00 . B A . 6 LEU HB3 1 1 12 9619 2 2 6 LEU HD11 H -3.883 -0.367 -4.019 1.00 . B A . 6 LEU HD11 1 1 12 9620 2 2 6 LEU HD12 H -4.401 -1.714 -3.008 1.00 . B A . 6 LEU HD12 1 1 12 9621 2 2 6 LEU HD13 H -3.155 -0.609 -2.434 1.00 . B A . 6 LEU HD13 1 1 12 9622 2 2 6 LEU HD21 H -5.422 2.206 -1.818 1.00 . B A . 6 LEU HD21 1 1 12 9623 2 2 6 LEU HD22 H -4.449 2.000 -3.272 1.00 . B A . 6 LEU HD22 1 1 12 9624 2 2 6 LEU HD23 H -3.753 1.651 -1.686 1.00 . B A . 6 LEU HD23 1 1 12 9625 2 2 6 LEU HG H -5.318 -0.184 -1.394 1.00 . B A . 6 LEU HG 1 1 12 9626 2 2 6 LEU N N -8.475 -1.111 -3.913 1.00 . B A . 6 LEU N 1 1 12 9627 2 2 6 LEU O O -6.687 -2.864 -1.552 1.00 . B A . 6 LEU O 1 1 12 9628 2 2 7 ALA C C -8.692 -2.964 0.490 1.00 . B A . 7 ALA C 1 1 12 9629 2 2 7 ALA CA C -8.206 -1.536 0.381 1.00 . B A . 7 ALA CA 1 1 12 9630 2 2 7 ALA CB C -9.159 -0.600 1.093 1.00 . B A . 7 ALA CB 1 1 12 9631 2 2 7 ALA H H -8.520 -0.353 -1.350 1.00 . B A . 7 ALA H 1 1 12 9632 2 2 7 ALA HA H -7.239 -1.463 0.856 1.00 . B A . 7 ALA HA 1 1 12 9633 2 2 7 ALA HB1 H -9.223 -0.874 2.136 1.00 . B A . 7 ALA HB1 1 1 12 9634 2 2 7 ALA HB2 H -10.135 -0.677 0.640 1.00 . B A . 7 ALA HB2 1 1 12 9635 2 2 7 ALA HB3 H -8.794 0.412 1.007 1.00 . B A . 7 ALA HB3 1 1 12 9636 2 2 7 ALA N N -8.048 -1.143 -1.012 1.00 . B A . 7 ALA N 1 1 12 9637 2 2 7 ALA O O -8.138 -3.759 1.234 1.00 . B A . 7 ALA O 1 1 12 9638 2 2 8 ASN C C -9.323 -5.655 -0.890 1.00 . B A . 8 ASN C 1 1 12 9639 2 2 8 ASN CA C -10.265 -4.625 -0.293 1.00 . B A . 8 ASN CA 1 1 12 9640 2 2 8 ASN CB C -11.617 -4.636 -1.026 1.00 . B A . 8 ASN CB 1 1 12 9641 2 2 8 ASN CG C -12.671 -3.792 -0.324 1.00 . B A . 8 ASN CG 1 1 12 9642 2 2 8 ASN H H -10.007 -2.630 -0.954 1.00 . B A . 8 ASN H 1 1 12 9643 2 2 8 ASN HA H -10.435 -4.882 0.743 1.00 . B A . 8 ASN HA 1 1 12 9644 2 2 8 ASN HB2 H -11.480 -4.248 -2.024 1.00 . B A . 8 ASN HB2 1 1 12 9645 2 2 8 ASN HB3 H -11.973 -5.653 -1.085 1.00 . B A . 8 ASN HB3 1 1 12 9646 2 2 8 ASN HD21 H -13.576 -3.350 -2.047 1.00 . B A . 8 ASN HD21 1 1 12 9647 2 2 8 ASN HD22 H -14.277 -2.690 -0.622 1.00 . B A . 8 ASN HD22 1 1 12 9648 2 2 8 ASN N N -9.676 -3.299 -0.315 1.00 . B A . 8 ASN N 1 1 12 9649 2 2 8 ASN ND2 N -13.587 -3.225 -1.072 1.00 . B A . 8 ASN ND2 1 1 12 9650 2 2 8 ASN O O -9.214 -6.765 -0.399 1.00 . B A . 8 ASN O 1 1 12 9651 2 2 8 ASN OD1 O -12.651 -3.649 0.899 1.00 . B A . 8 ASN OD1 1 1 12 9652 2 2 9 LYS C C -6.552 -6.542 -1.748 1.00 . B A . 9 LYS C 1 1 12 9653 2 2 9 LYS CA C -7.701 -6.139 -2.631 1.00 . B A . 9 LYS CA 1 1 12 9654 2 2 9 LYS CB C -7.178 -5.438 -3.888 1.00 . B A . 9 LYS CB 1 1 12 9655 2 2 9 LYS CD C -5.954 -5.510 -6.052 1.00 . B A . 9 LYS CD 1 1 12 9656 2 2 9 LYS CE C -5.249 -6.364 -7.090 1.00 . B A . 9 LYS CE 1 1 12 9657 2 2 9 LYS CG C -6.445 -6.329 -4.871 1.00 . B A . 9 LYS CG 1 1 12 9658 2 2 9 LYS H H -8.661 -4.314 -2.184 1.00 . B A . 9 LYS H 1 1 12 9659 2 2 9 LYS HA H -8.231 -7.038 -2.902 1.00 . B A . 9 LYS HA 1 1 12 9660 2 2 9 LYS HB2 H -7.974 -4.915 -4.397 1.00 . B A . 9 LYS HB2 1 1 12 9661 2 2 9 LYS HB3 H -6.478 -4.688 -3.552 1.00 . B A . 9 LYS HB3 1 1 12 9662 2 2 9 LYS HD2 H -6.803 -5.030 -6.516 1.00 . B A . 9 LYS HD2 1 1 12 9663 2 2 9 LYS HD3 H -5.271 -4.755 -5.692 1.00 . B A . 9 LYS HD3 1 1 12 9664 2 2 9 LYS HE2 H -4.864 -5.714 -7.861 1.00 . B A . 9 LYS HE2 1 1 12 9665 2 2 9 LYS HE3 H -4.427 -6.879 -6.615 1.00 . B A . 9 LYS HE3 1 1 12 9666 2 2 9 LYS HG2 H -5.600 -6.786 -4.376 1.00 . B A . 9 LYS HG2 1 1 12 9667 2 2 9 LYS HG3 H -7.116 -7.095 -5.228 1.00 . B A . 9 LYS HG3 1 1 12 9668 2 2 9 LYS HZ1 H -6.953 -6.896 -8.190 1.00 . B A . 9 LYS HZ1 1 1 12 9669 2 2 9 LYS HZ2 H -6.535 -8.018 -7.003 1.00 . B A . 9 LYS HZ2 1 1 12 9670 2 2 9 LYS HZ3 H -5.648 -7.927 -8.412 1.00 . B A . 9 LYS HZ3 1 1 12 9671 2 2 9 LYS N N -8.599 -5.255 -1.902 1.00 . B A . 9 LYS N 1 1 12 9672 2 2 9 LYS NZ N -6.155 -7.356 -7.707 1.00 . B A . 9 LYS NZ 1 1 12 9673 2 2 9 LYS O O -6.292 -7.728 -1.568 1.00 . B A . 9 LYS O 1 1 12 9674 2 2 10 CYS C C -5.253 -6.474 1.016 1.00 . B A . 10 CYS C 1 1 12 9675 2 2 10 CYS CA C -4.789 -5.819 -0.287 1.00 . B A . 10 CYS CA 1 1 12 9676 2 2 10 CYS CB C -3.998 -4.543 0.009 1.00 . B A . 10 CYS CB 1 1 12 9677 2 2 10 CYS H H -6.135 -4.632 -1.367 1.00 . B A . 10 CYS H 1 1 12 9678 2 2 10 CYS HA H -4.138 -6.513 -0.799 1.00 . B A . 10 CYS HA 1 1 12 9679 2 2 10 CYS HB2 H -4.687 -3.728 0.161 1.00 . B A . 10 CYS HB2 1 1 12 9680 2 2 10 CYS HB3 H -3.438 -4.724 0.909 1.00 . B A . 10 CYS HB3 1 1 12 9681 2 2 10 CYS N N -5.893 -5.569 -1.179 1.00 . B A . 10 CYS N 1 1 12 9682 2 2 10 CYS O O -4.461 -7.117 1.710 1.00 . B A . 10 CYS O 1 1 12 9683 2 2 10 CYS SG S -2.811 -3.981 -1.265 1.00 . B A . 10 CYS SG 1 1 12 9684 2 2 11 CYS C C -7.396 -8.387 2.323 1.00 . B A . 11 CYS C 1 1 12 9685 2 2 11 CYS CA C -7.074 -6.913 2.545 1.00 . B A . 11 CYS CA 1 1 12 9686 2 2 11 CYS CB C -8.334 -6.168 3.010 1.00 . B A . 11 CYS CB 1 1 12 9687 2 2 11 CYS H H -7.119 -5.779 0.772 1.00 . B A . 11 CYS H 1 1 12 9688 2 2 11 CYS HA H -6.320 -6.837 3.314 1.00 . B A . 11 CYS HA 1 1 12 9689 2 2 11 CYS HB2 H -8.174 -5.103 2.937 1.00 . B A . 11 CYS HB2 1 1 12 9690 2 2 11 CYS HB3 H -9.148 -6.436 2.351 1.00 . B A . 11 CYS HB3 1 1 12 9691 2 2 11 CYS N N -6.533 -6.326 1.336 1.00 . B A . 11 CYS N 1 1 12 9692 2 2 11 CYS O O -7.249 -9.214 3.232 1.00 . B A . 11 CYS O 1 1 12 9693 2 2 11 CYS SG S -8.849 -6.565 4.711 1.00 . B A . 11 CYS SG 1 1 12 9694 2 2 12 HIS C C -7.012 -10.893 0.298 1.00 . B A . 12 HIS C 1 1 12 9695 2 2 12 HIS CA C -8.186 -10.100 0.821 1.00 . B A . 12 HIS CA 1 1 12 9696 2 2 12 HIS CB C -9.367 -10.175 -0.152 1.00 . B A . 12 HIS CB 1 1 12 9697 2 2 12 HIS CD2 C -11.241 -8.672 0.824 1.00 . B A . 12 HIS CD2 1 1 12 9698 2 2 12 HIS CE1 C -12.707 -10.191 1.304 1.00 . B A . 12 HIS CE1 1 1 12 9699 2 2 12 HIS CG C -10.700 -9.862 0.471 1.00 . B A . 12 HIS CG 1 1 12 9700 2 2 12 HIS H H -7.941 -8.039 0.423 1.00 . B A . 12 HIS H 1 1 12 9701 2 2 12 HIS HA H -8.494 -10.552 1.752 1.00 . B A . 12 HIS HA 1 1 12 9702 2 2 12 HIS HB2 H -9.198 -9.441 -0.927 1.00 . B A . 12 HIS HB2 1 1 12 9703 2 2 12 HIS HB3 H -9.408 -11.151 -0.608 1.00 . B A . 12 HIS HB3 1 1 12 9704 2 2 12 HIS HD1 H -11.579 -11.788 0.648 1.00 . B A . 12 HIS HD1 1 1 12 9705 2 2 12 HIS HD2 H -10.757 -7.711 0.724 1.00 . B A . 12 HIS HD2 1 1 12 9706 2 2 12 HIS HE1 H -13.604 -10.688 1.644 1.00 . B A . 12 HIS HE1 1 1 12 9707 2 2 12 HIS N N -7.833 -8.726 1.122 1.00 . B A . 12 HIS N 1 1 12 9708 2 2 12 HIS ND1 N -11.649 -10.816 0.784 1.00 . B A . 12 HIS ND1 1 1 12 9709 2 2 12 HIS NE2 N -12.513 -8.879 1.351 1.00 . B A . 12 HIS NE2 1 1 12 9710 2 2 12 HIS O O -6.644 -11.923 0.861 1.00 . B A . 12 HIS O 1 1 12 9711 2 2 13 VAL C C -3.985 -10.477 -1.180 1.00 . B A . 13 VAL C 1 1 12 9712 2 2 13 VAL CA C -5.339 -11.141 -1.391 1.00 . B A . 13 VAL CA 1 1 12 9713 2 2 13 VAL CB C -5.607 -11.392 -2.905 1.00 . B A . 13 VAL CB 1 1 12 9714 2 2 13 VAL CG1 C -6.749 -12.373 -3.082 1.00 . B A . 13 VAL CG1 1 1 12 9715 2 2 13 VAL CG2 C -5.935 -10.105 -3.662 1.00 . B A . 13 VAL CG2 1 1 12 9716 2 2 13 VAL H H -6.699 -9.548 -1.111 1.00 . B A . 13 VAL H 1 1 12 9717 2 2 13 VAL HA H -5.298 -12.104 -0.902 1.00 . B A . 13 VAL HA 1 1 12 9718 2 2 13 VAL HB H -4.689 -11.796 -3.301 1.00 . B A . 13 VAL HB 1 1 12 9719 2 2 13 VAL HG11 H -7.641 -11.964 -2.630 1.00 . B A . 13 VAL HG11 1 1 12 9720 2 2 13 VAL HG12 H -6.500 -13.307 -2.601 1.00 . B A . 13 VAL HG12 1 1 12 9721 2 2 13 VAL HG13 H -6.922 -12.540 -4.135 1.00 . B A . 13 VAL HG13 1 1 12 9722 2 2 13 VAL HG21 H -5.106 -9.418 -3.579 1.00 . B A . 13 VAL HG21 1 1 12 9723 2 2 13 VAL HG22 H -6.821 -9.654 -3.240 1.00 . B A . 13 VAL HG22 1 1 12 9724 2 2 13 VAL HG23 H -6.107 -10.335 -4.703 1.00 . B A . 13 VAL HG23 1 1 12 9725 2 2 13 VAL N N -6.419 -10.419 -0.756 1.00 . B A . 13 VAL N 1 1 12 9726 2 2 13 VAL O O -3.015 -11.121 -0.796 1.00 . B A . 13 VAL O 1 1 12 9727 2 2 14 GLY C C -2.483 -7.712 -2.577 1.00 . B A . 14 GLY C 1 1 12 9728 2 2 14 GLY CA C -2.728 -8.450 -1.294 1.00 . B A . 14 GLY CA 1 1 12 9729 2 2 14 GLY H H -4.766 -8.786 -1.728 1.00 . B A . 14 GLY H 1 1 12 9730 2 2 14 GLY HA2 H -2.798 -7.759 -0.468 1.00 . B A . 14 GLY HA2 1 1 12 9731 2 2 14 GLY HA3 H -1.889 -9.088 -1.080 1.00 . B A . 14 GLY HA3 1 1 12 9732 2 2 14 GLY N N -3.942 -9.213 -1.412 1.00 . B A . 14 GLY N 1 1 12 9733 2 2 14 GLY O O -2.899 -8.178 -3.644 1.00 . B A . 14 GLY O 1 1 12 9734 2 2 15 CYS C C -0.361 -4.933 -3.537 1.00 . B A . 15 CYS C 1 1 12 9735 2 2 15 CYS CA C -1.614 -5.776 -3.669 1.00 . B A . 15 CYS CA 1 1 12 9736 2 2 15 CYS CB C -2.869 -5.013 -4.175 1.00 . B A . 15 CYS CB 1 1 12 9737 2 2 15 CYS H H -1.517 -6.249 -1.642 1.00 . B A . 15 CYS H 1 1 12 9738 2 2 15 CYS HA H -1.351 -6.511 -4.417 1.00 . B A . 15 CYS HA 1 1 12 9739 2 2 15 CYS HB2 H -2.607 -4.357 -4.989 1.00 . B A . 15 CYS HB2 1 1 12 9740 2 2 15 CYS HB3 H -3.546 -5.769 -4.543 1.00 . B A . 15 CYS HB3 1 1 12 9741 2 2 15 CYS N N -1.858 -6.583 -2.502 1.00 . B A . 15 CYS N 1 1 12 9742 2 2 15 CYS O O 0.227 -4.846 -2.440 1.00 . B A . 15 CYS O 1 1 12 9743 2 2 15 CYS SG S -3.839 -4.007 -2.991 1.00 . B A . 15 CYS SG 1 1 12 9744 2 2 16 THR C C 1.423 -2.479 -3.839 1.00 . B A . 16 THR C 1 1 12 9745 2 2 16 THR CA C 1.351 -3.720 -4.688 1.00 . B A . 16 THR CA 1 1 12 9746 2 2 16 THR CB C 1.839 -3.435 -6.124 1.00 . B A . 16 THR CB 1 1 12 9747 2 2 16 THR CG2 C 2.261 -4.719 -6.820 1.00 . B A . 16 THR CG2 1 1 12 9748 2 2 16 THR H H -0.392 -4.456 -5.485 1.00 . B A . 16 THR H 1 1 12 9749 2 2 16 THR HA H 2.062 -4.396 -4.255 1.00 . B A . 16 THR HA 1 1 12 9750 2 2 16 THR HB H 2.694 -2.777 -6.061 1.00 . B A . 16 THR HB 1 1 12 9751 2 2 16 THR HG1 H 0.239 -3.445 -7.263 1.00 . B A . 16 THR HG1 1 1 12 9752 2 2 16 THR HG21 H 2.594 -4.492 -7.822 1.00 . B A . 16 THR HG21 1 1 12 9753 2 2 16 THR HG22 H 1.424 -5.401 -6.864 1.00 . B A . 16 THR HG22 1 1 12 9754 2 2 16 THR HG23 H 3.069 -5.179 -6.270 1.00 . B A . 16 THR HG23 1 1 12 9755 2 2 16 THR N N 0.110 -4.404 -4.648 1.00 . B A . 16 THR N 1 1 12 9756 2 2 16 THR O O 0.478 -1.702 -3.712 1.00 . B A . 16 THR O 1 1 12 9757 2 2 16 THR OG1 O 0.819 -2.777 -6.878 1.00 . B A . 16 THR OG1 1 1 12 9758 2 2 17 LYS C C 2.837 0.084 -3.374 1.00 . B A . 17 LYS C 1 1 12 9759 2 2 17 LYS CA C 2.937 -1.149 -2.493 1.00 . B A . 17 LYS CA 1 1 12 9760 2 2 17 LYS CB C 4.360 -1.367 -2.013 1.00 . B A . 17 LYS CB 1 1 12 9761 2 2 17 LYS CD C 4.204 -0.933 0.443 1.00 . B A . 17 LYS CD 1 1 12 9762 2 2 17 LYS CE C 4.882 -0.250 1.617 1.00 . B A . 17 LYS CE 1 1 12 9763 2 2 17 LYS CG C 4.853 -0.531 -0.867 1.00 . B A . 17 LYS CG 1 1 12 9764 2 2 17 LYS H H 3.238 -3.008 -3.480 1.00 . B A . 17 LYS H 1 1 12 9765 2 2 17 LYS HA H 2.267 -1.023 -1.654 1.00 . B A . 17 LYS HA 1 1 12 9766 2 2 17 LYS HB2 H 4.394 -2.386 -1.667 1.00 . B A . 17 LYS HB2 1 1 12 9767 2 2 17 LYS HB3 H 5.062 -1.277 -2.827 1.00 . B A . 17 LYS HB3 1 1 12 9768 2 2 17 LYS HD2 H 3.160 -0.653 0.426 1.00 . B A . 17 LYS HD2 1 1 12 9769 2 2 17 LYS HD3 H 4.290 -2.003 0.563 1.00 . B A . 17 LYS HD3 1 1 12 9770 2 2 17 LYS HE2 H 4.714 0.814 1.554 1.00 . B A . 17 LYS HE2 1 1 12 9771 2 2 17 LYS HE3 H 4.450 -0.625 2.533 1.00 . B A . 17 LYS HE3 1 1 12 9772 2 2 17 LYS HG2 H 5.910 -0.742 -0.785 1.00 . B A . 17 LYS HG2 1 1 12 9773 2 2 17 LYS HG3 H 4.681 0.517 -1.066 1.00 . B A . 17 LYS HG3 1 1 12 9774 2 2 17 LYS HZ1 H 6.813 -0.122 0.798 1.00 . B A . 17 LYS HZ1 1 1 12 9775 2 2 17 LYS HZ2 H 6.543 -1.538 1.639 1.00 . B A . 17 LYS HZ2 1 1 12 9776 2 2 17 LYS HZ3 H 6.799 -0.093 2.465 1.00 . B A . 17 LYS HZ3 1 1 12 9777 2 2 17 LYS N N 2.585 -2.292 -3.306 1.00 . B A . 17 LYS N 1 1 12 9778 2 2 17 LYS NZ N 6.339 -0.513 1.634 1.00 . B A . 17 LYS NZ 1 1 12 9779 2 2 17 LYS O O 2.457 1.138 -2.930 1.00 . B A . 17 LYS O 1 1 12 9780 2 2 18 ARG C C 1.512 1.313 -5.846 1.00 . B A . 18 ARG C 1 1 12 9781 2 2 18 ARG CA C 2.979 0.924 -5.667 1.00 . B A . 18 ARG CA 1 1 12 9782 2 2 18 ARG CB C 3.547 0.441 -6.991 1.00 . B A . 18 ARG CB 1 1 12 9783 2 2 18 ARG CD C 5.793 1.542 -6.775 1.00 . B A . 18 ARG CD 1 1 12 9784 2 2 18 ARG CG C 5.053 0.231 -6.996 1.00 . B A . 18 ARG CG 1 1 12 9785 2 2 18 ARG CZ C 5.740 3.834 -7.771 1.00 . B A . 18 ARG CZ 1 1 12 9786 2 2 18 ARG H H 3.430 -1.000 -4.923 1.00 . B A . 18 ARG H 1 1 12 9787 2 2 18 ARG HA H 3.536 1.788 -5.340 1.00 . B A . 18 ARG HA 1 1 12 9788 2 2 18 ARG HB2 H 3.073 -0.494 -7.250 1.00 . B A . 18 ARG HB2 1 1 12 9789 2 2 18 ARG HB3 H 3.302 1.176 -7.743 1.00 . B A . 18 ARG HB3 1 1 12 9790 2 2 18 ARG HD2 H 5.538 1.939 -5.804 1.00 . B A . 18 ARG HD2 1 1 12 9791 2 2 18 ARG HD3 H 6.854 1.346 -6.811 1.00 . B A . 18 ARG HD3 1 1 12 9792 2 2 18 ARG HE H 4.967 2.160 -8.583 1.00 . B A . 18 ARG HE 1 1 12 9793 2 2 18 ARG HG2 H 5.314 -0.457 -6.206 1.00 . B A . 18 ARG HG2 1 1 12 9794 2 2 18 ARG HG3 H 5.348 -0.184 -7.948 1.00 . B A . 18 ARG HG3 1 1 12 9795 2 2 18 ARG HH11 H 6.774 3.820 -5.976 1.00 . B A . 18 ARG HH11 1 1 12 9796 2 2 18 ARG HH12 H 6.652 5.331 -6.696 1.00 . B A . 18 ARG HH12 1 1 12 9797 2 2 18 ARG HH21 H 4.844 4.236 -9.548 1.00 . B A . 18 ARG HH21 1 1 12 9798 2 2 18 ARG HH22 H 5.514 5.603 -8.785 1.00 . B A . 18 ARG HH22 1 1 12 9799 2 2 18 ARG N N 3.115 -0.112 -4.656 1.00 . B A . 18 ARG N 1 1 12 9800 2 2 18 ARG NE N 5.455 2.529 -7.809 1.00 . B A . 18 ARG NE 1 1 12 9801 2 2 18 ARG NH1 N 6.429 4.355 -6.752 1.00 . B A . 18 ARG NH1 1 1 12 9802 2 2 18 ARG NH2 N 5.347 4.615 -8.765 1.00 . B A . 18 ARG NH2 1 1 12 9803 2 2 18 ARG O O 1.192 2.451 -6.186 1.00 . B A . 18 ARG O 1 1 12 9804 2 2 19 SER C C -1.255 1.488 -4.550 1.00 . B A . 19 SER C 1 1 12 9805 2 2 19 SER CA C -0.769 0.597 -5.694 1.00 . B A . 19 SER CA 1 1 12 9806 2 2 19 SER CB C -1.505 -0.756 -5.755 1.00 . B A . 19 SER CB 1 1 12 9807 2 2 19 SER H H 0.928 -0.487 -5.221 1.00 . B A . 19 SER H 1 1 12 9808 2 2 19 SER HA H -0.925 1.125 -6.622 1.00 . B A . 19 SER HA 1 1 12 9809 2 2 19 SER HB2 H -1.064 -1.293 -6.579 1.00 . B A . 19 SER HB2 1 1 12 9810 2 2 19 SER HB3 H -1.318 -1.338 -4.861 1.00 . B A . 19 SER HB3 1 1 12 9811 2 2 19 SER HG H -3.204 0.192 -5.531 1.00 . B A . 19 SER HG 1 1 12 9812 2 2 19 SER N N 0.634 0.383 -5.561 1.00 . B A . 19 SER N 1 1 12 9813 2 2 19 SER O O -2.157 2.290 -4.731 1.00 . B A . 19 SER O 1 1 12 9814 2 2 19 SER OG O -2.902 -0.599 -5.991 1.00 . B A . 19 SER OG 1 1 12 9815 2 2 20 LEU C C -0.192 3.569 -2.454 1.00 . B A . 20 LEU C 1 1 12 9816 2 2 20 LEU CA C -0.963 2.294 -2.267 1.00 . B A . 20 LEU CA 1 1 12 9817 2 2 20 LEU CB C -0.707 1.747 -0.828 1.00 . B A . 20 LEU CB 1 1 12 9818 2 2 20 LEU CD1 C -0.560 -0.774 -1.034 1.00 . B A . 20 LEU CD1 1 1 12 9819 2 2 20 LEU CD2 C -1.417 0.236 1.055 1.00 . B A . 20 LEU CD2 1 1 12 9820 2 2 20 LEU CG C -1.315 0.386 -0.443 1.00 . B A . 20 LEU CG 1 1 12 9821 2 2 20 LEU H H -0.028 0.590 -3.285 1.00 . B A . 20 LEU H 1 1 12 9822 2 2 20 LEU HA H -1.984 2.633 -2.350 1.00 . B A . 20 LEU HA 1 1 12 9823 2 2 20 LEU HB2 H 0.327 1.819 -0.524 1.00 . B A . 20 LEU HB2 1 1 12 9824 2 2 20 LEU HB3 H -1.216 2.467 -0.207 1.00 . B A . 20 LEU HB3 1 1 12 9825 2 2 20 LEU HD11 H -0.563 -0.703 -2.111 1.00 . B A . 20 LEU HD11 1 1 12 9826 2 2 20 LEU HD12 H -1.031 -1.698 -0.733 1.00 . B A . 20 LEU HD12 1 1 12 9827 2 2 20 LEU HD13 H 0.458 -0.754 -0.673 1.00 . B A . 20 LEU HD13 1 1 12 9828 2 2 20 LEU HD21 H -0.430 0.327 1.485 1.00 . B A . 20 LEU HD21 1 1 12 9829 2 2 20 LEU HD22 H -1.823 -0.738 1.288 1.00 . B A . 20 LEU HD22 1 1 12 9830 2 2 20 LEU HD23 H -2.068 1.000 1.452 1.00 . B A . 20 LEU HD23 1 1 12 9831 2 2 20 LEU HG H -2.312 0.365 -0.848 1.00 . B A . 20 LEU HG 1 1 12 9832 2 2 20 LEU N N -0.644 1.353 -3.377 1.00 . B A . 20 LEU N 1 1 12 9833 2 2 20 LEU O O -0.653 4.639 -2.074 1.00 . B A . 20 LEU O 1 1 12 9834 2 2 21 ALA C C 1.206 5.668 -4.148 1.00 . B A . 21 ALA C 1 1 12 9835 2 2 21 ALA CA C 1.881 4.573 -3.340 1.00 . B A . 21 ALA CA 1 1 12 9836 2 2 21 ALA CB C 3.122 4.098 -4.079 1.00 . B A . 21 ALA CB 1 1 12 9837 2 2 21 ALA H H 1.223 2.512 -3.274 1.00 . B A . 21 ALA H 1 1 12 9838 2 2 21 ALA HA H 2.194 4.988 -2.393 1.00 . B A . 21 ALA HA 1 1 12 9839 2 2 21 ALA HB1 H 3.834 4.905 -4.158 1.00 . B A . 21 ALA HB1 1 1 12 9840 2 2 21 ALA HB2 H 2.835 3.787 -5.073 1.00 . B A . 21 ALA HB2 1 1 12 9841 2 2 21 ALA HB3 H 3.567 3.264 -3.558 1.00 . B A . 21 ALA HB3 1 1 12 9842 2 2 21 ALA N N 0.968 3.439 -3.057 1.00 . B A . 21 ALA N 1 1 12 9843 2 2 21 ALA O O 1.377 6.851 -3.876 1.00 . B A . 21 ALA O 1 1 12 9844 2 2 22 ARG C C -1.521 6.833 -5.308 1.00 . B A . 22 ARG C 1 1 12 9845 2 2 22 ARG CA C -0.295 6.197 -5.991 1.00 . B A . 22 ARG CA 1 1 12 9846 2 2 22 ARG CB C -0.678 5.497 -7.302 1.00 . B A . 22 ARG CB 1 1 12 9847 2 2 22 ARG CD C -1.754 3.508 -8.404 1.00 . B A . 22 ARG CD 1 1 12 9848 2 2 22 ARG CG C -1.614 4.315 -7.127 1.00 . B A . 22 ARG CG 1 1 12 9849 2 2 22 ARG CZ C -0.270 1.665 -9.220 1.00 . B A . 22 ARG CZ 1 1 12 9850 2 2 22 ARG H H 0.305 4.296 -5.241 1.00 . B A . 22 ARG H 1 1 12 9851 2 2 22 ARG HA H 0.402 6.991 -6.218 1.00 . B A . 22 ARG HA 1 1 12 9852 2 2 22 ARG HB2 H -1.161 6.215 -7.950 1.00 . B A . 22 ARG HB2 1 1 12 9853 2 2 22 ARG HB3 H 0.223 5.149 -7.783 1.00 . B A . 22 ARG HB3 1 1 12 9854 2 2 22 ARG HD2 H -2.460 2.710 -8.229 1.00 . B A . 22 ARG HD2 1 1 12 9855 2 2 22 ARG HD3 H -2.127 4.151 -9.187 1.00 . B A . 22 ARG HD3 1 1 12 9856 2 2 22 ARG HE H 0.298 3.556 -8.816 1.00 . B A . 22 ARG HE 1 1 12 9857 2 2 22 ARG HG2 H -1.222 3.673 -6.352 1.00 . B A . 22 ARG HG2 1 1 12 9858 2 2 22 ARG HG3 H -2.586 4.682 -6.830 1.00 . B A . 22 ARG HG3 1 1 12 9859 2 2 22 ARG HH11 H -2.204 1.042 -8.932 1.00 . B A . 22 ARG HH11 1 1 12 9860 2 2 22 ARG HH12 H -1.162 -0.158 -9.512 1.00 . B A . 22 ARG HH12 1 1 12 9861 2 2 22 ARG HH21 H 1.729 1.893 -9.602 1.00 . B A . 22 ARG HH21 1 1 12 9862 2 2 22 ARG HH22 H 1.119 0.324 -9.898 1.00 . B A . 22 ARG HH22 1 1 12 9863 2 2 22 ARG N N 0.404 5.263 -5.109 1.00 . B A . 22 ARG N 1 1 12 9864 2 2 22 ARG NE N -0.465 2.932 -8.827 1.00 . B A . 22 ARG NE 1 1 12 9865 2 2 22 ARG NH1 N -1.277 0.796 -9.218 1.00 . B A . 22 ARG NH1 1 1 12 9866 2 2 22 ARG NH2 N 0.940 1.266 -9.598 1.00 . B A . 22 ARG NH2 1 1 12 9867 2 2 22 ARG O O -2.323 7.512 -5.954 1.00 . B A . 22 ARG O 1 1 12 9868 2 2 23 PHE C C -2.147 7.835 -1.984 1.00 . B A . 23 PHE C 1 1 12 9869 2 2 23 PHE CA C -2.713 7.202 -3.227 1.00 . B A . 23 PHE CA 1 1 12 9870 2 2 23 PHE CB C -3.816 6.201 -2.867 1.00 . B A . 23 PHE CB 1 1 12 9871 2 2 23 PHE CD1 C -5.622 6.538 -4.563 1.00 . B A . 23 PHE CD1 1 1 12 9872 2 2 23 PHE CD2 C -4.392 4.505 -4.613 1.00 . B A . 23 PHE CD2 1 1 12 9873 2 2 23 PHE CE1 C -6.370 6.118 -5.639 1.00 . B A . 23 PHE CE1 1 1 12 9874 2 2 23 PHE CE2 C -5.135 4.077 -5.688 1.00 . B A . 23 PHE CE2 1 1 12 9875 2 2 23 PHE CG C -4.625 5.735 -4.038 1.00 . B A . 23 PHE CG 1 1 12 9876 2 2 23 PHE CZ C -6.126 4.885 -6.202 1.00 . B A . 23 PHE CZ 1 1 12 9877 2 2 23 PHE H H -1.004 6.020 -3.572 1.00 . B A . 23 PHE H 1 1 12 9878 2 2 23 PHE HA H -3.140 7.996 -3.815 1.00 . B A . 23 PHE HA 1 1 12 9879 2 2 23 PHE HB2 H -3.366 5.332 -2.412 1.00 . B A . 23 PHE HB2 1 1 12 9880 2 2 23 PHE HB3 H -4.488 6.660 -2.157 1.00 . B A . 23 PHE HB3 1 1 12 9881 2 2 23 PHE HD1 H -5.812 7.504 -4.119 1.00 . B A . 23 PHE HD1 1 1 12 9882 2 2 23 PHE HD2 H -3.615 3.872 -4.211 1.00 . B A . 23 PHE HD2 1 1 12 9883 2 2 23 PHE HE1 H -7.146 6.752 -6.041 1.00 . B A . 23 PHE HE1 1 1 12 9884 2 2 23 PHE HE2 H -4.940 3.111 -6.128 1.00 . B A . 23 PHE HE2 1 1 12 9885 2 2 23 PHE HZ H -6.712 4.553 -7.045 1.00 . B A . 23 PHE HZ 1 1 12 9886 2 2 23 PHE N N -1.658 6.602 -4.014 1.00 . B A . 23 PHE N 1 1 12 9887 2 2 23 PHE O O -2.148 9.060 -1.850 1.00 . B A . 23 PHE O 1 1 12 9888 2 2 24 CYS C C -2.103 7.985 1.149 1.00 . B A . 24 CYS C 1 1 12 9889 2 2 24 CYS CA C -1.059 7.391 0.195 1.00 . B A . 24 CYS CA 1 1 12 9890 2 2 24 CYS CB C 0.158 8.313 0.061 1.00 . B A . 24 CYS CB 1 1 12 9891 2 2 24 CYS H H -1.608 6.048 -1.392 1.00 . B A . 24 CYS H 1 1 12 9892 2 2 24 CYS HA H -0.732 6.463 0.644 1.00 . B A . 24 CYS HA 1 1 12 9893 2 2 24 CYS HB2 H -0.123 9.180 -0.518 1.00 . B A . 24 CYS HB2 1 1 12 9894 2 2 24 CYS HB3 H 0.470 8.630 1.045 1.00 . B A . 24 CYS HB3 1 1 12 9895 2 2 24 CYS N N -1.626 6.993 -1.113 1.00 . B A . 24 CYS N 1 1 12 9896 2 2 24 CYS O O -2.492 7.350 2.118 1.00 . B A . 24 CYS O 1 1 12 9897 2 2 24 CYS SG S 1.590 7.552 -0.762 1.00 . B A . 24 CYS SG 1 1 12 9898 2 2 25 NH2 HN1 H -2.177 9.652 0.108 1.00 . B A . 25 NH2 HN1 1 1 12 9899 2 2 25 NH2 HN2 H -3.182 9.604 1.509 1.00 . B A . 25 NH2 HN2 1 1 12 9900 2 2 25 NH2 N N -2.529 9.196 0.904 1.00 . B A . 25 NH2 N 1 1 13 9901 1 1 1 ASP C C 10.937 1.609 -7.525 1.00 . A B . 1 ASP C 1 1 13 9902 1 1 1 ASP CA C 10.850 3.106 -7.767 1.00 . A B . 1 ASP CA 1 1 13 9903 1 1 1 ASP CB C 10.785 3.340 -9.282 1.00 . A B . 1 ASP CB 1 1 13 9904 1 1 1 ASP CG C 10.543 4.759 -9.682 1.00 . A B . 1 ASP CG 1 1 13 9905 1 1 1 ASP H1 H 11.903 4.853 -7.277 1.00 . A B . 1 ASP H1 1 1 13 9906 1 1 1 ASP H2 H 12.888 3.565 -7.604 1.00 . A B . 1 ASP H2 1 1 13 9907 1 1 1 ASP H3 H 12.089 3.633 -6.138 1.00 . A B . 1 ASP H3 1 1 13 9908 1 1 1 ASP HA H 9.932 3.450 -7.311 1.00 . A B . 1 ASP HA 1 1 13 9909 1 1 1 ASP HB2 H 11.727 3.041 -9.718 1.00 . A B . 1 ASP HB2 1 1 13 9910 1 1 1 ASP HB3 H 10.014 2.721 -9.715 1.00 . A B . 1 ASP HB3 1 1 13 9911 1 1 1 ASP N N 11.986 3.823 -7.154 1.00 . A B . 1 ASP N 1 1 13 9912 1 1 1 ASP O O 9.916 0.950 -7.423 1.00 . A B . 1 ASP O 1 1 13 9913 1 1 1 ASP OD1 O 9.386 5.154 -9.838 1.00 . A B . 1 ASP OD1 1 1 13 9914 1 1 1 ASP OD2 O 11.511 5.499 -9.899 1.00 . A B . 1 ASP OD2 1 1 13 9915 1 1 2 SER C C 11.663 -0.982 -6.026 1.00 . A B . 2 SER C 1 1 13 9916 1 1 2 SER CA C 12.353 -0.383 -7.253 1.00 . A B . 2 SER CA 1 1 13 9917 1 1 2 SER CB C 13.838 -0.707 -7.290 1.00 . A B . 2 SER CB 1 1 13 9918 1 1 2 SER H H 12.940 1.646 -7.414 1.00 . A B . 2 SER H 1 1 13 9919 1 1 2 SER HA H 11.875 -0.828 -8.100 1.00 . A B . 2 SER HA 1 1 13 9920 1 1 2 SER HB2 H 14.323 -0.260 -6.435 1.00 . A B . 2 SER HB2 1 1 13 9921 1 1 2 SER HB3 H 13.983 -1.776 -7.266 1.00 . A B . 2 SER HB3 1 1 13 9922 1 1 2 SER HG H 15.260 0.228 -8.220 1.00 . A B . 2 SER HG 1 1 13 9923 1 1 2 SER N N 12.141 1.074 -7.391 1.00 . A B . 2 SER N 1 1 13 9924 1 1 2 SER O O 11.283 -2.150 -6.002 1.00 . A B . 2 SER O 1 1 13 9925 1 1 2 SER OG O 14.428 -0.185 -8.477 1.00 . A B . 2 SER OG 1 1 13 9926 1 1 3 TRP C C 9.267 -0.699 -4.040 1.00 . A B . 3 TRP C 1 1 13 9927 1 1 3 TRP CA C 10.780 -0.522 -3.846 1.00 . A B . 3 TRP CA 1 1 13 9928 1 1 3 TRP CB C 11.084 0.501 -2.728 1.00 . A B . 3 TRP CB 1 1 13 9929 1 1 3 TRP CD1 C 11.904 2.805 -3.485 1.00 . A B . 3 TRP CD1 1 1 13 9930 1 1 3 TRP CD2 C 9.687 2.678 -3.260 1.00 . A B . 3 TRP CD2 1 1 13 9931 1 1 3 TRP CE2 C 10.018 3.971 -3.687 1.00 . A B . 3 TRP CE2 1 1 13 9932 1 1 3 TRP CE3 C 8.348 2.370 -3.051 1.00 . A B . 3 TRP CE3 1 1 13 9933 1 1 3 TRP CG C 10.913 1.941 -3.141 1.00 . A B . 3 TRP CG 1 1 13 9934 1 1 3 TRP CH2 C 7.758 4.613 -3.703 1.00 . A B . 3 TRP CH2 1 1 13 9935 1 1 3 TRP CZ2 C 9.059 4.951 -3.910 1.00 . A B . 3 TRP CZ2 1 1 13 9936 1 1 3 TRP CZ3 C 7.405 3.334 -3.275 1.00 . A B . 3 TRP CZ3 1 1 13 9937 1 1 3 TRP H H 11.759 0.746 -5.292 1.00 . A B . 3 TRP H 1 1 13 9938 1 1 3 TRP HA H 11.188 -1.478 -3.553 1.00 . A B . 3 TRP HA 1 1 13 9939 1 1 3 TRP HB2 H 10.421 0.316 -1.896 1.00 . A B . 3 TRP HB2 1 1 13 9940 1 1 3 TRP HB3 H 12.103 0.363 -2.401 1.00 . A B . 3 TRP HB3 1 1 13 9941 1 1 3 TRP HD1 H 12.954 2.554 -3.495 1.00 . A B . 3 TRP HD1 1 1 13 9942 1 1 3 TRP HE1 H 11.892 4.816 -4.103 1.00 . A B . 3 TRP HE1 1 1 13 9943 1 1 3 TRP HE3 H 8.036 1.393 -2.712 1.00 . A B . 3 TRP HE3 1 1 13 9944 1 1 3 TRP HH2 H 6.976 5.340 -3.865 1.00 . A B . 3 TRP HH2 1 1 13 9945 1 1 3 TRP HZ2 H 9.321 5.944 -4.240 1.00 . A B . 3 TRP HZ2 1 1 13 9946 1 1 3 TRP HZ3 H 6.368 3.076 -3.137 1.00 . A B . 3 TRP HZ3 1 1 13 9947 1 1 3 TRP N N 11.443 -0.154 -5.084 1.00 . A B . 3 TRP N 1 1 13 9948 1 1 3 TRP NE1 N 11.376 4.019 -3.821 1.00 . A B . 3 TRP NE1 1 1 13 9949 1 1 3 TRP O O 8.588 -1.259 -3.181 1.00 . A B . 3 TRP O 1 1 13 9950 1 1 4 MET C C 6.908 -1.726 -5.804 1.00 . A B . 4 MET C 1 1 13 9951 1 1 4 MET CA C 7.317 -0.323 -5.447 1.00 . A B . 4 MET CA 1 1 13 9952 1 1 4 MET CB C 6.872 0.596 -6.569 1.00 . A B . 4 MET CB 1 1 13 9953 1 1 4 MET CE C 7.213 2.520 -9.054 1.00 . A B . 4 MET CE 1 1 13 9954 1 1 4 MET CG C 7.047 2.075 -6.323 1.00 . A B . 4 MET CG 1 1 13 9955 1 1 4 MET H H 9.343 0.147 -5.859 1.00 . A B . 4 MET H 1 1 13 9956 1 1 4 MET HA H 6.806 -0.030 -4.542 1.00 . A B . 4 MET HA 1 1 13 9957 1 1 4 MET HB2 H 7.395 0.328 -7.475 1.00 . A B . 4 MET HB2 1 1 13 9958 1 1 4 MET HB3 H 5.822 0.392 -6.689 1.00 . A B . 4 MET HB3 1 1 13 9959 1 1 4 MET HE1 H 7.013 1.473 -9.222 1.00 . A B . 4 MET HE1 1 1 13 9960 1 1 4 MET HE2 H 8.267 2.665 -8.877 1.00 . A B . 4 MET HE2 1 1 13 9961 1 1 4 MET HE3 H 6.913 3.091 -9.920 1.00 . A B . 4 MET HE3 1 1 13 9962 1 1 4 MET HG2 H 6.580 2.328 -5.383 1.00 . A B . 4 MET HG2 1 1 13 9963 1 1 4 MET HG3 H 8.103 2.294 -6.267 1.00 . A B . 4 MET HG3 1 1 13 9964 1 1 4 MET N N 8.748 -0.241 -5.180 1.00 . A B . 4 MET N 1 1 13 9965 1 1 4 MET O O 5.729 -2.105 -5.651 1.00 . A B . 4 MET O 1 1 13 9966 1 1 4 MET SD S 6.313 3.092 -7.621 1.00 . A B . 4 MET SD 1 1 13 9967 1 1 5 GLU C C 7.725 -4.738 -5.437 1.00 . A B . 5 GLU C 1 1 13 9968 1 1 5 GLU CA C 7.579 -3.852 -6.647 1.00 . A B . 5 GLU CA 1 1 13 9969 1 1 5 GLU CB C 8.382 -4.319 -7.855 1.00 . A B . 5 GLU CB 1 1 13 9970 1 1 5 GLU CD C 8.740 -4.026 -10.348 1.00 . A B . 5 GLU CD 1 1 13 9971 1 1 5 GLU CG C 7.969 -3.598 -9.128 1.00 . A B . 5 GLU CG 1 1 13 9972 1 1 5 GLU H H 8.760 -2.147 -6.414 1.00 . A B . 5 GLU H 1 1 13 9973 1 1 5 GLU HA H 6.528 -3.870 -6.901 1.00 . A B . 5 GLU HA 1 1 13 9974 1 1 5 GLU HB2 H 9.431 -4.131 -7.674 1.00 . A B . 5 GLU HB2 1 1 13 9975 1 1 5 GLU HB3 H 8.224 -5.376 -7.994 1.00 . A B . 5 GLU HB3 1 1 13 9976 1 1 5 GLU HG2 H 6.921 -3.785 -9.305 1.00 . A B . 5 GLU HG2 1 1 13 9977 1 1 5 GLU HG3 H 8.113 -2.539 -8.974 1.00 . A B . 5 GLU HG3 1 1 13 9978 1 1 5 GLU N N 7.850 -2.494 -6.301 1.00 . A B . 5 GLU N 1 1 13 9979 1 1 5 GLU O O 8.746 -5.392 -5.207 1.00 . A B . 5 GLU O 1 1 13 9980 1 1 5 GLU OE1 O 8.462 -5.124 -10.894 1.00 . A B . 5 GLU OE1 1 1 13 9981 1 1 5 GLU OE2 O 9.604 -3.265 -10.816 1.00 . A B . 5 GLU OE2 1 1 13 9982 1 1 6 GLU C C 5.114 -5.636 -3.326 1.00 . A B . 6 GLU C 1 1 13 9983 1 1 6 GLU CA C 6.580 -5.349 -3.408 1.00 . A B . 6 GLU CA 1 1 13 9984 1 1 6 GLU CB C 6.964 -4.437 -2.245 1.00 . A B . 6 GLU CB 1 1 13 9985 1 1 6 GLU CD C 7.439 -4.127 0.214 1.00 . A B . 6 GLU CD 1 1 13 9986 1 1 6 GLU CG C 7.106 -5.112 -0.887 1.00 . A B . 6 GLU CG 1 1 13 9987 1 1 6 GLU H H 5.981 -4.055 -4.886 1.00 . A B . 6 GLU H 1 1 13 9988 1 1 6 GLU HA H 7.175 -6.249 -3.408 1.00 . A B . 6 GLU HA 1 1 13 9989 1 1 6 GLU HB2 H 7.836 -3.844 -2.472 1.00 . A B . 6 GLU HB2 1 1 13 9990 1 1 6 GLU HB3 H 6.122 -3.774 -2.159 1.00 . A B . 6 GLU HB3 1 1 13 9991 1 1 6 GLU HG2 H 6.171 -5.594 -0.643 1.00 . A B . 6 GLU HG2 1 1 13 9992 1 1 6 GLU HG3 H 7.886 -5.856 -0.939 1.00 . A B . 6 GLU HG3 1 1 13 9993 1 1 6 GLU N N 6.722 -4.648 -4.631 1.00 . A B . 6 GLU N 1 1 13 9994 1 1 6 GLU O O 4.319 -4.936 -3.972 1.00 . A B . 6 GLU O 1 1 13 9995 1 1 6 GLU OE1 O 8.609 -3.706 0.322 1.00 . A B . 6 GLU OE1 1 1 13 9996 1 1 6 GLU OE2 O 6.556 -3.778 1.010 1.00 . A B . 6 GLU OE2 1 1 13 9997 1 1 7 VAL C C 3.168 -7.585 -1.033 1.00 . A B . 7 VAL C 1 1 13 9998 1 1 7 VAL CA C 3.384 -6.994 -2.417 1.00 . A B . 7 VAL CA 1 1 13 9999 1 1 7 VAL CB C 2.917 -7.973 -3.564 1.00 . A B . 7 VAL CB 1 1 13 10000 1 1 7 VAL CG1 C 3.839 -9.177 -3.699 1.00 . A B . 7 VAL CG1 1 1 13 10001 1 1 7 VAL CG2 C 1.468 -8.423 -3.365 1.00 . A B . 7 VAL CG2 1 1 13 10002 1 1 7 VAL H H 5.463 -7.039 -2.050 1.00 . A B . 7 VAL H 1 1 13 10003 1 1 7 VAL HA H 2.796 -6.088 -2.476 1.00 . A B . 7 VAL HA 1 1 13 10004 1 1 7 VAL HB H 2.974 -7.424 -4.492 1.00 . A B . 7 VAL HB 1 1 13 10005 1 1 7 VAL HG11 H 4.836 -8.842 -3.948 1.00 . A B . 7 VAL HG11 1 1 13 10006 1 1 7 VAL HG12 H 3.473 -9.833 -4.475 1.00 . A B . 7 VAL HG12 1 1 13 10007 1 1 7 VAL HG13 H 3.865 -9.707 -2.758 1.00 . A B . 7 VAL HG13 1 1 13 10008 1 1 7 VAL HG21 H 1.186 -9.097 -4.160 1.00 . A B . 7 VAL HG21 1 1 13 10009 1 1 7 VAL HG22 H 0.818 -7.561 -3.374 1.00 . A B . 7 VAL HG22 1 1 13 10010 1 1 7 VAL HG23 H 1.376 -8.927 -2.414 1.00 . A B . 7 VAL HG23 1 1 13 10011 1 1 7 VAL N N 4.757 -6.595 -2.566 1.00 . A B . 7 VAL N 1 1 13 10012 1 1 7 VAL O O 3.848 -8.540 -0.632 1.00 . A B . 7 VAL O 1 1 13 10013 1 1 8 ILE C C 0.476 -7.387 1.287 1.00 . A B . 8 ILE C 1 1 13 10014 1 1 8 ILE CA C 1.972 -7.421 1.066 1.00 . A B . 8 ILE CA 1 1 13 10015 1 1 8 ILE CB C 2.667 -6.541 2.160 1.00 . A B . 8 ILE CB 1 1 13 10016 1 1 8 ILE CD1 C 2.878 -4.130 3.028 1.00 . A B . 8 ILE CD1 1 1 13 10017 1 1 8 ILE CG1 C 2.258 -5.072 2.008 1.00 . A B . 8 ILE CG1 1 1 13 10018 1 1 8 ILE CG2 C 4.189 -6.706 2.131 1.00 . A B . 8 ILE CG2 1 1 13 10019 1 1 8 ILE H H 1.751 -6.246 -0.662 1.00 . A B . 8 ILE H 1 1 13 10020 1 1 8 ILE HA H 2.313 -8.442 1.167 1.00 . A B . 8 ILE HA 1 1 13 10021 1 1 8 ILE HB H 2.327 -6.898 3.121 1.00 . A B . 8 ILE HB 1 1 13 10022 1 1 8 ILE HD11 H 3.955 -4.166 2.943 1.00 . A B . 8 ILE HD11 1 1 13 10023 1 1 8 ILE HD12 H 2.584 -4.433 4.022 1.00 . A B . 8 ILE HD12 1 1 13 10024 1 1 8 ILE HD13 H 2.536 -3.122 2.844 1.00 . A B . 8 ILE HD13 1 1 13 10025 1 1 8 ILE HG12 H 2.535 -4.756 1.016 1.00 . A B . 8 ILE HG12 1 1 13 10026 1 1 8 ILE HG13 H 1.185 -5.010 2.095 1.00 . A B . 8 ILE HG13 1 1 13 10027 1 1 8 ILE HG21 H 4.443 -7.739 2.321 1.00 . A B . 8 ILE HG21 1 1 13 10028 1 1 8 ILE HG22 H 4.635 -6.080 2.889 1.00 . A B . 8 ILE HG22 1 1 13 10029 1 1 8 ILE HG23 H 4.562 -6.416 1.160 1.00 . A B . 8 ILE HG23 1 1 13 10030 1 1 8 ILE N N 2.273 -6.992 -0.291 1.00 . A B . 8 ILE N 1 1 13 10031 1 1 8 ILE O O -0.279 -6.909 0.421 1.00 . A B . 8 ILE O 1 1 13 10032 1 1 9 LYS C C -1.511 -7.095 4.056 1.00 . A B . 9 LYS C 1 1 13 10033 1 1 9 LYS CA C -1.334 -7.917 2.786 1.00 . A B . 9 LYS CA 1 1 13 10034 1 1 9 LYS CB C -1.818 -9.357 3.002 1.00 . A B . 9 LYS CB 1 1 13 10035 1 1 9 LYS CD C -3.762 -10.906 3.484 1.00 . A B . 9 LYS CD 1 1 13 10036 1 1 9 LYS CE C -3.170 -11.514 4.749 1.00 . A B . 9 LYS CE 1 1 13 10037 1 1 9 LYS CG C -3.316 -9.469 3.276 1.00 . A B . 9 LYS CG 1 1 13 10038 1 1 9 LYS H H 0.738 -8.232 3.032 1.00 . A B . 9 LYS H 1 1 13 10039 1 1 9 LYS HA H -1.896 -7.463 1.982 1.00 . A B . 9 LYS HA 1 1 13 10040 1 1 9 LYS HB2 H -1.590 -9.936 2.119 1.00 . A B . 9 LYS HB2 1 1 13 10041 1 1 9 LYS HB3 H -1.284 -9.771 3.844 1.00 . A B . 9 LYS HB3 1 1 13 10042 1 1 9 LYS HD2 H -4.840 -10.933 3.557 1.00 . A B . 9 LYS HD2 1 1 13 10043 1 1 9 LYS HD3 H -3.447 -11.491 2.633 1.00 . A B . 9 LYS HD3 1 1 13 10044 1 1 9 LYS HE2 H -3.522 -12.532 4.822 1.00 . A B . 9 LYS HE2 1 1 13 10045 1 1 9 LYS HE3 H -2.094 -11.512 4.671 1.00 . A B . 9 LYS HE3 1 1 13 10046 1 1 9 LYS HG2 H -3.549 -8.904 4.166 1.00 . A B . 9 LYS HG2 1 1 13 10047 1 1 9 LYS HG3 H -3.854 -9.049 2.438 1.00 . A B . 9 LYS HG3 1 1 13 10048 1 1 9 LYS HZ1 H -3.222 -11.264 6.825 1.00 . A B . 9 LYS HZ1 1 1 13 10049 1 1 9 LYS HZ2 H -4.614 -10.752 6.062 1.00 . A B . 9 LYS HZ2 1 1 13 10050 1 1 9 LYS HZ3 H -3.231 -9.805 6.001 1.00 . A B . 9 LYS HZ3 1 1 13 10051 1 1 9 LYS N N 0.058 -7.890 2.413 1.00 . A B . 9 LYS N 1 1 13 10052 1 1 9 LYS NZ N -3.579 -10.783 5.974 1.00 . A B . 9 LYS NZ 1 1 13 10053 1 1 9 LYS O O -0.690 -7.184 4.989 1.00 . A B . 9 LYS O 1 1 13 10054 1 1 10 LEU C C -4.262 -4.944 5.091 1.00 . A B . 10 LEU C 1 1 13 10055 1 1 10 LEU CA C -2.828 -5.381 5.167 1.00 . A B . 10 LEU CA 1 1 13 10056 1 1 10 LEU CB C -1.883 -4.125 5.149 1.00 . A B . 10 LEU CB 1 1 13 10057 1 1 10 LEU CD1 C -0.699 -2.240 4.087 1.00 . A B . 10 LEU CD1 1 1 13 10058 1 1 10 LEU CD2 C -1.591 -3.980 2.618 1.00 . A B . 10 LEU CD2 1 1 13 10059 1 1 10 LEU CG C -1.817 -3.237 3.915 1.00 . A B . 10 LEU CG 1 1 13 10060 1 1 10 LEU H H -3.231 -6.355 3.374 1.00 . A B . 10 LEU H 1 1 13 10061 1 1 10 LEU HA H -2.697 -5.902 6.105 1.00 . A B . 10 LEU HA 1 1 13 10062 1 1 10 LEU HB2 H -2.344 -3.482 5.885 1.00 . A B . 10 LEU HB2 1 1 13 10063 1 1 10 LEU HB3 H -0.885 -4.230 5.520 1.00 . A B . 10 LEU HB3 1 1 13 10064 1 1 10 LEU HD11 H -0.728 -1.522 3.283 1.00 . A B . 10 LEU HD11 1 1 13 10065 1 1 10 LEU HD12 H 0.239 -2.773 4.042 1.00 . A B . 10 LEU HD12 1 1 13 10066 1 1 10 LEU HD13 H -0.766 -1.739 5.042 1.00 . A B . 10 LEU HD13 1 1 13 10067 1 1 10 LEU HD21 H -1.624 -3.293 1.785 1.00 . A B . 10 LEU HD21 1 1 13 10068 1 1 10 LEU HD22 H -2.368 -4.722 2.508 1.00 . A B . 10 LEU HD22 1 1 13 10069 1 1 10 LEU HD23 H -0.630 -4.471 2.655 1.00 . A B . 10 LEU HD23 1 1 13 10070 1 1 10 LEU HG H -2.797 -2.791 3.924 1.00 . A B . 10 LEU HG 1 1 13 10071 1 1 10 LEU N N -2.558 -6.315 4.092 1.00 . A B . 10 LEU N 1 1 13 10072 1 1 10 LEU O O -4.914 -5.153 4.085 1.00 . A B . 10 LEU O 1 1 13 10073 1 1 11 CYS C C -6.123 -2.726 7.287 1.00 . A B . 11 CYS C 1 1 13 10074 1 1 11 CYS CA C -6.104 -3.870 6.281 1.00 . A B . 11 CYS CA 1 1 13 10075 1 1 11 CYS CB C -6.985 -5.004 6.844 1.00 . A B . 11 CYS CB 1 1 13 10076 1 1 11 CYS H H -4.045 -4.009 6.783 1.00 . A B . 11 CYS H 1 1 13 10077 1 1 11 CYS HA H -6.491 -3.538 5.329 1.00 . A B . 11 CYS HA 1 1 13 10078 1 1 11 CYS HB2 H -6.627 -5.191 7.840 1.00 . A B . 11 CYS HB2 1 1 13 10079 1 1 11 CYS HB3 H -8.001 -4.641 6.914 1.00 . A B . 11 CYS HB3 1 1 13 10080 1 1 11 CYS N N -4.707 -4.293 6.119 1.00 . A B . 11 CYS N 1 1 13 10081 1 1 11 CYS O O -5.139 -2.529 7.980 1.00 . A B . 11 CYS O 1 1 13 10082 1 1 11 CYS SG S -7.000 -6.596 5.918 1.00 . A B . 11 CYS SG 1 1 13 10083 1 1 12 GLY C C -6.225 0.062 8.436 1.00 . A B . 12 GLY C 1 1 13 10084 1 1 12 GLY CA C -7.405 -0.877 8.282 1.00 . A B . 12 GLY CA 1 1 13 10085 1 1 12 GLY H H -7.901 -2.134 6.645 1.00 . A B . 12 GLY H 1 1 13 10086 1 1 12 GLY HA2 H -8.262 -0.287 8.005 1.00 . A B . 12 GLY HA2 1 1 13 10087 1 1 12 GLY HA3 H -7.605 -1.328 9.243 1.00 . A B . 12 GLY HA3 1 1 13 10088 1 1 12 GLY N N -7.205 -1.962 7.312 1.00 . A B . 12 GLY N 1 1 13 10089 1 1 12 GLY O O -5.638 0.540 7.447 1.00 . A B . 12 GLY O 1 1 13 10090 1 1 13 ARG C C -3.420 0.578 9.450 1.00 . A B . 13 ARG C 1 1 13 10091 1 1 13 ARG CA C -4.731 1.145 10.001 1.00 . A B . 13 ARG CA 1 1 13 10092 1 1 13 ARG CB C -4.659 1.411 11.519 1.00 . A B . 13 ARG CB 1 1 13 10093 1 1 13 ARG CD C -3.366 3.585 11.406 1.00 . A B . 13 ARG CD 1 1 13 10094 1 1 13 ARG CG C -3.433 2.187 11.991 1.00 . A B . 13 ARG CG 1 1 13 10095 1 1 13 ARG CZ C -1.860 5.560 11.635 1.00 . A B . 13 ARG CZ 1 1 13 10096 1 1 13 ARG H H -6.344 -0.163 10.392 1.00 . A B . 13 ARG H 1 1 13 10097 1 1 13 ARG HA H -4.915 2.082 9.494 1.00 . A B . 13 ARG HA 1 1 13 10098 1 1 13 ARG HB2 H -5.531 1.981 11.803 1.00 . A B . 13 ARG HB2 1 1 13 10099 1 1 13 ARG HB3 H -4.685 0.469 12.044 1.00 . A B . 13 ARG HB3 1 1 13 10100 1 1 13 ARG HD2 H -3.373 3.514 10.329 1.00 . A B . 13 ARG HD2 1 1 13 10101 1 1 13 ARG HD3 H -4.224 4.150 11.737 1.00 . A B . 13 ARG HD3 1 1 13 10102 1 1 13 ARG HE H -1.493 3.703 12.303 1.00 . A B . 13 ARG HE 1 1 13 10103 1 1 13 ARG HG2 H -3.459 2.265 13.067 1.00 . A B . 13 ARG HG2 1 1 13 10104 1 1 13 ARG HG3 H -2.549 1.642 11.698 1.00 . A B . 13 ARG HG3 1 1 13 10105 1 1 13 ARG HH11 H -3.632 6.058 10.713 1.00 . A B . 13 ARG HH11 1 1 13 10106 1 1 13 ARG HH12 H -2.524 7.338 10.872 1.00 . A B . 13 ARG HH12 1 1 13 10107 1 1 13 ARG HH21 H -0.046 5.440 12.536 1.00 . A B . 13 ARG HH21 1 1 13 10108 1 1 13 ARG HH22 H -0.440 6.999 11.946 1.00 . A B . 13 ARG HH22 1 1 13 10109 1 1 13 ARG N N -5.848 0.283 9.673 1.00 . A B . 13 ARG N 1 1 13 10110 1 1 13 ARG NE N -2.146 4.270 11.833 1.00 . A B . 13 ARG NE 1 1 13 10111 1 1 13 ARG NH1 N -2.733 6.369 11.033 1.00 . A B . 13 ARG NH1 1 1 13 10112 1 1 13 ARG NH2 N -0.701 6.038 12.066 1.00 . A B . 13 ARG NH2 1 1 13 10113 1 1 13 ARG O O -2.533 1.331 9.105 1.00 . A B . 13 ARG O 1 1 13 10114 1 1 14 GLU C C -1.992 -0.931 7.282 1.00 . A B . 14 GLU C 1 1 13 10115 1 1 14 GLU CA C -2.149 -1.376 8.719 1.00 . A B . 14 GLU CA 1 1 13 10116 1 1 14 GLU CB C -2.239 -2.901 8.775 1.00 . A B . 14 GLU CB 1 1 13 10117 1 1 14 GLU CD C -0.760 -3.212 10.752 1.00 . A B . 14 GLU CD 1 1 13 10118 1 1 14 GLU CG C -2.105 -3.494 10.156 1.00 . A B . 14 GLU CG 1 1 13 10119 1 1 14 GLU H H -4.082 -1.319 9.581 1.00 . A B . 14 GLU H 1 1 13 10120 1 1 14 GLU HA H -1.271 -1.048 9.259 1.00 . A B . 14 GLU HA 1 1 13 10121 1 1 14 GLU HB2 H -3.202 -3.192 8.383 1.00 . A B . 14 GLU HB2 1 1 13 10122 1 1 14 GLU HB3 H -1.472 -3.317 8.140 1.00 . A B . 14 GLU HB3 1 1 13 10123 1 1 14 GLU HG2 H -2.867 -3.074 10.795 1.00 . A B . 14 GLU HG2 1 1 13 10124 1 1 14 GLU HG3 H -2.239 -4.564 10.093 1.00 . A B . 14 GLU HG3 1 1 13 10125 1 1 14 GLU N N -3.331 -0.744 9.310 1.00 . A B . 14 GLU N 1 1 13 10126 1 1 14 GLU O O -0.878 -0.688 6.831 1.00 . A B . 14 GLU O 1 1 13 10127 1 1 14 GLU OE1 O 0.238 -3.725 10.235 1.00 . A B . 14 GLU OE1 1 1 13 10128 1 1 14 GLU OE2 O -0.674 -2.487 11.766 1.00 . A B . 14 GLU OE2 1 1 13 10129 1 1 15 LEU C C -2.483 1.072 5.151 1.00 . A B . 15 LEU C 1 1 13 10130 1 1 15 LEU CA C -3.087 -0.312 5.176 1.00 . A B . 15 LEU CA 1 1 13 10131 1 1 15 LEU CB C -4.505 -0.160 4.573 1.00 . A B . 15 LEU CB 1 1 13 10132 1 1 15 LEU CD1 C -6.777 -1.054 4.174 1.00 . A B . 15 LEU CD1 1 1 13 10133 1 1 15 LEU CD2 C -4.906 -1.912 2.871 1.00 . A B . 15 LEU CD2 1 1 13 10134 1 1 15 LEU CG C -5.298 -1.401 4.227 1.00 . A B . 15 LEU CG 1 1 13 10135 1 1 15 LEU H H -3.985 -0.964 7.010 1.00 . A B . 15 LEU H 1 1 13 10136 1 1 15 LEU HA H -2.530 -1.086 4.658 1.00 . A B . 15 LEU HA 1 1 13 10137 1 1 15 LEU HB2 H -5.095 0.405 5.279 1.00 . A B . 15 LEU HB2 1 1 13 10138 1 1 15 LEU HB3 H -4.410 0.438 3.679 1.00 . A B . 15 LEU HB3 1 1 13 10139 1 1 15 LEU HD11 H -6.945 -0.281 3.439 1.00 . A B . 15 LEU HD11 1 1 13 10140 1 1 15 LEU HD12 H -7.100 -0.716 5.148 1.00 . A B . 15 LEU HD12 1 1 13 10141 1 1 15 LEU HD13 H -7.338 -1.937 3.906 1.00 . A B . 15 LEU HD13 1 1 13 10142 1 1 15 LEU HD21 H -5.261 -2.931 2.814 1.00 . A B . 15 LEU HD21 1 1 13 10143 1 1 15 LEU HD22 H -3.838 -1.901 2.731 1.00 . A B . 15 LEU HD22 1 1 13 10144 1 1 15 LEU HD23 H -5.383 -1.318 2.107 1.00 . A B . 15 LEU HD23 1 1 13 10145 1 1 15 LEU HG H -5.113 -2.174 4.958 1.00 . A B . 15 LEU HG 1 1 13 10146 1 1 15 LEU N N -3.128 -0.773 6.571 1.00 . A B . 15 LEU N 1 1 13 10147 1 1 15 LEU O O -1.592 1.376 4.362 1.00 . A B . 15 LEU O 1 1 13 10148 1 1 16 VAL C C -1.059 3.340 6.675 1.00 . A B . 16 VAL C 1 1 13 10149 1 1 16 VAL CA C -2.521 3.249 6.240 1.00 . A B . 16 VAL CA 1 1 13 10150 1 1 16 VAL CB C -3.429 3.976 7.265 1.00 . A B . 16 VAL CB 1 1 13 10151 1 1 16 VAL CG1 C -3.135 5.459 7.317 1.00 . A B . 16 VAL CG1 1 1 13 10152 1 1 16 VAL CG2 C -4.892 3.737 6.949 1.00 . A B . 16 VAL CG2 1 1 13 10153 1 1 16 VAL H H -3.566 1.479 6.745 1.00 . A B . 16 VAL H 1 1 13 10154 1 1 16 VAL HA H -2.627 3.724 5.277 1.00 . A B . 16 VAL HA 1 1 13 10155 1 1 16 VAL HB H -3.225 3.557 8.239 1.00 . A B . 16 VAL HB 1 1 13 10156 1 1 16 VAL HG11 H -2.103 5.608 7.596 1.00 . A B . 16 VAL HG11 1 1 13 10157 1 1 16 VAL HG12 H -3.777 5.933 8.043 1.00 . A B . 16 VAL HG12 1 1 13 10158 1 1 16 VAL HG13 H -3.308 5.896 6.345 1.00 . A B . 16 VAL HG13 1 1 13 10159 1 1 16 VAL HG21 H -5.116 4.132 5.970 1.00 . A B . 16 VAL HG21 1 1 13 10160 1 1 16 VAL HG22 H -5.504 4.232 7.687 1.00 . A B . 16 VAL HG22 1 1 13 10161 1 1 16 VAL HG23 H -5.096 2.677 6.966 1.00 . A B . 16 VAL HG23 1 1 13 10162 1 1 16 VAL N N -2.920 1.861 6.108 1.00 . A B . 16 VAL N 1 1 13 10163 1 1 16 VAL O O -0.357 4.306 6.357 1.00 . A B . 16 VAL O 1 1 13 10164 1 1 17 ARG C C 1.708 2.173 6.679 1.00 . A B . 17 ARG C 1 1 13 10165 1 1 17 ARG CA C 0.750 2.253 7.839 1.00 . A B . 17 ARG CA 1 1 13 10166 1 1 17 ARG CB C 0.961 1.120 8.843 1.00 . A B . 17 ARG CB 1 1 13 10167 1 1 17 ARG CD C 0.656 0.299 11.186 1.00 . A B . 17 ARG CD 1 1 13 10168 1 1 17 ARG CG C 0.318 1.382 10.192 1.00 . A B . 17 ARG CG 1 1 13 10169 1 1 17 ARG CZ C 2.732 -0.842 11.930 1.00 . A B . 17 ARG CZ 1 1 13 10170 1 1 17 ARG H H -1.249 1.627 7.639 1.00 . A B . 17 ARG H 1 1 13 10171 1 1 17 ARG HA H 0.949 3.186 8.335 1.00 . A B . 17 ARG HA 1 1 13 10172 1 1 17 ARG HB2 H 0.506 0.231 8.433 1.00 . A B . 17 ARG HB2 1 1 13 10173 1 1 17 ARG HB3 H 2.008 0.919 8.996 1.00 . A B . 17 ARG HB3 1 1 13 10174 1 1 17 ARG HD2 H 0.131 0.496 12.110 1.00 . A B . 17 ARG HD2 1 1 13 10175 1 1 17 ARG HD3 H 0.336 -0.652 10.789 1.00 . A B . 17 ARG HD3 1 1 13 10176 1 1 17 ARG HE H 2.584 1.074 11.288 1.00 . A B . 17 ARG HE 1 1 13 10177 1 1 17 ARG HG2 H 0.665 2.331 10.574 1.00 . A B . 17 ARG HG2 1 1 13 10178 1 1 17 ARG HG3 H -0.755 1.420 10.062 1.00 . A B . 17 ARG HG3 1 1 13 10179 1 1 17 ARG HH11 H 1.083 -2.076 11.941 1.00 . A B . 17 ARG HH11 1 1 13 10180 1 1 17 ARG HH12 H 2.531 -2.806 12.459 1.00 . A B . 17 ARG HH12 1 1 13 10181 1 1 17 ARG HH21 H 4.577 0.045 12.056 1.00 . A B . 17 ARG HH21 1 1 13 10182 1 1 17 ARG HH22 H 4.527 -1.599 12.520 1.00 . A B . 17 ARG HH22 1 1 13 10183 1 1 17 ARG N N -0.614 2.333 7.392 1.00 . A B . 17 ARG N 1 1 13 10184 1 1 17 ARG NE N 2.098 0.235 11.463 1.00 . A B . 17 ARG NE 1 1 13 10185 1 1 17 ARG NH1 N 2.072 -1.975 12.129 1.00 . A B . 17 ARG NH1 1 1 13 10186 1 1 17 ARG NH2 N 4.031 -0.789 12.192 1.00 . A B . 17 ARG NH2 1 1 13 10187 1 1 17 ARG O O 2.648 2.954 6.603 1.00 . A B . 17 ARG O 1 1 13 10188 1 1 18 ALA C C 2.101 2.326 3.632 1.00 . A B . 18 ALA C 1 1 13 10189 1 1 18 ALA CA C 2.291 1.153 4.589 1.00 . A B . 18 ALA CA 1 1 13 10190 1 1 18 ALA CB C 2.039 -0.157 3.883 1.00 . A B . 18 ALA CB 1 1 13 10191 1 1 18 ALA H H 0.647 0.727 5.893 1.00 . A B . 18 ALA H 1 1 13 10192 1 1 18 ALA HA H 3.313 1.166 4.938 1.00 . A B . 18 ALA HA 1 1 13 10193 1 1 18 ALA HB1 H 2.720 -0.253 3.051 1.00 . A B . 18 ALA HB1 1 1 13 10194 1 1 18 ALA HB2 H 1.022 -0.176 3.520 1.00 . A B . 18 ALA HB2 1 1 13 10195 1 1 18 ALA HB3 H 2.191 -0.975 4.571 1.00 . A B . 18 ALA HB3 1 1 13 10196 1 1 18 ALA N N 1.437 1.293 5.758 1.00 . A B . 18 ALA N 1 1 13 10197 1 1 18 ALA O O 3.064 2.828 3.070 1.00 . A B . 18 ALA O 1 1 13 10198 1 1 19 GLN C C 1.246 5.157 2.991 1.00 . A B . 19 GLN C 1 1 13 10199 1 1 19 GLN CA C 0.514 3.886 2.604 1.00 . A B . 19 GLN CA 1 1 13 10200 1 1 19 GLN CB C -0.986 4.098 2.623 1.00 . A B . 19 GLN CB 1 1 13 10201 1 1 19 GLN CD C -3.201 3.031 2.031 1.00 . A B . 19 GLN CD 1 1 13 10202 1 1 19 GLN CG C -1.728 3.128 1.739 1.00 . A B . 19 GLN CG 1 1 13 10203 1 1 19 GLN H H 0.132 2.320 3.970 1.00 . A B . 19 GLN H 1 1 13 10204 1 1 19 GLN HA H 0.811 3.623 1.596 1.00 . A B . 19 GLN HA 1 1 13 10205 1 1 19 GLN HB2 H -1.323 3.957 3.640 1.00 . A B . 19 GLN HB2 1 1 13 10206 1 1 19 GLN HB3 H -1.209 5.109 2.321 1.00 . A B . 19 GLN HB3 1 1 13 10207 1 1 19 GLN HE21 H -3.220 1.184 1.347 1.00 . A B . 19 GLN HE21 1 1 13 10208 1 1 19 GLN HE22 H -4.732 1.806 1.906 1.00 . A B . 19 GLN HE22 1 1 13 10209 1 1 19 GLN HG2 H -1.617 3.456 0.716 1.00 . A B . 19 GLN HG2 1 1 13 10210 1 1 19 GLN HG3 H -1.281 2.153 1.864 1.00 . A B . 19 GLN HG3 1 1 13 10211 1 1 19 GLN N N 0.859 2.764 3.477 1.00 . A B . 19 GLN N 1 1 13 10212 1 1 19 GLN NE2 N -3.774 1.894 1.733 1.00 . A B . 19 GLN NE2 1 1 13 10213 1 1 19 GLN O O 2.039 5.676 2.209 1.00 . A B . 19 GLN O 1 1 13 10214 1 1 19 GLN OE1 O -3.821 3.965 2.503 1.00 . A B . 19 GLN OE1 1 1 13 10215 1 1 20 ILE C C 3.179 6.684 4.755 1.00 . A B . 20 ILE C 1 1 13 10216 1 1 20 ILE CA C 1.659 6.846 4.681 1.00 . A B . 20 ILE CA 1 1 13 10217 1 1 20 ILE CB C 1.067 7.353 6.034 1.00 . A B . 20 ILE CB 1 1 13 10218 1 1 20 ILE CD1 C -1.083 8.286 7.082 1.00 . A B . 20 ILE CD1 1 1 13 10219 1 1 20 ILE CG1 C -0.415 7.714 5.846 1.00 . A B . 20 ILE CG1 1 1 13 10220 1 1 20 ILE CG2 C 1.848 8.561 6.576 1.00 . A B . 20 ILE CG2 1 1 13 10221 1 1 20 ILE H H 0.396 5.141 4.791 1.00 . A B . 20 ILE H 1 1 13 10222 1 1 20 ILE HA H 1.465 7.588 3.920 1.00 . A B . 20 ILE HA 1 1 13 10223 1 1 20 ILE HB H 1.138 6.548 6.748 1.00 . A B . 20 ILE HB 1 1 13 10224 1 1 20 ILE HD11 H -1.040 7.565 7.884 1.00 . A B . 20 ILE HD11 1 1 13 10225 1 1 20 ILE HD12 H -2.114 8.517 6.861 1.00 . A B . 20 ILE HD12 1 1 13 10226 1 1 20 ILE HD13 H -0.566 9.186 7.382 1.00 . A B . 20 ILE HD13 1 1 13 10227 1 1 20 ILE HG12 H -0.500 8.451 5.061 1.00 . A B . 20 ILE HG12 1 1 13 10228 1 1 20 ILE HG13 H -0.957 6.826 5.554 1.00 . A B . 20 ILE HG13 1 1 13 10229 1 1 20 ILE HG21 H 2.877 8.278 6.742 1.00 . A B . 20 ILE HG21 1 1 13 10230 1 1 20 ILE HG22 H 1.408 8.889 7.506 1.00 . A B . 20 ILE HG22 1 1 13 10231 1 1 20 ILE HG23 H 1.807 9.366 5.858 1.00 . A B . 20 ILE HG23 1 1 13 10232 1 1 20 ILE N N 1.020 5.626 4.206 1.00 . A B . 20 ILE N 1 1 13 10233 1 1 20 ILE O O 3.915 7.642 4.524 1.00 . A B . 20 ILE O 1 1 13 10234 1 1 21 ALA C C 5.670 5.471 3.637 1.00 . A B . 21 ALA C 1 1 13 10235 1 1 21 ALA CA C 5.084 5.193 5.012 1.00 . A B . 21 ALA CA 1 1 13 10236 1 1 21 ALA CB C 5.387 3.769 5.440 1.00 . A B . 21 ALA CB 1 1 13 10237 1 1 21 ALA H H 3.018 4.726 5.171 1.00 . A B . 21 ALA H 1 1 13 10238 1 1 21 ALA HA H 5.533 5.877 5.717 1.00 . A B . 21 ALA HA 1 1 13 10239 1 1 21 ALA HB1 H 4.970 3.589 6.418 1.00 . A B . 21 ALA HB1 1 1 13 10240 1 1 21 ALA HB2 H 6.457 3.622 5.468 1.00 . A B . 21 ALA HB2 1 1 13 10241 1 1 21 ALA HB3 H 4.949 3.083 4.729 1.00 . A B . 21 ALA HB3 1 1 13 10242 1 1 21 ALA N N 3.647 5.459 5.001 1.00 . A B . 21 ALA N 1 1 13 10243 1 1 21 ALA O O 6.740 6.011 3.526 1.00 . A B . 21 ALA O 1 1 13 10244 1 1 22 ILE C C 5.216 6.900 0.924 1.00 . A B . 22 ILE C 1 1 13 10245 1 1 22 ILE CA C 5.311 5.396 1.214 1.00 . A B . 22 ILE CA 1 1 13 10246 1 1 22 ILE CB C 4.407 4.627 0.204 1.00 . A B . 22 ILE CB 1 1 13 10247 1 1 22 ILE CD1 C 5.941 2.612 0.019 1.00 . A B . 22 ILE CD1 1 1 13 10248 1 1 22 ILE CG1 C 4.564 3.113 0.363 1.00 . A B . 22 ILE CG1 1 1 13 10249 1 1 22 ILE CG2 C 4.724 5.038 -1.226 1.00 . A B . 22 ILE CG2 1 1 13 10250 1 1 22 ILE H H 4.070 4.657 2.762 1.00 . A B . 22 ILE H 1 1 13 10251 1 1 22 ILE HA H 6.334 5.074 1.076 1.00 . A B . 22 ILE HA 1 1 13 10252 1 1 22 ILE HB H 3.381 4.896 0.407 1.00 . A B . 22 ILE HB 1 1 13 10253 1 1 22 ILE HD11 H 6.112 2.866 -1.016 1.00 . A B . 22 ILE HD11 1 1 13 10254 1 1 22 ILE HD12 H 5.989 1.541 0.140 1.00 . A B . 22 ILE HD12 1 1 13 10255 1 1 22 ILE HD13 H 6.678 3.089 0.648 1.00 . A B . 22 ILE HD13 1 1 13 10256 1 1 22 ILE HG12 H 4.361 2.843 1.389 1.00 . A B . 22 ILE HG12 1 1 13 10257 1 1 22 ILE HG13 H 3.855 2.615 -0.283 1.00 . A B . 22 ILE HG13 1 1 13 10258 1 1 22 ILE HG21 H 4.151 4.431 -1.911 1.00 . A B . 22 ILE HG21 1 1 13 10259 1 1 22 ILE HG22 H 5.779 4.896 -1.417 1.00 . A B . 22 ILE HG22 1 1 13 10260 1 1 22 ILE HG23 H 4.467 6.077 -1.365 1.00 . A B . 22 ILE HG23 1 1 13 10261 1 1 22 ILE N N 4.920 5.124 2.596 1.00 . A B . 22 ILE N 1 1 13 10262 1 1 22 ILE O O 6.012 7.463 0.160 1.00 . A B . 22 ILE O 1 1 13 10263 1 1 23 CYS C C 5.150 9.799 2.025 1.00 . A B . 23 CYS C 1 1 13 10264 1 1 23 CYS CA C 4.061 8.976 1.343 1.00 . A B . 23 CYS CA 1 1 13 10265 1 1 23 CYS CB C 2.743 9.362 1.970 1.00 . A B . 23 CYS CB 1 1 13 10266 1 1 23 CYS H H 3.675 7.035 2.150 1.00 . A B . 23 CYS H 1 1 13 10267 1 1 23 CYS HA H 4.018 9.184 0.286 1.00 . A B . 23 CYS HA 1 1 13 10268 1 1 23 CYS HB2 H 2.826 9.117 3.021 1.00 . A B . 23 CYS HB2 1 1 13 10269 1 1 23 CYS HB3 H 2.639 10.424 1.884 1.00 . A B . 23 CYS HB3 1 1 13 10270 1 1 23 CYS N N 4.275 7.548 1.561 1.00 . A B . 23 CYS N 1 1 13 10271 1 1 23 CYS O O 5.479 10.909 1.603 1.00 . A B . 23 CYS O 1 1 13 10272 1 1 23 CYS SG S 1.281 8.486 1.322 1.00 . A B . 23 CYS SG 1 1 13 10273 1 1 24 GLY C C 7.972 8.924 3.893 1.00 . A B . 24 GLY C 1 1 13 10274 1 1 24 GLY CA C 6.786 9.842 3.743 1.00 . A B . 24 GLY CA 1 1 13 10275 1 1 24 GLY H H 5.342 8.358 3.273 1.00 . A B . 24 GLY H 1 1 13 10276 1 1 24 GLY HA2 H 7.093 10.733 3.217 1.00 . A B . 24 GLY HA2 1 1 13 10277 1 1 24 GLY HA3 H 6.430 10.117 4.726 1.00 . A B . 24 GLY HA3 1 1 13 10278 1 1 24 GLY N N 5.722 9.223 3.018 1.00 . A B . 24 GLY N 1 1 13 10279 1 1 24 GLY O O 8.408 8.642 5.007 1.00 . A B . 24 GLY O 1 1 13 10280 1 1 25 MET C C 10.803 8.304 2.100 1.00 . A B . 25 MET C 1 1 13 10281 1 1 25 MET CA C 9.668 7.581 2.780 1.00 . A B . 25 MET CA 1 1 13 10282 1 1 25 MET CB C 9.417 6.168 2.158 1.00 . A B . 25 MET CB 1 1 13 10283 1 1 25 MET CE C 11.164 5.401 -0.514 1.00 . A B . 25 MET CE 1 1 13 10284 1 1 25 MET CG C 8.799 6.116 0.747 1.00 . A B . 25 MET CG 1 1 13 10285 1 1 25 MET H H 7.992 8.614 1.942 1.00 . A B . 25 MET H 1 1 13 10286 1 1 25 MET HA H 9.939 7.466 3.819 1.00 . A B . 25 MET HA 1 1 13 10287 1 1 25 MET HB2 H 10.360 5.644 2.118 1.00 . A B . 25 MET HB2 1 1 13 10288 1 1 25 MET HB3 H 8.766 5.627 2.830 1.00 . A B . 25 MET HB3 1 1 13 10289 1 1 25 MET HE1 H 11.646 5.444 0.451 1.00 . A B . 25 MET HE1 1 1 13 10290 1 1 25 MET HE2 H 11.894 5.587 -1.288 1.00 . A B . 25 MET HE2 1 1 13 10291 1 1 25 MET HE3 H 10.730 4.422 -0.659 1.00 . A B . 25 MET HE3 1 1 13 10292 1 1 25 MET HG2 H 8.507 5.097 0.543 1.00 . A B . 25 MET HG2 1 1 13 10293 1 1 25 MET HG3 H 7.912 6.736 0.748 1.00 . A B . 25 MET HG3 1 1 13 10294 1 1 25 MET N N 8.463 8.422 2.782 1.00 . A B . 25 MET N 1 1 13 10295 1 1 25 MET O O 11.769 7.694 1.649 1.00 . A B . 25 MET O 1 1 13 10296 1 1 25 MET SD S 9.878 6.650 -0.603 1.00 . A B . 25 MET SD 1 1 13 10297 1 1 26 SER C C 13.113 10.498 2.007 1.00 . A B . 26 SER C 1 1 13 10298 1 1 26 SER CA C 11.651 10.540 1.483 1.00 . A B . 26 SER CA 1 1 13 10299 1 1 26 SER CB C 11.071 11.934 1.564 1.00 . A B . 26 SER CB 1 1 13 10300 1 1 26 SER H H 10.048 10.022 2.739 1.00 . A B . 26 SER H 1 1 13 10301 1 1 26 SER HA H 11.663 10.241 0.447 1.00 . A B . 26 SER HA 1 1 13 10302 1 1 26 SER HB2 H 11.160 12.302 2.575 1.00 . A B . 26 SER HB2 1 1 13 10303 1 1 26 SER HB3 H 11.604 12.588 0.890 1.00 . A B . 26 SER HB3 1 1 13 10304 1 1 26 SER HG H 9.543 11.088 0.690 1.00 . A B . 26 SER HG 1 1 13 10305 1 1 26 SER N N 10.743 9.626 2.171 1.00 . A B . 26 SER N 1 1 13 10306 1 1 26 SER O O 13.939 11.366 1.693 1.00 . A B . 26 SER O 1 1 13 10307 1 1 26 SER OG O 9.691 11.906 1.184 1.00 . A B . 26 SER OG 1 1 13 10308 1 1 27 THR C C 15.482 8.495 2.048 1.00 . A B . 27 THR C 1 1 13 10309 1 1 27 THR CA C 14.766 9.214 3.197 1.00 . A B . 27 THR CA 1 1 13 10310 1 1 27 THR CB C 14.738 8.334 4.445 1.00 . A B . 27 THR CB 1 1 13 10311 1 1 27 THR CG2 C 16.084 8.347 5.159 1.00 . A B . 27 THR CG2 1 1 13 10312 1 1 27 THR H H 12.694 8.864 2.993 1.00 . A B . 27 THR H 1 1 13 10313 1 1 27 THR HA H 15.251 10.150 3.390 1.00 . A B . 27 THR HA 1 1 13 10314 1 1 27 THR HB H 14.495 7.328 4.139 1.00 . A B . 27 THR HB 1 1 13 10315 1 1 27 THR HG1 H 13.381 9.657 4.944 1.00 . A B . 27 THR HG1 1 1 13 10316 1 1 27 THR HG21 H 16.849 7.978 4.492 1.00 . A B . 27 THR HG21 1 1 13 10317 1 1 27 THR HG22 H 16.032 7.715 6.033 1.00 . A B . 27 THR HG22 1 1 13 10318 1 1 27 THR HG23 H 16.322 9.357 5.458 1.00 . A B . 27 THR HG23 1 1 13 10319 1 1 27 THR N N 13.424 9.476 2.756 1.00 . A B . 27 THR N 1 1 13 10320 1 1 27 THR O O 16.702 8.416 1.973 1.00 . A B . 27 THR O 1 1 13 10321 1 1 27 THR OG1 O 13.727 8.844 5.339 1.00 . A B . 27 THR OG1 1 1 13 10322 1 1 28 TRP C C 14.188 7.918 -1.163 1.00 . A B . 28 TRP C 1 1 13 10323 1 1 28 TRP CA C 15.079 7.371 -0.048 1.00 . A B . 28 TRP CA 1 1 13 10324 1 1 28 TRP CB C 14.924 5.844 0.106 1.00 . A B . 28 TRP CB 1 1 13 10325 1 1 28 TRP CD1 C 14.732 4.289 -1.926 1.00 . A B . 28 TRP CD1 1 1 13 10326 1 1 28 TRP CD2 C 16.827 4.916 -1.447 1.00 . A B . 28 TRP CD2 1 1 13 10327 1 1 28 TRP CE2 C 16.858 4.072 -2.569 1.00 . A B . 28 TRP CE2 1 1 13 10328 1 1 28 TRP CE3 C 18.029 5.437 -0.963 1.00 . A B . 28 TRP CE3 1 1 13 10329 1 1 28 TRP CG C 15.455 5.038 -1.046 1.00 . A B . 28 TRP CG 1 1 13 10330 1 1 28 TRP CH2 C 19.202 4.262 -2.720 1.00 . A B . 28 TRP CH2 1 1 13 10331 1 1 28 TRP CZ2 C 18.042 3.736 -3.213 1.00 . A B . 28 TRP CZ2 1 1 13 10332 1 1 28 TRP CZ3 C 19.205 5.104 -1.606 1.00 . A B . 28 TRP CZ3 1 1 13 10333 1 1 28 TRP H H 13.722 8.165 1.347 1.00 . A B . 28 TRP H 1 1 13 10334 1 1 28 TRP HA H 16.109 7.624 -0.248 1.00 . A B . 28 TRP HA 1 1 13 10335 1 1 28 TRP HB2 H 15.456 5.529 0.990 1.00 . A B . 28 TRP HB2 1 1 13 10336 1 1 28 TRP HB3 H 13.876 5.610 0.226 1.00 . A B . 28 TRP HB3 1 1 13 10337 1 1 28 TRP HD1 H 13.660 4.177 -1.893 1.00 . A B . 28 TRP HD1 1 1 13 10338 1 1 28 TRP HE1 H 15.287 3.110 -3.571 1.00 . A B . 28 TRP HE1 1 1 13 10339 1 1 28 TRP HE3 H 18.048 6.089 -0.102 1.00 . A B . 28 TRP HE3 1 1 13 10340 1 1 28 TRP HH2 H 20.145 4.027 -3.191 1.00 . A B . 28 TRP HH2 1 1 13 10341 1 1 28 TRP HZ2 H 18.056 3.089 -4.077 1.00 . A B . 28 TRP HZ2 1 1 13 10342 1 1 28 TRP HZ3 H 20.144 5.497 -1.248 1.00 . A B . 28 TRP HZ3 1 1 13 10343 1 1 28 TRP N N 14.674 8.025 1.156 1.00 . A B . 28 TRP N 1 1 13 10344 1 1 28 TRP NE1 N 15.569 3.701 -2.840 1.00 . A B . 28 TRP NE1 1 1 13 10345 1 1 28 TRP O O 13.155 8.532 -0.878 1.00 . A B . 28 TRP O 1 1 13 10346 1 1 29 SER C C 12.684 7.281 -3.851 1.00 . A B . 29 SER C 1 1 13 10347 1 1 29 SER CA C 13.822 8.243 -3.512 1.00 . A B . 29 SER CA 1 1 13 10348 1 1 29 SER CB C 14.744 8.426 -4.697 1.00 . A B . 29 SER CB 1 1 13 10349 1 1 29 SER H H 15.413 7.254 -2.573 1.00 . A B . 29 SER H 1 1 13 10350 1 1 29 SER HA H 13.405 9.201 -3.240 1.00 . A B . 29 SER HA 1 1 13 10351 1 1 29 SER HB2 H 15.083 7.457 -5.035 1.00 . A B . 29 SER HB2 1 1 13 10352 1 1 29 SER HB3 H 14.218 8.929 -5.494 1.00 . A B . 29 SER HB3 1 1 13 10353 1 1 29 SER HG H 15.582 9.824 -3.629 1.00 . A B . 29 SER HG 1 1 13 10354 1 1 29 SER N N 14.585 7.747 -2.391 1.00 . A B . 29 SER N 1 1 13 10355 1 1 29 SER O O 12.913 6.193 -4.381 1.00 . A B . 29 SER O 1 1 13 10356 1 1 29 SER OG O 15.875 9.213 -4.320 1.00 . A B . 29 SER OG 1 1 13 10357 1 1 30 NH2 HN1 H 11.367 8.524 -3.070 1.00 . A B . 30 NH2 HN1 1 1 13 10358 1 1 30 NH2 HN2 H 10.733 7.028 -3.643 1.00 . A B . 30 NH2 HN2 1 1 13 10359 1 1 30 NH2 N N 11.479 7.644 -3.486 1.00 . A B . 30 NH2 N 1 1 13 10360 2 2 1 PCA C C -11.986 2.218 -7.622 1.00 . B A . 1 PCA C 1 1 13 10361 2 2 1 PCA CA C -13.244 2.996 -7.973 1.00 . B A . 1 PCA CA 1 1 13 10362 2 2 1 PCA CB C -13.988 3.372 -6.712 1.00 . B A . 1 PCA CB 1 1 13 10363 2 2 1 PCA CD C -15.257 1.884 -8.078 1.00 . B A . 1 PCA CD 1 1 13 10364 2 2 1 PCA CG C -15.333 2.688 -6.794 1.00 . B A . 1 PCA CG 1 1 13 10365 2 2 1 PCA HA H -12.951 3.876 -8.526 1.00 . B A . 1 PCA HA 1 1 13 10366 2 2 1 PCA HB2 H -13.438 3.021 -5.837 1.00 . B A . 1 PCA HB2 1 1 13 10367 2 2 1 PCA HB3 H -14.115 4.453 -6.662 1.00 . B A . 1 PCA HB3 1 1 13 10368 2 2 1 PCA HG2 H -15.472 2.040 -5.929 1.00 . B A . 1 PCA HG2 1 1 13 10369 2 2 1 PCA HG3 H -16.132 3.423 -6.880 1.00 . B A . 1 PCA HG3 1 1 13 10370 2 2 1 PCA N N -14.159 2.174 -8.777 1.00 . B A . 1 PCA N 1 1 13 10371 2 2 1 PCA O O -12.029 1.235 -6.854 1.00 . B A . 1 PCA O 1 1 13 10372 2 2 1 PCA OE O -16.106 1.058 -8.407 1.00 . B A . 1 PCA OE 1 1 13 10373 2 2 2 LEU C C -9.106 2.074 -6.571 1.00 . B A . 2 LEU C 1 1 13 10374 2 2 2 LEU CA C -9.610 1.946 -8.005 1.00 . B A . 2 LEU CA 1 1 13 10375 2 2 2 LEU CB C -8.509 2.384 -9.019 1.00 . B A . 2 LEU CB 1 1 13 10376 2 2 2 LEU CD1 C -6.712 3.942 -9.815 1.00 . B A . 2 LEU CD1 1 1 13 10377 2 2 2 LEU CD2 C -8.944 4.881 -9.314 1.00 . B A . 2 LEU CD2 1 1 13 10378 2 2 2 LEU CG C -7.927 3.819 -8.917 1.00 . B A . 2 LEU CG 1 1 13 10379 2 2 2 LEU H H -10.956 3.398 -8.802 1.00 . B A . 2 LEU H 1 1 13 10380 2 2 2 LEU HA H -9.816 0.898 -8.164 1.00 . B A . 2 LEU HA 1 1 13 10381 2 2 2 LEU HB2 H -7.683 1.696 -8.919 1.00 . B A . 2 LEU HB2 1 1 13 10382 2 2 2 LEU HB3 H -8.917 2.260 -10.012 1.00 . B A . 2 LEU HB3 1 1 13 10383 2 2 2 LEU HD11 H -6.997 3.738 -10.837 1.00 . B A . 2 LEU HD11 1 1 13 10384 2 2 2 LEU HD12 H -5.959 3.233 -9.502 1.00 . B A . 2 LEU HD12 1 1 13 10385 2 2 2 LEU HD13 H -6.316 4.944 -9.746 1.00 . B A . 2 LEU HD13 1 1 13 10386 2 2 2 LEU HD21 H -9.813 4.805 -8.678 1.00 . B A . 2 LEU HD21 1 1 13 10387 2 2 2 LEU HD22 H -9.236 4.732 -10.343 1.00 . B A . 2 LEU HD22 1 1 13 10388 2 2 2 LEU HD23 H -8.503 5.860 -9.204 1.00 . B A . 2 LEU HD23 1 1 13 10389 2 2 2 LEU HG H -7.610 4.000 -7.900 1.00 . B A . 2 LEU HG 1 1 13 10390 2 2 2 LEU N N -10.880 2.624 -8.203 1.00 . B A . 2 LEU N 1 1 13 10391 2 2 2 LEU O O -8.498 1.153 -6.056 1.00 . B A . 2 LEU O 1 1 13 10392 2 2 3 TYR C C -9.686 2.574 -3.558 1.00 . B A . 3 TYR C 1 1 13 10393 2 2 3 TYR CA C -8.952 3.438 -4.554 1.00 . B A . 3 TYR CA 1 1 13 10394 2 2 3 TYR CB C -9.101 4.900 -4.170 1.00 . B A . 3 TYR CB 1 1 13 10395 2 2 3 TYR CD1 C -7.963 6.199 -6.016 1.00 . B A . 3 TYR CD1 1 1 13 10396 2 2 3 TYR CD2 C -7.038 6.266 -3.833 1.00 . B A . 3 TYR CD2 1 1 13 10397 2 2 3 TYR CE1 C -6.958 7.028 -6.467 1.00 . B A . 3 TYR CE1 1 1 13 10398 2 2 3 TYR CE2 C -6.041 7.091 -4.274 1.00 . B A . 3 TYR CE2 1 1 13 10399 2 2 3 TYR CG C -8.016 5.804 -4.689 1.00 . B A . 3 TYR CG 1 1 13 10400 2 2 3 TYR CZ C -5.999 7.469 -5.582 1.00 . B A . 3 TYR CZ 1 1 13 10401 2 2 3 TYR H H -9.941 3.871 -6.388 1.00 . B A . 3 TYR H 1 1 13 10402 2 2 3 TYR HA H -7.903 3.181 -4.511 1.00 . B A . 3 TYR HA 1 1 13 10403 2 2 3 TYR HB2 H -10.046 5.268 -4.541 1.00 . B A . 3 TYR HB2 1 1 13 10404 2 2 3 TYR HB3 H -9.109 4.962 -3.094 1.00 . B A . 3 TYR HB3 1 1 13 10405 2 2 3 TYR HD1 H -8.718 5.846 -6.703 1.00 . B A . 3 TYR HD1 1 1 13 10406 2 2 3 TYR HD2 H -7.066 5.969 -2.795 1.00 . B A . 3 TYR HD2 1 1 13 10407 2 2 3 TYR HE1 H -6.928 7.329 -7.505 1.00 . B A . 3 TYR HE1 1 1 13 10408 2 2 3 TYR HE2 H -5.288 7.447 -3.588 1.00 . B A . 3 TYR HE2 1 1 13 10409 2 2 3 TYR HH H -4.162 7.952 -5.628 1.00 . B A . 3 TYR HH 1 1 13 10410 2 2 3 TYR N N -9.399 3.193 -5.926 1.00 . B A . 3 TYR N 1 1 13 10411 2 2 3 TYR O O -9.068 1.900 -2.735 1.00 . B A . 3 TYR O 1 1 13 10412 2 2 3 TYR OH O -4.984 8.295 -6.010 1.00 . B A . 3 TYR OH 1 1 13 10413 2 2 4 SER C C -11.516 0.314 -2.898 1.00 . B A . 4 SER C 1 1 13 10414 2 2 4 SER CA C -11.828 1.809 -2.750 1.00 . B A . 4 SER CA 1 1 13 10415 2 2 4 SER CB C -13.276 2.080 -3.087 1.00 . B A . 4 SER CB 1 1 13 10416 2 2 4 SER H H -11.433 3.173 -4.291 1.00 . B A . 4 SER H 1 1 13 10417 2 2 4 SER HA H -11.638 2.121 -1.733 1.00 . B A . 4 SER HA 1 1 13 10418 2 2 4 SER HB2 H -13.511 1.630 -4.039 1.00 . B A . 4 SER HB2 1 1 13 10419 2 2 4 SER HB3 H -13.907 1.665 -2.317 1.00 . B A . 4 SER HB3 1 1 13 10420 2 2 4 SER HG H -13.147 3.888 -2.366 1.00 . B A . 4 SER HG 1 1 13 10421 2 2 4 SER N N -10.994 2.591 -3.636 1.00 . B A . 4 SER N 1 1 13 10422 2 2 4 SER O O -11.470 -0.432 -1.909 1.00 . B A . 4 SER O 1 1 13 10423 2 2 4 SER OG O -13.507 3.481 -3.165 1.00 . B A . 4 SER OG 1 1 13 10424 2 2 5 ALA C C -9.520 -1.804 -3.971 1.00 . B A . 5 ALA C 1 1 13 10425 2 2 5 ALA CA C -10.936 -1.481 -4.405 1.00 . B A . 5 ALA CA 1 1 13 10426 2 2 5 ALA CB C -11.128 -1.801 -5.873 1.00 . B A . 5 ALA CB 1 1 13 10427 2 2 5 ALA H H -11.314 0.527 -4.881 1.00 . B A . 5 ALA H 1 1 13 10428 2 2 5 ALA HA H -11.615 -2.096 -3.831 1.00 . B A . 5 ALA HA 1 1 13 10429 2 2 5 ALA HB1 H -10.930 -2.849 -6.045 1.00 . B A . 5 ALA HB1 1 1 13 10430 2 2 5 ALA HB2 H -10.449 -1.203 -6.464 1.00 . B A . 5 ALA HB2 1 1 13 10431 2 2 5 ALA HB3 H -12.146 -1.577 -6.157 1.00 . B A . 5 ALA HB3 1 1 13 10432 2 2 5 ALA N N -11.262 -0.105 -4.131 1.00 . B A . 5 ALA N 1 1 13 10433 2 2 5 ALA O O -9.247 -2.917 -3.606 1.00 . B A . 5 ALA O 1 1 13 10434 2 2 6 LEU C C -7.143 -1.431 -2.190 1.00 . B A . 6 LEU C 1 1 13 10435 2 2 6 LEU CA C -7.228 -0.969 -3.626 1.00 . B A . 6 LEU CA 1 1 13 10436 2 2 6 LEU CB C -6.481 0.377 -3.840 1.00 . B A . 6 LEU CB 1 1 13 10437 2 2 6 LEU CD1 C -4.475 1.661 -4.547 1.00 . B A . 6 LEU CD1 1 1 13 10438 2 2 6 LEU CD2 C -4.334 0.388 -2.412 1.00 . B A . 6 LEU CD2 1 1 13 10439 2 2 6 LEU CG C -4.931 0.403 -3.835 1.00 . B A . 6 LEU CG 1 1 13 10440 2 2 6 LEU H H -8.939 0.081 -4.292 1.00 . B A . 6 LEU H 1 1 13 10441 2 2 6 LEU HA H -6.794 -1.724 -4.264 1.00 . B A . 6 LEU HA 1 1 13 10442 2 2 6 LEU HB2 H -6.804 0.780 -4.789 1.00 . B A . 6 LEU HB2 1 1 13 10443 2 2 6 LEU HB3 H -6.826 1.052 -3.071 1.00 . B A . 6 LEU HB3 1 1 13 10444 2 2 6 LEU HD11 H -3.396 1.713 -4.524 1.00 . B A . 6 LEU HD11 1 1 13 10445 2 2 6 LEU HD12 H -4.892 2.538 -4.079 1.00 . B A . 6 LEU HD12 1 1 13 10446 2 2 6 LEU HD13 H -4.800 1.621 -5.577 1.00 . B A . 6 LEU HD13 1 1 13 10447 2 2 6 LEU HD21 H -3.252 0.460 -2.442 1.00 . B A . 6 LEU HD21 1 1 13 10448 2 2 6 LEU HD22 H -4.615 -0.526 -1.908 1.00 . B A . 6 LEU HD22 1 1 13 10449 2 2 6 LEU HD23 H -4.709 1.229 -1.848 1.00 . B A . 6 LEU HD23 1 1 13 10450 2 2 6 LEU HG H -4.559 -0.446 -4.390 1.00 . B A . 6 LEU HG 1 1 13 10451 2 2 6 LEU N N -8.641 -0.807 -4.000 1.00 . B A . 6 LEU N 1 1 13 10452 2 2 6 LEU O O -6.577 -2.475 -1.911 1.00 . B A . 6 LEU O 1 1 13 10453 2 2 7 ALA C C -8.315 -2.436 0.361 1.00 . B A . 7 ALA C 1 1 13 10454 2 2 7 ALA CA C -7.799 -1.011 0.126 1.00 . B A . 7 ALA CA 1 1 13 10455 2 2 7 ALA CB C -8.652 -0.001 0.884 1.00 . B A . 7 ALA CB 1 1 13 10456 2 2 7 ALA H H -8.276 0.100 -1.628 1.00 . B A . 7 ALA H 1 1 13 10457 2 2 7 ALA HA H -6.782 -0.941 0.484 1.00 . B A . 7 ALA HA 1 1 13 10458 2 2 7 ALA HB1 H -8.619 -0.222 1.940 1.00 . B A . 7 ALA HB1 1 1 13 10459 2 2 7 ALA HB2 H -9.673 -0.062 0.536 1.00 . B A . 7 ALA HB2 1 1 13 10460 2 2 7 ALA HB3 H -8.272 0.994 0.712 1.00 . B A . 7 ALA HB3 1 1 13 10461 2 2 7 ALA N N -7.793 -0.688 -1.300 1.00 . B A . 7 ALA N 1 1 13 10462 2 2 7 ALA O O -7.718 -3.225 1.115 1.00 . B A . 7 ALA O 1 1 13 10463 2 2 8 ASN C C -9.104 -5.154 -0.813 1.00 . B A . 8 ASN C 1 1 13 10464 2 2 8 ASN CA C -9.992 -4.086 -0.222 1.00 . B A . 8 ASN CA 1 1 13 10465 2 2 8 ASN CB C -11.379 -4.125 -0.874 1.00 . B A . 8 ASN CB 1 1 13 10466 2 2 8 ASN CG C -12.393 -3.213 -0.201 1.00 . B A . 8 ASN CG 1 1 13 10467 2 2 8 ASN H H -9.761 -2.111 -0.955 1.00 . B A . 8 ASN H 1 1 13 10468 2 2 8 ASN HA H -10.102 -4.295 0.832 1.00 . B A . 8 ASN HA 1 1 13 10469 2 2 8 ASN HB2 H -11.286 -3.819 -1.906 1.00 . B A . 8 ASN HB2 1 1 13 10470 2 2 8 ASN HB3 H -11.753 -5.138 -0.841 1.00 . B A . 8 ASN HB3 1 1 13 10471 2 2 8 ASN HD21 H -11.527 -3.426 1.583 1.00 . B A . 8 ASN HD21 1 1 13 10472 2 2 8 ASN HD22 H -12.901 -2.413 1.533 1.00 . B A . 8 ASN HD22 1 1 13 10473 2 2 8 ASN N N -9.380 -2.774 -0.339 1.00 . B A . 8 ASN N 1 1 13 10474 2 2 8 ASN ND2 N -12.261 -3.005 1.084 1.00 . B A . 8 ASN ND2 1 1 13 10475 2 2 8 ASN O O -8.944 -6.201 -0.236 1.00 . B A . 8 ASN O 1 1 13 10476 2 2 8 ASN OD1 O -13.302 -2.691 -0.847 1.00 . B A . 8 ASN OD1 1 1 13 10477 2 2 9 LYS C C -6.465 -6.186 -1.743 1.00 . B A . 9 LYS C 1 1 13 10478 2 2 9 LYS CA C -7.611 -5.772 -2.640 1.00 . B A . 9 LYS CA 1 1 13 10479 2 2 9 LYS CB C -7.065 -5.094 -3.905 1.00 . B A . 9 LYS CB 1 1 13 10480 2 2 9 LYS CD C -6.984 -7.111 -5.420 1.00 . B A . 9 LYS CD 1 1 13 10481 2 2 9 LYS CE C -8.099 -6.609 -6.326 1.00 . B A . 9 LYS CE 1 1 13 10482 2 2 9 LYS CG C -6.198 -5.970 -4.798 1.00 . B A . 9 LYS CG 1 1 13 10483 2 2 9 LYS H H -8.650 -3.972 -2.337 1.00 . B A . 9 LYS H 1 1 13 10484 2 2 9 LYS HA H -8.157 -6.661 -2.913 1.00 . B A . 9 LYS HA 1 1 13 10485 2 2 9 LYS HB2 H -7.893 -4.723 -4.489 1.00 . B A . 9 LYS HB2 1 1 13 10486 2 2 9 LYS HB3 H -6.473 -4.246 -3.593 1.00 . B A . 9 LYS HB3 1 1 13 10487 2 2 9 LYS HD2 H -6.310 -7.721 -6.003 1.00 . B A . 9 LYS HD2 1 1 13 10488 2 2 9 LYS HD3 H -7.413 -7.712 -4.632 1.00 . B A . 9 LYS HD3 1 1 13 10489 2 2 9 LYS HE2 H -8.795 -6.024 -5.744 1.00 . B A . 9 LYS HE2 1 1 13 10490 2 2 9 LYS HE3 H -7.670 -5.994 -7.103 1.00 . B A . 9 LYS HE3 1 1 13 10491 2 2 9 LYS HG2 H -5.795 -5.358 -5.591 1.00 . B A . 9 LYS HG2 1 1 13 10492 2 2 9 LYS HG3 H -5.388 -6.376 -4.208 1.00 . B A . 9 LYS HG3 1 1 13 10493 2 2 9 LYS HZ1 H -8.186 -8.298 -7.518 1.00 . B A . 9 LYS HZ1 1 1 13 10494 2 2 9 LYS HZ2 H -9.587 -7.379 -7.569 1.00 . B A . 9 LYS HZ2 1 1 13 10495 2 2 9 LYS HZ3 H -9.246 -8.347 -6.225 1.00 . B A . 9 LYS HZ3 1 1 13 10496 2 2 9 LYS N N -8.498 -4.857 -1.934 1.00 . B A . 9 LYS N 1 1 13 10497 2 2 9 LYS NZ N -8.831 -7.720 -6.942 1.00 . B A . 9 LYS NZ 1 1 13 10498 2 2 9 LYS O O -6.177 -7.375 -1.612 1.00 . B A . 9 LYS O 1 1 13 10499 2 2 10 CYS C C -5.189 -6.253 1.008 1.00 . B A . 10 CYS C 1 1 13 10500 2 2 10 CYS CA C -4.734 -5.454 -0.212 1.00 . B A . 10 CYS CA 1 1 13 10501 2 2 10 CYS CB C -4.168 -4.135 0.275 1.00 . B A . 10 CYS CB 1 1 13 10502 2 2 10 CYS H H -6.140 -4.285 -1.256 1.00 . B A . 10 CYS H 1 1 13 10503 2 2 10 CYS HA H -3.961 -6.009 -0.730 1.00 . B A . 10 CYS HA 1 1 13 10504 2 2 10 CYS HB2 H -4.866 -3.693 0.968 1.00 . B A . 10 CYS HB2 1 1 13 10505 2 2 10 CYS HB3 H -3.239 -4.335 0.786 1.00 . B A . 10 CYS HB3 1 1 13 10506 2 2 10 CYS N N -5.853 -5.216 -1.108 1.00 . B A . 10 CYS N 1 1 13 10507 2 2 10 CYS O O -4.416 -7.022 1.579 1.00 . B A . 10 CYS O 1 1 13 10508 2 2 10 CYS SG S -3.836 -2.891 -1.000 1.00 . B A . 10 CYS SG 1 1 13 10509 2 2 11 CYS C C -7.405 -8.158 2.223 1.00 . B A . 11 CYS C 1 1 13 10510 2 2 11 CYS CA C -6.961 -6.738 2.567 1.00 . B A . 11 CYS CA 1 1 13 10511 2 2 11 CYS CB C -8.123 -5.932 3.168 1.00 . B A . 11 CYS CB 1 1 13 10512 2 2 11 CYS H H -7.004 -5.435 0.913 1.00 . B A . 11 CYS H 1 1 13 10513 2 2 11 CYS HA H -6.168 -6.795 3.298 1.00 . B A . 11 CYS HA 1 1 13 10514 2 2 11 CYS HB2 H -7.815 -4.904 3.269 1.00 . B A . 11 CYS HB2 1 1 13 10515 2 2 11 CYS HB3 H -8.959 -5.976 2.486 1.00 . B A . 11 CYS HB3 1 1 13 10516 2 2 11 CYS N N -6.431 -6.065 1.402 1.00 . B A . 11 CYS N 1 1 13 10517 2 2 11 CYS O O -7.283 -9.081 3.041 1.00 . B A . 11 CYS O 1 1 13 10518 2 2 11 CYS SG S -8.699 -6.528 4.802 1.00 . B A . 11 CYS SG 1 1 13 10519 2 2 12 HIS C C -7.239 -10.534 0.193 1.00 . B A . 12 HIS C 1 1 13 10520 2 2 12 HIS CA C -8.384 -9.633 0.579 1.00 . B A . 12 HIS CA 1 1 13 10521 2 2 12 HIS CB C -9.344 -9.501 -0.612 1.00 . B A . 12 HIS CB 1 1 13 10522 2 2 12 HIS CD2 C -11.155 -8.067 0.578 1.00 . B A . 12 HIS CD2 1 1 13 10523 2 2 12 HIS CE1 C -12.907 -8.826 -0.427 1.00 . B A . 12 HIS CE1 1 1 13 10524 2 2 12 HIS CG C -10.732 -9.021 -0.283 1.00 . B A . 12 HIS CG 1 1 13 10525 2 2 12 HIS H H -8.003 -7.557 0.427 1.00 . B A . 12 HIS H 1 1 13 10526 2 2 12 HIS HA H -8.920 -10.089 1.397 1.00 . B A . 12 HIS HA 1 1 13 10527 2 2 12 HIS HB2 H -8.917 -8.789 -1.304 1.00 . B A . 12 HIS HB2 1 1 13 10528 2 2 12 HIS HB3 H -9.409 -10.459 -1.106 1.00 . B A . 12 HIS HB3 1 1 13 10529 2 2 12 HIS HD1 H -11.904 -10.189 -1.591 1.00 . B A . 12 HIS HD1 1 1 13 10530 2 2 12 HIS HD2 H -10.511 -7.497 1.231 1.00 . B A . 12 HIS HD2 1 1 13 10531 2 2 12 HIS HE1 H -13.927 -8.989 -0.741 1.00 . B A . 12 HIS HE1 1 1 13 10532 2 2 12 HIS N N -7.915 -8.335 1.027 1.00 . B A . 12 HIS N 1 1 13 10533 2 2 12 HIS ND1 N -11.860 -9.488 -0.905 1.00 . B A . 12 HIS ND1 1 1 13 10534 2 2 12 HIS NE2 N -12.539 -7.943 0.485 1.00 . B A . 12 HIS NE2 1 1 13 10535 2 2 12 HIS O O -7.130 -11.664 0.675 1.00 . B A . 12 HIS O 1 1 13 10536 2 2 13 VAL C C -3.957 -10.156 -1.007 1.00 . B A . 13 VAL C 1 1 13 10537 2 2 13 VAL CA C -5.311 -10.832 -1.201 1.00 . B A . 13 VAL CA 1 1 13 10538 2 2 13 VAL CB C -5.544 -11.189 -2.703 1.00 . B A . 13 VAL CB 1 1 13 10539 2 2 13 VAL CG1 C -6.705 -12.158 -2.844 1.00 . B A . 13 VAL CG1 1 1 13 10540 2 2 13 VAL CG2 C -5.837 -9.951 -3.543 1.00 . B A . 13 VAL CG2 1 1 13 10541 2 2 13 VAL H H -6.500 -9.103 -0.942 1.00 . B A . 13 VAL H 1 1 13 10542 2 2 13 VAL HA H -5.297 -11.756 -0.640 1.00 . B A . 13 VAL HA 1 1 13 10543 2 2 13 VAL HB H -4.627 -11.632 -3.058 1.00 . B A . 13 VAL HB 1 1 13 10544 2 2 13 VAL HG11 H -6.498 -13.065 -2.297 1.00 . B A . 13 VAL HG11 1 1 13 10545 2 2 13 VAL HG12 H -6.868 -12.381 -3.888 1.00 . B A . 13 VAL HG12 1 1 13 10546 2 2 13 VAL HG13 H -7.587 -11.683 -2.436 1.00 . B A . 13 VAL HG13 1 1 13 10547 2 2 13 VAL HG21 H -6.004 -10.239 -4.570 1.00 . B A . 13 VAL HG21 1 1 13 10548 2 2 13 VAL HG22 H -4.998 -9.273 -3.490 1.00 . B A . 13 VAL HG22 1 1 13 10549 2 2 13 VAL HG23 H -6.719 -9.458 -3.159 1.00 . B A . 13 VAL HG23 1 1 13 10550 2 2 13 VAL N N -6.397 -10.041 -0.667 1.00 . B A . 13 VAL N 1 1 13 10551 2 2 13 VAL O O -2.993 -10.778 -0.551 1.00 . B A . 13 VAL O 1 1 13 10552 2 2 14 GLY C C -2.589 -7.236 -2.443 1.00 . B A . 14 GLY C 1 1 13 10553 2 2 14 GLY CA C -2.720 -8.119 -1.237 1.00 . B A . 14 GLY CA 1 1 13 10554 2 2 14 GLY H H -4.705 -8.507 -1.749 1.00 . B A . 14 GLY H 1 1 13 10555 2 2 14 GLY HA2 H -2.787 -7.517 -0.342 1.00 . B A . 14 GLY HA2 1 1 13 10556 2 2 14 GLY HA3 H -1.843 -8.733 -1.149 1.00 . B A . 14 GLY HA3 1 1 13 10557 2 2 14 GLY N N -3.904 -8.913 -1.352 1.00 . B A . 14 GLY N 1 1 13 10558 2 2 14 GLY O O -3.340 -7.404 -3.413 1.00 . B A . 14 GLY O 1 1 13 10559 2 2 15 CYS C C -0.051 -4.976 -3.584 1.00 . B A . 15 CYS C 1 1 13 10560 2 2 15 CYS CA C -1.493 -5.381 -3.497 1.00 . B A . 15 CYS CA 1 1 13 10561 2 2 15 CYS CB C -2.347 -4.155 -3.269 1.00 . B A . 15 CYS CB 1 1 13 10562 2 2 15 CYS H H -1.074 -6.243 -1.638 1.00 . B A . 15 CYS H 1 1 13 10563 2 2 15 CYS HA H -1.795 -5.854 -4.420 1.00 . B A . 15 CYS HA 1 1 13 10564 2 2 15 CYS HB2 H -2.142 -3.438 -4.052 1.00 . B A . 15 CYS HB2 1 1 13 10565 2 2 15 CYS HB3 H -3.388 -4.432 -3.302 1.00 . B A . 15 CYS HB3 1 1 13 10566 2 2 15 CYS N N -1.674 -6.324 -2.412 1.00 . B A . 15 CYS N 1 1 13 10567 2 2 15 CYS O O 0.736 -5.234 -2.650 1.00 . B A . 15 CYS O 1 1 13 10568 2 2 15 CYS SG S -2.014 -3.359 -1.679 1.00 . B A . 15 CYS SG 1 1 13 10569 2 2 16 THR C C 1.861 -2.626 -4.181 1.00 . B A . 16 THR C 1 1 13 10570 2 2 16 THR CA C 1.641 -3.948 -4.880 1.00 . B A . 16 THR CA 1 1 13 10571 2 2 16 THR CB C 2.007 -3.847 -6.368 1.00 . B A . 16 THR CB 1 1 13 10572 2 2 16 THR CG2 C 1.964 -5.213 -7.031 1.00 . B A . 16 THR CG2 1 1 13 10573 2 2 16 THR H H -0.330 -4.179 -5.395 1.00 . B A . 16 THR H 1 1 13 10574 2 2 16 THR HA H 2.282 -4.676 -4.416 1.00 . B A . 16 THR HA 1 1 13 10575 2 2 16 THR HB H 3.007 -3.446 -6.451 1.00 . B A . 16 THR HB 1 1 13 10576 2 2 16 THR HG1 H 0.419 -3.498 -7.471 1.00 . B A . 16 THR HG1 1 1 13 10577 2 2 16 THR HG21 H 2.664 -5.870 -6.538 1.00 . B A . 16 THR HG21 1 1 13 10578 2 2 16 THR HG22 H 2.230 -5.119 -8.073 1.00 . B A . 16 THR HG22 1 1 13 10579 2 2 16 THR HG23 H 0.968 -5.621 -6.947 1.00 . B A . 16 THR HG23 1 1 13 10580 2 2 16 THR N N 0.317 -4.381 -4.688 1.00 . B A . 16 THR N 1 1 13 10581 2 2 16 THR O O 0.948 -1.820 -4.044 1.00 . B A . 16 THR O 1 1 13 10582 2 2 16 THR OG1 O 1.095 -2.972 -7.026 1.00 . B A . 16 THR OG1 1 1 13 10583 2 2 17 LYS C C 3.257 0.030 -3.865 1.00 . B A . 17 LYS C 1 1 13 10584 2 2 17 LYS CA C 3.433 -1.223 -2.999 1.00 . B A . 17 LYS CA 1 1 13 10585 2 2 17 LYS CB C 4.867 -1.386 -2.506 1.00 . B A . 17 LYS CB 1 1 13 10586 2 2 17 LYS CD C 4.421 -1.316 -0.033 1.00 . B A . 17 LYS CD 1 1 13 10587 2 2 17 LYS CE C 4.909 -0.826 1.329 1.00 . B A . 17 LYS CE 1 1 13 10588 2 2 17 LYS CG C 5.214 -0.708 -1.193 1.00 . B A . 17 LYS CG 1 1 13 10589 2 2 17 LYS H H 3.699 -3.133 -3.939 1.00 . B A . 17 LYS H 1 1 13 10590 2 2 17 LYS HA H 2.768 -1.114 -2.151 1.00 . B A . 17 LYS HA 1 1 13 10591 2 2 17 LYS HB2 H 4.965 -2.444 -2.341 1.00 . B A . 17 LYS HB2 1 1 13 10592 2 2 17 LYS HB3 H 5.585 -1.087 -3.256 1.00 . B A . 17 LYS HB3 1 1 13 10593 2 2 17 LYS HD2 H 3.381 -1.043 -0.136 1.00 . B A . 17 LYS HD2 1 1 13 10594 2 2 17 LYS HD3 H 4.514 -2.391 -0.073 1.00 . B A . 17 LYS HD3 1 1 13 10595 2 2 17 LYS HE2 H 4.819 0.249 1.376 1.00 . B A . 17 LYS HE2 1 1 13 10596 2 2 17 LYS HE3 H 4.283 -1.269 2.091 1.00 . B A . 17 LYS HE3 1 1 13 10597 2 2 17 LYS HG2 H 6.267 -0.859 -1.007 1.00 . B A . 17 LYS HG2 1 1 13 10598 2 2 17 LYS HG3 H 4.989 0.346 -1.269 1.00 . B A . 17 LYS HG3 1 1 13 10599 2 2 17 LYS HZ1 H 6.976 -0.721 0.951 1.00 . B A . 17 LYS HZ1 1 1 13 10600 2 2 17 LYS HZ2 H 6.445 -2.240 1.471 1.00 . B A . 17 LYS HZ2 1 1 13 10601 2 2 17 LYS HZ3 H 6.593 -0.958 2.558 1.00 . B A . 17 LYS HZ3 1 1 13 10602 2 2 17 LYS N N 3.056 -2.414 -3.751 1.00 . B A . 17 LYS N 1 1 13 10603 2 2 17 LYS NZ N 6.315 -1.207 1.587 1.00 . B A . 17 LYS NZ 1 1 13 10604 2 2 17 LYS O O 2.960 1.087 -3.350 1.00 . B A . 17 LYS O 1 1 13 10605 2 2 18 ARG C C 1.680 1.394 -6.082 1.00 . B A . 18 ARG C 1 1 13 10606 2 2 18 ARG CA C 3.129 0.983 -6.153 1.00 . B A . 18 ARG CA 1 1 13 10607 2 2 18 ARG CB C 3.446 0.605 -7.608 1.00 . B A . 18 ARG CB 1 1 13 10608 2 2 18 ARG CD C 3.290 -0.954 -9.541 1.00 . B A . 18 ARG CD 1 1 13 10609 2 2 18 ARG CG C 2.866 -0.693 -8.112 1.00 . B A . 18 ARG CG 1 1 13 10610 2 2 18 ARG CZ C 3.139 -2.844 -11.153 1.00 . B A . 18 ARG CZ 1 1 13 10611 2 2 18 ARG H H 3.736 -0.988 -5.522 1.00 . B A . 18 ARG H 1 1 13 10612 2 2 18 ARG HA H 3.743 1.826 -5.866 1.00 . B A . 18 ARG HA 1 1 13 10613 2 2 18 ARG HB2 H 2.914 1.353 -8.172 1.00 . B A . 18 ARG HB2 1 1 13 10614 2 2 18 ARG HB3 H 4.490 0.657 -7.853 1.00 . B A . 18 ARG HB3 1 1 13 10615 2 2 18 ARG HD2 H 2.995 -0.114 -10.153 1.00 . B A . 18 ARG HD2 1 1 13 10616 2 2 18 ARG HD3 H 4.365 -1.056 -9.568 1.00 . B A . 18 ARG HD3 1 1 13 10617 2 2 18 ARG HE H 1.869 -2.475 -9.627 1.00 . B A . 18 ARG HE 1 1 13 10618 2 2 18 ARG HG2 H 3.216 -1.500 -7.487 1.00 . B A . 18 ARG HG2 1 1 13 10619 2 2 18 ARG HG3 H 1.788 -0.641 -8.067 1.00 . B A . 18 ARG HG3 1 1 13 10620 2 2 18 ARG HH11 H 4.804 -1.675 -11.458 1.00 . B A . 18 ARG HH11 1 1 13 10621 2 2 18 ARG HH12 H 4.620 -2.931 -12.578 1.00 . B A . 18 ARG HH12 1 1 13 10622 2 2 18 ARG HH21 H 1.633 -4.237 -11.161 1.00 . B A . 18 ARG HH21 1 1 13 10623 2 2 18 ARG HH22 H 2.788 -4.425 -12.395 1.00 . B A . 18 ARG HH22 1 1 13 10624 2 2 18 ARG N N 3.408 -0.123 -5.199 1.00 . B A . 18 ARG N 1 1 13 10625 2 2 18 ARG NE N 2.687 -2.172 -10.084 1.00 . B A . 18 ARG NE 1 1 13 10626 2 2 18 ARG NH1 N 4.262 -2.460 -11.766 1.00 . B A . 18 ARG NH1 1 1 13 10627 2 2 18 ARG NH2 N 2.474 -3.904 -11.594 1.00 . B A . 18 ARG NH2 1 1 13 10628 2 2 18 ARG O O 1.335 2.555 -6.194 1.00 . B A . 18 ARG O 1 1 13 10629 2 2 19 SER C C -0.887 1.456 -4.584 1.00 . B A . 19 SER C 1 1 13 10630 2 2 19 SER CA C -0.546 0.578 -5.804 1.00 . B A . 19 SER CA 1 1 13 10631 2 2 19 SER CB C -1.216 -0.830 -5.783 1.00 . B A . 19 SER CB 1 1 13 10632 2 2 19 SER H H 1.295 -0.450 -5.790 1.00 . B A . 19 SER H 1 1 13 10633 2 2 19 SER HA H -0.852 1.104 -6.695 1.00 . B A . 19 SER HA 1 1 13 10634 2 2 19 SER HB2 H -0.887 -1.345 -6.674 1.00 . B A . 19 SER HB2 1 1 13 10635 2 2 19 SER HB3 H -0.877 -1.405 -4.930 1.00 . B A . 19 SER HB3 1 1 13 10636 2 2 19 SER HG H -2.873 -0.023 -6.371 1.00 . B A . 19 SER HG 1 1 13 10637 2 2 19 SER N N 0.869 0.423 -5.887 1.00 . B A . 19 SER N 1 1 13 10638 2 2 19 SER O O -1.489 2.527 -4.734 1.00 . B A . 19 SER O 1 1 13 10639 2 2 19 SER OG O -2.630 -0.781 -5.824 1.00 . B A . 19 SER OG 1 1 13 10640 2 2 20 LEU C C 0.078 3.220 -2.276 1.00 . B A . 20 LEU C 1 1 13 10641 2 2 20 LEU CA C -0.683 1.910 -2.195 1.00 . B A . 20 LEU CA 1 1 13 10642 2 2 20 LEU CB C -0.357 1.247 -0.843 1.00 . B A . 20 LEU CB 1 1 13 10643 2 2 20 LEU CD1 C 0.454 -1.092 -1.150 1.00 . B A . 20 LEU CD1 1 1 13 10644 2 2 20 LEU CD2 C -0.862 -0.510 0.828 1.00 . B A . 20 LEU CD2 1 1 13 10645 2 2 20 LEU CG C -0.663 -0.230 -0.629 1.00 . B A . 20 LEU CG 1 1 13 10646 2 2 20 LEU H H 0.112 0.248 -3.336 1.00 . B A . 20 LEU H 1 1 13 10647 2 2 20 LEU HA H -1.718 2.210 -2.212 1.00 . B A . 20 LEU HA 1 1 13 10648 2 2 20 LEU HB2 H 0.663 1.448 -0.574 1.00 . B A . 20 LEU HB2 1 1 13 10649 2 2 20 LEU HB3 H -0.952 1.785 -0.122 1.00 . B A . 20 LEU HB3 1 1 13 10650 2 2 20 LEU HD11 H 0.594 -0.929 -2.208 1.00 . B A . 20 LEU HD11 1 1 13 10651 2 2 20 LEU HD12 H 0.211 -2.131 -0.979 1.00 . B A . 20 LEU HD12 1 1 13 10652 2 2 20 LEU HD13 H 1.361 -0.843 -0.621 1.00 . B A . 20 LEU HD13 1 1 13 10653 2 2 20 LEU HD21 H 0.063 -0.278 1.335 1.00 . B A . 20 LEU HD21 1 1 13 10654 2 2 20 LEU HD22 H -1.076 -1.560 0.949 1.00 . B A . 20 LEU HD22 1 1 13 10655 2 2 20 LEU HD23 H -1.673 0.086 1.221 1.00 . B A . 20 LEU HD23 1 1 13 10656 2 2 20 LEU HG H -1.572 -0.490 -1.150 1.00 . B A . 20 LEU HG 1 1 13 10657 2 2 20 LEU N N -0.403 1.082 -3.392 1.00 . B A . 20 LEU N 1 1 13 10658 2 2 20 LEU O O -0.291 4.200 -1.626 1.00 . B A . 20 LEU O 1 1 13 10659 2 2 21 ALA C C 1.076 5.520 -3.965 1.00 . B A . 21 ALA C 1 1 13 10660 2 2 21 ALA CA C 1.918 4.441 -3.303 1.00 . B A . 21 ALA CA 1 1 13 10661 2 2 21 ALA CB C 3.143 4.150 -4.164 1.00 . B A . 21 ALA CB 1 1 13 10662 2 2 21 ALA H H 1.357 2.382 -3.523 1.00 . B A . 21 ALA H 1 1 13 10663 2 2 21 ALA HA H 2.247 4.773 -2.330 1.00 . B A . 21 ALA HA 1 1 13 10664 2 2 21 ALA HB1 H 3.726 3.360 -3.713 1.00 . B A . 21 ALA HB1 1 1 13 10665 2 2 21 ALA HB2 H 3.748 5.041 -4.245 1.00 . B A . 21 ALA HB2 1 1 13 10666 2 2 21 ALA HB3 H 2.822 3.843 -5.148 1.00 . B A . 21 ALA HB3 1 1 13 10667 2 2 21 ALA N N 1.120 3.233 -3.086 1.00 . B A . 21 ALA N 1 1 13 10668 2 2 21 ALA O O 1.231 6.716 -3.694 1.00 . B A . 21 ALA O 1 1 13 10669 2 2 22 ARG C C -1.916 6.295 -4.720 1.00 . B A . 22 ARG C 1 1 13 10670 2 2 22 ARG CA C -0.708 5.982 -5.556 1.00 . B A . 22 ARG CA 1 1 13 10671 2 2 22 ARG CB C -1.139 5.339 -6.857 1.00 . B A . 22 ARG CB 1 1 13 10672 2 2 22 ARG CD C -0.381 4.216 -8.947 1.00 . B A . 22 ARG CD 1 1 13 10673 2 2 22 ARG CG C 0.031 4.927 -7.688 1.00 . B A . 22 ARG CG 1 1 13 10674 2 2 22 ARG CZ C 0.746 3.352 -10.977 1.00 . B A . 22 ARG CZ 1 1 13 10675 2 2 22 ARG H H 0.133 4.118 -5.003 1.00 . B A . 22 ARG H 1 1 13 10676 2 2 22 ARG HA H -0.174 6.895 -5.773 1.00 . B A . 22 ARG HA 1 1 13 10677 2 2 22 ARG HB2 H -1.733 4.465 -6.636 1.00 . B A . 22 ARG HB2 1 1 13 10678 2 2 22 ARG HB3 H -1.733 6.039 -7.424 1.00 . B A . 22 ARG HB3 1 1 13 10679 2 2 22 ARG HD2 H -0.942 3.332 -8.679 1.00 . B A . 22 ARG HD2 1 1 13 10680 2 2 22 ARG HD3 H -0.998 4.875 -9.538 1.00 . B A . 22 ARG HD3 1 1 13 10681 2 2 22 ARG HE H 1.642 3.939 -9.275 1.00 . B A . 22 ARG HE 1 1 13 10682 2 2 22 ARG HG2 H 0.628 5.794 -7.932 1.00 . B A . 22 ARG HG2 1 1 13 10683 2 2 22 ARG HG3 H 0.589 4.254 -7.051 1.00 . B A . 22 ARG HG3 1 1 13 10684 2 2 22 ARG HH11 H -1.293 3.313 -11.129 1.00 . B A . 22 ARG HH11 1 1 13 10685 2 2 22 ARG HH12 H -0.464 2.808 -12.531 1.00 . B A . 22 ARG HH12 1 1 13 10686 2 2 22 ARG HH21 H 2.774 3.240 -11.174 1.00 . B A . 22 ARG HH21 1 1 13 10687 2 2 22 ARG HH22 H 1.894 2.736 -12.546 1.00 . B A . 22 ARG HH22 1 1 13 10688 2 2 22 ARG N N 0.180 5.085 -4.832 1.00 . B A . 22 ARG N 1 1 13 10689 2 2 22 ARG NE N 0.779 3.819 -9.733 1.00 . B A . 22 ARG NE 1 1 13 10690 2 2 22 ARG NH1 N -0.417 3.137 -11.585 1.00 . B A . 22 ARG NH1 1 1 13 10691 2 2 22 ARG NH2 N 1.881 3.091 -11.607 1.00 . B A . 22 ARG NH2 1 1 13 10692 2 2 22 ARG O O -2.626 7.283 -4.966 1.00 . B A . 22 ARG O 1 1 13 10693 2 2 23 PHE C C -2.894 6.786 -1.908 1.00 . B A . 23 PHE C 1 1 13 10694 2 2 23 PHE CA C -3.266 5.657 -2.823 1.00 . B A . 23 PHE CA 1 1 13 10695 2 2 23 PHE CB C -3.546 4.404 -1.975 1.00 . B A . 23 PHE CB 1 1 13 10696 2 2 23 PHE CD1 C -5.025 5.259 -0.092 1.00 . B A . 23 PHE CD1 1 1 13 10697 2 2 23 PHE CD2 C -5.938 3.661 -1.598 1.00 . B A . 23 PHE CD2 1 1 13 10698 2 2 23 PHE CE1 C -6.216 5.289 0.604 1.00 . B A . 23 PHE CE1 1 1 13 10699 2 2 23 PHE CE2 C -7.130 3.689 -0.903 1.00 . B A . 23 PHE CE2 1 1 13 10700 2 2 23 PHE CG C -4.867 4.445 -1.206 1.00 . B A . 23 PHE CG 1 1 13 10701 2 2 23 PHE CZ C -7.268 4.503 0.197 1.00 . B A . 23 PHE CZ 1 1 13 10702 2 2 23 PHE H H -1.526 4.700 -3.667 1.00 . B A . 23 PHE H 1 1 13 10703 2 2 23 PHE HA H -4.138 5.914 -3.400 1.00 . B A . 23 PHE HA 1 1 13 10704 2 2 23 PHE HB2 H -3.501 3.532 -2.602 1.00 . B A . 23 PHE HB2 1 1 13 10705 2 2 23 PHE HB3 H -2.752 4.315 -1.248 1.00 . B A . 23 PHE HB3 1 1 13 10706 2 2 23 PHE HD1 H -4.200 5.879 0.229 1.00 . B A . 23 PHE HD1 1 1 13 10707 2 2 23 PHE HD2 H -5.846 3.018 -2.458 1.00 . B A . 23 PHE HD2 1 1 13 10708 2 2 23 PHE HE1 H -6.321 5.927 1.469 1.00 . B A . 23 PHE HE1 1 1 13 10709 2 2 23 PHE HE2 H -7.955 3.072 -1.224 1.00 . B A . 23 PHE HE2 1 1 13 10710 2 2 23 PHE HZ H -8.200 4.525 0.740 1.00 . B A . 23 PHE HZ 1 1 13 10711 2 2 23 PHE N N -2.153 5.455 -3.740 1.00 . B A . 23 PHE N 1 1 13 10712 2 2 23 PHE O O -3.522 7.852 -1.907 1.00 . B A . 23 PHE O 1 1 13 10713 2 2 24 CYS C C -2.235 7.757 0.979 1.00 . B A . 24 CYS C 1 1 13 10714 2 2 24 CYS CA C -1.263 7.447 -0.187 1.00 . B A . 24 CYS CA 1 1 13 10715 2 2 24 CYS CB C -0.747 8.741 -0.880 1.00 . B A . 24 CYS CB 1 1 13 10716 2 2 24 CYS H H -1.493 5.608 -1.274 1.00 . B A . 24 CYS H 1 1 13 10717 2 2 24 CYS HA H -0.420 6.924 0.242 1.00 . B A . 24 CYS HA 1 1 13 10718 2 2 24 CYS HB2 H -0.134 8.465 -1.725 1.00 . B A . 24 CYS HB2 1 1 13 10719 2 2 24 CYS HB3 H -1.594 9.312 -1.232 1.00 . B A . 24 CYS HB3 1 1 13 10720 2 2 24 CYS N N -1.858 6.518 -1.154 1.00 . B A . 24 CYS N 1 1 13 10721 2 2 24 CYS O O -2.183 7.111 2.030 1.00 . B A . 24 CYS O 1 1 13 10722 2 2 24 CYS SG S 0.258 9.828 0.196 1.00 . B A . 24 CYS SG 1 1 13 10723 2 2 25 NH2 HN1 H -3.123 9.208 -0.047 1.00 . B A . 25 NH2 HN1 1 1 13 10724 2 2 25 NH2 HN2 H -3.741 8.916 1.538 1.00 . B A . 25 NH2 HN2 1 1 13 10725 2 2 25 NH2 N N -3.120 8.724 0.805 1.00 . B A . 25 NH2 N 1 1 14 10726 1 1 1 ASP C C 12.579 -2.643 -0.485 1.00 . A B . 1 ASP C 1 1 14 10727 1 1 1 ASP CA C 12.378 -2.954 0.978 1.00 . A B . 1 ASP CA 1 1 14 10728 1 1 1 ASP CB C 13.621 -2.549 1.778 1.00 . A B . 1 ASP CB 1 1 14 10729 1 1 1 ASP CG C 13.354 -2.434 3.249 1.00 . A B . 1 ASP CG 1 1 14 10730 1 1 1 ASP H1 H 12.709 -5.026 0.905 1.00 . A B . 1 ASP H1 1 1 14 10731 1 1 1 ASP H2 H 11.109 -4.582 0.691 1.00 . A B . 1 ASP H2 1 1 14 10732 1 1 1 ASP H3 H 11.783 -4.529 2.220 1.00 . A B . 1 ASP H3 1 1 14 10733 1 1 1 ASP HA H 11.551 -2.344 1.306 1.00 . A B . 1 ASP HA 1 1 14 10734 1 1 1 ASP HB2 H 14.390 -3.293 1.633 1.00 . A B . 1 ASP HB2 1 1 14 10735 1 1 1 ASP HB3 H 13.978 -1.596 1.416 1.00 . A B . 1 ASP HB3 1 1 14 10736 1 1 1 ASP N N 11.982 -4.351 1.217 1.00 . A B . 1 ASP N 1 1 14 10737 1 1 1 ASP O O 12.480 -1.480 -0.877 1.00 . A B . 1 ASP O 1 1 14 10738 1 1 1 ASP OD1 O 13.425 -3.450 3.963 1.00 . A B . 1 ASP OD1 1 1 14 10739 1 1 1 ASP OD2 O 13.049 -1.324 3.728 1.00 . A B . 1 ASP OD2 1 1 14 10740 1 1 2 SER C C 11.675 -3.124 -3.314 1.00 . A B . 2 SER C 1 1 14 10741 1 1 2 SER CA C 13.032 -3.387 -2.724 1.00 . A B . 2 SER CA 1 1 14 10742 1 1 2 SER CB C 13.657 -4.552 -3.418 1.00 . A B . 2 SER CB 1 1 14 10743 1 1 2 SER H H 12.930 -4.570 -0.993 1.00 . A B . 2 SER H 1 1 14 10744 1 1 2 SER HA H 13.651 -2.509 -2.832 1.00 . A B . 2 SER HA 1 1 14 10745 1 1 2 SER HB2 H 12.863 -5.265 -3.543 1.00 . A B . 2 SER HB2 1 1 14 10746 1 1 2 SER HB3 H 13.980 -4.231 -4.398 1.00 . A B . 2 SER HB3 1 1 14 10747 1 1 2 SER HG H 14.760 -4.617 -1.813 1.00 . A B . 2 SER HG 1 1 14 10748 1 1 2 SER N N 12.858 -3.644 -1.311 1.00 . A B . 2 SER N 1 1 14 10749 1 1 2 SER O O 10.822 -4.006 -3.354 1.00 . A B . 2 SER O 1 1 14 10750 1 1 2 SER OG O 14.773 -5.040 -2.683 1.00 . A B . 2 SER OG 1 1 14 10751 1 1 3 TRP C C 9.567 -2.214 -5.327 1.00 . A B . 3 TRP C 1 1 14 10752 1 1 3 TRP CA C 10.233 -1.400 -4.228 1.00 . A B . 3 TRP CA 1 1 14 10753 1 1 3 TRP CB C 10.374 0.076 -4.631 1.00 . A B . 3 TRP CB 1 1 14 10754 1 1 3 TRP CD1 C 12.179 1.537 -3.514 1.00 . A B . 3 TRP CD1 1 1 14 10755 1 1 3 TRP CD2 C 10.314 1.310 -2.291 1.00 . A B . 3 TRP CD2 1 1 14 10756 1 1 3 TRP CE2 C 11.224 2.123 -1.583 1.00 . A B . 3 TRP CE2 1 1 14 10757 1 1 3 TRP CE3 C 9.072 1.031 -1.708 1.00 . A B . 3 TRP CE3 1 1 14 10758 1 1 3 TRP CG C 10.944 0.950 -3.535 1.00 . A B . 3 TRP CG 1 1 14 10759 1 1 3 TRP CH2 C 9.714 2.363 0.210 1.00 . A B . 3 TRP CH2 1 1 14 10760 1 1 3 TRP CZ2 C 10.931 2.656 -0.331 1.00 . A B . 3 TRP CZ2 1 1 14 10761 1 1 3 TRP CZ3 C 8.790 1.561 -0.464 1.00 . A B . 3 TRP CZ3 1 1 14 10762 1 1 3 TRP H H 12.360 -1.460 -3.922 1.00 . A B . 3 TRP H 1 1 14 10763 1 1 3 TRP HA H 9.590 -1.446 -3.361 1.00 . A B . 3 TRP HA 1 1 14 10764 1 1 3 TRP HB2 H 11.031 0.145 -5.486 1.00 . A B . 3 TRP HB2 1 1 14 10765 1 1 3 TRP HB3 H 9.402 0.464 -4.899 1.00 . A B . 3 TRP HB3 1 1 14 10766 1 1 3 TRP HD1 H 12.904 1.453 -4.309 1.00 . A B . 3 TRP HD1 1 1 14 10767 1 1 3 TRP HE1 H 13.145 2.763 -2.092 1.00 . A B . 3 TRP HE1 1 1 14 10768 1 1 3 TRP HE3 H 8.341 0.414 -2.209 1.00 . A B . 3 TRP HE3 1 1 14 10769 1 1 3 TRP HH2 H 9.447 2.753 1.181 1.00 . A B . 3 TRP HH2 1 1 14 10770 1 1 3 TRP HZ2 H 11.632 3.278 0.204 1.00 . A B . 3 TRP HZ2 1 1 14 10771 1 1 3 TRP HZ3 H 7.841 1.353 0.007 1.00 . A B . 3 TRP HZ3 1 1 14 10772 1 1 3 TRP N N 11.520 -1.952 -3.811 1.00 . A B . 3 TRP N 1 1 14 10773 1 1 3 TRP NE1 N 12.347 2.249 -2.348 1.00 . A B . 3 TRP NE1 1 1 14 10774 1 1 3 TRP O O 8.342 -2.327 -5.363 1.00 . A B . 3 TRP O 1 1 14 10775 1 1 4 MET C C 9.162 -4.880 -6.752 1.00 . A B . 4 MET C 1 1 14 10776 1 1 4 MET CA C 9.877 -3.642 -7.284 1.00 . A B . 4 MET CA 1 1 14 10777 1 1 4 MET CB C 11.020 -4.096 -8.229 1.00 . A B . 4 MET CB 1 1 14 10778 1 1 4 MET CE C 14.131 -3.503 -7.307 1.00 . A B . 4 MET CE 1 1 14 10779 1 1 4 MET CG C 11.860 -2.973 -8.844 1.00 . A B . 4 MET CG 1 1 14 10780 1 1 4 MET H H 11.340 -2.673 -6.085 1.00 . A B . 4 MET H 1 1 14 10781 1 1 4 MET HA H 9.174 -3.049 -7.850 1.00 . A B . 4 MET HA 1 1 14 10782 1 1 4 MET HB2 H 11.683 -4.743 -7.676 1.00 . A B . 4 MET HB2 1 1 14 10783 1 1 4 MET HB3 H 10.582 -4.669 -9.033 1.00 . A B . 4 MET HB3 1 1 14 10784 1 1 4 MET HE1 H 14.612 -3.812 -8.224 1.00 . A B . 4 MET HE1 1 1 14 10785 1 1 4 MET HE2 H 13.601 -4.341 -6.879 1.00 . A B . 4 MET HE2 1 1 14 10786 1 1 4 MET HE3 H 14.880 -3.159 -6.611 1.00 . A B . 4 MET HE3 1 1 14 10787 1 1 4 MET HG2 H 12.456 -3.388 -9.643 1.00 . A B . 4 MET HG2 1 1 14 10788 1 1 4 MET HG3 H 11.193 -2.229 -9.253 1.00 . A B . 4 MET HG3 1 1 14 10789 1 1 4 MET N N 10.375 -2.815 -6.185 1.00 . A B . 4 MET N 1 1 14 10790 1 1 4 MET O O 8.202 -5.362 -7.348 1.00 . A B . 4 MET O 1 1 14 10791 1 1 4 MET SD S 12.979 -2.166 -7.659 1.00 . A B . 4 MET SD 1 1 14 10792 1 1 5 GLU C C 8.258 -6.330 -3.795 1.00 . A B . 5 GLU C 1 1 14 10793 1 1 5 GLU CA C 9.069 -6.588 -5.043 1.00 . A B . 5 GLU CA 1 1 14 10794 1 1 5 GLU CB C 10.191 -7.577 -4.738 1.00 . A B . 5 GLU CB 1 1 14 10795 1 1 5 GLU CD C 10.045 -8.589 -7.020 1.00 . A B . 5 GLU CD 1 1 14 10796 1 1 5 GLU CG C 10.957 -8.032 -5.961 1.00 . A B . 5 GLU CG 1 1 14 10797 1 1 5 GLU H H 10.281 -4.874 -5.089 1.00 . A B . 5 GLU H 1 1 14 10798 1 1 5 GLU HA H 8.424 -7.030 -5.788 1.00 . A B . 5 GLU HA 1 1 14 10799 1 1 5 GLU HB2 H 10.887 -7.110 -4.057 1.00 . A B . 5 GLU HB2 1 1 14 10800 1 1 5 GLU HB3 H 9.766 -8.448 -4.260 1.00 . A B . 5 GLU HB3 1 1 14 10801 1 1 5 GLU HG2 H 11.490 -7.188 -6.373 1.00 . A B . 5 GLU HG2 1 1 14 10802 1 1 5 GLU HG3 H 11.660 -8.798 -5.671 1.00 . A B . 5 GLU HG3 1 1 14 10803 1 1 5 GLU N N 9.602 -5.361 -5.602 1.00 . A B . 5 GLU N 1 1 14 10804 1 1 5 GLU O O 7.872 -7.265 -3.093 1.00 . A B . 5 GLU O 1 1 14 10805 1 1 5 GLU OE1 O 9.390 -9.631 -6.784 1.00 . A B . 5 GLU OE1 1 1 14 10806 1 1 5 GLU OE2 O 9.976 -8.021 -8.109 1.00 . A B . 5 GLU OE2 1 1 14 10807 1 1 6 GLU C C 5.754 -4.991 -2.597 1.00 . A B . 6 GLU C 1 1 14 10808 1 1 6 GLU CA C 7.217 -4.752 -2.361 1.00 . A B . 6 GLU CA 1 1 14 10809 1 1 6 GLU CB C 7.437 -3.342 -1.885 1.00 . A B . 6 GLU CB 1 1 14 10810 1 1 6 GLU CD C 8.954 -3.902 -0.004 1.00 . A B . 6 GLU CD 1 1 14 10811 1 1 6 GLU CG C 8.770 -3.085 -1.244 1.00 . A B . 6 GLU CG 1 1 14 10812 1 1 6 GLU H H 8.311 -4.375 -4.108 1.00 . A B . 6 GLU H 1 1 14 10813 1 1 6 GLU HA H 7.535 -5.427 -1.579 1.00 . A B . 6 GLU HA 1 1 14 10814 1 1 6 GLU HB2 H 7.287 -2.643 -2.694 1.00 . A B . 6 GLU HB2 1 1 14 10815 1 1 6 GLU HB3 H 6.677 -3.204 -1.130 1.00 . A B . 6 GLU HB3 1 1 14 10816 1 1 6 GLU HG2 H 9.551 -3.339 -1.944 1.00 . A B . 6 GLU HG2 1 1 14 10817 1 1 6 GLU HG3 H 8.843 -2.039 -0.984 1.00 . A B . 6 GLU HG3 1 1 14 10818 1 1 6 GLU N N 7.990 -5.081 -3.512 1.00 . A B . 6 GLU N 1 1 14 10819 1 1 6 GLU O O 5.100 -4.296 -3.381 1.00 . A B . 6 GLU O 1 1 14 10820 1 1 6 GLU OE1 O 8.379 -3.554 1.033 1.00 . A B . 6 GLU OE1 1 1 14 10821 1 1 6 GLU OE2 O 9.692 -4.898 -0.034 1.00 . A B . 6 GLU OE2 1 1 14 10822 1 1 7 VAL C C 3.514 -6.812 -0.560 1.00 . A B . 7 VAL C 1 1 14 10823 1 1 7 VAL CA C 3.889 -6.349 -1.942 1.00 . A B . 7 VAL CA 1 1 14 10824 1 1 7 VAL CB C 3.597 -7.461 -3.021 1.00 . A B . 7 VAL CB 1 1 14 10825 1 1 7 VAL CG1 C 4.498 -8.677 -2.840 1.00 . A B . 7 VAL CG1 1 1 14 10826 1 1 7 VAL CG2 C 2.118 -7.883 -3.011 1.00 . A B . 7 VAL CG2 1 1 14 10827 1 1 7 VAL H H 5.898 -6.415 -1.326 1.00 . A B . 7 VAL H 1 1 14 10828 1 1 7 VAL HA H 3.298 -5.473 -2.155 1.00 . A B . 7 VAL HA 1 1 14 10829 1 1 7 VAL HB H 3.820 -7.040 -3.990 1.00 . A B . 7 VAL HB 1 1 14 10830 1 1 7 VAL HG11 H 5.532 -8.372 -2.914 1.00 . A B . 7 VAL HG11 1 1 14 10831 1 1 7 VAL HG12 H 4.284 -9.405 -3.607 1.00 . A B . 7 VAL HG12 1 1 14 10832 1 1 7 VAL HG13 H 4.320 -9.114 -1.869 1.00 . A B . 7 VAL HG13 1 1 14 10833 1 1 7 VAL HG21 H 1.948 -8.659 -3.743 1.00 . A B . 7 VAL HG21 1 1 14 10834 1 1 7 VAL HG22 H 1.491 -7.034 -3.238 1.00 . A B . 7 VAL HG22 1 1 14 10835 1 1 7 VAL HG23 H 1.845 -8.250 -2.032 1.00 . A B . 7 VAL HG23 1 1 14 10836 1 1 7 VAL N N 5.268 -5.948 -1.913 1.00 . A B . 7 VAL N 1 1 14 10837 1 1 7 VAL O O 4.287 -7.530 0.091 1.00 . A B . 7 VAL O 1 1 14 10838 1 1 8 ILE C C 0.433 -6.870 1.169 1.00 . A B . 8 ILE C 1 1 14 10839 1 1 8 ILE CA C 1.927 -6.695 1.224 1.00 . A B . 8 ILE CA 1 1 14 10840 1 1 8 ILE CB C 2.268 -5.631 2.351 1.00 . A B . 8 ILE CB 1 1 14 10841 1 1 8 ILE CD1 C 1.953 -3.443 0.955 1.00 . A B . 8 ILE CD1 1 1 14 10842 1 1 8 ILE CG1 C 1.539 -4.262 2.166 1.00 . A B . 8 ILE CG1 1 1 14 10843 1 1 8 ILE CG2 C 3.772 -5.430 2.529 1.00 . A B . 8 ILE CG2 1 1 14 10844 1 1 8 ILE H H 1.812 -5.783 -0.643 1.00 . A B . 8 ILE H 1 1 14 10845 1 1 8 ILE HA H 2.379 -7.641 1.488 1.00 . A B . 8 ILE HA 1 1 14 10846 1 1 8 ILE HB H 1.929 -6.078 3.273 1.00 . A B . 8 ILE HB 1 1 14 10847 1 1 8 ILE HD11 H 1.406 -2.513 0.946 1.00 . A B . 8 ILE HD11 1 1 14 10848 1 1 8 ILE HD12 H 1.739 -3.998 0.052 1.00 . A B . 8 ILE HD12 1 1 14 10849 1 1 8 ILE HD13 H 3.012 -3.238 1.007 1.00 . A B . 8 ILE HD13 1 1 14 10850 1 1 8 ILE HG12 H 0.479 -4.448 2.071 1.00 . A B . 8 ILE HG12 1 1 14 10851 1 1 8 ILE HG13 H 1.705 -3.665 3.050 1.00 . A B . 8 ILE HG13 1 1 14 10852 1 1 8 ILE HG21 H 4.232 -6.369 2.797 1.00 . A B . 8 ILE HG21 1 1 14 10853 1 1 8 ILE HG22 H 3.949 -4.706 3.310 1.00 . A B . 8 ILE HG22 1 1 14 10854 1 1 8 ILE HG23 H 4.196 -5.071 1.602 1.00 . A B . 8 ILE HG23 1 1 14 10855 1 1 8 ILE N N 2.396 -6.350 -0.085 1.00 . A B . 8 ILE N 1 1 14 10856 1 1 8 ILE O O -0.227 -6.375 0.244 1.00 . A B . 8 ILE O 1 1 14 10857 1 1 9 LYS C C -1.997 -7.267 3.568 1.00 . A B . 9 LYS C 1 1 14 10858 1 1 9 LYS CA C -1.506 -7.729 2.212 1.00 . A B . 9 LYS CA 1 1 14 10859 1 1 9 LYS CB C -1.969 -9.152 1.837 1.00 . A B . 9 LYS CB 1 1 14 10860 1 1 9 LYS CD C -1.789 -11.652 2.106 1.00 . A B . 9 LYS CD 1 1 14 10861 1 1 9 LYS CE C -3.289 -11.835 2.347 1.00 . A B . 9 LYS CE 1 1 14 10862 1 1 9 LYS CG C -1.288 -10.291 2.584 1.00 . A B . 9 LYS CG 1 1 14 10863 1 1 9 LYS H H 0.486 -7.980 2.789 1.00 . A B . 9 LYS H 1 1 14 10864 1 1 9 LYS HA H -1.916 -7.032 1.495 1.00 . A B . 9 LYS HA 1 1 14 10865 1 1 9 LYS HB2 H -3.029 -9.216 2.035 1.00 . A B . 9 LYS HB2 1 1 14 10866 1 1 9 LYS HB3 H -1.811 -9.297 0.778 1.00 . A B . 9 LYS HB3 1 1 14 10867 1 1 9 LYS HD2 H -1.597 -11.739 1.047 1.00 . A B . 9 LYS HD2 1 1 14 10868 1 1 9 LYS HD3 H -1.251 -12.428 2.630 1.00 . A B . 9 LYS HD3 1 1 14 10869 1 1 9 LYS HE2 H -3.834 -11.081 1.800 1.00 . A B . 9 LYS HE2 1 1 14 10870 1 1 9 LYS HE3 H -3.581 -12.808 1.981 1.00 . A B . 9 LYS HE3 1 1 14 10871 1 1 9 LYS HG2 H -0.222 -10.230 2.423 1.00 . A B . 9 LYS HG2 1 1 14 10872 1 1 9 LYS HG3 H -1.500 -10.188 3.639 1.00 . A B . 9 LYS HG3 1 1 14 10873 1 1 9 LYS HZ1 H -3.112 -12.434 4.345 1.00 . A B . 9 LYS HZ1 1 1 14 10874 1 1 9 LYS HZ2 H -4.655 -11.910 3.907 1.00 . A B . 9 LYS HZ2 1 1 14 10875 1 1 9 LYS HZ3 H -3.451 -10.784 4.149 1.00 . A B . 9 LYS HZ3 1 1 14 10876 1 1 9 LYS N N -0.094 -7.565 2.115 1.00 . A B . 9 LYS N 1 1 14 10877 1 1 9 LYS NZ N -3.639 -11.738 3.779 1.00 . A B . 9 LYS NZ 1 1 14 10878 1 1 9 LYS O O -2.152 -8.044 4.507 1.00 . A B . 9 LYS O 1 1 14 10879 1 1 10 LEU C C -3.956 -4.823 4.698 1.00 . A B . 10 LEU C 1 1 14 10880 1 1 10 LEU CA C -2.577 -5.332 4.894 1.00 . A B . 10 LEU CA 1 1 14 10881 1 1 10 LEU CB C -1.638 -4.198 5.337 1.00 . A B . 10 LEU CB 1 1 14 10882 1 1 10 LEU CD1 C 0.388 -5.712 5.618 1.00 . A B . 10 LEU CD1 1 1 14 10883 1 1 10 LEU CD2 C 0.465 -3.389 6.456 1.00 . A B . 10 LEU CD2 1 1 14 10884 1 1 10 LEU CG C -0.432 -4.587 6.222 1.00 . A B . 10 LEU CG 1 1 14 10885 1 1 10 LEU H H -1.921 -5.418 2.901 1.00 . A B . 10 LEU H 1 1 14 10886 1 1 10 LEU HA H -2.624 -6.067 5.682 1.00 . A B . 10 LEU HA 1 1 14 10887 1 1 10 LEU HB2 H -1.287 -3.692 4.453 1.00 . A B . 10 LEU HB2 1 1 14 10888 1 1 10 LEU HB3 H -2.237 -3.490 5.891 1.00 . A B . 10 LEU HB3 1 1 14 10889 1 1 10 LEU HD11 H 0.739 -5.393 4.650 1.00 . A B . 10 LEU HD11 1 1 14 10890 1 1 10 LEU HD12 H -0.225 -6.595 5.513 1.00 . A B . 10 LEU HD12 1 1 14 10891 1 1 10 LEU HD13 H 1.234 -5.927 6.255 1.00 . A B . 10 LEU HD13 1 1 14 10892 1 1 10 LEU HD21 H -0.109 -2.579 6.883 1.00 . A B . 10 LEU HD21 1 1 14 10893 1 1 10 LEU HD22 H 0.877 -3.067 5.511 1.00 . A B . 10 LEU HD22 1 1 14 10894 1 1 10 LEU HD23 H 1.267 -3.658 7.128 1.00 . A B . 10 LEU HD23 1 1 14 10895 1 1 10 LEU HG H -0.837 -4.892 7.176 1.00 . A B . 10 LEU HG 1 1 14 10896 1 1 10 LEU N N -2.117 -5.973 3.683 1.00 . A B . 10 LEU N 1 1 14 10897 1 1 10 LEU O O -4.486 -4.853 3.589 1.00 . A B . 10 LEU O 1 1 14 10898 1 1 11 CYS C C -6.150 -2.868 6.698 1.00 . A B . 11 CYS C 1 1 14 10899 1 1 11 CYS CA C -5.896 -3.922 5.678 1.00 . A B . 11 CYS CA 1 1 14 10900 1 1 11 CYS CB C -6.774 -5.146 5.908 1.00 . A B . 11 CYS CB 1 1 14 10901 1 1 11 CYS H H -4.005 -4.254 6.569 1.00 . A B . 11 CYS H 1 1 14 10902 1 1 11 CYS HA H -6.106 -3.536 4.691 1.00 . A B . 11 CYS HA 1 1 14 10903 1 1 11 CYS HB2 H -6.507 -5.786 5.088 1.00 . A B . 11 CYS HB2 1 1 14 10904 1 1 11 CYS HB3 H -6.539 -5.606 6.853 1.00 . A B . 11 CYS HB3 1 1 14 10905 1 1 11 CYS N N -4.527 -4.334 5.734 1.00 . A B . 11 CYS N 1 1 14 10906 1 1 11 CYS O O -5.352 -2.692 7.643 1.00 . A B . 11 CYS O 1 1 14 10907 1 1 11 CYS SG S -8.577 -4.960 5.739 1.00 . A B . 11 CYS SG 1 1 14 10908 1 1 12 GLY C C -6.576 -0.090 7.703 1.00 . A B . 12 GLY C 1 1 14 10909 1 1 12 GLY CA C -7.649 -1.083 7.360 1.00 . A B . 12 GLY CA 1 1 14 10910 1 1 12 GLY H H -7.725 -2.400 5.673 1.00 . A B . 12 GLY H 1 1 14 10911 1 1 12 GLY HA2 H -8.476 -0.544 6.933 1.00 . A B . 12 GLY HA2 1 1 14 10912 1 1 12 GLY HA3 H -7.988 -1.526 8.284 1.00 . A B . 12 GLY HA3 1 1 14 10913 1 1 12 GLY N N -7.213 -2.149 6.476 1.00 . A B . 12 GLY N 1 1 14 10914 1 1 12 GLY O O -5.942 0.514 6.821 1.00 . A B . 12 GLY O 1 1 14 10915 1 1 13 ARG C C -3.971 0.629 9.095 1.00 . A B . 13 ARG C 1 1 14 10916 1 1 13 ARG CA C -5.372 0.963 9.541 1.00 . A B . 13 ARG CA 1 1 14 10917 1 1 13 ARG CB C -5.395 0.938 11.059 1.00 . A B . 13 ARG CB 1 1 14 10918 1 1 13 ARG CD C -6.601 1.161 13.211 1.00 . A B . 13 ARG CD 1 1 14 10919 1 1 13 ARG CG C -6.699 1.334 11.705 1.00 . A B . 13 ARG CG 1 1 14 10920 1 1 13 ARG CZ C -5.774 -0.622 14.762 1.00 . A B . 13 ARG CZ 1 1 14 10921 1 1 13 ARG H H -6.854 -0.564 9.571 1.00 . A B . 13 ARG H 1 1 14 10922 1 1 13 ARG HA H -5.618 1.961 9.209 1.00 . A B . 13 ARG HA 1 1 14 10923 1 1 13 ARG HB2 H -5.163 -0.067 11.382 1.00 . A B . 13 ARG HB2 1 1 14 10924 1 1 13 ARG HB3 H -4.619 1.596 11.420 1.00 . A B . 13 ARG HB3 1 1 14 10925 1 1 13 ARG HD2 H -5.821 1.809 13.584 1.00 . A B . 13 ARG HD2 1 1 14 10926 1 1 13 ARG HD3 H -7.541 1.440 13.663 1.00 . A B . 13 ARG HD3 1 1 14 10927 1 1 13 ARG HE H -6.453 -0.899 12.878 1.00 . A B . 13 ARG HE 1 1 14 10928 1 1 13 ARG HG2 H -6.908 2.368 11.475 1.00 . A B . 13 ARG HG2 1 1 14 10929 1 1 13 ARG HG3 H -7.490 0.706 11.325 1.00 . A B . 13 ARG HG3 1 1 14 10930 1 1 13 ARG HH11 H -5.750 1.243 15.583 1.00 . A B . 13 ARG HH11 1 1 14 10931 1 1 13 ARG HH12 H -5.152 0.027 16.607 1.00 . A B . 13 ARG HH12 1 1 14 10932 1 1 13 ARG HH21 H -5.633 -2.611 14.280 1.00 . A B . 13 ARG HH21 1 1 14 10933 1 1 13 ARG HH22 H -5.121 -2.224 15.852 1.00 . A B . 13 ARG HH22 1 1 14 10934 1 1 13 ARG N N -6.341 0.028 8.982 1.00 . A B . 13 ARG N 1 1 14 10935 1 1 13 ARG NE N -6.281 -0.233 13.581 1.00 . A B . 13 ARG NE 1 1 14 10936 1 1 13 ARG NH1 N -5.548 0.272 15.719 1.00 . A B . 13 ARG NH1 1 1 14 10937 1 1 13 ARG NH2 N -5.489 -1.901 14.977 1.00 . A B . 13 ARG NH2 1 1 14 10938 1 1 13 ARG O O -3.205 1.525 8.761 1.00 . A B . 13 ARG O 1 1 14 10939 1 1 14 GLU C C -2.014 -0.778 7.285 1.00 . A B . 14 GLU C 1 1 14 10940 1 1 14 GLU CA C -2.316 -1.117 8.713 1.00 . A B . 14 GLU CA 1 1 14 10941 1 1 14 GLU CB C -2.151 -2.629 8.917 1.00 . A B . 14 GLU CB 1 1 14 10942 1 1 14 GLU CD C -3.773 -3.220 10.775 1.00 . A B . 14 GLU CD 1 1 14 10943 1 1 14 GLU CG C -2.332 -3.143 10.340 1.00 . A B . 14 GLU CG 1 1 14 10944 1 1 14 GLU H H -4.332 -1.353 9.226 1.00 . A B . 14 GLU H 1 1 14 10945 1 1 14 GLU HA H -1.611 -0.598 9.344 1.00 . A B . 14 GLU HA 1 1 14 10946 1 1 14 GLU HB2 H -2.885 -3.122 8.297 1.00 . A B . 14 GLU HB2 1 1 14 10947 1 1 14 GLU HB3 H -1.172 -2.909 8.563 1.00 . A B . 14 GLU HB3 1 1 14 10948 1 1 14 GLU HG2 H -1.907 -4.134 10.404 1.00 . A B . 14 GLU HG2 1 1 14 10949 1 1 14 GLU HG3 H -1.800 -2.487 11.012 1.00 . A B . 14 GLU HG3 1 1 14 10950 1 1 14 GLU N N -3.652 -0.665 9.048 1.00 . A B . 14 GLU N 1 1 14 10951 1 1 14 GLU O O -0.898 -0.435 6.924 1.00 . A B . 14 GLU O 1 1 14 10952 1 1 14 GLU OE1 O -4.308 -2.238 11.299 1.00 . A B . 14 GLU OE1 1 1 14 10953 1 1 14 GLU OE2 O -4.403 -4.285 10.598 1.00 . A B . 14 GLU OE2 1 1 14 10954 1 1 15 LEU C C -2.645 0.949 4.900 1.00 . A B . 15 LEU C 1 1 14 10955 1 1 15 LEU CA C -2.933 -0.543 5.093 1.00 . A B . 15 LEU CA 1 1 14 10956 1 1 15 LEU CB C -4.216 -0.948 4.403 1.00 . A B . 15 LEU CB 1 1 14 10957 1 1 15 LEU CD1 C -3.117 -2.005 2.462 1.00 . A B . 15 LEU CD1 1 1 14 10958 1 1 15 LEU CD2 C -5.524 -1.439 2.377 1.00 . A B . 15 LEU CD2 1 1 14 10959 1 1 15 LEU CG C -4.176 -1.015 2.898 1.00 . A B . 15 LEU CG 1 1 14 10960 1 1 15 LEU H H -3.888 -1.108 6.893 1.00 . A B . 15 LEU H 1 1 14 10961 1 1 15 LEU HA H -2.113 -1.121 4.695 1.00 . A B . 15 LEU HA 1 1 14 10962 1 1 15 LEU HB2 H -4.498 -1.921 4.776 1.00 . A B . 15 LEU HB2 1 1 14 10963 1 1 15 LEU HB3 H -4.981 -0.243 4.692 1.00 . A B . 15 LEU HB3 1 1 14 10964 1 1 15 LEU HD11 H -3.119 -2.074 1.384 1.00 . A B . 15 LEU HD11 1 1 14 10965 1 1 15 LEU HD12 H -3.341 -2.974 2.885 1.00 . A B . 15 LEU HD12 1 1 14 10966 1 1 15 LEU HD13 H -2.144 -1.682 2.798 1.00 . A B . 15 LEU HD13 1 1 14 10967 1 1 15 LEU HD21 H -6.266 -0.701 2.646 1.00 . A B . 15 LEU HD21 1 1 14 10968 1 1 15 LEU HD22 H -5.788 -2.393 2.811 1.00 . A B . 15 LEU HD22 1 1 14 10969 1 1 15 LEU HD23 H -5.467 -1.535 1.303 1.00 . A B . 15 LEU HD23 1 1 14 10970 1 1 15 LEU HG H -3.940 -0.044 2.489 1.00 . A B . 15 LEU HG 1 1 14 10971 1 1 15 LEU N N -3.034 -0.838 6.490 1.00 . A B . 15 LEU N 1 1 14 10972 1 1 15 LEU O O -1.824 1.331 4.074 1.00 . A B . 15 LEU O 1 1 14 10973 1 1 16 VAL C C -1.638 3.478 6.228 1.00 . A B . 16 VAL C 1 1 14 10974 1 1 16 VAL CA C -3.052 3.217 5.714 1.00 . A B . 16 VAL CA 1 1 14 10975 1 1 16 VAL CB C -4.072 3.955 6.623 1.00 . A B . 16 VAL CB 1 1 14 10976 1 1 16 VAL CG1 C -3.813 5.452 6.655 1.00 . A B . 16 VAL CG1 1 1 14 10977 1 1 16 VAL CG2 C -5.495 3.682 6.183 1.00 . A B . 16 VAL CG2 1 1 14 10978 1 1 16 VAL H H -3.959 1.393 6.323 1.00 . A B . 16 VAL H 1 1 14 10979 1 1 16 VAL HA H -3.115 3.602 4.704 1.00 . A B . 16 VAL HA 1 1 14 10980 1 1 16 VAL HB H -3.950 3.568 7.625 1.00 . A B . 16 VAL HB 1 1 14 10981 1 1 16 VAL HG11 H -3.897 5.855 5.658 1.00 . A B . 16 VAL HG11 1 1 14 10982 1 1 16 VAL HG12 H -2.821 5.634 7.041 1.00 . A B . 16 VAL HG12 1 1 14 10983 1 1 16 VAL HG13 H -4.543 5.919 7.300 1.00 . A B . 16 VAL HG13 1 1 14 10984 1 1 16 VAL HG21 H -5.627 4.009 5.161 1.00 . A B . 16 VAL HG21 1 1 14 10985 1 1 16 VAL HG22 H -6.178 4.220 6.824 1.00 . A B . 16 VAL HG22 1 1 14 10986 1 1 16 VAL HG23 H -5.695 2.623 6.251 1.00 . A B . 16 VAL HG23 1 1 14 10987 1 1 16 VAL N N -3.293 1.770 5.709 1.00 . A B . 16 VAL N 1 1 14 10988 1 1 16 VAL O O -0.935 4.346 5.728 1.00 . A B . 16 VAL O 1 1 14 10989 1 1 17 ARG C C 1.159 2.517 6.706 1.00 . A B . 17 ARG C 1 1 14 10990 1 1 17 ARG CA C 0.111 2.777 7.768 1.00 . A B . 17 ARG CA 1 1 14 10991 1 1 17 ARG CB C 0.286 1.819 8.938 1.00 . A B . 17 ARG CB 1 1 14 10992 1 1 17 ARG CD C -0.352 1.151 11.273 1.00 . A B . 17 ARG CD 1 1 14 10993 1 1 17 ARG CG C -0.468 2.215 10.191 1.00 . A B . 17 ARG CG 1 1 14 10994 1 1 17 ARG CZ C 1.701 1.094 12.684 1.00 . A B . 17 ARG CZ 1 1 14 10995 1 1 17 ARG H H -1.862 2.041 7.588 1.00 . A B . 17 ARG H 1 1 14 10996 1 1 17 ARG HA H 0.240 3.786 8.121 1.00 . A B . 17 ARG HA 1 1 14 10997 1 1 17 ARG HB2 H -0.071 0.849 8.630 1.00 . A B . 17 ARG HB2 1 1 14 10998 1 1 17 ARG HB3 H 1.335 1.744 9.181 1.00 . A B . 17 ARG HB3 1 1 14 10999 1 1 17 ARG HD2 H -0.807 1.524 12.179 1.00 . A B . 17 ARG HD2 1 1 14 11000 1 1 17 ARG HD3 H -0.881 0.265 10.959 1.00 . A B . 17 ARG HD3 1 1 14 11001 1 1 17 ARG HE H 1.469 0.261 10.844 1.00 . A B . 17 ARG HE 1 1 14 11002 1 1 17 ARG HG2 H -0.062 3.142 10.568 1.00 . A B . 17 ARG HG2 1 1 14 11003 1 1 17 ARG HG3 H -1.511 2.353 9.943 1.00 . A B . 17 ARG HG3 1 1 14 11004 1 1 17 ARG HH11 H 0.184 2.192 13.523 1.00 . A B . 17 ARG HH11 1 1 14 11005 1 1 17 ARG HH12 H 1.589 2.075 14.471 1.00 . A B . 17 ARG HH12 1 1 14 11006 1 1 17 ARG HH21 H 3.410 0.097 12.174 1.00 . A B . 17 ARG HH21 1 1 14 11007 1 1 17 ARG HH22 H 3.485 0.882 13.681 1.00 . A B . 17 ARG HH22 1 1 14 11008 1 1 17 ARG N N -1.228 2.693 7.212 1.00 . A B . 17 ARG N 1 1 14 11009 1 1 17 ARG NE N 1.043 0.793 11.558 1.00 . A B . 17 ARG NE 1 1 14 11010 1 1 17 ARG NH1 N 1.116 1.836 13.620 1.00 . A B . 17 ARG NH1 1 1 14 11011 1 1 17 ARG NH2 N 2.946 0.659 12.866 1.00 . A B . 17 ARG NH2 1 1 14 11012 1 1 17 ARG O O 2.129 3.253 6.609 1.00 . A B . 17 ARG O 1 1 14 11013 1 1 18 ALA C C 1.839 2.250 3.739 1.00 . A B . 18 ALA C 1 1 14 11014 1 1 18 ALA CA C 1.817 1.141 4.792 1.00 . A B . 18 ALA CA 1 1 14 11015 1 1 18 ALA CB C 1.390 -0.181 4.169 1.00 . A B . 18 ALA CB 1 1 14 11016 1 1 18 ALA H H 0.120 0.967 6.084 1.00 . A B . 18 ALA H 1 1 14 11017 1 1 18 ALA HA H 2.811 1.030 5.200 1.00 . A B . 18 ALA HA 1 1 14 11018 1 1 18 ALA HB1 H 1.385 -0.950 4.927 1.00 . A B . 18 ALA HB1 1 1 14 11019 1 1 18 ALA HB2 H 2.084 -0.452 3.386 1.00 . A B . 18 ALA HB2 1 1 14 11020 1 1 18 ALA HB3 H 0.400 -0.078 3.753 1.00 . A B . 18 ALA HB3 1 1 14 11021 1 1 18 ALA N N 0.925 1.500 5.898 1.00 . A B . 18 ALA N 1 1 14 11022 1 1 18 ALA O O 2.860 2.521 3.122 1.00 . A B . 18 ALA O 1 1 14 11023 1 1 19 GLN C C 1.372 5.209 3.143 1.00 . A B . 19 GLN C 1 1 14 11024 1 1 19 GLN CA C 0.552 4.023 2.657 1.00 . A B . 19 GLN CA 1 1 14 11025 1 1 19 GLN CB C -0.913 4.389 2.582 1.00 . A B . 19 GLN CB 1 1 14 11026 1 1 19 GLN CD C -3.165 3.631 1.782 1.00 . A B . 19 GLN CD 1 1 14 11027 1 1 19 GLN CG C -1.680 3.520 1.643 1.00 . A B . 19 GLN CG 1 1 14 11028 1 1 19 GLN H H -0.084 2.557 4.047 1.00 . A B . 19 GLN H 1 1 14 11029 1 1 19 GLN HA H 0.890 3.711 1.675 1.00 . A B . 19 GLN HA 1 1 14 11030 1 1 19 GLN HB2 H -1.310 4.223 3.574 1.00 . A B . 19 GLN HB2 1 1 14 11031 1 1 19 GLN HB3 H -1.056 5.430 2.349 1.00 . A B . 19 GLN HB3 1 1 14 11032 1 1 19 GLN HE21 H -3.344 1.748 1.230 1.00 . A B . 19 GLN HE21 1 1 14 11033 1 1 19 GLN HE22 H -4.816 2.566 1.592 1.00 . A B . 19 GLN HE22 1 1 14 11034 1 1 19 GLN HG2 H -1.421 3.815 0.637 1.00 . A B . 19 GLN HG2 1 1 14 11035 1 1 19 GLN HG3 H -1.382 2.497 1.814 1.00 . A B . 19 GLN HG3 1 1 14 11036 1 1 19 GLN N N 0.703 2.884 3.556 1.00 . A B . 19 GLN N 1 1 14 11037 1 1 19 GLN NE2 N -3.841 2.547 1.505 1.00 . A B . 19 GLN NE2 1 1 14 11038 1 1 19 GLN O O 2.150 5.787 2.398 1.00 . A B . 19 GLN O 1 1 14 11039 1 1 19 GLN OE1 O -3.706 4.678 2.149 1.00 . A B . 19 GLN OE1 1 1 14 11040 1 1 20 ILE C C 3.467 6.240 5.013 1.00 . A B . 20 ILE C 1 1 14 11041 1 1 20 ILE CA C 1.970 6.628 5.018 1.00 . A B . 20 ILE CA 1 1 14 11042 1 1 20 ILE CB C 1.487 6.899 6.477 1.00 . A B . 20 ILE CB 1 1 14 11043 1 1 20 ILE CD1 C -0.590 7.526 7.861 1.00 . A B . 20 ILE CD1 1 1 14 11044 1 1 20 ILE CG1 C 0.001 7.303 6.479 1.00 . A B . 20 ILE CG1 1 1 14 11045 1 1 20 ILE CG2 C 2.339 7.985 7.148 1.00 . A B . 20 ILE CG2 1 1 14 11046 1 1 20 ILE H H 0.464 5.113 4.883 1.00 . A B . 20 ILE H 1 1 14 11047 1 1 20 ILE HA H 1.844 7.523 4.427 1.00 . A B . 20 ILE HA 1 1 14 11048 1 1 20 ILE HB H 1.598 5.983 7.037 1.00 . A B . 20 ILE HB 1 1 14 11049 1 1 20 ILE HD11 H -1.627 7.812 7.768 1.00 . A B . 20 ILE HD11 1 1 14 11050 1 1 20 ILE HD12 H -0.043 8.312 8.361 1.00 . A B . 20 ILE HD12 1 1 14 11051 1 1 20 ILE HD13 H -0.517 6.614 8.435 1.00 . A B . 20 ILE HD13 1 1 14 11052 1 1 20 ILE HG12 H -0.115 8.221 5.921 1.00 . A B . 20 ILE HG12 1 1 14 11053 1 1 20 ILE HG13 H -0.571 6.526 5.994 1.00 . A B . 20 ILE HG13 1 1 14 11054 1 1 20 ILE HG21 H 1.987 8.147 8.157 1.00 . A B . 20 ILE HG21 1 1 14 11055 1 1 20 ILE HG22 H 2.257 8.904 6.587 1.00 . A B . 20 ILE HG22 1 1 14 11056 1 1 20 ILE HG23 H 3.372 7.669 7.172 1.00 . A B . 20 ILE HG23 1 1 14 11057 1 1 20 ILE N N 1.185 5.565 4.387 1.00 . A B . 20 ILE N 1 1 14 11058 1 1 20 ILE O O 4.350 7.086 4.846 1.00 . A B . 20 ILE O 1 1 14 11059 1 1 21 ALA C C 5.701 4.555 3.729 1.00 . A B . 21 ALA C 1 1 14 11060 1 1 21 ALA CA C 5.074 4.419 5.115 1.00 . A B . 21 ALA CA 1 1 14 11061 1 1 21 ALA CB C 5.091 2.969 5.572 1.00 . A B . 21 ALA CB 1 1 14 11062 1 1 21 ALA H H 2.978 4.334 5.298 1.00 . A B . 21 ALA H 1 1 14 11063 1 1 21 ALA HA H 5.661 4.995 5.812 1.00 . A B . 21 ALA HA 1 1 14 11064 1 1 21 ALA HB1 H 4.559 2.362 4.853 1.00 . A B . 21 ALA HB1 1 1 14 11065 1 1 21 ALA HB2 H 4.606 2.891 6.533 1.00 . A B . 21 ALA HB2 1 1 14 11066 1 1 21 ALA HB3 H 6.109 2.624 5.655 1.00 . A B . 21 ALA HB3 1 1 14 11067 1 1 21 ALA N N 3.727 4.952 5.147 1.00 . A B . 21 ALA N 1 1 14 11068 1 1 21 ALA O O 6.905 4.785 3.609 1.00 . A B . 21 ALA O 1 1 14 11069 1 1 22 ILE C C 5.485 6.038 0.962 1.00 . A B . 22 ILE C 1 1 14 11070 1 1 22 ILE CA C 5.389 4.550 1.334 1.00 . A B . 22 ILE CA 1 1 14 11071 1 1 22 ILE CB C 4.511 3.723 0.279 1.00 . A B . 22 ILE CB 1 1 14 11072 1 1 22 ILE CD1 C 5.946 4.383 -1.813 1.00 . A B . 22 ILE CD1 1 1 14 11073 1 1 22 ILE CG1 C 5.341 3.280 -0.960 1.00 . A B . 22 ILE CG1 1 1 14 11074 1 1 22 ILE CG2 C 3.245 4.455 -0.172 1.00 . A B . 22 ILE CG2 1 1 14 11075 1 1 22 ILE H H 3.943 4.215 2.843 1.00 . A B . 22 ILE H 1 1 14 11076 1 1 22 ILE HA H 6.395 4.153 1.341 1.00 . A B . 22 ILE HA 1 1 14 11077 1 1 22 ILE HB H 4.150 2.837 0.780 1.00 . A B . 22 ILE HB 1 1 14 11078 1 1 22 ILE HD11 H 6.613 4.978 -1.207 1.00 . A B . 22 ILE HD11 1 1 14 11079 1 1 22 ILE HD12 H 5.157 5.011 -2.202 1.00 . A B . 22 ILE HD12 1 1 14 11080 1 1 22 ILE HD13 H 6.498 3.946 -2.632 1.00 . A B . 22 ILE HD13 1 1 14 11081 1 1 22 ILE HG12 H 6.161 2.665 -0.623 1.00 . A B . 22 ILE HG12 1 1 14 11082 1 1 22 ILE HG13 H 4.694 2.692 -1.594 1.00 . A B . 22 ILE HG13 1 1 14 11083 1 1 22 ILE HG21 H 2.624 4.661 0.687 1.00 . A B . 22 ILE HG21 1 1 14 11084 1 1 22 ILE HG22 H 2.700 3.837 -0.871 1.00 . A B . 22 ILE HG22 1 1 14 11085 1 1 22 ILE HG23 H 3.520 5.383 -0.649 1.00 . A B . 22 ILE HG23 1 1 14 11086 1 1 22 ILE N N 4.890 4.428 2.689 1.00 . A B . 22 ILE N 1 1 14 11087 1 1 22 ILE O O 6.451 6.470 0.385 1.00 . A B . 22 ILE O 1 1 14 11088 1 1 23 CYS C C 5.487 9.050 1.815 1.00 . A B . 23 CYS C 1 1 14 11089 1 1 23 CYS CA C 4.500 8.230 1.012 1.00 . A B . 23 CYS CA 1 1 14 11090 1 1 23 CYS CB C 3.097 8.781 1.147 1.00 . A B . 23 CYS CB 1 1 14 11091 1 1 23 CYS H H 3.771 6.429 1.875 1.00 . A B . 23 CYS H 1 1 14 11092 1 1 23 CYS HA H 4.782 8.294 -0.029 1.00 . A B . 23 CYS HA 1 1 14 11093 1 1 23 CYS HB2 H 2.672 8.376 2.055 1.00 . A B . 23 CYS HB2 1 1 14 11094 1 1 23 CYS HB3 H 3.179 9.850 1.238 1.00 . A B . 23 CYS HB3 1 1 14 11095 1 1 23 CYS N N 4.516 6.822 1.367 1.00 . A B . 23 CYS N 1 1 14 11096 1 1 23 CYS O O 5.985 10.079 1.350 1.00 . A B . 23 CYS O 1 1 14 11097 1 1 23 CYS SG S 2.013 8.333 -0.251 1.00 . A B . 23 CYS SG 1 1 14 11098 1 1 24 GLY C C 8.224 8.742 3.457 1.00 . A B . 24 GLY C 1 1 14 11099 1 1 24 GLY CA C 6.819 9.205 3.796 1.00 . A B . 24 GLY CA 1 1 14 11100 1 1 24 GLY H H 5.325 7.777 3.274 1.00 . A B . 24 GLY H 1 1 14 11101 1 1 24 GLY HA2 H 6.755 10.273 3.653 1.00 . A B . 24 GLY HA2 1 1 14 11102 1 1 24 GLY HA3 H 6.611 8.975 4.829 1.00 . A B . 24 GLY HA3 1 1 14 11103 1 1 24 GLY N N 5.822 8.562 2.964 1.00 . A B . 24 GLY N 1 1 14 11104 1 1 24 GLY O O 9.209 9.331 3.896 1.00 . A B . 24 GLY O 1 1 14 11105 1 1 25 MET C C 9.456 6.933 0.715 1.00 . A B . 25 MET C 1 1 14 11106 1 1 25 MET CA C 9.583 7.147 2.221 1.00 . A B . 25 MET CA 1 1 14 11107 1 1 25 MET CB C 9.837 5.810 2.943 1.00 . A B . 25 MET CB 1 1 14 11108 1 1 25 MET CE C 13.985 5.423 3.177 1.00 . A B . 25 MET CE 1 1 14 11109 1 1 25 MET CG C 11.251 5.262 2.787 1.00 . A B . 25 MET CG 1 1 14 11110 1 1 25 MET H H 7.491 7.278 2.333 1.00 . A B . 25 MET H 1 1 14 11111 1 1 25 MET HA H 10.372 7.853 2.434 1.00 . A B . 25 MET HA 1 1 14 11112 1 1 25 MET HB2 H 9.647 5.947 3.998 1.00 . A B . 25 MET HB2 1 1 14 11113 1 1 25 MET HB3 H 9.143 5.076 2.559 1.00 . A B . 25 MET HB3 1 1 14 11114 1 1 25 MET HE1 H 14.836 5.945 3.589 1.00 . A B . 25 MET HE1 1 1 14 11115 1 1 25 MET HE2 H 14.091 5.352 2.104 1.00 . A B . 25 MET HE2 1 1 14 11116 1 1 25 MET HE3 H 13.933 4.430 3.599 1.00 . A B . 25 MET HE3 1 1 14 11117 1 1 25 MET HG2 H 11.299 4.280 3.235 1.00 . A B . 25 MET HG2 1 1 14 11118 1 1 25 MET HG3 H 11.477 5.185 1.733 1.00 . A B . 25 MET HG3 1 1 14 11119 1 1 25 MET N N 8.311 7.703 2.662 1.00 . A B . 25 MET N 1 1 14 11120 1 1 25 MET O O 9.841 5.897 0.155 1.00 . A B . 25 MET O 1 1 14 11121 1 1 25 MET SD S 12.486 6.318 3.569 1.00 . A B . 25 MET SD 1 1 14 11122 1 1 26 SER C C 9.826 8.060 -2.241 1.00 . A B . 26 SER C 1 1 14 11123 1 1 26 SER CA C 8.620 7.894 -1.331 1.00 . A B . 26 SER CA 1 1 14 11124 1 1 26 SER CB C 7.488 8.876 -1.641 1.00 . A B . 26 SER CB 1 1 14 11125 1 1 26 SER H H 8.838 8.812 0.513 1.00 . A B . 26 SER H 1 1 14 11126 1 1 26 SER HA H 8.239 6.898 -1.501 1.00 . A B . 26 SER HA 1 1 14 11127 1 1 26 SER HB2 H 7.462 9.072 -2.703 1.00 . A B . 26 SER HB2 1 1 14 11128 1 1 26 SER HB3 H 6.555 8.436 -1.327 1.00 . A B . 26 SER HB3 1 1 14 11129 1 1 26 SER HG H 6.977 10.172 -0.282 1.00 . A B . 26 SER HG 1 1 14 11130 1 1 26 SER N N 8.952 7.953 0.058 1.00 . A B . 26 SER N 1 1 14 11131 1 1 26 SER O O 10.024 9.095 -2.889 1.00 . A B . 26 SER O 1 1 14 11132 1 1 26 SER OG O 7.682 10.110 -0.942 1.00 . A B . 26 SER OG 1 1 14 11133 1 1 27 THR C C 11.384 6.627 -4.475 1.00 . A B . 27 THR C 1 1 14 11134 1 1 27 THR CA C 11.817 7.014 -3.077 1.00 . A B . 27 THR CA 1 1 14 11135 1 1 27 THR CB C 12.829 6.007 -2.519 1.00 . A B . 27 THR CB 1 1 14 11136 1 1 27 THR CG2 C 14.170 6.119 -3.236 1.00 . A B . 27 THR CG2 1 1 14 11137 1 1 27 THR H H 10.485 6.370 -1.547 1.00 . A B . 27 THR H 1 1 14 11138 1 1 27 THR HA H 12.253 7.989 -3.115 1.00 . A B . 27 THR HA 1 1 14 11139 1 1 27 THR HB H 12.434 5.010 -2.646 1.00 . A B . 27 THR HB 1 1 14 11140 1 1 27 THR HG1 H 12.685 7.154 -0.911 1.00 . A B . 27 THR HG1 1 1 14 11141 1 1 27 THR HG21 H 14.864 5.405 -2.820 1.00 . A B . 27 THR HG21 1 1 14 11142 1 1 27 THR HG22 H 14.561 7.117 -3.110 1.00 . A B . 27 THR HG22 1 1 14 11143 1 1 27 THR HG23 H 14.032 5.917 -4.289 1.00 . A B . 27 THR HG23 1 1 14 11144 1 1 27 THR N N 10.658 7.064 -2.225 1.00 . A B . 27 THR N 1 1 14 11145 1 1 27 THR O O 11.812 7.199 -5.492 1.00 . A B . 27 THR O 1 1 14 11146 1 1 27 THR OG1 O 13.016 6.267 -1.116 1.00 . A B . 27 THR OG1 1 1 14 11147 1 1 28 TRP C C 8.448 4.943 -5.446 1.00 . A B . 28 TRP C 1 1 14 11148 1 1 28 TRP CA C 9.909 5.173 -5.686 1.00 . A B . 28 TRP CA 1 1 14 11149 1 1 28 TRP CB C 10.580 3.872 -6.163 1.00 . A B . 28 TRP CB 1 1 14 11150 1 1 28 TRP CD1 C 13.139 3.896 -6.113 1.00 . A B . 28 TRP CD1 1 1 14 11151 1 1 28 TRP CD2 C 12.246 4.545 -8.056 1.00 . A B . 28 TRP CD2 1 1 14 11152 1 1 28 TRP CE2 C 13.643 4.615 -8.161 1.00 . A B . 28 TRP CE2 1 1 14 11153 1 1 28 TRP CE3 C 11.467 4.906 -9.161 1.00 . A B . 28 TRP CE3 1 1 14 11154 1 1 28 TRP CG C 11.944 4.083 -6.737 1.00 . A B . 28 TRP CG 1 1 14 11155 1 1 28 TRP CH2 C 13.499 5.379 -10.387 1.00 . A B . 28 TRP CH2 1 1 14 11156 1 1 28 TRP CZ2 C 14.283 5.033 -9.323 1.00 . A B . 28 TRP CZ2 1 1 14 11157 1 1 28 TRP CZ3 C 12.103 5.318 -10.313 1.00 . A B . 28 TRP CZ3 1 1 14 11158 1 1 28 TRP H H 10.273 5.393 -3.594 1.00 . A B . 28 TRP H 1 1 14 11159 1 1 28 TRP HA H 10.020 5.924 -6.453 1.00 . A B . 28 TRP HA 1 1 14 11160 1 1 28 TRP HB2 H 10.674 3.196 -5.326 1.00 . A B . 28 TRP HB2 1 1 14 11161 1 1 28 TRP HB3 H 9.962 3.415 -6.922 1.00 . A B . 28 TRP HB3 1 1 14 11162 1 1 28 TRP HD1 H 13.249 3.551 -5.096 1.00 . A B . 28 TRP HD1 1 1 14 11163 1 1 28 TRP HE1 H 15.120 4.168 -6.754 1.00 . A B . 28 TRP HE1 1 1 14 11164 1 1 28 TRP HE3 H 10.388 4.864 -9.122 1.00 . A B . 28 TRP HE3 1 1 14 11165 1 1 28 TRP HH2 H 13.954 5.709 -11.309 1.00 . A B . 28 TRP HH2 1 1 14 11166 1 1 28 TRP HZ2 H 15.360 5.086 -9.397 1.00 . A B . 28 TRP HZ2 1 1 14 11167 1 1 28 TRP HZ3 H 11.519 5.601 -11.176 1.00 . A B . 28 TRP HZ3 1 1 14 11168 1 1 28 TRP N N 10.516 5.700 -4.490 1.00 . A B . 28 TRP N 1 1 14 11169 1 1 28 TRP NE1 N 14.160 4.218 -6.962 1.00 . A B . 28 TRP NE1 1 1 14 11170 1 1 28 TRP O O 8.075 4.271 -4.487 1.00 . A B . 28 TRP O 1 1 14 11171 1 1 29 SER C C 5.688 4.557 -7.358 1.00 . A B . 29 SER C 1 1 14 11172 1 1 29 SER CA C 6.209 5.360 -6.165 1.00 . A B . 29 SER CA 1 1 14 11173 1 1 29 SER CB C 5.535 6.728 -6.083 1.00 . A B . 29 SER CB 1 1 14 11174 1 1 29 SER H H 7.985 6.084 -6.996 1.00 . A B . 29 SER H 1 1 14 11175 1 1 29 SER HA H 6.006 4.811 -5.258 1.00 . A B . 29 SER HA 1 1 14 11176 1 1 29 SER HB2 H 5.716 7.272 -6.998 1.00 . A B . 29 SER HB2 1 1 14 11177 1 1 29 SER HB3 H 4.472 6.602 -5.940 1.00 . A B . 29 SER HB3 1 1 14 11178 1 1 29 SER HG H 7.027 7.463 -5.078 1.00 . A B . 29 SER HG 1 1 14 11179 1 1 29 SER N N 7.630 5.525 -6.271 1.00 . A B . 29 SER N 1 1 14 11180 1 1 29 SER O O 5.317 5.119 -8.386 1.00 . A B . 29 SER O 1 1 14 11181 1 1 29 SER OG O 6.065 7.477 -4.985 1.00 . A B . 29 SER OG 1 1 14 11182 1 1 30 NH2 HN1 H 6.005 2.871 -6.383 1.00 . A B . 30 NH2 HN1 1 1 14 11183 1 1 30 NH2 HN2 H 5.396 2.718 -7.995 1.00 . A B . 30 NH2 HN2 1 1 14 11184 1 1 30 NH2 N N 5.695 3.253 -7.232 1.00 . A B . 30 NH2 N 1 1 14 11185 2 2 1 PCA C C -12.557 3.219 -5.460 1.00 . B A . 1 PCA C 1 1 14 11186 2 2 1 PCA CA C -14.001 3.646 -5.503 1.00 . B A . 1 PCA CA 1 1 14 11187 2 2 1 PCA CB C -14.814 2.681 -6.338 1.00 . B A . 1 PCA CB 1 1 14 11188 2 2 1 PCA CD C -14.650 4.842 -7.358 1.00 . B A . 1 PCA CD 1 1 14 11189 2 2 1 PCA CG C -15.234 3.453 -7.576 1.00 . B A . 1 PCA CG 1 1 14 11190 2 2 1 PCA HA H -14.356 3.709 -4.489 1.00 . B A . 1 PCA HA 1 1 14 11191 2 2 1 PCA HB2 H -14.202 1.823 -6.618 1.00 . B A . 1 PCA HB2 1 1 14 11192 2 2 1 PCA HB3 H -15.691 2.349 -5.783 1.00 . B A . 1 PCA HB3 1 1 14 11193 2 2 1 PCA HG2 H -14.822 2.987 -8.472 1.00 . B A . 1 PCA HG2 1 1 14 11194 2 2 1 PCA HG3 H -16.318 3.532 -7.640 1.00 . B A . 1 PCA HG3 1 1 14 11195 2 2 1 PCA N N -14.100 4.967 -6.154 1.00 . B A . 1 PCA N 1 1 14 11196 2 2 1 PCA O O -12.219 2.054 -5.248 1.00 . B A . 1 PCA O 1 1 14 11197 2 2 1 PCA OE O -14.680 5.729 -8.207 1.00 . B A . 1 PCA OE 1 1 14 11198 2 2 2 LEU C C -9.752 3.510 -4.393 1.00 . B A . 2 LEU C 1 1 14 11199 2 2 2 LEU CA C -10.280 4.077 -5.654 1.00 . B A . 2 LEU CA 1 1 14 11200 2 2 2 LEU CB C -9.625 5.426 -5.935 1.00 . B A . 2 LEU CB 1 1 14 11201 2 2 2 LEU CD1 C -9.286 7.416 -7.398 1.00 . B A . 2 LEU CD1 1 1 14 11202 2 2 2 LEU CD2 C -9.527 5.164 -8.415 1.00 . B A . 2 LEU CD2 1 1 14 11203 2 2 2 LEU CG C -9.959 6.065 -7.277 1.00 . B A . 2 LEU CG 1 1 14 11204 2 2 2 LEU H H -12.204 5.065 -5.695 1.00 . B A . 2 LEU H 1 1 14 11205 2 2 2 LEU HA H -9.957 3.380 -6.404 1.00 . B A . 2 LEU HA 1 1 14 11206 2 2 2 LEU HB2 H -9.931 6.106 -5.154 1.00 . B A . 2 LEU HB2 1 1 14 11207 2 2 2 LEU HB3 H -8.555 5.299 -5.876 1.00 . B A . 2 LEU HB3 1 1 14 11208 2 2 2 LEU HD11 H -9.510 7.841 -8.364 1.00 . B A . 2 LEU HD11 1 1 14 11209 2 2 2 LEU HD12 H -8.217 7.298 -7.294 1.00 . B A . 2 LEU HD12 1 1 14 11210 2 2 2 LEU HD13 H -9.654 8.074 -6.626 1.00 . B A . 2 LEU HD13 1 1 14 11211 2 2 2 LEU HD21 H -10.038 4.216 -8.349 1.00 . B A . 2 LEU HD21 1 1 14 11212 2 2 2 LEU HD22 H -8.460 5.007 -8.363 1.00 . B A . 2 LEU HD22 1 1 14 11213 2 2 2 LEU HD23 H -9.772 5.640 -9.352 1.00 . B A . 2 LEU HD23 1 1 14 11214 2 2 2 LEU HG H -11.026 6.210 -7.345 1.00 . B A . 2 LEU HG 1 1 14 11215 2 2 2 LEU N N -11.734 4.208 -5.615 1.00 . B A . 2 LEU N 1 1 14 11216 2 2 2 LEU O O -8.958 2.556 -4.407 1.00 . B A . 2 LEU O 1 1 14 11217 2 2 3 TYR C C -10.354 2.280 -1.694 1.00 . B A . 3 TYR C 1 1 14 11218 2 2 3 TYR CA C -9.708 3.589 -2.075 1.00 . B A . 3 TYR CA 1 1 14 11219 2 2 3 TYR CB C -9.876 4.632 -0.991 1.00 . B A . 3 TYR CB 1 1 14 11220 2 2 3 TYR CD1 C -7.605 4.340 -0.135 1.00 . B A . 3 TYR CD1 1 1 14 11221 2 2 3 TYR CD2 C -9.394 4.001 1.383 1.00 . B A . 3 TYR CD2 1 1 14 11222 2 2 3 TYR CE1 C -6.710 4.030 0.812 1.00 . B A . 3 TYR CE1 1 1 14 11223 2 2 3 TYR CE2 C -8.491 3.674 2.365 1.00 . B A . 3 TYR CE2 1 1 14 11224 2 2 3 TYR CG C -8.953 4.339 0.119 1.00 . B A . 3 TYR CG 1 1 14 11225 2 2 3 TYR CZ C -7.142 3.690 2.073 1.00 . B A . 3 TYR CZ 1 1 14 11226 2 2 3 TYR H H -10.934 4.692 -3.343 1.00 . B A . 3 TYR H 1 1 14 11227 2 2 3 TYR HA H -8.654 3.405 -2.219 1.00 . B A . 3 TYR HA 1 1 14 11228 2 2 3 TYR HB2 H -9.650 5.612 -1.386 1.00 . B A . 3 TYR HB2 1 1 14 11229 2 2 3 TYR HB3 H -10.886 4.609 -0.609 1.00 . B A . 3 TYR HB3 1 1 14 11230 2 2 3 TYR HD1 H -7.261 4.608 -1.123 1.00 . B A . 3 TYR HD1 1 1 14 11231 2 2 3 TYR HD2 H -10.453 3.996 1.594 1.00 . B A . 3 TYR HD2 1 1 14 11232 2 2 3 TYR HE1 H -5.671 4.052 0.526 1.00 . B A . 3 TYR HE1 1 1 14 11233 2 2 3 TYR HE2 H -8.842 3.408 3.350 1.00 . B A . 3 TYR HE2 1 1 14 11234 2 2 3 TYR HH H -5.553 4.056 3.020 1.00 . B A . 3 TYR HH 1 1 14 11235 2 2 3 TYR N N -10.214 4.026 -3.307 1.00 . B A . 3 TYR N 1 1 14 11236 2 2 3 TYR O O -9.695 1.382 -1.182 1.00 . B A . 3 TYR O 1 1 14 11237 2 2 3 TYR OH O -6.225 3.361 3.038 1.00 . B A . 3 TYR OH 1 1 14 11238 2 2 4 SER C C -11.793 -0.241 -2.403 1.00 . B A . 4 SER C 1 1 14 11239 2 2 4 SER CA C -12.410 0.997 -1.741 1.00 . B A . 4 SER CA 1 1 14 11240 2 2 4 SER CB C -13.794 1.240 -2.293 1.00 . B A . 4 SER CB 1 1 14 11241 2 2 4 SER H H -12.084 2.930 -2.426 1.00 . B A . 4 SER H 1 1 14 11242 2 2 4 SER HA H -12.487 0.853 -0.674 1.00 . B A . 4 SER HA 1 1 14 11243 2 2 4 SER HB2 H -13.750 1.260 -3.372 1.00 . B A . 4 SER HB2 1 1 14 11244 2 2 4 SER HB3 H -14.461 0.456 -1.970 1.00 . B A . 4 SER HB3 1 1 14 11245 2 2 4 SER HG H -14.998 2.276 -1.216 1.00 . B A . 4 SER HG 1 1 14 11246 2 2 4 SER N N -11.624 2.171 -2.005 1.00 . B A . 4 SER N 1 1 14 11247 2 2 4 SER O O -11.583 -1.275 -1.749 1.00 . B A . 4 SER O 1 1 14 11248 2 2 4 SER OG O -14.284 2.481 -1.830 1.00 . B A . 4 SER OG 1 1 14 11249 2 2 5 ALA C C -9.540 -1.581 -3.929 1.00 . B A . 5 ALA C 1 1 14 11250 2 2 5 ALA CA C -10.919 -1.214 -4.432 1.00 . B A . 5 ALA CA 1 1 14 11251 2 2 5 ALA CB C -10.890 -0.889 -5.907 1.00 . B A . 5 ALA CB 1 1 14 11252 2 2 5 ALA H H -11.647 0.733 -4.140 1.00 . B A . 5 ALA H 1 1 14 11253 2 2 5 ALA HA H -11.559 -2.071 -4.286 1.00 . B A . 5 ALA HA 1 1 14 11254 2 2 5 ALA HB1 H -10.528 -1.745 -6.458 1.00 . B A . 5 ALA HB1 1 1 14 11255 2 2 5 ALA HB2 H -10.232 -0.049 -6.066 1.00 . B A . 5 ALA HB2 1 1 14 11256 2 2 5 ALA HB3 H -11.885 -0.636 -6.244 1.00 . B A . 5 ALA HB3 1 1 14 11257 2 2 5 ALA N N -11.478 -0.121 -3.678 1.00 . B A . 5 ALA N 1 1 14 11258 2 2 5 ALA O O -9.232 -2.766 -3.797 1.00 . B A . 5 ALA O 1 1 14 11259 2 2 6 LEU C C -7.465 -1.532 -1.764 1.00 . B A . 6 LEU C 1 1 14 11260 2 2 6 LEU CA C -7.380 -0.824 -3.105 1.00 . B A . 6 LEU CA 1 1 14 11261 2 2 6 LEU CB C -6.578 0.479 -2.950 1.00 . B A . 6 LEU CB 1 1 14 11262 2 2 6 LEU CD1 C -4.253 -0.397 -3.420 1.00 . B A . 6 LEU CD1 1 1 14 11263 2 2 6 LEU CD2 C -4.550 1.653 -2.007 1.00 . B A . 6 LEU CD2 1 1 14 11264 2 2 6 LEU CG C -5.143 0.316 -2.413 1.00 . B A . 6 LEU CG 1 1 14 11265 2 2 6 LEU H H -9.030 0.350 -3.745 1.00 . B A . 6 LEU H 1 1 14 11266 2 2 6 LEU HA H -6.877 -1.476 -3.805 1.00 . B A . 6 LEU HA 1 1 14 11267 2 2 6 LEU HB2 H -6.528 0.960 -3.915 1.00 . B A . 6 LEU HB2 1 1 14 11268 2 2 6 LEU HB3 H -7.118 1.126 -2.274 1.00 . B A . 6 LEU HB3 1 1 14 11269 2 2 6 LEU HD11 H -3.256 -0.487 -3.017 1.00 . B A . 6 LEU HD11 1 1 14 11270 2 2 6 LEU HD12 H -4.219 0.172 -4.338 1.00 . B A . 6 LEU HD12 1 1 14 11271 2 2 6 LEU HD13 H -4.649 -1.381 -3.620 1.00 . B A . 6 LEU HD13 1 1 14 11272 2 2 6 LEU HD21 H -5.151 2.096 -1.228 1.00 . B A . 6 LEU HD21 1 1 14 11273 2 2 6 LEU HD22 H -4.534 2.309 -2.865 1.00 . B A . 6 LEU HD22 1 1 14 11274 2 2 6 LEU HD23 H -3.542 1.509 -1.648 1.00 . B A . 6 LEU HD23 1 1 14 11275 2 2 6 LEU HG H -5.187 -0.314 -1.536 1.00 . B A . 6 LEU HG 1 1 14 11276 2 2 6 LEU N N -8.721 -0.575 -3.623 1.00 . B A . 6 LEU N 1 1 14 11277 2 2 6 LEU O O -6.877 -2.596 -1.589 1.00 . B A . 6 LEU O 1 1 14 11278 2 2 7 ALA C C -8.853 -2.937 0.445 1.00 . B A . 7 ALA C 1 1 14 11279 2 2 7 ALA CA C -8.427 -1.492 0.492 1.00 . B A . 7 ALA CA 1 1 14 11280 2 2 7 ALA CB C -9.437 -0.667 1.268 1.00 . B A . 7 ALA CB 1 1 14 11281 2 2 7 ALA H H -8.738 -0.136 -1.090 1.00 . B A . 7 ALA H 1 1 14 11282 2 2 7 ALA HA H -7.476 -1.432 1.000 1.00 . B A . 7 ALA HA 1 1 14 11283 2 2 7 ALA HB1 H -9.516 -1.051 2.274 1.00 . B A . 7 ALA HB1 1 1 14 11284 2 2 7 ALA HB2 H -10.401 -0.730 0.783 1.00 . B A . 7 ALA HB2 1 1 14 11285 2 2 7 ALA HB3 H -9.116 0.363 1.300 1.00 . B A . 7 ALA HB3 1 1 14 11286 2 2 7 ALA N N -8.253 -0.958 -0.852 1.00 . B A . 7 ALA N 1 1 14 11287 2 2 7 ALA O O -8.234 -3.794 1.070 1.00 . B A . 7 ALA O 1 1 14 11288 2 2 8 ASN C C -9.339 -5.489 -1.075 1.00 . B A . 8 ASN C 1 1 14 11289 2 2 8 ASN CA C -10.396 -4.549 -0.528 1.00 . B A . 8 ASN CA 1 1 14 11290 2 2 8 ASN CB C -11.601 -4.521 -1.481 1.00 . B A . 8 ASN CB 1 1 14 11291 2 2 8 ASN CG C -12.188 -5.897 -1.748 1.00 . B A . 8 ASN CG 1 1 14 11292 2 2 8 ASN H H -10.269 -2.466 -0.862 1.00 . B A . 8 ASN H 1 1 14 11293 2 2 8 ASN HA H -10.728 -4.909 0.434 1.00 . B A . 8 ASN HA 1 1 14 11294 2 2 8 ASN HB2 H -12.376 -3.902 -1.055 1.00 . B A . 8 ASN HB2 1 1 14 11295 2 2 8 ASN HB3 H -11.288 -4.093 -2.422 1.00 . B A . 8 ASN HB3 1 1 14 11296 2 2 8 ASN HD21 H -11.138 -6.103 -3.438 1.00 . B A . 8 ASN HD21 1 1 14 11297 2 2 8 ASN HD22 H -12.156 -7.411 -3.024 1.00 . B A . 8 ASN HD22 1 1 14 11298 2 2 8 ASN N N -9.863 -3.207 -0.360 1.00 . B A . 8 ASN N 1 1 14 11299 2 2 8 ASN ND2 N -11.788 -6.524 -2.836 1.00 . B A . 8 ASN ND2 1 1 14 11300 2 2 8 ASN O O -9.169 -6.598 -0.596 1.00 . B A . 8 ASN O 1 1 14 11301 2 2 8 ASN OD1 O -13.036 -6.370 -0.992 1.00 . B A . 8 ASN OD1 1 1 14 11302 2 2 9 LYS C C -6.494 -6.222 -1.834 1.00 . B A . 9 LYS C 1 1 14 11303 2 2 9 LYS CA C -7.626 -5.803 -2.736 1.00 . B A . 9 LYS CA 1 1 14 11304 2 2 9 LYS CB C -7.108 -5.036 -3.944 1.00 . B A . 9 LYS CB 1 1 14 11305 2 2 9 LYS CD C -5.958 -5.006 -6.126 1.00 . B A . 9 LYS CD 1 1 14 11306 2 2 9 LYS CE C -5.153 -5.779 -7.139 1.00 . B A . 9 LYS CE 1 1 14 11307 2 2 9 LYS CG C -6.245 -5.826 -4.893 1.00 . B A . 9 LYS CG 1 1 14 11308 2 2 9 LYS H H -8.685 -4.054 -2.264 1.00 . B A . 9 LYS H 1 1 14 11309 2 2 9 LYS HA H -8.103 -6.712 -3.065 1.00 . B A . 9 LYS HA 1 1 14 11310 2 2 9 LYS HB2 H -7.924 -4.583 -4.486 1.00 . B A . 9 LYS HB2 1 1 14 11311 2 2 9 LYS HB3 H -6.505 -4.227 -3.559 1.00 . B A . 9 LYS HB3 1 1 14 11312 2 2 9 LYS HD2 H -6.895 -4.712 -6.577 1.00 . B A . 9 LYS HD2 1 1 14 11313 2 2 9 LYS HD3 H -5.408 -4.125 -5.832 1.00 . B A . 9 LYS HD3 1 1 14 11314 2 2 9 LYS HE2 H -4.178 -5.979 -6.721 1.00 . B A . 9 LYS HE2 1 1 14 11315 2 2 9 LYS HE3 H -5.654 -6.713 -7.350 1.00 . B A . 9 LYS HE3 1 1 14 11316 2 2 9 LYS HG2 H -5.314 -6.073 -4.403 1.00 . B A . 9 LYS HG2 1 1 14 11317 2 2 9 LYS HG3 H -6.760 -6.731 -5.180 1.00 . B A . 9 LYS HG3 1 1 14 11318 2 2 9 LYS HZ1 H -4.464 -4.137 -8.225 1.00 . B A . 9 LYS HZ1 1 1 14 11319 2 2 9 LYS HZ2 H -5.912 -4.795 -8.810 1.00 . B A . 9 LYS HZ2 1 1 14 11320 2 2 9 LYS HZ3 H -4.455 -5.593 -9.081 1.00 . B A . 9 LYS HZ3 1 1 14 11321 2 2 9 LYS N N -8.595 -5.004 -2.028 1.00 . B A . 9 LYS N 1 1 14 11322 2 2 9 LYS NZ N -4.987 -5.022 -8.392 1.00 . B A . 9 LYS NZ 1 1 14 11323 2 2 9 LYS O O -6.155 -7.385 -1.787 1.00 . B A . 9 LYS O 1 1 14 11324 2 2 10 CYS C C -5.324 -6.436 0.953 1.00 . B A . 10 CYS C 1 1 14 11325 2 2 10 CYS CA C -4.831 -5.608 -0.229 1.00 . B A . 10 CYS CA 1 1 14 11326 2 2 10 CYS CB C -4.223 -4.326 0.287 1.00 . B A . 10 CYS CB 1 1 14 11327 2 2 10 CYS H H -6.263 -4.371 -1.166 1.00 . B A . 10 CYS H 1 1 14 11328 2 2 10 CYS HA H -4.081 -6.180 -0.764 1.00 . B A . 10 CYS HA 1 1 14 11329 2 2 10 CYS HB2 H -4.883 -3.905 1.030 1.00 . B A . 10 CYS HB2 1 1 14 11330 2 2 10 CYS HB3 H -3.271 -4.542 0.750 1.00 . B A . 10 CYS HB3 1 1 14 11331 2 2 10 CYS N N -5.941 -5.299 -1.111 1.00 . B A . 10 CYS N 1 1 14 11332 2 2 10 CYS O O -4.618 -7.309 1.440 1.00 . B A . 10 CYS O 1 1 14 11333 2 2 10 CYS SG S -3.951 -3.050 -0.980 1.00 . B A . 10 CYS SG 1 1 14 11334 2 2 11 CYS C C -7.380 -8.322 2.158 1.00 . B A . 11 CYS C 1 1 14 11335 2 2 11 CYS CA C -7.130 -6.858 2.513 1.00 . B A . 11 CYS CA 1 1 14 11336 2 2 11 CYS CB C -8.437 -6.155 2.943 1.00 . B A . 11 CYS CB 1 1 14 11337 2 2 11 CYS H H -7.085 -5.479 0.932 1.00 . B A . 11 CYS H 1 1 14 11338 2 2 11 CYS HA H -6.420 -6.814 3.325 1.00 . B A . 11 CYS HA 1 1 14 11339 2 2 11 CYS HB2 H -8.272 -5.090 2.924 1.00 . B A . 11 CYS HB2 1 1 14 11340 2 2 11 CYS HB3 H -9.203 -6.394 2.220 1.00 . B A . 11 CYS HB3 1 1 14 11341 2 2 11 CYS N N -6.552 -6.173 1.379 1.00 . B A . 11 CYS N 1 1 14 11342 2 2 11 CYS O O -7.219 -9.212 3.001 1.00 . B A . 11 CYS O 1 1 14 11343 2 2 11 CYS SG S -9.077 -6.583 4.605 1.00 . B A . 11 CYS SG 1 1 14 11344 2 2 12 HIS C C -6.780 -10.612 -0.149 1.00 . B A . 12 HIS C 1 1 14 11345 2 2 12 HIS CA C -7.992 -9.935 0.469 1.00 . B A . 12 HIS CA 1 1 14 11346 2 2 12 HIS CB C -9.202 -9.995 -0.473 1.00 . B A . 12 HIS CB 1 1 14 11347 2 2 12 HIS CD2 C -11.105 -8.622 0.610 1.00 . B A . 12 HIS CD2 1 1 14 11348 2 2 12 HIS CE1 C -12.426 -10.226 1.208 1.00 . B A . 12 HIS CE1 1 1 14 11349 2 2 12 HIS CG C -10.514 -9.770 0.224 1.00 . B A . 12 HIS CG 1 1 14 11350 2 2 12 HIS H H -7.796 -7.847 0.242 1.00 . B A . 12 HIS H 1 1 14 11351 2 2 12 HIS HA H -8.243 -10.488 1.362 1.00 . B A . 12 HIS HA 1 1 14 11352 2 2 12 HIS HB2 H -9.089 -9.212 -1.209 1.00 . B A . 12 HIS HB2 1 1 14 11353 2 2 12 HIS HB3 H -9.229 -10.945 -0.981 1.00 . B A . 12 HIS HB3 1 1 14 11354 2 2 12 HIS HD1 H -11.233 -11.745 0.478 1.00 . B A . 12 HIS HD1 1 1 14 11355 2 2 12 HIS HD2 H -10.691 -7.635 0.464 1.00 . B A . 12 HIS HD2 1 1 14 11356 2 2 12 HIS HE1 H -13.259 -10.779 1.616 1.00 . B A . 12 HIS HE1 1 1 14 11357 2 2 12 HIS N N -7.718 -8.581 0.899 1.00 . B A . 12 HIS N 1 1 14 11358 2 2 12 HIS ND1 N -11.368 -10.781 0.612 1.00 . B A . 12 HIS ND1 1 1 14 11359 2 2 12 HIS NE2 N -12.318 -8.910 1.233 1.00 . B A . 12 HIS NE2 1 1 14 11360 2 2 12 HIS O O -6.285 -11.604 0.377 1.00 . B A . 12 HIS O 1 1 14 11361 2 2 13 VAL C C -3.846 -10.078 -1.619 1.00 . B A . 13 VAL C 1 1 14 11362 2 2 13 VAL CA C -5.187 -10.709 -1.938 1.00 . B A . 13 VAL CA 1 1 14 11363 2 2 13 VAL CB C -5.412 -10.802 -3.480 1.00 . B A . 13 VAL CB 1 1 14 11364 2 2 13 VAL CG1 C -6.522 -11.780 -3.792 1.00 . B A . 13 VAL CG1 1 1 14 11365 2 2 13 VAL CG2 C -5.747 -9.450 -4.108 1.00 . B A . 13 VAL CG2 1 1 14 11366 2 2 13 VAL H H -6.616 -9.202 -1.540 1.00 . B A . 13 VAL H 1 1 14 11367 2 2 13 VAL HA H -5.144 -11.717 -1.550 1.00 . B A . 13 VAL HA 1 1 14 11368 2 2 13 VAL HB H -4.477 -11.148 -3.894 1.00 . B A . 13 VAL HB 1 1 14 11369 2 2 13 VAL HG11 H -6.260 -12.760 -3.422 1.00 . B A . 13 VAL HG11 1 1 14 11370 2 2 13 VAL HG12 H -6.682 -11.822 -4.859 1.00 . B A . 13 VAL HG12 1 1 14 11371 2 2 13 VAL HG13 H -7.425 -11.441 -3.305 1.00 . B A . 13 VAL HG13 1 1 14 11372 2 2 13 VAL HG21 H -4.934 -8.762 -3.936 1.00 . B A . 13 VAL HG21 1 1 14 11373 2 2 13 VAL HG22 H -6.649 -9.060 -3.660 1.00 . B A . 13 VAL HG22 1 1 14 11374 2 2 13 VAL HG23 H -5.897 -9.572 -5.170 1.00 . B A . 13 VAL HG23 1 1 14 11375 2 2 13 VAL N N -6.282 -10.072 -1.231 1.00 . B A . 13 VAL N 1 1 14 11376 2 2 13 VAL O O -2.889 -10.773 -1.268 1.00 . B A . 13 VAL O 1 1 14 11377 2 2 14 GLY C C -2.325 -7.102 -2.587 1.00 . B A . 14 GLY C 1 1 14 11378 2 2 14 GLY CA C -2.596 -8.055 -1.477 1.00 . B A . 14 GLY CA 1 1 14 11379 2 2 14 GLY H H -4.604 -8.326 -2.027 1.00 . B A . 14 GLY H 1 1 14 11380 2 2 14 GLY HA2 H -2.648 -7.516 -0.545 1.00 . B A . 14 GLY HA2 1 1 14 11381 2 2 14 GLY HA3 H -1.765 -8.730 -1.404 1.00 . B A . 14 GLY HA3 1 1 14 11382 2 2 14 GLY N N -3.793 -8.790 -1.729 1.00 . B A . 14 GLY N 1 1 14 11383 2 2 14 GLY O O -2.873 -7.250 -3.693 1.00 . B A . 14 GLY O 1 1 14 11384 2 2 15 CYS C C 0.242 -4.788 -3.193 1.00 . B A . 15 CYS C 1 1 14 11385 2 2 15 CYS CA C -1.192 -5.161 -3.310 1.00 . B A . 15 CYS CA 1 1 14 11386 2 2 15 CYS CB C -2.061 -3.931 -3.140 1.00 . B A . 15 CYS CB 1 1 14 11387 2 2 15 CYS H H -1.083 -6.064 -1.449 1.00 . B A . 15 CYS H 1 1 14 11388 2 2 15 CYS HA H -1.382 -5.584 -4.283 1.00 . B A . 15 CYS HA 1 1 14 11389 2 2 15 CYS HB2 H -1.721 -3.170 -3.827 1.00 . B A . 15 CYS HB2 1 1 14 11390 2 2 15 CYS HB3 H -3.082 -4.187 -3.374 1.00 . B A . 15 CYS HB3 1 1 14 11391 2 2 15 CYS N N -1.516 -6.142 -2.331 1.00 . B A . 15 CYS N 1 1 14 11392 2 2 15 CYS O O 0.880 -5.002 -2.143 1.00 . B A . 15 CYS O 1 1 14 11393 2 2 15 CYS SG S -2.008 -3.228 -1.466 1.00 . B A . 15 CYS SG 1 1 14 11394 2 2 16 THR C C 2.197 -2.517 -3.576 1.00 . B A . 16 THR C 1 1 14 11395 2 2 16 THR CA C 2.089 -3.843 -4.244 1.00 . B A . 16 THR CA 1 1 14 11396 2 2 16 THR CB C 2.645 -3.795 -5.665 1.00 . B A . 16 THR CB 1 1 14 11397 2 2 16 THR CG2 C 2.834 -5.193 -6.186 1.00 . B A . 16 THR CG2 1 1 14 11398 2 2 16 THR H H 0.239 -4.107 -5.048 1.00 . B A . 16 THR H 1 1 14 11399 2 2 16 THR HA H 2.657 -4.564 -3.684 1.00 . B A . 16 THR HA 1 1 14 11400 2 2 16 THR HB H 3.601 -3.292 -5.648 1.00 . B A . 16 THR HB 1 1 14 11401 2 2 16 THR HG1 H 1.667 -3.516 -7.366 1.00 . B A . 16 THR HG1 1 1 14 11402 2 2 16 THR HG21 H 1.898 -5.728 -6.125 1.00 . B A . 16 THR HG21 1 1 14 11403 2 2 16 THR HG22 H 3.576 -5.701 -5.591 1.00 . B A . 16 THR HG22 1 1 14 11404 2 2 16 THR HG23 H 3.155 -5.147 -7.216 1.00 . B A . 16 THR HG23 1 1 14 11405 2 2 16 THR N N 0.765 -4.257 -4.235 1.00 . B A . 16 THR N 1 1 14 11406 2 2 16 THR O O 1.262 -1.731 -3.597 1.00 . B A . 16 THR O 1 1 14 11407 2 2 16 THR OG1 O 1.745 -3.072 -6.512 1.00 . B A . 16 THR OG1 1 1 14 11408 2 2 17 LYS C C 3.510 0.101 -3.311 1.00 . B A . 17 LYS C 1 1 14 11409 2 2 17 LYS CA C 3.609 -1.023 -2.292 1.00 . B A . 17 LYS CA 1 1 14 11410 2 2 17 LYS CB C 5.013 -1.092 -1.720 1.00 . B A . 17 LYS CB 1 1 14 11411 2 2 17 LYS CD C 4.664 -0.547 0.730 1.00 . B A . 17 LYS CD 1 1 14 11412 2 2 17 LYS CE C 5.314 -1.814 1.302 1.00 . B A . 17 LYS CE 1 1 14 11413 2 2 17 LYS CG C 5.323 -0.129 -0.587 1.00 . B A . 17 LYS CG 1 1 14 11414 2 2 17 LYS H H 3.987 -3.002 -3.023 1.00 . B A . 17 LYS H 1 1 14 11415 2 2 17 LYS HA H 2.887 -0.842 -1.509 1.00 . B A . 17 LYS HA 1 1 14 11416 2 2 17 LYS HB2 H 5.146 -2.095 -1.351 1.00 . B A . 17 LYS HB2 1 1 14 11417 2 2 17 LYS HB3 H 5.715 -0.922 -2.522 1.00 . B A . 17 LYS HB3 1 1 14 11418 2 2 17 LYS HD2 H 4.773 0.254 1.445 1.00 . B A . 17 LYS HD2 1 1 14 11419 2 2 17 LYS HD3 H 3.614 -0.737 0.559 1.00 . B A . 17 LYS HD3 1 1 14 11420 2 2 17 LYS HE2 H 4.762 -2.115 2.180 1.00 . B A . 17 LYS HE2 1 1 14 11421 2 2 17 LYS HE3 H 5.272 -2.609 0.573 1.00 . B A . 17 LYS HE3 1 1 14 11422 2 2 17 LYS HG2 H 6.394 -0.145 -0.446 1.00 . B A . 17 LYS HG2 1 1 14 11423 2 2 17 LYS HG3 H 4.992 0.860 -0.860 1.00 . B A . 17 LYS HG3 1 1 14 11424 2 2 17 LYS HZ1 H 7.240 -0.915 1.089 1.00 . B A . 17 LYS HZ1 1 1 14 11425 2 2 17 LYS HZ2 H 7.276 -2.475 1.735 1.00 . B A . 17 LYS HZ2 1 1 14 11426 2 2 17 LYS HZ3 H 6.764 -1.204 2.661 1.00 . B A . 17 LYS HZ3 1 1 14 11427 2 2 17 LYS N N 3.325 -2.276 -2.983 1.00 . B A . 17 LYS N 1 1 14 11428 2 2 17 LYS NZ N 6.727 -1.585 1.693 1.00 . B A . 17 LYS NZ 1 1 14 11429 2 2 17 LYS O O 3.040 1.183 -3.016 1.00 . B A . 17 LYS O 1 1 14 11430 2 2 18 ARG C C 2.356 1.008 -5.981 1.00 . B A . 18 ARG C 1 1 14 11431 2 2 18 ARG CA C 3.822 0.637 -5.694 1.00 . B A . 18 ARG CA 1 1 14 11432 2 2 18 ARG CB C 4.408 -0.094 -6.911 1.00 . B A . 18 ARG CB 1 1 14 11433 2 2 18 ARG CD C 6.338 -1.389 -7.937 1.00 . B A . 18 ARG CD 1 1 14 11434 2 2 18 ARG CG C 5.829 -0.629 -6.709 1.00 . B A . 18 ARG CG 1 1 14 11435 2 2 18 ARG CZ C 4.634 -2.653 -9.282 1.00 . B A . 18 ARG CZ 1 1 14 11436 2 2 18 ARG H H 4.247 -1.143 -4.659 1.00 . B A . 18 ARG H 1 1 14 11437 2 2 18 ARG HA H 4.401 1.528 -5.502 1.00 . B A . 18 ARG HA 1 1 14 11438 2 2 18 ARG HB2 H 3.768 -0.929 -7.153 1.00 . B A . 18 ARG HB2 1 1 14 11439 2 2 18 ARG HB3 H 4.420 0.588 -7.749 1.00 . B A . 18 ARG HB3 1 1 14 11440 2 2 18 ARG HD2 H 6.351 -0.728 -8.788 1.00 . B A . 18 ARG HD2 1 1 14 11441 2 2 18 ARG HD3 H 7.347 -1.716 -7.733 1.00 . B A . 18 ARG HD3 1 1 14 11442 2 2 18 ARG HE H 5.670 -3.371 -7.701 1.00 . B A . 18 ARG HE 1 1 14 11443 2 2 18 ARG HG2 H 6.490 0.203 -6.522 1.00 . B A . 18 ARG HG2 1 1 14 11444 2 2 18 ARG HG3 H 5.834 -1.292 -5.856 1.00 . B A . 18 ARG HG3 1 1 14 11445 2 2 18 ARG HH11 H 4.913 -0.729 -9.960 1.00 . B A . 18 ARG HH11 1 1 14 11446 2 2 18 ARG HH12 H 3.755 -1.640 -10.822 1.00 . B A . 18 ARG HH12 1 1 14 11447 2 2 18 ARG HH21 H 4.134 -4.599 -8.933 1.00 . B A . 18 ARG HH21 1 1 14 11448 2 2 18 ARG HH22 H 3.303 -3.885 -10.242 1.00 . B A . 18 ARG HH22 1 1 14 11449 2 2 18 ARG N N 3.892 -0.240 -4.537 1.00 . B A . 18 ARG N 1 1 14 11450 2 2 18 ARG NE N 5.518 -2.578 -8.266 1.00 . B A . 18 ARG NE 1 1 14 11451 2 2 18 ARG NH1 N 4.426 -1.600 -10.077 1.00 . B A . 18 ARG NH1 1 1 14 11452 2 2 18 ARG NH2 N 3.978 -3.787 -9.505 1.00 . B A . 18 ARG NH2 1 1 14 11453 2 2 18 ARG O O 2.050 2.113 -6.430 1.00 . B A . 18 ARG O 1 1 14 11454 2 2 19 SER C C -0.479 1.237 -4.854 1.00 . B A . 19 SER C 1 1 14 11455 2 2 19 SER CA C 0.062 0.274 -5.880 1.00 . B A . 19 SER CA 1 1 14 11456 2 2 19 SER CB C -0.692 -1.073 -5.843 1.00 . B A . 19 SER CB 1 1 14 11457 2 2 19 SER H H 1.752 -0.747 -5.250 1.00 . B A . 19 SER H 1 1 14 11458 2 2 19 SER HA H -0.061 0.714 -6.858 1.00 . B A . 19 SER HA 1 1 14 11459 2 2 19 SER HB2 H -0.284 -1.705 -6.617 1.00 . B A . 19 SER HB2 1 1 14 11460 2 2 19 SER HB3 H -0.526 -1.557 -4.890 1.00 . B A . 19 SER HB3 1 1 14 11461 2 2 19 SER HG H -2.321 0.000 -5.831 1.00 . B A . 19 SER HG 1 1 14 11462 2 2 19 SER N N 1.462 0.091 -5.668 1.00 . B A . 19 SER N 1 1 14 11463 2 2 19 SER O O -1.192 2.162 -5.207 1.00 . B A . 19 SER O 1 1 14 11464 2 2 19 SER OG O -2.095 -0.905 -6.069 1.00 . B A . 19 SER OG 1 1 14 11465 2 2 20 LEU C C 0.030 3.337 -2.815 1.00 . B A . 20 LEU C 1 1 14 11466 2 2 20 LEU CA C -0.605 2.013 -2.566 1.00 . B A . 20 LEU CA 1 1 14 11467 2 2 20 LEU CB C -0.389 1.620 -1.077 1.00 . B A . 20 LEU CB 1 1 14 11468 2 2 20 LEU CD1 C 0.389 -0.749 -0.938 1.00 . B A . 20 LEU CD1 1 1 14 11469 2 2 20 LEU CD2 C -0.999 0.164 0.845 1.00 . B A . 20 LEU CD2 1 1 14 11470 2 2 20 LEU CG C -0.723 0.196 -0.626 1.00 . B A . 20 LEU CG 1 1 14 11471 2 2 20 LEU H H 0.440 0.288 -3.350 1.00 . B A . 20 LEU H 1 1 14 11472 2 2 20 LEU HA H -1.647 2.207 -2.753 1.00 . B A . 20 LEU HA 1 1 14 11473 2 2 20 LEU HB2 H 0.606 1.873 -0.745 1.00 . B A . 20 LEU HB2 1 1 14 11474 2 2 20 LEU HB3 H -1.059 2.264 -0.524 1.00 . B A . 20 LEU HB3 1 1 14 11475 2 2 20 LEU HD11 H 0.100 -1.745 -0.636 1.00 . B A . 20 LEU HD11 1 1 14 11476 2 2 20 LEU HD12 H 1.263 -0.449 -0.380 1.00 . B A . 20 LEU HD12 1 1 14 11477 2 2 20 LEU HD13 H 0.605 -0.741 -1.995 1.00 . B A . 20 LEU HD13 1 1 14 11478 2 2 20 LEU HD21 H -0.164 0.589 1.382 1.00 . B A . 20 LEU HD21 1 1 14 11479 2 2 20 LEU HD22 H -1.139 -0.863 1.148 1.00 . B A . 20 LEU HD22 1 1 14 11480 2 2 20 LEU HD23 H -1.902 0.716 1.052 1.00 . B A . 20 LEU HD23 1 1 14 11481 2 2 20 LEU HG H -1.611 -0.139 -1.138 1.00 . B A . 20 LEU HG 1 1 14 11482 2 2 20 LEU N N -0.123 1.061 -3.579 1.00 . B A . 20 LEU N 1 1 14 11483 2 2 20 LEU O O -0.571 4.359 -2.568 1.00 . B A . 20 LEU O 1 1 14 11484 2 2 21 ALA C C 1.208 5.384 -4.677 1.00 . B A . 21 ALA C 1 1 14 11485 2 2 21 ALA CA C 1.956 4.509 -3.687 1.00 . B A . 21 ALA CA 1 1 14 11486 2 2 21 ALA CB C 3.336 4.183 -4.209 1.00 . B A . 21 ALA CB 1 1 14 11487 2 2 21 ALA H H 1.611 2.410 -3.503 1.00 . B A . 21 ALA H 1 1 14 11488 2 2 21 ALA HA H 2.062 5.075 -2.776 1.00 . B A . 21 ALA HA 1 1 14 11489 2 2 21 ALA HB1 H 3.895 5.097 -4.341 1.00 . B A . 21 ALA HB1 1 1 14 11490 2 2 21 ALA HB2 H 3.248 3.675 -5.158 1.00 . B A . 21 ALA HB2 1 1 14 11491 2 2 21 ALA HB3 H 3.848 3.544 -3.505 1.00 . B A . 21 ALA HB3 1 1 14 11492 2 2 21 ALA N N 1.217 3.302 -3.355 1.00 . B A . 21 ALA N 1 1 14 11493 2 2 21 ALA O O 1.147 6.592 -4.502 1.00 . B A . 21 ALA O 1 1 14 11494 2 2 22 ARG C C -1.474 6.021 -6.196 1.00 . B A . 22 ARG C 1 1 14 11495 2 2 22 ARG CA C -0.113 5.561 -6.695 1.00 . B A . 22 ARG CA 1 1 14 11496 2 2 22 ARG CB C -0.240 4.841 -8.052 1.00 . B A . 22 ARG CB 1 1 14 11497 2 2 22 ARG CD C -1.225 3.004 -9.438 1.00 . B A . 22 ARG CD 1 1 14 11498 2 2 22 ARG CG C -0.993 3.525 -8.028 1.00 . B A . 22 ARG CG 1 1 14 11499 2 2 22 ARG CZ C -3.113 1.428 -9.919 1.00 . B A . 22 ARG CZ 1 1 14 11500 2 2 22 ARG H H 0.638 3.796 -5.743 1.00 . B A . 22 ARG H 1 1 14 11501 2 2 22 ARG HA H 0.480 6.455 -6.836 1.00 . B A . 22 ARG HA 1 1 14 11502 2 2 22 ARG HB2 H -0.745 5.499 -8.743 1.00 . B A . 22 ARG HB2 1 1 14 11503 2 2 22 ARG HB3 H 0.755 4.654 -8.424 1.00 . B A . 22 ARG HB3 1 1 14 11504 2 2 22 ARG HD2 H -1.850 3.707 -9.968 1.00 . B A . 22 ARG HD2 1 1 14 11505 2 2 22 ARG HD3 H -0.273 2.928 -9.941 1.00 . B A . 22 ARG HD3 1 1 14 11506 2 2 22 ARG HE H -1.311 0.950 -9.119 1.00 . B A . 22 ARG HE 1 1 14 11507 2 2 22 ARG HG2 H -0.416 2.800 -7.474 1.00 . B A . 22 ARG HG2 1 1 14 11508 2 2 22 ARG HG3 H -1.948 3.674 -7.544 1.00 . B A . 22 ARG HG3 1 1 14 11509 2 2 22 ARG HH11 H -3.657 3.391 -10.210 1.00 . B A . 22 ARG HH11 1 1 14 11510 2 2 22 ARG HH12 H -4.836 2.265 -10.657 1.00 . B A . 22 ARG HH12 1 1 14 11511 2 2 22 ARG HH21 H -2.982 -0.595 -9.676 1.00 . B A . 22 ARG HH21 1 1 14 11512 2 2 22 ARG HH22 H -4.465 -0.063 -10.308 1.00 . B A . 22 ARG HH22 1 1 14 11513 2 2 22 ARG N N 0.599 4.776 -5.687 1.00 . B A . 22 ARG N 1 1 14 11514 2 2 22 ARG NE N -1.877 1.685 -9.448 1.00 . B A . 22 ARG NE 1 1 14 11515 2 2 22 ARG NH1 N -3.920 2.426 -10.281 1.00 . B A . 22 ARG NH1 1 1 14 11516 2 2 22 ARG NH2 N -3.550 0.177 -9.975 1.00 . B A . 22 ARG NH2 1 1 14 11517 2 2 22 ARG O O -2.073 6.928 -6.760 1.00 . B A . 22 ARG O 1 1 14 11518 2 2 23 PHE C C -3.032 6.837 -3.499 1.00 . B A . 23 PHE C 1 1 14 11519 2 2 23 PHE CA C -3.229 5.809 -4.576 1.00 . B A . 23 PHE CA 1 1 14 11520 2 2 23 PHE CB C -4.048 4.627 -4.069 1.00 . B A . 23 PHE CB 1 1 14 11521 2 2 23 PHE CD1 C -5.867 4.183 -5.734 1.00 . B A . 23 PHE CD1 1 1 14 11522 2 2 23 PHE CD2 C -4.055 2.658 -5.625 1.00 . B A . 23 PHE CD2 1 1 14 11523 2 2 23 PHE CE1 C -6.438 3.433 -6.740 1.00 . B A . 23 PHE CE1 1 1 14 11524 2 2 23 PHE CE2 C -4.618 1.904 -6.627 1.00 . B A . 23 PHE CE2 1 1 14 11525 2 2 23 PHE CG C -4.667 3.803 -5.167 1.00 . B A . 23 PHE CG 1 1 14 11526 2 2 23 PHE CZ C -5.811 2.292 -7.187 1.00 . B A . 23 PHE CZ 1 1 14 11527 2 2 23 PHE H H -1.414 4.696 -4.731 1.00 . B A . 23 PHE H 1 1 14 11528 2 2 23 PHE HA H -3.767 6.292 -5.375 1.00 . B A . 23 PHE HA 1 1 14 11529 2 2 23 PHE HB2 H -3.395 3.985 -3.498 1.00 . B A . 23 PHE HB2 1 1 14 11530 2 2 23 PHE HB3 H -4.832 4.995 -3.426 1.00 . B A . 23 PHE HB3 1 1 14 11531 2 2 23 PHE HD1 H -6.357 5.080 -5.386 1.00 . B A . 23 PHE HD1 1 1 14 11532 2 2 23 PHE HD2 H -3.117 2.350 -5.188 1.00 . B A . 23 PHE HD2 1 1 14 11533 2 2 23 PHE HE1 H -7.376 3.738 -7.177 1.00 . B A . 23 PHE HE1 1 1 14 11534 2 2 23 PHE HE2 H -4.124 1.009 -6.975 1.00 . B A . 23 PHE HE2 1 1 14 11535 2 2 23 PHE HZ H -6.253 1.701 -7.973 1.00 . B A . 23 PHE HZ 1 1 14 11536 2 2 23 PHE N N -1.954 5.407 -5.140 1.00 . B A . 23 PHE N 1 1 14 11537 2 2 23 PHE O O -3.770 7.817 -3.419 1.00 . B A . 23 PHE O 1 1 14 11538 2 2 24 CYS C C -1.151 8.837 -2.243 1.00 . B A . 24 CYS C 1 1 14 11539 2 2 24 CYS CA C -1.638 7.511 -1.631 1.00 . B A . 24 CYS CA 1 1 14 11540 2 2 24 CYS CB C -0.553 6.851 -0.747 1.00 . B A . 24 CYS CB 1 1 14 11541 2 2 24 CYS H H -1.587 5.733 -2.797 1.00 . B A . 24 CYS H 1 1 14 11542 2 2 24 CYS HA H -2.509 7.719 -1.026 1.00 . B A . 24 CYS HA 1 1 14 11543 2 2 24 CYS HB2 H -0.986 6.001 -0.242 1.00 . B A . 24 CYS HB2 1 1 14 11544 2 2 24 CYS HB3 H 0.243 6.501 -1.388 1.00 . B A . 24 CYS HB3 1 1 14 11545 2 2 24 CYS N N -2.051 6.594 -2.683 1.00 . B A . 24 CYS N 1 1 14 11546 2 2 24 CYS O O -1.847 9.854 -2.174 1.00 . B A . 24 CYS O 1 1 14 11547 2 2 24 CYS SG S 0.192 7.914 0.541 1.00 . B A . 24 CYS SG 1 1 14 11548 2 2 25 NH2 HN1 H 0.534 7.999 -2.882 1.00 . B A . 25 NH2 HN1 1 1 14 11549 2 2 25 NH2 HN2 H 0.324 9.667 -3.260 1.00 . B A . 25 NH2 HN2 1 1 14 11550 2 2 25 NH2 N N 0.015 8.831 -2.852 1.00 . B A . 25 NH2 N 1 1 15 11551 1 1 1 ASP C C 11.136 -0.380 -0.020 1.00 . A B . 1 ASP C 1 1 15 11552 1 1 1 ASP CA C 10.969 -0.535 1.455 1.00 . A B . 1 ASP CA 1 1 15 11553 1 1 1 ASP CB C 9.647 0.098 1.853 1.00 . A B . 1 ASP CB 1 1 15 11554 1 1 1 ASP CG C 9.378 0.046 3.329 1.00 . A B . 1 ASP CG 1 1 15 11555 1 1 1 ASP H1 H 12.125 1.129 1.894 1.00 . A B . 1 ASP H1 1 1 15 11556 1 1 1 ASP H2 H 12.984 -0.317 1.830 1.00 . A B . 1 ASP H2 1 1 15 11557 1 1 1 ASP H3 H 11.992 0.017 3.171 1.00 . A B . 1 ASP H3 1 1 15 11558 1 1 1 ASP HA H 10.956 -1.584 1.705 1.00 . A B . 1 ASP HA 1 1 15 11559 1 1 1 ASP HB2 H 9.643 1.125 1.525 1.00 . A B . 1 ASP HB2 1 1 15 11560 1 1 1 ASP HB3 H 8.852 -0.425 1.341 1.00 . A B . 1 ASP HB3 1 1 15 11561 1 1 1 ASP N N 12.092 0.119 2.140 1.00 . A B . 1 ASP N 1 1 15 11562 1 1 1 ASP O O 11.717 0.609 -0.484 1.00 . A B . 1 ASP O 1 1 15 11563 1 1 1 ASP OD1 O 10.091 0.712 4.102 1.00 . A B . 1 ASP OD1 1 1 15 11564 1 1 1 ASP OD2 O 8.407 -0.596 3.739 1.00 . A B . 1 ASP OD2 1 1 15 11565 1 1 2 SER C C 9.350 -0.896 -2.713 1.00 . A B . 2 SER C 1 1 15 11566 1 1 2 SER CA C 10.713 -1.272 -2.195 1.00 . A B . 2 SER CA 1 1 15 11567 1 1 2 SER CB C 11.094 -2.622 -2.761 1.00 . A B . 2 SER CB 1 1 15 11568 1 1 2 SER H H 10.171 -2.083 -0.334 1.00 . A B . 2 SER H 1 1 15 11569 1 1 2 SER HA H 11.443 -0.532 -2.487 1.00 . A B . 2 SER HA 1 1 15 11570 1 1 2 SER HB2 H 10.240 -3.274 -2.701 1.00 . A B . 2 SER HB2 1 1 15 11571 1 1 2 SER HB3 H 11.352 -2.488 -3.802 1.00 . A B . 2 SER HB3 1 1 15 11572 1 1 2 SER HG H 12.738 -2.446 -1.726 1.00 . A B . 2 SER HG 1 1 15 11573 1 1 2 SER N N 10.642 -1.327 -0.761 1.00 . A B . 2 SER N 1 1 15 11574 1 1 2 SER O O 8.337 -1.296 -2.146 1.00 . A B . 2 SER O 1 1 15 11575 1 1 2 SER OG O 12.220 -3.183 -2.079 1.00 . A B . 2 SER OG 1 1 15 11576 1 1 3 TRP C C 7.662 -0.630 -5.413 1.00 . A B . 3 TRP C 1 1 15 11577 1 1 3 TRP CA C 8.062 0.292 -4.286 1.00 . A B . 3 TRP CA 1 1 15 11578 1 1 3 TRP CB C 8.079 1.760 -4.751 1.00 . A B . 3 TRP CB 1 1 15 11579 1 1 3 TRP CD1 C 9.260 3.866 -3.883 1.00 . A B . 3 TRP CD1 1 1 15 11580 1 1 3 TRP CD2 C 8.202 2.735 -2.272 1.00 . A B . 3 TRP CD2 1 1 15 11581 1 1 3 TRP CE2 C 8.815 3.863 -1.701 1.00 . A B . 3 TRP CE2 1 1 15 11582 1 1 3 TRP CE3 C 7.486 1.879 -1.440 1.00 . A B . 3 TRP CE3 1 1 15 11583 1 1 3 TRP CG C 8.495 2.761 -3.688 1.00 . A B . 3 TRP CG 1 1 15 11584 1 1 3 TRP CH2 C 8.028 3.288 0.438 1.00 . A B . 3 TRP CH2 1 1 15 11585 1 1 3 TRP CZ2 C 8.734 4.150 -0.346 1.00 . A B . 3 TRP CZ2 1 1 15 11586 1 1 3 TRP CZ3 C 7.408 2.160 -0.103 1.00 . A B . 3 TRP CZ3 1 1 15 11587 1 1 3 TRP H H 10.159 0.184 -4.121 1.00 . A B . 3 TRP H 1 1 15 11588 1 1 3 TRP HA H 7.317 0.186 -3.515 1.00 . A B . 3 TRP HA 1 1 15 11589 1 1 3 TRP HB2 H 8.769 1.855 -5.576 1.00 . A B . 3 TRP HB2 1 1 15 11590 1 1 3 TRP HB3 H 7.090 2.028 -5.092 1.00 . A B . 3 TRP HB3 1 1 15 11591 1 1 3 TRP HD1 H 9.655 4.179 -4.838 1.00 . A B . 3 TRP HD1 1 1 15 11592 1 1 3 TRP HE1 H 9.954 5.367 -2.595 1.00 . A B . 3 TRP HE1 1 1 15 11593 1 1 3 TRP HE3 H 6.991 0.999 -1.818 1.00 . A B . 3 TRP HE3 1 1 15 11594 1 1 3 TRP HH2 H 7.937 3.468 1.499 1.00 . A B . 3 TRP HH2 1 1 15 11595 1 1 3 TRP HZ2 H 9.210 5.021 0.080 1.00 . A B . 3 TRP HZ2 1 1 15 11596 1 1 3 TRP HZ3 H 6.853 1.483 0.529 1.00 . A B . 3 TRP HZ3 1 1 15 11597 1 1 3 TRP N N 9.312 -0.110 -3.725 1.00 . A B . 3 TRP N 1 1 15 11598 1 1 3 TRP NE1 N 9.440 4.536 -2.701 1.00 . A B . 3 TRP NE1 1 1 15 11599 1 1 3 TRP O O 6.540 -1.160 -5.431 1.00 . A B . 3 TRP O 1 1 15 11600 1 1 4 MET C C 7.987 -3.048 -7.265 1.00 . A B . 4 MET C 1 1 15 11601 1 1 4 MET CA C 8.299 -1.593 -7.555 1.00 . A B . 4 MET CA 1 1 15 11602 1 1 4 MET CB C 9.453 -1.439 -8.576 1.00 . A B . 4 MET CB 1 1 15 11603 1 1 4 MET CE C 10.534 -4.236 -9.980 1.00 . A B . 4 MET CE 1 1 15 11604 1 1 4 MET CG C 9.123 -1.846 -10.032 1.00 . A B . 4 MET CG 1 1 15 11605 1 1 4 MET H H 9.511 -0.538 -6.174 1.00 . A B . 4 MET H 1 1 15 11606 1 1 4 MET HA H 7.411 -1.151 -7.980 1.00 . A B . 4 MET HA 1 1 15 11607 1 1 4 MET HB2 H 9.752 -0.402 -8.588 1.00 . A B . 4 MET HB2 1 1 15 11608 1 1 4 MET HB3 H 10.290 -2.034 -8.239 1.00 . A B . 4 MET HB3 1 1 15 11609 1 1 4 MET HE1 H 11.234 -3.779 -10.663 1.00 . A B . 4 MET HE1 1 1 15 11610 1 1 4 MET HE2 H 10.548 -5.309 -10.110 1.00 . A B . 4 MET HE2 1 1 15 11611 1 1 4 MET HE3 H 10.808 -3.996 -8.964 1.00 . A B . 4 MET HE3 1 1 15 11612 1 1 4 MET HG2 H 8.212 -1.345 -10.325 1.00 . A B . 4 MET HG2 1 1 15 11613 1 1 4 MET HG3 H 9.925 -1.500 -10.667 1.00 . A B . 4 MET HG3 1 1 15 11614 1 1 4 MET N N 8.599 -0.865 -6.336 1.00 . A B . 4 MET N 1 1 15 11615 1 1 4 MET O O 6.939 -3.549 -7.689 1.00 . A B . 4 MET O 1 1 15 11616 1 1 4 MET SD S 8.886 -3.621 -10.309 1.00 . A B . 4 MET SD 1 1 15 11617 1 1 5 GLU C C 8.485 -5.294 -4.668 1.00 . A B . 5 GLU C 1 1 15 11618 1 1 5 GLU CA C 8.537 -5.066 -6.159 1.00 . A B . 5 GLU CA 1 1 15 11619 1 1 5 GLU CB C 9.528 -6.031 -6.804 1.00 . A B . 5 GLU CB 1 1 15 11620 1 1 5 GLU CD C 10.158 -8.452 -7.065 1.00 . A B . 5 GLU CD 1 1 15 11621 1 1 5 GLU CG C 9.091 -7.483 -6.683 1.00 . A B . 5 GLU CG 1 1 15 11622 1 1 5 GLU H H 9.595 -3.263 -6.083 1.00 . A B . 5 GLU H 1 1 15 11623 1 1 5 GLU HA H 7.553 -5.280 -6.551 1.00 . A B . 5 GLU HA 1 1 15 11624 1 1 5 GLU HB2 H 9.629 -5.786 -7.851 1.00 . A B . 5 GLU HB2 1 1 15 11625 1 1 5 GLU HB3 H 10.487 -5.926 -6.319 1.00 . A B . 5 GLU HB3 1 1 15 11626 1 1 5 GLU HG2 H 8.803 -7.676 -5.660 1.00 . A B . 5 GLU HG2 1 1 15 11627 1 1 5 GLU HG3 H 8.234 -7.639 -7.322 1.00 . A B . 5 GLU HG3 1 1 15 11628 1 1 5 GLU N N 8.801 -3.695 -6.467 1.00 . A B . 5 GLU N 1 1 15 11629 1 1 5 GLU O O 9.497 -5.597 -4.020 1.00 . A B . 5 GLU O 1 1 15 11630 1 1 5 GLU OE1 O 10.417 -8.634 -8.267 1.00 . A B . 5 GLU OE1 1 1 15 11631 1 1 5 GLU OE2 O 10.764 -9.064 -6.154 1.00 . A B . 5 GLU OE2 1 1 15 11632 1 1 6 GLU C C 5.570 -5.566 -2.770 1.00 . A B . 6 GLU C 1 1 15 11633 1 1 6 GLU CA C 7.039 -5.385 -2.782 1.00 . A B . 6 GLU CA 1 1 15 11634 1 1 6 GLU CB C 7.420 -4.268 -1.822 1.00 . A B . 6 GLU CB 1 1 15 11635 1 1 6 GLU CD C 8.177 -3.636 0.504 1.00 . A B . 6 GLU CD 1 1 15 11636 1 1 6 GLU CG C 7.612 -4.722 -0.380 1.00 . A B . 6 GLU CG 1 1 15 11637 1 1 6 GLU H H 6.615 -4.691 -4.672 1.00 . A B . 6 GLU H 1 1 15 11638 1 1 6 GLU HA H 7.530 -6.310 -2.516 1.00 . A B . 6 GLU HA 1 1 15 11639 1 1 6 GLU HB2 H 8.246 -3.665 -2.162 1.00 . A B . 6 GLU HB2 1 1 15 11640 1 1 6 GLU HB3 H 6.533 -3.657 -1.807 1.00 . A B . 6 GLU HB3 1 1 15 11641 1 1 6 GLU HG2 H 6.655 -5.023 0.020 1.00 . A B . 6 GLU HG2 1 1 15 11642 1 1 6 GLU HG3 H 8.282 -5.568 -0.364 1.00 . A B . 6 GLU HG3 1 1 15 11643 1 1 6 GLU N N 7.339 -5.077 -4.134 1.00 . A B . 6 GLU N 1 1 15 11644 1 1 6 GLU O O 4.860 -4.866 -3.500 1.00 . A B . 6 GLU O 1 1 15 11645 1 1 6 GLU OE1 O 9.420 -3.449 0.516 1.00 . A B . 6 GLU OE1 1 1 15 11646 1 1 6 GLU OE2 O 7.406 -2.965 1.216 1.00 . A B . 6 GLU OE2 1 1 15 11647 1 1 7 VAL C C 3.336 -7.110 -0.533 1.00 . A B . 7 VAL C 1 1 15 11648 1 1 7 VAL CA C 3.732 -6.810 -1.952 1.00 . A B . 7 VAL CA 1 1 15 11649 1 1 7 VAL CB C 3.368 -7.994 -2.916 1.00 . A B . 7 VAL CB 1 1 15 11650 1 1 7 VAL CG1 C 4.257 -9.192 -2.679 1.00 . A B . 7 VAL CG1 1 1 15 11651 1 1 7 VAL CG2 C 1.897 -8.397 -2.792 1.00 . A B . 7 VAL CG2 1 1 15 11652 1 1 7 VAL H H 5.767 -6.905 -1.414 1.00 . A B . 7 VAL H 1 1 15 11653 1 1 7 VAL HA H 3.179 -5.935 -2.259 1.00 . A B . 7 VAL HA 1 1 15 11654 1 1 7 VAL HB H 3.540 -7.656 -3.928 1.00 . A B . 7 VAL HB 1 1 15 11655 1 1 7 VAL HG11 H 4.187 -9.492 -1.644 1.00 . A B . 7 VAL HG11 1 1 15 11656 1 1 7 VAL HG12 H 5.279 -8.942 -2.920 1.00 . A B . 7 VAL HG12 1 1 15 11657 1 1 7 VAL HG13 H 3.922 -10.004 -3.306 1.00 . A B . 7 VAL HG13 1 1 15 11658 1 1 7 VAL HG21 H 1.266 -7.560 -3.051 1.00 . A B . 7 VAL HG21 1 1 15 11659 1 1 7 VAL HG22 H 1.691 -8.698 -1.775 1.00 . A B . 7 VAL HG22 1 1 15 11660 1 1 7 VAL HG23 H 1.689 -9.224 -3.455 1.00 . A B . 7 VAL HG23 1 1 15 11661 1 1 7 VAL N N 5.123 -6.467 -2.007 1.00 . A B . 7 VAL N 1 1 15 11662 1 1 7 VAL O O 3.992 -7.893 0.178 1.00 . A B . 7 VAL O 1 1 15 11663 1 1 8 ILE C C 0.433 -7.127 1.231 1.00 . A B . 8 ILE C 1 1 15 11664 1 1 8 ILE CA C 1.855 -6.652 1.232 1.00 . A B . 8 ILE CA 1 1 15 11665 1 1 8 ILE CB C 1.958 -5.346 2.063 1.00 . A B . 8 ILE CB 1 1 15 11666 1 1 8 ILE CD1 C 1.071 -2.950 2.224 1.00 . A B . 8 ILE CD1 1 1 15 11667 1 1 8 ILE CG1 C 1.036 -4.268 1.484 1.00 . A B . 8 ILE CG1 1 1 15 11668 1 1 8 ILE CG2 C 3.409 -4.859 2.139 1.00 . A B . 8 ILE CG2 1 1 15 11669 1 1 8 ILE H H 1.784 -5.916 -0.718 1.00 . A B . 8 ILE H 1 1 15 11670 1 1 8 ILE HA H 2.475 -7.403 1.698 1.00 . A B . 8 ILE HA 1 1 15 11671 1 1 8 ILE HB H 1.638 -5.582 3.065 1.00 . A B . 8 ILE HB 1 1 15 11672 1 1 8 ILE HD11 H 0.406 -2.249 1.741 1.00 . A B . 8 ILE HD11 1 1 15 11673 1 1 8 ILE HD12 H 2.076 -2.556 2.213 1.00 . A B . 8 ILE HD12 1 1 15 11674 1 1 8 ILE HD13 H 0.752 -3.103 3.244 1.00 . A B . 8 ILE HD13 1 1 15 11675 1 1 8 ILE HG12 H 1.313 -4.111 0.455 1.00 . A B . 8 ILE HG12 1 1 15 11676 1 1 8 ILE HG13 H 0.022 -4.641 1.507 1.00 . A B . 8 ILE HG13 1 1 15 11677 1 1 8 ILE HG21 H 3.451 -3.946 2.715 1.00 . A B . 8 ILE HG21 1 1 15 11678 1 1 8 ILE HG22 H 3.779 -4.674 1.142 1.00 . A B . 8 ILE HG22 1 1 15 11679 1 1 8 ILE HG23 H 4.018 -5.614 2.612 1.00 . A B . 8 ILE HG23 1 1 15 11680 1 1 8 ILE N N 2.301 -6.483 -0.102 1.00 . A B . 8 ILE N 1 1 15 11681 1 1 8 ILE O O -0.261 -7.087 0.198 1.00 . A B . 8 ILE O 1 1 15 11682 1 1 9 LYS C C -1.816 -7.413 3.864 1.00 . A B . 9 LYS C 1 1 15 11683 1 1 9 LYS CA C -1.325 -8.003 2.559 1.00 . A B . 9 LYS CA 1 1 15 11684 1 1 9 LYS CB C -1.408 -9.532 2.555 1.00 . A B . 9 LYS CB 1 1 15 11685 1 1 9 LYS CD C -2.835 -11.604 2.687 1.00 . A B . 9 LYS CD 1 1 15 11686 1 1 9 LYS CE C -2.290 -12.188 1.390 1.00 . A B . 9 LYS CE 1 1 15 11687 1 1 9 LYS CG C -2.824 -10.084 2.671 1.00 . A B . 9 LYS CG 1 1 15 11688 1 1 9 LYS H H 0.640 -7.553 3.111 1.00 . A B . 9 LYS H 1 1 15 11689 1 1 9 LYS HA H -1.916 -7.605 1.745 1.00 . A B . 9 LYS HA 1 1 15 11690 1 1 9 LYS HB2 H -0.981 -9.883 1.627 1.00 . A B . 9 LYS HB2 1 1 15 11691 1 1 9 LYS HB3 H -0.820 -9.913 3.376 1.00 . A B . 9 LYS HB3 1 1 15 11692 1 1 9 LYS HD2 H -2.220 -11.946 3.506 1.00 . A B . 9 LYS HD2 1 1 15 11693 1 1 9 LYS HD3 H -3.849 -11.941 2.835 1.00 . A B . 9 LYS HD3 1 1 15 11694 1 1 9 LYS HE2 H -2.888 -11.832 0.565 1.00 . A B . 9 LYS HE2 1 1 15 11695 1 1 9 LYS HE3 H -1.270 -11.860 1.260 1.00 . A B . 9 LYS HE3 1 1 15 11696 1 1 9 LYS HG2 H -3.265 -9.722 3.589 1.00 . A B . 9 LYS HG2 1 1 15 11697 1 1 9 LYS HG3 H -3.407 -9.733 1.832 1.00 . A B . 9 LYS HG3 1 1 15 11698 1 1 9 LYS HZ1 H -1.909 -14.039 0.513 1.00 . A B . 9 LYS HZ1 1 1 15 11699 1 1 9 LYS HZ2 H -3.293 -14.017 1.468 1.00 . A B . 9 LYS HZ2 1 1 15 11700 1 1 9 LYS HZ3 H -1.770 -14.040 2.188 1.00 . A B . 9 LYS HZ3 1 1 15 11701 1 1 9 LYS N N 0.010 -7.557 2.358 1.00 . A B . 9 LYS N 1 1 15 11702 1 1 9 LYS NZ N -2.318 -13.661 1.391 1.00 . A B . 9 LYS NZ 1 1 15 11703 1 1 9 LYS O O -1.776 -8.045 4.922 1.00 . A B . 9 LYS O 1 1 15 11704 1 1 10 LEU C C -4.016 -4.970 4.664 1.00 . A B . 10 LEU C 1 1 15 11705 1 1 10 LEU CA C -2.618 -5.390 4.914 1.00 . A B . 10 LEU CA 1 1 15 11706 1 1 10 LEU CB C -1.735 -4.162 5.196 1.00 . A B . 10 LEU CB 1 1 15 11707 1 1 10 LEU CD1 C 0.400 -5.462 5.683 1.00 . A B . 10 LEU CD1 1 1 15 11708 1 1 10 LEU CD2 C 0.253 -3.061 6.246 1.00 . A B . 10 LEU CD2 1 1 15 11709 1 1 10 LEU CG C -0.525 -4.351 6.136 1.00 . A B . 10 LEU CG 1 1 15 11710 1 1 10 LEU H H -2.094 -5.718 2.919 1.00 . A B . 10 LEU H 1 1 15 11711 1 1 10 LEU HA H -2.640 -6.009 5.798 1.00 . A B . 10 LEU HA 1 1 15 11712 1 1 10 LEU HB2 H -1.391 -3.777 4.249 1.00 . A B . 10 LEU HB2 1 1 15 11713 1 1 10 LEU HB3 H -2.374 -3.408 5.630 1.00 . A B . 10 LEU HB3 1 1 15 11714 1 1 10 LEU HD11 H 1.207 -5.574 6.391 1.00 . A B . 10 LEU HD11 1 1 15 11715 1 1 10 LEU HD12 H 0.806 -5.192 4.721 1.00 . A B . 10 LEU HD12 1 1 15 11716 1 1 10 LEU HD13 H -0.149 -6.388 5.600 1.00 . A B . 10 LEU HD13 1 1 15 11717 1 1 10 LEU HD21 H 1.052 -3.180 6.959 1.00 . A B . 10 LEU HD21 1 1 15 11718 1 1 10 LEU HD22 H -0.402 -2.269 6.579 1.00 . A B . 10 LEU HD22 1 1 15 11719 1 1 10 LEU HD23 H 0.670 -2.801 5.284 1.00 . A B . 10 LEU HD23 1 1 15 11720 1 1 10 LEU HG H -0.915 -4.583 7.116 1.00 . A B . 10 LEU HG 1 1 15 11721 1 1 10 LEU N N -2.141 -6.158 3.791 1.00 . A B . 10 LEU N 1 1 15 11722 1 1 10 LEU O O -4.558 -5.194 3.578 1.00 . A B . 10 LEU O 1 1 15 11723 1 1 11 CYS C C -6.155 -2.738 6.409 1.00 . A B . 11 CYS C 1 1 15 11724 1 1 11 CYS CA C -5.972 -3.966 5.553 1.00 . A B . 11 CYS CA 1 1 15 11725 1 1 11 CYS CB C -6.822 -5.069 6.163 1.00 . A B . 11 CYS CB 1 1 15 11726 1 1 11 CYS H H -4.070 -4.103 6.428 1.00 . A B . 11 CYS H 1 1 15 11727 1 1 11 CYS HA H -6.275 -3.798 4.531 1.00 . A B . 11 CYS HA 1 1 15 11728 1 1 11 CYS HB2 H -6.390 -5.083 7.145 1.00 . A B . 11 CYS HB2 1 1 15 11729 1 1 11 CYS HB3 H -7.865 -4.793 6.203 1.00 . A B . 11 CYS HB3 1 1 15 11730 1 1 11 CYS N N -4.592 -4.349 5.629 1.00 . A B . 11 CYS N 1 1 15 11731 1 1 11 CYS O O -5.232 -2.380 7.152 1.00 . A B . 11 CYS O 1 1 15 11732 1 1 11 CYS SG S -6.625 -6.766 5.485 1.00 . A B . 11 CYS SG 1 1 15 11733 1 1 12 GLY C C -6.700 0.040 7.452 1.00 . A B . 12 GLY C 1 1 15 11734 1 1 12 GLY CA C -7.741 -0.994 7.127 1.00 . A B . 12 GLY CA 1 1 15 11735 1 1 12 GLY H H -7.918 -2.378 5.550 1.00 . A B . 12 GLY H 1 1 15 11736 1 1 12 GLY HA2 H -8.575 -0.477 6.685 1.00 . A B . 12 GLY HA2 1 1 15 11737 1 1 12 GLY HA3 H -8.082 -1.430 8.054 1.00 . A B . 12 GLY HA3 1 1 15 11738 1 1 12 GLY N N -7.311 -2.095 6.268 1.00 . A B . 12 GLY N 1 1 15 11739 1 1 12 GLY O O -6.081 0.651 6.560 1.00 . A B . 12 GLY O 1 1 15 11740 1 1 13 ARG C C -4.128 0.798 8.982 1.00 . A B . 13 ARG C 1 1 15 11741 1 1 13 ARG CA C -5.573 1.181 9.248 1.00 . A B . 13 ARG CA 1 1 15 11742 1 1 13 ARG CB C -5.812 1.439 10.737 1.00 . A B . 13 ARG CB 1 1 15 11743 1 1 13 ARG CD C -7.403 3.365 10.322 1.00 . A B . 13 ARG CD 1 1 15 11744 1 1 13 ARG CG C -7.174 2.051 11.066 1.00 . A B . 13 ARG CG 1 1 15 11745 1 1 13 ARG CZ C -6.123 5.465 9.888 1.00 . A B . 13 ARG CZ 1 1 15 11746 1 1 13 ARG H H -7.003 -0.374 9.332 1.00 . A B . 13 ARG H 1 1 15 11747 1 1 13 ARG HA H -5.754 2.101 8.714 1.00 . A B . 13 ARG HA 1 1 15 11748 1 1 13 ARG HB2 H -5.735 0.499 11.262 1.00 . A B . 13 ARG HB2 1 1 15 11749 1 1 13 ARG HB3 H -5.042 2.106 11.096 1.00 . A B . 13 ARG HB3 1 1 15 11750 1 1 13 ARG HD2 H -7.412 3.170 9.261 1.00 . A B . 13 ARG HD2 1 1 15 11751 1 1 13 ARG HD3 H -8.360 3.768 10.618 1.00 . A B . 13 ARG HD3 1 1 15 11752 1 1 13 ARG HE H -5.824 4.153 11.411 1.00 . A B . 13 ARG HE 1 1 15 11753 1 1 13 ARG HG2 H -7.948 1.355 10.778 1.00 . A B . 13 ARG HG2 1 1 15 11754 1 1 13 ARG HG3 H -7.230 2.233 12.129 1.00 . A B . 13 ARG HG3 1 1 15 11755 1 1 13 ARG HH11 H -7.629 5.157 8.528 1.00 . A B . 13 ARG HH11 1 1 15 11756 1 1 13 ARG HH12 H -6.712 6.581 8.281 1.00 . A B . 13 ARG HH12 1 1 15 11757 1 1 13 ARG HH21 H -4.547 6.106 11.033 1.00 . A B . 13 ARG HH21 1 1 15 11758 1 1 13 ARG HH22 H -4.917 7.118 9.724 1.00 . A B . 13 ARG HH22 1 1 15 11759 1 1 13 ARG N N -6.496 0.208 8.723 1.00 . A B . 13 ARG N 1 1 15 11760 1 1 13 ARG NE N -6.363 4.361 10.612 1.00 . A B . 13 ARG NE 1 1 15 11761 1 1 13 ARG NH1 N -6.872 5.751 8.822 1.00 . A B . 13 ARG NH1 1 1 15 11762 1 1 13 ARG NH2 N -5.133 6.282 10.236 1.00 . A B . 13 ARG NH2 1 1 15 11763 1 1 13 ARG O O -3.311 1.671 8.732 1.00 . A B . 13 ARG O 1 1 15 11764 1 1 14 GLU C C -2.094 -0.576 7.266 1.00 . A B . 14 GLU C 1 1 15 11765 1 1 14 GLU CA C -2.454 -0.964 8.673 1.00 . A B . 14 GLU CA 1 1 15 11766 1 1 14 GLU CB C -2.338 -2.487 8.807 1.00 . A B . 14 GLU CB 1 1 15 11767 1 1 14 GLU CD C -1.206 -2.617 11.033 1.00 . A B . 14 GLU CD 1 1 15 11768 1 1 14 GLU CG C -2.395 -3.027 10.214 1.00 . A B . 14 GLU CG 1 1 15 11769 1 1 14 GLU H H -4.519 -1.191 9.086 1.00 . A B . 14 GLU H 1 1 15 11770 1 1 14 GLU HA H -1.759 -0.485 9.349 1.00 . A B . 14 GLU HA 1 1 15 11771 1 1 14 GLU HB2 H -3.144 -2.943 8.249 1.00 . A B . 14 GLU HB2 1 1 15 11772 1 1 14 GLU HB3 H -1.402 -2.795 8.367 1.00 . A B . 14 GLU HB3 1 1 15 11773 1 1 14 GLU HG2 H -3.286 -2.655 10.696 1.00 . A B . 14 GLU HG2 1 1 15 11774 1 1 14 GLU HG3 H -2.430 -4.106 10.173 1.00 . A B . 14 GLU HG3 1 1 15 11775 1 1 14 GLU N N -3.820 -0.509 8.956 1.00 . A B . 14 GLU N 1 1 15 11776 1 1 14 GLU O O -0.953 -0.216 6.969 1.00 . A B . 14 GLU O 1 1 15 11777 1 1 14 GLU OE1 O -0.089 -3.113 10.780 1.00 . A B . 14 GLU OE1 1 1 15 11778 1 1 14 GLU OE2 O -1.365 -1.821 11.970 1.00 . A B . 14 GLU OE2 1 1 15 11779 1 1 15 LEU C C -2.576 1.164 4.890 1.00 . A B . 15 LEU C 1 1 15 11780 1 1 15 LEU CA C -2.923 -0.306 5.026 1.00 . A B . 15 LEU CA 1 1 15 11781 1 1 15 LEU CB C -4.231 -0.581 4.309 1.00 . A B . 15 LEU CB 1 1 15 11782 1 1 15 LEU CD1 C -3.456 -2.258 2.705 1.00 . A B . 15 LEU CD1 1 1 15 11783 1 1 15 LEU CD2 C -5.515 -0.980 2.243 1.00 . A B . 15 LEU CD2 1 1 15 11784 1 1 15 LEU CG C -4.140 -0.924 2.848 1.00 . A B . 15 LEU CG 1 1 15 11785 1 1 15 LEU H H -3.976 -0.868 6.757 1.00 . A B . 15 LEU H 1 1 15 11786 1 1 15 LEU HA H -2.146 -0.925 4.607 1.00 . A B . 15 LEU HA 1 1 15 11787 1 1 15 LEU HB2 H -4.722 -1.400 4.814 1.00 . A B . 15 LEU HB2 1 1 15 11788 1 1 15 LEU HB3 H -4.854 0.296 4.411 1.00 . A B . 15 LEU HB3 1 1 15 11789 1 1 15 LEU HD11 H -3.469 -2.573 1.672 1.00 . A B . 15 LEU HD11 1 1 15 11790 1 1 15 LEU HD12 H -3.984 -2.976 3.326 1.00 . A B . 15 LEU HD12 1 1 15 11791 1 1 15 LEU HD13 H -2.438 -2.189 3.053 1.00 . A B . 15 LEU HD13 1 1 15 11792 1 1 15 LEU HD21 H -6.083 -1.742 2.756 1.00 . A B . 15 LEU HD21 1 1 15 11793 1 1 15 LEU HD22 H -5.433 -1.234 1.197 1.00 . A B . 15 LEU HD22 1 1 15 11794 1 1 15 LEU HD23 H -6.001 -0.022 2.354 1.00 . A B . 15 LEU HD23 1 1 15 11795 1 1 15 LEU HG H -3.559 -0.176 2.327 1.00 . A B . 15 LEU HG 1 1 15 11796 1 1 15 LEU N N -3.091 -0.612 6.414 1.00 . A B . 15 LEU N 1 1 15 11797 1 1 15 LEU O O -1.658 1.524 4.175 1.00 . A B . 15 LEU O 1 1 15 11798 1 1 16 VAL C C -1.633 3.707 6.285 1.00 . A B . 16 VAL C 1 1 15 11799 1 1 16 VAL CA C -3.015 3.432 5.690 1.00 . A B . 16 VAL CA 1 1 15 11800 1 1 16 VAL CB C -4.101 4.183 6.512 1.00 . A B . 16 VAL CB 1 1 15 11801 1 1 16 VAL CG1 C -3.874 5.682 6.484 1.00 . A B . 16 VAL CG1 1 1 15 11802 1 1 16 VAL CG2 C -5.495 3.855 6.002 1.00 . A B . 16 VAL CG2 1 1 15 11803 1 1 16 VAL H H -3.962 1.611 6.247 1.00 . A B . 16 VAL H 1 1 15 11804 1 1 16 VAL HA H -3.010 3.805 4.673 1.00 . A B . 16 VAL HA 1 1 15 11805 1 1 16 VAL HB H -4.030 3.853 7.538 1.00 . A B . 16 VAL HB 1 1 15 11806 1 1 16 VAL HG11 H -3.929 6.040 5.466 1.00 . A B . 16 VAL HG11 1 1 15 11807 1 1 16 VAL HG12 H -2.899 5.905 6.893 1.00 . A B . 16 VAL HG12 1 1 15 11808 1 1 16 VAL HG13 H -4.636 6.161 7.079 1.00 . A B . 16 VAL HG13 1 1 15 11809 1 1 16 VAL HG21 H -5.578 4.146 4.965 1.00 . A B . 16 VAL HG21 1 1 15 11810 1 1 16 VAL HG22 H -6.228 4.391 6.586 1.00 . A B . 16 VAL HG22 1 1 15 11811 1 1 16 VAL HG23 H -5.670 2.793 6.092 1.00 . A B . 16 VAL HG23 1 1 15 11812 1 1 16 VAL N N -3.259 1.990 5.673 1.00 . A B . 16 VAL N 1 1 15 11813 1 1 16 VAL O O -0.912 4.572 5.813 1.00 . A B . 16 VAL O 1 1 15 11814 1 1 17 ARG C C 1.151 2.798 6.918 1.00 . A B . 17 ARG C 1 1 15 11815 1 1 17 ARG CA C 0.045 3.023 7.940 1.00 . A B . 17 ARG CA 1 1 15 11816 1 1 17 ARG CB C 0.178 1.993 9.068 1.00 . A B . 17 ARG CB 1 1 15 11817 1 1 17 ARG CD C -0.440 1.185 11.343 1.00 . A B . 17 ARG CD 1 1 15 11818 1 1 17 ARG CG C -0.715 2.221 10.267 1.00 . A B . 17 ARG CG 1 1 15 11819 1 1 17 ARG CZ C 1.591 0.286 12.497 1.00 . A B . 17 ARG CZ 1 1 15 11820 1 1 17 ARG H H -1.936 2.298 7.654 1.00 . A B . 17 ARG H 1 1 15 11821 1 1 17 ARG HA H 0.151 4.013 8.350 1.00 . A B . 17 ARG HA 1 1 15 11822 1 1 17 ARG HB2 H -0.086 1.029 8.659 1.00 . A B . 17 ARG HB2 1 1 15 11823 1 1 17 ARG HB3 H 1.199 1.933 9.410 1.00 . A B . 17 ARG HB3 1 1 15 11824 1 1 17 ARG HD2 H -1.083 1.382 12.186 1.00 . A B . 17 ARG HD2 1 1 15 11825 1 1 17 ARG HD3 H -0.646 0.198 10.954 1.00 . A B . 17 ARG HD3 1 1 15 11826 1 1 17 ARG HE H 1.426 2.062 11.553 1.00 . A B . 17 ARG HE 1 1 15 11827 1 1 17 ARG HG2 H -0.535 3.210 10.661 1.00 . A B . 17 ARG HG2 1 1 15 11828 1 1 17 ARG HG3 H -1.746 2.139 9.954 1.00 . A B . 17 ARG HG3 1 1 15 11829 1 1 17 ARG HH11 H 0.049 -1.094 12.528 1.00 . A B . 17 ARG HH11 1 1 15 11830 1 1 17 ARG HH12 H 1.475 -1.568 13.341 1.00 . A B . 17 ARG HH12 1 1 15 11831 1 1 17 ARG HH21 H 3.337 1.325 12.610 1.00 . A B . 17 ARG HH21 1 1 15 11832 1 1 17 ARG HH22 H 3.366 -0.186 13.386 1.00 . A B . 17 ARG HH22 1 1 15 11833 1 1 17 ARG N N -1.272 2.934 7.303 1.00 . A B . 17 ARG N 1 1 15 11834 1 1 17 ARG NE N 0.954 1.233 11.795 1.00 . A B . 17 ARG NE 1 1 15 11835 1 1 17 ARG NH1 N 0.997 -0.866 12.805 1.00 . A B . 17 ARG NH1 1 1 15 11836 1 1 17 ARG NH2 N 2.844 0.485 12.852 1.00 . A B . 17 ARG NH2 1 1 15 11837 1 1 17 ARG O O 2.163 3.504 6.905 1.00 . A B . 17 ARG O 1 1 15 11838 1 1 18 ALA C C 1.902 2.568 3.955 1.00 . A B . 18 ALA C 1 1 15 11839 1 1 18 ALA CA C 1.886 1.483 5.013 1.00 . A B . 18 ALA CA 1 1 15 11840 1 1 18 ALA CB C 1.547 0.136 4.397 1.00 . A B . 18 ALA CB 1 1 15 11841 1 1 18 ALA H H 0.092 1.328 6.149 1.00 . A B . 18 ALA H 1 1 15 11842 1 1 18 ALA HA H 2.867 1.424 5.463 1.00 . A B . 18 ALA HA 1 1 15 11843 1 1 18 ALA HB1 H 2.285 -0.115 3.649 1.00 . A B . 18 ALA HB1 1 1 15 11844 1 1 18 ALA HB2 H 0.572 0.186 3.936 1.00 . A B . 18 ALA HB2 1 1 15 11845 1 1 18 ALA HB3 H 1.544 -0.621 5.167 1.00 . A B . 18 ALA HB3 1 1 15 11846 1 1 18 ALA N N 0.936 1.820 6.059 1.00 . A B . 18 ALA N 1 1 15 11847 1 1 18 ALA O O 2.959 2.953 3.470 1.00 . A B . 18 ALA O 1 1 15 11848 1 1 19 GLN C C 1.331 5.381 3.111 1.00 . A B . 19 GLN C 1 1 15 11849 1 1 19 GLN CA C 0.549 4.150 2.668 1.00 . A B . 19 GLN CA 1 1 15 11850 1 1 19 GLN CB C -0.901 4.560 2.604 1.00 . A B . 19 GLN CB 1 1 15 11851 1 1 19 GLN CD C -3.093 4.253 1.572 1.00 . A B . 19 GLN CD 1 1 15 11852 1 1 19 GLN CG C -1.822 3.593 1.952 1.00 . A B . 19 GLN CG 1 1 15 11853 1 1 19 GLN H H -0.083 2.660 4.024 1.00 . A B . 19 GLN H 1 1 15 11854 1 1 19 GLN HA H 0.849 3.789 1.688 1.00 . A B . 19 GLN HA 1 1 15 11855 1 1 19 GLN HB2 H -1.218 4.629 3.635 1.00 . A B . 19 GLN HB2 1 1 15 11856 1 1 19 GLN HB3 H -1.021 5.543 2.185 1.00 . A B . 19 GLN HB3 1 1 15 11857 1 1 19 GLN HE21 H -2.345 4.595 -0.204 1.00 . A B . 19 GLN HE21 1 1 15 11858 1 1 19 GLN HE22 H -3.941 5.194 0.045 1.00 . A B . 19 GLN HE22 1 1 15 11859 1 1 19 GLN HG2 H -1.345 3.213 1.063 1.00 . A B . 19 GLN HG2 1 1 15 11860 1 1 19 GLN HG3 H -2.035 2.783 2.634 1.00 . A B . 19 GLN HG3 1 1 15 11861 1 1 19 GLN N N 0.719 3.059 3.619 1.00 . A B . 19 GLN N 1 1 15 11862 1 1 19 GLN NE2 N -3.140 4.721 0.355 1.00 . A B . 19 GLN NE2 1 1 15 11863 1 1 19 GLN O O 2.149 5.914 2.376 1.00 . A B . 19 GLN O 1 1 15 11864 1 1 19 GLN OE1 O -4.037 4.330 2.358 1.00 . A B . 19 GLN OE1 1 1 15 11865 1 1 20 ILE C C 3.215 6.822 4.954 1.00 . A B . 20 ILE C 1 1 15 11866 1 1 20 ILE CA C 1.696 6.992 4.928 1.00 . A B . 20 ILE CA 1 1 15 11867 1 1 20 ILE CB C 1.136 7.298 6.357 1.00 . A B . 20 ILE CB 1 1 15 11868 1 1 20 ILE CD1 C -1.024 7.924 7.592 1.00 . A B . 20 ILE CD1 1 1 15 11869 1 1 20 ILE CG1 C -0.352 7.672 6.259 1.00 . A B . 20 ILE CG1 1 1 15 11870 1 1 20 ILE CG2 C 1.925 8.423 7.042 1.00 . A B . 20 ILE CG2 1 1 15 11871 1 1 20 ILE H H 0.336 5.357 4.821 1.00 . A B . 20 ILE H 1 1 15 11872 1 1 20 ILE HA H 1.473 7.831 4.287 1.00 . A B . 20 ILE HA 1 1 15 11873 1 1 20 ILE HB H 1.227 6.405 6.957 1.00 . A B . 20 ILE HB 1 1 15 11874 1 1 20 ILE HD11 H -0.510 8.721 8.108 1.00 . A B . 20 ILE HD11 1 1 15 11875 1 1 20 ILE HD12 H -0.978 7.023 8.185 1.00 . A B . 20 ILE HD12 1 1 15 11876 1 1 20 ILE HD13 H -2.055 8.201 7.432 1.00 . A B . 20 ILE HD13 1 1 15 11877 1 1 20 ILE HG12 H -0.450 8.574 5.673 1.00 . A B . 20 ILE HG12 1 1 15 11878 1 1 20 ILE HG13 H -0.882 6.873 5.763 1.00 . A B . 20 ILE HG13 1 1 15 11879 1 1 20 ILE HG21 H 1.514 8.606 8.024 1.00 . A B . 20 ILE HG21 1 1 15 11880 1 1 20 ILE HG22 H 1.855 9.325 6.451 1.00 . A B . 20 ILE HG22 1 1 15 11881 1 1 20 ILE HG23 H 2.961 8.134 7.133 1.00 . A B . 20 ILE HG23 1 1 15 11882 1 1 20 ILE N N 1.043 5.829 4.325 1.00 . A B . 20 ILE N 1 1 15 11883 1 1 20 ILE O O 3.955 7.777 4.733 1.00 . A B . 20 ILE O 1 1 15 11884 1 1 21 ALA C C 5.680 5.556 3.732 1.00 . A B . 21 ALA C 1 1 15 11885 1 1 21 ALA CA C 5.097 5.308 5.136 1.00 . A B . 21 ALA CA 1 1 15 11886 1 1 21 ALA CB C 5.355 3.887 5.594 1.00 . A B . 21 ALA CB 1 1 15 11887 1 1 21 ALA H H 3.033 4.873 5.324 1.00 . A B . 21 ALA H 1 1 15 11888 1 1 21 ALA HA H 5.571 5.991 5.827 1.00 . A B . 21 ALA HA 1 1 15 11889 1 1 21 ALA HB1 H 6.419 3.699 5.616 1.00 . A B . 21 ALA HB1 1 1 15 11890 1 1 21 ALA HB2 H 4.879 3.201 4.909 1.00 . A B . 21 ALA HB2 1 1 15 11891 1 1 21 ALA HB3 H 4.944 3.745 6.582 1.00 . A B . 21 ALA HB3 1 1 15 11892 1 1 21 ALA N N 3.672 5.598 5.153 1.00 . A B . 21 ALA N 1 1 15 11893 1 1 21 ALA O O 6.822 6.007 3.586 1.00 . A B . 21 ALA O 1 1 15 11894 1 1 22 ILE C C 5.182 7.052 1.051 1.00 . A B . 22 ILE C 1 1 15 11895 1 1 22 ILE CA C 5.264 5.549 1.332 1.00 . A B . 22 ILE CA 1 1 15 11896 1 1 22 ILE CB C 4.341 4.814 0.324 1.00 . A B . 22 ILE CB 1 1 15 11897 1 1 22 ILE CD1 C 3.261 2.568 -0.193 1.00 . A B . 22 ILE CD1 1 1 15 11898 1 1 22 ILE CG1 C 4.243 3.328 0.664 1.00 . A B . 22 ILE CG1 1 1 15 11899 1 1 22 ILE CG2 C 4.875 4.991 -1.099 1.00 . A B . 22 ILE CG2 1 1 15 11900 1 1 22 ILE H H 3.982 4.931 2.898 1.00 . A B . 22 ILE H 1 1 15 11901 1 1 22 ILE HA H 6.282 5.215 1.199 1.00 . A B . 22 ILE HA 1 1 15 11902 1 1 22 ILE HB H 3.357 5.257 0.376 1.00 . A B . 22 ILE HB 1 1 15 11903 1 1 22 ILE HD11 H 3.565 2.617 -1.227 1.00 . A B . 22 ILE HD11 1 1 15 11904 1 1 22 ILE HD12 H 2.287 3.019 -0.082 1.00 . A B . 22 ILE HD12 1 1 15 11905 1 1 22 ILE HD13 H 3.221 1.537 0.127 1.00 . A B . 22 ILE HD13 1 1 15 11906 1 1 22 ILE HG12 H 5.214 2.874 0.532 1.00 . A B . 22 ILE HG12 1 1 15 11907 1 1 22 ILE HG13 H 3.941 3.221 1.696 1.00 . A B . 22 ILE HG13 1 1 15 11908 1 1 22 ILE HG21 H 4.898 6.041 -1.348 1.00 . A B . 22 ILE HG21 1 1 15 11909 1 1 22 ILE HG22 H 4.232 4.469 -1.792 1.00 . A B . 22 ILE HG22 1 1 15 11910 1 1 22 ILE HG23 H 5.873 4.584 -1.160 1.00 . A B . 22 ILE HG23 1 1 15 11911 1 1 22 ILE N N 4.872 5.303 2.714 1.00 . A B . 22 ILE N 1 1 15 11912 1 1 22 ILE O O 6.033 7.618 0.368 1.00 . A B . 22 ILE O 1 1 15 11913 1 1 23 CYS C C 5.040 9.946 2.207 1.00 . A B . 23 CYS C 1 1 15 11914 1 1 23 CYS CA C 3.997 9.143 1.456 1.00 . A B . 23 CYS CA 1 1 15 11915 1 1 23 CYS CB C 2.593 9.570 1.901 1.00 . A B . 23 CYS CB 1 1 15 11916 1 1 23 CYS H H 3.565 7.194 2.206 1.00 . A B . 23 CYS H 1 1 15 11917 1 1 23 CYS HA H 4.101 9.347 0.401 1.00 . A B . 23 CYS HA 1 1 15 11918 1 1 23 CYS HB2 H 2.327 8.987 2.770 1.00 . A B . 23 CYS HB2 1 1 15 11919 1 1 23 CYS HB3 H 2.643 10.609 2.179 1.00 . A B . 23 CYS HB3 1 1 15 11920 1 1 23 CYS N N 4.197 7.707 1.649 1.00 . A B . 23 CYS N 1 1 15 11921 1 1 23 CYS O O 5.369 11.079 1.826 1.00 . A B . 23 CYS O 1 1 15 11922 1 1 23 CYS SG S 1.279 9.332 0.645 1.00 . A B . 23 CYS SG 1 1 15 11923 1 1 24 GLY C C 7.982 9.802 3.204 1.00 . A B . 24 GLY C 1 1 15 11924 1 1 24 GLY CA C 6.673 9.943 3.948 1.00 . A B . 24 GLY CA 1 1 15 11925 1 1 24 GLY H H 5.186 8.502 3.515 1.00 . A B . 24 GLY H 1 1 15 11926 1 1 24 GLY HA2 H 6.460 10.991 4.097 1.00 . A B . 24 GLY HA2 1 1 15 11927 1 1 24 GLY HA3 H 6.764 9.457 4.908 1.00 . A B . 24 GLY HA3 1 1 15 11928 1 1 24 GLY N N 5.591 9.348 3.219 1.00 . A B . 24 GLY N 1 1 15 11929 1 1 24 GLY O O 8.915 10.561 3.430 1.00 . A B . 24 GLY O 1 1 15 11930 1 1 25 MET C C 9.020 8.795 0.031 1.00 . A B . 25 MET C 1 1 15 11931 1 1 25 MET CA C 9.253 8.584 1.517 1.00 . A B . 25 MET CA 1 1 15 11932 1 1 25 MET CB C 9.751 7.156 1.780 1.00 . A B . 25 MET CB 1 1 15 11933 1 1 25 MET CE C 11.645 7.474 5.479 1.00 . A B . 25 MET CE 1 1 15 11934 1 1 25 MET CG C 10.158 6.898 3.217 1.00 . A B . 25 MET CG 1 1 15 11935 1 1 25 MET H H 7.237 8.315 2.101 1.00 . A B . 25 MET H 1 1 15 11936 1 1 25 MET HA H 10.005 9.284 1.843 1.00 . A B . 25 MET HA 1 1 15 11937 1 1 25 MET HB2 H 8.954 6.472 1.534 1.00 . A B . 25 MET HB2 1 1 15 11938 1 1 25 MET HB3 H 10.599 6.957 1.142 1.00 . A B . 25 MET HB3 1 1 15 11939 1 1 25 MET HE1 H 12.418 8.056 5.958 1.00 . A B . 25 MET HE1 1 1 15 11940 1 1 25 MET HE2 H 11.912 6.428 5.509 1.00 . A B . 25 MET HE2 1 1 15 11941 1 1 25 MET HE3 H 10.708 7.623 5.995 1.00 . A B . 25 MET HE3 1 1 15 11942 1 1 25 MET HG2 H 9.296 7.059 3.846 1.00 . A B . 25 MET HG2 1 1 15 11943 1 1 25 MET HG3 H 10.490 5.875 3.312 1.00 . A B . 25 MET HG3 1 1 15 11944 1 1 25 MET N N 8.038 8.856 2.281 1.00 . A B . 25 MET N 1 1 15 11945 1 1 25 MET O O 9.699 8.212 -0.812 1.00 . A B . 25 MET O 1 1 15 11946 1 1 25 MET SD S 11.479 7.994 3.773 1.00 . A B . 25 MET SD 1 1 15 11947 1 1 26 SER C C 8.807 10.923 -2.364 1.00 . A B . 26 SER C 1 1 15 11948 1 1 26 SER CA C 7.778 9.995 -1.684 1.00 . A B . 26 SER CA 1 1 15 11949 1 1 26 SER CB C 6.389 10.616 -1.737 1.00 . A B . 26 SER CB 1 1 15 11950 1 1 26 SER H H 7.720 10.216 0.439 1.00 . A B . 26 SER H 1 1 15 11951 1 1 26 SER HA H 7.756 9.056 -2.217 1.00 . A B . 26 SER HA 1 1 15 11952 1 1 26 SER HB2 H 6.381 11.521 -1.147 1.00 . A B . 26 SER HB2 1 1 15 11953 1 1 26 SER HB3 H 6.146 10.849 -2.763 1.00 . A B . 26 SER HB3 1 1 15 11954 1 1 26 SER HG H 5.871 8.971 -0.805 1.00 . A B . 26 SER HG 1 1 15 11955 1 1 26 SER N N 8.134 9.706 -0.291 1.00 . A B . 26 SER N 1 1 15 11956 1 1 26 SER O O 8.460 11.746 -3.213 1.00 . A B . 26 SER O 1 1 15 11957 1 1 26 SER OG O 5.418 9.719 -1.223 1.00 . A B . 26 SER OG 1 1 15 11958 1 1 27 THR C C 11.492 10.979 -3.988 1.00 . A B . 27 THR C 1 1 15 11959 1 1 27 THR CA C 11.129 11.528 -2.604 1.00 . A B . 27 THR CA 1 1 15 11960 1 1 27 THR CB C 12.331 11.494 -1.665 1.00 . A B . 27 THR CB 1 1 15 11961 1 1 27 THR CG2 C 13.317 12.595 -1.995 1.00 . A B . 27 THR CG2 1 1 15 11962 1 1 27 THR H H 10.280 10.037 -1.384 1.00 . A B . 27 THR H 1 1 15 11963 1 1 27 THR HA H 10.773 12.534 -2.716 1.00 . A B . 27 THR HA 1 1 15 11964 1 1 27 THR HB H 12.810 10.533 -1.754 1.00 . A B . 27 THR HB 1 1 15 11965 1 1 27 THR HG1 H 11.274 12.436 -0.315 1.00 . A B . 27 THR HG1 1 1 15 11966 1 1 27 THR HG21 H 12.817 13.551 -1.931 1.00 . A B . 27 THR HG21 1 1 15 11967 1 1 27 THR HG22 H 13.692 12.454 -2.997 1.00 . A B . 27 THR HG22 1 1 15 11968 1 1 27 THR HG23 H 14.134 12.570 -1.289 1.00 . A B . 27 THR HG23 1 1 15 11969 1 1 27 THR N N 10.062 10.736 -2.039 1.00 . A B . 27 THR N 1 1 15 11970 1 1 27 THR O O 12.091 11.645 -4.831 1.00 . A B . 27 THR O 1 1 15 11971 1 1 27 THR OG1 O 11.864 11.670 -0.314 1.00 . A B . 27 THR OG1 1 1 15 11972 1 1 28 TRP C C 10.008 8.284 -5.724 1.00 . A B . 28 TRP C 1 1 15 11973 1 1 28 TRP CA C 11.259 9.084 -5.436 1.00 . A B . 28 TRP CA 1 1 15 11974 1 1 28 TRP CB C 12.521 8.172 -5.418 1.00 . A B . 28 TRP CB 1 1 15 11975 1 1 28 TRP CD1 C 12.079 5.798 -4.533 1.00 . A B . 28 TRP CD1 1 1 15 11976 1 1 28 TRP CD2 C 12.978 7.180 -3.025 1.00 . A B . 28 TRP CD2 1 1 15 11977 1 1 28 TRP CE2 C 12.773 5.930 -2.422 1.00 . A B . 28 TRP CE2 1 1 15 11978 1 1 28 TRP CE3 C 13.535 8.202 -2.271 1.00 . A B . 28 TRP CE3 1 1 15 11979 1 1 28 TRP CG C 12.515 7.081 -4.377 1.00 . A B . 28 TRP CG 1 1 15 11980 1 1 28 TRP CH2 C 13.648 6.698 -0.382 1.00 . A B . 28 TRP CH2 1 1 15 11981 1 1 28 TRP CZ2 C 13.106 5.677 -1.098 1.00 . A B . 28 TRP CZ2 1 1 15 11982 1 1 28 TRP CZ3 C 13.867 7.953 -0.957 1.00 . A B . 28 TRP CZ3 1 1 15 11983 1 1 28 TRP H H 10.590 9.384 -3.449 1.00 . A B . 28 TRP H 1 1 15 11984 1 1 28 TRP HA H 11.368 9.830 -6.207 1.00 . A B . 28 TRP HA 1 1 15 11985 1 1 28 TRP HB2 H 12.615 7.693 -6.381 1.00 . A B . 28 TRP HB2 1 1 15 11986 1 1 28 TRP HB3 H 13.392 8.789 -5.252 1.00 . A B . 28 TRP HB3 1 1 15 11987 1 1 28 TRP HD1 H 11.667 5.392 -5.446 1.00 . A B . 28 TRP HD1 1 1 15 11988 1 1 28 TRP HE1 H 11.986 4.167 -3.206 1.00 . A B . 28 TRP HE1 1 1 15 11989 1 1 28 TRP HE3 H 13.713 9.170 -2.713 1.00 . A B . 28 TRP HE3 1 1 15 11990 1 1 28 TRP HH2 H 13.922 6.544 0.650 1.00 . A B . 28 TRP HH2 1 1 15 11991 1 1 28 TRP HZ2 H 12.942 4.713 -0.641 1.00 . A B . 28 TRP HZ2 1 1 15 11992 1 1 28 TRP HZ3 H 14.300 8.738 -0.357 1.00 . A B . 28 TRP HZ3 1 1 15 11993 1 1 28 TRP N N 11.079 9.786 -4.195 1.00 . A B . 28 TRP N 1 1 15 11994 1 1 28 TRP NE1 N 12.231 5.108 -3.360 1.00 . A B . 28 TRP NE1 1 1 15 11995 1 1 28 TRP O O 9.335 7.822 -4.793 1.00 . A B . 28 TRP O 1 1 15 11996 1 1 29 SER C C 8.949 6.010 -7.805 1.00 . A B . 29 SER C 1 1 15 11997 1 1 29 SER CA C 8.534 7.417 -7.378 1.00 . A B . 29 SER CA 1 1 15 11998 1 1 29 SER CB C 7.817 8.176 -8.490 1.00 . A B . 29 SER CB 1 1 15 11999 1 1 29 SER H H 10.193 8.613 -7.673 1.00 . A B . 29 SER H 1 1 15 12000 1 1 29 SER HA H 7.870 7.339 -6.531 1.00 . A B . 29 SER HA 1 1 15 12001 1 1 29 SER HB2 H 7.155 7.505 -9.016 1.00 . A B . 29 SER HB2 1 1 15 12002 1 1 29 SER HB3 H 7.248 8.988 -8.064 1.00 . A B . 29 SER HB3 1 1 15 12003 1 1 29 SER HG H 9.074 7.969 -9.951 1.00 . A B . 29 SER HG 1 1 15 12004 1 1 29 SER N N 9.673 8.171 -6.967 1.00 . A B . 29 SER N 1 1 15 12005 1 1 29 SER O O 9.340 5.781 -8.949 1.00 . A B . 29 SER O 1 1 15 12006 1 1 29 SER OG O 8.760 8.711 -9.417 1.00 . A B . 29 SER OG 1 1 15 12007 1 1 30 NH2 HN1 H 8.590 5.349 -5.991 1.00 . A B . 30 NH2 HN1 1 1 15 12008 1 1 30 NH2 HN2 H 9.211 4.179 -7.105 1.00 . A B . 30 NH2 HN2 1 1 15 12009 1 1 30 NH2 N N 8.916 5.084 -6.877 1.00 . A B . 30 NH2 N 1 1 15 12010 2 2 1 PCA C C -12.914 3.375 -4.912 1.00 . B A . 1 PCA C 1 1 15 12011 2 2 1 PCA CA C -14.281 4.053 -4.766 1.00 . B A . 1 PCA CA 1 1 15 12012 2 2 1 PCA CB C -14.493 4.515 -3.330 1.00 . B A . 1 PCA CB 1 1 15 12013 2 2 1 PCA CD C -15.972 2.741 -3.924 1.00 . B A . 1 PCA CD 1 1 15 12014 2 2 1 PCA CG C -15.712 3.756 -2.822 1.00 . B A . 1 PCA CG 1 1 15 12015 2 2 1 PCA HA H -14.322 4.890 -5.449 1.00 . B A . 1 PCA HA 1 1 15 12016 2 2 1 PCA HB2 H -13.618 4.269 -2.728 1.00 . B A . 1 PCA HB2 1 1 15 12017 2 2 1 PCA HB3 H -14.677 5.588 -3.301 1.00 . B A . 1 PCA HB3 1 1 15 12018 2 2 1 PCA HG2 H -15.490 3.266 -1.873 1.00 . B A . 1 PCA HG2 1 1 15 12019 2 2 1 PCA HG3 H -16.576 4.412 -2.732 1.00 . B A . 1 PCA HG3 1 1 15 12020 2 2 1 PCA N N -15.373 3.104 -5.055 1.00 . B A . 1 PCA N 1 1 15 12021 2 2 1 PCA O O -12.718 2.252 -4.429 1.00 . B A . 1 PCA O 1 1 15 12022 2 2 1 PCA OE O -16.634 1.713 -3.764 1.00 . B A . 1 PCA OE 1 1 15 12023 2 2 2 LEU C C -9.876 3.170 -4.602 1.00 . B A . 2 LEU C 1 1 15 12024 2 2 2 LEU CA C -10.640 3.486 -5.828 1.00 . B A . 2 LEU CA 1 1 15 12025 2 2 2 LEU CB C -9.820 4.345 -6.792 1.00 . B A . 2 LEU CB 1 1 15 12026 2 2 2 LEU CD1 C -9.448 5.388 -9.035 1.00 . B A . 2 LEU CD1 1 1 15 12027 2 2 2 LEU CD2 C -10.699 3.232 -8.861 1.00 . B A . 2 LEU CD2 1 1 15 12028 2 2 2 LEU CG C -10.402 4.562 -8.189 1.00 . B A . 2 LEU CG 1 1 15 12029 2 2 2 LEU H H -12.156 4.979 -5.832 1.00 . B A . 2 LEU H 1 1 15 12030 2 2 2 LEU HA H -10.717 2.494 -6.229 1.00 . B A . 2 LEU HA 1 1 15 12031 2 2 2 LEU HB2 H -9.679 5.314 -6.338 1.00 . B A . 2 LEU HB2 1 1 15 12032 2 2 2 LEU HB3 H -8.854 3.879 -6.906 1.00 . B A . 2 LEU HB3 1 1 15 12033 2 2 2 LEU HD11 H -9.874 5.544 -10.015 1.00 . B A . 2 LEU HD11 1 1 15 12034 2 2 2 LEU HD12 H -8.510 4.863 -9.131 1.00 . B A . 2 LEU HD12 1 1 15 12035 2 2 2 LEU HD13 H -9.277 6.341 -8.559 1.00 . B A . 2 LEU HD13 1 1 15 12036 2 2 2 LEU HD21 H -11.078 3.404 -9.857 1.00 . B A . 2 LEU HD21 1 1 15 12037 2 2 2 LEU HD22 H -11.436 2.697 -8.282 1.00 . B A . 2 LEU HD22 1 1 15 12038 2 2 2 LEU HD23 H -9.793 2.647 -8.917 1.00 . B A . 2 LEU HD23 1 1 15 12039 2 2 2 LEU HG H -11.325 5.115 -8.104 1.00 . B A . 2 LEU HG 1 1 15 12040 2 2 2 LEU N N -11.967 4.059 -5.543 1.00 . B A . 2 LEU N 1 1 15 12041 2 2 2 LEU O O -9.176 2.156 -4.557 1.00 . B A . 2 LEU O 1 1 15 12042 2 2 3 TYR C C -9.948 2.467 -1.699 1.00 . B A . 3 TYR C 1 1 15 12043 2 2 3 TYR CA C -9.317 3.666 -2.408 1.00 . B A . 3 TYR CA 1 1 15 12044 2 2 3 TYR CB C -9.173 4.852 -1.471 1.00 . B A . 3 TYR CB 1 1 15 12045 2 2 3 TYR CD1 C -7.132 3.946 -0.463 1.00 . B A . 3 TYR CD1 1 1 15 12046 2 2 3 TYR CD2 C -8.973 4.368 0.959 1.00 . B A . 3 TYR CD2 1 1 15 12047 2 2 3 TYR CE1 C -6.433 3.443 0.561 1.00 . B A . 3 TYR CE1 1 1 15 12048 2 2 3 TYR CE2 C -8.266 3.877 2.017 1.00 . B A . 3 TYR CE2 1 1 15 12049 2 2 3 TYR CG C -8.408 4.414 -0.294 1.00 . B A . 3 TYR CG 1 1 15 12050 2 2 3 TYR CZ C -6.995 3.406 1.818 1.00 . B A . 3 TYR CZ 1 1 15 12051 2 2 3 TYR H H -10.594 4.755 -3.659 1.00 . B A . 3 TYR H 1 1 15 12052 2 2 3 TYR HA H -8.333 3.354 -2.726 1.00 . B A . 3 TYR HA 1 1 15 12053 2 2 3 TYR HB2 H -8.640 5.650 -1.966 1.00 . B A . 3 TYR HB2 1 1 15 12054 2 2 3 TYR HB3 H -10.143 5.191 -1.142 1.00 . B A . 3 TYR HB3 1 1 15 12055 2 2 3 TYR HD1 H -6.687 3.982 -1.447 1.00 . B A . 3 TYR HD1 1 1 15 12056 2 2 3 TYR HD2 H -9.977 4.741 1.104 1.00 . B A . 3 TYR HD2 1 1 15 12057 2 2 3 TYR HE1 H -5.445 3.086 0.330 1.00 . B A . 3 TYR HE1 1 1 15 12058 2 2 3 TYR HE2 H -8.727 3.853 2.990 1.00 . B A . 3 TYR HE2 1 1 15 12059 2 2 3 TYR HH H -5.396 3.276 2.813 1.00 . B A . 3 TYR HH 1 1 15 12060 2 2 3 TYR N N -10.017 3.964 -3.594 1.00 . B A . 3 TYR N 1 1 15 12061 2 2 3 TYR O O -9.243 1.594 -1.182 1.00 . B A . 3 TYR O 1 1 15 12062 2 2 3 TYR OH O -6.281 2.889 2.877 1.00 . B A . 3 TYR OH 1 1 15 12063 2 2 4 SER C C -11.602 0.010 -1.820 1.00 . B A . 4 SER C 1 1 15 12064 2 2 4 SER CA C -11.970 1.318 -1.107 1.00 . B A . 4 SER CA 1 1 15 12065 2 2 4 SER CB C -13.483 1.590 -1.156 1.00 . B A . 4 SER CB 1 1 15 12066 2 2 4 SER H H -11.755 3.106 -2.195 1.00 . B A . 4 SER H 1 1 15 12067 2 2 4 SER HA H -11.643 1.264 -0.080 1.00 . B A . 4 SER HA 1 1 15 12068 2 2 4 SER HB2 H -13.675 2.579 -0.770 1.00 . B A . 4 SER HB2 1 1 15 12069 2 2 4 SER HB3 H -13.816 1.540 -2.182 1.00 . B A . 4 SER HB3 1 1 15 12070 2 2 4 SER HG H -13.656 0.337 0.320 1.00 . B A . 4 SER HG 1 1 15 12071 2 2 4 SER N N -11.256 2.404 -1.730 1.00 . B A . 4 SER N 1 1 15 12072 2 2 4 SER O O -11.364 -1.014 -1.178 1.00 . B A . 4 SER O 1 1 15 12073 2 2 4 SER OG O -14.225 0.662 -0.388 1.00 . B A . 4 SER OG 1 1 15 12074 2 2 5 ALA C C -9.709 -1.535 -3.586 1.00 . B A . 5 ALA C 1 1 15 12075 2 2 5 ALA CA C -11.093 -1.031 -3.971 1.00 . B A . 5 ALA CA 1 1 15 12076 2 2 5 ALA CB C -11.134 -0.636 -5.437 1.00 . B A . 5 ALA CB 1 1 15 12077 2 2 5 ALA H H -11.694 0.944 -3.580 1.00 . B A . 5 ALA H 1 1 15 12078 2 2 5 ALA HA H -11.804 -1.829 -3.808 1.00 . B A . 5 ALA HA 1 1 15 12079 2 2 5 ALA HB1 H -12.123 -0.282 -5.688 1.00 . B A . 5 ALA HB1 1 1 15 12080 2 2 5 ALA HB2 H -10.888 -1.487 -6.054 1.00 . B A . 5 ALA HB2 1 1 15 12081 2 2 5 ALA HB3 H -10.417 0.152 -5.614 1.00 . B A . 5 ALA HB3 1 1 15 12082 2 2 5 ALA N N -11.484 0.091 -3.140 1.00 . B A . 5 ALA N 1 1 15 12083 2 2 5 ALA O O -9.488 -2.752 -3.504 1.00 . B A . 5 ALA O 1 1 15 12084 2 2 6 LEU C C -7.497 -1.679 -1.567 1.00 . B A . 6 LEU C 1 1 15 12085 2 2 6 LEU CA C -7.432 -0.935 -2.897 1.00 . B A . 6 LEU CA 1 1 15 12086 2 2 6 LEU CB C -6.565 0.340 -2.742 1.00 . B A . 6 LEU CB 1 1 15 12087 2 2 6 LEU CD1 C -4.353 -0.626 -3.438 1.00 . B A . 6 LEU CD1 1 1 15 12088 2 2 6 LEU CD2 C -4.385 1.425 -2.020 1.00 . B A . 6 LEU CD2 1 1 15 12089 2 2 6 LEU CG C -5.091 0.112 -2.345 1.00 . B A . 6 LEU CG 1 1 15 12090 2 2 6 LEU H H -9.024 0.345 -3.464 1.00 . B A . 6 LEU H 1 1 15 12091 2 2 6 LEU HA H -6.992 -1.580 -3.643 1.00 . B A . 6 LEU HA 1 1 15 12092 2 2 6 LEU HB2 H -6.584 0.875 -3.680 1.00 . B A . 6 LEU HB2 1 1 15 12093 2 2 6 LEU HB3 H -7.022 0.964 -1.988 1.00 . B A . 6 LEU HB3 1 1 15 12094 2 2 6 LEU HD11 H -3.322 -0.760 -3.145 1.00 . B A . 6 LEU HD11 1 1 15 12095 2 2 6 LEU HD12 H -4.398 -0.059 -4.355 1.00 . B A . 6 LEU HD12 1 1 15 12096 2 2 6 LEU HD13 H -4.808 -1.595 -3.588 1.00 . B A . 6 LEU HD13 1 1 15 12097 2 2 6 LEU HD21 H -3.357 1.233 -1.742 1.00 . B A . 6 LEU HD21 1 1 15 12098 2 2 6 LEU HD22 H -4.891 1.908 -1.198 1.00 . B A . 6 LEU HD22 1 1 15 12099 2 2 6 LEU HD23 H -4.403 2.071 -2.885 1.00 . B A . 6 LEU HD23 1 1 15 12100 2 2 6 LEU HG H -5.068 -0.513 -1.464 1.00 . B A . 6 LEU HG 1 1 15 12101 2 2 6 LEU N N -8.787 -0.600 -3.334 1.00 . B A . 6 LEU N 1 1 15 12102 2 2 6 LEU O O -6.877 -2.732 -1.401 1.00 . B A . 6 LEU O 1 1 15 12103 2 2 7 ALA C C -8.968 -3.165 0.588 1.00 . B A . 7 ALA C 1 1 15 12104 2 2 7 ALA CA C -8.486 -1.727 0.669 1.00 . B A . 7 ALA CA 1 1 15 12105 2 2 7 ALA CB C -9.439 -0.888 1.497 1.00 . B A . 7 ALA CB 1 1 15 12106 2 2 7 ALA H H -8.789 -0.326 -0.886 1.00 . B A . 7 ALA H 1 1 15 12107 2 2 7 ALA HA H -7.523 -1.724 1.157 1.00 . B A . 7 ALA HA 1 1 15 12108 2 2 7 ALA HB1 H -10.418 -0.906 1.041 1.00 . B A . 7 ALA HB1 1 1 15 12109 2 2 7 ALA HB2 H -9.078 0.128 1.534 1.00 . B A . 7 ALA HB2 1 1 15 12110 2 2 7 ALA HB3 H -9.500 -1.287 2.499 1.00 . B A . 7 ALA HB3 1 1 15 12111 2 2 7 ALA N N -8.305 -1.149 -0.653 1.00 . B A . 7 ALA N 1 1 15 12112 2 2 7 ALA O O -8.445 -4.044 1.289 1.00 . B A . 7 ALA O 1 1 15 12113 2 2 8 ASN C C -9.379 -5.631 -1.078 1.00 . B A . 8 ASN C 1 1 15 12114 2 2 8 ASN CA C -10.457 -4.764 -0.480 1.00 . B A . 8 ASN CA 1 1 15 12115 2 2 8 ASN CB C -11.680 -4.815 -1.424 1.00 . B A . 8 ASN CB 1 1 15 12116 2 2 8 ASN CG C -12.940 -4.188 -0.874 1.00 . B A . 8 ASN CG 1 1 15 12117 2 2 8 ASN H H -10.343 -2.649 -0.756 1.00 . B A . 8 ASN H 1 1 15 12118 2 2 8 ASN HA H -10.739 -5.168 0.481 1.00 . B A . 8 ASN HA 1 1 15 12119 2 2 8 ASN HB2 H -11.433 -4.301 -2.340 1.00 . B A . 8 ASN HB2 1 1 15 12120 2 2 8 ASN HB3 H -11.886 -5.849 -1.656 1.00 . B A . 8 ASN HB3 1 1 15 12121 2 2 8 ASN HD21 H -13.525 -5.907 -0.073 1.00 . B A . 8 ASN HD21 1 1 15 12122 2 2 8 ASN HD22 H -14.560 -4.540 0.149 1.00 . B A . 8 ASN HD22 1 1 15 12123 2 2 8 ASN N N -9.952 -3.409 -0.269 1.00 . B A . 8 ASN N 1 1 15 12124 2 2 8 ASN ND2 N -13.747 -4.961 -0.202 1.00 . B A . 8 ASN ND2 1 1 15 12125 2 2 8 ASN O O -9.090 -6.703 -0.579 1.00 . B A . 8 ASN O 1 1 15 12126 2 2 8 ASN OD1 O -13.197 -3.013 -1.073 1.00 . B A . 8 ASN OD1 1 1 15 12127 2 2 9 LYS C C -6.607 -6.330 -2.038 1.00 . B A . 9 LYS C 1 1 15 12128 2 2 9 LYS CA C -7.780 -5.868 -2.894 1.00 . B A . 9 LYS CA 1 1 15 12129 2 2 9 LYS CB C -7.304 -5.013 -4.067 1.00 . B A . 9 LYS CB 1 1 15 12130 2 2 9 LYS CD C -7.405 -6.755 -5.868 1.00 . B A . 9 LYS CD 1 1 15 12131 2 2 9 LYS CE C -6.690 -7.352 -7.069 1.00 . B A . 9 LYS CE 1 1 15 12132 2 2 9 LYS CG C -6.535 -5.743 -5.149 1.00 . B A . 9 LYS CG 1 1 15 12133 2 2 9 LYS H H -8.952 -4.196 -2.373 1.00 . B A . 9 LYS H 1 1 15 12134 2 2 9 LYS HA H -8.258 -6.757 -3.270 1.00 . B A . 9 LYS HA 1 1 15 12135 2 2 9 LYS HB2 H -8.162 -4.543 -4.524 1.00 . B A . 9 LYS HB2 1 1 15 12136 2 2 9 LYS HB3 H -6.668 -4.234 -3.671 1.00 . B A . 9 LYS HB3 1 1 15 12137 2 2 9 LYS HD2 H -7.648 -7.553 -5.183 1.00 . B A . 9 LYS HD2 1 1 15 12138 2 2 9 LYS HD3 H -8.312 -6.272 -6.200 1.00 . B A . 9 LYS HD3 1 1 15 12139 2 2 9 LYS HE2 H -5.771 -7.807 -6.731 1.00 . B A . 9 LYS HE2 1 1 15 12140 2 2 9 LYS HE3 H -7.325 -8.106 -7.511 1.00 . B A . 9 LYS HE3 1 1 15 12141 2 2 9 LYS HG2 H -6.182 -5.025 -5.874 1.00 . B A . 9 LYS HG2 1 1 15 12142 2 2 9 LYS HG3 H -5.698 -6.253 -4.698 1.00 . B A . 9 LYS HG3 1 1 15 12143 2 2 9 LYS HZ1 H -5.931 -6.783 -8.922 1.00 . B A . 9 LYS HZ1 1 1 15 12144 2 2 9 LYS HZ2 H -5.711 -5.611 -7.736 1.00 . B A . 9 LYS HZ2 1 1 15 12145 2 2 9 LYS HZ3 H -7.228 -5.848 -8.415 1.00 . B A . 9 LYS HZ3 1 1 15 12146 2 2 9 LYS N N -8.755 -5.126 -2.114 1.00 . B A . 9 LYS N 1 1 15 12147 2 2 9 LYS NZ N -6.368 -6.335 -8.091 1.00 . B A . 9 LYS NZ 1 1 15 12148 2 2 9 LYS O O -6.297 -7.524 -2.006 1.00 . B A . 9 LYS O 1 1 15 12149 2 2 10 CYS C C -5.270 -6.662 0.661 1.00 . B A . 10 CYS C 1 1 15 12150 2 2 10 CYS CA C -4.852 -5.743 -0.474 1.00 . B A . 10 CYS CA 1 1 15 12151 2 2 10 CYS CB C -4.248 -4.481 0.122 1.00 . B A . 10 CYS CB 1 1 15 12152 2 2 10 CYS H H -6.292 -4.476 -1.369 1.00 . B A . 10 CYS H 1 1 15 12153 2 2 10 CYS HA H -4.101 -6.255 -1.062 1.00 . B A . 10 CYS HA 1 1 15 12154 2 2 10 CYS HB2 H -4.955 -4.056 0.819 1.00 . B A . 10 CYS HB2 1 1 15 12155 2 2 10 CYS HB3 H -3.346 -4.744 0.655 1.00 . B A . 10 CYS HB3 1 1 15 12156 2 2 10 CYS N N -5.994 -5.416 -1.325 1.00 . B A . 10 CYS N 1 1 15 12157 2 2 10 CYS O O -4.487 -7.495 1.112 1.00 . B A . 10 CYS O 1 1 15 12158 2 2 10 CYS SG S -3.831 -3.190 -1.078 1.00 . B A . 10 CYS SG 1 1 15 12159 2 2 11 CYS C C -7.330 -8.730 1.770 1.00 . B A . 11 CYS C 1 1 15 12160 2 2 11 CYS CA C -6.955 -7.311 2.206 1.00 . B A . 11 CYS CA 1 1 15 12161 2 2 11 CYS CB C -8.132 -6.629 2.887 1.00 . B A . 11 CYS CB 1 1 15 12162 2 2 11 CYS H H -7.111 -5.878 0.692 1.00 . B A . 11 CYS H 1 1 15 12163 2 2 11 CYS HA H -6.143 -7.374 2.915 1.00 . B A . 11 CYS HA 1 1 15 12164 2 2 11 CYS HB2 H -7.974 -5.562 2.885 1.00 . B A . 11 CYS HB2 1 1 15 12165 2 2 11 CYS HB3 H -9.029 -6.850 2.326 1.00 . B A . 11 CYS HB3 1 1 15 12166 2 2 11 CYS N N -6.500 -6.531 1.101 1.00 . B A . 11 CYS N 1 1 15 12167 2 2 11 CYS O O -7.190 -9.682 2.551 1.00 . B A . 11 CYS O 1 1 15 12168 2 2 11 CYS SG S -8.401 -7.171 4.597 1.00 . B A . 11 CYS SG 1 1 15 12169 2 2 12 HIS C C -7.034 -10.959 -0.540 1.00 . B A . 12 HIS C 1 1 15 12170 2 2 12 HIS CA C -8.201 -10.200 0.040 1.00 . B A . 12 HIS CA 1 1 15 12171 2 2 12 HIS CB C -9.314 -10.103 -1.012 1.00 . B A . 12 HIS CB 1 1 15 12172 2 2 12 HIS CD2 C -11.166 -8.715 0.148 1.00 . B A . 12 HIS CD2 1 1 15 12173 2 2 12 HIS CE1 C -12.823 -10.092 -0.026 1.00 . B A . 12 HIS CE1 1 1 15 12174 2 2 12 HIS CG C -10.686 -9.817 -0.467 1.00 . B A . 12 HIS CG 1 1 15 12175 2 2 12 HIS H H -7.908 -8.095 -0.051 1.00 . B A . 12 HIS H 1 1 15 12176 2 2 12 HIS HA H -8.583 -10.759 0.882 1.00 . B A . 12 HIS HA 1 1 15 12177 2 2 12 HIS HB2 H -9.061 -9.296 -1.684 1.00 . B A . 12 HIS HB2 1 1 15 12178 2 2 12 HIS HB3 H -9.333 -11.024 -1.574 1.00 . B A . 12 HIS HB3 1 1 15 12179 2 2 12 HIS HD1 H -11.755 -11.595 -0.939 1.00 . B A . 12 HIS HD1 1 1 15 12180 2 2 12 HIS HD2 H -10.581 -7.837 0.383 1.00 . B A . 12 HIS HD2 1 1 15 12181 2 2 12 HIS HE1 H -13.806 -10.534 0.033 1.00 . B A . 12 HIS HE1 1 1 15 12182 2 2 12 HIS N N -7.806 -8.882 0.537 1.00 . B A . 12 HIS N 1 1 15 12183 2 2 12 HIS ND1 N -11.758 -10.685 -0.566 1.00 . B A . 12 HIS ND1 1 1 15 12184 2 2 12 HIS NE2 N -12.517 -8.886 0.425 1.00 . B A . 12 HIS NE2 1 1 15 12185 2 2 12 HIS O O -6.783 -12.109 -0.184 1.00 . B A . 12 HIS O 1 1 15 12186 2 2 13 VAL C C -3.899 -10.317 -1.802 1.00 . B A . 13 VAL C 1 1 15 12187 2 2 13 VAL CA C -5.230 -10.978 -2.115 1.00 . B A . 13 VAL CA 1 1 15 12188 2 2 13 VAL CB C -5.465 -11.054 -3.650 1.00 . B A . 13 VAL CB 1 1 15 12189 2 2 13 VAL CG1 C -6.581 -12.036 -3.965 1.00 . B A . 13 VAL CG1 1 1 15 12190 2 2 13 VAL CG2 C -5.826 -9.695 -4.233 1.00 . B A . 13 VAL CG2 1 1 15 12191 2 2 13 VAL H H -6.549 -9.390 -1.624 1.00 . B A . 13 VAL H 1 1 15 12192 2 2 13 VAL HA H -5.188 -11.987 -1.734 1.00 . B A . 13 VAL HA 1 1 15 12193 2 2 13 VAL HB H -4.527 -11.370 -4.078 1.00 . B A . 13 VAL HB 1 1 15 12194 2 2 13 VAL HG11 H -6.310 -13.021 -3.611 1.00 . B A . 13 VAL HG11 1 1 15 12195 2 2 13 VAL HG12 H -6.752 -12.064 -5.031 1.00 . B A . 13 VAL HG12 1 1 15 12196 2 2 13 VAL HG13 H -7.481 -11.710 -3.464 1.00 . B A . 13 VAL HG13 1 1 15 12197 2 2 13 VAL HG21 H -5.014 -9.003 -4.064 1.00 . B A . 13 VAL HG21 1 1 15 12198 2 2 13 VAL HG22 H -6.720 -9.326 -3.752 1.00 . B A . 13 VAL HG22 1 1 15 12199 2 2 13 VAL HG23 H -6.004 -9.792 -5.293 1.00 . B A . 13 VAL HG23 1 1 15 12200 2 2 13 VAL N N -6.331 -10.328 -1.430 1.00 . B A . 13 VAL N 1 1 15 12201 2 2 13 VAL O O -2.903 -10.989 -1.532 1.00 . B A . 13 VAL O 1 1 15 12202 2 2 14 GLY C C -2.444 -7.300 -2.648 1.00 . B A . 14 GLY C 1 1 15 12203 2 2 14 GLY CA C -2.728 -8.260 -1.540 1.00 . B A . 14 GLY CA 1 1 15 12204 2 2 14 GLY H H -4.714 -8.577 -2.140 1.00 . B A . 14 GLY H 1 1 15 12205 2 2 14 GLY HA2 H -2.889 -7.718 -0.621 1.00 . B A . 14 GLY HA2 1 1 15 12206 2 2 14 GLY HA3 H -1.874 -8.893 -1.391 1.00 . B A . 14 GLY HA3 1 1 15 12207 2 2 14 GLY N N -3.897 -9.027 -1.842 1.00 . B A . 14 GLY N 1 1 15 12208 2 2 14 GLY O O -3.116 -7.335 -3.697 1.00 . B A . 14 GLY O 1 1 15 12209 2 2 15 CYS C C 0.278 -5.104 -3.363 1.00 . B A . 15 CYS C 1 1 15 12210 2 2 15 CYS CA C -1.165 -5.468 -3.451 1.00 . B A . 15 CYS CA 1 1 15 12211 2 2 15 CYS CB C -2.016 -4.230 -3.239 1.00 . B A . 15 CYS CB 1 1 15 12212 2 2 15 CYS H H -0.959 -6.473 -1.630 1.00 . B A . 15 CYS H 1 1 15 12213 2 2 15 CYS HA H -1.382 -5.871 -4.427 1.00 . B A . 15 CYS HA 1 1 15 12214 2 2 15 CYS HB2 H -1.689 -3.463 -3.925 1.00 . B A . 15 CYS HB2 1 1 15 12215 2 2 15 CYS HB3 H -3.044 -4.474 -3.448 1.00 . B A . 15 CYS HB3 1 1 15 12216 2 2 15 CYS N N -1.491 -6.458 -2.460 1.00 . B A . 15 CYS N 1 1 15 12217 2 2 15 CYS O O 0.933 -5.349 -2.330 1.00 . B A . 15 CYS O 1 1 15 12218 2 2 15 CYS SG S -1.911 -3.560 -1.552 1.00 . B A . 15 CYS SG 1 1 15 12219 2 2 16 THR C C 2.237 -2.783 -3.742 1.00 . B A . 16 THR C 1 1 15 12220 2 2 16 THR CA C 2.121 -4.113 -4.428 1.00 . B A . 16 THR CA 1 1 15 12221 2 2 16 THR CB C 2.695 -4.035 -5.858 1.00 . B A . 16 THR CB 1 1 15 12222 2 2 16 THR CG2 C 2.900 -5.424 -6.441 1.00 . B A . 16 THR CG2 1 1 15 12223 2 2 16 THR H H 0.236 -4.349 -5.199 1.00 . B A . 16 THR H 1 1 15 12224 2 2 16 THR HA H 2.694 -4.835 -3.871 1.00 . B A . 16 THR HA 1 1 15 12225 2 2 16 THR HB H 3.649 -3.530 -5.806 1.00 . B A . 16 THR HB 1 1 15 12226 2 2 16 THR HG1 H 1.376 -3.862 -7.314 1.00 . B A . 16 THR HG1 1 1 15 12227 2 2 16 THR HG21 H 1.951 -5.938 -6.481 1.00 . B A . 16 THR HG21 1 1 15 12228 2 2 16 THR HG22 H 3.585 -5.981 -5.819 1.00 . B A . 16 THR HG22 1 1 15 12229 2 2 16 THR HG23 H 3.306 -5.341 -7.439 1.00 . B A . 16 THR HG23 1 1 15 12230 2 2 16 THR N N 0.787 -4.532 -4.410 1.00 . B A . 16 THR N 1 1 15 12231 2 2 16 THR O O 1.268 -2.034 -3.622 1.00 . B A . 16 THR O 1 1 15 12232 2 2 16 THR OG1 O 1.822 -3.266 -6.698 1.00 . B A . 16 THR OG1 1 1 15 12233 2 2 17 LYS C C 3.470 -0.095 -3.632 1.00 . B A . 17 LYS C 1 1 15 12234 2 2 17 LYS CA C 3.659 -1.250 -2.626 1.00 . B A . 17 LYS CA 1 1 15 12235 2 2 17 LYS CB C 5.060 -1.325 -2.042 1.00 . B A . 17 LYS CB 1 1 15 12236 2 2 17 LYS CD C 4.402 -1.262 0.370 1.00 . B A . 17 LYS CD 1 1 15 12237 2 2 17 LYS CE C 4.716 -0.683 1.737 1.00 . B A . 17 LYS CE 1 1 15 12238 2 2 17 LYS CG C 5.261 -0.635 -0.721 1.00 . B A . 17 LYS CG 1 1 15 12239 2 2 17 LYS H H 4.089 -3.173 -3.429 1.00 . B A . 17 LYS H 1 1 15 12240 2 2 17 LYS HA H 2.930 -1.089 -1.839 1.00 . B A . 17 LYS HA 1 1 15 12241 2 2 17 LYS HB2 H 5.224 -2.372 -1.854 1.00 . B A . 17 LYS HB2 1 1 15 12242 2 2 17 LYS HB3 H 5.818 -0.987 -2.732 1.00 . B A . 17 LYS HB3 1 1 15 12243 2 2 17 LYS HD2 H 3.360 -1.081 0.155 1.00 . B A . 17 LYS HD2 1 1 15 12244 2 2 17 LYS HD3 H 4.586 -2.327 0.391 1.00 . B A . 17 LYS HD3 1 1 15 12245 2 2 17 LYS HE2 H 4.487 0.373 1.732 1.00 . B A . 17 LYS HE2 1 1 15 12246 2 2 17 LYS HE3 H 4.101 -1.180 2.473 1.00 . B A . 17 LYS HE3 1 1 15 12247 2 2 17 LYS HG2 H 6.296 -0.793 -0.458 1.00 . B A . 17 LYS HG2 1 1 15 12248 2 2 17 LYS HG3 H 5.040 0.419 -0.809 1.00 . B A . 17 LYS HG3 1 1 15 12249 2 2 17 LYS HZ1 H 6.324 -0.725 3.109 1.00 . B A . 17 LYS HZ1 1 1 15 12250 2 2 17 LYS HZ2 H 6.749 -0.219 1.558 1.00 . B A . 17 LYS HZ2 1 1 15 12251 2 2 17 LYS HZ3 H 6.471 -1.822 1.838 1.00 . B A . 17 LYS HZ3 1 1 15 12252 2 2 17 LYS N N 3.393 -2.490 -3.301 1.00 . B A . 17 LYS N 1 1 15 12253 2 2 17 LYS NZ N 6.139 -0.862 2.094 1.00 . B A . 17 LYS NZ 1 1 15 12254 2 2 17 LYS O O 3.063 0.978 -3.256 1.00 . B A . 17 LYS O 1 1 15 12255 2 2 18 ARG C C 1.897 0.848 -6.095 1.00 . B A . 18 ARG C 1 1 15 12256 2 2 18 ARG CA C 3.386 0.567 -6.038 1.00 . B A . 18 ARG CA 1 1 15 12257 2 2 18 ARG CB C 3.788 0.011 -7.410 1.00 . B A . 18 ARG CB 1 1 15 12258 2 2 18 ARG CD C 5.486 -0.288 -9.216 1.00 . B A . 18 ARG CD 1 1 15 12259 2 2 18 ARG CG C 5.213 0.265 -7.822 1.00 . B A . 18 ARG CG 1 1 15 12260 2 2 18 ARG CZ C 5.083 -2.479 -10.366 1.00 . B A . 18 ARG CZ 1 1 15 12261 2 2 18 ARG H H 4.152 -1.227 -5.146 1.00 . B A . 18 ARG H 1 1 15 12262 2 2 18 ARG HA H 3.924 1.486 -5.864 1.00 . B A . 18 ARG HA 1 1 15 12263 2 2 18 ARG HB2 H 3.638 -1.058 -7.399 1.00 . B A . 18 ARG HB2 1 1 15 12264 2 2 18 ARG HB3 H 3.134 0.437 -8.156 1.00 . B A . 18 ARG HB3 1 1 15 12265 2 2 18 ARG HD2 H 4.756 0.120 -9.898 1.00 . B A . 18 ARG HD2 1 1 15 12266 2 2 18 ARG HD3 H 6.472 0.025 -9.520 1.00 . B A . 18 ARG HD3 1 1 15 12267 2 2 18 ARG HE H 5.697 -2.245 -8.463 1.00 . B A . 18 ARG HE 1 1 15 12268 2 2 18 ARG HG2 H 5.391 1.331 -7.822 1.00 . B A . 18 ARG HG2 1 1 15 12269 2 2 18 ARG HG3 H 5.868 -0.214 -7.110 1.00 . B A . 18 ARG HG3 1 1 15 12270 2 2 18 ARG HH11 H 4.566 -0.874 -11.540 1.00 . B A . 18 ARG HH11 1 1 15 12271 2 2 18 ARG HH12 H 4.398 -2.387 -12.290 1.00 . B A . 18 ARG HH12 1 1 15 12272 2 2 18 ARG HH21 H 5.503 -4.309 -9.537 1.00 . B A . 18 ARG HH21 1 1 15 12273 2 2 18 ARG HH22 H 4.941 -4.357 -11.144 1.00 . B A . 18 ARG HH22 1 1 15 12274 2 2 18 ARG N N 3.711 -0.378 -4.935 1.00 . B A . 18 ARG N 1 1 15 12275 2 2 18 ARG NE N 5.417 -1.764 -9.277 1.00 . B A . 18 ARG NE 1 1 15 12276 2 2 18 ARG NH1 N 4.656 -1.870 -11.467 1.00 . B A . 18 ARG NH1 1 1 15 12277 2 2 18 ARG NH2 N 5.180 -3.801 -10.342 1.00 . B A . 18 ARG NH2 1 1 15 12278 2 2 18 ARG O O 1.463 1.940 -6.488 1.00 . B A . 18 ARG O 1 1 15 12279 2 2 19 SER C C -0.770 0.928 -4.699 1.00 . B A . 19 SER C 1 1 15 12280 2 2 19 SER CA C -0.297 -0.063 -5.748 1.00 . B A . 19 SER CA 1 1 15 12281 2 2 19 SER CB C -0.889 -1.470 -5.552 1.00 . B A . 19 SER CB 1 1 15 12282 2 2 19 SER H H 1.532 -0.942 -5.331 1.00 . B A . 19 SER H 1 1 15 12283 2 2 19 SER HA H -0.576 0.309 -6.723 1.00 . B A . 19 SER HA 1 1 15 12284 2 2 19 SER HB2 H -0.459 -2.116 -6.301 1.00 . B A . 19 SER HB2 1 1 15 12285 2 2 19 SER HB3 H -0.609 -1.840 -4.576 1.00 . B A . 19 SER HB3 1 1 15 12286 2 2 19 SER HG H -2.503 -1.030 -6.509 1.00 . B A . 19 SER HG 1 1 15 12287 2 2 19 SER N N 1.127 -0.132 -5.706 1.00 . B A . 19 SER N 1 1 15 12288 2 2 19 SER O O -1.634 1.740 -4.967 1.00 . B A . 19 SER O 1 1 15 12289 2 2 19 SER OG O -2.289 -1.499 -5.693 1.00 . B A . 19 SER OG 1 1 15 12290 2 2 20 LEU C C 0.156 3.214 -2.887 1.00 . B A . 20 LEU C 1 1 15 12291 2 2 20 LEU CA C -0.509 1.931 -2.528 1.00 . B A . 20 LEU CA 1 1 15 12292 2 2 20 LEU CB C -0.198 1.582 -1.048 1.00 . B A . 20 LEU CB 1 1 15 12293 2 2 20 LEU CD1 C 0.246 -0.894 -0.980 1.00 . B A . 20 LEU CD1 1 1 15 12294 2 2 20 LEU CD2 C -0.684 0.236 1.003 1.00 . B A . 20 LEU CD2 1 1 15 12295 2 2 20 LEU CG C -0.645 0.221 -0.502 1.00 . B A . 20 LEU CG 1 1 15 12296 2 2 20 LEU H H 0.485 0.189 -3.338 1.00 . B A . 20 LEU H 1 1 15 12297 2 2 20 LEU HA H -1.548 2.202 -2.623 1.00 . B A . 20 LEU HA 1 1 15 12298 2 2 20 LEU HB2 H 0.812 1.808 -0.746 1.00 . B A . 20 LEU HB2 1 1 15 12299 2 2 20 LEU HB3 H -0.781 2.311 -0.513 1.00 . B A . 20 LEU HB3 1 1 15 12300 2 2 20 LEU HD11 H 1.257 -0.699 -0.655 1.00 . B A . 20 LEU HD11 1 1 15 12301 2 2 20 LEU HD12 H 0.208 -0.954 -2.057 1.00 . B A . 20 LEU HD12 1 1 15 12302 2 2 20 LEU HD13 H -0.093 -1.828 -0.556 1.00 . B A . 20 LEU HD13 1 1 15 12303 2 2 20 LEU HD21 H 0.325 0.391 1.358 1.00 . B A . 20 LEU HD21 1 1 15 12304 2 2 20 LEU HD22 H -1.041 -0.718 1.360 1.00 . B A . 20 LEU HD22 1 1 15 12305 2 2 20 LEU HD23 H -1.330 1.027 1.353 1.00 . B A . 20 LEU HD23 1 1 15 12306 2 2 20 LEU HG H -1.642 0.032 -0.864 1.00 . B A . 20 LEU HG 1 1 15 12307 2 2 20 LEU N N -0.159 0.910 -3.520 1.00 . B A . 20 LEU N 1 1 15 12308 2 2 20 LEU O O -0.433 4.249 -2.750 1.00 . B A . 20 LEU O 1 1 15 12309 2 2 21 ALA C C 1.507 5.235 -4.766 1.00 . B A . 21 ALA C 1 1 15 12310 2 2 21 ALA CA C 2.187 4.288 -3.786 1.00 . B A . 21 ALA CA 1 1 15 12311 2 2 21 ALA CB C 3.537 3.860 -4.343 1.00 . B A . 21 ALA CB 1 1 15 12312 2 2 21 ALA H H 1.672 2.194 -3.562 1.00 . B A . 21 ALA H 1 1 15 12313 2 2 21 ALA HA H 2.366 4.835 -2.872 1.00 . B A . 21 ALA HA 1 1 15 12314 2 2 21 ALA HB1 H 4.175 4.725 -4.446 1.00 . B A . 21 ALA HB1 1 1 15 12315 2 2 21 ALA HB2 H 3.387 3.416 -5.316 1.00 . B A . 21 ALA HB2 1 1 15 12316 2 2 21 ALA HB3 H 3.996 3.141 -3.681 1.00 . B A . 21 ALA HB3 1 1 15 12317 2 2 21 ALA N N 1.350 3.115 -3.428 1.00 . B A . 21 ALA N 1 1 15 12318 2 2 21 ALA O O 1.741 6.440 -4.733 1.00 . B A . 21 ALA O 1 1 15 12319 2 2 22 ARG C C -1.191 6.272 -5.962 1.00 . B A . 22 ARG C 1 1 15 12320 2 2 22 ARG CA C -0.033 5.510 -6.614 1.00 . B A . 22 ARG CA 1 1 15 12321 2 2 22 ARG CB C -0.475 4.670 -7.821 1.00 . B A . 22 ARG CB 1 1 15 12322 2 2 22 ARG CD C -1.509 2.560 -8.677 1.00 . B A . 22 ARG CD 1 1 15 12323 2 2 22 ARG CG C -1.381 3.500 -7.492 1.00 . B A . 22 ARG CG 1 1 15 12324 2 2 22 ARG CZ C 0.060 1.311 -10.187 1.00 . B A . 22 ARG CZ 1 1 15 12325 2 2 22 ARG H H 0.588 3.717 -5.642 1.00 . B A . 22 ARG H 1 1 15 12326 2 2 22 ARG HA H 0.675 6.255 -6.951 1.00 . B A . 22 ARG HA 1 1 15 12327 2 2 22 ARG HB2 H -1.003 5.312 -8.509 1.00 . B A . 22 ARG HB2 1 1 15 12328 2 2 22 ARG HB3 H 0.405 4.287 -8.316 1.00 . B A . 22 ARG HB3 1 1 15 12329 2 2 22 ARG HD2 H -2.157 1.741 -8.407 1.00 . B A . 22 ARG HD2 1 1 15 12330 2 2 22 ARG HD3 H -1.935 3.103 -9.507 1.00 . B A . 22 ARG HD3 1 1 15 12331 2 2 22 ARG HE H 0.547 2.261 -8.468 1.00 . B A . 22 ARG HE 1 1 15 12332 2 2 22 ARG HG2 H -0.964 2.957 -6.656 1.00 . B A . 22 ARG HG2 1 1 15 12333 2 2 22 ARG HG3 H -2.360 3.874 -7.229 1.00 . B A . 22 ARG HG3 1 1 15 12334 2 2 22 ARG HH11 H -1.888 1.182 -10.828 1.00 . B A . 22 ARG HH11 1 1 15 12335 2 2 22 ARG HH12 H -0.767 0.415 -11.838 1.00 . B A . 22 ARG HH12 1 1 15 12336 2 2 22 ARG HH21 H 2.078 1.239 -9.894 1.00 . B A . 22 ARG HH21 1 1 15 12337 2 2 22 ARG HH22 H 1.524 0.425 -11.293 1.00 . B A . 22 ARG HH22 1 1 15 12338 2 2 22 ARG N N 0.685 4.693 -5.641 1.00 . B A . 22 ARG N 1 1 15 12339 2 2 22 ARG NE N -0.190 2.029 -9.078 1.00 . B A . 22 ARG NE 1 1 15 12340 2 2 22 ARG NH1 N -0.929 0.945 -10.998 1.00 . B A . 22 ARG NH1 1 1 15 12341 2 2 22 ARG NH2 N 1.307 0.969 -10.478 1.00 . B A . 22 ARG NH2 1 1 15 12342 2 2 22 ARG O O -1.679 7.260 -6.497 1.00 . B A . 22 ARG O 1 1 15 12343 2 2 23 PHE C C -1.940 7.355 -2.977 1.00 . B A . 23 PHE C 1 1 15 12344 2 2 23 PHE CA C -2.622 6.497 -4.018 1.00 . B A . 23 PHE CA 1 1 15 12345 2 2 23 PHE CB C -3.577 5.496 -3.343 1.00 . B A . 23 PHE CB 1 1 15 12346 2 2 23 PHE CD1 C -4.034 3.624 -4.953 1.00 . B A . 23 PHE CD1 1 1 15 12347 2 2 23 PHE CD2 C -5.761 5.189 -4.515 1.00 . B A . 23 PHE CD2 1 1 15 12348 2 2 23 PHE CE1 C -4.860 2.943 -5.823 1.00 . B A . 23 PHE CE1 1 1 15 12349 2 2 23 PHE CE2 C -6.592 4.519 -5.380 1.00 . B A . 23 PHE CE2 1 1 15 12350 2 2 23 PHE CG C -4.473 4.751 -4.290 1.00 . B A . 23 PHE CG 1 1 15 12351 2 2 23 PHE CZ C -6.143 3.391 -6.038 1.00 . B A . 23 PHE CZ 1 1 15 12352 2 2 23 PHE H H -1.179 5.010 -4.435 1.00 . B A . 23 PHE H 1 1 15 12353 2 2 23 PHE HA H -3.176 7.142 -4.678 1.00 . B A . 23 PHE HA 1 1 15 12354 2 2 23 PHE HB2 H -2.992 4.764 -2.805 1.00 . B A . 23 PHE HB2 1 1 15 12355 2 2 23 PHE HB3 H -4.200 6.029 -2.642 1.00 . B A . 23 PHE HB3 1 1 15 12356 2 2 23 PHE HD1 H -3.026 3.271 -4.784 1.00 . B A . 23 PHE HD1 1 1 15 12357 2 2 23 PHE HD2 H -6.116 6.069 -4.001 1.00 . B A . 23 PHE HD2 1 1 15 12358 2 2 23 PHE HE1 H -4.501 2.062 -6.335 1.00 . B A . 23 PHE HE1 1 1 15 12359 2 2 23 PHE HE2 H -7.597 4.878 -5.540 1.00 . B A . 23 PHE HE2 1 1 15 12360 2 2 23 PHE HZ H -6.795 2.864 -6.718 1.00 . B A . 23 PHE HZ 1 1 15 12361 2 2 23 PHE N N -1.600 5.818 -4.799 1.00 . B A . 23 PHE N 1 1 15 12362 2 2 23 PHE O O -2.141 8.566 -2.902 1.00 . B A . 23 PHE O 1 1 15 12363 2 2 24 CYS C C 0.918 6.461 -0.970 1.00 . B A . 24 CYS C 1 1 15 12364 2 2 24 CYS CA C -0.312 7.323 -1.188 1.00 . B A . 24 CYS CA 1 1 15 12365 2 2 24 CYS CB C -1.100 7.483 0.123 1.00 . B A . 24 CYS CB 1 1 15 12366 2 2 24 CYS H H -1.033 5.740 -2.374 1.00 . B A . 24 CYS H 1 1 15 12367 2 2 24 CYS HA H 0.002 8.293 -1.544 1.00 . B A . 24 CYS HA 1 1 15 12368 2 2 24 CYS HB2 H -1.932 8.151 -0.051 1.00 . B A . 24 CYS HB2 1 1 15 12369 2 2 24 CYS HB3 H -1.483 6.518 0.420 1.00 . B A . 24 CYS HB3 1 1 15 12370 2 2 24 CYS N N -1.119 6.713 -2.219 1.00 . B A . 24 CYS N 1 1 15 12371 2 2 24 CYS O O 0.849 5.414 -0.329 1.00 . B A . 24 CYS O 1 1 15 12372 2 2 24 CYS SG S -0.134 8.170 1.529 1.00 . B A . 24 CYS SG 1 1 15 12373 2 2 25 NH2 HN1 H 2.005 7.698 -2.060 1.00 . B A . 25 NH2 HN1 1 1 15 12374 2 2 25 NH2 HN2 H 2.809 6.281 -1.485 1.00 . B A . 25 NH2 HN2 1 1 15 12375 2 2 25 NH2 N N 2.018 6.852 -1.563 1.00 . B A . 25 NH2 N 1 1 16 12376 1 1 1 ASP C C 11.375 -1.695 0.353 1.00 . A B . 1 ASP C 1 1 16 12377 1 1 1 ASP CA C 10.836 -1.609 1.739 1.00 . A B . 1 ASP CA 1 1 16 12378 1 1 1 ASP CB C 11.485 -2.616 2.667 1.00 . A B . 1 ASP CB 1 1 16 12379 1 1 1 ASP CG C 11.127 -2.352 4.092 1.00 . A B . 1 ASP CG 1 1 16 12380 1 1 1 ASP H1 H 9.124 -2.686 1.317 1.00 . A B . 1 ASP H1 1 1 16 12381 1 1 1 ASP H2 H 8.941 -1.016 1.152 1.00 . A B . 1 ASP H2 1 1 16 12382 1 1 1 ASP H3 H 9.021 -1.727 2.702 1.00 . A B . 1 ASP H3 1 1 16 12383 1 1 1 ASP HA H 11.044 -0.612 2.090 1.00 . A B . 1 ASP HA 1 1 16 12384 1 1 1 ASP HB2 H 11.138 -3.605 2.408 1.00 . A B . 1 ASP HB2 1 1 16 12385 1 1 1 ASP HB3 H 12.559 -2.570 2.564 1.00 . A B . 1 ASP HB3 1 1 16 12386 1 1 1 ASP N N 9.380 -1.759 1.728 1.00 . A B . 1 ASP N 1 1 16 12387 1 1 1 ASP O O 12.245 -0.939 -0.023 1.00 . A B . 1 ASP O 1 1 16 12388 1 1 1 ASP OD1 O 9.990 -2.667 4.494 1.00 . A B . 1 ASP OD1 1 1 16 12389 1 1 1 ASP OD2 O 11.964 -1.805 4.836 1.00 . A B . 1 ASP OD2 1 1 16 12390 1 1 2 SER C C 10.116 -1.793 -2.455 1.00 . A B . 2 SER C 1 1 16 12391 1 1 2 SER CA C 11.168 -2.661 -1.799 1.00 . A B . 2 SER CA 1 1 16 12392 1 1 2 SER CB C 11.040 -4.060 -2.297 1.00 . A B . 2 SER CB 1 1 16 12393 1 1 2 SER H H 10.233 -3.279 -0.054 1.00 . A B . 2 SER H 1 1 16 12394 1 1 2 SER HA H 12.158 -2.268 -1.972 1.00 . A B . 2 SER HA 1 1 16 12395 1 1 2 SER HB2 H 9.994 -4.199 -2.502 1.00 . A B . 2 SER HB2 1 1 16 12396 1 1 2 SER HB3 H 11.583 -4.150 -3.225 1.00 . A B . 2 SER HB3 1 1 16 12397 1 1 2 SER HG H 12.059 -4.482 -0.688 1.00 . A B . 2 SER HG 1 1 16 12398 1 1 2 SER N N 10.861 -2.608 -0.411 1.00 . A B . 2 SER N 1 1 16 12399 1 1 2 SER O O 8.918 -2.008 -2.283 1.00 . A B . 2 SER O 1 1 16 12400 1 1 2 SER OG O 11.569 -4.981 -1.350 1.00 . A B . 2 SER OG 1 1 16 12401 1 1 3 TRP C C 9.222 -0.088 -5.059 1.00 . A B . 3 TRP C 1 1 16 12402 1 1 3 TRP CA C 9.635 0.189 -3.631 1.00 . A B . 3 TRP CA 1 1 16 12403 1 1 3 TRP CB C 10.178 1.597 -3.433 1.00 . A B . 3 TRP CB 1 1 16 12404 1 1 3 TRP CD1 C 11.724 2.152 -1.477 1.00 . A B . 3 TRP CD1 1 1 16 12405 1 1 3 TRP CD2 C 9.602 1.842 -0.868 1.00 . A B . 3 TRP CD2 1 1 16 12406 1 1 3 TRP CE2 C 10.359 2.142 0.280 1.00 . A B . 3 TRP CE2 1 1 16 12407 1 1 3 TRP CE3 C 8.234 1.601 -0.723 1.00 . A B . 3 TRP CE3 1 1 16 12408 1 1 3 TRP CG C 10.503 1.878 -1.990 1.00 . A B . 3 TRP CG 1 1 16 12409 1 1 3 TRP CH2 C 8.464 1.958 1.661 1.00 . A B . 3 TRP CH2 1 1 16 12410 1 1 3 TRP CZ2 C 9.799 2.203 1.552 1.00 . A B . 3 TRP CZ2 1 1 16 12411 1 1 3 TRP CZ3 C 7.684 1.658 0.541 1.00 . A B . 3 TRP CZ3 1 1 16 12412 1 1 3 TRP H H 11.511 -0.751 -3.235 1.00 . A B . 3 TRP H 1 1 16 12413 1 1 3 TRP HA H 8.738 0.099 -3.034 1.00 . A B . 3 TRP HA 1 1 16 12414 1 1 3 TRP HB2 H 11.078 1.718 -4.016 1.00 . A B . 3 TRP HB2 1 1 16 12415 1 1 3 TRP HB3 H 9.438 2.314 -3.754 1.00 . A B . 3 TRP HB3 1 1 16 12416 1 1 3 TRP HD1 H 12.623 2.235 -2.068 1.00 . A B . 3 TRP HD1 1 1 16 12417 1 1 3 TRP HE1 H 12.391 2.547 0.479 1.00 . A B . 3 TRP HE1 1 1 16 12418 1 1 3 TRP HE3 H 7.612 1.369 -1.575 1.00 . A B . 3 TRP HE3 1 1 16 12419 1 1 3 TRP HH2 H 7.985 1.990 2.629 1.00 . A B . 3 TRP HH2 1 1 16 12420 1 1 3 TRP HZ2 H 10.389 2.433 2.426 1.00 . A B . 3 TRP HZ2 1 1 16 12421 1 1 3 TRP HZ3 H 6.632 1.463 0.673 1.00 . A B . 3 TRP HZ3 1 1 16 12422 1 1 3 TRP N N 10.544 -0.796 -3.100 1.00 . A B . 3 TRP N 1 1 16 12423 1 1 3 TRP NE1 N 11.643 2.329 -0.121 1.00 . A B . 3 TRP NE1 1 1 16 12424 1 1 3 TRP O O 8.146 0.313 -5.485 1.00 . A B . 3 TRP O 1 1 16 12425 1 1 4 MET C C 8.830 -2.306 -7.237 1.00 . A B . 4 MET C 1 1 16 12426 1 1 4 MET CA C 9.733 -1.094 -7.177 1.00 . A B . 4 MET CA 1 1 16 12427 1 1 4 MET CB C 10.983 -1.311 -8.039 1.00 . A B . 4 MET CB 1 1 16 12428 1 1 4 MET CE C 14.212 -1.571 -8.241 1.00 . A B . 4 MET CE 1 1 16 12429 1 1 4 MET CG C 11.855 -0.078 -8.201 1.00 . A B . 4 MET CG 1 1 16 12430 1 1 4 MET H H 10.911 -1.083 -5.408 1.00 . A B . 4 MET H 1 1 16 12431 1 1 4 MET HA H 9.182 -0.250 -7.567 1.00 . A B . 4 MET HA 1 1 16 12432 1 1 4 MET HB2 H 11.580 -2.096 -7.602 1.00 . A B . 4 MET HB2 1 1 16 12433 1 1 4 MET HB3 H 10.667 -1.630 -9.022 1.00 . A B . 4 MET HB3 1 1 16 12434 1 1 4 MET HE1 H 13.619 -2.465 -8.120 1.00 . A B . 4 MET HE1 1 1 16 12435 1 1 4 MET HE2 H 14.431 -1.147 -7.273 1.00 . A B . 4 MET HE2 1 1 16 12436 1 1 4 MET HE3 H 15.138 -1.821 -8.739 1.00 . A B . 4 MET HE3 1 1 16 12437 1 1 4 MET HG2 H 11.267 0.706 -8.653 1.00 . A B . 4 MET HG2 1 1 16 12438 1 1 4 MET HG3 H 12.181 0.243 -7.223 1.00 . A B . 4 MET HG3 1 1 16 12439 1 1 4 MET N N 10.065 -0.779 -5.801 1.00 . A B . 4 MET N 1 1 16 12440 1 1 4 MET O O 7.839 -2.316 -7.963 1.00 . A B . 4 MET O 1 1 16 12441 1 1 4 MET SD S 13.311 -0.374 -9.232 1.00 . A B . 4 MET SD 1 1 16 12442 1 1 5 GLU C C 8.164 -4.994 -5.021 1.00 . A B . 5 GLU C 1 1 16 12443 1 1 5 GLU CA C 8.346 -4.502 -6.450 1.00 . A B . 5 GLU CA 1 1 16 12444 1 1 5 GLU CB C 8.929 -5.598 -7.347 1.00 . A B . 5 GLU CB 1 1 16 12445 1 1 5 GLU CD C 8.669 -7.906 -8.300 1.00 . A B . 5 GLU CD 1 1 16 12446 1 1 5 GLU CG C 8.105 -6.870 -7.375 1.00 . A B . 5 GLU CG 1 1 16 12447 1 1 5 GLU H H 9.979 -3.286 -5.945 1.00 . A B . 5 GLU H 1 1 16 12448 1 1 5 GLU HA H 7.375 -4.227 -6.834 1.00 . A B . 5 GLU HA 1 1 16 12449 1 1 5 GLU HB2 H 8.999 -5.220 -8.356 1.00 . A B . 5 GLU HB2 1 1 16 12450 1 1 5 GLU HB3 H 9.922 -5.843 -6.999 1.00 . A B . 5 GLU HB3 1 1 16 12451 1 1 5 GLU HG2 H 8.069 -7.282 -6.377 1.00 . A B . 5 GLU HG2 1 1 16 12452 1 1 5 GLU HG3 H 7.103 -6.625 -7.695 1.00 . A B . 5 GLU HG3 1 1 16 12453 1 1 5 GLU N N 9.162 -3.323 -6.489 1.00 . A B . 5 GLU N 1 1 16 12454 1 1 5 GLU O O 9.117 -5.476 -4.397 1.00 . A B . 5 GLU O 1 1 16 12455 1 1 5 GLU OE1 O 9.590 -8.651 -7.897 1.00 . A B . 5 GLU OE1 1 1 16 12456 1 1 5 GLU OE2 O 8.199 -8.002 -9.452 1.00 . A B . 5 GLU OE2 1 1 16 12457 1 1 6 GLU C C 5.140 -5.555 -3.145 1.00 . A B . 6 GLU C 1 1 16 12458 1 1 6 GLU CA C 6.630 -5.367 -3.192 1.00 . A B . 6 GLU CA 1 1 16 12459 1 1 6 GLU CB C 7.038 -4.422 -2.069 1.00 . A B . 6 GLU CB 1 1 16 12460 1 1 6 GLU CD C 7.691 -4.166 0.362 1.00 . A B . 6 GLU CD 1 1 16 12461 1 1 6 GLU CG C 7.174 -5.095 -0.704 1.00 . A B . 6 GLU CG 1 1 16 12462 1 1 6 GLU H H 6.260 -4.392 -5.001 1.00 . A B . 6 GLU H 1 1 16 12463 1 1 6 GLU HA H 7.116 -6.322 -3.067 1.00 . A B . 6 GLU HA 1 1 16 12464 1 1 6 GLU HB2 H 7.894 -3.808 -2.305 1.00 . A B . 6 GLU HB2 1 1 16 12465 1 1 6 GLU HB3 H 6.184 -3.773 -1.981 1.00 . A B . 6 GLU HB3 1 1 16 12466 1 1 6 GLU HG2 H 6.205 -5.458 -0.398 1.00 . A B . 6 GLU HG2 1 1 16 12467 1 1 6 GLU HG3 H 7.853 -5.930 -0.794 1.00 . A B . 6 GLU HG3 1 1 16 12468 1 1 6 GLU N N 6.967 -4.847 -4.498 1.00 . A B . 6 GLU N 1 1 16 12469 1 1 6 GLU O O 4.390 -4.788 -3.768 1.00 . A B . 6 GLU O 1 1 16 12470 1 1 6 GLU OE1 O 6.896 -3.492 1.037 1.00 . A B . 6 GLU OE1 1 1 16 12471 1 1 6 GLU OE2 O 8.912 -4.102 0.577 1.00 . A B . 6 GLU OE2 1 1 16 12472 1 1 7 VAL C C 3.101 -7.288 -0.815 1.00 . A B . 7 VAL C 1 1 16 12473 1 1 7 VAL CA C 3.336 -6.874 -2.262 1.00 . A B . 7 VAL CA 1 1 16 12474 1 1 7 VAL CB C 2.926 -8.019 -3.267 1.00 . A B . 7 VAL CB 1 1 16 12475 1 1 7 VAL CG1 C 3.717 -9.296 -3.047 1.00 . A B . 7 VAL CG1 1 1 16 12476 1 1 7 VAL CG2 C 1.433 -8.304 -3.228 1.00 . A B . 7 VAL CG2 1 1 16 12477 1 1 7 VAL H H 5.392 -7.002 -1.875 1.00 . A B . 7 VAL H 1 1 16 12478 1 1 7 VAL HA H 2.747 -5.991 -2.460 1.00 . A B . 7 VAL HA 1 1 16 12479 1 1 7 VAL HB H 3.173 -7.668 -4.258 1.00 . A B . 7 VAL HB 1 1 16 12480 1 1 7 VAL HG11 H 3.580 -9.636 -2.031 1.00 . A B . 7 VAL HG11 1 1 16 12481 1 1 7 VAL HG12 H 4.764 -9.107 -3.231 1.00 . A B . 7 VAL HG12 1 1 16 12482 1 1 7 VAL HG13 H 3.365 -10.056 -3.729 1.00 . A B . 7 VAL HG13 1 1 16 12483 1 1 7 VAL HG21 H 1.152 -8.615 -2.233 1.00 . A B . 7 VAL HG21 1 1 16 12484 1 1 7 VAL HG22 H 1.199 -9.091 -3.931 1.00 . A B . 7 VAL HG22 1 1 16 12485 1 1 7 VAL HG23 H 0.888 -7.410 -3.492 1.00 . A B . 7 VAL HG23 1 1 16 12486 1 1 7 VAL N N 4.724 -6.518 -2.403 1.00 . A B . 7 VAL N 1 1 16 12487 1 1 7 VAL O O 3.967 -7.916 -0.202 1.00 . A B . 7 VAL O 1 1 16 12488 1 1 8 ILE C C 0.171 -7.466 1.213 1.00 . A B . 8 ILE C 1 1 16 12489 1 1 8 ILE CA C 1.657 -7.182 1.131 1.00 . A B . 8 ILE CA 1 1 16 12490 1 1 8 ILE CB C 2.007 -6.018 2.155 1.00 . A B . 8 ILE CB 1 1 16 12491 1 1 8 ILE CD1 C 1.245 -4.016 0.671 1.00 . A B . 8 ILE CD1 1 1 16 12492 1 1 8 ILE CG1 C 1.116 -4.746 1.985 1.00 . A B . 8 ILE CG1 1 1 16 12493 1 1 8 ILE CG2 C 3.490 -5.650 2.127 1.00 . A B . 8 ILE CG2 1 1 16 12494 1 1 8 ILE H H 1.341 -6.367 -0.788 1.00 . A B . 8 ILE H 1 1 16 12495 1 1 8 ILE HA H 2.197 -8.075 1.410 1.00 . A B . 8 ILE HA 1 1 16 12496 1 1 8 ILE HB H 1.830 -6.432 3.137 1.00 . A B . 8 ILE HB 1 1 16 12497 1 1 8 ILE HD11 H 0.926 -4.660 -0.136 1.00 . A B . 8 ILE HD11 1 1 16 12498 1 1 8 ILE HD12 H 2.276 -3.734 0.523 1.00 . A B . 8 ILE HD12 1 1 16 12499 1 1 8 ILE HD13 H 0.628 -3.131 0.694 1.00 . A B . 8 ILE HD13 1 1 16 12500 1 1 8 ILE HG12 H 0.079 -5.032 2.082 1.00 . A B . 8 ILE HG12 1 1 16 12501 1 1 8 ILE HG13 H 1.356 -4.051 2.777 1.00 . A B . 8 ILE HG13 1 1 16 12502 1 1 8 ILE HG21 H 3.680 -4.860 2.839 1.00 . A B . 8 ILE HG21 1 1 16 12503 1 1 8 ILE HG22 H 3.755 -5.310 1.137 1.00 . A B . 8 ILE HG22 1 1 16 12504 1 1 8 ILE HG23 H 4.085 -6.515 2.380 1.00 . A B . 8 ILE HG23 1 1 16 12505 1 1 8 ILE N N 1.994 -6.875 -0.253 1.00 . A B . 8 ILE N 1 1 16 12506 1 1 8 ILE O O -0.553 -7.219 0.251 1.00 . A B . 8 ILE O 1 1 16 12507 1 1 9 LYS C C -2.117 -7.543 3.826 1.00 . A B . 9 LYS C 1 1 16 12508 1 1 9 LYS CA C -1.678 -8.243 2.544 1.00 . A B . 9 LYS CA 1 1 16 12509 1 1 9 LYS CB C -1.938 -9.762 2.614 1.00 . A B . 9 LYS CB 1 1 16 12510 1 1 9 LYS CD C -3.561 -11.661 2.885 1.00 . A B . 9 LYS CD 1 1 16 12511 1 1 9 LYS CE C -5.019 -12.068 3.064 1.00 . A B . 9 LYS CE 1 1 16 12512 1 1 9 LYS CG C -3.402 -10.154 2.776 1.00 . A B . 9 LYS CG 1 1 16 12513 1 1 9 LYS H H 0.343 -8.168 3.067 1.00 . A B . 9 LYS H 1 1 16 12514 1 1 9 LYS HA H -2.225 -7.818 1.715 1.00 . A B . 9 LYS HA 1 1 16 12515 1 1 9 LYS HB2 H -1.568 -10.217 1.707 1.00 . A B . 9 LYS HB2 1 1 16 12516 1 1 9 LYS HB3 H -1.384 -10.164 3.450 1.00 . A B . 9 LYS HB3 1 1 16 12517 1 1 9 LYS HD2 H -3.178 -12.121 1.986 1.00 . A B . 9 LYS HD2 1 1 16 12518 1 1 9 LYS HD3 H -2.991 -12.010 3.734 1.00 . A B . 9 LYS HD3 1 1 16 12519 1 1 9 LYS HE2 H -5.581 -11.720 2.210 1.00 . A B . 9 LYS HE2 1 1 16 12520 1 1 9 LYS HE3 H -5.087 -13.145 3.113 1.00 . A B . 9 LYS HE3 1 1 16 12521 1 1 9 LYS HG2 H -3.789 -9.695 3.673 1.00 . A B . 9 LYS HG2 1 1 16 12522 1 1 9 LYS HG3 H -3.958 -9.800 1.919 1.00 . A B . 9 LYS HG3 1 1 16 12523 1 1 9 LYS HZ1 H -6.583 -11.833 4.452 1.00 . A B . 9 LYS HZ1 1 1 16 12524 1 1 9 LYS HZ2 H -5.663 -10.453 4.216 1.00 . A B . 9 LYS HZ2 1 1 16 12525 1 1 9 LYS HZ3 H -5.056 -11.709 5.130 1.00 . A B . 9 LYS HZ3 1 1 16 12526 1 1 9 LYS N N -0.277 -7.973 2.332 1.00 . A B . 9 LYS N 1 1 16 12527 1 1 9 LYS NZ N -5.617 -11.491 4.283 1.00 . A B . 9 LYS NZ 1 1 16 12528 1 1 9 LYS O O -2.033 -8.106 4.923 1.00 . A B . 9 LYS O 1 1 16 12529 1 1 10 LEU C C -4.285 -4.978 4.687 1.00 . A B . 10 LEU C 1 1 16 12530 1 1 10 LEU CA C -2.879 -5.468 4.839 1.00 . A B . 10 LEU CA 1 1 16 12531 1 1 10 LEU CB C -1.943 -4.257 5.020 1.00 . A B . 10 LEU CB 1 1 16 12532 1 1 10 LEU CD1 C 0.189 -5.609 5.355 1.00 . A B . 10 LEU CD1 1 1 16 12533 1 1 10 LEU CD2 C 0.194 -3.182 5.797 1.00 . A B . 10 LEU CD2 1 1 16 12534 1 1 10 LEU CG C -0.644 -4.445 5.838 1.00 . A B . 10 LEU CG 1 1 16 12535 1 1 10 LEU H H -2.531 -5.898 2.800 1.00 . A B . 10 LEU H 1 1 16 12536 1 1 10 LEU HA H -2.828 -6.073 5.731 1.00 . A B . 10 LEU HA 1 1 16 12537 1 1 10 LEU HB2 H -1.698 -3.881 4.043 1.00 . A B . 10 LEU HB2 1 1 16 12538 1 1 10 LEU HB3 H -2.527 -3.491 5.508 1.00 . A B . 10 LEU HB3 1 1 16 12539 1 1 10 LEU HD11 H 1.092 -5.679 5.944 1.00 . A B . 10 LEU HD11 1 1 16 12540 1 1 10 LEU HD12 H 0.442 -5.455 4.317 1.00 . A B . 10 LEU HD12 1 1 16 12541 1 1 10 LEU HD13 H -0.378 -6.524 5.454 1.00 . A B . 10 LEU HD13 1 1 16 12542 1 1 10 LEU HD21 H -0.383 -2.348 6.170 1.00 . A B . 10 LEU HD21 1 1 16 12543 1 1 10 LEU HD22 H 0.482 -2.982 4.775 1.00 . A B . 10 LEU HD22 1 1 16 12544 1 1 10 LEU HD23 H 1.078 -3.309 6.402 1.00 . A B . 10 LEU HD23 1 1 16 12545 1 1 10 LEU HG H -0.944 -4.607 6.863 1.00 . A B . 10 LEU HG 1 1 16 12546 1 1 10 LEU N N -2.485 -6.293 3.698 1.00 . A B . 10 LEU N 1 1 16 12547 1 1 10 LEU O O -4.900 -5.137 3.636 1.00 . A B . 10 LEU O 1 1 16 12548 1 1 11 CYS C C -6.178 -2.598 6.627 1.00 . A B . 11 CYS C 1 1 16 12549 1 1 11 CYS CA C -6.132 -3.833 5.733 1.00 . A B . 11 CYS CA 1 1 16 12550 1 1 11 CYS CB C -7.115 -4.855 6.314 1.00 . A B . 11 CYS CB 1 1 16 12551 1 1 11 CYS H H -4.186 -4.219 6.495 1.00 . A B . 11 CYS H 1 1 16 12552 1 1 11 CYS HA H -6.427 -3.580 4.725 1.00 . A B . 11 CYS HA 1 1 16 12553 1 1 11 CYS HB2 H -6.977 -4.870 7.382 1.00 . A B . 11 CYS HB2 1 1 16 12554 1 1 11 CYS HB3 H -8.107 -4.487 6.096 1.00 . A B . 11 CYS HB3 1 1 16 12555 1 1 11 CYS N N -4.774 -4.352 5.718 1.00 . A B . 11 CYS N 1 1 16 12556 1 1 11 CYS O O -5.253 -2.379 7.418 1.00 . A B . 11 CYS O 1 1 16 12557 1 1 11 CYS SG S -6.998 -6.579 5.690 1.00 . A B . 11 CYS SG 1 1 16 12558 1 1 12 GLY C C -6.364 0.250 7.663 1.00 . A B . 12 GLY C 1 1 16 12559 1 1 12 GLY CA C -7.524 -0.636 7.296 1.00 . A B . 12 GLY CA 1 1 16 12560 1 1 12 GLY H H -7.810 -1.950 5.678 1.00 . A B . 12 GLY H 1 1 16 12561 1 1 12 GLY HA2 H -8.275 -0.014 6.839 1.00 . A B . 12 GLY HA2 1 1 16 12562 1 1 12 GLY HA3 H -7.942 -1.029 8.212 1.00 . A B . 12 GLY HA3 1 1 16 12563 1 1 12 GLY N N -7.215 -1.781 6.441 1.00 . A B . 12 GLY N 1 1 16 12564 1 1 12 GLY O O -5.677 0.810 6.801 1.00 . A B . 12 GLY O 1 1 16 12565 1 1 13 ARG C C -3.738 0.776 9.064 1.00 . A B . 13 ARG C 1 1 16 12566 1 1 13 ARG CA C -5.119 1.164 9.567 1.00 . A B . 13 ARG CA 1 1 16 12567 1 1 13 ARG CB C -5.179 1.008 11.087 1.00 . A B . 13 ARG CB 1 1 16 12568 1 1 13 ARG CD C -4.371 1.705 13.345 1.00 . A B . 13 ARG CD 1 1 16 12569 1 1 13 ARG CG C -4.274 1.944 11.851 1.00 . A B . 13 ARG CG 1 1 16 12570 1 1 13 ARG CZ C -3.496 2.812 15.399 1.00 . A B . 13 ARG CZ 1 1 16 12571 1 1 13 ARG H H -6.761 -0.172 9.526 1.00 . A B . 13 ARG H 1 1 16 12572 1 1 13 ARG HA H -5.306 2.199 9.321 1.00 . A B . 13 ARG HA 1 1 16 12573 1 1 13 ARG HB2 H -6.189 1.189 11.419 1.00 . A B . 13 ARG HB2 1 1 16 12574 1 1 13 ARG HB3 H -4.906 -0.006 11.339 1.00 . A B . 13 ARG HB3 1 1 16 12575 1 1 13 ARG HD2 H -5.412 1.683 13.631 1.00 . A B . 13 ARG HD2 1 1 16 12576 1 1 13 ARG HD3 H -3.910 0.758 13.582 1.00 . A B . 13 ARG HD3 1 1 16 12577 1 1 13 ARG HE H -3.396 3.511 13.519 1.00 . A B . 13 ARG HE 1 1 16 12578 1 1 13 ARG HG2 H -3.254 1.782 11.534 1.00 . A B . 13 ARG HG2 1 1 16 12579 1 1 13 ARG HG3 H -4.562 2.963 11.637 1.00 . A B . 13 ARG HG3 1 1 16 12580 1 1 13 ARG HH11 H -4.197 0.924 15.818 1.00 . A B . 13 ARG HH11 1 1 16 12581 1 1 13 ARG HH12 H -3.660 1.794 17.168 1.00 . A B . 13 ARG HH12 1 1 16 12582 1 1 13 ARG HH21 H -2.702 4.697 15.370 1.00 . A B . 13 ARG HH21 1 1 16 12583 1 1 13 ARG HH22 H -2.803 4.005 16.917 1.00 . A B . 13 ARG HH22 1 1 16 12584 1 1 13 ARG N N -6.153 0.343 8.953 1.00 . A B . 13 ARG N 1 1 16 12585 1 1 13 ARG NE N -3.692 2.760 14.081 1.00 . A B . 13 ARG NE 1 1 16 12586 1 1 13 ARG NH1 N -3.807 1.777 16.175 1.00 . A B . 13 ARG NH1 1 1 16 12587 1 1 13 ARG NH2 N -2.964 3.904 15.931 1.00 . A B . 13 ARG NH2 1 1 16 12588 1 1 13 ARG O O -2.882 1.633 8.869 1.00 . A B . 13 ARG O 1 1 16 12589 1 1 14 GLU C C -2.001 -0.479 6.937 1.00 . A B . 14 GLU C 1 1 16 12590 1 1 14 GLU CA C -2.264 -0.983 8.343 1.00 . A B . 14 GLU CA 1 1 16 12591 1 1 14 GLU CB C -2.202 -2.496 8.393 1.00 . A B . 14 GLU CB 1 1 16 12592 1 1 14 GLU CD C -1.291 -2.514 10.733 1.00 . A B . 14 GLU CD 1 1 16 12593 1 1 14 GLU CG C -2.321 -3.071 9.786 1.00 . A B . 14 GLU CG 1 1 16 12594 1 1 14 GLU H H -4.274 -1.154 8.917 1.00 . A B . 14 GLU H 1 1 16 12595 1 1 14 GLU HA H -1.500 -0.578 8.992 1.00 . A B . 14 GLU HA 1 1 16 12596 1 1 14 GLU HB2 H -3.010 -2.888 7.794 1.00 . A B . 14 GLU HB2 1 1 16 12597 1 1 14 GLU HB3 H -1.265 -2.809 7.962 1.00 . A B . 14 GLU HB3 1 1 16 12598 1 1 14 GLU HG2 H -3.301 -2.839 10.172 1.00 . A B . 14 GLU HG2 1 1 16 12599 1 1 14 GLU HG3 H -2.202 -4.144 9.735 1.00 . A B . 14 GLU HG3 1 1 16 12600 1 1 14 GLU N N -3.539 -0.506 8.812 1.00 . A B . 14 GLU N 1 1 16 12601 1 1 14 GLU O O -0.876 -0.134 6.600 1.00 . A B . 14 GLU O 1 1 16 12602 1 1 14 GLU OE1 O -0.118 -2.965 10.701 1.00 . A B . 14 GLU OE1 1 1 16 12603 1 1 14 GLU OE2 O -1.633 -1.644 11.545 1.00 . A B . 14 GLU OE2 1 1 16 12604 1 1 15 LEU C C -2.531 1.577 4.827 1.00 . A B . 15 LEU C 1 1 16 12605 1 1 15 LEU CA C -2.950 0.130 4.774 1.00 . A B . 15 LEU CA 1 1 16 12606 1 1 15 LEU CB C -4.289 0.051 4.043 1.00 . A B . 15 LEU CB 1 1 16 12607 1 1 15 LEU CD1 C -6.231 -1.239 3.210 1.00 . A B . 15 LEU CD1 1 1 16 12608 1 1 15 LEU CD2 C -3.941 -2.064 2.795 1.00 . A B . 15 LEU CD2 1 1 16 12609 1 1 15 LEU CG C -4.830 -1.331 3.765 1.00 . A B . 15 LEU CG 1 1 16 12610 1 1 15 LEU H H -3.907 -0.739 6.490 1.00 . A B . 15 LEU H 1 1 16 12611 1 1 15 LEU HA H -2.213 -0.439 4.229 1.00 . A B . 15 LEU HA 1 1 16 12612 1 1 15 LEU HB2 H -5.020 0.580 4.635 1.00 . A B . 15 LEU HB2 1 1 16 12613 1 1 15 LEU HB3 H -4.183 0.567 3.100 1.00 . A B . 15 LEU HB3 1 1 16 12614 1 1 15 LEU HD11 H -6.230 -0.648 2.307 1.00 . A B . 15 LEU HD11 1 1 16 12615 1 1 15 LEU HD12 H -6.874 -0.787 3.952 1.00 . A B . 15 LEU HD12 1 1 16 12616 1 1 15 LEU HD13 H -6.591 -2.235 2.996 1.00 . A B . 15 LEU HD13 1 1 16 12617 1 1 15 LEU HD21 H -4.343 -3.061 2.683 1.00 . A B . 15 LEU HD21 1 1 16 12618 1 1 15 LEU HD22 H -2.941 -2.132 3.195 1.00 . A B . 15 LEU HD22 1 1 16 12619 1 1 15 LEU HD23 H -3.933 -1.559 1.841 1.00 . A B . 15 LEU HD23 1 1 16 12620 1 1 15 LEU HG H -4.864 -1.895 4.686 1.00 . A B . 15 LEU HG 1 1 16 12621 1 1 15 LEU N N -3.054 -0.409 6.135 1.00 . A B . 15 LEU N 1 1 16 12622 1 1 15 LEU O O -1.674 1.996 4.074 1.00 . A B . 15 LEU O 1 1 16 12623 1 1 16 VAL C C -1.340 3.853 6.405 1.00 . A B . 16 VAL C 1 1 16 12624 1 1 16 VAL CA C -2.782 3.726 5.947 1.00 . A B . 16 VAL CA 1 1 16 12625 1 1 16 VAL CB C -3.735 4.402 6.977 1.00 . A B . 16 VAL CB 1 1 16 12626 1 1 16 VAL CG1 C -3.417 5.882 7.149 1.00 . A B . 16 VAL CG1 1 1 16 12627 1 1 16 VAL CG2 C -5.188 4.221 6.566 1.00 . A B . 16 VAL CG2 1 1 16 12628 1 1 16 VAL H H -3.763 1.886 6.354 1.00 . A B . 16 VAL H 1 1 16 12629 1 1 16 VAL HA H -2.862 4.227 4.991 1.00 . A B . 16 VAL HA 1 1 16 12630 1 1 16 VAL HB H -3.592 3.916 7.931 1.00 . A B . 16 VAL HB 1 1 16 12631 1 1 16 VAL HG11 H -4.094 6.305 7.876 1.00 . A B . 16 VAL HG11 1 1 16 12632 1 1 16 VAL HG12 H -3.536 6.389 6.203 1.00 . A B . 16 VAL HG12 1 1 16 12633 1 1 16 VAL HG13 H -2.401 5.992 7.496 1.00 . A B . 16 VAL HG13 1 1 16 12634 1 1 16 VAL HG21 H -5.831 4.693 7.294 1.00 . A B . 16 VAL HG21 1 1 16 12635 1 1 16 VAL HG22 H -5.417 3.167 6.512 1.00 . A B . 16 VAL HG22 1 1 16 12636 1 1 16 VAL HG23 H -5.347 4.674 5.599 1.00 . A B . 16 VAL HG23 1 1 16 12637 1 1 16 VAL N N -3.101 2.312 5.768 1.00 . A B . 16 VAL N 1 1 16 12638 1 1 16 VAL O O -0.593 4.677 5.894 1.00 . A B . 16 VAL O 1 1 16 12639 1 1 17 ARG C C 1.397 2.679 6.701 1.00 . A B . 17 ARG C 1 1 16 12640 1 1 17 ARG CA C 0.412 2.929 7.826 1.00 . A B . 17 ARG CA 1 1 16 12641 1 1 17 ARG CB C 0.557 1.871 8.917 1.00 . A B . 17 ARG CB 1 1 16 12642 1 1 17 ARG CD C 0.169 1.212 11.297 1.00 . A B . 17 ARG CD 1 1 16 12643 1 1 17 ARG CG C 0.025 2.306 10.262 1.00 . A B . 17 ARG CG 1 1 16 12644 1 1 17 ARG CZ C -0.371 1.056 13.731 1.00 . A B . 17 ARG CZ 1 1 16 12645 1 1 17 ARG H H -1.636 2.398 7.721 1.00 . A B . 17 ARG H 1 1 16 12646 1 1 17 ARG HA H 0.644 3.892 8.249 1.00 . A B . 17 ARG HA 1 1 16 12647 1 1 17 ARG HB2 H 0.007 0.993 8.608 1.00 . A B . 17 ARG HB2 1 1 16 12648 1 1 17 ARG HB3 H 1.596 1.602 9.027 1.00 . A B . 17 ARG HB3 1 1 16 12649 1 1 17 ARG HD2 H -0.582 0.457 11.119 1.00 . A B . 17 ARG HD2 1 1 16 12650 1 1 17 ARG HD3 H 1.153 0.775 11.206 1.00 . A B . 17 ARG HD3 1 1 16 12651 1 1 17 ARG HE H 0.280 2.687 12.728 1.00 . A B . 17 ARG HE 1 1 16 12652 1 1 17 ARG HG2 H 0.571 3.178 10.594 1.00 . A B . 17 ARG HG2 1 1 16 12653 1 1 17 ARG HG3 H -1.020 2.557 10.157 1.00 . A B . 17 ARG HG3 1 1 16 12654 1 1 17 ARG HH11 H -0.970 -0.670 12.745 1.00 . A B . 17 ARG HH11 1 1 16 12655 1 1 17 ARG HH12 H -1.127 -0.705 14.442 1.00 . A B . 17 ARG HH12 1 1 16 12656 1 1 17 ARG HH21 H 0.011 2.578 15.034 1.00 . A B . 17 ARG HH21 1 1 16 12657 1 1 17 ARG HH22 H -0.576 1.145 15.752 1.00 . A B . 17 ARG HH22 1 1 16 12658 1 1 17 ARG N N -0.956 2.996 7.336 1.00 . A B . 17 ARG N 1 1 16 12659 1 1 17 ARG NE N 0.010 1.744 12.650 1.00 . A B . 17 ARG NE 1 1 16 12660 1 1 17 ARG NH1 N -0.854 -0.183 13.627 1.00 . A B . 17 ARG NH1 1 1 16 12661 1 1 17 ARG NH2 N -0.311 1.636 14.917 1.00 . A B . 17 ARG NH2 1 1 16 12662 1 1 17 ARG O O 2.444 3.328 6.628 1.00 . A B . 17 ARG O 1 1 16 12663 1 1 18 ALA C C 1.926 2.616 3.707 1.00 . A B . 18 ALA C 1 1 16 12664 1 1 18 ALA CA C 1.863 1.442 4.675 1.00 . A B . 18 ALA CA 1 1 16 12665 1 1 18 ALA CB C 1.339 0.193 3.984 1.00 . A B . 18 ALA CB 1 1 16 12666 1 1 18 ALA H H 0.198 1.301 5.985 1.00 . A B . 18 ALA H 1 1 16 12667 1 1 18 ALA HA H 2.860 1.245 5.037 1.00 . A B . 18 ALA HA 1 1 16 12668 1 1 18 ALA HB1 H 1.323 -0.627 4.687 1.00 . A B . 18 ALA HB1 1 1 16 12669 1 1 18 ALA HB2 H 1.977 -0.056 3.150 1.00 . A B . 18 ALA HB2 1 1 16 12670 1 1 18 ALA HB3 H 0.336 0.378 3.628 1.00 . A B . 18 ALA HB3 1 1 16 12671 1 1 18 ALA N N 1.045 1.772 5.824 1.00 . A B . 18 ALA N 1 1 16 12672 1 1 18 ALA O O 3.003 2.986 3.244 1.00 . A B . 18 ALA O 1 1 16 12673 1 1 19 GLN C C 1.485 5.538 3.069 1.00 . A B . 19 GLN C 1 1 16 12674 1 1 19 GLN CA C 0.622 4.368 2.573 1.00 . A B . 19 GLN CA 1 1 16 12675 1 1 19 GLN CB C -0.862 4.752 2.537 1.00 . A B . 19 GLN CB 1 1 16 12676 1 1 19 GLN CD C -3.181 4.054 1.694 1.00 . A B . 19 GLN CD 1 1 16 12677 1 1 19 GLN CG C -1.677 3.865 1.611 1.00 . A B . 19 GLN CG 1 1 16 12678 1 1 19 GLN H H -0.045 2.821 3.841 1.00 . A B . 19 GLN H 1 1 16 12679 1 1 19 GLN HA H 0.927 4.075 1.574 1.00 . A B . 19 GLN HA 1 1 16 12680 1 1 19 GLN HB2 H -1.227 4.590 3.541 1.00 . A B . 19 GLN HB2 1 1 16 12681 1 1 19 GLN HB3 H -1.005 5.793 2.307 1.00 . A B . 19 GLN HB3 1 1 16 12682 1 1 19 GLN HE21 H -3.354 3.452 -0.174 1.00 . A B . 19 GLN HE21 1 1 16 12683 1 1 19 GLN HE22 H -4.833 3.856 0.611 1.00 . A B . 19 GLN HE22 1 1 16 12684 1 1 19 GLN HG2 H -1.379 4.089 0.597 1.00 . A B . 19 GLN HG2 1 1 16 12685 1 1 19 GLN HG3 H -1.440 2.835 1.836 1.00 . A B . 19 GLN HG3 1 1 16 12686 1 1 19 GLN N N 0.770 3.198 3.435 1.00 . A B . 19 GLN N 1 1 16 12687 1 1 19 GLN NE2 N -3.857 3.766 0.606 1.00 . A B . 19 GLN NE2 1 1 16 12688 1 1 19 GLN O O 2.334 6.053 2.338 1.00 . A B . 19 GLN O 1 1 16 12689 1 1 19 GLN OE1 O -3.737 4.413 2.735 1.00 . A B . 19 GLN OE1 1 1 16 12690 1 1 20 ILE C C 3.551 6.670 4.980 1.00 . A B . 20 ILE C 1 1 16 12691 1 1 20 ILE CA C 2.042 6.991 4.964 1.00 . A B . 20 ILE CA 1 1 16 12692 1 1 20 ILE CB C 1.518 7.271 6.417 1.00 . A B . 20 ILE CB 1 1 16 12693 1 1 20 ILE CD1 C -0.229 8.993 5.600 1.00 . A B . 20 ILE CD1 1 1 16 12694 1 1 20 ILE CG1 C 0.040 7.723 6.393 1.00 . A B . 20 ILE CG1 1 1 16 12695 1 1 20 ILE CG2 C 2.381 8.304 7.153 1.00 . A B . 20 ILE CG2 1 1 16 12696 1 1 20 ILE H H 0.564 5.457 4.812 1.00 . A B . 20 ILE H 1 1 16 12697 1 1 20 ILE HA H 1.904 7.881 4.367 1.00 . A B . 20 ILE HA 1 1 16 12698 1 1 20 ILE HB H 1.581 6.345 6.967 1.00 . A B . 20 ILE HB 1 1 16 12699 1 1 20 ILE HD11 H 0.032 8.841 4.563 1.00 . A B . 20 ILE HD11 1 1 16 12700 1 1 20 ILE HD12 H 0.358 9.802 6.008 1.00 . A B . 20 ILE HD12 1 1 16 12701 1 1 20 ILE HD13 H -1.278 9.242 5.671 1.00 . A B . 20 ILE HD13 1 1 16 12702 1 1 20 ILE HG12 H -0.557 6.937 5.954 1.00 . A B . 20 ILE HG12 1 1 16 12703 1 1 20 ILE HG13 H -0.291 7.886 7.407 1.00 . A B . 20 ILE HG13 1 1 16 12704 1 1 20 ILE HG21 H 2.369 9.234 6.607 1.00 . A B . 20 ILE HG21 1 1 16 12705 1 1 20 ILE HG22 H 3.395 7.940 7.223 1.00 . A B . 20 ILE HG22 1 1 16 12706 1 1 20 ILE HG23 H 1.986 8.461 8.145 1.00 . A B . 20 ILE HG23 1 1 16 12707 1 1 20 ILE N N 1.281 5.915 4.316 1.00 . A B . 20 ILE N 1 1 16 12708 1 1 20 ILE O O 4.391 7.571 4.833 1.00 . A B . 20 ILE O 1 1 16 12709 1 1 21 ALA C C 5.902 5.252 3.738 1.00 . A B . 21 ALA C 1 1 16 12710 1 1 21 ALA CA C 5.283 4.953 5.093 1.00 . A B . 21 ALA CA 1 1 16 12711 1 1 21 ALA CB C 5.391 3.471 5.409 1.00 . A B . 21 ALA CB 1 1 16 12712 1 1 21 ALA H H 3.184 4.720 5.255 1.00 . A B . 21 ALA H 1 1 16 12713 1 1 21 ALA HA H 5.823 5.510 5.844 1.00 . A B . 21 ALA HA 1 1 16 12714 1 1 21 ALA HB1 H 6.428 3.167 5.386 1.00 . A B . 21 ALA HB1 1 1 16 12715 1 1 21 ALA HB2 H 4.831 2.909 4.677 1.00 . A B . 21 ALA HB2 1 1 16 12716 1 1 21 ALA HB3 H 4.983 3.282 6.392 1.00 . A B . 21 ALA HB3 1 1 16 12717 1 1 21 ALA N N 3.889 5.390 5.120 1.00 . A B . 21 ALA N 1 1 16 12718 1 1 21 ALA O O 7.041 5.704 3.650 1.00 . A B . 21 ALA O 1 1 16 12719 1 1 22 ILE C C 5.718 6.793 1.097 1.00 . A B . 22 ILE C 1 1 16 12720 1 1 22 ILE CA C 5.561 5.297 1.327 1.00 . A B . 22 ILE CA 1 1 16 12721 1 1 22 ILE CB C 4.565 4.735 0.287 1.00 . A B . 22 ILE CB 1 1 16 12722 1 1 22 ILE CD1 C 3.228 2.655 -0.300 1.00 . A B . 22 ILE CD1 1 1 16 12723 1 1 22 ILE CG1 C 4.332 3.252 0.528 1.00 . A B . 22 ILE CG1 1 1 16 12724 1 1 22 ILE CG2 C 5.114 4.948 -1.116 1.00 . A B . 22 ILE CG2 1 1 16 12725 1 1 22 ILE H H 4.204 4.729 2.846 1.00 . A B . 22 ILE H 1 1 16 12726 1 1 22 ILE HA H 6.520 4.817 1.192 1.00 . A B . 22 ILE HA 1 1 16 12727 1 1 22 ILE HB H 3.628 5.263 0.380 1.00 . A B . 22 ILE HB 1 1 16 12728 1 1 22 ILE HD11 H 2.308 3.183 -0.099 1.00 . A B . 22 ILE HD11 1 1 16 12729 1 1 22 ILE HD12 H 3.108 1.611 -0.049 1.00 . A B . 22 ILE HD12 1 1 16 12730 1 1 22 ILE HD13 H 3.475 2.746 -1.347 1.00 . A B . 22 ILE HD13 1 1 16 12731 1 1 22 ILE HG12 H 5.238 2.723 0.279 1.00 . A B . 22 ILE HG12 1 1 16 12732 1 1 22 ILE HG13 H 4.097 3.095 1.570 1.00 . A B . 22 ILE HG13 1 1 16 12733 1 1 22 ILE HG21 H 6.054 4.425 -1.218 1.00 . A B . 22 ILE HG21 1 1 16 12734 1 1 22 ILE HG22 H 5.272 6.003 -1.281 1.00 . A B . 22 ILE HG22 1 1 16 12735 1 1 22 ILE HG23 H 4.409 4.569 -1.839 1.00 . A B . 22 ILE HG23 1 1 16 12736 1 1 22 ILE N N 5.119 5.051 2.692 1.00 . A B . 22 ILE N 1 1 16 12737 1 1 22 ILE O O 6.644 7.231 0.451 1.00 . A B . 22 ILE O 1 1 16 12738 1 1 23 CYS C C 6.038 9.637 2.338 1.00 . A B . 23 CYS C 1 1 16 12739 1 1 23 CYS CA C 4.922 9.022 1.508 1.00 . A B . 23 CYS CA 1 1 16 12740 1 1 23 CYS CB C 3.602 9.679 1.823 1.00 . A B . 23 CYS CB 1 1 16 12741 1 1 23 CYS H H 4.089 7.166 2.162 1.00 . A B . 23 CYS H 1 1 16 12742 1 1 23 CYS HA H 5.151 9.204 0.469 1.00 . A B . 23 CYS HA 1 1 16 12743 1 1 23 CYS HB2 H 3.143 9.137 2.638 1.00 . A B . 23 CYS HB2 1 1 16 12744 1 1 23 CYS HB3 H 3.809 10.688 2.137 1.00 . A B . 23 CYS HB3 1 1 16 12745 1 1 23 CYS N N 4.837 7.574 1.668 1.00 . A B . 23 CYS N 1 1 16 12746 1 1 23 CYS O O 6.541 10.728 2.027 1.00 . A B . 23 CYS O 1 1 16 12747 1 1 23 CYS SG S 2.443 9.691 0.424 1.00 . A B . 23 CYS SG 1 1 16 12748 1 1 24 GLY C C 8.864 8.927 3.506 1.00 . A B . 24 GLY C 1 1 16 12749 1 1 24 GLY CA C 7.557 9.378 4.143 1.00 . A B . 24 GLY CA 1 1 16 12750 1 1 24 GLY H H 5.881 8.174 3.612 1.00 . A B . 24 GLY H 1 1 16 12751 1 1 24 GLY HA2 H 7.548 10.455 4.214 1.00 . A B . 24 GLY HA2 1 1 16 12752 1 1 24 GLY HA3 H 7.487 8.955 5.133 1.00 . A B . 24 GLY HA3 1 1 16 12753 1 1 24 GLY N N 6.427 8.952 3.365 1.00 . A B . 24 GLY N 1 1 16 12754 1 1 24 GLY O O 9.844 9.687 3.447 1.00 . A B . 24 GLY O 1 1 16 12755 1 1 25 MET C C 9.700 6.677 0.985 1.00 . A B . 25 MET C 1 1 16 12756 1 1 25 MET CA C 10.027 7.108 2.391 1.00 . A B . 25 MET CA 1 1 16 12757 1 1 25 MET CB C 10.508 5.896 3.215 1.00 . A B . 25 MET CB 1 1 16 12758 1 1 25 MET CE C 12.757 4.124 4.635 1.00 . A B . 25 MET CE 1 1 16 12759 1 1 25 MET CG C 10.938 6.227 4.636 1.00 . A B . 25 MET CG 1 1 16 12760 1 1 25 MET H H 8.031 7.205 2.924 1.00 . A B . 25 MET H 1 1 16 12761 1 1 25 MET HA H 10.812 7.848 2.356 1.00 . A B . 25 MET HA 1 1 16 12762 1 1 25 MET HB2 H 9.707 5.174 3.268 1.00 . A B . 25 MET HB2 1 1 16 12763 1 1 25 MET HB3 H 11.345 5.448 2.702 1.00 . A B . 25 MET HB3 1 1 16 12764 1 1 25 MET HE1 H 13.176 3.267 5.141 1.00 . A B . 25 MET HE1 1 1 16 12765 1 1 25 MET HE2 H 13.519 4.882 4.533 1.00 . A B . 25 MET HE2 1 1 16 12766 1 1 25 MET HE3 H 12.406 3.827 3.658 1.00 . A B . 25 MET HE3 1 1 16 12767 1 1 25 MET HG2 H 11.792 6.885 4.594 1.00 . A B . 25 MET HG2 1 1 16 12768 1 1 25 MET HG3 H 10.122 6.731 5.133 1.00 . A B . 25 MET HG3 1 1 16 12769 1 1 25 MET N N 8.861 7.723 2.978 1.00 . A B . 25 MET N 1 1 16 12770 1 1 25 MET O O 9.488 5.507 0.704 1.00 . A B . 25 MET O 1 1 16 12771 1 1 25 MET SD S 11.392 4.764 5.603 1.00 . A B . 25 MET SD 1 1 16 12772 1 1 26 SER C C 10.533 7.055 -2.078 1.00 . A B . 26 SER C 1 1 16 12773 1 1 26 SER CA C 9.277 7.425 -1.287 1.00 . A B . 26 SER CA 1 1 16 12774 1 1 26 SER CB C 8.662 8.691 -1.867 1.00 . A B . 26 SER CB 1 1 16 12775 1 1 26 SER H H 9.645 8.564 0.471 1.00 . A B . 26 SER H 1 1 16 12776 1 1 26 SER HA H 8.567 6.621 -1.357 1.00 . A B . 26 SER HA 1 1 16 12777 1 1 26 SER HB2 H 9.421 9.455 -1.944 1.00 . A B . 26 SER HB2 1 1 16 12778 1 1 26 SER HB3 H 8.262 8.480 -2.848 1.00 . A B . 26 SER HB3 1 1 16 12779 1 1 26 SER HG H 7.237 8.397 -0.585 1.00 . A B . 26 SER HG 1 1 16 12780 1 1 26 SER N N 9.581 7.648 0.128 1.00 . A B . 26 SER N 1 1 16 12781 1 1 26 SER O O 10.511 6.957 -3.307 1.00 . A B . 26 SER O 1 1 16 12782 1 1 26 SER OG O 7.609 9.173 -1.037 1.00 . A B . 26 SER OG 1 1 16 12783 1 1 27 THR C C 13.495 5.455 -1.130 1.00 . A B . 27 THR C 1 1 16 12784 1 1 27 THR CA C 12.848 6.554 -1.933 1.00 . A B . 27 THR CA 1 1 16 12785 1 1 27 THR CB C 13.739 7.817 -1.946 1.00 . A B . 27 THR CB 1 1 16 12786 1 1 27 THR CG2 C 13.301 8.803 -3.023 1.00 . A B . 27 THR CG2 1 1 16 12787 1 1 27 THR H H 11.519 6.775 -0.407 1.00 . A B . 27 THR H 1 1 16 12788 1 1 27 THR HA H 12.697 6.223 -2.950 1.00 . A B . 27 THR HA 1 1 16 12789 1 1 27 THR HB H 14.747 7.492 -2.150 1.00 . A B . 27 THR HB 1 1 16 12790 1 1 27 THR HG1 H 14.380 8.032 -0.108 1.00 . A B . 27 THR HG1 1 1 16 12791 1 1 27 THR HG21 H 13.948 9.667 -3.005 1.00 . A B . 27 THR HG21 1 1 16 12792 1 1 27 THR HG22 H 12.283 9.111 -2.834 1.00 . A B . 27 THR HG22 1 1 16 12793 1 1 27 THR HG23 H 13.358 8.329 -3.992 1.00 . A B . 27 THR HG23 1 1 16 12794 1 1 27 THR N N 11.588 6.827 -1.378 1.00 . A B . 27 THR N 1 1 16 12795 1 1 27 THR O O 13.363 5.409 0.107 1.00 . A B . 27 THR O 1 1 16 12796 1 1 27 THR OG1 O 13.707 8.463 -0.652 1.00 . A B . 27 THR OG1 1 1 16 12797 1 1 28 TRP C C 15.943 3.866 -0.326 1.00 . A B . 28 TRP C 1 1 16 12798 1 1 28 TRP CA C 14.786 3.432 -1.213 1.00 . A B . 28 TRP CA 1 1 16 12799 1 1 28 TRP CB C 15.265 2.456 -2.293 1.00 . A B . 28 TRP CB 1 1 16 12800 1 1 28 TRP CD1 C 14.814 0.087 -1.487 1.00 . A B . 28 TRP CD1 1 1 16 12801 1 1 28 TRP CD2 C 16.961 0.683 -1.380 1.00 . A B . 28 TRP CD2 1 1 16 12802 1 1 28 TRP CE2 C 16.838 -0.631 -0.903 1.00 . A B . 28 TRP CE2 1 1 16 12803 1 1 28 TRP CE3 C 18.221 1.273 -1.408 1.00 . A B . 28 TRP CE3 1 1 16 12804 1 1 28 TRP CG C 15.651 1.124 -1.745 1.00 . A B . 28 TRP CG 1 1 16 12805 1 1 28 TRP CH2 C 19.150 -0.763 -0.498 1.00 . A B . 28 TRP CH2 1 1 16 12806 1 1 28 TRP CZ2 C 17.929 -1.367 -0.458 1.00 . A B . 28 TRP CZ2 1 1 16 12807 1 1 28 TRP CZ3 C 19.300 0.545 -0.968 1.00 . A B . 28 TRP CZ3 1 1 16 12808 1 1 28 TRP H H 14.173 4.727 -2.783 1.00 . A B . 28 TRP H 1 1 16 12809 1 1 28 TRP HA H 14.053 2.933 -0.597 1.00 . A B . 28 TRP HA 1 1 16 12810 1 1 28 TRP HB2 H 14.484 2.309 -3.023 1.00 . A B . 28 TRP HB2 1 1 16 12811 1 1 28 TRP HB3 H 16.130 2.878 -2.784 1.00 . A B . 28 TRP HB3 1 1 16 12812 1 1 28 TRP HD1 H 13.748 0.121 -1.662 1.00 . A B . 28 TRP HD1 1 1 16 12813 1 1 28 TRP HE1 H 15.136 -1.835 -0.705 1.00 . A B . 28 TRP HE1 1 1 16 12814 1 1 28 TRP HE3 H 18.358 2.282 -1.767 1.00 . A B . 28 TRP HE3 1 1 16 12815 1 1 28 TRP HH2 H 20.028 -1.295 -0.162 1.00 . A B . 28 TRP HH2 1 1 16 12816 1 1 28 TRP HZ2 H 17.827 -2.377 -0.094 1.00 . A B . 28 TRP HZ2 1 1 16 12817 1 1 28 TRP HZ3 H 20.282 0.993 -0.985 1.00 . A B . 28 TRP HZ3 1 1 16 12818 1 1 28 TRP N N 14.147 4.578 -1.816 1.00 . A B . 28 TRP N 1 1 16 12819 1 1 28 TRP NE1 N 15.517 -0.971 -0.976 1.00 . A B . 28 TRP NE1 1 1 16 12820 1 1 28 TRP O O 16.869 4.552 -0.780 1.00 . A B . 28 TRP O 1 1 16 12821 1 1 29 SER C C 17.799 2.604 2.129 1.00 . A B . 29 SER C 1 1 16 12822 1 1 29 SER CA C 16.897 3.825 1.873 1.00 . A B . 29 SER CA 1 1 16 12823 1 1 29 SER CB C 16.250 4.324 3.157 1.00 . A B . 29 SER CB 1 1 16 12824 1 1 29 SER H H 15.099 2.976 1.227 1.00 . A B . 29 SER H 1 1 16 12825 1 1 29 SER HA H 17.495 4.618 1.450 1.00 . A B . 29 SER HA 1 1 16 12826 1 1 29 SER HB2 H 15.687 3.523 3.614 1.00 . A B . 29 SER HB2 1 1 16 12827 1 1 29 SER HB3 H 17.016 4.665 3.838 1.00 . A B . 29 SER HB3 1 1 16 12828 1 1 29 SER HG H 15.305 5.495 1.917 1.00 . A B . 29 SER HG 1 1 16 12829 1 1 29 SER N N 15.873 3.499 0.924 1.00 . A B . 29 SER N 1 1 16 12830 1 1 29 SER O O 18.933 2.532 1.622 1.00 . A B . 29 SER O 1 1 16 12831 1 1 29 SER OG O 15.368 5.411 2.878 1.00 . A B . 29 SER OG 1 1 16 12832 1 1 30 NH2 HN1 H 16.413 1.757 3.270 1.00 . A B . 30 NH2 HN1 1 1 16 12833 1 1 30 NH2 HN2 H 17.876 0.869 3.071 1.00 . A B . 30 NH2 HN2 1 1 16 12834 1 1 30 NH2 N N 17.313 1.650 2.897 1.00 . A B . 30 NH2 N 1 1 16 12835 2 2 1 PCA C C -12.518 2.823 -5.676 1.00 . B A . 1 PCA C 1 1 16 12836 2 2 1 PCA CA C -13.810 3.645 -5.640 1.00 . B A . 1 PCA CA 1 1 16 12837 2 2 1 PCA CB C -13.624 4.846 -4.727 1.00 . B A . 1 PCA CB 1 1 16 12838 2 2 1 PCA CD C -15.418 3.451 -3.988 1.00 . B A . 1 PCA CD 1 1 16 12839 2 2 1 PCA CG C -14.638 4.699 -3.613 1.00 . B A . 1 PCA CG 1 1 16 12840 2 2 1 PCA HA H -14.042 3.959 -6.648 1.00 . B A . 1 PCA HA 1 1 16 12841 2 2 1 PCA HB2 H -12.616 4.842 -4.314 1.00 . B A . 1 PCA HB2 1 1 16 12842 2 2 1 PCA HB3 H -13.798 5.769 -5.280 1.00 . B A . 1 PCA HB3 1 1 16 12843 2 2 1 PCA HG2 H -14.131 4.575 -2.654 1.00 . B A . 1 PCA HG2 1 1 16 12844 2 2 1 PCA HG3 H -15.318 5.549 -3.587 1.00 . B A . 1 PCA HG3 1 1 16 12845 2 2 1 PCA N N -14.921 2.858 -5.078 1.00 . B A . 1 PCA N 1 1 16 12846 2 2 1 PCA O O -12.450 1.727 -5.079 1.00 . B A . 1 PCA O 1 1 16 12847 2 2 1 PCA OE O -16.388 3.052 -3.350 1.00 . B A . 1 PCA OE 1 1 16 12848 2 2 2 LEU C C -9.531 2.534 -5.103 1.00 . B A . 2 LEU C 1 1 16 12849 2 2 2 LEU CA C -10.209 2.671 -6.457 1.00 . B A . 2 LEU CA 1 1 16 12850 2 2 2 LEU CB C -9.289 3.365 -7.464 1.00 . B A . 2 LEU CB 1 1 16 12851 2 2 2 LEU CD1 C -8.769 4.132 -9.793 1.00 . B A . 2 LEU CD1 1 1 16 12852 2 2 2 LEU CD2 C -9.912 1.942 -9.448 1.00 . B A . 2 LEU CD2 1 1 16 12853 2 2 2 LEU CG C -9.753 3.366 -8.928 1.00 . B A . 2 LEU CG 1 1 16 12854 2 2 2 LEU H H -11.612 4.222 -6.773 1.00 . B A . 2 LEU H 1 1 16 12855 2 2 2 LEU HA H -10.419 1.673 -6.808 1.00 . B A . 2 LEU HA 1 1 16 12856 2 2 2 LEU HB2 H -9.157 4.391 -7.152 1.00 . B A . 2 LEU HB2 1 1 16 12857 2 2 2 LEU HB3 H -8.329 2.873 -7.420 1.00 . B A . 2 LEU HB3 1 1 16 12858 2 2 2 LEU HD11 H -9.112 4.129 -10.817 1.00 . B A . 2 LEU HD11 1 1 16 12859 2 2 2 LEU HD12 H -7.799 3.659 -9.738 1.00 . B A . 2 LEU HD12 1 1 16 12860 2 2 2 LEU HD13 H -8.693 5.150 -9.440 1.00 . B A . 2 LEU HD13 1 1 16 12861 2 2 2 LEU HD21 H -8.973 1.415 -9.359 1.00 . B A . 2 LEU HD21 1 1 16 12862 2 2 2 LEU HD22 H -10.212 1.971 -10.486 1.00 . B A . 2 LEU HD22 1 1 16 12863 2 2 2 LEU HD23 H -10.671 1.428 -8.877 1.00 . B A . 2 LEU HD23 1 1 16 12864 2 2 2 LEU HG H -10.709 3.863 -8.997 1.00 . B A . 2 LEU HG 1 1 16 12865 2 2 2 LEU N N -11.497 3.347 -6.341 1.00 . B A . 2 LEU N 1 1 16 12866 2 2 2 LEU O O -8.838 1.555 -4.852 1.00 . B A . 2 LEU O 1 1 16 12867 2 2 3 TYR C C -9.781 2.180 -2.154 1.00 . B A . 3 TYR C 1 1 16 12868 2 2 3 TYR CA C -9.252 3.422 -2.850 1.00 . B A . 3 TYR CA 1 1 16 12869 2 2 3 TYR CB C -9.619 4.658 -2.030 1.00 . B A . 3 TYR CB 1 1 16 12870 2 2 3 TYR CD1 C -7.475 5.858 -1.495 1.00 . B A . 3 TYR CD1 1 1 16 12871 2 2 3 TYR CD2 C -8.980 6.888 -3.019 1.00 . B A . 3 TYR CD2 1 1 16 12872 2 2 3 TYR CE1 C -6.606 6.918 -1.623 1.00 . B A . 3 TYR CE1 1 1 16 12873 2 2 3 TYR CE2 C -8.116 7.954 -3.156 1.00 . B A . 3 TYR CE2 1 1 16 12874 2 2 3 TYR CG C -8.675 5.824 -2.193 1.00 . B A . 3 TYR CG 1 1 16 12875 2 2 3 TYR CZ C -6.929 7.963 -2.456 1.00 . B A . 3 TYR CZ 1 1 16 12876 2 2 3 TYR H H -10.231 4.303 -4.544 1.00 . B A . 3 TYR H 1 1 16 12877 2 2 3 TYR HA H -8.176 3.346 -2.903 1.00 . B A . 3 TYR HA 1 1 16 12878 2 2 3 TYR HB2 H -10.600 4.988 -2.339 1.00 . B A . 3 TYR HB2 1 1 16 12879 2 2 3 TYR HB3 H -9.660 4.381 -0.989 1.00 . B A . 3 TYR HB3 1 1 16 12880 2 2 3 TYR HD1 H -7.223 5.033 -0.845 1.00 . B A . 3 TYR HD1 1 1 16 12881 2 2 3 TYR HD2 H -9.912 6.879 -3.563 1.00 . B A . 3 TYR HD2 1 1 16 12882 2 2 3 TYR HE1 H -5.677 6.926 -1.071 1.00 . B A . 3 TYR HE1 1 1 16 12883 2 2 3 TYR HE2 H -8.368 8.775 -3.808 1.00 . B A . 3 TYR HE2 1 1 16 12884 2 2 3 TYR HH H -6.576 9.834 -2.461 1.00 . B A . 3 TYR HH 1 1 16 12885 2 2 3 TYR N N -9.749 3.507 -4.228 1.00 . B A . 3 TYR N 1 1 16 12886 2 2 3 TYR O O -9.018 1.418 -1.547 1.00 . B A . 3 TYR O 1 1 16 12887 2 2 3 TYR OH O -6.064 9.025 -2.590 1.00 . B A . 3 TYR OH 1 1 16 12888 2 2 4 SER C C -11.325 -0.450 -2.391 1.00 . B A . 4 SER C 1 1 16 12889 2 2 4 SER CA C -11.720 0.831 -1.663 1.00 . B A . 4 SER CA 1 1 16 12890 2 2 4 SER CB C -13.245 1.008 -1.654 1.00 . B A . 4 SER CB 1 1 16 12891 2 2 4 SER H H -11.610 2.614 -2.776 1.00 . B A . 4 SER H 1 1 16 12892 2 2 4 SER HA H -11.369 0.767 -0.644 1.00 . B A . 4 SER HA 1 1 16 12893 2 2 4 SER HB2 H -13.495 1.978 -1.250 1.00 . B A . 4 SER HB2 1 1 16 12894 2 2 4 SER HB3 H -13.614 0.941 -2.666 1.00 . B A . 4 SER HB3 1 1 16 12895 2 2 4 SER HG H -14.689 -0.283 -1.302 1.00 . B A . 4 SER HG 1 1 16 12896 2 2 4 SER N N -11.076 1.967 -2.273 1.00 . B A . 4 SER N 1 1 16 12897 2 2 4 SER O O -11.203 -1.507 -1.771 1.00 . B A . 4 SER O 1 1 16 12898 2 2 4 SER OG O -13.875 0.003 -0.868 1.00 . B A . 4 SER OG 1 1 16 12899 2 2 5 ALA C C -9.328 -1.958 -3.987 1.00 . B A . 5 ALA C 1 1 16 12900 2 2 5 ALA CA C -10.675 -1.482 -4.495 1.00 . B A . 5 ALA CA 1 1 16 12901 2 2 5 ALA CB C -10.593 -1.107 -5.969 1.00 . B A . 5 ALA CB 1 1 16 12902 2 2 5 ALA H H -11.276 0.510 -4.145 1.00 . B A . 5 ALA H 1 1 16 12903 2 2 5 ALA HA H -11.398 -2.276 -4.371 1.00 . B A . 5 ALA HA 1 1 16 12904 2 2 5 ALA HB1 H -10.292 -1.968 -6.547 1.00 . B A . 5 ALA HB1 1 1 16 12905 2 2 5 ALA HB2 H -9.863 -0.321 -6.094 1.00 . B A . 5 ALA HB2 1 1 16 12906 2 2 5 ALA HB3 H -11.559 -0.760 -6.309 1.00 . B A . 5 ALA HB3 1 1 16 12907 2 2 5 ALA N N -11.114 -0.350 -3.699 1.00 . B A . 5 ALA N 1 1 16 12908 2 2 5 ALA O O -9.152 -3.131 -3.696 1.00 . B A . 5 ALA O 1 1 16 12909 2 2 6 LEU C C -7.186 -1.891 -1.906 1.00 . B A . 6 LEU C 1 1 16 12910 2 2 6 LEU CA C -7.074 -1.278 -3.296 1.00 . B A . 6 LEU CA 1 1 16 12911 2 2 6 LEU CB C -6.271 0.035 -3.221 1.00 . B A . 6 LEU CB 1 1 16 12912 2 2 6 LEU CD1 C -3.944 -0.908 -3.403 1.00 . B A . 6 LEU CD1 1 1 16 12913 2 2 6 LEU CD2 C -4.293 1.351 -2.392 1.00 . B A . 6 LEU CD2 1 1 16 12914 2 2 6 LEU CG C -4.875 -0.041 -2.582 1.00 . B A . 6 LEU CG 1 1 16 12915 2 2 6 LEU H H -8.621 -0.095 -4.112 1.00 . B A . 6 LEU H 1 1 16 12916 2 2 6 LEU HA H -6.560 -1.974 -3.944 1.00 . B A . 6 LEU HA 1 1 16 12917 2 2 6 LEU HB2 H -6.156 0.412 -4.227 1.00 . B A . 6 LEU HB2 1 1 16 12918 2 2 6 LEU HB3 H -6.858 0.747 -2.661 1.00 . B A . 6 LEU HB3 1 1 16 12919 2 2 6 LEU HD11 H -2.972 -0.935 -2.932 1.00 . B A . 6 LEU HD11 1 1 16 12920 2 2 6 LEU HD12 H -3.851 -0.497 -4.397 1.00 . B A . 6 LEU HD12 1 1 16 12921 2 2 6 LEU HD13 H -4.341 -1.910 -3.460 1.00 . B A . 6 LEU HD13 1 1 16 12922 2 2 6 LEU HD21 H -3.317 1.274 -1.936 1.00 . B A . 6 LEU HD21 1 1 16 12923 2 2 6 LEU HD22 H -4.942 1.931 -1.751 1.00 . B A . 6 LEU HD22 1 1 16 12924 2 2 6 LEU HD23 H -4.204 1.839 -3.350 1.00 . B A . 6 LEU HD23 1 1 16 12925 2 2 6 LEU HG H -4.971 -0.501 -1.609 1.00 . B A . 6 LEU HG 1 1 16 12926 2 2 6 LEU N N -8.403 -1.014 -3.835 1.00 . B A . 6 LEU N 1 1 16 12927 2 2 6 LEU O O -6.546 -2.905 -1.615 1.00 . B A . 6 LEU O 1 1 16 12928 2 2 7 ALA C C -8.715 -3.178 0.329 1.00 . B A . 7 ALA C 1 1 16 12929 2 2 7 ALA CA C -8.231 -1.733 0.287 1.00 . B A . 7 ALA CA 1 1 16 12930 2 2 7 ALA CB C -9.210 -0.816 0.999 1.00 . B A . 7 ALA CB 1 1 16 12931 2 2 7 ALA H H -8.507 -0.492 -1.395 1.00 . B A . 7 ALA H 1 1 16 12932 2 2 7 ALA HA H -7.282 -1.676 0.799 1.00 . B A . 7 ALA HA 1 1 16 12933 2 2 7 ALA HB1 H -9.283 -1.111 2.035 1.00 . B A . 7 ALA HB1 1 1 16 12934 2 2 7 ALA HB2 H -10.181 -0.897 0.532 1.00 . B A . 7 ALA HB2 1 1 16 12935 2 2 7 ALA HB3 H -8.863 0.205 0.936 1.00 . B A . 7 ALA HB3 1 1 16 12936 2 2 7 ALA N N -8.020 -1.283 -1.074 1.00 . B A . 7 ALA N 1 1 16 12937 2 2 7 ALA O O -8.101 -4.027 0.978 1.00 . B A . 7 ALA O 1 1 16 12938 2 2 8 ASN C C -9.373 -5.796 -1.035 1.00 . B A . 8 ASN C 1 1 16 12939 2 2 8 ASN CA C -10.346 -4.806 -0.438 1.00 . B A . 8 ASN CA 1 1 16 12940 2 2 8 ASN CB C -11.704 -4.867 -1.157 1.00 . B A . 8 ASN CB 1 1 16 12941 2 2 8 ASN CG C -12.861 -4.283 -0.347 1.00 . B A . 8 ASN CG 1 1 16 12942 2 2 8 ASN H H -10.185 -2.741 -0.936 1.00 . B A . 8 ASN H 1 1 16 12943 2 2 8 ASN HA H -10.490 -5.092 0.594 1.00 . B A . 8 ASN HA 1 1 16 12944 2 2 8 ASN HB2 H -11.635 -4.318 -2.084 1.00 . B A . 8 ASN HB2 1 1 16 12945 2 2 8 ASN HB3 H -11.930 -5.901 -1.377 1.00 . B A . 8 ASN HB3 1 1 16 12946 2 2 8 ASN HD21 H -12.590 -2.505 -1.154 1.00 . B A . 8 ASN HD21 1 1 16 12947 2 2 8 ASN HD22 H -13.902 -2.612 -0.046 1.00 . B A . 8 ASN HD22 1 1 16 12948 2 2 8 ASN N N -9.780 -3.461 -0.403 1.00 . B A . 8 ASN N 1 1 16 12949 2 2 8 ASN ND2 N -13.142 -3.018 -0.520 1.00 . B A . 8 ASN ND2 1 1 16 12950 2 2 8 ASN O O -9.175 -6.868 -0.479 1.00 . B A . 8 ASN O 1 1 16 12951 2 2 8 ASN OD1 O -13.508 -4.989 0.439 1.00 . B A . 8 ASN OD1 1 1 16 12952 2 2 9 LYS C C -6.635 -6.648 -1.846 1.00 . B A . 9 LYS C 1 1 16 12953 2 2 9 LYS CA C -7.724 -6.267 -2.785 1.00 . B A . 9 LYS CA 1 1 16 12954 2 2 9 LYS CB C -7.083 -5.595 -4.003 1.00 . B A . 9 LYS CB 1 1 16 12955 2 2 9 LYS CD C -7.135 -4.888 -6.374 1.00 . B A . 9 LYS CD 1 1 16 12956 2 2 9 LYS CE C -7.924 -4.837 -7.664 1.00 . B A . 9 LYS CE 1 1 16 12957 2 2 9 LYS CG C -7.919 -5.541 -5.252 1.00 . B A . 9 LYS CG 1 1 16 12958 2 2 9 LYS H H -8.922 -4.534 -2.526 1.00 . B A . 9 LYS H 1 1 16 12959 2 2 9 LYS HA H -8.200 -7.180 -3.099 1.00 . B A . 9 LYS HA 1 1 16 12960 2 2 9 LYS HB2 H -6.875 -4.572 -3.725 1.00 . B A . 9 LYS HB2 1 1 16 12961 2 2 9 LYS HB3 H -6.139 -6.063 -4.233 1.00 . B A . 9 LYS HB3 1 1 16 12962 2 2 9 LYS HD2 H -6.882 -3.880 -6.082 1.00 . B A . 9 LYS HD2 1 1 16 12963 2 2 9 LYS HD3 H -6.228 -5.452 -6.536 1.00 . B A . 9 LYS HD3 1 1 16 12964 2 2 9 LYS HE2 H -8.821 -4.259 -7.502 1.00 . B A . 9 LYS HE2 1 1 16 12965 2 2 9 LYS HE3 H -7.299 -4.348 -8.396 1.00 . B A . 9 LYS HE3 1 1 16 12966 2 2 9 LYS HG2 H -8.174 -6.549 -5.539 1.00 . B A . 9 LYS HG2 1 1 16 12967 2 2 9 LYS HG3 H -8.814 -4.967 -5.061 1.00 . B A . 9 LYS HG3 1 1 16 12968 2 2 9 LYS HZ1 H -8.871 -6.699 -7.465 1.00 . B A . 9 LYS HZ1 1 1 16 12969 2 2 9 LYS HZ2 H -7.436 -6.757 -8.334 1.00 . B A . 9 LYS HZ2 1 1 16 12970 2 2 9 LYS HZ3 H -8.823 -6.126 -9.046 1.00 . B A . 9 LYS HZ3 1 1 16 12971 2 2 9 LYS N N -8.723 -5.414 -2.133 1.00 . B A . 9 LYS N 1 1 16 12972 2 2 9 LYS NZ N -8.288 -6.186 -8.158 1.00 . B A . 9 LYS NZ 1 1 16 12973 2 2 9 LYS O O -6.320 -7.816 -1.710 1.00 . B A . 9 LYS O 1 1 16 12974 2 2 10 CYS C C -5.374 -6.696 0.886 1.00 . B A . 10 CYS C 1 1 16 12975 2 2 10 CYS CA C -4.959 -5.893 -0.321 1.00 . B A . 10 CYS CA 1 1 16 12976 2 2 10 CYS CB C -4.394 -4.559 0.113 1.00 . B A . 10 CYS CB 1 1 16 12977 2 2 10 CYS H H -6.440 -4.763 -1.285 1.00 . B A . 10 CYS H 1 1 16 12978 2 2 10 CYS HA H -4.194 -6.447 -0.852 1.00 . B A . 10 CYS HA 1 1 16 12979 2 2 10 CYS HB2 H -4.507 -3.837 -0.681 1.00 . B A . 10 CYS HB2 1 1 16 12980 2 2 10 CYS HB3 H -4.959 -4.220 0.968 1.00 . B A . 10 CYS HB3 1 1 16 12981 2 2 10 CYS N N -6.086 -5.677 -1.187 1.00 . B A . 10 CYS N 1 1 16 12982 2 2 10 CYS O O -4.603 -7.492 1.406 1.00 . B A . 10 CYS O 1 1 16 12983 2 2 10 CYS SG S -2.655 -4.612 0.593 1.00 . B A . 10 CYS SG 1 1 16 12984 2 2 11 CYS C C -7.406 -8.650 2.126 1.00 . B A . 11 CYS C 1 1 16 12985 2 2 11 CYS CA C -7.093 -7.191 2.450 1.00 . B A . 11 CYS CA 1 1 16 12986 2 2 11 CYS CB C -8.330 -6.467 2.994 1.00 . B A . 11 CYS CB 1 1 16 12987 2 2 11 CYS H H -7.192 -5.904 0.813 1.00 . B A . 11 CYS H 1 1 16 12988 2 2 11 CYS HA H -6.317 -7.160 3.201 1.00 . B A . 11 CYS HA 1 1 16 12989 2 2 11 CYS HB2 H -8.164 -5.402 2.941 1.00 . B A . 11 CYS HB2 1 1 16 12990 2 2 11 CYS HB3 H -9.177 -6.719 2.373 1.00 . B A . 11 CYS HB3 1 1 16 12991 2 2 11 CYS N N -6.601 -6.524 1.292 1.00 . B A . 11 CYS N 1 1 16 12992 2 2 11 CYS O O -7.231 -9.536 2.971 1.00 . B A . 11 CYS O 1 1 16 12993 2 2 11 CYS SG S -8.749 -6.898 4.713 1.00 . B A . 11 CYS SG 1 1 16 12994 2 2 12 HIS C C -7.027 -11.040 -0.092 1.00 . B A . 12 HIS C 1 1 16 12995 2 2 12 HIS CA C -8.187 -10.270 0.504 1.00 . B A . 12 HIS CA 1 1 16 12996 2 2 12 HIS CB C -9.371 -10.282 -0.454 1.00 . B A . 12 HIS CB 1 1 16 12997 2 2 12 HIS CD2 C -11.227 -8.905 0.705 1.00 . B A . 12 HIS CD2 1 1 16 12998 2 2 12 HIS CE1 C -12.691 -10.470 1.022 1.00 . B A . 12 HIS CE1 1 1 16 12999 2 2 12 HIS CG C -10.696 -10.042 0.206 1.00 . B A . 12 HIS CG 1 1 16 13000 2 2 12 HIS H H -7.927 -8.183 0.240 1.00 . B A . 12 HIS H 1 1 16 13001 2 2 12 HIS HA H -8.488 -10.783 1.405 1.00 . B A . 12 HIS HA 1 1 16 13002 2 2 12 HIS HB2 H -9.215 -9.497 -1.178 1.00 . B A . 12 HIS HB2 1 1 16 13003 2 2 12 HIS HB3 H -9.391 -11.232 -0.966 1.00 . B A . 12 HIS HB3 1 1 16 13004 2 2 12 HIS HD1 H -11.551 -11.968 0.149 1.00 . B A . 12 HIS HD1 1 1 16 13005 2 2 12 HIS HD2 H -10.739 -7.943 0.689 1.00 . B A . 12 HIS HD2 1 1 16 13006 2 2 12 HIS HE1 H -13.583 -11.007 1.308 1.00 . B A . 12 HIS HE1 1 1 16 13007 2 2 12 HIS N N -7.833 -8.915 0.897 1.00 . B A . 12 HIS N 1 1 16 13008 2 2 12 HIS ND1 N -11.639 -11.025 0.414 1.00 . B A . 12 HIS ND1 1 1 16 13009 2 2 12 HIS NE2 N -12.492 -9.175 1.229 1.00 . B A . 12 HIS NE2 1 1 16 13010 2 2 12 HIS O O -6.709 -12.141 0.358 1.00 . B A . 12 HIS O 1 1 16 13011 2 2 13 VAL C C -3.980 -10.499 -1.525 1.00 . B A . 13 VAL C 1 1 16 13012 2 2 13 VAL CA C -5.322 -11.167 -1.778 1.00 . B A . 13 VAL CA 1 1 16 13013 2 2 13 VAL CB C -5.595 -11.317 -3.305 1.00 . B A . 13 VAL CB 1 1 16 13014 2 2 13 VAL CG1 C -6.731 -12.296 -3.542 1.00 . B A . 13 VAL CG1 1 1 16 13015 2 2 13 VAL CG2 C -5.939 -9.982 -3.971 1.00 . B A . 13 VAL CG2 1 1 16 13016 2 2 13 VAL H H -6.663 -9.573 -1.354 1.00 . B A . 13 VAL H 1 1 16 13017 2 2 13 VAL HA H -5.270 -12.156 -1.348 1.00 . B A . 13 VAL HA 1 1 16 13018 2 2 13 VAL HB H -4.672 -11.681 -3.728 1.00 . B A . 13 VAL HB 1 1 16 13019 2 2 13 VAL HG11 H -7.614 -11.928 -3.039 1.00 . B A . 13 VAL HG11 1 1 16 13020 2 2 13 VAL HG12 H -6.467 -13.265 -3.145 1.00 . B A . 13 VAL HG12 1 1 16 13021 2 2 13 VAL HG13 H -6.930 -12.376 -4.600 1.00 . B A . 13 VAL HG13 1 1 16 13022 2 2 13 VAL HG21 H -6.125 -10.139 -5.023 1.00 . B A . 13 VAL HG21 1 1 16 13023 2 2 13 VAL HG22 H -5.115 -9.295 -3.848 1.00 . B A . 13 VAL HG22 1 1 16 13024 2 2 13 VAL HG23 H -6.823 -9.568 -3.507 1.00 . B A . 13 VAL HG23 1 1 16 13025 2 2 13 VAL N N -6.405 -10.485 -1.088 1.00 . B A . 13 VAL N 1 1 16 13026 2 2 13 VAL O O -2.968 -11.161 -1.252 1.00 . B A . 13 VAL O 1 1 16 13027 2 2 14 GLY C C -2.715 -7.323 -2.377 1.00 . B A . 14 GLY C 1 1 16 13028 2 2 14 GLY CA C -2.828 -8.424 -1.373 1.00 . B A . 14 GLY CA 1 1 16 13029 2 2 14 GLY H H -4.810 -8.787 -1.932 1.00 . B A . 14 GLY H 1 1 16 13030 2 2 14 GLY HA2 H -2.910 -7.998 -0.384 1.00 . B A . 14 GLY HA2 1 1 16 13031 2 2 14 GLY HA3 H -1.937 -9.023 -1.410 1.00 . B A . 14 GLY HA3 1 1 16 13032 2 2 14 GLY N N -3.982 -9.219 -1.626 1.00 . B A . 14 GLY N 1 1 16 13033 2 2 14 GLY O O -3.397 -7.351 -3.407 1.00 . B A . 14 GLY O 1 1 16 13034 2 2 15 CYS C C -0.261 -4.964 -3.119 1.00 . B A . 15 CYS C 1 1 16 13035 2 2 15 CYS CA C -1.722 -5.243 -2.974 1.00 . B A . 15 CYS CA 1 1 16 13036 2 2 15 CYS CB C -2.418 -4.004 -2.426 1.00 . B A . 15 CYS CB 1 1 16 13037 2 2 15 CYS H H -1.382 -6.389 -1.259 1.00 . B A . 15 CYS H 1 1 16 13038 2 2 15 CYS HA H -2.154 -5.487 -3.935 1.00 . B A . 15 CYS HA 1 1 16 13039 2 2 15 CYS HB2 H -2.268 -3.202 -3.134 1.00 . B A . 15 CYS HB2 1 1 16 13040 2 2 15 CYS HB3 H -3.471 -4.207 -2.352 1.00 . B A . 15 CYS HB3 1 1 16 13041 2 2 15 CYS N N -1.904 -6.360 -2.094 1.00 . B A . 15 CYS N 1 1 16 13042 2 2 15 CYS O O 0.553 -5.423 -2.301 1.00 . B A . 15 CYS O 1 1 16 13043 2 2 15 CYS SG S -1.797 -3.410 -0.799 1.00 . B A . 15 CYS SG 1 1 16 13044 2 2 16 THR C C 1.755 -2.542 -3.780 1.00 . B A . 16 THR C 1 1 16 13045 2 2 16 THR CA C 1.441 -3.900 -4.334 1.00 . B A . 16 THR CA 1 1 16 13046 2 2 16 THR CB C 1.834 -4.025 -5.804 1.00 . B A . 16 THR CB 1 1 16 13047 2 2 16 THR CG2 C 2.019 -5.481 -6.181 1.00 . B A . 16 THR CG2 1 1 16 13048 2 2 16 THR H H -0.592 -3.847 -4.709 1.00 . B A . 16 THR H 1 1 16 13049 2 2 16 THR HA H 2.015 -4.611 -3.767 1.00 . B A . 16 THR HA 1 1 16 13050 2 2 16 THR HB H 2.769 -3.505 -5.946 1.00 . B A . 16 THR HB 1 1 16 13051 2 2 16 THR HG1 H 0.165 -4.085 -6.842 1.00 . B A . 16 THR HG1 1 1 16 13052 2 2 16 THR HG21 H 1.121 -6.025 -5.931 1.00 . B A . 16 THR HG21 1 1 16 13053 2 2 16 THR HG22 H 2.846 -5.892 -5.622 1.00 . B A . 16 THR HG22 1 1 16 13054 2 2 16 THR HG23 H 2.212 -5.563 -7.239 1.00 . B A . 16 THR HG23 1 1 16 13055 2 2 16 THR N N 0.087 -4.225 -4.116 1.00 . B A . 16 THR N 1 1 16 13056 2 2 16 THR O O 0.923 -1.650 -3.801 1.00 . B A . 16 THR O 1 1 16 13057 2 2 16 THR OG1 O 0.834 -3.419 -6.638 1.00 . B A . 16 THR OG1 1 1 16 13058 2 2 17 LYS C C 3.322 0.034 -3.527 1.00 . B A . 17 LYS C 1 1 16 13059 2 2 17 LYS CA C 3.396 -1.183 -2.612 1.00 . B A . 17 LYS CA 1 1 16 13060 2 2 17 LYS CB C 4.794 -1.402 -2.014 1.00 . B A . 17 LYS CB 1 1 16 13061 2 2 17 LYS CD C 4.006 -1.987 0.275 1.00 . B A . 17 LYS CD 1 1 16 13062 2 2 17 LYS CE C 4.003 -1.697 1.770 1.00 . B A . 17 LYS CE 1 1 16 13063 2 2 17 LYS CG C 4.902 -1.057 -0.534 1.00 . B A . 17 LYS CG 1 1 16 13064 2 2 17 LYS H H 3.533 -3.185 -3.363 1.00 . B A . 17 LYS H 1 1 16 13065 2 2 17 LYS HA H 2.705 -0.959 -1.811 1.00 . B A . 17 LYS HA 1 1 16 13066 2 2 17 LYS HB2 H 4.919 -2.469 -2.083 1.00 . B A . 17 LYS HB2 1 1 16 13067 2 2 17 LYS HB3 H 5.601 -0.949 -2.569 1.00 . B A . 17 LYS HB3 1 1 16 13068 2 2 17 LYS HD2 H 2.992 -1.892 -0.081 1.00 . B A . 17 LYS HD2 1 1 16 13069 2 2 17 LYS HD3 H 4.343 -3.001 0.117 1.00 . B A . 17 LYS HD3 1 1 16 13070 2 2 17 LYS HE2 H 3.631 -0.696 1.921 1.00 . B A . 17 LYS HE2 1 1 16 13071 2 2 17 LYS HE3 H 3.337 -2.397 2.252 1.00 . B A . 17 LYS HE3 1 1 16 13072 2 2 17 LYS HG2 H 5.927 -1.198 -0.224 1.00 . B A . 17 LYS HG2 1 1 16 13073 2 2 17 LYS HG3 H 4.598 -0.033 -0.374 1.00 . B A . 17 LYS HG3 1 1 16 13074 2 2 17 LYS HZ1 H 5.899 -2.596 1.968 1.00 . B A . 17 LYS HZ1 1 1 16 13075 2 2 17 LYS HZ2 H 5.270 -1.927 3.405 1.00 . B A . 17 LYS HZ2 1 1 16 13076 2 2 17 LYS HZ3 H 5.858 -0.915 2.240 1.00 . B A . 17 LYS HZ3 1 1 16 13077 2 2 17 LYS N N 2.944 -2.402 -3.281 1.00 . B A . 17 LYS N 1 1 16 13078 2 2 17 LYS NZ N 5.344 -1.808 2.374 1.00 . B A . 17 LYS NZ 1 1 16 13079 2 2 17 LYS O O 2.937 1.101 -3.085 1.00 . B A . 17 LYS O 1 1 16 13080 2 2 18 ARG C C 2.006 1.342 -5.936 1.00 . B A . 18 ARG C 1 1 16 13081 2 2 18 ARG CA C 3.477 0.949 -5.773 1.00 . B A . 18 ARG CA 1 1 16 13082 2 2 18 ARG CB C 4.009 0.570 -7.140 1.00 . B A . 18 ARG CB 1 1 16 13083 2 2 18 ARG CD C 5.862 0.012 -8.670 1.00 . B A . 18 ARG CD 1 1 16 13084 2 2 18 ARG CG C 5.461 0.188 -7.216 1.00 . B A . 18 ARG CG 1 1 16 13085 2 2 18 ARG CZ C 4.991 1.499 -10.498 1.00 . B A . 18 ARG CZ 1 1 16 13086 2 2 18 ARG H H 3.900 -1.033 -5.112 1.00 . B A . 18 ARG H 1 1 16 13087 2 2 18 ARG HA H 4.034 1.791 -5.389 1.00 . B A . 18 ARG HA 1 1 16 13088 2 2 18 ARG HB2 H 3.441 -0.277 -7.489 1.00 . B A . 18 ARG HB2 1 1 16 13089 2 2 18 ARG HB3 H 3.838 1.396 -7.814 1.00 . B A . 18 ARG HB3 1 1 16 13090 2 2 18 ARG HD2 H 6.883 -0.337 -8.712 1.00 . B A . 18 ARG HD2 1 1 16 13091 2 2 18 ARG HD3 H 5.210 -0.718 -9.126 1.00 . B A . 18 ARG HD3 1 1 16 13092 2 2 18 ARG HE H 6.317 1.997 -9.041 1.00 . B A . 18 ARG HE 1 1 16 13093 2 2 18 ARG HG2 H 6.060 0.966 -6.767 1.00 . B A . 18 ARG HG2 1 1 16 13094 2 2 18 ARG HG3 H 5.615 -0.745 -6.693 1.00 . B A . 18 ARG HG3 1 1 16 13095 2 2 18 ARG HH11 H 4.158 -0.381 -10.607 1.00 . B A . 18 ARG HH11 1 1 16 13096 2 2 18 ARG HH12 H 3.629 0.700 -11.793 1.00 . B A . 18 ARG HH12 1 1 16 13097 2 2 18 ARG HH21 H 5.573 3.444 -10.735 1.00 . B A . 18 ARG HH21 1 1 16 13098 2 2 18 ARG HH22 H 4.453 2.898 -11.886 1.00 . B A . 18 ARG HH22 1 1 16 13099 2 2 18 ARG N N 3.600 -0.152 -4.811 1.00 . B A . 18 ARG N 1 1 16 13100 2 2 18 ARG NE N 5.753 1.278 -9.410 1.00 . B A . 18 ARG NE 1 1 16 13101 2 2 18 ARG NH1 N 4.216 0.541 -10.995 1.00 . B A . 18 ARG NH1 1 1 16 13102 2 2 18 ARG NH2 N 5.007 2.690 -11.076 1.00 . B A . 18 ARG NH2 1 1 16 13103 2 2 18 ARG O O 1.677 2.488 -6.235 1.00 . B A . 18 ARG O 1 1 16 13104 2 2 19 SER C C -0.781 1.453 -4.698 1.00 . B A . 19 SER C 1 1 16 13105 2 2 19 SER CA C -0.265 0.591 -5.844 1.00 . B A . 19 SER CA 1 1 16 13106 2 2 19 SER CB C -0.981 -0.760 -5.932 1.00 . B A . 19 SER CB 1 1 16 13107 2 2 19 SER H H 1.450 -0.478 -5.371 1.00 . B A . 19 SER H 1 1 16 13108 2 2 19 SER HA H -0.415 1.129 -6.769 1.00 . B A . 19 SER HA 1 1 16 13109 2 2 19 SER HB2 H -0.485 -1.328 -6.703 1.00 . B A . 19 SER HB2 1 1 16 13110 2 2 19 SER HB3 H -0.864 -1.302 -5.003 1.00 . B A . 19 SER HB3 1 1 16 13111 2 2 19 SER HG H -2.743 -1.491 -6.083 1.00 . B A . 19 SER HG 1 1 16 13112 2 2 19 SER N N 1.137 0.393 -5.692 1.00 . B A . 19 SER N 1 1 16 13113 2 2 19 SER O O -1.678 2.260 -4.885 1.00 . B A . 19 SER O 1 1 16 13114 2 2 19 SER OG O -2.357 -0.623 -6.255 1.00 . B A . 19 SER OG 1 1 16 13115 2 2 20 LEU C C 0.140 3.540 -2.647 1.00 . B A . 20 LEU C 1 1 16 13116 2 2 20 LEU CA C -0.574 2.233 -2.437 1.00 . B A . 20 LEU CA 1 1 16 13117 2 2 20 LEU CB C -0.320 1.742 -0.979 1.00 . B A . 20 LEU CB 1 1 16 13118 2 2 20 LEU CD1 C 0.290 -0.680 -1.020 1.00 . B A . 20 LEU CD1 1 1 16 13119 2 2 20 LEU CD2 C -0.970 0.207 0.892 1.00 . B A . 20 LEU CD2 1 1 16 13120 2 2 20 LEU CG C -0.739 0.317 -0.594 1.00 . B A . 20 LEU CG 1 1 16 13121 2 2 20 LEU H H 0.452 0.584 -3.406 1.00 . B A . 20 LEU H 1 1 16 13122 2 2 20 LEU HA H -1.617 2.467 -2.575 1.00 . B A . 20 LEU HA 1 1 16 13123 2 2 20 LEU HB2 H 0.692 1.936 -0.657 1.00 . B A . 20 LEU HB2 1 1 16 13124 2 2 20 LEU HB3 H -0.924 2.398 -0.372 1.00 . B A . 20 LEU HB3 1 1 16 13125 2 2 20 LEU HD11 H -0.049 -1.674 -0.764 1.00 . B A . 20 LEU HD11 1 1 16 13126 2 2 20 LEU HD12 H 1.212 -0.472 -0.497 1.00 . B A . 20 LEU HD12 1 1 16 13127 2 2 20 LEU HD13 H 0.449 -0.616 -2.086 1.00 . B A . 20 LEU HD13 1 1 16 13128 2 2 20 LEU HD21 H -1.772 0.863 1.197 1.00 . B A . 20 LEU HD21 1 1 16 13129 2 2 20 LEU HD22 H -0.056 0.479 1.397 1.00 . B A . 20 LEU HD22 1 1 16 13130 2 2 20 LEU HD23 H -1.218 -0.816 1.130 1.00 . B A . 20 LEU HD23 1 1 16 13131 2 2 20 LEU HG H -1.664 0.076 -1.096 1.00 . B A . 20 LEU HG 1 1 16 13132 2 2 20 LEU N N -0.193 1.316 -3.515 1.00 . B A . 20 LEU N 1 1 16 13133 2 2 20 LEU O O -0.386 4.591 -2.335 1.00 . B A . 20 LEU O 1 1 16 13134 2 2 21 ALA C C 1.522 5.632 -4.409 1.00 . B A . 21 ALA C 1 1 16 13135 2 2 21 ALA CA C 2.186 4.609 -3.502 1.00 . B A . 21 ALA CA 1 1 16 13136 2 2 21 ALA CB C 3.499 4.165 -4.122 1.00 . B A . 21 ALA CB 1 1 16 13137 2 2 21 ALA H H 1.622 2.541 -3.454 1.00 . B A . 21 ALA H 1 1 16 13138 2 2 21 ALA HA H 2.409 5.082 -2.557 1.00 . B A . 21 ALA HA 1 1 16 13139 2 2 21 ALA HB1 H 3.956 3.399 -3.514 1.00 . B A . 21 ALA HB1 1 1 16 13140 2 2 21 ALA HB2 H 4.165 5.011 -4.198 1.00 . B A . 21 ALA HB2 1 1 16 13141 2 2 21 ALA HB3 H 3.307 3.774 -5.112 1.00 . B A . 21 ALA HB3 1 1 16 13142 2 2 21 ALA N N 1.320 3.449 -3.227 1.00 . B A . 21 ALA N 1 1 16 13143 2 2 21 ALA O O 1.712 6.835 -4.243 1.00 . B A . 21 ALA O 1 1 16 13144 2 2 22 ARG C C -1.099 6.781 -5.653 1.00 . B A . 22 ARG C 1 1 16 13145 2 2 22 ARG CA C 0.071 6.048 -6.301 1.00 . B A . 22 ARG CA 1 1 16 13146 2 2 22 ARG CB C -0.376 5.307 -7.563 1.00 . B A . 22 ARG CB 1 1 16 13147 2 2 22 ARG CD C -1.649 3.406 -8.563 1.00 . B A . 22 ARG CD 1 1 16 13148 2 2 22 ARG CG C -1.233 4.103 -7.295 1.00 . B A . 22 ARG CG 1 1 16 13149 2 2 22 ARG CZ C -2.896 1.342 -9.166 1.00 . B A . 22 ARG CZ 1 1 16 13150 2 2 22 ARG H H 0.678 4.182 -5.456 1.00 . B A . 22 ARG H 1 1 16 13151 2 2 22 ARG HA H 0.792 6.799 -6.587 1.00 . B A . 22 ARG HA 1 1 16 13152 2 2 22 ARG HB2 H -0.938 5.988 -8.185 1.00 . B A . 22 ARG HB2 1 1 16 13153 2 2 22 ARG HB3 H 0.503 4.987 -8.103 1.00 . B A . 22 ARG HB3 1 1 16 13154 2 2 22 ARG HD2 H -2.332 4.043 -9.105 1.00 . B A . 22 ARG HD2 1 1 16 13155 2 2 22 ARG HD3 H -0.775 3.212 -9.165 1.00 . B A . 22 ARG HD3 1 1 16 13156 2 2 22 ARG HE H -2.252 1.850 -7.329 1.00 . B A . 22 ARG HE 1 1 16 13157 2 2 22 ARG HG2 H -0.677 3.407 -6.684 1.00 . B A . 22 ARG HG2 1 1 16 13158 2 2 22 ARG HG3 H -2.116 4.417 -6.758 1.00 . B A . 22 ARG HG3 1 1 16 13159 2 2 22 ARG HH11 H -2.814 2.674 -10.733 1.00 . B A . 22 ARG HH11 1 1 16 13160 2 2 22 ARG HH12 H -3.508 1.162 -11.110 1.00 . B A . 22 ARG HH12 1 1 16 13161 2 2 22 ARG HH21 H -3.194 -0.195 -7.857 1.00 . B A . 22 ARG HH21 1 1 16 13162 2 2 22 ARG HH22 H -3.744 -0.488 -9.450 1.00 . B A . 22 ARG HH22 1 1 16 13163 2 2 22 ARG N N 0.754 5.159 -5.366 1.00 . B A . 22 ARG N 1 1 16 13164 2 2 22 ARG NE N -2.311 2.136 -8.268 1.00 . B A . 22 ARG NE 1 1 16 13165 2 2 22 ARG NH1 N -3.088 1.760 -10.421 1.00 . B A . 22 ARG NH1 1 1 16 13166 2 2 22 ARG NH2 N -3.310 0.143 -8.799 1.00 . B A . 22 ARG NH2 1 1 16 13167 2 2 22 ARG O O -1.543 7.811 -6.155 1.00 . B A . 22 ARG O 1 1 16 13168 2 2 23 PHE C C -2.190 7.622 -2.618 1.00 . B A . 23 PHE C 1 1 16 13169 2 2 23 PHE CA C -2.686 6.899 -3.846 1.00 . B A . 23 PHE CA 1 1 16 13170 2 2 23 PHE CB C -3.778 5.886 -3.470 1.00 . B A . 23 PHE CB 1 1 16 13171 2 2 23 PHE CD1 C -5.520 5.993 -5.272 1.00 . B A . 23 PHE CD1 1 1 16 13172 2 2 23 PHE CD2 C -4.193 4.029 -5.103 1.00 . B A . 23 PHE CD2 1 1 16 13173 2 2 23 PHE CE1 C -6.200 5.449 -6.341 1.00 . B A . 23 PHE CE1 1 1 16 13174 2 2 23 PHE CE2 C -4.866 3.477 -6.172 1.00 . B A . 23 PHE CE2 1 1 16 13175 2 2 23 PHE CG C -4.508 5.290 -4.642 1.00 . B A . 23 PHE CG 1 1 16 13176 2 2 23 PHE CZ C -5.870 4.188 -6.792 1.00 . B A . 23 PHE CZ 1 1 16 13177 2 2 23 PHE H H -1.166 5.456 -4.179 1.00 . B A . 23 PHE H 1 1 16 13178 2 2 23 PHE HA H -3.108 7.637 -4.503 1.00 . B A . 23 PHE HA 1 1 16 13179 2 2 23 PHE HB2 H -3.330 5.075 -2.917 1.00 . B A . 23 PHE HB2 1 1 16 13180 2 2 23 PHE HB3 H -4.504 6.378 -2.839 1.00 . B A . 23 PHE HB3 1 1 16 13181 2 2 23 PHE HD1 H -5.777 6.982 -4.920 1.00 . B A . 23 PHE HD1 1 1 16 13182 2 2 23 PHE HD2 H -3.404 3.472 -4.620 1.00 . B A . 23 PHE HD2 1 1 16 13183 2 2 23 PHE HE1 H -6.987 6.007 -6.823 1.00 . B A . 23 PHE HE1 1 1 16 13184 2 2 23 PHE HE2 H -4.605 2.490 -6.524 1.00 . B A . 23 PHE HE2 1 1 16 13185 2 2 23 PHE HZ H -6.397 3.757 -7.629 1.00 . B A . 23 PHE HZ 1 1 16 13186 2 2 23 PHE N N -1.583 6.265 -4.545 1.00 . B A . 23 PHE N 1 1 16 13187 2 2 23 PHE O O -2.206 8.852 -2.557 1.00 . B A . 23 PHE O 1 1 16 13188 2 2 24 CYS C C -2.283 8.013 0.416 1.00 . B A . 24 CYS C 1 1 16 13189 2 2 24 CYS CA C -1.199 7.281 -0.392 1.00 . B A . 24 CYS CA 1 1 16 13190 2 2 24 CYS CB C 0.086 8.109 -0.536 1.00 . B A . 24 CYS CB 1 1 16 13191 2 2 24 CYS H H -1.634 5.887 -1.922 1.00 . B A . 24 CYS H 1 1 16 13192 2 2 24 CYS HA H -0.967 6.376 0.152 1.00 . B A . 24 CYS HA 1 1 16 13193 2 2 24 CYS HB2 H 0.820 7.526 -1.073 1.00 . B A . 24 CYS HB2 1 1 16 13194 2 2 24 CYS HB3 H -0.137 8.998 -1.105 1.00 . B A . 24 CYS HB3 1 1 16 13195 2 2 24 CYS N N -1.698 6.839 -1.691 1.00 . B A . 24 CYS N 1 1 16 13196 2 2 24 CYS O O -3.042 7.387 1.152 1.00 . B A . 24 CYS O 1 1 16 13197 2 2 24 CYS SG S 0.846 8.625 1.039 1.00 . B A . 24 CYS SG 1 1 16 13198 2 2 25 NH2 HN1 H -1.751 9.765 -0.331 1.00 . B A . 25 NH2 HN1 1 1 16 13199 2 2 25 NH2 HN2 H -3.085 9.787 0.759 1.00 . B A . 25 NH2 HN2 1 1 16 13200 2 2 25 NH2 N N -2.381 9.314 0.268 1.00 . B A . 25 NH2 N 1 1 17 13201 1 1 1 ASP C C 12.135 -2.163 0.278 1.00 . A B . 1 ASP C 1 1 17 13202 1 1 1 ASP CA C 11.592 -1.903 1.658 1.00 . A B . 1 ASP CA 1 1 17 13203 1 1 1 ASP CB C 11.304 -0.403 1.787 1.00 . A B . 1 ASP CB 1 1 17 13204 1 1 1 ASP CG C 12.548 0.442 1.614 1.00 . A B . 1 ASP CG 1 1 17 13205 1 1 1 ASP H1 H 12.176 -2.183 3.628 1.00 . A B . 1 ASP H1 1 1 17 13206 1 1 1 ASP H2 H 13.439 -1.835 2.555 1.00 . A B . 1 ASP H2 1 1 17 13207 1 1 1 ASP H3 H 12.750 -3.356 2.560 1.00 . A B . 1 ASP H3 1 1 17 13208 1 1 1 ASP HA H 10.668 -2.448 1.786 1.00 . A B . 1 ASP HA 1 1 17 13209 1 1 1 ASP HB2 H 10.593 -0.115 1.027 1.00 . A B . 1 ASP HB2 1 1 17 13210 1 1 1 ASP HB3 H 10.882 -0.201 2.759 1.00 . A B . 1 ASP HB3 1 1 17 13211 1 1 1 ASP N N 12.541 -2.344 2.668 1.00 . A B . 1 ASP N 1 1 17 13212 1 1 1 ASP O O 13.345 -2.198 0.068 1.00 . A B . 1 ASP O 1 1 17 13213 1 1 1 ASP OD1 O 13.266 0.663 2.604 1.00 . A B . 1 ASP OD1 1 1 17 13214 1 1 1 ASP OD2 O 12.840 0.880 0.501 1.00 . A B . 1 ASP OD2 1 1 17 13215 1 1 2 SER C C 10.428 -1.730 -2.695 1.00 . A B . 2 SER C 1 1 17 13216 1 1 2 SER CA C 11.535 -2.494 -2.023 1.00 . A B . 2 SER CA 1 1 17 13217 1 1 2 SER CB C 11.512 -3.933 -2.499 1.00 . A B . 2 SER CB 1 1 17 13218 1 1 2 SER H H 10.305 -2.543 -0.360 1.00 . A B . 2 SER H 1 1 17 13219 1 1 2 SER HA H 12.490 -2.033 -2.224 1.00 . A B . 2 SER HA 1 1 17 13220 1 1 2 SER HB2 H 10.484 -4.247 -2.545 1.00 . A B . 2 SER HB2 1 1 17 13221 1 1 2 SER HB3 H 11.917 -3.963 -3.499 1.00 . A B . 2 SER HB3 1 1 17 13222 1 1 2 SER HG H 11.890 -4.769 -0.782 1.00 . A B . 2 SER HG 1 1 17 13223 1 1 2 SER N N 11.243 -2.407 -0.628 1.00 . A B . 2 SER N 1 1 17 13224 1 1 2 SER O O 9.285 -1.816 -2.270 1.00 . A B . 2 SER O 1 1 17 13225 1 1 2 SER OG O 12.305 -4.777 -1.654 1.00 . A B . 2 SER OG 1 1 17 13226 1 1 3 TRP C C 9.114 -0.818 -5.478 1.00 . A B . 3 TRP C 1 1 17 13227 1 1 3 TRP CA C 9.720 -0.151 -4.277 1.00 . A B . 3 TRP CA 1 1 17 13228 1 1 3 TRP CB C 10.178 1.283 -4.584 1.00 . A B . 3 TRP CB 1 1 17 13229 1 1 3 TRP CD1 C 11.717 2.835 -3.245 1.00 . A B . 3 TRP CD1 1 1 17 13230 1 1 3 TRP CD2 C 9.950 2.104 -2.072 1.00 . A B . 3 TRP CD2 1 1 17 13231 1 1 3 TRP CE2 C 10.723 2.931 -1.246 1.00 . A B . 3 TRP CE2 1 1 17 13232 1 1 3 TRP CE3 C 8.784 1.531 -1.541 1.00 . A B . 3 TRP CE3 1 1 17 13233 1 1 3 TRP CG C 10.607 2.058 -3.362 1.00 . A B . 3 TRP CG 1 1 17 13234 1 1 3 TRP CH2 C 9.235 2.618 0.562 1.00 . A B . 3 TRP CH2 1 1 17 13235 1 1 3 TRP CZ2 C 10.375 3.196 0.078 1.00 . A B . 3 TRP CZ2 1 1 17 13236 1 1 3 TRP CZ3 C 8.446 1.793 -0.239 1.00 . A B . 3 TRP CZ3 1 1 17 13237 1 1 3 TRP H H 11.667 -0.949 -3.973 1.00 . A B . 3 TRP H 1 1 17 13238 1 1 3 TRP HA H 8.926 -0.095 -3.550 1.00 . A B . 3 TRP HA 1 1 17 13239 1 1 3 TRP HB2 H 11.015 1.247 -5.265 1.00 . A B . 3 TRP HB2 1 1 17 13240 1 1 3 TRP HB3 H 9.366 1.819 -5.052 1.00 . A B . 3 TRP HB3 1 1 17 13241 1 1 3 TRP HD1 H 12.428 3.004 -4.039 1.00 . A B . 3 TRP HD1 1 1 17 13242 1 1 3 TRP HE1 H 12.499 3.954 -1.646 1.00 . A B . 3 TRP HE1 1 1 17 13243 1 1 3 TRP HE3 H 8.137 0.892 -2.122 1.00 . A B . 3 TRP HE3 1 1 17 13244 1 1 3 TRP HH2 H 8.930 2.796 1.582 1.00 . A B . 3 TRP HH2 1 1 17 13245 1 1 3 TRP HZ2 H 10.977 3.834 0.709 1.00 . A B . 3 TRP HZ2 1 1 17 13246 1 1 3 TRP HZ3 H 7.548 1.339 0.159 1.00 . A B . 3 TRP HZ3 1 1 17 13247 1 1 3 TRP N N 10.742 -0.950 -3.655 1.00 . A B . 3 TRP N 1 1 17 13248 1 1 3 TRP NE1 N 11.795 3.361 -1.981 1.00 . A B . 3 TRP NE1 1 1 17 13249 1 1 3 TRP O O 7.892 -0.896 -5.597 1.00 . A B . 3 TRP O 1 1 17 13250 1 1 4 MET C C 8.616 -3.111 -7.417 1.00 . A B . 4 MET C 1 1 17 13251 1 1 4 MET CA C 9.484 -1.885 -7.601 1.00 . A B . 4 MET CA 1 1 17 13252 1 1 4 MET CB C 10.638 -2.157 -8.562 1.00 . A B . 4 MET CB 1 1 17 13253 1 1 4 MET CE C 9.812 -0.683 -11.302 1.00 . A B . 4 MET CE 1 1 17 13254 1 1 4 MET CG C 11.371 -0.901 -9.002 1.00 . A B . 4 MET CG 1 1 17 13255 1 1 4 MET H H 10.913 -1.367 -6.122 1.00 . A B . 4 MET H 1 1 17 13256 1 1 4 MET HA H 8.861 -1.120 -8.041 1.00 . A B . 4 MET HA 1 1 17 13257 1 1 4 MET HB2 H 11.348 -2.815 -8.085 1.00 . A B . 4 MET HB2 1 1 17 13258 1 1 4 MET HB3 H 10.246 -2.645 -9.441 1.00 . A B . 4 MET HB3 1 1 17 13259 1 1 4 MET HE1 H 9.262 -1.560 -10.999 1.00 . A B . 4 MET HE1 1 1 17 13260 1 1 4 MET HE2 H 10.696 -0.975 -11.848 1.00 . A B . 4 MET HE2 1 1 17 13261 1 1 4 MET HE3 H 9.189 -0.069 -11.937 1.00 . A B . 4 MET HE3 1 1 17 13262 1 1 4 MET HG2 H 11.781 -0.415 -8.129 1.00 . A B . 4 MET HG2 1 1 17 13263 1 1 4 MET HG3 H 12.175 -1.177 -9.670 1.00 . A B . 4 MET HG3 1 1 17 13264 1 1 4 MET N N 9.956 -1.341 -6.344 1.00 . A B . 4 MET N 1 1 17 13265 1 1 4 MET O O 7.517 -3.180 -7.981 1.00 . A B . 4 MET O 1 1 17 13266 1 1 4 MET SD S 10.287 0.271 -9.854 1.00 . A B . 4 MET SD 1 1 17 13267 1 1 5 GLU C C 8.190 -5.538 -4.875 1.00 . A B . 5 GLU C 1 1 17 13268 1 1 5 GLU CA C 8.220 -5.184 -6.351 1.00 . A B . 5 GLU CA 1 1 17 13269 1 1 5 GLU CB C 8.604 -6.401 -7.194 1.00 . A B . 5 GLU CB 1 1 17 13270 1 1 5 GLU CD C 8.050 -8.791 -7.755 1.00 . A B . 5 GLU CD 1 1 17 13271 1 1 5 GLU CG C 7.595 -7.538 -7.081 1.00 . A B . 5 GLU CG 1 1 17 13272 1 1 5 GLU H H 9.915 -3.960 -6.166 1.00 . A B . 5 GLU H 1 1 17 13273 1 1 5 GLU HA H 7.216 -4.891 -6.623 1.00 . A B . 5 GLU HA 1 1 17 13274 1 1 5 GLU HB2 H 8.682 -6.106 -8.230 1.00 . A B . 5 GLU HB2 1 1 17 13275 1 1 5 GLU HB3 H 9.563 -6.768 -6.859 1.00 . A B . 5 GLU HB3 1 1 17 13276 1 1 5 GLU HG2 H 7.423 -7.751 -6.037 1.00 . A B . 5 GLU HG2 1 1 17 13277 1 1 5 GLU HG3 H 6.667 -7.218 -7.532 1.00 . A B . 5 GLU HG3 1 1 17 13278 1 1 5 GLU N N 9.041 -4.041 -6.607 1.00 . A B . 5 GLU N 1 1 17 13279 1 1 5 GLU O O 9.005 -6.331 -4.391 1.00 . A B . 5 GLU O 1 1 17 13280 1 1 5 GLU OE1 O 8.825 -9.551 -7.140 1.00 . A B . 5 GLU OE1 1 1 17 13281 1 1 5 GLU OE2 O 7.649 -9.052 -8.910 1.00 . A B . 5 GLU OE2 1 1 17 13282 1 1 6 GLU C C 5.577 -5.409 -2.736 1.00 . A B . 6 GLU C 1 1 17 13283 1 1 6 GLU CA C 7.052 -5.264 -2.804 1.00 . A B . 6 GLU CA 1 1 17 13284 1 1 6 GLU CB C 7.505 -4.200 -1.820 1.00 . A B . 6 GLU CB 1 1 17 13285 1 1 6 GLU CD C 8.179 -3.643 0.551 1.00 . A B . 6 GLU CD 1 1 17 13286 1 1 6 GLU CG C 7.613 -4.683 -0.379 1.00 . A B . 6 GLU CG 1 1 17 13287 1 1 6 GLU H H 6.785 -4.188 -4.555 1.00 . A B . 6 GLU H 1 1 17 13288 1 1 6 GLU HA H 7.523 -6.214 -2.595 1.00 . A B . 6 GLU HA 1 1 17 13289 1 1 6 GLU HB2 H 8.423 -3.721 -2.122 1.00 . A B . 6 GLU HB2 1 1 17 13290 1 1 6 GLU HB3 H 6.701 -3.480 -1.820 1.00 . A B . 6 GLU HB3 1 1 17 13291 1 1 6 GLU HG2 H 6.632 -4.961 -0.026 1.00 . A B . 6 GLU HG2 1 1 17 13292 1 1 6 GLU HG3 H 8.259 -5.549 -0.358 1.00 . A B . 6 GLU HG3 1 1 17 13293 1 1 6 GLU N N 7.312 -4.912 -4.163 1.00 . A B . 6 GLU N 1 1 17 13294 1 1 6 GLU O O 4.852 -4.681 -3.427 1.00 . A B . 6 GLU O 1 1 17 13295 1 1 6 GLU OE1 O 7.481 -2.682 0.888 1.00 . A B . 6 GLU OE1 1 1 17 13296 1 1 6 GLU OE2 O 9.339 -3.791 0.994 1.00 . A B . 6 GLU OE2 1 1 17 13297 1 1 7 VAL C C 3.384 -6.947 -0.424 1.00 . A B . 7 VAL C 1 1 17 13298 1 1 7 VAL CA C 3.746 -6.631 -1.859 1.00 . A B . 7 VAL CA 1 1 17 13299 1 1 7 VAL CB C 3.409 -7.827 -2.827 1.00 . A B . 7 VAL CB 1 1 17 13300 1 1 7 VAL CG1 C 4.303 -9.026 -2.565 1.00 . A B . 7 VAL CG1 1 1 17 13301 1 1 7 VAL CG2 C 1.932 -8.228 -2.758 1.00 . A B . 7 VAL CG2 1 1 17 13302 1 1 7 VAL H H 5.799 -6.688 -1.338 1.00 . A B . 7 VAL H 1 1 17 13303 1 1 7 VAL HA H 3.175 -5.768 -2.164 1.00 . A B . 7 VAL HA 1 1 17 13304 1 1 7 VAL HB H 3.621 -7.489 -3.832 1.00 . A B . 7 VAL HB 1 1 17 13305 1 1 7 VAL HG11 H 4.044 -9.829 -3.238 1.00 . A B . 7 VAL HG11 1 1 17 13306 1 1 7 VAL HG12 H 4.173 -9.349 -1.544 1.00 . A B . 7 VAL HG12 1 1 17 13307 1 1 7 VAL HG13 H 5.335 -8.744 -2.722 1.00 . A B . 7 VAL HG13 1 1 17 13308 1 1 7 VAL HG21 H 1.748 -9.057 -3.426 1.00 . A B . 7 VAL HG21 1 1 17 13309 1 1 7 VAL HG22 H 1.312 -7.391 -3.043 1.00 . A B . 7 VAL HG22 1 1 17 13310 1 1 7 VAL HG23 H 1.683 -8.518 -1.747 1.00 . A B . 7 VAL HG23 1 1 17 13311 1 1 7 VAL N N 5.139 -6.283 -1.941 1.00 . A B . 7 VAL N 1 1 17 13312 1 1 7 VAL O O 4.181 -7.537 0.308 1.00 . A B . 7 VAL O 1 1 17 13313 1 1 8 ILE C C 0.323 -7.162 1.312 1.00 . A B . 8 ILE C 1 1 17 13314 1 1 8 ILE CA C 1.766 -6.712 1.345 1.00 . A B . 8 ILE CA 1 1 17 13315 1 1 8 ILE CB C 1.843 -5.421 2.215 1.00 . A B . 8 ILE CB 1 1 17 13316 1 1 8 ILE CD1 C 0.889 -3.043 2.429 1.00 . A B . 8 ILE CD1 1 1 17 13317 1 1 8 ILE CG1 C 0.908 -4.340 1.648 1.00 . A B . 8 ILE CG1 1 1 17 13318 1 1 8 ILE CG2 C 3.281 -4.914 2.331 1.00 . A B . 8 ILE CG2 1 1 17 13319 1 1 8 ILE H H 1.637 -6.024 -0.635 1.00 . A B . 8 ILE H 1 1 17 13320 1 1 8 ILE HA H 2.381 -7.475 1.798 1.00 . A B . 8 ILE HA 1 1 17 13321 1 1 8 ILE HB H 1.509 -5.685 3.205 1.00 . A B . 8 ILE HB 1 1 17 13322 1 1 8 ILE HD11 H 0.565 -3.237 3.440 1.00 . A B . 8 ILE HD11 1 1 17 13323 1 1 8 ILE HD12 H 0.208 -2.349 1.959 1.00 . A B . 8 ILE HD12 1 1 17 13324 1 1 8 ILE HD13 H 1.882 -2.620 2.445 1.00 . A B . 8 ILE HD13 1 1 17 13325 1 1 8 ILE HG12 H 1.205 -4.143 0.632 1.00 . A B . 8 ILE HG12 1 1 17 13326 1 1 8 ILE HG13 H -0.097 -4.738 1.632 1.00 . A B . 8 ILE HG13 1 1 17 13327 1 1 8 ILE HG21 H 3.896 -5.668 2.799 1.00 . A B . 8 ILE HG21 1 1 17 13328 1 1 8 ILE HG22 H 3.297 -4.014 2.927 1.00 . A B . 8 ILE HG22 1 1 17 13329 1 1 8 ILE HG23 H 3.665 -4.697 1.345 1.00 . A B . 8 ILE HG23 1 1 17 13330 1 1 8 ILE N N 2.228 -6.496 -0.005 1.00 . A B . 8 ILE N 1 1 17 13331 1 1 8 ILE O O -0.333 -7.082 0.271 1.00 . A B . 8 ILE O 1 1 17 13332 1 1 9 LYS C C -2.004 -7.491 3.963 1.00 . A B . 9 LYS C 1 1 17 13333 1 1 9 LYS CA C -1.539 -7.991 2.606 1.00 . A B . 9 LYS CA 1 1 17 13334 1 1 9 LYS CB C -1.719 -9.517 2.483 1.00 . A B . 9 LYS CB 1 1 17 13335 1 1 9 LYS CD C -3.252 -11.511 2.422 1.00 . A B . 9 LYS CD 1 1 17 13336 1 1 9 LYS CE C -4.688 -12.020 2.328 1.00 . A B . 9 LYS CE 1 1 17 13337 1 1 9 LYS CG C -3.174 -9.995 2.486 1.00 . A B . 9 LYS CG 1 1 17 13338 1 1 9 LYS H H 0.445 -7.629 3.207 1.00 . A B . 9 LYS H 1 1 17 13339 1 1 9 LYS HA H -2.112 -7.489 1.839 1.00 . A B . 9 LYS HA 1 1 17 13340 1 1 9 LYS HB2 H -1.259 -9.844 1.563 1.00 . A B . 9 LYS HB2 1 1 17 13341 1 1 9 LYS HB3 H -1.208 -9.985 3.312 1.00 . A B . 9 LYS HB3 1 1 17 13342 1 1 9 LYS HD2 H -2.715 -11.848 1.549 1.00 . A B . 9 LYS HD2 1 1 17 13343 1 1 9 LYS HD3 H -2.790 -11.921 3.308 1.00 . A B . 9 LYS HD3 1 1 17 13344 1 1 9 LYS HE2 H -5.139 -11.619 1.433 1.00 . A B . 9 LYS HE2 1 1 17 13345 1 1 9 LYS HE3 H -4.664 -13.097 2.257 1.00 . A B . 9 LYS HE3 1 1 17 13346 1 1 9 LYS HG2 H -3.652 -9.655 3.392 1.00 . A B . 9 LYS HG2 1 1 17 13347 1 1 9 LYS HG3 H -3.683 -9.577 1.630 1.00 . A B . 9 LYS HG3 1 1 17 13348 1 1 9 LYS HZ1 H -5.111 -11.961 4.382 1.00 . A B . 9 LYS HZ1 1 1 17 13349 1 1 9 LYS HZ2 H -6.474 -12.033 3.402 1.00 . A B . 9 LYS HZ2 1 1 17 13350 1 1 9 LYS HZ3 H -5.628 -10.598 3.558 1.00 . A B . 9 LYS HZ3 1 1 17 13351 1 1 9 LYS N N -0.161 -7.594 2.440 1.00 . A B . 9 LYS N 1 1 17 13352 1 1 9 LYS NZ N -5.519 -11.631 3.486 1.00 . A B . 9 LYS NZ 1 1 17 13353 1 1 9 LYS O O -2.108 -8.240 4.932 1.00 . A B . 9 LYS O 1 1 17 13354 1 1 10 LEU C C -3.976 -5.057 5.067 1.00 . A B . 10 LEU C 1 1 17 13355 1 1 10 LEU CA C -2.588 -5.540 5.249 1.00 . A B . 10 LEU CA 1 1 17 13356 1 1 10 LEU CB C -1.652 -4.387 5.658 1.00 . A B . 10 LEU CB 1 1 17 13357 1 1 10 LEU CD1 C 0.413 -5.858 5.955 1.00 . A B . 10 LEU CD1 1 1 17 13358 1 1 10 LEU CD2 C 0.425 -3.530 6.797 1.00 . A B . 10 LEU CD2 1 1 17 13359 1 1 10 LEU CG C -0.438 -4.749 6.549 1.00 . A B . 10 LEU CG 1 1 17 13360 1 1 10 LEU H H -1.985 -5.668 3.245 1.00 . A B . 10 LEU H 1 1 17 13361 1 1 10 LEU HA H -2.629 -6.255 6.058 1.00 . A B . 10 LEU HA 1 1 17 13362 1 1 10 LEU HB2 H -1.313 -3.899 4.759 1.00 . A B . 10 LEU HB2 1 1 17 13363 1 1 10 LEU HB3 H -2.253 -3.670 6.197 1.00 . A B . 10 LEU HB3 1 1 17 13364 1 1 10 LEU HD11 H -0.191 -6.741 5.807 1.00 . A B . 10 LEU HD11 1 1 17 13365 1 1 10 LEU HD12 H 1.225 -6.082 6.631 1.00 . A B . 10 LEU HD12 1 1 17 13366 1 1 10 LEU HD13 H 0.811 -5.525 5.010 1.00 . A B . 10 LEU HD13 1 1 17 13367 1 1 10 LEU HD21 H 1.239 -3.795 7.456 1.00 . A B . 10 LEU HD21 1 1 17 13368 1 1 10 LEU HD22 H -0.164 -2.749 7.251 1.00 . A B . 10 LEU HD22 1 1 17 13369 1 1 10 LEU HD23 H 0.826 -3.177 5.858 1.00 . A B . 10 LEU HD23 1 1 17 13370 1 1 10 LEU HG H -0.838 -5.069 7.499 1.00 . A B . 10 LEU HG 1 1 17 13371 1 1 10 LEU N N -2.146 -6.208 4.045 1.00 . A B . 10 LEU N 1 1 17 13372 1 1 10 LEU O O -4.546 -5.187 3.979 1.00 . A B . 10 LEU O 1 1 17 13373 1 1 11 CYS C C -6.052 -2.961 7.098 1.00 . A B . 11 CYS C 1 1 17 13374 1 1 11 CYS CA C -5.887 -4.065 6.075 1.00 . A B . 11 CYS CA 1 1 17 13375 1 1 11 CYS CB C -6.790 -5.199 6.503 1.00 . A B . 11 CYS CB 1 1 17 13376 1 1 11 CYS H H -3.988 -4.383 6.918 1.00 . A B . 11 CYS H 1 1 17 13377 1 1 11 CYS HA H -6.168 -3.746 5.082 1.00 . A B . 11 CYS HA 1 1 17 13378 1 1 11 CYS HB2 H -6.314 -5.437 7.434 1.00 . A B . 11 CYS HB2 1 1 17 13379 1 1 11 CYS HB3 H -7.802 -4.854 6.657 1.00 . A B . 11 CYS HB3 1 1 17 13380 1 1 11 CYS N N -4.522 -4.511 6.096 1.00 . A B . 11 CYS N 1 1 17 13381 1 1 11 CYS O O -5.157 -2.747 7.945 1.00 . A B . 11 CYS O 1 1 17 13382 1 1 11 CYS SG S -6.774 -6.743 5.505 1.00 . A B . 11 CYS SG 1 1 17 13383 1 1 12 GLY C C -6.506 -0.196 8.188 1.00 . A B . 12 GLY C 1 1 17 13384 1 1 12 GLY CA C -7.548 -1.242 7.953 1.00 . A B . 12 GLY CA 1 1 17 13385 1 1 12 GLY H H -7.749 -2.447 6.240 1.00 . A B . 12 GLY H 1 1 17 13386 1 1 12 GLY HA2 H -8.443 -0.745 7.617 1.00 . A B . 12 GLY HA2 1 1 17 13387 1 1 12 GLY HA3 H -7.764 -1.725 8.894 1.00 . A B . 12 GLY HA3 1 1 17 13388 1 1 12 GLY N N -7.163 -2.263 7.003 1.00 . A B . 12 GLY N 1 1 17 13389 1 1 12 GLY O O -5.922 0.358 7.251 1.00 . A B . 12 GLY O 1 1 17 13390 1 1 13 ARG C C -3.874 0.636 9.527 1.00 . A B . 13 ARG C 1 1 17 13391 1 1 13 ARG CA C -5.288 1.027 9.859 1.00 . A B . 13 ARG CA 1 1 17 13392 1 1 13 ARG CB C -5.425 1.329 11.351 1.00 . A B . 13 ARG CB 1 1 17 13393 1 1 13 ARG CD C -6.955 3.291 11.080 1.00 . A B . 13 ARG CD 1 1 17 13394 1 1 13 ARG CG C -6.760 1.941 11.742 1.00 . A B . 13 ARG CG 1 1 17 13395 1 1 13 ARG CZ C -8.735 5.000 10.863 1.00 . A B . 13 ARG CZ 1 1 17 13396 1 1 13 ARG H H -6.663 -0.550 10.106 1.00 . A B . 13 ARG H 1 1 17 13397 1 1 13 ARG HA H -5.505 1.931 9.308 1.00 . A B . 13 ARG HA 1 1 17 13398 1 1 13 ARG HB2 H -5.297 0.412 11.904 1.00 . A B . 13 ARG HB2 1 1 17 13399 1 1 13 ARG HB3 H -4.641 2.017 11.635 1.00 . A B . 13 ARG HB3 1 1 17 13400 1 1 13 ARG HD2 H -6.165 3.949 11.408 1.00 . A B . 13 ARG HD2 1 1 17 13401 1 1 13 ARG HD3 H -6.905 3.175 10.007 1.00 . A B . 13 ARG HD3 1 1 17 13402 1 1 13 ARG HE H -8.745 3.435 12.128 1.00 . A B . 13 ARG HE 1 1 17 13403 1 1 13 ARG HG2 H -7.553 1.280 11.428 1.00 . A B . 13 ARG HG2 1 1 17 13404 1 1 13 ARG HG3 H -6.794 2.066 12.814 1.00 . A B . 13 ARG HG3 1 1 17 13405 1 1 13 ARG HH11 H -7.125 5.355 9.654 1.00 . A B . 13 ARG HH11 1 1 17 13406 1 1 13 ARG HH12 H -8.401 6.488 9.510 1.00 . A B . 13 ARG HH12 1 1 17 13407 1 1 13 ARG HH21 H -10.465 5.002 11.952 1.00 . A B . 13 ARG HH21 1 1 17 13408 1 1 13 ARG HH22 H -10.314 6.287 10.842 1.00 . A B . 13 ARG HH22 1 1 17 13409 1 1 13 ARG N N -6.226 0.020 9.439 1.00 . A B . 13 ARG N 1 1 17 13410 1 1 13 ARG NE N -8.236 3.900 11.426 1.00 . A B . 13 ARG NE 1 1 17 13411 1 1 13 ARG NH1 N -8.038 5.657 9.945 1.00 . A B . 13 ARG NH1 1 1 17 13412 1 1 13 ARG NH2 N -9.918 5.456 11.244 1.00 . A B . 13 ARG NH2 1 1 17 13413 1 1 13 ARG O O -3.064 1.495 9.252 1.00 . A B . 13 ARG O 1 1 17 13414 1 1 14 GLU C C -1.952 -0.901 7.725 1.00 . A B . 14 GLU C 1 1 17 13415 1 1 14 GLU CA C -2.235 -1.100 9.182 1.00 . A B . 14 GLU CA 1 1 17 13416 1 1 14 GLU CB C -2.006 -2.555 9.603 1.00 . A B . 14 GLU CB 1 1 17 13417 1 1 14 GLU CD C -2.821 -2.260 12.006 1.00 . A B . 14 GLU CD 1 1 17 13418 1 1 14 GLU CG C -1.732 -2.763 11.093 1.00 . A B . 14 GLU CG 1 1 17 13419 1 1 14 GLU H H -4.279 -1.362 9.537 1.00 . A B . 14 GLU H 1 1 17 13420 1 1 14 GLU HA H -1.553 -0.458 9.725 1.00 . A B . 14 GLU HA 1 1 17 13421 1 1 14 GLU HB2 H -2.895 -3.116 9.350 1.00 . A B . 14 GLU HB2 1 1 17 13422 1 1 14 GLU HB3 H -1.177 -2.954 9.039 1.00 . A B . 14 GLU HB3 1 1 17 13423 1 1 14 GLU HG2 H -1.607 -3.820 11.272 1.00 . A B . 14 GLU HG2 1 1 17 13424 1 1 14 GLU HG3 H -0.810 -2.258 11.344 1.00 . A B . 14 GLU HG3 1 1 17 13425 1 1 14 GLU N N -3.587 -0.664 9.465 1.00 . A B . 14 GLU N 1 1 17 13426 1 1 14 GLU O O -0.822 -0.627 7.324 1.00 . A B . 14 GLU O 1 1 17 13427 1 1 14 GLU OE1 O -3.819 -2.984 12.216 1.00 . A B . 14 GLU OE1 1 1 17 13428 1 1 14 GLU OE2 O -2.691 -1.133 12.547 1.00 . A B . 14 GLU OE2 1 1 17 13429 1 1 15 LEU C C -2.542 0.695 5.303 1.00 . A B . 15 LEU C 1 1 17 13430 1 1 15 LEU CA C -2.898 -0.755 5.532 1.00 . A B . 15 LEU CA 1 1 17 13431 1 1 15 LEU CB C -4.233 -1.038 4.871 1.00 . A B . 15 LEU CB 1 1 17 13432 1 1 15 LEU CD1 C -3.420 -2.449 3.058 1.00 . A B . 15 LEU CD1 1 1 17 13433 1 1 15 LEU CD2 C -5.597 -1.311 2.816 1.00 . A B . 15 LEU CD2 1 1 17 13434 1 1 15 LEU CG C -4.199 -1.210 3.376 1.00 . A B . 15 LEU CG 1 1 17 13435 1 1 15 LEU H H -3.866 -1.197 7.351 1.00 . A B . 15 LEU H 1 1 17 13436 1 1 15 LEU HA H -2.144 -1.406 5.121 1.00 . A B . 15 LEU HA 1 1 17 13437 1 1 15 LEU HB2 H -4.640 -1.938 5.309 1.00 . A B . 15 LEU HB2 1 1 17 13438 1 1 15 LEU HB3 H -4.900 -0.219 5.101 1.00 . A B . 15 LEU HB3 1 1 17 13439 1 1 15 LEU HD11 H -3.467 -2.653 1.998 1.00 . A B . 15 LEU HD11 1 1 17 13440 1 1 15 LEU HD12 H -3.868 -3.260 3.626 1.00 . A B . 15 LEU HD12 1 1 17 13441 1 1 15 LEU HD13 H -2.394 -2.335 3.370 1.00 . A B . 15 LEU HD13 1 1 17 13442 1 1 15 LEU HD21 H -6.094 -2.167 3.246 1.00 . A B . 15 LEU HD21 1 1 17 13443 1 1 15 LEU HD22 H -5.528 -1.434 1.746 1.00 . A B . 15 LEU HD22 1 1 17 13444 1 1 15 LEU HD23 H -6.147 -0.411 3.047 1.00 . A B . 15 LEU HD23 1 1 17 13445 1 1 15 LEU HG H -3.702 -0.365 2.924 1.00 . A B . 15 LEU HG 1 1 17 13446 1 1 15 LEU N N -3.002 -0.974 6.942 1.00 . A B . 15 LEU N 1 1 17 13447 1 1 15 LEU O O -1.666 1.016 4.504 1.00 . A B . 15 LEU O 1 1 17 13448 1 1 16 VAL C C -1.522 3.282 6.529 1.00 . A B . 16 VAL C 1 1 17 13449 1 1 16 VAL CA C -2.930 2.974 6.009 1.00 . A B . 16 VAL CA 1 1 17 13450 1 1 16 VAL CB C -4.000 3.793 6.786 1.00 . A B . 16 VAL CB 1 1 17 13451 1 1 16 VAL CG1 C -3.774 5.286 6.617 1.00 . A B . 16 VAL CG1 1 1 17 13452 1 1 16 VAL CG2 C -5.403 3.428 6.325 1.00 . A B . 16 VAL CG2 1 1 17 13453 1 1 16 VAL H H -3.845 1.215 6.713 1.00 . A B . 16 VAL H 1 1 17 13454 1 1 16 VAL HA H -2.966 3.250 4.964 1.00 . A B . 16 VAL HA 1 1 17 13455 1 1 16 VAL HB H -3.914 3.551 7.836 1.00 . A B . 16 VAL HB 1 1 17 13456 1 1 16 VAL HG11 H -2.813 5.549 7.030 1.00 . A B . 16 VAL HG11 1 1 17 13457 1 1 16 VAL HG12 H -4.555 5.826 7.130 1.00 . A B . 16 VAL HG12 1 1 17 13458 1 1 16 VAL HG13 H -3.796 5.534 5.566 1.00 . A B . 16 VAL HG13 1 1 17 13459 1 1 16 VAL HG21 H -6.127 4.006 6.878 1.00 . A B . 16 VAL HG21 1 1 17 13460 1 1 16 VAL HG22 H -5.576 2.375 6.495 1.00 . A B . 16 VAL HG22 1 1 17 13461 1 1 16 VAL HG23 H -5.501 3.643 5.271 1.00 . A B . 16 VAL HG23 1 1 17 13462 1 1 16 VAL N N -3.175 1.557 6.082 1.00 . A B . 16 VAL N 1 1 17 13463 1 1 16 VAL O O -0.844 4.124 5.985 1.00 . A B . 16 VAL O 1 1 17 13464 1 1 17 ARG C C 1.327 2.494 7.016 1.00 . A B . 17 ARG C 1 1 17 13465 1 1 17 ARG CA C 0.282 2.694 8.108 1.00 . A B . 17 ARG CA 1 1 17 13466 1 1 17 ARG CB C 0.537 1.703 9.261 1.00 . A B . 17 ARG CB 1 1 17 13467 1 1 17 ARG CD C -0.004 0.926 11.587 1.00 . A B . 17 ARG CD 1 1 17 13468 1 1 17 ARG CG C -0.339 1.911 10.477 1.00 . A B . 17 ARG CG 1 1 17 13469 1 1 17 ARG CZ C -0.816 1.698 13.818 1.00 . A B . 17 ARG CZ 1 1 17 13470 1 1 17 ARG H H -1.710 1.923 7.985 1.00 . A B . 17 ARG H 1 1 17 13471 1 1 17 ARG HA H 0.379 3.701 8.479 1.00 . A B . 17 ARG HA 1 1 17 13472 1 1 17 ARG HB2 H 0.339 0.709 8.888 1.00 . A B . 17 ARG HB2 1 1 17 13473 1 1 17 ARG HB3 H 1.568 1.742 9.571 1.00 . A B . 17 ARG HB3 1 1 17 13474 1 1 17 ARG HD2 H -0.020 -0.074 11.179 1.00 . A B . 17 ARG HD2 1 1 17 13475 1 1 17 ARG HD3 H 0.980 1.139 11.972 1.00 . A B . 17 ARG HD3 1 1 17 13476 1 1 17 ARG HE H -1.798 0.478 12.509 1.00 . A B . 17 ARG HE 1 1 17 13477 1 1 17 ARG HG2 H -0.190 2.915 10.847 1.00 . A B . 17 ARG HG2 1 1 17 13478 1 1 17 ARG HG3 H -1.373 1.786 10.193 1.00 . A B . 17 ARG HG3 1 1 17 13479 1 1 17 ARG HH11 H 1.115 2.284 13.448 1.00 . A B . 17 ARG HH11 1 1 17 13480 1 1 17 ARG HH12 H 0.482 2.818 14.932 1.00 . A B . 17 ARG HH12 1 1 17 13481 1 1 17 ARG HH21 H -2.692 1.317 14.558 1.00 . A B . 17 ARG HH21 1 1 17 13482 1 1 17 ARG HH22 H -1.719 2.290 15.547 1.00 . A B . 17 ARG HH22 1 1 17 13483 1 1 17 ARG N N -1.082 2.551 7.562 1.00 . A B . 17 ARG N 1 1 17 13484 1 1 17 ARG NE N -0.975 1.001 12.684 1.00 . A B . 17 ARG NE 1 1 17 13485 1 1 17 ARG NH1 N 0.333 2.312 14.079 1.00 . A B . 17 ARG NH1 1 1 17 13486 1 1 17 ARG NH2 N -1.807 1.767 14.697 1.00 . A B . 17 ARG NH2 1 1 17 13487 1 1 17 ARG O O 2.269 3.289 6.873 1.00 . A B . 17 ARG O 1 1 17 13488 1 1 18 ALA C C 1.904 2.193 4.023 1.00 . A B . 18 ALA C 1 1 17 13489 1 1 18 ALA CA C 2.031 1.144 5.132 1.00 . A B . 18 ALA CA 1 1 17 13490 1 1 18 ALA CB C 1.745 -0.245 4.598 1.00 . A B . 18 ALA CB 1 1 17 13491 1 1 18 ALA H H 0.360 0.889 6.433 1.00 . A B . 18 ALA H 1 1 17 13492 1 1 18 ALA HA H 3.041 1.169 5.515 1.00 . A B . 18 ALA HA 1 1 17 13493 1 1 18 ALA HB1 H 0.741 -0.278 4.199 1.00 . A B . 18 ALA HB1 1 1 17 13494 1 1 18 ALA HB2 H 1.838 -0.966 5.398 1.00 . A B . 18 ALA HB2 1 1 17 13495 1 1 18 ALA HB3 H 2.451 -0.483 3.816 1.00 . A B . 18 ALA HB3 1 1 17 13496 1 1 18 ALA N N 1.137 1.456 6.236 1.00 . A B . 18 ALA N 1 1 17 13497 1 1 18 ALA O O 2.909 2.611 3.417 1.00 . A B . 18 ALA O 1 1 17 13498 1 1 19 GLN C C 1.075 4.952 3.135 1.00 . A B . 19 GLN C 1 1 17 13499 1 1 19 GLN CA C 0.378 3.653 2.790 1.00 . A B . 19 GLN CA 1 1 17 13500 1 1 19 GLN CB C -1.111 3.930 2.722 1.00 . A B . 19 GLN CB 1 1 17 13501 1 1 19 GLN CD C -3.343 3.343 1.764 1.00 . A B . 19 GLN CD 1 1 17 13502 1 1 19 GLN CG C -1.935 2.880 2.025 1.00 . A B . 19 GLN CG 1 1 17 13503 1 1 19 GLN H H -0.070 2.202 4.265 1.00 . A B . 19 GLN H 1 1 17 13504 1 1 19 GLN HA H 0.718 3.314 1.817 1.00 . A B . 19 GLN HA 1 1 17 13505 1 1 19 GLN HB2 H -1.448 3.976 3.748 1.00 . A B . 19 GLN HB2 1 1 17 13506 1 1 19 GLN HB3 H -1.273 4.902 2.288 1.00 . A B . 19 GLN HB3 1 1 17 13507 1 1 19 GLN HE21 H -2.743 4.158 0.082 1.00 . A B . 19 GLN HE21 1 1 17 13508 1 1 19 GLN HE22 H -4.431 4.326 0.441 1.00 . A B . 19 GLN HE22 1 1 17 13509 1 1 19 GLN HG2 H -1.473 2.630 1.084 1.00 . A B . 19 GLN HG2 1 1 17 13510 1 1 19 GLN HG3 H -1.974 1.999 2.649 1.00 . A B . 19 GLN HG3 1 1 17 13511 1 1 19 GLN N N 0.674 2.615 3.772 1.00 . A B . 19 GLN N 1 1 17 13512 1 1 19 GLN NE2 N -3.529 4.010 0.651 1.00 . A B . 19 GLN NE2 1 1 17 13513 1 1 19 GLN O O 1.785 5.492 2.323 1.00 . A B . 19 GLN O 1 1 17 13514 1 1 19 GLN OE1 O -4.260 3.141 2.570 1.00 . A B . 19 GLN OE1 1 1 17 13515 1 1 20 ILE C C 2.948 6.684 4.661 1.00 . A B . 20 ILE C 1 1 17 13516 1 1 20 ILE CA C 1.440 6.694 4.853 1.00 . A B . 20 ILE CA 1 1 17 13517 1 1 20 ILE CB C 1.118 6.935 6.365 1.00 . A B . 20 ILE CB 1 1 17 13518 1 1 20 ILE CD1 C -0.800 7.252 8.038 1.00 . A B . 20 ILE CD1 1 1 17 13519 1 1 20 ILE CG1 C -0.390 7.090 6.582 1.00 . A B . 20 ILE CG1 1 1 17 13520 1 1 20 ILE CG2 C 1.848 8.173 6.886 1.00 . A B . 20 ILE CG2 1 1 17 13521 1 1 20 ILE H H 0.209 4.938 4.904 1.00 . A B . 20 ILE H 1 1 17 13522 1 1 20 ILE HA H 1.027 7.510 4.275 1.00 . A B . 20 ILE HA 1 1 17 13523 1 1 20 ILE HB H 1.467 6.079 6.924 1.00 . A B . 20 ILE HB 1 1 17 13524 1 1 20 ILE HD11 H -1.872 7.365 8.100 1.00 . A B . 20 ILE HD11 1 1 17 13525 1 1 20 ILE HD12 H -0.322 8.129 8.449 1.00 . A B . 20 ILE HD12 1 1 17 13526 1 1 20 ILE HD13 H -0.495 6.379 8.598 1.00 . A B . 20 ILE HD13 1 1 17 13527 1 1 20 ILE HG12 H -0.725 7.965 6.047 1.00 . A B . 20 ILE HG12 1 1 17 13528 1 1 20 ILE HG13 H -0.892 6.218 6.186 1.00 . A B . 20 ILE HG13 1 1 17 13529 1 1 20 ILE HG21 H 1.611 8.317 7.929 1.00 . A B . 20 ILE HG21 1 1 17 13530 1 1 20 ILE HG22 H 1.528 9.035 6.320 1.00 . A B . 20 ILE HG22 1 1 17 13531 1 1 20 ILE HG23 H 2.913 8.040 6.768 1.00 . A B . 20 ILE HG23 1 1 17 13532 1 1 20 ILE N N 0.841 5.444 4.344 1.00 . A B . 20 ILE N 1 1 17 13533 1 1 20 ILE O O 3.525 7.658 4.176 1.00 . A B . 20 ILE O 1 1 17 13534 1 1 21 ALA C C 5.432 5.581 3.401 1.00 . A B . 21 ALA C 1 1 17 13535 1 1 21 ALA CA C 4.996 5.396 4.851 1.00 . A B . 21 ALA CA 1 1 17 13536 1 1 21 ALA CB C 5.420 4.033 5.359 1.00 . A B . 21 ALA CB 1 1 17 13537 1 1 21 ALA H H 3.009 4.822 5.326 1.00 . A B . 21 ALA H 1 1 17 13538 1 1 21 ALA HA H 5.473 6.152 5.456 1.00 . A B . 21 ALA HA 1 1 17 13539 1 1 21 ALA HB1 H 6.493 3.935 5.283 1.00 . A B . 21 ALA HB1 1 1 17 13540 1 1 21 ALA HB2 H 4.941 3.269 4.767 1.00 . A B . 21 ALA HB2 1 1 17 13541 1 1 21 ALA HB3 H 5.121 3.925 6.391 1.00 . A B . 21 ALA HB3 1 1 17 13542 1 1 21 ALA N N 3.559 5.561 4.983 1.00 . A B . 21 ALA N 1 1 17 13543 1 1 21 ALA O O 6.379 6.305 3.120 1.00 . A B . 21 ALA O 1 1 17 13544 1 1 22 ILE C C 4.570 6.408 0.490 1.00 . A B . 22 ILE C 1 1 17 13545 1 1 22 ILE CA C 5.015 5.046 1.074 1.00 . A B . 22 ILE CA 1 1 17 13546 1 1 22 ILE CB C 4.363 3.838 0.301 1.00 . A B . 22 ILE CB 1 1 17 13547 1 1 22 ILE CD1 C 5.855 4.199 -1.784 1.00 . A B . 22 ILE CD1 1 1 17 13548 1 1 22 ILE CG1 C 5.328 3.252 -0.722 1.00 . A B . 22 ILE CG1 1 1 17 13549 1 1 22 ILE CG2 C 3.041 4.175 -0.354 1.00 . A B . 22 ILE CG2 1 1 17 13550 1 1 22 ILE H H 3.897 4.481 2.780 1.00 . A B . 22 ILE H 1 1 17 13551 1 1 22 ILE HA H 6.090 4.970 0.991 1.00 . A B . 22 ILE HA 1 1 17 13552 1 1 22 ILE HB H 4.124 3.068 1.019 1.00 . A B . 22 ILE HB 1 1 17 13553 1 1 22 ILE HD11 H 6.414 4.994 -1.314 1.00 . A B . 22 ILE HD11 1 1 17 13554 1 1 22 ILE HD12 H 5.026 4.620 -2.334 1.00 . A B . 22 ILE HD12 1 1 17 13555 1 1 22 ILE HD13 H 6.498 3.658 -2.462 1.00 . A B . 22 ILE HD13 1 1 17 13556 1 1 22 ILE HG12 H 6.180 2.880 -0.177 1.00 . A B . 22 ILE HG12 1 1 17 13557 1 1 22 ILE HG13 H 4.813 2.440 -1.210 1.00 . A B . 22 ILE HG13 1 1 17 13558 1 1 22 ILE HG21 H 3.208 4.967 -1.070 1.00 . A B . 22 ILE HG21 1 1 17 13559 1 1 22 ILE HG22 H 2.334 4.501 0.394 1.00 . A B . 22 ILE HG22 1 1 17 13560 1 1 22 ILE HG23 H 2.661 3.305 -0.867 1.00 . A B . 22 ILE HG23 1 1 17 13561 1 1 22 ILE N N 4.688 4.982 2.485 1.00 . A B . 22 ILE N 1 1 17 13562 1 1 22 ILE O O 5.128 6.916 -0.471 1.00 . A B . 22 ILE O 1 1 17 13563 1 1 23 CYS C C 4.066 9.379 1.102 1.00 . A B . 23 CYS C 1 1 17 13564 1 1 23 CYS CA C 3.070 8.289 0.702 1.00 . A B . 23 CYS CA 1 1 17 13565 1 1 23 CYS CB C 1.686 8.522 1.356 1.00 . A B . 23 CYS CB 1 1 17 13566 1 1 23 CYS H H 3.210 6.509 1.874 1.00 . A B . 23 CYS H 1 1 17 13567 1 1 23 CYS HA H 2.969 8.277 -0.373 1.00 . A B . 23 CYS HA 1 1 17 13568 1 1 23 CYS HB2 H 1.196 7.569 1.481 1.00 . A B . 23 CYS HB2 1 1 17 13569 1 1 23 CYS HB3 H 1.834 8.968 2.329 1.00 . A B . 23 CYS HB3 1 1 17 13570 1 1 23 CYS N N 3.607 7.002 1.121 1.00 . A B . 23 CYS N 1 1 17 13571 1 1 23 CYS O O 4.113 10.464 0.508 1.00 . A B . 23 CYS O 1 1 17 13572 1 1 23 CYS SG S 0.542 9.604 0.407 1.00 . A B . 23 CYS SG 1 1 17 13573 1 1 24 GLY C C 7.277 9.488 1.870 1.00 . A B . 24 GLY C 1 1 17 13574 1 1 24 GLY CA C 5.964 9.923 2.490 1.00 . A B . 24 GLY CA 1 1 17 13575 1 1 24 GLY H H 4.753 8.216 2.574 1.00 . A B . 24 GLY H 1 1 17 13576 1 1 24 GLY HA2 H 5.738 10.928 2.168 1.00 . A B . 24 GLY HA2 1 1 17 13577 1 1 24 GLY HA3 H 6.057 9.898 3.565 1.00 . A B . 24 GLY HA3 1 1 17 13578 1 1 24 GLY N N 4.895 9.056 2.083 1.00 . A B . 24 GLY N 1 1 17 13579 1 1 24 GLY O O 8.330 10.016 2.190 1.00 . A B . 24 GLY O 1 1 17 13580 1 1 25 MET C C 8.100 8.015 -1.197 1.00 . A B . 25 MET C 1 1 17 13581 1 1 25 MET CA C 8.349 8.005 0.275 1.00 . A B . 25 MET CA 1 1 17 13582 1 1 25 MET CB C 8.760 6.600 0.739 1.00 . A B . 25 MET CB 1 1 17 13583 1 1 25 MET CE C 11.451 7.215 3.827 1.00 . A B . 25 MET CE 1 1 17 13584 1 1 25 MET CG C 9.412 6.556 2.101 1.00 . A B . 25 MET CG 1 1 17 13585 1 1 25 MET H H 6.323 8.178 0.708 1.00 . A B . 25 MET H 1 1 17 13586 1 1 25 MET HA H 9.162 8.689 0.471 1.00 . A B . 25 MET HA 1 1 17 13587 1 1 25 MET HB2 H 7.880 5.974 0.767 1.00 . A B . 25 MET HB2 1 1 17 13588 1 1 25 MET HB3 H 9.452 6.189 0.018 1.00 . A B . 25 MET HB3 1 1 17 13589 1 1 25 MET HE1 H 11.625 6.156 3.954 1.00 . A B . 25 MET HE1 1 1 17 13590 1 1 25 MET HE2 H 10.682 7.538 4.513 1.00 . A B . 25 MET HE2 1 1 17 13591 1 1 25 MET HE3 H 12.364 7.757 4.026 1.00 . A B . 25 MET HE3 1 1 17 13592 1 1 25 MET HG2 H 8.717 6.943 2.831 1.00 . A B . 25 MET HG2 1 1 17 13593 1 1 25 MET HG3 H 9.656 5.531 2.340 1.00 . A B . 25 MET HG3 1 1 17 13594 1 1 25 MET N N 7.198 8.533 0.967 1.00 . A B . 25 MET N 1 1 17 13595 1 1 25 MET O O 7.838 6.991 -1.818 1.00 . A B . 25 MET O 1 1 17 13596 1 1 25 MET SD S 10.919 7.538 2.154 1.00 . A B . 25 MET SD 1 1 17 13597 1 1 26 SER C C 9.286 9.536 -3.822 1.00 . A B . 26 SER C 1 1 17 13598 1 1 26 SER CA C 7.920 9.393 -3.146 1.00 . A B . 26 SER CA 1 1 17 13599 1 1 26 SER CB C 7.057 10.626 -3.351 1.00 . A B . 26 SER CB 1 1 17 13600 1 1 26 SER H H 8.230 9.950 -1.129 1.00 . A B . 26 SER H 1 1 17 13601 1 1 26 SER HA H 7.419 8.529 -3.553 1.00 . A B . 26 SER HA 1 1 17 13602 1 1 26 SER HB2 H 7.584 11.501 -2.999 1.00 . A B . 26 SER HB2 1 1 17 13603 1 1 26 SER HB3 H 6.839 10.727 -4.403 1.00 . A B . 26 SER HB3 1 1 17 13604 1 1 26 SER HG H 5.575 9.563 -2.746 1.00 . A B . 26 SER HG 1 1 17 13605 1 1 26 SER N N 8.102 9.184 -1.730 1.00 . A B . 26 SER N 1 1 17 13606 1 1 26 SER O O 9.413 10.017 -4.946 1.00 . A B . 26 SER O 1 1 17 13607 1 1 26 SER OG O 5.825 10.490 -2.631 1.00 . A B . 26 SER OG 1 1 17 13608 1 1 27 THR C C 12.139 7.687 -3.354 1.00 . A B . 27 THR C 1 1 17 13609 1 1 27 THR CA C 11.615 9.100 -3.536 1.00 . A B . 27 THR CA 1 1 17 13610 1 1 27 THR CB C 12.438 10.094 -2.685 1.00 . A B . 27 THR CB 1 1 17 13611 1 1 27 THR CG2 C 12.151 11.535 -3.088 1.00 . A B . 27 THR CG2 1 1 17 13612 1 1 27 THR H H 10.153 8.712 -2.233 1.00 . A B . 27 THR H 1 1 17 13613 1 1 27 THR HA H 11.664 9.391 -4.575 1.00 . A B . 27 THR HA 1 1 17 13614 1 1 27 THR HB H 13.487 9.882 -2.831 1.00 . A B . 27 THR HB 1 1 17 13615 1 1 27 THR HG1 H 12.906 10.181 -0.789 1.00 . A B . 27 THR HG1 1 1 17 13616 1 1 27 THR HG21 H 12.408 11.678 -4.127 1.00 . A B . 27 THR HG21 1 1 17 13617 1 1 27 THR HG22 H 12.737 12.203 -2.476 1.00 . A B . 27 THR HG22 1 1 17 13618 1 1 27 THR HG23 H 11.101 11.745 -2.947 1.00 . A B . 27 THR HG23 1 1 17 13619 1 1 27 THR N N 10.282 9.102 -3.115 1.00 . A B . 27 THR N 1 1 17 13620 1 1 27 THR O O 11.398 6.785 -2.902 1.00 . A B . 27 THR O 1 1 17 13621 1 1 27 THR OG1 O 12.123 9.908 -1.286 1.00 . A B . 27 THR OG1 1 1 17 13622 1 1 28 TRP C C 14.656 6.038 -2.205 1.00 . A B . 28 TRP C 1 1 17 13623 1 1 28 TRP CA C 13.962 6.191 -3.565 1.00 . A B . 28 TRP CA 1 1 17 13624 1 1 28 TRP CB C 14.926 5.944 -4.749 1.00 . A B . 28 TRP CB 1 1 17 13625 1 1 28 TRP CD1 C 14.739 3.455 -5.318 1.00 . A B . 28 TRP CD1 1 1 17 13626 1 1 28 TRP CD2 C 16.748 4.055 -4.536 1.00 . A B . 28 TRP CD2 1 1 17 13627 1 1 28 TRP CE2 C 16.763 2.675 -4.803 1.00 . A B . 28 TRP CE2 1 1 17 13628 1 1 28 TRP CE3 C 17.910 4.659 -4.039 1.00 . A B . 28 TRP CE3 1 1 17 13629 1 1 28 TRP CG C 15.433 4.534 -4.860 1.00 . A B . 28 TRP CG 1 1 17 13630 1 1 28 TRP CH2 C 19.010 2.508 -4.106 1.00 . A B . 28 TRP CH2 1 1 17 13631 1 1 28 TRP CZ2 C 17.891 1.889 -4.590 1.00 . A B . 28 TRP CZ2 1 1 17 13632 1 1 28 TRP CZ3 C 19.027 3.878 -3.831 1.00 . A B . 28 TRP CZ3 1 1 17 13633 1 1 28 TRP H H 13.862 8.270 -3.968 1.00 . A B . 28 TRP H 1 1 17 13634 1 1 28 TRP HA H 13.161 5.467 -3.609 1.00 . A B . 28 TRP HA 1 1 17 13635 1 1 28 TRP HB2 H 14.415 6.178 -5.671 1.00 . A B . 28 TRP HB2 1 1 17 13636 1 1 28 TRP HB3 H 15.778 6.600 -4.646 1.00 . A B . 28 TRP HB3 1 1 17 13637 1 1 28 TRP HD1 H 13.711 3.491 -5.650 1.00 . A B . 28 TRP HD1 1 1 17 13638 1 1 28 TRP HE1 H 15.245 1.434 -5.550 1.00 . A B . 28 TRP HE1 1 1 17 13639 1 1 28 TRP HE3 H 17.939 5.717 -3.822 1.00 . A B . 28 TRP HE3 1 1 17 13640 1 1 28 TRP HH2 H 19.908 1.937 -3.924 1.00 . A B . 28 TRP HH2 1 1 17 13641 1 1 28 TRP HZ2 H 17.896 0.829 -4.797 1.00 . A B . 28 TRP HZ2 1 1 17 13642 1 1 28 TRP HZ3 H 19.931 4.325 -3.449 1.00 . A B . 28 TRP HZ3 1 1 17 13643 1 1 28 TRP N N 13.359 7.487 -3.664 1.00 . A B . 28 TRP N 1 1 17 13644 1 1 28 TRP NE1 N 15.524 2.336 -5.275 1.00 . A B . 28 TRP NE1 1 1 17 13645 1 1 28 TRP O O 15.882 6.065 -2.093 1.00 . A B . 28 TRP O 1 1 17 13646 1 1 29 SER C C 13.704 4.568 0.806 1.00 . A B . 29 SER C 1 1 17 13647 1 1 29 SER CA C 14.380 5.776 0.164 1.00 . A B . 29 SER CA 1 1 17 13648 1 1 29 SER CB C 14.160 7.043 0.994 1.00 . A B . 29 SER CB 1 1 17 13649 1 1 29 SER H H 12.897 6.093 -1.296 1.00 . A B . 29 SER H 1 1 17 13650 1 1 29 SER HA H 15.440 5.584 0.083 1.00 . A B . 29 SER HA 1 1 17 13651 1 1 29 SER HB2 H 13.100 7.212 1.115 1.00 . A B . 29 SER HB2 1 1 17 13652 1 1 29 SER HB3 H 14.618 6.920 1.965 1.00 . A B . 29 SER HB3 1 1 17 13653 1 1 29 SER HG H 14.697 8.901 0.998 1.00 . A B . 29 SER HG 1 1 17 13654 1 1 29 SER N N 13.862 5.968 -1.169 1.00 . A B . 29 SER N 1 1 17 13655 1 1 29 SER O O 12.786 4.703 1.607 1.00 . A B . 29 SER O 1 1 17 13656 1 1 29 SER OG O 14.738 8.183 0.354 1.00 . A B . 29 SER OG 1 1 17 13657 1 1 30 NH2 HN1 H 14.864 3.369 -0.235 1.00 . A B . 30 NH2 HN1 1 1 17 13658 1 1 30 NH2 HN2 H 13.676 2.583 0.741 1.00 . A B . 30 NH2 HN2 1 1 17 13659 1 1 30 NH2 N N 14.121 3.394 0.404 1.00 . A B . 30 NH2 N 1 1 17 13660 2 2 1 PCA C C -12.735 3.453 -5.400 1.00 . B A . 1 PCA C 1 1 17 13661 2 2 1 PCA CA C -14.010 4.220 -5.160 1.00 . B A . 1 PCA CA 1 1 17 13662 2 2 1 PCA CB C -15.192 3.483 -5.744 1.00 . B A . 1 PCA CB 1 1 17 13663 2 2 1 PCA CD C -14.684 5.479 -6.947 1.00 . B A . 1 PCA CD 1 1 17 13664 2 2 1 PCA CG C -15.674 4.326 -6.908 1.00 . B A . 1 PCA CG 1 1 17 13665 2 2 1 PCA HA H -14.109 4.363 -4.098 1.00 . B A . 1 PCA HA 1 1 17 13666 2 2 1 PCA HB2 H -14.886 2.497 -6.093 1.00 . B A . 1 PCA HB2 1 1 17 13667 2 2 1 PCA HB3 H -15.978 3.392 -4.994 1.00 . B A . 1 PCA HB3 1 1 17 13668 2 2 1 PCA HG2 H -15.645 3.745 -7.829 1.00 . B A . 1 PCA HG2 1 1 17 13669 2 2 1 PCA HG3 H -16.673 4.719 -6.722 1.00 . B A . 1 PCA HG3 1 1 17 13670 2 2 1 PCA N N -13.949 5.523 -5.845 1.00 . B A . 1 PCA N 1 1 17 13671 2 2 1 PCA O O -12.648 2.237 -5.207 1.00 . B A . 1 PCA O 1 1 17 13672 2 2 1 PCA OE O -14.580 6.259 -7.895 1.00 . B A . 1 PCA OE 1 1 17 13673 2 2 2 LEU C C -9.652 3.280 -4.878 1.00 . B A . 2 LEU C 1 1 17 13674 2 2 2 LEU CA C -10.447 3.665 -6.114 1.00 . B A . 2 LEU CA 1 1 17 13675 2 2 2 LEU CB C -9.690 4.662 -6.988 1.00 . B A . 2 LEU CB 1 1 17 13676 2 2 2 LEU CD1 C -9.573 6.091 -9.054 1.00 . B A . 2 LEU CD1 1 1 17 13677 2 2 2 LEU CD2 C -10.569 3.806 -9.196 1.00 . B A . 2 LEU CD2 1 1 17 13678 2 2 2 LEU CG C -10.374 5.037 -8.315 1.00 . B A . 2 LEU CG 1 1 17 13679 2 2 2 LEU H H -11.953 5.156 -5.736 1.00 . B A . 2 LEU H 1 1 17 13680 2 2 2 LEU HA H -10.620 2.765 -6.682 1.00 . B A . 2 LEU HA 1 1 17 13681 2 2 2 LEU HB2 H -9.528 5.563 -6.416 1.00 . B A . 2 LEU HB2 1 1 17 13682 2 2 2 LEU HB3 H -8.733 4.222 -7.220 1.00 . B A . 2 LEU HB3 1 1 17 13683 2 2 2 LEU HD11 H -10.067 6.330 -9.985 1.00 . B A . 2 LEU HD11 1 1 17 13684 2 2 2 LEU HD12 H -8.582 5.715 -9.258 1.00 . B A . 2 LEU HD12 1 1 17 13685 2 2 2 LEU HD13 H -9.503 6.980 -8.446 1.00 . B A . 2 LEU HD13 1 1 17 13686 2 2 2 LEU HD21 H -11.222 3.102 -8.702 1.00 . B A . 2 LEU HD21 1 1 17 13687 2 2 2 LEU HD22 H -9.612 3.343 -9.387 1.00 . B A . 2 LEU HD22 1 1 17 13688 2 2 2 LEU HD23 H -11.013 4.108 -10.133 1.00 . B A . 2 LEU HD23 1 1 17 13689 2 2 2 LEU HG H -11.347 5.454 -8.099 1.00 . B A . 2 LEU HG 1 1 17 13690 2 2 2 LEU N N -11.743 4.196 -5.753 1.00 . B A . 2 LEU N 1 1 17 13691 2 2 2 LEU O O -8.983 2.246 -4.852 1.00 . B A . 2 LEU O 1 1 17 13692 2 2 3 TYR C C -9.755 2.578 -1.933 1.00 . B A . 3 TYR C 1 1 17 13693 2 2 3 TYR CA C -9.112 3.771 -2.579 1.00 . B A . 3 TYR CA 1 1 17 13694 2 2 3 TYR CB C -9.142 4.952 -1.633 1.00 . B A . 3 TYR CB 1 1 17 13695 2 2 3 TYR CD1 C -6.857 5.974 -1.449 1.00 . B A . 3 TYR CD1 1 1 17 13696 2 2 3 TYR CD2 C -8.478 7.074 -2.785 1.00 . B A . 3 TYR CD2 1 1 17 13697 2 2 3 TYR CE1 C -5.939 6.952 -1.749 1.00 . B A . 3 TYR CE1 1 1 17 13698 2 2 3 TYR CE2 C -7.571 8.054 -3.092 1.00 . B A . 3 TYR CE2 1 1 17 13699 2 2 3 TYR CG C -8.143 6.021 -1.962 1.00 . B A . 3 TYR CG 1 1 17 13700 2 2 3 TYR CZ C -6.302 7.990 -2.573 1.00 . B A . 3 TYR CZ 1 1 17 13701 2 2 3 TYR H H -10.330 4.877 -3.930 1.00 . B A . 3 TYR H 1 1 17 13702 2 2 3 TYR HA H -8.085 3.524 -2.803 1.00 . B A . 3 TYR HA 1 1 17 13703 2 2 3 TYR HB2 H -10.123 5.399 -1.689 1.00 . B A . 3 TYR HB2 1 1 17 13704 2 2 3 TYR HB3 H -8.988 4.592 -0.631 1.00 . B A . 3 TYR HB3 1 1 17 13705 2 2 3 TYR HD1 H -6.579 5.152 -0.805 1.00 . B A . 3 TYR HD1 1 1 17 13706 2 2 3 TYR HD2 H -9.476 7.122 -3.190 1.00 . B A . 3 TYR HD2 1 1 17 13707 2 2 3 TYR HE1 H -4.939 6.901 -1.341 1.00 . B A . 3 TYR HE1 1 1 17 13708 2 2 3 TYR HE2 H -7.860 8.869 -3.739 1.00 . B A . 3 TYR HE2 1 1 17 13709 2 2 3 TYR HH H -5.800 9.808 -2.599 1.00 . B A . 3 TYR HH 1 1 17 13710 2 2 3 TYR N N -9.769 4.075 -3.840 1.00 . B A . 3 TYR N 1 1 17 13711 2 2 3 TYR O O -9.070 1.697 -1.400 1.00 . B A . 3 TYR O 1 1 17 13712 2 2 3 TYR OH O -5.396 8.975 -2.872 1.00 . B A . 3 TYR OH 1 1 17 13713 2 2 4 SER C C -11.502 0.165 -2.264 1.00 . B A . 4 SER C 1 1 17 13714 2 2 4 SER CA C -11.853 1.456 -1.492 1.00 . B A . 4 SER CA 1 1 17 13715 2 2 4 SER CB C -13.328 1.802 -1.651 1.00 . B A . 4 SER CB 1 1 17 13716 2 2 4 SER H H -11.503 3.381 -2.286 1.00 . B A . 4 SER H 1 1 17 13717 2 2 4 SER HA H -11.637 1.311 -0.446 1.00 . B A . 4 SER HA 1 1 17 13718 2 2 4 SER HB2 H -13.570 1.874 -2.701 1.00 . B A . 4 SER HB2 1 1 17 13719 2 2 4 SER HB3 H -13.935 1.037 -1.191 1.00 . B A . 4 SER HB3 1 1 17 13720 2 2 4 SER HG H -14.534 3.253 -1.215 1.00 . B A . 4 SER HG 1 1 17 13721 2 2 4 SER N N -11.057 2.565 -1.968 1.00 . B A . 4 SER N 1 1 17 13722 2 2 4 SER O O -11.487 -0.928 -1.686 1.00 . B A . 4 SER O 1 1 17 13723 2 2 4 SER OG O -13.610 3.050 -1.026 1.00 . B A . 4 SER OG 1 1 17 13724 2 2 5 ALA C C -9.438 -1.340 -3.925 1.00 . B A . 5 ALA C 1 1 17 13725 2 2 5 ALA CA C -10.798 -0.841 -4.382 1.00 . B A . 5 ALA CA 1 1 17 13726 2 2 5 ALA CB C -10.753 -0.462 -5.858 1.00 . B A . 5 ALA CB 1 1 17 13727 2 2 5 ALA H H -11.295 1.179 -3.985 1.00 . B A . 5 ALA H 1 1 17 13728 2 2 5 ALA HA H -11.524 -1.628 -4.244 1.00 . B A . 5 ALA HA 1 1 17 13729 2 2 5 ALA HB1 H -11.720 -0.100 -6.173 1.00 . B A . 5 ALA HB1 1 1 17 13730 2 2 5 ALA HB2 H -10.487 -1.330 -6.444 1.00 . B A . 5 ALA HB2 1 1 17 13731 2 2 5 ALA HB3 H -10.013 0.311 -6.006 1.00 . B A . 5 ALA HB3 1 1 17 13732 2 2 5 ALA N N -11.211 0.297 -3.563 1.00 . B A . 5 ALA N 1 1 17 13733 2 2 5 ALA O O -9.224 -2.546 -3.788 1.00 . B A . 5 ALA O 1 1 17 13734 2 2 6 LEU C C -7.289 -1.473 -1.863 1.00 . B A . 6 LEU C 1 1 17 13735 2 2 6 LEU CA C -7.192 -0.693 -3.173 1.00 . B A . 6 LEU CA 1 1 17 13736 2 2 6 LEU CB C -6.392 0.612 -2.950 1.00 . B A . 6 LEU CB 1 1 17 13737 2 2 6 LEU CD1 C -4.131 -0.238 -3.600 1.00 . B A . 6 LEU CD1 1 1 17 13738 2 2 6 LEU CD2 C -4.301 1.780 -2.113 1.00 . B A . 6 LEU CD2 1 1 17 13739 2 2 6 LEU CG C -4.932 0.439 -2.507 1.00 . B A . 6 LEU CG 1 1 17 13740 2 2 6 LEU H H -8.772 0.541 -3.854 1.00 . B A . 6 LEU H 1 1 17 13741 2 2 6 LEU HA H -6.685 -1.302 -3.908 1.00 . B A . 6 LEU HA 1 1 17 13742 2 2 6 LEU HB2 H -6.400 1.173 -3.873 1.00 . B A . 6 LEU HB2 1 1 17 13743 2 2 6 LEU HB3 H -6.905 1.192 -2.197 1.00 . B A . 6 LEU HB3 1 1 17 13744 2 2 6 LEU HD11 H -4.182 0.355 -4.501 1.00 . B A . 6 LEU HD11 1 1 17 13745 2 2 6 LEU HD12 H -4.534 -1.222 -3.793 1.00 . B A . 6 LEU HD12 1 1 17 13746 2 2 6 LEU HD13 H -3.100 -0.334 -3.297 1.00 . B A . 6 LEU HD13 1 1 17 13747 2 2 6 LEU HD21 H -4.296 2.447 -2.962 1.00 . B A . 6 LEU HD21 1 1 17 13748 2 2 6 LEU HD22 H -3.283 1.624 -1.775 1.00 . B A . 6 LEU HD22 1 1 17 13749 2 2 6 LEU HD23 H -4.864 2.226 -1.307 1.00 . B A . 6 LEU HD23 1 1 17 13750 2 2 6 LEU HG H -4.914 -0.214 -1.646 1.00 . B A . 6 LEU HG 1 1 17 13751 2 2 6 LEU N N -8.533 -0.394 -3.670 1.00 . B A . 6 LEU N 1 1 17 13752 2 2 6 LEU O O -6.699 -2.542 -1.728 1.00 . B A . 6 LEU O 1 1 17 13753 2 2 7 ALA C C -8.800 -3.001 0.197 1.00 . B A . 7 ALA C 1 1 17 13754 2 2 7 ALA CA C -8.308 -1.576 0.372 1.00 . B A . 7 ALA CA 1 1 17 13755 2 2 7 ALA CB C -9.317 -0.770 1.176 1.00 . B A . 7 ALA CB 1 1 17 13756 2 2 7 ALA H H -8.544 -0.104 -1.144 1.00 . B A . 7 ALA H 1 1 17 13757 2 2 7 ALA HA H -7.369 -1.588 0.905 1.00 . B A . 7 ALA HA 1 1 17 13758 2 2 7 ALA HB1 H -9.466 -1.240 2.137 1.00 . B A . 7 ALA HB1 1 1 17 13759 2 2 7 ALA HB2 H -10.255 -0.734 0.643 1.00 . B A . 7 ALA HB2 1 1 17 13760 2 2 7 ALA HB3 H -8.946 0.233 1.320 1.00 . B A . 7 ALA HB3 1 1 17 13761 2 2 7 ALA N N -8.089 -0.949 -0.933 1.00 . B A . 7 ALA N 1 1 17 13762 2 2 7 ALA O O -8.264 -3.941 0.795 1.00 . B A . 7 ALA O 1 1 17 13763 2 2 8 ASN C C -9.325 -5.392 -1.557 1.00 . B A . 8 ASN C 1 1 17 13764 2 2 8 ASN CA C -10.378 -4.431 -0.994 1.00 . B A . 8 ASN CA 1 1 17 13765 2 2 8 ASN CB C -11.550 -4.219 -1.976 1.00 . B A . 8 ASN CB 1 1 17 13766 2 2 8 ASN CG C -12.155 -5.498 -2.524 1.00 . B A . 8 ASN CG 1 1 17 13767 2 2 8 ASN H H -10.148 -2.340 -1.098 1.00 . B A . 8 ASN H 1 1 17 13768 2 2 8 ASN HA H -10.767 -4.852 -0.079 1.00 . B A . 8 ASN HA 1 1 17 13769 2 2 8 ASN HB2 H -12.334 -3.677 -1.468 1.00 . B A . 8 ASN HB2 1 1 17 13770 2 2 8 ASN HB3 H -11.200 -3.621 -2.805 1.00 . B A . 8 ASN HB3 1 1 17 13771 2 2 8 ASN HD21 H -11.115 -5.313 -4.195 1.00 . B A . 8 ASN HD21 1 1 17 13772 2 2 8 ASN HD22 H -12.162 -6.671 -4.100 1.00 . B A . 8 ASN HD22 1 1 17 13773 2 2 8 ASN N N -9.790 -3.145 -0.663 1.00 . B A . 8 ASN N 1 1 17 13774 2 2 8 ASN ND2 N -11.767 -5.862 -3.707 1.00 . B A . 8 ASN ND2 1 1 17 13775 2 2 8 ASN O O -9.263 -6.542 -1.171 1.00 . B A . 8 ASN O 1 1 17 13776 2 2 8 ASN OD1 O -13.025 -6.106 -1.908 1.00 . B A . 8 ASN OD1 1 1 17 13777 2 2 9 LYS C C -6.384 -6.155 -2.023 1.00 . B A . 9 LYS C 1 1 17 13778 2 2 9 LYS CA C -7.422 -5.708 -3.024 1.00 . B A . 9 LYS CA 1 1 17 13779 2 2 9 LYS CB C -6.775 -5.006 -4.223 1.00 . B A . 9 LYS CB 1 1 17 13780 2 2 9 LYS CD C -7.040 -6.775 -5.965 1.00 . B A . 9 LYS CD 1 1 17 13781 2 2 9 LYS CE C -7.704 -7.190 -7.261 1.00 . B A . 9 LYS CE 1 1 17 13782 2 2 9 LYS CG C -7.400 -5.348 -5.562 1.00 . B A . 9 LYS CG 1 1 17 13783 2 2 9 LYS H H -8.560 -3.955 -2.696 1.00 . B A . 9 LYS H 1 1 17 13784 2 2 9 LYS HA H -7.886 -6.618 -3.368 1.00 . B A . 9 LYS HA 1 1 17 13785 2 2 9 LYS HB2 H -6.866 -3.940 -4.077 1.00 . B A . 9 LYS HB2 1 1 17 13786 2 2 9 LYS HB3 H -5.726 -5.258 -4.257 1.00 . B A . 9 LYS HB3 1 1 17 13787 2 2 9 LYS HD2 H -5.970 -6.838 -6.095 1.00 . B A . 9 LYS HD2 1 1 17 13788 2 2 9 LYS HD3 H -7.339 -7.456 -5.182 1.00 . B A . 9 LYS HD3 1 1 17 13789 2 2 9 LYS HE2 H -7.442 -6.475 -8.027 1.00 . B A . 9 LYS HE2 1 1 17 13790 2 2 9 LYS HE3 H -7.340 -8.167 -7.541 1.00 . B A . 9 LYS HE3 1 1 17 13791 2 2 9 LYS HG2 H -8.474 -5.260 -5.482 1.00 . B A . 9 LYS HG2 1 1 17 13792 2 2 9 LYS HG3 H -7.030 -4.666 -6.313 1.00 . B A . 9 LYS HG3 1 1 17 13793 2 2 9 LYS HZ1 H -9.568 -6.300 -6.931 1.00 . B A . 9 LYS HZ1 1 1 17 13794 2 2 9 LYS HZ2 H -9.458 -7.890 -6.382 1.00 . B A . 9 LYS HZ2 1 1 17 13795 2 2 9 LYS HZ3 H -9.594 -7.579 -8.020 1.00 . B A . 9 LYS HZ3 1 1 17 13796 2 2 9 LYS N N -8.480 -4.899 -2.432 1.00 . B A . 9 LYS N 1 1 17 13797 2 2 9 LYS NZ N -9.168 -7.235 -7.137 1.00 . B A . 9 LYS NZ 1 1 17 13798 2 2 9 LYS O O -6.112 -7.353 -1.916 1.00 . B A . 9 LYS O 1 1 17 13799 2 2 10 CYS C C -5.291 -6.437 0.786 1.00 . B A . 10 CYS C 1 1 17 13800 2 2 10 CYS CA C -4.785 -5.535 -0.325 1.00 . B A . 10 CYS CA 1 1 17 13801 2 2 10 CYS CB C -4.253 -4.258 0.294 1.00 . B A . 10 CYS CB 1 1 17 13802 2 2 10 CYS H H -6.136 -4.296 -1.377 1.00 . B A . 10 CYS H 1 1 17 13803 2 2 10 CYS HA H -3.975 -6.051 -0.827 1.00 . B A . 10 CYS HA 1 1 17 13804 2 2 10 CYS HB2 H -5.014 -3.845 0.938 1.00 . B A . 10 CYS HB2 1 1 17 13805 2 2 10 CYS HB3 H -3.384 -4.501 0.888 1.00 . B A . 10 CYS HB3 1 1 17 13806 2 2 10 CYS N N -5.841 -5.232 -1.283 1.00 . B A . 10 CYS N 1 1 17 13807 2 2 10 CYS O O -4.568 -7.310 1.258 1.00 . B A . 10 CYS O 1 1 17 13808 2 2 10 CYS SG S -3.779 -2.961 -0.885 1.00 . B A . 10 CYS SG 1 1 17 13809 2 2 11 CYS C C -7.465 -8.402 1.797 1.00 . B A . 11 CYS C 1 1 17 13810 2 2 11 CYS CA C -7.063 -7.007 2.270 1.00 . B A . 11 CYS CA 1 1 17 13811 2 2 11 CYS CB C -8.244 -6.278 2.913 1.00 . B A . 11 CYS CB 1 1 17 13812 2 2 11 CYS H H -7.082 -5.557 0.754 1.00 . B A . 11 CYS H 1 1 17 13813 2 2 11 CYS HA H -6.279 -7.113 3.005 1.00 . B A . 11 CYS HA 1 1 17 13814 2 2 11 CYS HB2 H -8.028 -5.221 2.923 1.00 . B A . 11 CYS HB2 1 1 17 13815 2 2 11 CYS HB3 H -9.128 -6.450 2.317 1.00 . B A . 11 CYS HB3 1 1 17 13816 2 2 11 CYS N N -6.526 -6.245 1.183 1.00 . B A . 11 CYS N 1 1 17 13817 2 2 11 CYS O O -7.389 -9.372 2.563 1.00 . B A . 11 CYS O 1 1 17 13818 2 2 11 CYS SG S -8.603 -6.811 4.620 1.00 . B A . 11 CYS SG 1 1 17 13819 2 2 12 HIS C C -7.066 -10.641 -0.414 1.00 . B A . 12 HIS C 1 1 17 13820 2 2 12 HIS CA C -8.256 -9.821 -0.002 1.00 . B A . 12 HIS CA 1 1 17 13821 2 2 12 HIS CB C -9.226 -9.694 -1.180 1.00 . B A . 12 HIS CB 1 1 17 13822 2 2 12 HIS CD2 C -11.085 -8.650 0.275 1.00 . B A . 12 HIS CD2 1 1 17 13823 2 2 12 HIS CE1 C -12.809 -9.210 -0.904 1.00 . B A . 12 HIS CE1 1 1 17 13824 2 2 12 HIS CG C -10.627 -9.340 -0.791 1.00 . B A . 12 HIS CG 1 1 17 13825 2 2 12 HIS H H -7.898 -7.731 -0.059 1.00 . B A . 12 HIS H 1 1 17 13826 2 2 12 HIS HA H -8.761 -10.346 0.795 1.00 . B A . 12 HIS HA 1 1 17 13827 2 2 12 HIS HB2 H -8.865 -8.916 -1.837 1.00 . B A . 12 HIS HB2 1 1 17 13828 2 2 12 HIS HB3 H -9.244 -10.627 -1.721 1.00 . B A . 12 HIS HB3 1 1 17 13829 2 2 12 HIS HD1 H -11.752 -10.193 -2.366 1.00 . B A . 12 HIS HD1 1 1 17 13830 2 2 12 HIS HD2 H -10.458 -8.225 1.046 1.00 . B A . 12 HIS HD2 1 1 17 13831 2 2 12 HIS HE1 H -13.822 -9.337 -1.253 1.00 . B A . 12 HIS HE1 1 1 17 13832 2 2 12 HIS N N -7.861 -8.522 0.529 1.00 . B A . 12 HIS N 1 1 17 13833 2 2 12 HIS ND1 N -11.735 -9.685 -1.526 1.00 . B A . 12 HIS ND1 1 1 17 13834 2 2 12 HIS NE2 N -12.470 -8.570 0.204 1.00 . B A . 12 HIS NE2 1 1 17 13835 2 2 12 HIS O O -6.861 -11.746 0.081 1.00 . B A . 12 HIS O 1 1 17 13836 2 2 13 VAL C C -3.825 -10.191 -1.526 1.00 . B A . 13 VAL C 1 1 17 13837 2 2 13 VAL CA C -5.153 -10.844 -1.845 1.00 . B A . 13 VAL CA 1 1 17 13838 2 2 13 VAL CB C -5.306 -11.052 -3.375 1.00 . B A . 13 VAL CB 1 1 17 13839 2 2 13 VAL CG1 C -6.425 -12.037 -3.661 1.00 . B A . 13 VAL CG1 1 1 17 13840 2 2 13 VAL CG2 C -5.598 -9.738 -4.104 1.00 . B A . 13 VAL CG2 1 1 17 13841 2 2 13 VAL H H -6.414 -9.165 -1.554 1.00 . B A . 13 VAL H 1 1 17 13842 2 2 13 VAL HA H -5.160 -11.817 -1.375 1.00 . B A . 13 VAL HA 1 1 17 13843 2 2 13 VAL HB H -4.351 -11.421 -3.710 1.00 . B A . 13 VAL HB 1 1 17 13844 2 2 13 VAL HG11 H -7.338 -11.654 -3.225 1.00 . B A . 13 VAL HG11 1 1 17 13845 2 2 13 VAL HG12 H -6.191 -12.996 -3.223 1.00 . B A . 13 VAL HG12 1 1 17 13846 2 2 13 VAL HG13 H -6.557 -12.143 -4.727 1.00 . B A . 13 VAL HG13 1 1 17 13847 2 2 13 VAL HG21 H -6.512 -9.310 -3.718 1.00 . B A . 13 VAL HG21 1 1 17 13848 2 2 13 VAL HG22 H -5.706 -9.925 -5.162 1.00 . B A . 13 VAL HG22 1 1 17 13849 2 2 13 VAL HG23 H -4.784 -9.048 -3.943 1.00 . B A . 13 VAL HG23 1 1 17 13850 2 2 13 VAL N N -6.270 -10.102 -1.291 1.00 . B A . 13 VAL N 1 1 17 13851 2 2 13 VAL O O -2.830 -10.860 -1.198 1.00 . B A . 13 VAL O 1 1 17 13852 2 2 14 GLY C C -2.454 -7.152 -2.458 1.00 . B A . 14 GLY C 1 1 17 13853 2 2 14 GLY CA C -2.672 -8.132 -1.364 1.00 . B A . 14 GLY CA 1 1 17 13854 2 2 14 GLY H H -4.628 -8.485 -1.983 1.00 . B A . 14 GLY H 1 1 17 13855 2 2 14 GLY HA2 H -2.807 -7.610 -0.429 1.00 . B A . 14 GLY HA2 1 1 17 13856 2 2 14 GLY HA3 H -1.796 -8.746 -1.269 1.00 . B A . 14 GLY HA3 1 1 17 13857 2 2 14 GLY N N -3.817 -8.917 -1.641 1.00 . B A . 14 GLY N 1 1 17 13858 2 2 14 GLY O O -3.194 -7.156 -3.452 1.00 . B A . 14 GLY O 1 1 17 13859 2 2 15 CYS C C 0.247 -4.949 -3.217 1.00 . B A . 15 CYS C 1 1 17 13860 2 2 15 CYS CA C -1.192 -5.319 -3.289 1.00 . B A . 15 CYS CA 1 1 17 13861 2 2 15 CYS CB C -2.040 -4.088 -3.052 1.00 . B A . 15 CYS CB 1 1 17 13862 2 2 15 CYS H H -0.926 -6.361 -1.499 1.00 . B A . 15 CYS H 1 1 17 13863 2 2 15 CYS HA H -1.419 -5.713 -4.268 1.00 . B A . 15 CYS HA 1 1 17 13864 2 2 15 CYS HB2 H -1.736 -3.320 -3.748 1.00 . B A . 15 CYS HB2 1 1 17 13865 2 2 15 CYS HB3 H -3.074 -4.335 -3.227 1.00 . B A . 15 CYS HB3 1 1 17 13866 2 2 15 CYS N N -1.487 -6.321 -2.305 1.00 . B A . 15 CYS N 1 1 17 13867 2 2 15 CYS O O 0.920 -5.208 -2.200 1.00 . B A . 15 CYS O 1 1 17 13868 2 2 15 CYS SG S -1.880 -3.416 -1.373 1.00 . B A . 15 CYS SG 1 1 17 13869 2 2 16 THR C C 2.200 -2.610 -3.584 1.00 . B A . 16 THR C 1 1 17 13870 2 2 16 THR CA C 2.066 -3.933 -4.298 1.00 . B A . 16 THR CA 1 1 17 13871 2 2 16 THR CB C 2.610 -3.823 -5.740 1.00 . B A . 16 THR CB 1 1 17 13872 2 2 16 THR CG2 C 2.708 -5.191 -6.390 1.00 . B A . 16 THR CG2 1 1 17 13873 2 2 16 THR H H 0.169 -4.186 -5.043 1.00 . B A . 16 THR H 1 1 17 13874 2 2 16 THR HA H 2.655 -4.666 -3.771 1.00 . B A . 16 THR HA 1 1 17 13875 2 2 16 THR HB H 3.596 -3.385 -5.697 1.00 . B A . 16 THR HB 1 1 17 13876 2 2 16 THR HG1 H 1.240 -3.529 -7.109 1.00 . B A . 16 THR HG1 1 1 17 13877 2 2 16 THR HG21 H 3.393 -5.809 -5.829 1.00 . B A . 16 THR HG21 1 1 17 13878 2 2 16 THR HG22 H 3.070 -5.081 -7.402 1.00 . B A . 16 THR HG22 1 1 17 13879 2 2 16 THR HG23 H 1.733 -5.655 -6.402 1.00 . B A . 16 THR HG23 1 1 17 13880 2 2 16 THR N N 0.735 -4.361 -4.263 1.00 . B A . 16 THR N 1 1 17 13881 2 2 16 THR O O 1.238 -1.845 -3.436 1.00 . B A . 16 THR O 1 1 17 13882 2 2 16 THR OG1 O 1.768 -2.975 -6.521 1.00 . B A . 16 THR OG1 1 1 17 13883 2 2 17 LYS C C 3.539 0.060 -3.413 1.00 . B A . 17 LYS C 1 1 17 13884 2 2 17 LYS CA C 3.686 -1.119 -2.451 1.00 . B A . 17 LYS CA 1 1 17 13885 2 2 17 LYS CB C 5.087 -1.277 -1.856 1.00 . B A . 17 LYS CB 1 1 17 13886 2 2 17 LYS CD C 4.501 0.009 0.262 1.00 . B A . 17 LYS CD 1 1 17 13887 2 2 17 LYS CE C 4.255 -1.205 1.155 1.00 . B A . 17 LYS CE 1 1 17 13888 2 2 17 LYS CG C 5.529 -0.233 -0.855 1.00 . B A . 17 LYS CG 1 1 17 13889 2 2 17 LYS H H 4.037 -3.049 -3.297 1.00 . B A . 17 LYS H 1 1 17 13890 2 2 17 LYS HA H 2.958 -0.932 -1.671 1.00 . B A . 17 LYS HA 1 1 17 13891 2 2 17 LYS HB2 H 5.132 -2.249 -1.397 1.00 . B A . 17 LYS HB2 1 1 17 13892 2 2 17 LYS HB3 H 5.807 -1.274 -2.663 1.00 . B A . 17 LYS HB3 1 1 17 13893 2 2 17 LYS HD2 H 4.874 0.812 0.880 1.00 . B A . 17 LYS HD2 1 1 17 13894 2 2 17 LYS HD3 H 3.572 0.328 -0.186 1.00 . B A . 17 LYS HD3 1 1 17 13895 2 2 17 LYS HE2 H 3.418 -0.993 1.804 1.00 . B A . 17 LYS HE2 1 1 17 13896 2 2 17 LYS HE3 H 4.011 -2.053 0.531 1.00 . B A . 17 LYS HE3 1 1 17 13897 2 2 17 LYS HG2 H 6.432 -0.635 -0.418 1.00 . B A . 17 LYS HG2 1 1 17 13898 2 2 17 LYS HG3 H 5.754 0.687 -1.373 1.00 . B A . 17 LYS HG3 1 1 17 13899 2 2 17 LYS HZ1 H 6.237 -1.869 1.423 1.00 . B A . 17 LYS HZ1 1 1 17 13900 2 2 17 LYS HZ2 H 5.184 -2.301 2.651 1.00 . B A . 17 LYS HZ2 1 1 17 13901 2 2 17 LYS HZ3 H 5.734 -0.728 2.561 1.00 . B A . 17 LYS HZ3 1 1 17 13902 2 2 17 LYS N N 3.366 -2.346 -3.150 1.00 . B A . 17 LYS N 1 1 17 13903 2 2 17 LYS NZ N 5.420 -1.537 1.988 1.00 . B A . 17 LYS NZ 1 1 17 13904 2 2 17 LYS O O 3.096 1.139 -3.028 1.00 . B A . 17 LYS O 1 1 17 13905 2 2 18 ARG C C 2.081 0.990 -5.989 1.00 . B A . 18 ARG C 1 1 17 13906 2 2 18 ARG CA C 3.575 0.796 -5.731 1.00 . B A . 18 ARG CA 1 1 17 13907 2 2 18 ARG CB C 4.285 0.476 -7.039 1.00 . B A . 18 ARG CB 1 1 17 13908 2 2 18 ARG CD C 6.373 0.527 -8.413 1.00 . B A . 18 ARG CD 1 1 17 13909 2 2 18 ARG CG C 5.772 0.760 -7.036 1.00 . B A . 18 ARG CG 1 1 17 13910 2 2 18 ARG CZ C 5.587 -1.297 -9.936 1.00 . B A . 18 ARG CZ 1 1 17 13911 2 2 18 ARG H H 4.211 -1.071 -4.876 1.00 . B A . 18 ARG H 1 1 17 13912 2 2 18 ARG HA H 3.962 1.728 -5.344 1.00 . B A . 18 ARG HA 1 1 17 13913 2 2 18 ARG HB2 H 4.146 -0.574 -7.256 1.00 . B A . 18 ARG HB2 1 1 17 13914 2 2 18 ARG HB3 H 3.827 1.053 -7.828 1.00 . B A . 18 ARG HB3 1 1 17 13915 2 2 18 ARG HD2 H 5.870 1.165 -9.124 1.00 . B A . 18 ARG HD2 1 1 17 13916 2 2 18 ARG HD3 H 7.421 0.788 -8.382 1.00 . B A . 18 ARG HD3 1 1 17 13917 2 2 18 ARG HE H 6.712 -1.527 -8.279 1.00 . B A . 18 ARG HE 1 1 17 13918 2 2 18 ARG HG2 H 5.935 1.787 -6.747 1.00 . B A . 18 ARG HG2 1 1 17 13919 2 2 18 ARG HG3 H 6.253 0.104 -6.326 1.00 . B A . 18 ARG HG3 1 1 17 13920 2 2 18 ARG HH11 H 4.867 0.543 -10.530 1.00 . B A . 18 ARG HH11 1 1 17 13921 2 2 18 ARG HH12 H 4.430 -0.766 -11.525 1.00 . B A . 18 ARG HH12 1 1 17 13922 2 2 18 ARG HH21 H 6.121 -3.263 -9.705 1.00 . B A . 18 ARG HH21 1 1 17 13923 2 2 18 ARG HH22 H 5.114 -2.944 -11.042 1.00 . B A . 18 ARG HH22 1 1 17 13924 2 2 18 ARG N N 3.819 -0.194 -4.679 1.00 . B A . 18 ARG N 1 1 17 13925 2 2 18 ARG NE N 6.242 -0.869 -8.844 1.00 . B A . 18 ARG NE 1 1 17 13926 2 2 18 ARG NH1 N 4.919 -0.444 -10.709 1.00 . B A . 18 ARG NH1 1 1 17 13927 2 2 18 ARG NH2 N 5.615 -2.584 -10.248 1.00 . B A . 18 ARG NH2 1 1 17 13928 2 2 18 ARG O O 1.665 2.023 -6.512 1.00 . B A . 18 ARG O 1 1 17 13929 2 2 19 SER C C -0.698 1.064 -4.787 1.00 . B A . 19 SER C 1 1 17 13930 2 2 19 SER CA C -0.139 0.063 -5.773 1.00 . B A . 19 SER CA 1 1 17 13931 2 2 19 SER CB C -0.765 -1.337 -5.590 1.00 . B A . 19 SER CB 1 1 17 13932 2 2 19 SER H H 1.669 -0.756 -5.131 1.00 . B A . 19 SER H 1 1 17 13933 2 2 19 SER HA H -0.332 0.421 -6.774 1.00 . B A . 19 SER HA 1 1 17 13934 2 2 19 SER HB2 H -0.266 -2.023 -6.259 1.00 . B A . 19 SER HB2 1 1 17 13935 2 2 19 SER HB3 H -0.598 -1.666 -4.575 1.00 . B A . 19 SER HB3 1 1 17 13936 2 2 19 SER HG H -2.508 -0.471 -5.904 1.00 . B A . 19 SER HG 1 1 17 13937 2 2 19 SER N N 1.288 0.016 -5.594 1.00 . B A . 19 SER N 1 1 17 13938 2 2 19 SER O O -1.600 1.814 -5.116 1.00 . B A . 19 SER O 1 1 17 13939 2 2 19 SER OG O -2.157 -1.370 -5.874 1.00 . B A . 19 SER OG 1 1 17 13940 2 2 20 LEU C C 0.034 3.430 -3.100 1.00 . B A . 20 LEU C 1 1 17 13941 2 2 20 LEU CA C -0.540 2.138 -2.632 1.00 . B A . 20 LEU CA 1 1 17 13942 2 2 20 LEU CB C -0.098 1.914 -1.164 1.00 . B A . 20 LEU CB 1 1 17 13943 2 2 20 LEU CD1 C -1.709 0.006 -0.704 1.00 . B A . 20 LEU CD1 1 1 17 13944 2 2 20 LEU CD2 C 0.734 -0.436 -0.679 1.00 . B A . 20 LEU CD2 1 1 17 13945 2 2 20 LEU CG C -0.355 0.571 -0.464 1.00 . B A . 20 LEU CG 1 1 17 13946 2 2 20 LEU H H 0.500 0.391 -3.333 1.00 . B A . 20 LEU H 1 1 17 13947 2 2 20 LEU HA H -1.598 2.332 -2.677 1.00 . B A . 20 LEU HA 1 1 17 13948 2 2 20 LEU HB2 H 0.940 2.161 -1.032 1.00 . B A . 20 LEU HB2 1 1 17 13949 2 2 20 LEU HB3 H -0.626 2.664 -0.601 1.00 . B A . 20 LEU HB3 1 1 17 13950 2 2 20 LEU HD11 H -2.463 0.652 -0.280 1.00 . B A . 20 LEU HD11 1 1 17 13951 2 2 20 LEU HD12 H -1.752 -0.975 -0.253 1.00 . B A . 20 LEU HD12 1 1 17 13952 2 2 20 LEU HD13 H -1.847 -0.082 -1.769 1.00 . B A . 20 LEU HD13 1 1 17 13953 2 2 20 LEU HD21 H 0.474 -1.362 -0.186 1.00 . B A . 20 LEU HD21 1 1 17 13954 2 2 20 LEU HD22 H 1.651 -0.052 -0.260 1.00 . B A . 20 LEU HD22 1 1 17 13955 2 2 20 LEU HD23 H 0.856 -0.612 -1.737 1.00 . B A . 20 LEU HD23 1 1 17 13956 2 2 20 LEU HG H -0.359 0.825 0.579 1.00 . B A . 20 LEU HG 1 1 17 13957 2 2 20 LEU N N -0.141 1.096 -3.576 1.00 . B A . 20 LEU N 1 1 17 13958 2 2 20 LEU O O -0.655 4.431 -3.153 1.00 . B A . 20 LEU O 1 1 17 13959 2 2 21 ALA C C 1.372 5.381 -5.034 1.00 . B A . 21 ALA C 1 1 17 13960 2 2 21 ALA CA C 2.062 4.547 -3.944 1.00 . B A . 21 ALA CA 1 1 17 13961 2 2 21 ALA CB C 3.437 4.137 -4.416 1.00 . B A . 21 ALA CB 1 1 17 13962 2 2 21 ALA H H 1.681 2.463 -3.442 1.00 . B A . 21 ALA H 1 1 17 13963 2 2 21 ALA HA H 2.191 5.183 -3.081 1.00 . B A . 21 ALA HA 1 1 17 13964 2 2 21 ALA HB1 H 3.889 3.475 -3.692 1.00 . B A . 21 ALA HB1 1 1 17 13965 2 2 21 ALA HB2 H 4.049 5.020 -4.530 1.00 . B A . 21 ALA HB2 1 1 17 13966 2 2 21 ALA HB3 H 3.349 3.636 -5.368 1.00 . B A . 21 ALA HB3 1 1 17 13967 2 2 21 ALA N N 1.283 3.366 -3.494 1.00 . B A . 21 ALA N 1 1 17 13968 2 2 21 ALA O O 1.497 6.604 -5.056 1.00 . B A . 21 ALA O 1 1 17 13969 2 2 22 ARG C C -1.313 6.163 -6.546 1.00 . B A . 22 ARG C 1 1 17 13970 2 2 22 ARG CA C -0.046 5.442 -7.011 1.00 . B A . 22 ARG CA 1 1 17 13971 2 2 22 ARG CB C -0.297 4.531 -8.228 1.00 . B A . 22 ARG CB 1 1 17 13972 2 2 22 ARG CD C -1.078 2.359 -9.168 1.00 . B A . 22 ARG CD 1 1 17 13973 2 2 22 ARG CG C -1.082 3.264 -7.949 1.00 . B A . 22 ARG CG 1 1 17 13974 2 2 22 ARG CZ C -1.172 -0.137 -9.216 1.00 . B A . 22 ARG CZ 1 1 17 13975 2 2 22 ARG H H 0.541 3.757 -5.828 1.00 . B A . 22 ARG H 1 1 17 13976 2 2 22 ARG HA H 0.646 6.218 -7.305 1.00 . B A . 22 ARG HA 1 1 17 13977 2 2 22 ARG HB2 H -0.847 5.097 -8.966 1.00 . B A . 22 ARG HB2 1 1 17 13978 2 2 22 ARG HB3 H 0.656 4.254 -8.654 1.00 . B A . 22 ARG HB3 1 1 17 13979 2 2 22 ARG HD2 H -1.607 2.857 -9.969 1.00 . B A . 22 ARG HD2 1 1 17 13980 2 2 22 ARG HD3 H -0.054 2.194 -9.468 1.00 . B A . 22 ARG HD3 1 1 17 13981 2 2 22 ARG HE H -2.621 1.102 -8.519 1.00 . B A . 22 ARG HE 1 1 17 13982 2 2 22 ARG HG2 H -0.628 2.742 -7.118 1.00 . B A . 22 ARG HG2 1 1 17 13983 2 2 22 ARG HG3 H -2.101 3.523 -7.703 1.00 . B A . 22 ARG HG3 1 1 17 13984 2 2 22 ARG HH11 H 0.596 0.605 -9.990 1.00 . B A . 22 ARG HH11 1 1 17 13985 2 2 22 ARG HH12 H 0.484 -1.080 -10.006 1.00 . B A . 22 ARG HH12 1 1 17 13986 2 2 22 ARG HH21 H -2.755 -1.239 -8.536 1.00 . B A . 22 ARG HH21 1 1 17 13987 2 2 22 ARG HH22 H -1.473 -2.168 -9.152 1.00 . B A . 22 ARG HH22 1 1 17 13988 2 2 22 ARG N N 0.628 4.731 -5.916 1.00 . B A . 22 ARG N 1 1 17 13989 2 2 22 ARG NE N -1.720 1.060 -8.917 1.00 . B A . 22 ARG NE 1 1 17 13990 2 2 22 ARG NH1 N 0.046 -0.208 -9.770 1.00 . B A . 22 ARG NH1 1 1 17 13991 2 2 22 ARG NH2 N -1.841 -1.255 -8.955 1.00 . B A . 22 ARG NH2 1 1 17 13992 2 2 22 ARG O O -1.936 6.896 -7.299 1.00 . B A . 22 ARG O 1 1 17 13993 2 2 23 PHE C C -2.270 7.523 -3.603 1.00 . B A . 23 PHE C 1 1 17 13994 2 2 23 PHE CA C -2.796 6.646 -4.710 1.00 . B A . 23 PHE CA 1 1 17 13995 2 2 23 PHE CB C -3.845 5.665 -4.169 1.00 . B A . 23 PHE CB 1 1 17 13996 2 2 23 PHE CD1 C -5.525 5.353 -5.994 1.00 . B A . 23 PHE CD1 1 1 17 13997 2 2 23 PHE CD2 C -4.121 3.524 -5.434 1.00 . B A . 23 PHE CD2 1 1 17 13998 2 2 23 PHE CE1 C -6.138 4.587 -6.963 1.00 . B A . 23 PHE CE1 1 1 17 13999 2 2 23 PHE CE2 C -4.730 2.753 -6.399 1.00 . B A . 23 PHE CE2 1 1 17 14000 2 2 23 PHE CG C -4.510 4.829 -5.221 1.00 . B A . 23 PHE CG 1 1 17 14001 2 2 23 PHE CZ C -5.740 3.285 -7.165 1.00 . B A . 23 PHE CZ 1 1 17 14002 2 2 23 PHE H H -1.161 5.309 -4.775 1.00 . B A . 23 PHE H 1 1 17 14003 2 2 23 PHE HA H -3.240 7.278 -5.459 1.00 . B A . 23 PHE HA 1 1 17 14004 2 2 23 PHE HB2 H -3.370 4.994 -3.469 1.00 . B A . 23 PHE HB2 1 1 17 14005 2 2 23 PHE HB3 H -4.611 6.225 -3.652 1.00 . B A . 23 PHE HB3 1 1 17 14006 2 2 23 PHE HD1 H -5.839 6.374 -5.837 1.00 . B A . 23 PHE HD1 1 1 17 14007 2 2 23 PHE HD2 H -3.327 3.104 -4.835 1.00 . B A . 23 PHE HD2 1 1 17 14008 2 2 23 PHE HE1 H -6.928 5.013 -7.564 1.00 . B A . 23 PHE HE1 1 1 17 14009 2 2 23 PHE HE2 H -4.410 1.734 -6.551 1.00 . B A . 23 PHE HE2 1 1 17 14010 2 2 23 PHE HZ H -6.219 2.681 -7.923 1.00 . B A . 23 PHE HZ 1 1 17 14011 2 2 23 PHE N N -1.679 5.949 -5.310 1.00 . B A . 23 PHE N 1 1 17 14012 2 2 23 PHE O O -2.402 8.748 -3.623 1.00 . B A . 23 PHE O 1 1 17 14013 2 2 24 CYS C C -0.114 6.511 -0.900 1.00 . B A . 24 CYS C 1 1 17 14014 2 2 24 CYS CA C -1.012 7.523 -1.543 1.00 . B A . 24 CYS CA 1 1 17 14015 2 2 24 CYS CB C -2.037 8.068 -0.530 1.00 . B A . 24 CYS CB 1 1 17 14016 2 2 24 CYS H H -1.571 5.904 -2.766 1.00 . B A . 24 CYS H 1 1 17 14017 2 2 24 CYS HA H -0.402 8.330 -1.920 1.00 . B A . 24 CYS HA 1 1 17 14018 2 2 24 CYS HB2 H -2.690 8.765 -1.035 1.00 . B A . 24 CYS HB2 1 1 17 14019 2 2 24 CYS HB3 H -2.630 7.243 -0.163 1.00 . B A . 24 CYS HB3 1 1 17 14020 2 2 24 CYS N N -1.641 6.885 -2.674 1.00 . B A . 24 CYS N 1 1 17 14021 2 2 24 CYS O O -0.560 5.672 -0.113 1.00 . B A . 24 CYS O 1 1 17 14022 2 2 24 CYS SG S -1.328 8.950 0.941 1.00 . B A . 24 CYS SG 1 1 17 14023 2 2 25 NH2 HN1 H 1.404 7.226 -1.924 1.00 . B A . 25 NH2 HN1 1 1 17 14024 2 2 25 NH2 HN2 H 1.721 5.839 -0.939 1.00 . B A . 25 NH2 HN2 1 1 17 14025 2 2 25 NH2 N N 1.124 6.527 -1.293 1.00 . B A . 25 NH2 N 1 1 18 14026 1 1 1 ASP C C 10.738 -2.567 0.673 1.00 . A B . 1 ASP C 1 1 18 14027 1 1 1 ASP CA C 10.175 -3.175 1.934 1.00 . A B . 1 ASP CA 1 1 18 14028 1 1 1 ASP CB C 10.896 -2.559 3.089 1.00 . A B . 1 ASP CB 1 1 18 14029 1 1 1 ASP CG C 10.319 -2.919 4.424 1.00 . A B . 1 ASP CG 1 1 18 14030 1 1 1 ASP H1 H 9.852 -5.097 1.144 1.00 . A B . 1 ASP H1 1 1 18 14031 1 1 1 ASP H2 H 9.986 -5.069 2.819 1.00 . A B . 1 ASP H2 1 1 18 14032 1 1 1 ASP H3 H 11.353 -4.875 1.867 1.00 . A B . 1 ASP H3 1 1 18 14033 1 1 1 ASP HA H 9.123 -2.942 2.008 1.00 . A B . 1 ASP HA 1 1 18 14034 1 1 1 ASP HB2 H 11.917 -2.902 3.023 1.00 . A B . 1 ASP HB2 1 1 18 14035 1 1 1 ASP HB3 H 10.854 -1.497 2.914 1.00 . A B . 1 ASP HB3 1 1 18 14036 1 1 1 ASP N N 10.345 -4.640 1.944 1.00 . A B . 1 ASP N 1 1 18 14037 1 1 1 ASP O O 11.042 -1.363 0.627 1.00 . A B . 1 ASP O 1 1 18 14038 1 1 1 ASP OD1 O 9.404 -2.228 4.911 1.00 . A B . 1 ASP OD1 1 1 18 14039 1 1 1 ASP OD2 O 10.773 -3.910 5.025 1.00 . A B . 1 ASP OD2 1 1 18 14040 1 1 2 SER C C 10.331 -2.043 -2.281 1.00 . A B . 2 SER C 1 1 18 14041 1 1 2 SER CA C 11.380 -2.917 -1.606 1.00 . A B . 2 SER CA 1 1 18 14042 1 1 2 SER CB C 11.712 -4.110 -2.489 1.00 . A B . 2 SER CB 1 1 18 14043 1 1 2 SER H H 10.627 -4.306 -0.215 1.00 . A B . 2 SER H 1 1 18 14044 1 1 2 SER HA H 12.276 -2.341 -1.434 1.00 . A B . 2 SER HA 1 1 18 14045 1 1 2 SER HB2 H 10.797 -4.622 -2.745 1.00 . A B . 2 SER HB2 1 1 18 14046 1 1 2 SER HB3 H 12.180 -3.755 -3.395 1.00 . A B . 2 SER HB3 1 1 18 14047 1 1 2 SER HG H 13.177 -4.470 -1.254 1.00 . A B . 2 SER HG 1 1 18 14048 1 1 2 SER N N 10.884 -3.370 -0.330 1.00 . A B . 2 SER N 1 1 18 14049 1 1 2 SER O O 9.136 -2.185 -2.026 1.00 . A B . 2 SER O 1 1 18 14050 1 1 2 SER OG O 12.611 -5.006 -1.827 1.00 . A B . 2 SER OG 1 1 18 14051 1 1 3 TRP C C 9.426 -0.803 -5.117 1.00 . A B . 3 TRP C 1 1 18 14052 1 1 3 TRP CA C 9.844 -0.263 -3.773 1.00 . A B . 3 TRP CA 1 1 18 14053 1 1 3 TRP CB C 10.367 1.172 -3.899 1.00 . A B . 3 TRP CB 1 1 18 14054 1 1 3 TRP CD1 C 11.678 2.509 -2.155 1.00 . A B . 3 TRP CD1 1 1 18 14055 1 1 3 TRP CD2 C 9.618 1.959 -1.510 1.00 . A B . 3 TRP CD2 1 1 18 14056 1 1 3 TRP CE2 C 10.227 2.688 -0.478 1.00 . A B . 3 TRP CE2 1 1 18 14057 1 1 3 TRP CE3 C 8.317 1.501 -1.328 1.00 . A B . 3 TRP CE3 1 1 18 14058 1 1 3 TRP CG C 10.563 1.866 -2.581 1.00 . A B . 3 TRP CG 1 1 18 14059 1 1 3 TRP CH2 C 8.306 2.499 0.865 1.00 . A B . 3 TRP CH2 1 1 18 14060 1 1 3 TRP CZ2 C 9.580 2.968 0.719 1.00 . A B . 3 TRP CZ2 1 1 18 14061 1 1 3 TRP CZ3 C 7.681 1.772 -0.151 1.00 . A B . 3 TRP CZ3 1 1 18 14062 1 1 3 TRP H H 11.732 -1.066 -3.262 1.00 . A B . 3 TRP H 1 1 18 14063 1 1 3 TRP HA H 8.959 -0.243 -3.156 1.00 . A B . 3 TRP HA 1 1 18 14064 1 1 3 TRP HB2 H 11.319 1.156 -4.408 1.00 . A B . 3 TRP HB2 1 1 18 14065 1 1 3 TRP HB3 H 9.666 1.751 -4.482 1.00 . A B . 3 TRP HB3 1 1 18 14066 1 1 3 TRP HD1 H 12.580 2.616 -2.738 1.00 . A B . 3 TRP HD1 1 1 18 14067 1 1 3 TRP HE1 H 12.136 3.539 -0.386 1.00 . A B . 3 TRP HE1 1 1 18 14068 1 1 3 TRP HE3 H 7.802 0.940 -2.093 1.00 . A B . 3 TRP HE3 1 1 18 14069 1 1 3 TRP HH2 H 7.758 2.684 1.777 1.00 . A B . 3 TRP HH2 1 1 18 14070 1 1 3 TRP HZ2 H 10.056 3.529 1.508 1.00 . A B . 3 TRP HZ2 1 1 18 14071 1 1 3 TRP HZ3 H 6.675 1.402 -0.023 1.00 . A B . 3 TRP HZ3 1 1 18 14072 1 1 3 TRP N N 10.767 -1.135 -3.100 1.00 . A B . 3 TRP N 1 1 18 14073 1 1 3 TRP NE1 N 11.477 3.021 -0.900 1.00 . A B . 3 TRP NE1 1 1 18 14074 1 1 3 TRP O O 8.238 -0.888 -5.404 1.00 . A B . 3 TRP O 1 1 18 14075 1 1 4 MET C C 9.193 -2.833 -7.338 1.00 . A B . 4 MET C 1 1 18 14076 1 1 4 MET CA C 10.124 -1.640 -7.301 1.00 . A B . 4 MET CA 1 1 18 14077 1 1 4 MET CB C 11.410 -1.949 -8.074 1.00 . A B . 4 MET CB 1 1 18 14078 1 1 4 MET CE C 14.619 -2.286 -8.343 1.00 . A B . 4 MET CE 1 1 18 14079 1 1 4 MET CG C 12.291 -0.739 -8.348 1.00 . A B . 4 MET CG 1 1 18 14080 1 1 4 MET H H 11.322 -1.206 -5.589 1.00 . A B . 4 MET H 1 1 18 14081 1 1 4 MET HA H 9.625 -0.817 -7.790 1.00 . A B . 4 MET HA 1 1 18 14082 1 1 4 MET HB2 H 11.988 -2.656 -7.497 1.00 . A B . 4 MET HB2 1 1 18 14083 1 1 4 MET HB3 H 11.143 -2.401 -9.017 1.00 . A B . 4 MET HB3 1 1 18 14084 1 1 4 MET HE1 H 15.536 -2.579 -8.834 1.00 . A B . 4 MET HE1 1 1 18 14085 1 1 4 MET HE2 H 14.008 -3.159 -8.170 1.00 . A B . 4 MET HE2 1 1 18 14086 1 1 4 MET HE3 H 14.849 -1.817 -7.398 1.00 . A B . 4 MET HE3 1 1 18 14087 1 1 4 MET HG2 H 11.701 0.013 -8.849 1.00 . A B . 4 MET HG2 1 1 18 14088 1 1 4 MET HG3 H 12.640 -0.344 -7.406 1.00 . A B . 4 MET HG3 1 1 18 14089 1 1 4 MET N N 10.403 -1.205 -5.931 1.00 . A B . 4 MET N 1 1 18 14090 1 1 4 MET O O 8.215 -2.839 -8.090 1.00 . A B . 4 MET O 1 1 18 14091 1 1 4 MET SD S 13.727 -1.127 -9.382 1.00 . A B . 4 MET SD 1 1 18 14092 1 1 5 GLU C C 8.397 -5.309 -4.988 1.00 . A B . 5 GLU C 1 1 18 14093 1 1 5 GLU CA C 8.582 -4.936 -6.430 1.00 . A B . 5 GLU CA 1 1 18 14094 1 1 5 GLU CB C 9.071 -6.132 -7.233 1.00 . A B . 5 GLU CB 1 1 18 14095 1 1 5 GLU CD C 8.492 -8.398 -8.145 1.00 . A B . 5 GLU CD 1 1 18 14096 1 1 5 GLU CG C 8.028 -7.224 -7.349 1.00 . A B . 5 GLU CG 1 1 18 14097 1 1 5 GLU H H 10.267 -3.805 -5.972 1.00 . A B . 5 GLU H 1 1 18 14098 1 1 5 GLU HA H 7.631 -4.616 -6.824 1.00 . A B . 5 GLU HA 1 1 18 14099 1 1 5 GLU HB2 H 9.349 -5.802 -8.222 1.00 . A B . 5 GLU HB2 1 1 18 14100 1 1 5 GLU HB3 H 9.940 -6.547 -6.743 1.00 . A B . 5 GLU HB3 1 1 18 14101 1 1 5 GLU HG2 H 7.768 -7.565 -6.358 1.00 . A B . 5 GLU HG2 1 1 18 14102 1 1 5 GLU HG3 H 7.148 -6.811 -7.821 1.00 . A B . 5 GLU HG3 1 1 18 14103 1 1 5 GLU N N 9.463 -3.819 -6.530 1.00 . A B . 5 GLU N 1 1 18 14104 1 1 5 GLU O O 9.377 -5.603 -4.289 1.00 . A B . 5 GLU O 1 1 18 14105 1 1 5 GLU OE1 O 8.470 -8.338 -9.399 1.00 . A B . 5 GLU OE1 1 1 18 14106 1 1 5 GLU OE2 O 8.841 -9.432 -7.545 1.00 . A B . 5 GLU OE2 1 1 18 14107 1 1 6 GLU C C 5.324 -5.806 -3.176 1.00 . A B . 6 GLU C 1 1 18 14108 1 1 6 GLU CA C 6.821 -5.672 -3.211 1.00 . A B . 6 GLU CA 1 1 18 14109 1 1 6 GLU CB C 7.237 -4.631 -2.183 1.00 . A B . 6 GLU CB 1 1 18 14110 1 1 6 GLU CD C 8.361 -6.199 -0.582 1.00 . A B . 6 GLU CD 1 1 18 14111 1 1 6 GLU CG C 7.309 -5.142 -0.754 1.00 . A B . 6 GLU CG 1 1 18 14112 1 1 6 GLU H H 6.433 -4.985 -5.118 1.00 . A B . 6 GLU H 1 1 18 14113 1 1 6 GLU HA H 7.284 -6.621 -2.988 1.00 . A B . 6 GLU HA 1 1 18 14114 1 1 6 GLU HB2 H 8.164 -4.147 -2.453 1.00 . A B . 6 GLU HB2 1 1 18 14115 1 1 6 GLU HB3 H 6.438 -3.913 -2.206 1.00 . A B . 6 GLU HB3 1 1 18 14116 1 1 6 GLU HG2 H 7.541 -4.317 -0.097 1.00 . A B . 6 GLU HG2 1 1 18 14117 1 1 6 GLU HG3 H 6.350 -5.558 -0.484 1.00 . A B . 6 GLU HG3 1 1 18 14118 1 1 6 GLU N N 7.173 -5.276 -4.541 1.00 . A B . 6 GLU N 1 1 18 14119 1 1 6 GLU O O 4.609 -5.106 -3.910 1.00 . A B . 6 GLU O 1 1 18 14120 1 1 6 GLU OE1 O 8.073 -7.391 -0.826 1.00 . A B . 6 GLU OE1 1 1 18 14121 1 1 6 GLU OE2 O 9.500 -5.856 -0.198 1.00 . A B . 6 GLU OE2 1 1 18 14122 1 1 7 VAL C C 3.193 -7.382 -0.773 1.00 . A B . 7 VAL C 1 1 18 14123 1 1 7 VAL CA C 3.466 -6.930 -2.197 1.00 . A B . 7 VAL CA 1 1 18 14124 1 1 7 VAL CB C 2.948 -7.971 -3.261 1.00 . A B . 7 VAL CB 1 1 18 14125 1 1 7 VAL CG1 C 3.727 -9.274 -3.214 1.00 . A B . 7 VAL CG1 1 1 18 14126 1 1 7 VAL CG2 C 1.452 -8.235 -3.105 1.00 . A B . 7 VAL CG2 1 1 18 14127 1 1 7 VAL H H 5.513 -7.093 -1.753 1.00 . A B . 7 VAL H 1 1 18 14128 1 1 7 VAL HA H 2.950 -5.992 -2.344 1.00 . A B . 7 VAL HA 1 1 18 14129 1 1 7 VAL HB H 3.112 -7.538 -4.238 1.00 . A B . 7 VAL HB 1 1 18 14130 1 1 7 VAL HG11 H 4.774 -9.076 -3.388 1.00 . A B . 7 VAL HG11 1 1 18 14131 1 1 7 VAL HG12 H 3.359 -9.943 -3.977 1.00 . A B . 7 VAL HG12 1 1 18 14132 1 1 7 VAL HG13 H 3.601 -9.728 -2.243 1.00 . A B . 7 VAL HG13 1 1 18 14133 1 1 7 VAL HG21 H 1.263 -8.641 -2.123 1.00 . A B . 7 VAL HG21 1 1 18 14134 1 1 7 VAL HG22 H 1.124 -8.938 -3.855 1.00 . A B . 7 VAL HG22 1 1 18 14135 1 1 7 VAL HG23 H 0.909 -7.308 -3.219 1.00 . A B . 7 VAL HG23 1 1 18 14136 1 1 7 VAL N N 4.866 -6.656 -2.343 1.00 . A B . 7 VAL N 1 1 18 14137 1 1 7 VAL O O 3.946 -8.189 -0.213 1.00 . A B . 7 VAL O 1 1 18 14138 1 1 8 ILE C C 0.298 -7.302 1.215 1.00 . A B . 8 ILE C 1 1 18 14139 1 1 8 ILE CA C 1.795 -7.152 1.180 1.00 . A B . 8 ILE CA 1 1 18 14140 1 1 8 ILE CB C 2.230 -6.078 2.260 1.00 . A B . 8 ILE CB 1 1 18 14141 1 1 8 ILE CD1 C 2.044 -3.883 0.837 1.00 . A B . 8 ILE CD1 1 1 18 14142 1 1 8 ILE CG1 C 1.573 -4.671 2.052 1.00 . A B . 8 ILE CG1 1 1 18 14143 1 1 8 ILE CG2 C 3.744 -5.958 2.354 1.00 . A B . 8 ILE CG2 1 1 18 14144 1 1 8 ILE H H 1.629 -6.173 -0.668 1.00 . A B . 8 ILE H 1 1 18 14145 1 1 8 ILE HA H 2.244 -8.105 1.422 1.00 . A B . 8 ILE HA 1 1 18 14146 1 1 8 ILE HB H 1.907 -6.472 3.212 1.00 . A B . 8 ILE HB 1 1 18 14147 1 1 8 ILE HD11 H 1.540 -2.928 0.812 1.00 . A B . 8 ILE HD11 1 1 18 14148 1 1 8 ILE HD12 H 1.818 -4.435 -0.063 1.00 . A B . 8 ILE HD12 1 1 18 14149 1 1 8 ILE HD13 H 3.110 -3.726 0.904 1.00 . A B . 8 ILE HD13 1 1 18 14150 1 1 8 ILE HG12 H 0.506 -4.801 1.948 1.00 . A B . 8 ILE HG12 1 1 18 14151 1 1 8 ILE HG13 H 1.761 -4.074 2.932 1.00 . A B . 8 ILE HG13 1 1 18 14152 1 1 8 ILE HG21 H 4.139 -5.643 1.400 1.00 . A B . 8 ILE HG21 1 1 18 14153 1 1 8 ILE HG22 H 4.166 -6.915 2.619 1.00 . A B . 8 ILE HG22 1 1 18 14154 1 1 8 ILE HG23 H 3.999 -5.230 3.110 1.00 . A B . 8 ILE HG23 1 1 18 14155 1 1 8 ILE N N 2.183 -6.821 -0.175 1.00 . A B . 8 ILE N 1 1 18 14156 1 1 8 ILE O O -0.372 -6.839 0.306 1.00 . A B . 8 ILE O 1 1 18 14157 1 1 9 LYS C C -2.168 -7.505 3.651 1.00 . A B . 9 LYS C 1 1 18 14158 1 1 9 LYS CA C -1.661 -8.084 2.340 1.00 . A B . 9 LYS CA 1 1 18 14159 1 1 9 LYS CB C -2.151 -9.530 2.074 1.00 . A B . 9 LYS CB 1 1 18 14160 1 1 9 LYS CD C -1.996 -12.015 2.534 1.00 . A B . 9 LYS CD 1 1 18 14161 1 1 9 LYS CE C -3.515 -12.206 2.496 1.00 . A B . 9 LYS CE 1 1 18 14162 1 1 9 LYS CG C -1.587 -10.611 2.994 1.00 . A B . 9 LYS CG 1 1 18 14163 1 1 9 LYS H H 0.355 -8.332 2.915 1.00 . A B . 9 LYS H 1 1 18 14164 1 1 9 LYS HA H -2.059 -7.440 1.569 1.00 . A B . 9 LYS HA 1 1 18 14165 1 1 9 LYS HB2 H -3.225 -9.538 2.183 1.00 . A B . 9 LYS HB2 1 1 18 14166 1 1 9 LYS HB3 H -1.912 -9.789 1.054 1.00 . A B . 9 LYS HB3 1 1 18 14167 1 1 9 LYS HD2 H -1.604 -12.186 1.542 1.00 . A B . 9 LYS HD2 1 1 18 14168 1 1 9 LYS HD3 H -1.569 -12.738 3.214 1.00 . A B . 9 LYS HD3 1 1 18 14169 1 1 9 LYS HE2 H -3.948 -11.477 1.828 1.00 . A B . 9 LYS HE2 1 1 18 14170 1 1 9 LYS HE3 H -3.724 -13.196 2.117 1.00 . A B . 9 LYS HE3 1 1 18 14171 1 1 9 LYS HG2 H -0.511 -10.538 3.008 1.00 . A B . 9 LYS HG2 1 1 18 14172 1 1 9 LYS HG3 H -1.967 -10.443 3.990 1.00 . A B . 9 LYS HG3 1 1 18 14173 1 1 9 LYS HZ1 H -5.158 -12.250 3.774 1.00 . A B . 9 LYS HZ1 1 1 18 14174 1 1 9 LYS HZ2 H -3.995 -11.112 4.226 1.00 . A B . 9 LYS HZ2 1 1 18 14175 1 1 9 LYS HZ3 H -3.724 -12.746 4.501 1.00 . A B . 9 LYS HZ3 1 1 18 14176 1 1 9 LYS N N -0.228 -7.947 2.226 1.00 . A B . 9 LYS N 1 1 18 14177 1 1 9 LYS NZ N -4.137 -12.063 3.833 1.00 . A B . 9 LYS NZ 1 1 18 14178 1 1 9 LYS O O -2.314 -8.193 4.661 1.00 . A B . 9 LYS O 1 1 18 14179 1 1 10 LEU C C -4.231 -5.054 4.607 1.00 . A B . 10 LEU C 1 1 18 14180 1 1 10 LEU CA C -2.816 -5.483 4.797 1.00 . A B . 10 LEU CA 1 1 18 14181 1 1 10 LEU CB C -1.922 -4.261 5.076 1.00 . A B . 10 LEU CB 1 1 18 14182 1 1 10 LEU CD1 C 0.203 -5.623 5.447 1.00 . A B . 10 LEU CD1 1 1 18 14183 1 1 10 LEU CD2 C 0.163 -3.204 6.001 1.00 . A B . 10 LEU CD2 1 1 18 14184 1 1 10 LEU CG C -0.664 -4.478 5.947 1.00 . A B . 10 LEU CG 1 1 18 14185 1 1 10 LEU H H -2.234 -5.736 2.798 1.00 . A B . 10 LEU H 1 1 18 14186 1 1 10 LEU HA H -2.794 -6.129 5.661 1.00 . A B . 10 LEU HA 1 1 18 14187 1 1 10 LEU HB2 H -1.626 -3.850 4.126 1.00 . A B . 10 LEU HB2 1 1 18 14188 1 1 10 LEU HB3 H -2.539 -3.520 5.563 1.00 . A B . 10 LEU HB3 1 1 18 14189 1 1 10 LEU HD11 H -0.367 -6.540 5.462 1.00 . A B . 10 LEU HD11 1 1 18 14190 1 1 10 LEU HD12 H 1.070 -5.725 6.082 1.00 . A B . 10 LEU HD12 1 1 18 14191 1 1 10 LEU HD13 H 0.518 -5.413 4.435 1.00 . A B . 10 LEU HD13 1 1 18 14192 1 1 10 LEU HD21 H 0.525 -2.979 5.008 1.00 . A B . 10 LEU HD21 1 1 18 14193 1 1 10 LEU HD22 H 1.009 -3.349 6.658 1.00 . A B . 10 LEU HD22 1 1 18 14194 1 1 10 LEU HD23 H -0.439 -2.379 6.348 1.00 . A B . 10 LEU HD23 1 1 18 14195 1 1 10 LEU HG H -1.012 -4.688 6.947 1.00 . A B . 10 LEU HG 1 1 18 14196 1 1 10 LEU N N -2.362 -6.224 3.639 1.00 . A B . 10 LEU N 1 1 18 14197 1 1 10 LEU O O -4.815 -5.261 3.540 1.00 . A B . 10 LEU O 1 1 18 14198 1 1 11 CYS C C -6.297 -2.745 6.396 1.00 . A B . 11 CYS C 1 1 18 14199 1 1 11 CYS CA C -6.156 -4.011 5.561 1.00 . A B . 11 CYS CA 1 1 18 14200 1 1 11 CYS CB C -7.120 -5.077 6.118 1.00 . A B . 11 CYS CB 1 1 18 14201 1 1 11 CYS H H -4.226 -4.285 6.413 1.00 . A B . 11 CYS H 1 1 18 14202 1 1 11 CYS HA H -6.408 -3.803 4.532 1.00 . A B . 11 CYS HA 1 1 18 14203 1 1 11 CYS HB2 H -7.004 -5.109 7.187 1.00 . A B . 11 CYS HB2 1 1 18 14204 1 1 11 CYS HB3 H -8.115 -4.737 5.876 1.00 . A B . 11 CYS HB3 1 1 18 14205 1 1 11 CYS N N -4.780 -4.458 5.615 1.00 . A B . 11 CYS N 1 1 18 14206 1 1 11 CYS O O -5.374 -2.394 7.147 1.00 . A B . 11 CYS O 1 1 18 14207 1 1 11 CYS SG S -6.930 -6.793 5.466 1.00 . A B . 11 CYS SG 1 1 18 14208 1 1 12 GLY C C -6.690 0.147 7.224 1.00 . A B . 12 GLY C 1 1 18 14209 1 1 12 GLY CA C -7.775 -0.885 6.998 1.00 . A B . 12 GLY CA 1 1 18 14210 1 1 12 GLY H H -8.004 -2.307 5.467 1.00 . A B . 12 GLY H 1 1 18 14211 1 1 12 GLY HA2 H -8.617 -0.379 6.554 1.00 . A B . 12 GLY HA2 1 1 18 14212 1 1 12 GLY HA3 H -8.092 -1.254 7.962 1.00 . A B . 12 GLY HA3 1 1 18 14213 1 1 12 GLY N N -7.402 -2.040 6.197 1.00 . A B . 12 GLY N 1 1 18 14214 1 1 12 GLY O O -6.046 0.666 6.275 1.00 . A B . 12 GLY O 1 1 18 14215 1 1 13 ARG C C -4.099 0.989 8.691 1.00 . A B . 13 ARG C 1 1 18 14216 1 1 13 ARG CA C -5.528 1.420 8.896 1.00 . A B . 13 ARG CA 1 1 18 14217 1 1 13 ARG CB C -5.789 1.879 10.331 1.00 . A B . 13 ARG CB 1 1 18 14218 1 1 13 ARG CD C -6.938 4.039 9.749 1.00 . A B . 13 ARG CD 1 1 18 14219 1 1 13 ARG CG C -7.060 2.711 10.482 1.00 . A B . 13 ARG CG 1 1 18 14220 1 1 13 ARG CZ C -8.171 6.198 9.804 1.00 . A B . 13 ARG CZ 1 1 18 14221 1 1 13 ARG H H -6.983 -0.079 9.145 1.00 . A B . 13 ARG H 1 1 18 14222 1 1 13 ARG HA H -5.681 2.266 8.245 1.00 . A B . 13 ARG HA 1 1 18 14223 1 1 13 ARG HB2 H -5.874 1.009 10.964 1.00 . A B . 13 ARG HB2 1 1 18 14224 1 1 13 ARG HB3 H -4.953 2.475 10.664 1.00 . A B . 13 ARG HB3 1 1 18 14225 1 1 13 ARG HD2 H -6.123 4.593 10.186 1.00 . A B . 13 ARG HD2 1 1 18 14226 1 1 13 ARG HD3 H -6.723 3.858 8.706 1.00 . A B . 13 ARG HD3 1 1 18 14227 1 1 13 ARG HE H -8.987 4.341 9.898 1.00 . A B . 13 ARG HE 1 1 18 14228 1 1 13 ARG HG2 H -7.892 2.161 10.068 1.00 . A B . 13 ARG HG2 1 1 18 14229 1 1 13 ARG HG3 H -7.236 2.902 11.529 1.00 . A B . 13 ARG HG3 1 1 18 14230 1 1 13 ARG HH11 H -6.130 6.429 9.822 1.00 . A B . 13 ARG HH11 1 1 18 14231 1 1 13 ARG HH12 H -7.002 7.883 9.788 1.00 . A B . 13 ARG HH12 1 1 18 14232 1 1 13 ARG HH21 H -10.222 6.394 9.830 1.00 . A B . 13 ARG HH21 1 1 18 14233 1 1 13 ARG HH22 H -9.368 7.854 9.755 1.00 . A B . 13 ARG HH22 1 1 18 14234 1 1 13 ARG N N -6.474 0.425 8.474 1.00 . A B . 13 ARG N 1 1 18 14235 1 1 13 ARG NE N -8.153 4.857 9.841 1.00 . A B . 13 ARG NE 1 1 18 14236 1 1 13 ARG NH1 N -7.027 6.879 9.799 1.00 . A B . 13 ARG NH1 1 1 18 14237 1 1 13 ARG NH2 N -9.329 6.853 9.800 1.00 . A B . 13 ARG NH2 1 1 18 14238 1 1 13 ARG O O -3.219 1.833 8.614 1.00 . A B . 13 ARG O 1 1 18 14239 1 1 14 GLU C C -2.149 -0.363 6.850 1.00 . A B . 14 GLU C 1 1 18 14240 1 1 14 GLU CA C -2.517 -0.769 8.262 1.00 . A B . 14 GLU CA 1 1 18 14241 1 1 14 GLU CB C -2.399 -2.274 8.442 1.00 . A B . 14 GLU CB 1 1 18 14242 1 1 14 GLU CD C -1.502 -2.145 10.787 1.00 . A B . 14 GLU CD 1 1 18 14243 1 1 14 GLU CG C -2.540 -2.747 9.875 1.00 . A B . 14 GLU CG 1 1 18 14244 1 1 14 GLU H H -4.572 -0.988 8.582 1.00 . A B . 14 GLU H 1 1 18 14245 1 1 14 GLU HA H -1.841 -0.264 8.940 1.00 . A B . 14 GLU HA 1 1 18 14246 1 1 14 GLU HB2 H -3.172 -2.747 7.854 1.00 . A B . 14 GLU HB2 1 1 18 14247 1 1 14 GLU HB3 H -1.437 -2.588 8.068 1.00 . A B . 14 GLU HB3 1 1 18 14248 1 1 14 GLU HG2 H -3.517 -2.470 10.240 1.00 . A B . 14 GLU HG2 1 1 18 14249 1 1 14 GLU HG3 H -2.439 -3.822 9.900 1.00 . A B . 14 GLU HG3 1 1 18 14250 1 1 14 GLU N N -3.857 -0.309 8.539 1.00 . A B . 14 GLU N 1 1 18 14251 1 1 14 GLU O O -1.017 -0.002 6.574 1.00 . A B . 14 GLU O 1 1 18 14252 1 1 14 GLU OE1 O -0.299 -2.439 10.626 1.00 . A B . 14 GLU OE1 1 1 18 14253 1 1 14 GLU OE2 O -1.860 -1.364 11.691 1.00 . A B . 14 GLU OE2 1 1 18 14254 1 1 15 LEU C C -2.619 1.541 4.573 1.00 . A B . 15 LEU C 1 1 18 14255 1 1 15 LEU CA C -2.959 0.077 4.591 1.00 . A B . 15 LEU CA 1 1 18 14256 1 1 15 LEU CB C -4.240 -0.092 3.800 1.00 . A B . 15 LEU CB 1 1 18 14257 1 1 15 LEU CD1 C -6.119 -1.466 3.051 1.00 . A B . 15 LEU CD1 1 1 18 14258 1 1 15 LEU CD2 C -3.828 -2.253 2.694 1.00 . A B . 15 LEU CD2 1 1 18 14259 1 1 15 LEU CG C -4.735 -1.495 3.617 1.00 . A B . 15 LEU CG 1 1 18 14260 1 1 15 LEU H H -4.009 -0.725 6.276 1.00 . A B . 15 LEU H 1 1 18 14261 1 1 15 LEU HA H -2.175 -0.501 4.124 1.00 . A B . 15 LEU HA 1 1 18 14262 1 1 15 LEU HB2 H -5.014 0.470 4.302 1.00 . A B . 15 LEU HB2 1 1 18 14263 1 1 15 LEU HB3 H -4.087 0.343 2.824 1.00 . A B . 15 LEU HB3 1 1 18 14264 1 1 15 LEU HD11 H -6.447 -2.478 2.862 1.00 . A B . 15 LEU HD11 1 1 18 14265 1 1 15 LEU HD12 H -6.125 -0.888 2.139 1.00 . A B . 15 LEU HD12 1 1 18 14266 1 1 15 LEU HD13 H -6.783 -1.013 3.771 1.00 . A B . 15 LEU HD13 1 1 18 14267 1 1 15 LEU HD21 H -3.826 -1.800 1.715 1.00 . A B . 15 LEU HD21 1 1 18 14268 1 1 15 LEU HD22 H -4.215 -3.260 2.626 1.00 . A B . 15 LEU HD22 1 1 18 14269 1 1 15 LEU HD23 H -2.828 -2.276 3.103 1.00 . A B . 15 LEU HD23 1 1 18 14270 1 1 15 LEU HG H -4.756 -2.006 4.568 1.00 . A B . 15 LEU HG 1 1 18 14271 1 1 15 LEU N N -3.144 -0.376 5.969 1.00 . A B . 15 LEU N 1 1 18 14272 1 1 15 LEU O O -1.729 1.959 3.855 1.00 . A B . 15 LEU O 1 1 18 14273 1 1 16 VAL C C -1.667 3.996 6.065 1.00 . A B . 16 VAL C 1 1 18 14274 1 1 16 VAL CA C -3.057 3.757 5.496 1.00 . A B . 16 VAL CA 1 1 18 14275 1 1 16 VAL CB C -4.113 4.476 6.380 1.00 . A B . 16 VAL CB 1 1 18 14276 1 1 16 VAL CG1 C -3.877 5.980 6.411 1.00 . A B . 16 VAL CG1 1 1 18 14277 1 1 16 VAL CG2 C -5.515 4.175 5.897 1.00 . A B . 16 VAL CG2 1 1 18 14278 1 1 16 VAL H H -4.013 1.885 5.949 1.00 . A B . 16 VAL H 1 1 18 14279 1 1 16 VAL HA H -3.070 4.174 4.497 1.00 . A B . 16 VAL HA 1 1 18 14280 1 1 16 VAL HB H -4.013 4.102 7.388 1.00 . A B . 16 VAL HB 1 1 18 14281 1 1 16 VAL HG11 H -3.929 6.374 5.407 1.00 . A B . 16 VAL HG11 1 1 18 14282 1 1 16 VAL HG12 H -2.901 6.184 6.828 1.00 . A B . 16 VAL HG12 1 1 18 14283 1 1 16 VAL HG13 H -4.635 6.445 7.021 1.00 . A B . 16 VAL HG13 1 1 18 14284 1 1 16 VAL HG21 H -5.627 4.514 4.877 1.00 . A B . 16 VAL HG21 1 1 18 14285 1 1 16 VAL HG22 H -6.231 4.683 6.527 1.00 . A B . 16 VAL HG22 1 1 18 14286 1 1 16 VAL HG23 H -5.687 3.110 5.944 1.00 . A B . 16 VAL HG23 1 1 18 14287 1 1 16 VAL N N -3.307 2.309 5.407 1.00 . A B . 16 VAL N 1 1 18 14288 1 1 16 VAL O O -0.907 4.811 5.548 1.00 . A B . 16 VAL O 1 1 18 14289 1 1 17 ARG C C 1.068 2.983 6.743 1.00 . A B . 17 ARG C 1 1 18 14290 1 1 17 ARG CA C -0.028 3.312 7.733 1.00 . A B . 17 ARG CA 1 1 18 14291 1 1 17 ARG CB C 0.033 2.390 8.951 1.00 . A B . 17 ARG CB 1 1 18 14292 1 1 17 ARG CD C -0.677 1.948 11.309 1.00 . A B . 17 ARG CD 1 1 18 14293 1 1 17 ARG CG C -0.688 2.939 10.167 1.00 . A B . 17 ARG CG 1 1 18 14294 1 1 17 ARG CZ C -1.596 1.853 13.619 1.00 . A B . 17 ARG CZ 1 1 18 14295 1 1 17 ARG H H -2.011 2.637 7.475 1.00 . A B . 17 ARG H 1 1 18 14296 1 1 17 ARG HA H 0.120 4.327 8.061 1.00 . A B . 17 ARG HA 1 1 18 14297 1 1 17 ARG HB2 H -0.443 1.459 8.679 1.00 . A B . 17 ARG HB2 1 1 18 14298 1 1 17 ARG HB3 H 1.057 2.182 9.214 1.00 . A B . 17 ARG HB3 1 1 18 14299 1 1 17 ARG HD2 H -1.280 1.093 11.037 1.00 . A B . 17 ARG HD2 1 1 18 14300 1 1 17 ARG HD3 H 0.340 1.632 11.482 1.00 . A B . 17 ARG HD3 1 1 18 14301 1 1 17 ARG HE H -1.226 3.518 12.552 1.00 . A B . 17 ARG HE 1 1 18 14302 1 1 17 ARG HG2 H -0.194 3.845 10.488 1.00 . A B . 17 ARG HG2 1 1 18 14303 1 1 17 ARG HG3 H -1.710 3.160 9.898 1.00 . A B . 17 ARG HG3 1 1 18 14304 1 1 17 ARG HH11 H -1.471 -0.021 12.764 1.00 . A B . 17 ARG HH11 1 1 18 14305 1 1 17 ARG HH12 H -1.961 0.007 14.394 1.00 . A B . 17 ARG HH12 1 1 18 14306 1 1 17 ARG HH21 H -1.926 3.518 14.760 1.00 . A B . 17 ARG HH21 1 1 18 14307 1 1 17 ARG HH22 H -2.246 2.051 15.557 1.00 . A B . 17 ARG HH22 1 1 18 14308 1 1 17 ARG N N -1.338 3.251 7.106 1.00 . A B . 17 ARG N 1 1 18 14309 1 1 17 ARG NE N -1.208 2.534 12.541 1.00 . A B . 17 ARG NE 1 1 18 14310 1 1 17 ARG NH1 N -1.680 0.529 13.586 1.00 . A B . 17 ARG NH1 1 1 18 14311 1 1 17 ARG NH2 N -1.946 2.514 14.720 1.00 . A B . 17 ARG NH2 1 1 18 14312 1 1 17 ARG O O 2.139 3.598 6.757 1.00 . A B . 17 ARG O 1 1 18 14313 1 1 18 ALA C C 1.840 2.808 3.849 1.00 . A B . 18 ALA C 1 1 18 14314 1 1 18 ALA CA C 1.715 1.660 4.843 1.00 . A B . 18 ALA CA 1 1 18 14315 1 1 18 ALA CB C 1.253 0.391 4.145 1.00 . A B . 18 ALA CB 1 1 18 14316 1 1 18 ALA H H -0.047 1.543 6.005 1.00 . A B . 18 ALA H 1 1 18 14317 1 1 18 ALA HA H 2.677 1.479 5.298 1.00 . A B . 18 ALA HA 1 1 18 14318 1 1 18 ALA HB1 H 1.969 0.114 3.386 1.00 . A B . 18 ALA HB1 1 1 18 14319 1 1 18 ALA HB2 H 0.292 0.568 3.684 1.00 . A B . 18 ALA HB2 1 1 18 14320 1 1 18 ALA HB3 H 1.162 -0.406 4.868 1.00 . A B . 18 ALA HB3 1 1 18 14321 1 1 18 ALA N N 0.801 2.027 5.893 1.00 . A B . 18 ALA N 1 1 18 14322 1 1 18 ALA O O 2.933 3.310 3.623 1.00 . A B . 18 ALA O 1 1 18 14323 1 1 19 GLN C C 1.330 5.589 2.766 1.00 . A B . 19 GLN C 1 1 18 14324 1 1 19 GLN CA C 0.578 4.327 2.342 1.00 . A B . 19 GLN CA 1 1 18 14325 1 1 19 GLN CB C -0.909 4.632 2.158 1.00 . A B . 19 GLN CB 1 1 18 14326 1 1 19 GLN CD C -3.113 3.805 1.211 1.00 . A B . 19 GLN CD 1 1 18 14327 1 1 19 GLN CG C -1.608 3.671 1.229 1.00 . A B . 19 GLN CG 1 1 18 14328 1 1 19 GLN H H -0.135 2.812 3.626 1.00 . A B . 19 GLN H 1 1 18 14329 1 1 19 GLN HA H 0.969 3.972 1.396 1.00 . A B . 19 GLN HA 1 1 18 14330 1 1 19 GLN HB2 H -1.359 4.515 3.133 1.00 . A B . 19 GLN HB2 1 1 18 14331 1 1 19 GLN HB3 H -1.081 5.649 1.846 1.00 . A B . 19 GLN HB3 1 1 18 14332 1 1 19 GLN HE21 H -3.283 1.894 0.759 1.00 . A B . 19 GLN HE21 1 1 18 14333 1 1 19 GLN HE22 H -4.758 2.785 0.916 1.00 . A B . 19 GLN HE22 1 1 18 14334 1 1 19 GLN HG2 H -1.252 3.857 0.226 1.00 . A B . 19 GLN HG2 1 1 18 14335 1 1 19 GLN HG3 H -1.352 2.668 1.534 1.00 . A B . 19 GLN HG3 1 1 18 14336 1 1 19 GLN N N 0.699 3.239 3.325 1.00 . A B . 19 GLN N 1 1 18 14337 1 1 19 GLN NE2 N -3.783 2.718 0.935 1.00 . A B . 19 GLN NE2 1 1 18 14338 1 1 19 GLN O O 2.213 6.072 2.046 1.00 . A B . 19 GLN O 1 1 18 14339 1 1 19 GLN OE1 O -3.667 4.868 1.435 1.00 . A B . 19 GLN OE1 1 1 18 14340 1 1 20 ILE C C 3.141 7.114 4.654 1.00 . A B . 20 ILE C 1 1 18 14341 1 1 20 ILE CA C 1.620 7.303 4.473 1.00 . A B . 20 ILE CA 1 1 18 14342 1 1 20 ILE CB C 0.963 7.735 5.827 1.00 . A B . 20 ILE CB 1 1 18 14343 1 1 20 ILE CD1 C -0.938 9.018 4.631 1.00 . A B . 20 ILE CD1 1 1 18 14344 1 1 20 ILE CG1 C -0.558 7.965 5.661 1.00 . A B . 20 ILE CG1 1 1 18 14345 1 1 20 ILE CG2 C 1.633 8.983 6.409 1.00 . A B . 20 ILE CG2 1 1 18 14346 1 1 20 ILE H H 0.294 5.632 4.446 1.00 . A B . 20 ILE H 1 1 18 14347 1 1 20 ILE HA H 1.469 8.090 3.749 1.00 . A B . 20 ILE HA 1 1 18 14348 1 1 20 ILE HB H 1.112 6.926 6.529 1.00 . A B . 20 ILE HB 1 1 18 14349 1 1 20 ILE HD11 H -2.012 9.131 4.611 1.00 . A B . 20 ILE HD11 1 1 18 14350 1 1 20 ILE HD12 H -0.588 8.716 3.655 1.00 . A B . 20 ILE HD12 1 1 18 14351 1 1 20 ILE HD13 H -0.481 9.959 4.900 1.00 . A B . 20 ILE HD13 1 1 18 14352 1 1 20 ILE HG12 H -1.021 7.038 5.358 1.00 . A B . 20 ILE HG12 1 1 18 14353 1 1 20 ILE HG13 H -0.970 8.266 6.613 1.00 . A B . 20 ILE HG13 1 1 18 14354 1 1 20 ILE HG21 H 2.678 8.780 6.588 1.00 . A B . 20 ILE HG21 1 1 18 14355 1 1 20 ILE HG22 H 1.153 9.250 7.340 1.00 . A B . 20 ILE HG22 1 1 18 14356 1 1 20 ILE HG23 H 1.539 9.800 5.710 1.00 . A B . 20 ILE HG23 1 1 18 14357 1 1 20 ILE N N 1.001 6.091 3.937 1.00 . A B . 20 ILE N 1 1 18 14358 1 1 20 ILE O O 3.939 8.016 4.347 1.00 . A B . 20 ILE O 1 1 18 14359 1 1 21 ALA C C 5.696 5.555 3.975 1.00 . A B . 21 ALA C 1 1 18 14360 1 1 21 ALA CA C 4.955 5.641 5.303 1.00 . A B . 21 ALA CA 1 1 18 14361 1 1 21 ALA CB C 5.146 4.375 6.110 1.00 . A B . 21 ALA CB 1 1 18 14362 1 1 21 ALA H H 2.878 5.234 5.295 1.00 . A B . 21 ALA H 1 1 18 14363 1 1 21 ALA HA H 5.371 6.467 5.860 1.00 . A B . 21 ALA HA 1 1 18 14364 1 1 21 ALA HB1 H 4.751 3.536 5.556 1.00 . A B . 21 ALA HB1 1 1 18 14365 1 1 21 ALA HB2 H 4.620 4.463 7.050 1.00 . A B . 21 ALA HB2 1 1 18 14366 1 1 21 ALA HB3 H 6.198 4.218 6.299 1.00 . A B . 21 ALA HB3 1 1 18 14367 1 1 21 ALA N N 3.543 5.930 5.099 1.00 . A B . 21 ALA N 1 1 18 14368 1 1 21 ALA O O 6.869 5.881 3.899 1.00 . A B . 21 ALA O 1 1 18 14369 1 1 22 ILE C C 5.950 6.444 1.111 1.00 . A B . 22 ILE C 1 1 18 14370 1 1 22 ILE CA C 5.585 5.060 1.592 1.00 . A B . 22 ILE CA 1 1 18 14371 1 1 22 ILE CB C 4.638 4.406 0.558 1.00 . A B . 22 ILE CB 1 1 18 14372 1 1 22 ILE CD1 C 3.317 2.288 0.063 1.00 . A B . 22 ILE CD1 1 1 18 14373 1 1 22 ILE CG1 C 4.307 2.979 0.968 1.00 . A B . 22 ILE CG1 1 1 18 14374 1 1 22 ILE CG2 C 5.277 4.424 -0.827 1.00 . A B . 22 ILE CG2 1 1 18 14375 1 1 22 ILE H H 4.058 4.880 3.056 1.00 . A B . 22 ILE H 1 1 18 14376 1 1 22 ILE HA H 6.489 4.472 1.665 1.00 . A B . 22 ILE HA 1 1 18 14377 1 1 22 ILE HB H 3.726 4.983 0.520 1.00 . A B . 22 ILE HB 1 1 18 14378 1 1 22 ILE HD11 H 3.721 2.225 -0.937 1.00 . A B . 22 ILE HD11 1 1 18 14379 1 1 22 ILE HD12 H 2.401 2.860 0.046 1.00 . A B . 22 ILE HD12 1 1 18 14380 1 1 22 ILE HD13 H 3.118 1.295 0.438 1.00 . A B . 22 ILE HD13 1 1 18 14381 1 1 22 ILE HG12 H 5.220 2.405 0.970 1.00 . A B . 22 ILE HG12 1 1 18 14382 1 1 22 ILE HG13 H 3.898 2.991 1.967 1.00 . A B . 22 ILE HG13 1 1 18 14383 1 1 22 ILE HG21 H 6.206 3.872 -0.804 1.00 . A B . 22 ILE HG21 1 1 18 14384 1 1 22 ILE HG22 H 5.469 5.444 -1.124 1.00 . A B . 22 ILE HG22 1 1 18 14385 1 1 22 ILE HG23 H 4.599 3.962 -1.527 1.00 . A B . 22 ILE HG23 1 1 18 14386 1 1 22 ILE N N 4.996 5.142 2.926 1.00 . A B . 22 ILE N 1 1 18 14387 1 1 22 ILE O O 7.075 6.683 0.683 1.00 . A B . 22 ILE O 1 1 18 14388 1 1 23 CYS C C 6.230 9.462 1.748 1.00 . A B . 23 CYS C 1 1 18 14389 1 1 23 CYS CA C 5.259 8.747 0.832 1.00 . A B . 23 CYS CA 1 1 18 14390 1 1 23 CYS CB C 3.945 9.493 0.797 1.00 . A B . 23 CYS CB 1 1 18 14391 1 1 23 CYS H H 4.164 7.113 1.666 1.00 . A B . 23 CYS H 1 1 18 14392 1 1 23 CYS HA H 5.668 8.717 -0.167 1.00 . A B . 23 CYS HA 1 1 18 14393 1 1 23 CYS HB2 H 3.419 9.257 1.713 1.00 . A B . 23 CYS HB2 1 1 18 14394 1 1 23 CYS HB3 H 4.158 10.546 0.780 1.00 . A B . 23 CYS HB3 1 1 18 14395 1 1 23 CYS N N 5.032 7.373 1.278 1.00 . A B . 23 CYS N 1 1 18 14396 1 1 23 CYS O O 6.914 10.410 1.356 1.00 . A B . 23 CYS O 1 1 18 14397 1 1 23 CYS SG S 2.873 9.031 -0.595 1.00 . A B . 23 CYS SG 1 1 18 14398 1 1 24 GLY C C 8.687 9.003 3.488 1.00 . A B . 24 GLY C 1 1 18 14399 1 1 24 GLY CA C 7.289 9.464 3.869 1.00 . A B . 24 GLY CA 1 1 18 14400 1 1 24 GLY H H 5.642 8.308 3.184 1.00 . A B . 24 GLY H 1 1 18 14401 1 1 24 GLY HA2 H 7.254 10.544 3.882 1.00 . A B . 24 GLY HA2 1 1 18 14402 1 1 24 GLY HA3 H 7.056 9.090 4.853 1.00 . A B . 24 GLY HA3 1 1 18 14403 1 1 24 GLY N N 6.312 8.978 2.942 1.00 . A B . 24 GLY N 1 1 18 14404 1 1 24 GLY O O 9.636 9.765 3.555 1.00 . A B . 24 GLY O 1 1 18 14405 1 1 25 MET C C 10.374 7.209 1.205 1.00 . A B . 25 MET C 1 1 18 14406 1 1 25 MET CA C 10.084 7.171 2.686 1.00 . A B . 25 MET CA 1 1 18 14407 1 1 25 MET CB C 10.200 5.743 3.205 1.00 . A B . 25 MET CB 1 1 18 14408 1 1 25 MET CE C 8.925 3.139 4.609 1.00 . A B . 25 MET CE 1 1 18 14409 1 1 25 MET CG C 10.196 5.624 4.711 1.00 . A B . 25 MET CG 1 1 18 14410 1 1 25 MET H H 7.980 7.224 2.920 1.00 . A B . 25 MET H 1 1 18 14411 1 1 25 MET HA H 10.835 7.773 3.167 1.00 . A B . 25 MET HA 1 1 18 14412 1 1 25 MET HB2 H 9.362 5.178 2.824 1.00 . A B . 25 MET HB2 1 1 18 14413 1 1 25 MET HB3 H 11.115 5.309 2.829 1.00 . A B . 25 MET HB3 1 1 18 14414 1 1 25 MET HE1 H 8.905 2.100 4.904 1.00 . A B . 25 MET HE1 1 1 18 14415 1 1 25 MET HE2 H 8.936 3.208 3.533 1.00 . A B . 25 MET HE2 1 1 18 14416 1 1 25 MET HE3 H 8.048 3.639 4.992 1.00 . A B . 25 MET HE3 1 1 18 14417 1 1 25 MET HG2 H 11.004 6.220 5.109 1.00 . A B . 25 MET HG2 1 1 18 14418 1 1 25 MET HG3 H 9.255 6.005 5.082 1.00 . A B . 25 MET HG3 1 1 18 14419 1 1 25 MET N N 8.791 7.768 3.027 1.00 . A B . 25 MET N 1 1 18 14420 1 1 25 MET O O 11.218 6.466 0.707 1.00 . A B . 25 MET O 1 1 18 14421 1 1 25 MET SD S 10.397 3.922 5.277 1.00 . A B . 25 MET SD 1 1 18 14422 1 1 26 SER C C 11.235 9.204 -1.124 1.00 . A B . 26 SER C 1 1 18 14423 1 1 26 SER CA C 10.004 8.304 -0.900 1.00 . A B . 26 SER CA 1 1 18 14424 1 1 26 SER CB C 8.756 8.871 -1.586 1.00 . A B . 26 SER CB 1 1 18 14425 1 1 26 SER H H 9.166 8.725 1.017 1.00 . A B . 26 SER H 1 1 18 14426 1 1 26 SER HA H 10.225 7.328 -1.307 1.00 . A B . 26 SER HA 1 1 18 14427 1 1 26 SER HB2 H 8.439 9.757 -1.058 1.00 . A B . 26 SER HB2 1 1 18 14428 1 1 26 SER HB3 H 8.993 9.117 -2.611 1.00 . A B . 26 SER HB3 1 1 18 14429 1 1 26 SER HG H 7.701 7.447 -0.725 1.00 . A B . 26 SER HG 1 1 18 14430 1 1 26 SER N N 9.768 8.128 0.525 1.00 . A B . 26 SER N 1 1 18 14431 1 1 26 SER O O 11.331 9.939 -2.107 1.00 . A B . 26 SER O 1 1 18 14432 1 1 26 SER OG O 7.683 7.926 -1.566 1.00 . A B . 26 SER OG 1 1 18 14433 1 1 27 THR C C 14.352 9.180 -1.331 1.00 . A B . 27 THR C 1 1 18 14434 1 1 27 THR CA C 13.442 9.807 -0.263 1.00 . A B . 27 THR CA 1 1 18 14435 1 1 27 THR CB C 14.093 9.750 1.128 1.00 . A B . 27 THR CB 1 1 18 14436 1 1 27 THR CG2 C 15.225 10.757 1.266 1.00 . A B . 27 THR CG2 1 1 18 14437 1 1 27 THR H H 12.055 8.452 0.523 1.00 . A B . 27 THR H 1 1 18 14438 1 1 27 THR HA H 13.227 10.822 -0.533 1.00 . A B . 27 THR HA 1 1 18 14439 1 1 27 THR HB H 14.468 8.751 1.285 1.00 . A B . 27 THR HB 1 1 18 14440 1 1 27 THR HG1 H 12.744 10.916 1.965 1.00 . A B . 27 THR HG1 1 1 18 14441 1 1 27 THR HG21 H 14.841 11.757 1.121 1.00 . A B . 27 THR HG21 1 1 18 14442 1 1 27 THR HG22 H 15.980 10.549 0.524 1.00 . A B . 27 THR HG22 1 1 18 14443 1 1 27 THR HG23 H 15.659 10.679 2.253 1.00 . A B . 27 THR HG23 1 1 18 14444 1 1 27 THR N N 12.198 9.075 -0.221 1.00 . A B . 27 THR N 1 1 18 14445 1 1 27 THR O O 15.326 9.763 -1.795 1.00 . A B . 27 THR O 1 1 18 14446 1 1 27 THR OG1 O 13.086 10.028 2.124 1.00 . A B . 27 THR OG1 1 1 18 14447 1 1 28 TRP C C 13.475 6.508 -3.462 1.00 . A B . 28 TRP C 1 1 18 14448 1 1 28 TRP CA C 14.592 7.240 -2.740 1.00 . A B . 28 TRP CA 1 1 18 14449 1 1 28 TRP CB C 15.673 6.255 -2.193 1.00 . A B . 28 TRP CB 1 1 18 14450 1 1 28 TRP CD1 C 14.792 3.939 -1.489 1.00 . A B . 28 TRP CD1 1 1 18 14451 1 1 28 TRP CD2 C 15.025 5.378 0.206 1.00 . A B . 28 TRP CD2 1 1 18 14452 1 1 28 TRP CE2 C 14.531 4.165 0.714 1.00 . A B . 28 TRP CE2 1 1 18 14453 1 1 28 TRP CE3 C 15.255 6.429 1.086 1.00 . A B . 28 TRP CE3 1 1 18 14454 1 1 28 TRP CG C 15.175 5.219 -1.210 1.00 . A B . 28 TRP CG 1 1 18 14455 1 1 28 TRP CH2 C 14.494 5.029 2.905 1.00 . A B . 28 TRP CH2 1 1 18 14456 1 1 28 TRP CZ2 C 14.260 3.979 2.065 1.00 . A B . 28 TRP CZ2 1 1 18 14457 1 1 28 TRP CZ3 C 14.989 6.245 2.428 1.00 . A B . 28 TRP CZ3 1 1 18 14458 1 1 28 TRP H H 13.189 7.669 -1.229 1.00 . A B . 28 TRP H 1 1 18 14459 1 1 28 TRP HA H 15.041 7.937 -3.433 1.00 . A B . 28 TRP HA 1 1 18 14460 1 1 28 TRP HB2 H 16.110 5.722 -3.024 1.00 . A B . 28 TRP HB2 1 1 18 14461 1 1 28 TRP HB3 H 16.447 6.833 -1.708 1.00 . A B . 28 TRP HB3 1 1 18 14462 1 1 28 TRP HD1 H 14.795 3.504 -2.477 1.00 . A B . 28 TRP HD1 1 1 18 14463 1 1 28 TRP HE1 H 14.075 2.376 -0.265 1.00 . A B . 28 TRP HE1 1 1 18 14464 1 1 28 TRP HE3 H 15.644 7.366 0.723 1.00 . A B . 28 TRP HE3 1 1 18 14465 1 1 28 TRP HH2 H 14.299 4.927 3.963 1.00 . A B . 28 TRP HH2 1 1 18 14466 1 1 28 TRP HZ2 H 13.878 3.044 2.446 1.00 . A B . 28 TRP HZ2 1 1 18 14467 1 1 28 TRP HZ3 H 15.160 7.052 3.125 1.00 . A B . 28 TRP HZ3 1 1 18 14468 1 1 28 TRP N N 13.978 8.009 -1.697 1.00 . A B . 28 TRP N 1 1 18 14469 1 1 28 TRP NE1 N 14.399 3.303 -0.336 1.00 . A B . 28 TRP NE1 1 1 18 14470 1 1 28 TRP O O 12.444 6.200 -2.854 1.00 . A B . 28 TRP O 1 1 18 14471 1 1 29 SER C C 13.095 4.259 -5.951 1.00 . A B . 29 SER C 1 1 18 14472 1 1 29 SER CA C 12.617 5.627 -5.506 1.00 . A B . 29 SER CA 1 1 18 14473 1 1 29 SER CB C 12.269 6.491 -6.706 1.00 . A B . 29 SER CB 1 1 18 14474 1 1 29 SER H H 14.482 6.515 -5.168 1.00 . A B . 29 SER H 1 1 18 14475 1 1 29 SER HA H 11.740 5.516 -4.887 1.00 . A B . 29 SER HA 1 1 18 14476 1 1 29 SER HB2 H 13.128 6.557 -7.355 1.00 . A B . 29 SER HB2 1 1 18 14477 1 1 29 SER HB3 H 11.440 6.054 -7.242 1.00 . A B . 29 SER HB3 1 1 18 14478 1 1 29 SER HG H 12.431 7.991 -5.494 1.00 . A B . 29 SER HG 1 1 18 14479 1 1 29 SER N N 13.639 6.275 -4.727 1.00 . A B . 29 SER N 1 1 18 14480 1 1 29 SER O O 13.782 4.129 -6.960 1.00 . A B . 29 SER O 1 1 18 14481 1 1 29 SER OG O 11.909 7.797 -6.284 1.00 . A B . 29 SER OG 1 1 18 14482 1 1 30 NH2 HN1 H 12.227 3.441 -4.394 1.00 . A B . 30 NH2 HN1 1 1 18 14483 1 1 30 NH2 HN2 H 13.111 2.361 -5.418 1.00 . A B . 30 NH2 HN2 1 1 18 14484 1 1 30 NH2 N N 12.780 3.251 -5.182 1.00 . A B . 30 NH2 N 1 1 18 14485 2 2 1 PCA C C -12.923 3.303 -4.540 1.00 . B A . 1 PCA C 1 1 18 14486 2 2 1 PCA CA C -14.265 3.931 -4.240 1.00 . B A . 1 PCA CA 1 1 18 14487 2 2 1 PCA CB C -15.398 3.010 -4.666 1.00 . B A . 1 PCA CB 1 1 18 14488 2 2 1 PCA CD C -15.194 4.913 -6.090 1.00 . B A . 1 PCA CD 1 1 18 14489 2 2 1 PCA CG C -16.060 3.684 -5.859 1.00 . B A . 1 PCA CG 1 1 18 14490 2 2 1 PCA HA H -14.292 4.152 -3.187 1.00 . B A . 1 PCA HA 1 1 18 14491 2 2 1 PCA HB2 H -14.996 2.041 -4.963 1.00 . B A . 1 PCA HB2 1 1 18 14492 2 2 1 PCA HB3 H -16.114 2.888 -3.854 1.00 . B A . 1 PCA HB3 1 1 18 14493 2 2 1 PCA HG2 H -16.049 3.020 -6.724 1.00 . B A . 1 PCA HG2 1 1 18 14494 2 2 1 PCA HG3 H -17.074 4.002 -5.620 1.00 . B A . 1 PCA HG3 1 1 18 14495 2 2 1 PCA N N -14.415 5.161 -5.035 1.00 . B A . 1 PCA N 1 1 18 14496 2 2 1 PCA O O -12.666 2.126 -4.258 1.00 . B A . 1 PCA O 1 1 18 14497 2 2 1 PCA OE O -15.194 5.563 -7.138 1.00 . B A . 1 PCA OE 1 1 18 14498 2 2 2 LEU C C -9.885 3.203 -4.427 1.00 . B A . 2 LEU C 1 1 18 14499 2 2 2 LEU CA C -10.741 3.817 -5.530 1.00 . B A . 2 LEU CA 1 1 18 14500 2 2 2 LEU CB C -10.076 5.089 -6.083 1.00 . B A . 2 LEU CB 1 1 18 14501 2 2 2 LEU CD1 C -8.701 4.041 -7.911 1.00 . B A . 2 LEU CD1 1 1 18 14502 2 2 2 LEU CD2 C -8.099 6.301 -7.032 1.00 . B A . 2 LEU CD2 1 1 18 14503 2 2 2 LEU CG C -8.677 4.940 -6.688 1.00 . B A . 2 LEU CG 1 1 18 14504 2 2 2 LEU H H -12.440 5.058 -5.092 1.00 . B A . 2 LEU H 1 1 18 14505 2 2 2 LEU HA H -10.829 3.105 -6.332 1.00 . B A . 2 LEU HA 1 1 18 14506 2 2 2 LEU HB2 H -10.722 5.495 -6.848 1.00 . B A . 2 LEU HB2 1 1 18 14507 2 2 2 LEU HB3 H -10.018 5.808 -5.278 1.00 . B A . 2 LEU HB3 1 1 18 14508 2 2 2 LEU HD11 H -7.706 3.969 -8.324 1.00 . B A . 2 LEU HD11 1 1 18 14509 2 2 2 LEU HD12 H -9.369 4.459 -8.648 1.00 . B A . 2 LEU HD12 1 1 18 14510 2 2 2 LEU HD13 H -9.046 3.056 -7.630 1.00 . B A . 2 LEU HD13 1 1 18 14511 2 2 2 LEU HD21 H -7.123 6.174 -7.475 1.00 . B A . 2 LEU HD21 1 1 18 14512 2 2 2 LEU HD22 H -8.014 6.897 -6.134 1.00 . B A . 2 LEU HD22 1 1 18 14513 2 2 2 LEU HD23 H -8.753 6.799 -7.733 1.00 . B A . 2 LEU HD23 1 1 18 14514 2 2 2 LEU HG H -8.032 4.478 -5.956 1.00 . B A . 2 LEU HG 1 1 18 14515 2 2 2 LEU N N -12.077 4.147 -5.055 1.00 . B A . 2 LEU N 1 1 18 14516 2 2 2 LEU O O -9.329 2.104 -4.586 1.00 . B A . 2 LEU O 1 1 18 14517 2 2 3 TYR C C -9.552 2.230 -1.546 1.00 . B A . 3 TYR C 1 1 18 14518 2 2 3 TYR CA C -9.008 3.479 -2.176 1.00 . B A . 3 TYR CA 1 1 18 14519 2 2 3 TYR CB C -8.929 4.598 -1.150 1.00 . B A . 3 TYR CB 1 1 18 14520 2 2 3 TYR CD1 C -8.553 6.741 -2.439 1.00 . B A . 3 TYR CD1 1 1 18 14521 2 2 3 TYR CD2 C -6.754 5.869 -1.149 1.00 . B A . 3 TYR CD2 1 1 18 14522 2 2 3 TYR CE1 C -7.763 7.789 -2.847 1.00 . B A . 3 TYR CE1 1 1 18 14523 2 2 3 TYR CE2 C -5.956 6.920 -1.550 1.00 . B A . 3 TYR CE2 1 1 18 14524 2 2 3 TYR CG C -8.065 5.760 -1.584 1.00 . B A . 3 TYR CG 1 1 18 14525 2 2 3 TYR CZ C -6.467 7.877 -2.401 1.00 . B A . 3 TYR CZ 1 1 18 14526 2 2 3 TYR H H -10.370 4.703 -3.261 1.00 . B A . 3 TYR H 1 1 18 14527 2 2 3 TYR HA H -8.012 3.274 -2.537 1.00 . B A . 3 TYR HA 1 1 18 14528 2 2 3 TYR HB2 H -9.931 4.968 -0.988 1.00 . B A . 3 TYR HB2 1 1 18 14529 2 2 3 TYR HB3 H -8.563 4.188 -0.225 1.00 . B A . 3 TYR HB3 1 1 18 14530 2 2 3 TYR HD1 H -9.573 6.672 -2.789 1.00 . B A . 3 TYR HD1 1 1 18 14531 2 2 3 TYR HD2 H -6.357 5.118 -0.482 1.00 . B A . 3 TYR HD2 1 1 18 14532 2 2 3 TYR HE1 H -8.163 8.540 -3.512 1.00 . B A . 3 TYR HE1 1 1 18 14533 2 2 3 TYR HE2 H -4.938 6.980 -1.197 1.00 . B A . 3 TYR HE2 1 1 18 14534 2 2 3 TYR HH H -6.187 9.734 -2.725 1.00 . B A . 3 TYR HH 1 1 18 14535 2 2 3 TYR N N -9.821 3.891 -3.315 1.00 . B A . 3 TYR N 1 1 18 14536 2 2 3 TYR O O -8.815 1.287 -1.265 1.00 . B A . 3 TYR O 1 1 18 14537 2 2 3 TYR OH O -5.675 8.922 -2.820 1.00 . B A . 3 TYR OH 1 1 18 14538 2 2 4 SER C C -11.383 -0.162 -1.651 1.00 . B A . 4 SER C 1 1 18 14539 2 2 4 SER CA C -11.564 1.114 -0.792 1.00 . B A . 4 SER CA 1 1 18 14540 2 2 4 SER CB C -13.027 1.513 -0.671 1.00 . B A . 4 SER CB 1 1 18 14541 2 2 4 SER H H -11.308 3.075 -1.522 1.00 . B A . 4 SER H 1 1 18 14542 2 2 4 SER HA H -11.177 0.922 0.198 1.00 . B A . 4 SER HA 1 1 18 14543 2 2 4 SER HB2 H -13.442 1.659 -1.657 1.00 . B A . 4 SER HB2 1 1 18 14544 2 2 4 SER HB3 H -13.583 0.752 -0.147 1.00 . B A . 4 SER HB3 1 1 18 14545 2 2 4 SER HG H -14.020 3.094 -0.068 1.00 . B A . 4 SER HG 1 1 18 14546 2 2 4 SER N N -10.834 2.237 -1.340 1.00 . B A . 4 SER N 1 1 18 14547 2 2 4 SER O O -11.317 -1.273 -1.123 1.00 . B A . 4 SER O 1 1 18 14548 2 2 4 SER OG O -13.130 2.740 0.057 1.00 . B A . 4 SER OG 1 1 18 14549 2 2 5 ALA C C -9.649 -1.707 -3.624 1.00 . B A . 5 ALA C 1 1 18 14550 2 2 5 ALA CA C -11.029 -1.106 -3.866 1.00 . B A . 5 ALA CA 1 1 18 14551 2 2 5 ALA CB C -11.189 -0.666 -5.308 1.00 . B A . 5 ALA CB 1 1 18 14552 2 2 5 ALA H H -11.321 0.919 -3.332 1.00 . B A . 5 ALA H 1 1 18 14553 2 2 5 ALA HA H -11.773 -1.857 -3.643 1.00 . B A . 5 ALA HA 1 1 18 14554 2 2 5 ALA HB1 H -10.429 0.062 -5.548 1.00 . B A . 5 ALA HB1 1 1 18 14555 2 2 5 ALA HB2 H -12.162 -0.215 -5.433 1.00 . B A . 5 ALA HB2 1 1 18 14556 2 2 5 ALA HB3 H -11.100 -1.519 -5.964 1.00 . B A . 5 ALA HB3 1 1 18 14557 2 2 5 ALA N N -11.250 0.013 -2.962 1.00 . B A . 5 ALA N 1 1 18 14558 2 2 5 ALA O O -9.499 -2.935 -3.533 1.00 . B A . 5 ALA O 1 1 18 14559 2 2 6 LEU C C -7.289 -1.969 -1.816 1.00 . B A . 6 LEU C 1 1 18 14560 2 2 6 LEU CA C -7.284 -1.261 -3.159 1.00 . B A . 6 LEU CA 1 1 18 14561 2 2 6 LEU CB C -6.312 -0.057 -3.106 1.00 . B A . 6 LEU CB 1 1 18 14562 2 2 6 LEU CD1 C -4.196 -1.267 -3.757 1.00 . B A . 6 LEU CD1 1 1 18 14563 2 2 6 LEU CD2 C -4.032 0.893 -2.504 1.00 . B A . 6 LEU CD2 1 1 18 14564 2 2 6 LEU CG C -4.851 -0.378 -2.720 1.00 . B A . 6 LEU CG 1 1 18 14565 2 2 6 LEU H H -8.837 0.125 -3.580 1.00 . B A . 6 LEU H 1 1 18 14566 2 2 6 LEU HA H -6.966 -1.956 -3.922 1.00 . B A . 6 LEU HA 1 1 18 14567 2 2 6 LEU HB2 H -6.308 0.413 -4.079 1.00 . B A . 6 LEU HB2 1 1 18 14568 2 2 6 LEU HB3 H -6.700 0.653 -2.390 1.00 . B A . 6 LEU HB3 1 1 18 14569 2 2 6 LEU HD11 H -4.217 -0.772 -4.717 1.00 . B A . 6 LEU HD11 1 1 18 14570 2 2 6 LEU HD12 H -4.726 -2.206 -3.820 1.00 . B A . 6 LEU HD12 1 1 18 14571 2 2 6 LEU HD13 H -3.171 -1.450 -3.473 1.00 . B A . 6 LEU HD13 1 1 18 14572 2 2 6 LEU HD21 H -4.475 1.480 -1.715 1.00 . B A . 6 LEU HD21 1 1 18 14573 2 2 6 LEU HD22 H -4.017 1.474 -3.414 1.00 . B A . 6 LEU HD22 1 1 18 14574 2 2 6 LEU HD23 H -3.017 0.642 -2.226 1.00 . B A . 6 LEU HD23 1 1 18 14575 2 2 6 LEU HG H -4.872 -0.925 -1.788 1.00 . B A . 6 LEU HG 1 1 18 14576 2 2 6 LEU N N -8.647 -0.831 -3.473 1.00 . B A . 6 LEU N 1 1 18 14577 2 2 6 LEU O O -6.629 -2.994 -1.638 1.00 . B A . 6 LEU O 1 1 18 14578 2 2 7 ALA C C -8.730 -3.394 0.372 1.00 . B A . 7 ALA C 1 1 18 14579 2 2 7 ALA CA C -8.222 -1.969 0.435 1.00 . B A . 7 ALA CA 1 1 18 14580 2 2 7 ALA CB C -9.151 -1.101 1.271 1.00 . B A . 7 ALA CB 1 1 18 14581 2 2 7 ALA H H -8.527 -0.582 -1.119 1.00 . B A . 7 ALA H 1 1 18 14582 2 2 7 ALA HA H -7.250 -1.976 0.904 1.00 . B A . 7 ALA HA 1 1 18 14583 2 2 7 ALA HB1 H -8.775 -0.090 1.296 1.00 . B A . 7 ALA HB1 1 1 18 14584 2 2 7 ALA HB2 H -9.204 -1.493 2.276 1.00 . B A . 7 ALA HB2 1 1 18 14585 2 2 7 ALA HB3 H -10.137 -1.107 0.830 1.00 . B A . 7 ALA HB3 1 1 18 14586 2 2 7 ALA N N -8.061 -1.418 -0.891 1.00 . B A . 7 ALA N 1 1 18 14587 2 2 7 ALA O O -8.121 -4.290 0.936 1.00 . B A . 7 ALA O 1 1 18 14588 2 2 8 ASN C C -9.431 -5.889 -1.146 1.00 . B A . 8 ASN C 1 1 18 14589 2 2 8 ASN CA C -10.412 -4.931 -0.511 1.00 . B A . 8 ASN CA 1 1 18 14590 2 2 8 ASN CB C -11.695 -4.887 -1.359 1.00 . B A . 8 ASN CB 1 1 18 14591 2 2 8 ASN CG C -12.820 -4.113 -0.710 1.00 . B A . 8 ASN CG 1 1 18 14592 2 2 8 ASN H H -10.237 -2.822 -0.789 1.00 . B A . 8 ASN H 1 1 18 14593 2 2 8 ASN HA H -10.661 -5.297 0.475 1.00 . B A . 8 ASN HA 1 1 18 14594 2 2 8 ASN HB2 H -11.472 -4.418 -2.306 1.00 . B A . 8 ASN HB2 1 1 18 14595 2 2 8 ASN HB3 H -12.032 -5.897 -1.538 1.00 . B A . 8 ASN HB3 1 1 18 14596 2 2 8 ASN HD21 H -13.489 -3.553 -2.485 1.00 . B A . 8 ASN HD21 1 1 18 14597 2 2 8 ASN HD22 H -14.382 -2.963 -1.142 1.00 . B A . 8 ASN HD22 1 1 18 14598 2 2 8 ASN N N -9.817 -3.599 -0.354 1.00 . B A . 8 ASN N 1 1 18 14599 2 2 8 ASN ND2 N -13.641 -3.487 -1.515 1.00 . B A . 8 ASN ND2 1 1 18 14600 2 2 8 ASN O O -9.181 -6.962 -0.627 1.00 . B A . 8 ASN O 1 1 18 14601 2 2 8 ASN OD1 O -12.942 -4.067 0.525 1.00 . B A . 8 ASN OD1 1 1 18 14602 2 2 9 LYS C C -6.716 -6.701 -2.140 1.00 . B A . 9 LYS C 1 1 18 14603 2 2 9 LYS CA C -7.900 -6.281 -3.007 1.00 . B A . 9 LYS CA 1 1 18 14604 2 2 9 LYS CB C -7.411 -5.482 -4.226 1.00 . B A . 9 LYS CB 1 1 18 14605 2 2 9 LYS CD C -6.188 -5.332 -6.400 1.00 . B A . 9 LYS CD 1 1 18 14606 2 2 9 LYS CE C -5.668 -6.047 -7.646 1.00 . B A . 9 LYS CE 1 1 18 14607 2 2 9 LYS CG C -6.712 -6.282 -5.325 1.00 . B A . 9 LYS CG 1 1 18 14608 2 2 9 LYS H H -9.024 -4.545 -2.542 1.00 . B A . 9 LYS H 1 1 18 14609 2 2 9 LYS HA H -8.393 -7.184 -3.331 1.00 . B A . 9 LYS HA 1 1 18 14610 2 2 9 LYS HB2 H -8.240 -4.945 -4.662 1.00 . B A . 9 LYS HB2 1 1 18 14611 2 2 9 LYS HB3 H -6.709 -4.746 -3.861 1.00 . B A . 9 LYS HB3 1 1 18 14612 2 2 9 LYS HD2 H -7.001 -4.689 -6.700 1.00 . B A . 9 LYS HD2 1 1 18 14613 2 2 9 LYS HD3 H -5.397 -4.732 -5.977 1.00 . B A . 9 LYS HD3 1 1 18 14614 2 2 9 LYS HE2 H -5.162 -5.328 -8.273 1.00 . B A . 9 LYS HE2 1 1 18 14615 2 2 9 LYS HE3 H -4.966 -6.808 -7.343 1.00 . B A . 9 LYS HE3 1 1 18 14616 2 2 9 LYS HG2 H -5.887 -6.829 -4.894 1.00 . B A . 9 LYS HG2 1 1 18 14617 2 2 9 LYS HG3 H -7.416 -6.970 -5.771 1.00 . B A . 9 LYS HG3 1 1 18 14618 2 2 9 LYS HZ1 H -7.455 -5.966 -8.701 1.00 . B A . 9 LYS HZ1 1 1 18 14619 2 2 9 LYS HZ2 H -7.241 -7.416 -7.884 1.00 . B A . 9 LYS HZ2 1 1 18 14620 2 2 9 LYS HZ3 H -6.385 -7.115 -9.299 1.00 . B A . 9 LYS HZ3 1 1 18 14621 2 2 9 LYS N N -8.830 -5.458 -2.232 1.00 . B A . 9 LYS N 1 1 18 14622 2 2 9 LYS NZ N -6.750 -6.679 -8.427 1.00 . B A . 9 LYS NZ 1 1 18 14623 2 2 9 LYS O O -6.333 -7.873 -2.121 1.00 . B A . 9 LYS O 1 1 18 14624 2 2 10 CYS C C -5.445 -6.863 0.639 1.00 . B A . 10 CYS C 1 1 18 14625 2 2 10 CYS CA C -5.040 -6.009 -0.550 1.00 . B A . 10 CYS CA 1 1 18 14626 2 2 10 CYS CB C -4.462 -4.687 -0.066 1.00 . B A . 10 CYS CB 1 1 18 14627 2 2 10 CYS H H -6.562 -4.856 -1.427 1.00 . B A . 10 CYS H 1 1 18 14628 2 2 10 CYS HA H -4.275 -6.547 -1.099 1.00 . B A . 10 CYS HA 1 1 18 14629 2 2 10 CYS HB2 H -4.452 -3.972 -0.873 1.00 . B A . 10 CYS HB2 1 1 18 14630 2 2 10 CYS HB3 H -5.103 -4.308 0.716 1.00 . B A . 10 CYS HB3 1 1 18 14631 2 2 10 CYS N N -6.184 -5.764 -1.402 1.00 . B A . 10 CYS N 1 1 18 14632 2 2 10 CYS O O -4.675 -7.694 1.113 1.00 . B A . 10 CYS O 1 1 18 14633 2 2 10 CYS SG S -2.787 -4.818 0.617 1.00 . B A . 10 CYS SG 1 1 18 14634 2 2 11 CYS C C -7.430 -8.870 1.823 1.00 . B A . 11 CYS C 1 1 18 14635 2 2 11 CYS CA C -7.138 -7.420 2.221 1.00 . B A . 11 CYS CA 1 1 18 14636 2 2 11 CYS CB C -8.379 -6.748 2.817 1.00 . B A . 11 CYS CB 1 1 18 14637 2 2 11 CYS H H -7.257 -6.026 0.676 1.00 . B A . 11 CYS H 1 1 18 14638 2 2 11 CYS HA H -6.350 -7.418 2.961 1.00 . B A . 11 CYS HA 1 1 18 14639 2 2 11 CYS HB2 H -8.271 -5.676 2.757 1.00 . B A . 11 CYS HB2 1 1 18 14640 2 2 11 CYS HB3 H -9.241 -7.040 2.233 1.00 . B A . 11 CYS HB3 1 1 18 14641 2 2 11 CYS N N -6.663 -6.690 1.090 1.00 . B A . 11 CYS N 1 1 18 14642 2 2 11 CYS O O -7.284 -9.790 2.640 1.00 . B A . 11 CYS O 1 1 18 14643 2 2 11 CYS SG S -8.704 -7.204 4.550 1.00 . B A . 11 CYS SG 1 1 18 14644 2 2 12 HIS C C -6.825 -11.138 -0.352 1.00 . B A . 12 HIS C 1 1 18 14645 2 2 12 HIS CA C -8.090 -10.428 0.082 1.00 . B A . 12 HIS CA 1 1 18 14646 2 2 12 HIS CB C -9.124 -10.433 -1.055 1.00 . B A . 12 HIS CB 1 1 18 14647 2 2 12 HIS CD2 C -11.117 -9.143 -0.029 1.00 . B A . 12 HIS CD2 1 1 18 14648 2 2 12 HIS CE1 C -12.662 -10.640 -0.251 1.00 . B A . 12 HIS CE1 1 1 18 14649 2 2 12 HIS CG C -10.536 -10.219 -0.602 1.00 . B A . 12 HIS CG 1 1 18 14650 2 2 12 HIS H H -7.947 -8.322 -0.049 1.00 . B A . 12 HIS H 1 1 18 14651 2 2 12 HIS HA H -8.503 -10.980 0.913 1.00 . B A . 12 HIS HA 1 1 18 14652 2 2 12 HIS HB2 H -8.879 -9.641 -1.747 1.00 . B A . 12 HIS HB2 1 1 18 14653 2 2 12 HIS HB3 H -9.072 -11.379 -1.573 1.00 . B A . 12 HIS HB3 1 1 18 14654 2 2 12 HIS HD1 H -11.420 -12.056 -1.121 1.00 . B A . 12 HIS HD1 1 1 18 14655 2 2 12 HIS HD2 H -10.602 -8.225 0.217 1.00 . B A . 12 HIS HD2 1 1 18 14656 2 2 12 HIS HE1 H -13.611 -11.155 -0.225 1.00 . B A . 12 HIS HE1 1 1 18 14657 2 2 12 HIS N N -7.821 -9.085 0.566 1.00 . B A . 12 HIS N 1 1 18 14658 2 2 12 HIS ND1 N -11.532 -11.160 -0.733 1.00 . B A . 12 HIS ND1 1 1 18 14659 2 2 12 HIS NE2 N -12.465 -9.407 0.195 1.00 . B A . 12 HIS NE2 1 1 18 14660 2 2 12 HIS O O -6.487 -12.204 0.173 1.00 . B A . 12 HIS O 1 1 18 14661 2 2 13 VAL C C -3.678 -10.410 -1.449 1.00 . B A . 13 VAL C 1 1 18 14662 2 2 13 VAL CA C -4.936 -11.180 -1.827 1.00 . B A . 13 VAL CA 1 1 18 14663 2 2 13 VAL CB C -5.042 -11.400 -3.372 1.00 . B A . 13 VAL CB 1 1 18 14664 2 2 13 VAL CG1 C -6.115 -12.426 -3.672 1.00 . B A . 13 VAL CG1 1 1 18 14665 2 2 13 VAL CG2 C -5.377 -10.114 -4.123 1.00 . B A . 13 VAL CG2 1 1 18 14666 2 2 13 VAL H H -6.395 -9.668 -1.604 1.00 . B A . 13 VAL H 1 1 18 14667 2 2 13 VAL HA H -4.865 -12.148 -1.353 1.00 . B A . 13 VAL HA 1 1 18 14668 2 2 13 VAL HB H -4.077 -11.753 -3.703 1.00 . B A . 13 VAL HB 1 1 18 14669 2 2 13 VAL HG11 H -7.056 -12.050 -3.294 1.00 . B A . 13 VAL HG11 1 1 18 14670 2 2 13 VAL HG12 H -5.873 -13.356 -3.182 1.00 . B A . 13 VAL HG12 1 1 18 14671 2 2 13 VAL HG13 H -6.190 -12.576 -4.738 1.00 . B A . 13 VAL HG13 1 1 18 14672 2 2 13 VAL HG21 H -4.592 -9.389 -3.971 1.00 . B A . 13 VAL HG21 1 1 18 14673 2 2 13 VAL HG22 H -6.314 -9.719 -3.757 1.00 . B A . 13 VAL HG22 1 1 18 14674 2 2 13 VAL HG23 H -5.470 -10.332 -5.176 1.00 . B A . 13 VAL HG23 1 1 18 14675 2 2 13 VAL N N -6.123 -10.558 -1.284 1.00 . B A . 13 VAL N 1 1 18 14676 2 2 13 VAL O O -2.718 -10.972 -0.905 1.00 . B A . 13 VAL O 1 1 18 14677 2 2 14 GLY C C -2.524 -7.156 -2.323 1.00 . B A . 14 GLY C 1 1 18 14678 2 2 14 GLY CA C -2.610 -8.298 -1.377 1.00 . B A . 14 GLY CA 1 1 18 14679 2 2 14 GLY H H -4.473 -8.769 -2.175 1.00 . B A . 14 GLY H 1 1 18 14680 2 2 14 GLY HA2 H -2.752 -7.918 -0.377 1.00 . B A . 14 GLY HA2 1 1 18 14681 2 2 14 GLY HA3 H -1.687 -8.847 -1.411 1.00 . B A . 14 GLY HA3 1 1 18 14682 2 2 14 GLY N N -3.699 -9.145 -1.706 1.00 . B A . 14 GLY N 1 1 18 14683 2 2 14 GLY O O -3.300 -7.086 -3.283 1.00 . B A . 14 GLY O 1 1 18 14684 2 2 15 CYS C C 0.001 -4.842 -3.060 1.00 . B A . 15 CYS C 1 1 18 14685 2 2 15 CYS CA C -1.453 -5.112 -2.875 1.00 . B A . 15 CYS CA 1 1 18 14686 2 2 15 CYS CB C -2.142 -3.897 -2.273 1.00 . B A . 15 CYS CB 1 1 18 14687 2 2 15 CYS H H -1.085 -6.350 -1.249 1.00 . B A . 15 CYS H 1 1 18 14688 2 2 15 CYS HA H -1.898 -5.312 -3.836 1.00 . B A . 15 CYS HA 1 1 18 14689 2 2 15 CYS HB2 H -1.843 -3.043 -2.862 1.00 . B A . 15 CYS HB2 1 1 18 14690 2 2 15 CYS HB3 H -3.205 -4.027 -2.372 1.00 . B A . 15 CYS HB3 1 1 18 14691 2 2 15 CYS N N -1.645 -6.261 -2.056 1.00 . B A . 15 CYS N 1 1 18 14692 2 2 15 CYS O O 0.828 -5.173 -2.191 1.00 . B A . 15 CYS O 1 1 18 14693 2 2 15 CYS SG S -1.709 -3.522 -0.520 1.00 . B A . 15 CYS SG 1 1 18 14694 2 2 16 THR C C 2.003 -2.622 -3.844 1.00 . B A . 16 THR C 1 1 18 14695 2 2 16 THR CA C 1.664 -3.950 -4.448 1.00 . B A . 16 THR CA 1 1 18 14696 2 2 16 THR CB C 1.940 -3.990 -5.950 1.00 . B A . 16 THR CB 1 1 18 14697 2 2 16 THR CG2 C 1.957 -5.426 -6.442 1.00 . B A . 16 THR CG2 1 1 18 14698 2 2 16 THR H H -0.352 -3.985 -4.815 1.00 . B A . 16 THR H 1 1 18 14699 2 2 16 THR HA H 2.268 -4.695 -3.964 1.00 . B A . 16 THR HA 1 1 18 14700 2 2 16 THR HB H 2.901 -3.538 -6.147 1.00 . B A . 16 THR HB 1 1 18 14701 2 2 16 THR HG1 H 0.972 -3.501 -7.569 1.00 . B A . 16 THR HG1 1 1 18 14702 2 2 16 THR HG21 H 2.128 -5.442 -7.508 1.00 . B A . 16 THR HG21 1 1 18 14703 2 2 16 THR HG22 H 1.007 -5.889 -6.223 1.00 . B A . 16 THR HG22 1 1 18 14704 2 2 16 THR HG23 H 2.746 -5.969 -5.943 1.00 . B A . 16 THR HG23 1 1 18 14705 2 2 16 THR N N 0.326 -4.261 -4.166 1.00 . B A . 16 THR N 1 1 18 14706 2 2 16 THR O O 1.177 -1.714 -3.821 1.00 . B A . 16 THR O 1 1 18 14707 2 2 16 THR OG1 O 0.927 -3.257 -6.637 1.00 . B A . 16 THR OG1 1 1 18 14708 2 2 17 LYS C C 3.588 -0.090 -3.496 1.00 . B A . 17 LYS C 1 1 18 14709 2 2 17 LYS CA C 3.675 -1.350 -2.637 1.00 . B A . 17 LYS CA 1 1 18 14710 2 2 17 LYS CB C 5.102 -1.625 -2.188 1.00 . B A . 17 LYS CB 1 1 18 14711 2 2 17 LYS CD C 4.905 -1.305 0.282 1.00 . B A . 17 LYS CD 1 1 18 14712 2 2 17 LYS CE C 5.497 -0.610 1.488 1.00 . B A . 17 LYS CE 1 1 18 14713 2 2 17 LYS CG C 5.591 -0.852 -0.997 1.00 . B A . 17 LYS CG 1 1 18 14714 2 2 17 LYS H H 3.800 -3.268 -3.567 1.00 . B A . 17 LYS H 1 1 18 14715 2 2 17 LYS HA H 3.047 -1.170 -1.773 1.00 . B A . 17 LYS HA 1 1 18 14716 2 2 17 LYS HB2 H 5.127 -2.664 -1.902 1.00 . B A . 17 LYS HB2 1 1 18 14717 2 2 17 LYS HB3 H 5.789 -1.458 -3.003 1.00 . B A . 17 LYS HB3 1 1 18 14718 2 2 17 LYS HD2 H 3.852 -1.071 0.226 1.00 . B A . 17 LYS HD2 1 1 18 14719 2 2 17 LYS HD3 H 5.032 -2.372 0.393 1.00 . B A . 17 LYS HD3 1 1 18 14720 2 2 17 LYS HE2 H 6.561 -0.795 1.514 1.00 . B A . 17 LYS HE2 1 1 18 14721 2 2 17 LYS HE3 H 5.320 0.449 1.395 1.00 . B A . 17 LYS HE3 1 1 18 14722 2 2 17 LYS HG2 H 6.649 -1.046 -0.907 1.00 . B A . 17 LYS HG2 1 1 18 14723 2 2 17 LYS HG3 H 5.407 0.199 -1.157 1.00 . B A . 17 LYS HG3 1 1 18 14724 2 2 17 LYS HZ1 H 5.380 -0.612 3.548 1.00 . B A . 17 LYS HZ1 1 1 18 14725 2 2 17 LYS HZ2 H 5.054 -2.099 2.878 1.00 . B A . 17 LYS HZ2 1 1 18 14726 2 2 17 LYS HZ3 H 3.893 -0.883 2.847 1.00 . B A . 17 LYS HZ3 1 1 18 14727 2 2 17 LYS N N 3.201 -2.511 -3.382 1.00 . B A . 17 LYS N 1 1 18 14728 2 2 17 LYS NZ N 4.906 -1.081 2.748 1.00 . B A . 17 LYS NZ 1 1 18 14729 2 2 17 LYS O O 3.192 0.965 -3.012 1.00 . B A . 17 LYS O 1 1 18 14730 2 2 18 ARG C C 2.333 1.269 -5.956 1.00 . B A . 18 ARG C 1 1 18 14731 2 2 18 ARG CA C 3.785 0.878 -5.727 1.00 . B A . 18 ARG CA 1 1 18 14732 2 2 18 ARG CB C 4.442 0.535 -7.056 1.00 . B A . 18 ARG CB 1 1 18 14733 2 2 18 ARG CD C 6.529 0.023 -8.332 1.00 . B A . 18 ARG CD 1 1 18 14734 2 2 18 ARG CG C 5.945 0.376 -6.981 1.00 . B A . 18 ARG CG 1 1 18 14735 2 2 18 ARG CZ C 6.129 0.894 -10.629 1.00 . B A . 18 ARG CZ 1 1 18 14736 2 2 18 ARG H H 4.192 -1.109 -5.093 1.00 . B A . 18 ARG H 1 1 18 14737 2 2 18 ARG HA H 4.301 1.719 -5.289 1.00 . B A . 18 ARG HA 1 1 18 14738 2 2 18 ARG HB2 H 4.022 -0.393 -7.416 1.00 . B A . 18 ARG HB2 1 1 18 14739 2 2 18 ARG HB3 H 4.215 1.316 -7.764 1.00 . B A . 18 ARG HB3 1 1 18 14740 2 2 18 ARG HD2 H 7.595 -0.112 -8.229 1.00 . B A . 18 ARG HD2 1 1 18 14741 2 2 18 ARG HD3 H 6.079 -0.895 -8.680 1.00 . B A . 18 ARG HD3 1 1 18 14742 2 2 18 ARG HE H 6.212 1.981 -8.927 1.00 . B A . 18 ARG HE 1 1 18 14743 2 2 18 ARG HG2 H 6.376 1.309 -6.649 1.00 . B A . 18 ARG HG2 1 1 18 14744 2 2 18 ARG HG3 H 6.192 -0.401 -6.272 1.00 . B A . 18 ARG HG3 1 1 18 14745 2 2 18 ARG HH11 H 6.443 -1.146 -10.637 1.00 . B A . 18 ARG HH11 1 1 18 14746 2 2 18 ARG HH12 H 6.132 -0.463 -12.157 1.00 . B A . 18 ARG HH12 1 1 18 14747 2 2 18 ARG HH21 H 5.803 2.868 -11.047 1.00 . B A . 18 ARG HH21 1 1 18 14748 2 2 18 ARG HH22 H 5.754 1.838 -12.399 1.00 . B A . 18 ARG HH22 1 1 18 14749 2 2 18 ARG N N 3.885 -0.231 -4.780 1.00 . B A . 18 ARG N 1 1 18 14750 2 2 18 ARG NE N 6.276 1.076 -9.313 1.00 . B A . 18 ARG NE 1 1 18 14751 2 2 18 ARG NH1 N 6.244 -0.321 -11.168 1.00 . B A . 18 ARG NH1 1 1 18 14752 2 2 18 ARG NH2 N 5.882 1.933 -11.406 1.00 . B A . 18 ARG NH2 1 1 18 14753 2 2 18 ARG O O 2.034 2.398 -6.315 1.00 . B A . 18 ARG O 1 1 18 14754 2 2 19 SER C C -0.425 1.452 -4.688 1.00 . B A . 19 SER C 1 1 18 14755 2 2 19 SER CA C 0.046 0.597 -5.865 1.00 . B A . 19 SER CA 1 1 18 14756 2 2 19 SER CB C -0.740 -0.726 -5.996 1.00 . B A . 19 SER CB 1 1 18 14757 2 2 19 SER H H 1.730 -0.538 -5.395 1.00 . B A . 19 SER H 1 1 18 14758 2 2 19 SER HA H -0.074 1.177 -6.769 1.00 . B A . 19 SER HA 1 1 18 14759 2 2 19 SER HB2 H -0.295 -1.272 -6.814 1.00 . B A . 19 SER HB2 1 1 18 14760 2 2 19 SER HB3 H -0.627 -1.328 -5.102 1.00 . B A . 19 SER HB3 1 1 18 14761 2 2 19 SER HG H -2.192 0.213 -6.927 1.00 . B A . 19 SER HG 1 1 18 14762 2 2 19 SER N N 1.441 0.343 -5.713 1.00 . B A . 19 SER N 1 1 18 14763 2 2 19 SER O O -1.114 2.437 -4.883 1.00 . B A . 19 SER O 1 1 18 14764 2 2 19 SER OG O -2.120 -0.512 -6.291 1.00 . B A . 19 SER OG 1 1 18 14765 2 2 20 LEU C C 0.366 3.299 -2.424 1.00 . B A . 20 LEU C 1 1 18 14766 2 2 20 LEU CA C -0.358 1.983 -2.316 1.00 . B A . 20 LEU CA 1 1 18 14767 2 2 20 LEU CB C -0.102 1.402 -0.901 1.00 . B A . 20 LEU CB 1 1 18 14768 2 2 20 LEU CD1 C 0.552 -0.994 -1.019 1.00 . B A . 20 LEU CD1 1 1 18 14769 2 2 20 LEU CD2 C -0.747 -0.194 0.900 1.00 . B A . 20 LEU CD2 1 1 18 14770 2 2 20 LEU CG C -0.505 -0.034 -0.581 1.00 . B A . 20 LEU CG 1 1 18 14771 2 2 20 LEU H H 0.569 0.320 -3.361 1.00 . B A . 20 LEU H 1 1 18 14772 2 2 20 LEU HA H -1.401 2.229 -2.432 1.00 . B A . 20 LEU HA 1 1 18 14773 2 2 20 LEU HB2 H 0.909 1.588 -0.583 1.00 . B A . 20 LEU HB2 1 1 18 14774 2 2 20 LEU HB3 H -0.699 2.023 -0.254 1.00 . B A . 20 LEU HB3 1 1 18 14775 2 2 20 LEU HD11 H 0.724 -0.896 -2.081 1.00 . B A . 20 LEU HD11 1 1 18 14776 2 2 20 LEU HD12 H 0.227 -2.001 -0.802 1.00 . B A . 20 LEU HD12 1 1 18 14777 2 2 20 LEU HD13 H 1.465 -0.785 -0.483 1.00 . B A . 20 LEU HD13 1 1 18 14778 2 2 20 LEU HD21 H -1.533 0.470 1.228 1.00 . B A . 20 LEU HD21 1 1 18 14779 2 2 20 LEU HD22 H 0.174 0.042 1.412 1.00 . B A . 20 LEU HD22 1 1 18 14780 2 2 20 LEU HD23 H -1.016 -1.220 1.101 1.00 . B A . 20 LEU HD23 1 1 18 14781 2 2 20 LEU HG H -1.420 -0.274 -1.097 1.00 . B A . 20 LEU HG 1 1 18 14782 2 2 20 LEU N N 0.019 1.128 -3.461 1.00 . B A . 20 LEU N 1 1 18 14783 2 2 20 LEU O O -0.116 4.314 -1.952 1.00 . B A . 20 LEU O 1 1 18 14784 2 2 21 ALA C C 1.591 5.411 -4.222 1.00 . B A . 21 ALA C 1 1 18 14785 2 2 21 ALA CA C 2.329 4.462 -3.304 1.00 . B A . 21 ALA CA 1 1 18 14786 2 2 21 ALA CB C 3.671 4.101 -3.921 1.00 . B A . 21 ALA CB 1 1 18 14787 2 2 21 ALA H H 1.842 2.366 -3.310 1.00 . B A . 21 ALA H 1 1 18 14788 2 2 21 ALA HA H 2.495 4.959 -2.362 1.00 . B A . 21 ALA HA 1 1 18 14789 2 2 21 ALA HB1 H 4.159 3.338 -3.334 1.00 . B A . 21 ALA HB1 1 1 18 14790 2 2 21 ALA HB2 H 4.297 4.981 -3.956 1.00 . B A . 21 ALA HB2 1 1 18 14791 2 2 21 ALA HB3 H 3.512 3.738 -4.925 1.00 . B A . 21 ALA HB3 1 1 18 14792 2 2 21 ALA N N 1.524 3.260 -3.050 1.00 . B A . 21 ALA N 1 1 18 14793 2 2 21 ALA O O 1.636 6.628 -4.055 1.00 . B A . 21 ALA O 1 1 18 14794 2 2 22 ARG C C -1.071 6.209 -5.456 1.00 . B A . 22 ARG C 1 1 18 14795 2 2 22 ARG CA C 0.130 5.563 -6.144 1.00 . B A . 22 ARG CA 1 1 18 14796 2 2 22 ARG CB C -0.316 4.601 -7.259 1.00 . B A . 22 ARG CB 1 1 18 14797 2 2 22 ARG CD C -0.583 6.317 -9.127 1.00 . B A . 22 ARG CD 1 1 18 14798 2 2 22 ARG CG C -1.226 5.178 -8.343 1.00 . B A . 22 ARG CG 1 1 18 14799 2 2 22 ARG CZ C 0.211 8.633 -8.701 1.00 . B A . 22 ARG CZ 1 1 18 14800 2 2 22 ARG H H 0.977 3.857 -5.278 1.00 . B A . 22 ARG H 1 1 18 14801 2 2 22 ARG HA H 0.746 6.335 -6.579 1.00 . B A . 22 ARG HA 1 1 18 14802 2 2 22 ARG HB2 H 0.567 4.219 -7.748 1.00 . B A . 22 ARG HB2 1 1 18 14803 2 2 22 ARG HB3 H -0.828 3.770 -6.795 1.00 . B A . 22 ARG HB3 1 1 18 14804 2 2 22 ARG HD2 H 0.424 6.021 -9.380 1.00 . B A . 22 ARG HD2 1 1 18 14805 2 2 22 ARG HD3 H -1.145 6.483 -10.034 1.00 . B A . 22 ARG HD3 1 1 18 14806 2 2 22 ARG HE H -1.081 7.595 -7.557 1.00 . B A . 22 ARG HE 1 1 18 14807 2 2 22 ARG HG2 H -1.486 4.390 -9.032 1.00 . B A . 22 ARG HG2 1 1 18 14808 2 2 22 ARG HG3 H -2.122 5.542 -7.860 1.00 . B A . 22 ARG HG3 1 1 18 14809 2 2 22 ARG HH11 H 1.071 7.763 -10.330 1.00 . B A . 22 ARG HH11 1 1 18 14810 2 2 22 ARG HH12 H 1.544 9.378 -10.062 1.00 . B A . 22 ARG HH12 1 1 18 14811 2 2 22 ARG HH21 H -0.417 9.782 -7.132 1.00 . B A . 22 ARG HH21 1 1 18 14812 2 2 22 ARG HH22 H 0.685 10.558 -8.168 1.00 . B A . 22 ARG HH22 1 1 18 14813 2 2 22 ARG N N 0.919 4.833 -5.188 1.00 . B A . 22 ARG N 1 1 18 14814 2 2 22 ARG NE N -0.515 7.571 -8.366 1.00 . B A . 22 ARG NE 1 1 18 14815 2 2 22 ARG NH1 N 1.000 8.590 -9.765 1.00 . B A . 22 ARG NH1 1 1 18 14816 2 2 22 ARG NH2 N 0.161 9.730 -7.953 1.00 . B A . 22 ARG NH2 1 1 18 14817 2 2 22 ARG O O -1.518 7.289 -5.840 1.00 . B A . 22 ARG O 1 1 18 14818 2 2 23 PHE C C -2.282 7.082 -2.679 1.00 . B A . 23 PHE C 1 1 18 14819 2 2 23 PHE CA C -2.701 6.071 -3.713 1.00 . B A . 23 PHE CA 1 1 18 14820 2 2 23 PHE CB C -3.512 4.919 -3.112 1.00 . B A . 23 PHE CB 1 1 18 14821 2 2 23 PHE CD1 C -3.757 3.663 -5.295 1.00 . B A . 23 PHE CD1 1 1 18 14822 2 2 23 PHE CD2 C -5.655 3.881 -3.898 1.00 . B A . 23 PHE CD2 1 1 18 14823 2 2 23 PHE CE1 C -4.491 2.951 -6.207 1.00 . B A . 23 PHE CE1 1 1 18 14824 2 2 23 PHE CE2 C -6.396 3.166 -4.808 1.00 . B A . 23 PHE CE2 1 1 18 14825 2 2 23 PHE CG C -4.326 4.141 -4.127 1.00 . B A . 23 PHE CG 1 1 18 14826 2 2 23 PHE CZ C -5.813 2.700 -5.964 1.00 . B A . 23 PHE CZ 1 1 18 14827 2 2 23 PHE H H -1.081 4.762 -4.149 1.00 . B A . 23 PHE H 1 1 18 14828 2 2 23 PHE HA H -3.313 6.593 -4.427 1.00 . B A . 23 PHE HA 1 1 18 14829 2 2 23 PHE HB2 H -2.836 4.226 -2.634 1.00 . B A . 23 PHE HB2 1 1 18 14830 2 2 23 PHE HB3 H -4.192 5.315 -2.372 1.00 . B A . 23 PHE HB3 1 1 18 14831 2 2 23 PHE HD1 H -2.713 3.861 -5.486 1.00 . B A . 23 PHE HD1 1 1 18 14832 2 2 23 PHE HD2 H -6.117 4.246 -2.992 1.00 . B A . 23 PHE HD2 1 1 18 14833 2 2 23 PHE HE1 H -4.027 2.589 -7.112 1.00 . B A . 23 PHE HE1 1 1 18 14834 2 2 23 PHE HE2 H -7.440 2.967 -4.616 1.00 . B A . 23 PHE HE2 1 1 18 14835 2 2 23 PHE HZ H -6.397 2.140 -6.679 1.00 . B A . 23 PHE HZ 1 1 18 14836 2 2 23 PHE N N -1.550 5.576 -4.432 1.00 . B A . 23 PHE N 1 1 18 14837 2 2 23 PHE O O -2.610 8.264 -2.790 1.00 . B A . 23 PHE O 1 1 18 14838 2 2 24 CYS C C -1.995 7.991 0.322 1.00 . B A . 24 CYS C 1 1 18 14839 2 2 24 CYS CA C -0.935 7.416 -0.643 1.00 . B A . 24 CYS CA 1 1 18 14840 2 2 24 CYS CB C -0.014 8.513 -1.202 1.00 . B A . 24 CYS CB 1 1 18 14841 2 2 24 CYS H H -1.312 5.655 -1.774 1.00 . B A . 24 CYS H 1 1 18 14842 2 2 24 CYS HA H -0.331 6.730 -0.066 1.00 . B A . 24 CYS HA 1 1 18 14843 2 2 24 CYS HB2 H 0.671 8.068 -1.909 1.00 . B A . 24 CYS HB2 1 1 18 14844 2 2 24 CYS HB3 H -0.619 9.245 -1.715 1.00 . B A . 24 CYS HB3 1 1 18 14845 2 2 24 CYS N N -1.520 6.613 -1.727 1.00 . B A . 24 CYS N 1 1 18 14846 2 2 24 CYS O O -2.093 7.567 1.470 1.00 . B A . 24 CYS O 1 1 18 14847 2 2 24 CYS SG S 0.986 9.385 0.047 1.00 . B A . 24 CYS SG 1 1 18 14848 2 2 25 NH2 HN1 H -2.624 9.257 -1.047 1.00 . B A . 25 NH2 HN1 1 1 18 14849 2 2 25 NH2 HN2 H -3.415 9.370 0.486 1.00 . B A . 25 NH2 HN2 1 1 18 14850 2 2 25 NH2 N N -2.755 8.970 -0.118 1.00 . B A . 25 NH2 N 1 1 19 14851 1 1 1 ASP C C 11.746 0.468 -6.605 1.00 . A B . 1 ASP C 1 1 19 14852 1 1 1 ASP CA C 11.564 1.965 -6.745 1.00 . A B . 1 ASP CA 1 1 19 14853 1 1 1 ASP CB C 12.068 2.458 -8.092 1.00 . A B . 1 ASP CB 1 1 19 14854 1 1 1 ASP CG C 11.644 3.868 -8.348 1.00 . A B . 1 ASP CG 1 1 19 14855 1 1 1 ASP H1 H 13.158 2.574 -5.486 1.00 . A B . 1 ASP H1 1 1 19 14856 1 1 1 ASP H2 H 11.606 2.644 -4.742 1.00 . A B . 1 ASP H2 1 1 19 14857 1 1 1 ASP H3 H 12.042 3.742 -5.902 1.00 . A B . 1 ASP H3 1 1 19 14858 1 1 1 ASP HA H 10.502 2.130 -6.690 1.00 . A B . 1 ASP HA 1 1 19 14859 1 1 1 ASP HB2 H 13.146 2.412 -8.111 1.00 . A B . 1 ASP HB2 1 1 19 14860 1 1 1 ASP HB3 H 11.669 1.829 -8.874 1.00 . A B . 1 ASP HB3 1 1 19 14861 1 1 1 ASP N N 12.143 2.738 -5.625 1.00 . A B . 1 ASP N 1 1 19 14862 1 1 1 ASP O O 10.818 -0.289 -6.878 1.00 . A B . 1 ASP O 1 1 19 14863 1 1 1 ASP OD1 O 11.982 4.738 -7.535 1.00 . A B . 1 ASP OD1 1 1 19 14864 1 1 1 ASP OD2 O 10.921 4.121 -9.329 1.00 . A B . 1 ASP OD2 1 1 19 14865 1 1 2 SER C C 12.236 -2.066 -4.979 1.00 . A B . 2 SER C 1 1 19 14866 1 1 2 SER CA C 13.177 -1.426 -5.984 1.00 . A B . 2 SER CA 1 1 19 14867 1 1 2 SER CB C 14.640 -1.678 -5.618 1.00 . A B . 2 SER CB 1 1 19 14868 1 1 2 SER H H 13.640 0.657 -5.993 1.00 . A B . 2 SER H 1 1 19 14869 1 1 2 SER HA H 12.962 -1.886 -6.925 1.00 . A B . 2 SER HA 1 1 19 14870 1 1 2 SER HB2 H 14.891 -1.097 -4.742 1.00 . A B . 2 SER HB2 1 1 19 14871 1 1 2 SER HB3 H 14.781 -2.727 -5.406 1.00 . A B . 2 SER HB3 1 1 19 14872 1 1 2 SER HG H 15.795 -2.132 -7.074 1.00 . A B . 2 SER HG 1 1 19 14873 1 1 2 SER N N 12.911 0.023 -6.160 1.00 . A B . 2 SER N 1 1 19 14874 1 1 2 SER O O 11.845 -3.220 -5.093 1.00 . A B . 2 SER O 1 1 19 14875 1 1 2 SER OG O 15.504 -1.296 -6.681 1.00 . A B . 2 SER OG 1 1 19 14876 1 1 3 TRP C C 9.494 -1.390 -3.354 1.00 . A B . 3 TRP C 1 1 19 14877 1 1 3 TRP CA C 10.963 -1.650 -2.988 1.00 . A B . 3 TRP CA 1 1 19 14878 1 1 3 TRP CB C 11.356 -0.891 -1.699 1.00 . A B . 3 TRP CB 1 1 19 14879 1 1 3 TRP CD1 C 12.703 1.295 -1.917 1.00 . A B . 3 TRP CD1 1 1 19 14880 1 1 3 TRP CD2 C 10.490 1.583 -2.022 1.00 . A B . 3 TRP CD2 1 1 19 14881 1 1 3 TRP CE2 C 11.108 2.831 -2.154 1.00 . A B . 3 TRP CE2 1 1 19 14882 1 1 3 TRP CE3 C 9.107 1.518 -2.057 1.00 . A B . 3 TRP CE3 1 1 19 14883 1 1 3 TRP CG C 11.526 0.604 -1.869 1.00 . A B . 3 TRP CG 1 1 19 14884 1 1 3 TRP CH2 C 9.024 3.897 -2.359 1.00 . A B . 3 TRP CH2 1 1 19 14885 1 1 3 TRP CZ2 C 10.384 4.004 -2.322 1.00 . A B . 3 TRP CZ2 1 1 19 14886 1 1 3 TRP CZ3 C 8.395 2.656 -2.227 1.00 . A B . 3 TRP CZ3 1 1 19 14887 1 1 3 TRP H H 12.230 -0.380 -4.172 1.00 . A B . 3 TRP H 1 1 19 14888 1 1 3 TRP HA H 11.090 -2.708 -2.812 1.00 . A B . 3 TRP HA 1 1 19 14889 1 1 3 TRP HB2 H 10.600 -1.045 -0.945 1.00 . A B . 3 TRP HB2 1 1 19 14890 1 1 3 TRP HB3 H 12.291 -1.290 -1.337 1.00 . A B . 3 TRP HB3 1 1 19 14891 1 1 3 TRP HD1 H 13.686 0.853 -1.833 1.00 . A B . 3 TRP HD1 1 1 19 14892 1 1 3 TRP HE1 H 13.126 3.338 -2.149 1.00 . A B . 3 TRP HE1 1 1 19 14893 1 1 3 TRP HE3 H 8.582 0.581 -1.951 1.00 . A B . 3 TRP HE3 1 1 19 14894 1 1 3 TRP HH2 H 8.412 4.778 -2.492 1.00 . A B . 3 TRP HH2 1 1 19 14895 1 1 3 TRP HZ2 H 10.866 4.965 -2.427 1.00 . A B . 3 TRP HZ2 1 1 19 14896 1 1 3 TRP HZ3 H 7.321 2.561 -2.275 1.00 . A B . 3 TRP HZ3 1 1 19 14897 1 1 3 TRP N N 11.854 -1.275 -4.068 1.00 . A B . 3 TRP N 1 1 19 14898 1 1 3 TRP NE1 N 12.452 2.629 -2.095 1.00 . A B . 3 TRP NE1 1 1 19 14899 1 1 3 TRP O O 8.583 -1.783 -2.643 1.00 . A B . 3 TRP O 1 1 19 14900 1 1 4 MET C C 7.184 -1.394 -5.554 1.00 . A B . 4 MET C 1 1 19 14901 1 1 4 MET CA C 7.957 -0.269 -4.873 1.00 . A B . 4 MET CA 1 1 19 14902 1 1 4 MET CB C 8.122 0.960 -5.783 1.00 . A B . 4 MET CB 1 1 19 14903 1 1 4 MET CE C 5.506 3.689 -7.551 1.00 . A B . 4 MET CE 1 1 19 14904 1 1 4 MET CG C 6.847 1.644 -6.218 1.00 . A B . 4 MET CG 1 1 19 14905 1 1 4 MET H H 10.040 -0.573 -5.073 1.00 . A B . 4 MET H 1 1 19 14906 1 1 4 MET HA H 7.424 0.026 -3.981 1.00 . A B . 4 MET HA 1 1 19 14907 1 1 4 MET HB2 H 8.717 1.687 -5.252 1.00 . A B . 4 MET HB2 1 1 19 14908 1 1 4 MET HB3 H 8.664 0.655 -6.666 1.00 . A B . 4 MET HB3 1 1 19 14909 1 1 4 MET HE1 H 4.990 2.921 -8.109 1.00 . A B . 4 MET HE1 1 1 19 14910 1 1 4 MET HE2 H 5.548 4.594 -8.139 1.00 . A B . 4 MET HE2 1 1 19 14911 1 1 4 MET HE3 H 4.978 3.882 -6.630 1.00 . A B . 4 MET HE3 1 1 19 14912 1 1 4 MET HG2 H 6.304 0.950 -6.835 1.00 . A B . 4 MET HG2 1 1 19 14913 1 1 4 MET HG3 H 6.263 1.905 -5.347 1.00 . A B . 4 MET HG3 1 1 19 14914 1 1 4 MET N N 9.283 -0.729 -4.470 1.00 . A B . 4 MET N 1 1 19 14915 1 1 4 MET O O 5.956 -1.385 -5.614 1.00 . A B . 4 MET O 1 1 19 14916 1 1 4 MET SD S 7.176 3.139 -7.181 1.00 . A B . 4 MET SD 1 1 19 14917 1 1 5 GLU C C 6.970 -4.645 -5.631 1.00 . A B . 5 GLU C 1 1 19 14918 1 1 5 GLU CA C 7.369 -3.569 -6.645 1.00 . A B . 5 GLU CA 1 1 19 14919 1 1 5 GLU CB C 8.406 -4.120 -7.623 1.00 . A B . 5 GLU CB 1 1 19 14920 1 1 5 GLU CD C 7.475 -3.219 -9.771 1.00 . A B . 5 GLU CD 1 1 19 14921 1 1 5 GLU CG C 8.647 -3.224 -8.824 1.00 . A B . 5 GLU CG 1 1 19 14922 1 1 5 GLU H H 8.887 -2.369 -5.829 1.00 . A B . 5 GLU H 1 1 19 14923 1 1 5 GLU HA H 6.498 -3.259 -7.203 1.00 . A B . 5 GLU HA 1 1 19 14924 1 1 5 GLU HB2 H 9.342 -4.246 -7.100 1.00 . A B . 5 GLU HB2 1 1 19 14925 1 1 5 GLU HB3 H 8.072 -5.083 -7.980 1.00 . A B . 5 GLU HB3 1 1 19 14926 1 1 5 GLU HG2 H 8.813 -2.215 -8.476 1.00 . A B . 5 GLU HG2 1 1 19 14927 1 1 5 GLU HG3 H 9.522 -3.569 -9.354 1.00 . A B . 5 GLU HG3 1 1 19 14928 1 1 5 GLU N N 7.919 -2.397 -5.978 1.00 . A B . 5 GLU N 1 1 19 14929 1 1 5 GLU O O 6.715 -5.797 -5.997 1.00 . A B . 5 GLU O 1 1 19 14930 1 1 5 GLU OE1 O 6.453 -2.561 -9.496 1.00 . A B . 5 GLU OE1 1 1 19 14931 1 1 5 GLU OE2 O 7.550 -3.884 -10.816 1.00 . A B . 5 GLU OE2 1 1 19 14932 1 1 6 GLU C C 5.070 -5.306 -3.266 1.00 . A B . 6 GLU C 1 1 19 14933 1 1 6 GLU CA C 6.565 -5.105 -3.305 1.00 . A B . 6 GLU CA 1 1 19 14934 1 1 6 GLU CB C 7.014 -4.455 -2.002 1.00 . A B . 6 GLU CB 1 1 19 14935 1 1 6 GLU CD C 7.635 -4.713 0.413 1.00 . A B . 6 GLU CD 1 1 19 14936 1 1 6 GLU CG C 7.151 -5.407 -0.820 1.00 . A B . 6 GLU CG 1 1 19 14937 1 1 6 GLU H H 7.001 -3.306 -4.157 1.00 . A B . 6 GLU H 1 1 19 14938 1 1 6 GLU HA H 7.080 -6.046 -3.424 1.00 . A B . 6 GLU HA 1 1 19 14939 1 1 6 GLU HB2 H 7.920 -3.889 -2.153 1.00 . A B . 6 GLU HB2 1 1 19 14940 1 1 6 GLU HB3 H 6.240 -3.745 -1.748 1.00 . A B . 6 GLU HB3 1 1 19 14941 1 1 6 GLU HG2 H 6.189 -5.852 -0.611 1.00 . A B . 6 GLU HG2 1 1 19 14942 1 1 6 GLU HG3 H 7.857 -6.182 -1.081 1.00 . A B . 6 GLU HG3 1 1 19 14943 1 1 6 GLU N N 6.877 -4.243 -4.381 1.00 . A B . 6 GLU N 1 1 19 14944 1 1 6 GLU O O 4.295 -4.471 -3.756 1.00 . A B . 6 GLU O 1 1 19 14945 1 1 6 GLU OE1 O 8.853 -4.453 0.515 1.00 . A B . 6 GLU OE1 1 1 19 14946 1 1 6 GLU OE2 O 6.816 -4.381 1.292 1.00 . A B . 6 GLU OE2 1 1 19 14947 1 1 7 VAL C C 3.134 -7.119 -1.031 1.00 . A B . 7 VAL C 1 1 19 14948 1 1 7 VAL CA C 3.323 -6.743 -2.491 1.00 . A B . 7 VAL CA 1 1 19 14949 1 1 7 VAL CB C 2.919 -7.925 -3.444 1.00 . A B . 7 VAL CB 1 1 19 14950 1 1 7 VAL CG1 C 3.782 -9.144 -3.213 1.00 . A B . 7 VAL CG1 1 1 19 14951 1 1 7 VAL CG2 C 1.436 -8.285 -3.315 1.00 . A B . 7 VAL CG2 1 1 19 14952 1 1 7 VAL H H 5.433 -6.883 -2.303 1.00 . A B . 7 VAL H 1 1 19 14953 1 1 7 VAL HA H 2.705 -5.883 -2.697 1.00 . A B . 7 VAL HA 1 1 19 14954 1 1 7 VAL HB H 3.098 -7.595 -4.457 1.00 . A B . 7 VAL HB 1 1 19 14955 1 1 7 VAL HG11 H 4.813 -8.895 -3.411 1.00 . A B . 7 VAL HG11 1 1 19 14956 1 1 7 VAL HG12 H 3.470 -9.934 -3.878 1.00 . A B . 7 VAL HG12 1 1 19 14957 1 1 7 VAL HG13 H 3.680 -9.470 -2.189 1.00 . A B . 7 VAL HG13 1 1 19 14958 1 1 7 VAL HG21 H 1.203 -9.103 -3.979 1.00 . A B . 7 VAL HG21 1 1 19 14959 1 1 7 VAL HG22 H 0.832 -7.427 -3.572 1.00 . A B . 7 VAL HG22 1 1 19 14960 1 1 7 VAL HG23 H 1.222 -8.576 -2.296 1.00 . A B . 7 VAL HG23 1 1 19 14961 1 1 7 VAL N N 4.697 -6.353 -2.673 1.00 . A B . 7 VAL N 1 1 19 14962 1 1 7 VAL O O 4.025 -7.709 -0.423 1.00 . A B . 7 VAL O 1 1 19 14963 1 1 8 ILE C C 0.291 -7.386 1.049 1.00 . A B . 8 ILE C 1 1 19 14964 1 1 8 ILE CA C 1.738 -6.981 0.930 1.00 . A B . 8 ILE CA 1 1 19 14965 1 1 8 ILE CB C 1.972 -5.739 1.844 1.00 . A B . 8 ILE CB 1 1 19 14966 1 1 8 ILE CD1 C 1.131 -3.371 2.336 1.00 . A B . 8 ILE CD1 1 1 19 14967 1 1 8 ILE CG1 C 1.006 -4.606 1.474 1.00 . A B . 8 ILE CG1 1 1 19 14968 1 1 8 ILE CG2 C 3.416 -5.268 1.760 1.00 . A B . 8 ILE CG2 1 1 19 14969 1 1 8 ILE H H 1.366 -6.228 -0.995 1.00 . A B . 8 ILE H 1 1 19 14970 1 1 8 ILE HA H 2.368 -7.790 1.263 1.00 . A B . 8 ILE HA 1 1 19 14971 1 1 8 ILE HB H 1.782 -6.040 2.862 1.00 . A B . 8 ILE HB 1 1 19 14972 1 1 8 ILE HD11 H 0.377 -2.651 2.057 1.00 . A B . 8 ILE HD11 1 1 19 14973 1 1 8 ILE HD12 H 2.115 -2.941 2.218 1.00 . A B . 8 ILE HD12 1 1 19 14974 1 1 8 ILE HD13 H 0.988 -3.657 3.366 1.00 . A B . 8 ILE HD13 1 1 19 14975 1 1 8 ILE HG12 H 1.180 -4.333 0.447 1.00 . A B . 8 ILE HG12 1 1 19 14976 1 1 8 ILE HG13 H -0.005 -4.976 1.562 1.00 . A B . 8 ILE HG13 1 1 19 14977 1 1 8 ILE HG21 H 4.072 -6.057 2.095 1.00 . A B . 8 ILE HG21 1 1 19 14978 1 1 8 ILE HG22 H 3.541 -4.395 2.383 1.00 . A B . 8 ILE HG22 1 1 19 14979 1 1 8 ILE HG23 H 3.650 -5.015 0.737 1.00 . A B . 8 ILE HG23 1 1 19 14980 1 1 8 ILE N N 2.036 -6.713 -0.461 1.00 . A B . 8 ILE N 1 1 19 14981 1 1 8 ILE O O -0.452 -7.309 0.074 1.00 . A B . 8 ILE O 1 1 19 14982 1 1 9 LYS C C -1.878 -7.598 3.847 1.00 . A B . 9 LYS C 1 1 19 14983 1 1 9 LYS CA C -1.471 -8.159 2.478 1.00 . A B . 9 LYS CA 1 1 19 14984 1 1 9 LYS CB C -1.697 -9.681 2.393 1.00 . A B . 9 LYS CB 1 1 19 14985 1 1 9 LYS CD C -3.329 -11.590 2.501 1.00 . A B . 9 LYS CD 1 1 19 14986 1 1 9 LYS CE C -4.752 -11.984 2.859 1.00 . A B . 9 LYS CE 1 1 19 14987 1 1 9 LYS CG C -3.139 -10.096 2.621 1.00 . A B . 9 LYS CG 1 1 19 14988 1 1 9 LYS H H 0.554 -7.871 2.941 1.00 . A B . 9 LYS H 1 1 19 14989 1 1 9 LYS HA H -2.057 -7.669 1.712 1.00 . A B . 9 LYS HA 1 1 19 14990 1 1 9 LYS HB2 H -1.396 -10.023 1.414 1.00 . A B . 9 LYS HB2 1 1 19 14991 1 1 9 LYS HB3 H -1.081 -10.166 3.137 1.00 . A B . 9 LYS HB3 1 1 19 14992 1 1 9 LYS HD2 H -3.126 -11.889 1.482 1.00 . A B . 9 LYS HD2 1 1 19 14993 1 1 9 LYS HD3 H -2.644 -12.091 3.169 1.00 . A B . 9 LYS HD3 1 1 19 14994 1 1 9 LYS HE2 H -5.434 -11.434 2.227 1.00 . A B . 9 LYS HE2 1 1 19 14995 1 1 9 LYS HE3 H -4.874 -13.042 2.677 1.00 . A B . 9 LYS HE3 1 1 19 14996 1 1 9 LYS HG2 H -3.437 -9.783 3.609 1.00 . A B . 9 LYS HG2 1 1 19 14997 1 1 9 LYS HG3 H -3.760 -9.600 1.890 1.00 . A B . 9 LYS HG3 1 1 19 14998 1 1 9 LYS HZ1 H -4.977 -10.681 4.502 1.00 . A B . 9 LYS HZ1 1 1 19 14999 1 1 9 LYS HZ2 H -4.460 -12.226 4.924 1.00 . A B . 9 LYS HZ2 1 1 19 15000 1 1 9 LYS HZ3 H -6.052 -11.968 4.492 1.00 . A B . 9 LYS HZ3 1 1 19 15001 1 1 9 LYS N N -0.101 -7.808 2.212 1.00 . A B . 9 LYS N 1 1 19 15002 1 1 9 LYS NZ N -5.075 -11.691 4.277 1.00 . A B . 9 LYS NZ 1 1 19 15003 1 1 9 LYS O O -1.787 -8.272 4.886 1.00 . A B . 9 LYS O 1 1 19 15004 1 1 10 LEU C C -4.022 -5.120 4.918 1.00 . A B . 10 LEU C 1 1 19 15005 1 1 10 LEU CA C -2.618 -5.610 5.049 1.00 . A B . 10 LEU CA 1 1 19 15006 1 1 10 LEU CB C -1.672 -4.421 5.328 1.00 . A B . 10 LEU CB 1 1 19 15007 1 1 10 LEU CD1 C 0.443 -5.826 5.607 1.00 . A B . 10 LEU CD1 1 1 19 15008 1 1 10 LEU CD2 C 0.455 -3.432 6.250 1.00 . A B . 10 LEU CD2 1 1 19 15009 1 1 10 LEU CG C -0.396 -4.687 6.165 1.00 . A B . 10 LEU CG 1 1 19 15010 1 1 10 LEU H H -2.277 -5.871 2.986 1.00 . A B . 10 LEU H 1 1 19 15011 1 1 10 LEU HA H -2.600 -6.273 5.900 1.00 . A B . 10 LEU HA 1 1 19 15012 1 1 10 LEU HB2 H -1.392 -3.993 4.381 1.00 . A B . 10 LEU HB2 1 1 19 15013 1 1 10 LEU HB3 H -2.256 -3.675 5.847 1.00 . A B . 10 LEU HB3 1 1 19 15014 1 1 10 LEU HD11 H 0.753 -5.579 4.603 1.00 . A B . 10 LEU HD11 1 1 19 15015 1 1 10 LEU HD12 H -0.145 -6.731 5.589 1.00 . A B . 10 LEU HD12 1 1 19 15016 1 1 10 LEU HD13 H 1.314 -5.971 6.228 1.00 . A B . 10 LEU HD13 1 1 19 15017 1 1 10 LEU HD21 H -0.158 -2.592 6.537 1.00 . A B . 10 LEU HD21 1 1 19 15018 1 1 10 LEU HD22 H 0.880 -3.222 5.281 1.00 . A B . 10 LEU HD22 1 1 19 15019 1 1 10 LEU HD23 H 1.246 -3.565 6.974 1.00 . A B . 10 LEU HD23 1 1 19 15020 1 1 10 LEU HG H -0.729 -4.930 7.165 1.00 . A B . 10 LEU HG 1 1 19 15021 1 1 10 LEU N N -2.232 -6.342 3.846 1.00 . A B . 10 LEU N 1 1 19 15022 1 1 10 LEU O O -4.643 -5.270 3.862 1.00 . A B . 10 LEU O 1 1 19 15023 1 1 11 CYS C C -5.989 -2.780 6.819 1.00 . A B . 11 CYS C 1 1 19 15024 1 1 11 CYS CA C -5.883 -4.034 5.959 1.00 . A B . 11 CYS CA 1 1 19 15025 1 1 11 CYS CB C -6.855 -5.076 6.519 1.00 . A B . 11 CYS CB 1 1 19 15026 1 1 11 CYS H H -3.938 -4.393 6.746 1.00 . A B . 11 CYS H 1 1 19 15027 1 1 11 CYS HA H -6.159 -3.807 4.941 1.00 . A B . 11 CYS HA 1 1 19 15028 1 1 11 CYS HB2 H -6.684 -5.141 7.579 1.00 . A B . 11 CYS HB2 1 1 19 15029 1 1 11 CYS HB3 H -7.842 -4.679 6.340 1.00 . A B . 11 CYS HB3 1 1 19 15030 1 1 11 CYS N N -4.519 -4.525 5.961 1.00 . A B . 11 CYS N 1 1 19 15031 1 1 11 CYS O O -5.069 -2.479 7.601 1.00 . A B . 11 CYS O 1 1 19 15032 1 1 11 CYS SG S -6.774 -6.765 5.797 1.00 . A B . 11 CYS SG 1 1 19 15033 1 1 12 GLY C C -6.322 0.097 7.719 1.00 . A B . 12 GLY C 1 1 19 15034 1 1 12 GLY CA C -7.434 -0.883 7.441 1.00 . A B . 12 GLY CA 1 1 19 15035 1 1 12 GLY H H -7.665 -2.268 5.867 1.00 . A B . 12 GLY H 1 1 19 15036 1 1 12 GLY HA2 H -8.247 -0.332 6.998 1.00 . A B . 12 GLY HA2 1 1 19 15037 1 1 12 GLY HA3 H -7.783 -1.264 8.388 1.00 . A B . 12 GLY HA3 1 1 19 15038 1 1 12 GLY N N -7.076 -2.032 6.617 1.00 . A B . 12 GLY N 1 1 19 15039 1 1 12 GLY O O -5.692 0.653 6.801 1.00 . A B . 12 GLY O 1 1 19 15040 1 1 13 ARG C C -3.669 0.800 9.100 1.00 . A B . 13 ARG C 1 1 19 15041 1 1 13 ARG CA C -5.091 1.203 9.490 1.00 . A B . 13 ARG CA 1 1 19 15042 1 1 13 ARG CB C -5.240 1.356 11.015 1.00 . A B . 13 ARG CB 1 1 19 15043 1 1 13 ARG CD C -4.526 2.492 13.154 1.00 . A B . 13 ARG CD 1 1 19 15044 1 1 13 ARG CG C -4.264 2.334 11.659 1.00 . A B . 13 ARG CG 1 1 19 15045 1 1 13 ARG CZ C -6.190 3.680 14.599 1.00 . A B . 13 ARG CZ 1 1 19 15046 1 1 13 ARG H H -6.575 -0.301 9.606 1.00 . A B . 13 ARG H 1 1 19 15047 1 1 13 ARG HA H -5.303 2.157 9.031 1.00 . A B . 13 ARG HA 1 1 19 15048 1 1 13 ARG HB2 H -6.243 1.691 11.235 1.00 . A B . 13 ARG HB2 1 1 19 15049 1 1 13 ARG HB3 H -5.092 0.386 11.463 1.00 . A B . 13 ARG HB3 1 1 19 15050 1 1 13 ARG HD2 H -4.501 1.516 13.615 1.00 . A B . 13 ARG HD2 1 1 19 15051 1 1 13 ARG HD3 H -3.748 3.109 13.579 1.00 . A B . 13 ARG HD3 1 1 19 15052 1 1 13 ARG HE H -6.463 3.130 12.676 1.00 . A B . 13 ARG HE 1 1 19 15053 1 1 13 ARG HG2 H -3.257 1.972 11.514 1.00 . A B . 13 ARG HG2 1 1 19 15054 1 1 13 ARG HG3 H -4.370 3.295 11.178 1.00 . A B . 13 ARG HG3 1 1 19 15055 1 1 13 ARG HH11 H -4.490 3.154 15.616 1.00 . A B . 13 ARG HH11 1 1 19 15056 1 1 13 ARG HH12 H -5.614 4.043 16.533 1.00 . A B . 13 ARG HH12 1 1 19 15057 1 1 13 ARG HH21 H -8.012 4.331 13.946 1.00 . A B . 13 ARG HH21 1 1 19 15058 1 1 13 ARG HH22 H -7.652 4.729 15.566 1.00 . A B . 13 ARG HH22 1 1 19 15059 1 1 13 ARG N N -6.067 0.264 8.985 1.00 . A B . 13 ARG N 1 1 19 15060 1 1 13 ARG NE N -5.834 3.114 13.432 1.00 . A B . 13 ARG NE 1 1 19 15061 1 1 13 ARG NH1 N -5.377 3.620 15.653 1.00 . A B . 13 ARG NH1 1 1 19 15062 1 1 13 ARG NH2 N -7.367 4.285 14.712 1.00 . A B . 13 ARG NH2 1 1 19 15063 1 1 13 ARG O O -2.827 1.659 8.886 1.00 . A B . 13 ARG O 1 1 19 15064 1 1 14 GLU C C -1.817 -0.573 7.107 1.00 . A B . 14 GLU C 1 1 19 15065 1 1 14 GLU CA C -2.093 -0.954 8.551 1.00 . A B . 14 GLU CA 1 1 19 15066 1 1 14 GLU CB C -1.918 -2.458 8.754 1.00 . A B . 14 GLU CB 1 1 19 15067 1 1 14 GLU CD C -2.975 -2.694 11.053 1.00 . A B . 14 GLU CD 1 1 19 15068 1 1 14 GLU CG C -1.766 -2.928 10.199 1.00 . A B . 14 GLU CG 1 1 19 15069 1 1 14 GLU H H -4.132 -1.175 9.017 1.00 . A B . 14 GLU H 1 1 19 15070 1 1 14 GLU HA H -1.371 -0.423 9.156 1.00 . A B . 14 GLU HA 1 1 19 15071 1 1 14 GLU HB2 H -2.784 -2.952 8.340 1.00 . A B . 14 GLU HB2 1 1 19 15072 1 1 14 GLU HB3 H -1.052 -2.777 8.200 1.00 . A B . 14 GLU HB3 1 1 19 15073 1 1 14 GLU HG2 H -1.555 -3.987 10.198 1.00 . A B . 14 GLU HG2 1 1 19 15074 1 1 14 GLU HG3 H -0.927 -2.405 10.636 1.00 . A B . 14 GLU HG3 1 1 19 15075 1 1 14 GLU N N -3.421 -0.499 8.931 1.00 . A B . 14 GLU N 1 1 19 15076 1 1 14 GLU O O -0.681 -0.294 6.737 1.00 . A B . 14 GLU O 1 1 19 15077 1 1 14 GLU OE1 O -4.043 -3.252 10.746 1.00 . A B . 14 GLU OE1 1 1 19 15078 1 1 14 GLU OE2 O -2.888 -1.941 12.034 1.00 . A B . 14 GLU OE2 1 1 19 15079 1 1 15 LEU C C -2.344 1.380 4.926 1.00 . A B . 15 LEU C 1 1 19 15080 1 1 15 LEU CA C -2.736 -0.070 4.921 1.00 . A B . 15 LEU CA 1 1 19 15081 1 1 15 LEU CB C -4.050 -0.203 4.166 1.00 . A B . 15 LEU CB 1 1 19 15082 1 1 15 LEU CD1 C -5.930 -1.566 3.329 1.00 . A B . 15 LEU CD1 1 1 19 15083 1 1 15 LEU CD2 C -3.621 -2.334 2.996 1.00 . A B . 15 LEU CD2 1 1 19 15084 1 1 15 LEU CG C -4.547 -1.602 3.920 1.00 . A B . 15 LEU CG 1 1 19 15085 1 1 15 LEU H H -3.730 -0.845 6.653 1.00 . A B . 15 LEU H 1 1 19 15086 1 1 15 LEU HA H -1.974 -0.651 4.423 1.00 . A B . 15 LEU HA 1 1 19 15087 1 1 15 LEU HB2 H -4.801 0.318 4.739 1.00 . A B . 15 LEU HB2 1 1 19 15088 1 1 15 LEU HB3 H -3.943 0.294 3.212 1.00 . A B . 15 LEU HB3 1 1 19 15089 1 1 15 LEU HD11 H -5.924 -0.983 2.421 1.00 . A B . 15 LEU HD11 1 1 19 15090 1 1 15 LEU HD12 H -6.611 -1.142 4.052 1.00 . A B . 15 LEU HD12 1 1 19 15091 1 1 15 LEU HD13 H -6.238 -2.579 3.113 1.00 . A B . 15 LEU HD13 1 1 19 15092 1 1 15 LEU HD21 H -2.637 -2.392 3.438 1.00 . A B . 15 LEU HD21 1 1 19 15093 1 1 15 LEU HD22 H -3.579 -1.839 2.038 1.00 . A B . 15 LEU HD22 1 1 19 15094 1 1 15 LEU HD23 H -4.018 -3.334 2.887 1.00 . A B . 15 LEU HD23 1 1 19 15095 1 1 15 LEU HG H -4.585 -2.140 4.855 1.00 . A B . 15 LEU HG 1 1 19 15096 1 1 15 LEU N N -2.867 -0.537 6.299 1.00 . A B . 15 LEU N 1 1 19 15097 1 1 15 LEU O O -1.473 1.794 4.176 1.00 . A B . 15 LEU O 1 1 19 15098 1 1 16 VAL C C -1.238 3.730 6.445 1.00 . A B . 16 VAL C 1 1 19 15099 1 1 16 VAL CA C -2.673 3.554 5.977 1.00 . A B . 16 VAL CA 1 1 19 15100 1 1 16 VAL CB C -3.645 4.246 6.973 1.00 . A B . 16 VAL CB 1 1 19 15101 1 1 16 VAL CG1 C -3.390 5.746 7.047 1.00 . A B . 16 VAL CG1 1 1 19 15102 1 1 16 VAL CG2 C -5.085 3.976 6.590 1.00 . A B . 16 VAL CG2 1 1 19 15103 1 1 16 VAL H H -3.643 1.716 6.401 1.00 . A B . 16 VAL H 1 1 19 15104 1 1 16 VAL HA H -2.764 4.018 5.004 1.00 . A B . 16 VAL HA 1 1 19 15105 1 1 16 VAL HB H -3.471 3.828 7.954 1.00 . A B . 16 VAL HB 1 1 19 15106 1 1 16 VAL HG11 H -2.380 5.922 7.384 1.00 . A B . 16 VAL HG11 1 1 19 15107 1 1 16 VAL HG12 H -4.085 6.195 7.740 1.00 . A B . 16 VAL HG12 1 1 19 15108 1 1 16 VAL HG13 H -3.525 6.182 6.068 1.00 . A B . 16 VAL HG13 1 1 19 15109 1 1 16 VAL HG21 H -5.263 4.323 5.584 1.00 . A B . 16 VAL HG21 1 1 19 15110 1 1 16 VAL HG22 H -5.740 4.497 7.273 1.00 . A B . 16 VAL HG22 1 1 19 15111 1 1 16 VAL HG23 H -5.279 2.915 6.645 1.00 . A B . 16 VAL HG23 1 1 19 15112 1 1 16 VAL N N -2.961 2.133 5.830 1.00 . A B . 16 VAL N 1 1 19 15113 1 1 16 VAL O O -0.529 4.579 5.944 1.00 . A B . 16 VAL O 1 1 19 15114 1 1 17 ARG C C 1.534 2.756 6.732 1.00 . A B . 17 ARG C 1 1 19 15115 1 1 17 ARG CA C 0.560 2.877 7.881 1.00 . A B . 17 ARG CA 1 1 19 15116 1 1 17 ARG CB C 0.795 1.718 8.845 1.00 . A B . 17 ARG CB 1 1 19 15117 1 1 17 ARG CD C 0.279 3.015 10.930 1.00 . A B . 17 ARG CD 1 1 19 15118 1 1 17 ARG CG C 0.010 1.762 10.127 1.00 . A B . 17 ARG CG 1 1 19 15119 1 1 17 ARG CZ C -0.452 3.935 13.117 1.00 . A B . 17 ARG CZ 1 1 19 15120 1 1 17 ARG H H -1.478 2.265 7.769 1.00 . A B . 17 ARG H 1 1 19 15121 1 1 17 ARG HA H 0.745 3.806 8.394 1.00 . A B . 17 ARG HA 1 1 19 15122 1 1 17 ARG HB2 H 0.511 0.811 8.333 1.00 . A B . 17 ARG HB2 1 1 19 15123 1 1 17 ARG HB3 H 1.842 1.644 9.090 1.00 . A B . 17 ARG HB3 1 1 19 15124 1 1 17 ARG HD2 H 1.343 3.121 11.070 1.00 . A B . 17 ARG HD2 1 1 19 15125 1 1 17 ARG HD3 H -0.111 3.870 10.397 1.00 . A B . 17 ARG HD3 1 1 19 15126 1 1 17 ARG HE H -0.691 2.040 12.461 1.00 . A B . 17 ARG HE 1 1 19 15127 1 1 17 ARG HG2 H -1.044 1.720 9.896 1.00 . A B . 17 ARG HG2 1 1 19 15128 1 1 17 ARG HG3 H 0.284 0.901 10.719 1.00 . A B . 17 ARG HG3 1 1 19 15129 1 1 17 ARG HH11 H 0.218 5.390 11.841 1.00 . A B . 17 ARG HH11 1 1 19 15130 1 1 17 ARG HH12 H -0.144 5.963 13.392 1.00 . A B . 17 ARG HH12 1 1 19 15131 1 1 17 ARG HH21 H -1.220 2.765 14.613 1.00 . A B . 17 ARG HH21 1 1 19 15132 1 1 17 ARG HH22 H -1.006 4.396 15.039 1.00 . A B . 17 ARG HH22 1 1 19 15133 1 1 17 ARG N N -0.818 2.885 7.385 1.00 . A B . 17 ARG N 1 1 19 15134 1 1 17 ARG NE N -0.362 2.942 12.239 1.00 . A B . 17 ARG NE 1 1 19 15135 1 1 17 ARG NH1 N -0.107 5.178 12.766 1.00 . A B . 17 ARG NH1 1 1 19 15136 1 1 17 ARG NH2 N -0.927 3.687 14.335 1.00 . A B . 17 ARG NH2 1 1 19 15137 1 1 17 ARG O O 2.400 3.599 6.555 1.00 . A B . 17 ARG O 1 1 19 15138 1 1 18 ALA C C 2.155 2.595 3.761 1.00 . A B . 18 ALA C 1 1 19 15139 1 1 18 ALA CA C 2.181 1.451 4.778 1.00 . A B . 18 ALA CA 1 1 19 15140 1 1 18 ALA CB C 1.773 0.138 4.129 1.00 . A B . 18 ALA CB 1 1 19 15141 1 1 18 ALA H H 0.576 1.147 6.152 1.00 . A B . 18 ALA H 1 1 19 15142 1 1 18 ALA HA H 3.191 1.348 5.142 1.00 . A B . 18 ALA HA 1 1 19 15143 1 1 18 ALA HB1 H 0.770 0.228 3.738 1.00 . A B . 18 ALA HB1 1 1 19 15144 1 1 18 ALA HB2 H 1.803 -0.653 4.862 1.00 . A B . 18 ALA HB2 1 1 19 15145 1 1 18 ALA HB3 H 2.453 -0.093 3.322 1.00 . A B . 18 ALA HB3 1 1 19 15146 1 1 18 ALA N N 1.333 1.734 5.929 1.00 . A B . 18 ALA N 1 1 19 15147 1 1 18 ALA O O 3.176 2.922 3.153 1.00 . A B . 18 ALA O 1 1 19 15148 1 1 19 GLN C C 1.517 5.580 3.213 1.00 . A B . 19 GLN C 1 1 19 15149 1 1 19 GLN CA C 0.778 4.327 2.710 1.00 . A B . 19 GLN CA 1 1 19 15150 1 1 19 GLN CB C -0.716 4.608 2.642 1.00 . A B . 19 GLN CB 1 1 19 15151 1 1 19 GLN CD C -2.990 3.809 1.842 1.00 . A B . 19 GLN CD 1 1 19 15152 1 1 19 GLN CG C -1.481 3.711 1.691 1.00 . A B . 19 GLN CG 1 1 19 15153 1 1 19 GLN H H 0.220 2.834 4.091 1.00 . A B . 19 GLN H 1 1 19 15154 1 1 19 GLN HA H 1.128 4.050 1.722 1.00 . A B . 19 GLN HA 1 1 19 15155 1 1 19 GLN HB2 H -1.096 4.422 3.637 1.00 . A B . 19 GLN HB2 1 1 19 15156 1 1 19 GLN HB3 H -0.888 5.647 2.418 1.00 . A B . 19 GLN HB3 1 1 19 15157 1 1 19 GLN HE21 H -3.176 1.942 1.240 1.00 . A B . 19 GLN HE21 1 1 19 15158 1 1 19 GLN HE22 H -4.648 2.766 1.613 1.00 . A B . 19 GLN HE22 1 1 19 15159 1 1 19 GLN HG2 H -1.227 3.995 0.680 1.00 . A B . 19 GLN HG2 1 1 19 15160 1 1 19 GLN HG3 H -1.180 2.690 1.867 1.00 . A B . 19 GLN HG3 1 1 19 15161 1 1 19 GLN N N 0.994 3.185 3.595 1.00 . A B . 19 GLN N 1 1 19 15162 1 1 19 GLN NE2 N -3.669 2.734 1.536 1.00 . A B . 19 GLN NE2 1 1 19 15163 1 1 19 GLN O O 2.254 6.221 2.480 1.00 . A B . 19 GLN O 1 1 19 15164 1 1 19 GLN OE1 O -3.537 4.838 2.226 1.00 . A B . 19 GLN OE1 1 1 19 15165 1 1 20 ILE C C 3.490 6.852 5.079 1.00 . A B . 20 ILE C 1 1 19 15166 1 1 20 ILE CA C 1.965 7.079 5.031 1.00 . A B . 20 ILE CA 1 1 19 15167 1 1 20 ILE CB C 1.409 7.407 6.457 1.00 . A B . 20 ILE CB 1 1 19 15168 1 1 20 ILE CD1 C -0.629 8.640 5.467 1.00 . A B . 20 ILE CD1 1 1 19 15169 1 1 20 ILE CG1 C -0.124 7.576 6.423 1.00 . A B . 20 ILE CG1 1 1 19 15170 1 1 20 ILE CG2 C 2.058 8.663 7.032 1.00 . A B . 20 ILE CG2 1 1 19 15171 1 1 20 ILE H H 0.655 5.396 4.964 1.00 . A B . 20 ILE H 1 1 19 15172 1 1 20 ILE HA H 1.776 7.918 4.377 1.00 . A B . 20 ILE HA 1 1 19 15173 1 1 20 ILE HB H 1.648 6.579 7.106 1.00 . A B . 20 ILE HB 1 1 19 15174 1 1 20 ILE HD11 H -1.703 8.722 5.551 1.00 . A B . 20 ILE HD11 1 1 19 15175 1 1 20 ILE HD12 H -0.359 8.376 4.454 1.00 . A B . 20 ILE HD12 1 1 19 15176 1 1 20 ILE HD13 H -0.172 9.583 5.724 1.00 . A B . 20 ILE HD13 1 1 19 15177 1 1 20 ILE HG12 H -0.570 6.640 6.122 1.00 . A B . 20 ILE HG12 1 1 19 15178 1 1 20 ILE HG13 H -0.471 7.825 7.415 1.00 . A B . 20 ILE HG13 1 1 19 15179 1 1 20 ILE HG21 H 3.126 8.515 7.103 1.00 . A B . 20 ILE HG21 1 1 19 15180 1 1 20 ILE HG22 H 1.656 8.860 8.015 1.00 . A B . 20 ILE HG22 1 1 19 15181 1 1 20 ILE HG23 H 1.853 9.503 6.384 1.00 . A B . 20 ILE HG23 1 1 19 15182 1 1 20 ILE N N 1.306 5.922 4.445 1.00 . A B . 20 ILE N 1 1 19 15183 1 1 20 ILE O O 4.284 7.768 4.797 1.00 . A B . 20 ILE O 1 1 19 15184 1 1 21 ALA C C 5.951 5.235 4.073 1.00 . A B . 21 ALA C 1 1 19 15185 1 1 21 ALA CA C 5.292 5.255 5.443 1.00 . A B . 21 ALA CA 1 1 19 15186 1 1 21 ALA CB C 5.473 3.911 6.129 1.00 . A B . 21 ALA CB 1 1 19 15187 1 1 21 ALA H H 3.208 4.937 5.571 1.00 . A B . 21 ALA H 1 1 19 15188 1 1 21 ALA HA H 5.788 6.003 6.044 1.00 . A B . 21 ALA HA 1 1 19 15189 1 1 21 ALA HB1 H 5.010 3.936 7.104 1.00 . A B . 21 ALA HB1 1 1 19 15190 1 1 21 ALA HB2 H 6.527 3.702 6.233 1.00 . A B . 21 ALA HB2 1 1 19 15191 1 1 21 ALA HB3 H 5.010 3.140 5.530 1.00 . A B . 21 ALA HB3 1 1 19 15192 1 1 21 ALA N N 3.887 5.623 5.370 1.00 . A B . 21 ALA N 1 1 19 15193 1 1 21 ALA O O 7.120 5.574 3.953 1.00 . A B . 21 ALA O 1 1 19 15194 1 1 22 ILE C C 6.154 6.200 1.226 1.00 . A B . 22 ILE C 1 1 19 15195 1 1 22 ILE CA C 5.773 4.797 1.693 1.00 . A B . 22 ILE CA 1 1 19 15196 1 1 22 ILE CB C 4.828 4.089 0.632 1.00 . A B . 22 ILE CB 1 1 19 15197 1 1 22 ILE CD1 C 4.800 3.147 -1.711 1.00 . A B . 22 ILE CD1 1 1 19 15198 1 1 22 ILE CG1 C 5.625 3.750 -0.614 1.00 . A B . 22 ILE CG1 1 1 19 15199 1 1 22 ILE CG2 C 3.620 4.941 0.242 1.00 . A B . 22 ILE CG2 1 1 19 15200 1 1 22 ILE H H 4.262 4.615 3.174 1.00 . A B . 22 ILE H 1 1 19 15201 1 1 22 ILE HA H 6.693 4.230 1.770 1.00 . A B . 22 ILE HA 1 1 19 15202 1 1 22 ILE HB H 4.436 3.175 1.049 1.00 . A B . 22 ILE HB 1 1 19 15203 1 1 22 ILE HD11 H 4.023 3.851 -1.967 1.00 . A B . 22 ILE HD11 1 1 19 15204 1 1 22 ILE HD12 H 4.336 2.238 -1.358 1.00 . A B . 22 ILE HD12 1 1 19 15205 1 1 22 ILE HD13 H 5.403 2.943 -2.583 1.00 . A B . 22 ILE HD13 1 1 19 15206 1 1 22 ILE HG12 H 6.080 4.651 -0.999 1.00 . A B . 22 ILE HG12 1 1 19 15207 1 1 22 ILE HG13 H 6.401 3.046 -0.351 1.00 . A B . 22 ILE HG13 1 1 19 15208 1 1 22 ILE HG21 H 3.960 5.867 -0.196 1.00 . A B . 22 ILE HG21 1 1 19 15209 1 1 22 ILE HG22 H 3.034 5.156 1.124 1.00 . A B . 22 ILE HG22 1 1 19 15210 1 1 22 ILE HG23 H 3.013 4.404 -0.472 1.00 . A B . 22 ILE HG23 1 1 19 15211 1 1 22 ILE N N 5.202 4.864 3.032 1.00 . A B . 22 ILE N 1 1 19 15212 1 1 22 ILE O O 7.208 6.408 0.640 1.00 . A B . 22 ILE O 1 1 19 15213 1 1 23 CYS C C 6.534 9.220 2.117 1.00 . A B . 23 CYS C 1 1 19 15214 1 1 23 CYS CA C 5.549 8.542 1.183 1.00 . A B . 23 CYS CA 1 1 19 15215 1 1 23 CYS CB C 4.229 9.278 1.209 1.00 . A B . 23 CYS CB 1 1 19 15216 1 1 23 CYS H H 4.504 6.926 2.058 1.00 . A B . 23 CYS H 1 1 19 15217 1 1 23 CYS HA H 5.930 8.564 0.173 1.00 . A B . 23 CYS HA 1 1 19 15218 1 1 23 CYS HB2 H 3.759 9.055 2.157 1.00 . A B . 23 CYS HB2 1 1 19 15219 1 1 23 CYS HB3 H 4.445 10.330 1.167 1.00 . A B . 23 CYS HB3 1 1 19 15220 1 1 23 CYS N N 5.319 7.164 1.562 1.00 . A B . 23 CYS N 1 1 19 15221 1 1 23 CYS O O 7.224 10.164 1.744 1.00 . A B . 23 CYS O 1 1 19 15222 1 1 23 CYS SG S 3.074 8.786 -0.125 1.00 . A B . 23 CYS SG 1 1 19 15223 1 1 24 GLY C C 8.959 8.648 4.082 1.00 . A B . 24 GLY C 1 1 19 15224 1 1 24 GLY CA C 7.565 9.212 4.270 1.00 . A B . 24 GLY CA 1 1 19 15225 1 1 24 GLY H H 5.974 8.003 3.513 1.00 . A B . 24 GLY H 1 1 19 15226 1 1 24 GLY HA2 H 7.609 10.287 4.185 1.00 . A B . 24 GLY HA2 1 1 19 15227 1 1 24 GLY HA3 H 7.216 8.953 5.258 1.00 . A B . 24 GLY HA3 1 1 19 15228 1 1 24 GLY N N 6.624 8.704 3.298 1.00 . A B . 24 GLY N 1 1 19 15229 1 1 24 GLY O O 9.935 9.198 4.597 1.00 . A B . 24 GLY O 1 1 19 15230 1 1 25 MET C C 10.391 6.517 1.657 1.00 . A B . 25 MET C 1 1 19 15231 1 1 25 MET CA C 10.312 6.925 3.109 1.00 . A B . 25 MET CA 1 1 19 15232 1 1 25 MET CB C 10.590 5.740 4.061 1.00 . A B . 25 MET CB 1 1 19 15233 1 1 25 MET CE C 12.413 4.591 6.534 1.00 . A B . 25 MET CE 1 1 19 15234 1 1 25 MET CG C 11.939 5.050 3.830 1.00 . A B . 25 MET CG 1 1 19 15235 1 1 25 MET H H 8.248 7.147 2.987 1.00 . A B . 25 MET H 1 1 19 15236 1 1 25 MET HA H 11.065 7.683 3.268 1.00 . A B . 25 MET HA 1 1 19 15237 1 1 25 MET HB2 H 10.563 6.105 5.078 1.00 . A B . 25 MET HB2 1 1 19 15238 1 1 25 MET HB3 H 9.807 5.007 3.934 1.00 . A B . 25 MET HB3 1 1 19 15239 1 1 25 MET HE1 H 11.501 5.134 6.729 1.00 . A B . 25 MET HE1 1 1 19 15240 1 1 25 MET HE2 H 13.237 5.286 6.469 1.00 . A B . 25 MET HE2 1 1 19 15241 1 1 25 MET HE3 H 12.594 3.893 7.338 1.00 . A B . 25 MET HE3 1 1 19 15242 1 1 25 MET HG2 H 11.950 4.651 2.828 1.00 . A B . 25 MET HG2 1 1 19 15243 1 1 25 MET HG3 H 12.724 5.786 3.926 1.00 . A B . 25 MET HG3 1 1 19 15244 1 1 25 MET N N 9.054 7.554 3.367 1.00 . A B . 25 MET N 1 1 19 15245 1 1 25 MET O O 10.172 5.373 1.283 1.00 . A B . 25 MET O 1 1 19 15246 1 1 25 MET SD S 12.262 3.695 4.986 1.00 . A B . 25 MET SD 1 1 19 15247 1 1 26 SER C C 12.269 7.658 -0.838 1.00 . A B . 26 SER C 1 1 19 15248 1 1 26 SER CA C 10.799 7.329 -0.556 1.00 . A B . 26 SER CA 1 1 19 15249 1 1 26 SER CB C 9.882 8.284 -1.314 1.00 . A B . 26 SER CB 1 1 19 15250 1 1 26 SER H H 10.576 8.398 1.230 1.00 . A B . 26 SER H 1 1 19 15251 1 1 26 SER HA H 10.579 6.308 -0.829 1.00 . A B . 26 SER HA 1 1 19 15252 1 1 26 SER HB2 H 10.118 9.301 -1.037 1.00 . A B . 26 SER HB2 1 1 19 15253 1 1 26 SER HB3 H 10.043 8.150 -2.372 1.00 . A B . 26 SER HB3 1 1 19 15254 1 1 26 SER HG H 8.437 7.428 -0.265 1.00 . A B . 26 SER HG 1 1 19 15255 1 1 26 SER N N 10.583 7.491 0.852 1.00 . A B . 26 SER N 1 1 19 15256 1 1 26 SER O O 12.606 8.349 -1.810 1.00 . A B . 26 SER O 1 1 19 15257 1 1 26 SER OG O 8.512 8.034 -1.018 1.00 . A B . 26 SER OG 1 1 19 15258 1 1 27 THR C C 15.188 6.977 -1.336 1.00 . A B . 27 THR C 1 1 19 15259 1 1 27 THR CA C 14.557 7.377 -0.017 1.00 . A B . 27 THR CA 1 1 19 15260 1 1 27 THR CB C 15.236 6.667 1.166 1.00 . A B . 27 THR CB 1 1 19 15261 1 1 27 THR CG2 C 16.677 7.140 1.344 1.00 . A B . 27 THR CG2 1 1 19 15262 1 1 27 THR H H 12.801 6.479 0.677 1.00 . A B . 27 THR H 1 1 19 15263 1 1 27 THR HA H 14.693 8.433 0.090 1.00 . A B . 27 THR HA 1 1 19 15264 1 1 27 THR HB H 15.219 5.601 0.993 1.00 . A B . 27 THR HB 1 1 19 15265 1 1 27 THR HG1 H 14.266 7.906 2.361 1.00 . A B . 27 THR HG1 1 1 19 15266 1 1 27 THR HG21 H 17.128 6.621 2.176 1.00 . A B . 27 THR HG21 1 1 19 15267 1 1 27 THR HG22 H 16.686 8.203 1.533 1.00 . A B . 27 THR HG22 1 1 19 15268 1 1 27 THR HG23 H 17.236 6.932 0.444 1.00 . A B . 27 THR HG23 1 1 19 15269 1 1 27 THR N N 13.134 7.111 0.003 1.00 . A B . 27 THR N 1 1 19 15270 1 1 27 THR O O 16.020 7.688 -1.897 1.00 . A B . 27 THR O 1 1 19 15271 1 1 27 THR OG1 O 14.489 6.971 2.361 1.00 . A B . 27 THR OG1 1 1 19 15272 1 1 28 TRP C C 14.191 5.633 -4.159 1.00 . A B . 28 TRP C 1 1 19 15273 1 1 28 TRP CA C 15.233 5.386 -3.087 1.00 . A B . 28 TRP CA 1 1 19 15274 1 1 28 TRP CB C 15.565 3.890 -3.006 1.00 . A B . 28 TRP CB 1 1 19 15275 1 1 28 TRP CD1 C 16.058 2.824 -0.745 1.00 . A B . 28 TRP CD1 1 1 19 15276 1 1 28 TRP CD2 C 17.815 3.864 -1.652 1.00 . A B . 28 TRP CD2 1 1 19 15277 1 1 28 TRP CE2 C 18.203 3.324 -0.411 1.00 . A B . 28 TRP CE2 1 1 19 15278 1 1 28 TRP CE3 C 18.758 4.567 -2.408 1.00 . A B . 28 TRP CE3 1 1 19 15279 1 1 28 TRP CG C 16.435 3.527 -1.844 1.00 . A B . 28 TRP CG 1 1 19 15280 1 1 28 TRP CH2 C 20.395 4.156 -0.668 1.00 . A B . 28 TRP CH2 1 1 19 15281 1 1 28 TRP CZ2 C 19.493 3.464 0.093 1.00 . A B . 28 TRP CZ2 1 1 19 15282 1 1 28 TRP CZ3 C 20.038 4.705 -1.907 1.00 . A B . 28 TRP CZ3 1 1 19 15283 1 1 28 TRP H H 14.049 5.496 -1.271 1.00 . A B . 28 TRP H 1 1 19 15284 1 1 28 TRP HA H 16.126 5.939 -3.336 1.00 . A B . 28 TRP HA 1 1 19 15285 1 1 28 TRP HB2 H 14.654 3.316 -2.935 1.00 . A B . 28 TRP HB2 1 1 19 15286 1 1 28 TRP HB3 H 16.084 3.602 -3.908 1.00 . A B . 28 TRP HB3 1 1 19 15287 1 1 28 TRP HD1 H 15.061 2.431 -0.605 1.00 . A B . 28 TRP HD1 1 1 19 15288 1 1 28 TRP HE1 H 17.071 2.222 0.982 1.00 . A B . 28 TRP HE1 1 1 19 15289 1 1 28 TRP HE3 H 18.500 4.996 -3.365 1.00 . A B . 28 TRP HE3 1 1 19 15290 1 1 28 TRP HH2 H 21.407 4.291 -0.317 1.00 . A B . 28 TRP HH2 1 1 19 15291 1 1 28 TRP HZ2 H 19.784 3.046 1.045 1.00 . A B . 28 TRP HZ2 1 1 19 15292 1 1 28 TRP HZ3 H 20.782 5.246 -2.475 1.00 . A B . 28 TRP HZ3 1 1 19 15293 1 1 28 TRP N N 14.745 5.898 -1.829 1.00 . A B . 28 TRP N 1 1 19 15294 1 1 28 TRP NE1 N 17.109 2.695 0.119 1.00 . A B . 28 TRP NE1 1 1 19 15295 1 1 28 TRP O O 13.190 4.915 -4.237 1.00 . A B . 28 TRP O 1 1 19 15296 1 1 29 SER C C 14.283 7.217 -7.297 1.00 . A B . 29 SER C 1 1 19 15297 1 1 29 SER CA C 13.505 7.043 -5.993 1.00 . A B . 29 SER CA 1 1 19 15298 1 1 29 SER CB C 12.760 8.332 -5.623 1.00 . A B . 29 SER CB 1 1 19 15299 1 1 29 SER H H 15.228 7.180 -4.812 1.00 . A B . 29 SER H 1 1 19 15300 1 1 29 SER HA H 12.788 6.244 -6.121 1.00 . A B . 29 SER HA 1 1 19 15301 1 1 29 SER HB2 H 13.479 9.116 -5.431 1.00 . A B . 29 SER HB2 1 1 19 15302 1 1 29 SER HB3 H 12.125 8.621 -6.446 1.00 . A B . 29 SER HB3 1 1 19 15303 1 1 29 SER HG H 12.536 8.134 -3.684 1.00 . A B . 29 SER HG 1 1 19 15304 1 1 29 SER N N 14.405 6.658 -4.932 1.00 . A B . 29 SER N 1 1 19 15305 1 1 29 SER O O 14.945 8.229 -7.506 1.00 . A B . 29 SER O 1 1 19 15306 1 1 29 SER OG O 11.950 8.154 -4.452 1.00 . A B . 29 SER OG 1 1 19 15307 1 1 30 NH2 HN1 H 13.710 5.438 -7.880 1.00 . A B . 30 NH2 HN1 1 1 19 15308 1 1 30 NH2 HN2 H 14.813 6.253 -8.937 1.00 . A B . 30 NH2 HN2 1 1 19 15309 1 1 30 NH2 N N 14.271 6.208 -8.122 1.00 . A B . 30 NH2 N 1 1 19 15310 2 2 1 PCA C C -12.750 1.869 -6.874 1.00 . B A . 1 PCA C 1 1 19 15311 2 2 1 PCA CA C -13.967 2.751 -6.732 1.00 . B A . 1 PCA CA 1 1 19 15312 2 2 1 PCA CB C -15.229 2.006 -7.112 1.00 . B A . 1 PCA CB 1 1 19 15313 2 2 1 PCA CD C -14.769 3.827 -8.602 1.00 . B A . 1 PCA CD 1 1 19 15314 2 2 1 PCA CG C -15.774 2.711 -8.343 1.00 . B A . 1 PCA CG 1 1 19 15315 2 2 1 PCA HA H -13.984 3.084 -5.710 1.00 . B A . 1 PCA HA 1 1 19 15316 2 2 1 PCA HB2 H -14.992 0.968 -7.345 1.00 . B A . 1 PCA HB2 1 1 19 15317 2 2 1 PCA HB3 H -15.952 2.051 -6.298 1.00 . B A . 1 PCA HB3 1 1 19 15318 2 2 1 PCA HG2 H -15.822 2.018 -9.184 1.00 . B A . 1 PCA HG2 1 1 19 15319 2 2 1 PCA HG3 H -16.750 3.151 -8.144 1.00 . B A . 1 PCA HG3 1 1 19 15320 2 2 1 PCA N N -13.868 3.917 -7.622 1.00 . B A . 1 PCA N 1 1 19 15321 2 2 1 PCA O O -12.704 0.736 -6.393 1.00 . B A . 1 PCA O 1 1 19 15322 2 2 1 PCA OE O -14.790 4.547 -9.601 1.00 . B A . 1 PCA OE 1 1 19 15323 2 2 2 LEU C C -9.620 1.836 -6.520 1.00 . B A . 2 LEU C 1 1 19 15324 2 2 2 LEU CA C -10.493 1.775 -7.751 1.00 . B A . 2 LEU CA 1 1 19 15325 2 2 2 LEU CB C -9.729 2.399 -8.951 1.00 . B A . 2 LEU CB 1 1 19 15326 2 2 2 LEU CD1 C -11.548 3.287 -10.492 1.00 . B A . 2 LEU CD1 1 1 19 15327 2 2 2 LEU CD2 C -9.330 2.604 -11.425 1.00 . B A . 2 LEU CD2 1 1 19 15328 2 2 2 LEU CG C -10.373 2.331 -10.352 1.00 . B A . 2 LEU CG 1 1 19 15329 2 2 2 LEU H H -11.955 3.380 -7.704 1.00 . B A . 2 LEU H 1 1 19 15330 2 2 2 LEU HA H -10.706 0.740 -7.964 1.00 . B A . 2 LEU HA 1 1 19 15331 2 2 2 LEU HB2 H -9.556 3.441 -8.726 1.00 . B A . 2 LEU HB2 1 1 19 15332 2 2 2 LEU HB3 H -8.766 1.913 -9.006 1.00 . B A . 2 LEU HB3 1 1 19 15333 2 2 2 LEU HD11 H -11.965 3.202 -11.485 1.00 . B A . 2 LEU HD11 1 1 19 15334 2 2 2 LEU HD12 H -11.211 4.299 -10.328 1.00 . B A . 2 LEU HD12 1 1 19 15335 2 2 2 LEU HD13 H -12.304 3.037 -9.763 1.00 . B A . 2 LEU HD13 1 1 19 15336 2 2 2 LEU HD21 H -9.796 2.559 -12.398 1.00 . B A . 2 LEU HD21 1 1 19 15337 2 2 2 LEU HD22 H -8.548 1.860 -11.366 1.00 . B A . 2 LEU HD22 1 1 19 15338 2 2 2 LEU HD23 H -8.906 3.584 -11.274 1.00 . B A . 2 LEU HD23 1 1 19 15339 2 2 2 LEU HG H -10.750 1.330 -10.507 1.00 . B A . 2 LEU HG 1 1 19 15340 2 2 2 LEU N N -11.763 2.443 -7.479 1.00 . B A . 2 LEU N 1 1 19 15341 2 2 2 LEU O O -8.967 0.861 -6.137 1.00 . B A . 2 LEU O 1 1 19 15342 2 2 3 TYR C C -9.437 2.455 -3.526 1.00 . B A . 3 TYR C 1 1 19 15343 2 2 3 TYR CA C -8.831 3.178 -4.698 1.00 . B A . 3 TYR CA 1 1 19 15344 2 2 3 TYR CB C -8.661 4.644 -4.428 1.00 . B A . 3 TYR CB 1 1 19 15345 2 2 3 TYR CD1 C -6.429 4.953 -5.563 1.00 . B A . 3 TYR CD1 1 1 19 15346 2 2 3 TYR CD2 C -8.244 6.309 -6.279 1.00 . B A . 3 TYR CD2 1 1 19 15347 2 2 3 TYR CE1 C -5.610 5.552 -6.491 1.00 . B A . 3 TYR CE1 1 1 19 15348 2 2 3 TYR CE2 C -7.429 6.916 -7.211 1.00 . B A . 3 TYR CE2 1 1 19 15349 2 2 3 TYR CG C -7.762 5.320 -5.440 1.00 . B A . 3 TYR CG 1 1 19 15350 2 2 3 TYR CZ C -6.114 6.532 -7.313 1.00 . B A . 3 TYR CZ 1 1 19 15351 2 2 3 TYR H H -10.165 3.707 -6.257 1.00 . B A . 3 TYR H 1 1 19 15352 2 2 3 TYR HA H -7.859 2.745 -4.888 1.00 . B A . 3 TYR HA 1 1 19 15353 2 2 3 TYR HB2 H -9.640 5.094 -4.502 1.00 . B A . 3 TYR HB2 1 1 19 15354 2 2 3 TYR HB3 H -8.289 4.776 -3.427 1.00 . B A . 3 TYR HB3 1 1 19 15355 2 2 3 TYR HD1 H -6.034 4.183 -4.916 1.00 . B A . 3 TYR HD1 1 1 19 15356 2 2 3 TYR HD2 H -9.276 6.610 -6.194 1.00 . B A . 3 TYR HD2 1 1 19 15357 2 2 3 TYR HE1 H -4.576 5.255 -6.571 1.00 . B A . 3 TYR HE1 1 1 19 15358 2 2 3 TYR HE2 H -7.826 7.685 -7.855 1.00 . B A . 3 TYR HE2 1 1 19 15359 2 2 3 TYR HH H -5.378 8.086 -8.140 1.00 . B A . 3 TYR HH 1 1 19 15360 2 2 3 TYR N N -9.619 2.976 -5.890 1.00 . B A . 3 TYR N 1 1 19 15361 2 2 3 TYR O O -8.738 1.818 -2.740 1.00 . B A . 3 TYR O 1 1 19 15362 2 2 3 TYR OH O -5.295 7.132 -8.244 1.00 . B A . 3 TYR OH 1 1 19 15363 2 2 4 SER C C -11.238 0.286 -2.648 1.00 . B A . 4 SER C 1 1 19 15364 2 2 4 SER CA C -11.511 1.798 -2.455 1.00 . B A . 4 SER CA 1 1 19 15365 2 2 4 SER CB C -13.011 2.102 -2.638 1.00 . B A . 4 SER CB 1 1 19 15366 2 2 4 SER H H -11.142 3.262 -3.972 1.00 . B A . 4 SER H 1 1 19 15367 2 2 4 SER HA H -11.204 2.087 -1.461 1.00 . B A . 4 SER HA 1 1 19 15368 2 2 4 SER HB2 H -13.186 3.156 -2.488 1.00 . B A . 4 SER HB2 1 1 19 15369 2 2 4 SER HB3 H -13.307 1.831 -3.641 1.00 . B A . 4 SER HB3 1 1 19 15370 2 2 4 SER HG H -13.780 1.851 -0.874 1.00 . B A . 4 SER HG 1 1 19 15371 2 2 4 SER N N -10.730 2.568 -3.415 1.00 . B A . 4 SER N 1 1 19 15372 2 2 4 SER O O -11.095 -0.465 -1.671 1.00 . B A . 4 SER O 1 1 19 15373 2 2 4 SER OG O -13.806 1.380 -1.716 1.00 . B A . 4 SER OG 1 1 19 15374 2 2 5 ALA C C -9.495 -1.956 -3.681 1.00 . B A . 5 ALA C 1 1 19 15375 2 2 5 ALA CA C -10.825 -1.523 -4.257 1.00 . B A . 5 ALA CA 1 1 19 15376 2 2 5 ALA CB C -10.825 -1.734 -5.760 1.00 . B A . 5 ALA CB 1 1 19 15377 2 2 5 ALA H H -11.229 0.503 -4.655 1.00 . B A . 5 ALA H 1 1 19 15378 2 2 5 ALA HA H -11.605 -2.133 -3.827 1.00 . B A . 5 ALA HA 1 1 19 15379 2 2 5 ALA HB1 H -11.770 -1.416 -6.173 1.00 . B A . 5 ALA HB1 1 1 19 15380 2 2 5 ALA HB2 H -10.667 -2.781 -5.976 1.00 . B A . 5 ALA HB2 1 1 19 15381 2 2 5 ALA HB3 H -10.027 -1.154 -6.201 1.00 . B A . 5 ALA HB3 1 1 19 15382 2 2 5 ALA N N -11.113 -0.136 -3.920 1.00 . B A . 5 ALA N 1 1 19 15383 2 2 5 ALA O O -9.373 -3.064 -3.206 1.00 . B A . 5 ALA O 1 1 19 15384 2 2 6 LEU C C -7.226 -1.828 -1.731 1.00 . B A . 6 LEU C 1 1 19 15385 2 2 6 LEU CA C -7.168 -1.308 -3.170 1.00 . B A . 6 LEU CA 1 1 19 15386 2 2 6 LEU CB C -6.292 -0.032 -3.239 1.00 . B A . 6 LEU CB 1 1 19 15387 2 2 6 LEU CD1 C -4.066 -1.165 -3.441 1.00 . B A . 6 LEU CD1 1 1 19 15388 2 2 6 LEU CD2 C -4.150 1.220 -2.674 1.00 . B A . 6 LEU CD2 1 1 19 15389 2 2 6 LEU CG C -4.863 -0.141 -2.670 1.00 . B A . 6 LEU CG 1 1 19 15390 2 2 6 LEU H H -8.710 -0.169 -4.089 1.00 . B A . 6 LEU H 1 1 19 15391 2 2 6 LEU HA H -6.725 -2.071 -3.792 1.00 . B A . 6 LEU HA 1 1 19 15392 2 2 6 LEU HB2 H -6.215 0.265 -4.276 1.00 . B A . 6 LEU HB2 1 1 19 15393 2 2 6 LEU HB3 H -6.806 0.752 -2.704 1.00 . B A . 6 LEU HB3 1 1 19 15394 2 2 6 LEU HD11 H -4.038 -0.886 -4.484 1.00 . B A . 6 LEU HD11 1 1 19 15395 2 2 6 LEU HD12 H -4.525 -2.138 -3.336 1.00 . B A . 6 LEU HD12 1 1 19 15396 2 2 6 LEU HD13 H -3.058 -1.199 -3.056 1.00 . B A . 6 LEU HD13 1 1 19 15397 2 2 6 LEU HD21 H -4.693 1.922 -2.060 1.00 . B A . 6 LEU HD21 1 1 19 15398 2 2 6 LEU HD22 H -4.095 1.599 -3.683 1.00 . B A . 6 LEU HD22 1 1 19 15399 2 2 6 LEU HD23 H -3.142 1.126 -2.287 1.00 . B A . 6 LEU HD23 1 1 19 15400 2 2 6 LEU HG H -4.928 -0.486 -1.648 1.00 . B A . 6 LEU HG 1 1 19 15401 2 2 6 LEU N N -8.515 -1.046 -3.696 1.00 . B A . 6 LEU N 1 1 19 15402 2 2 6 LEU O O -6.556 -2.806 -1.392 1.00 . B A . 6 LEU O 1 1 19 15403 2 2 7 ALA C C -8.739 -2.994 0.631 1.00 . B A . 7 ALA C 1 1 19 15404 2 2 7 ALA CA C -8.196 -1.577 0.484 1.00 . B A . 7 ALA CA 1 1 19 15405 2 2 7 ALA CB C -9.087 -0.581 1.218 1.00 . B A . 7 ALA CB 1 1 19 15406 2 2 7 ALA H H -8.644 -0.502 -1.283 1.00 . B A . 7 ALA H 1 1 19 15407 2 2 7 ALA HA H -7.209 -1.538 0.918 1.00 . B A . 7 ALA HA 1 1 19 15408 2 2 7 ALA HB1 H -8.685 0.416 1.102 1.00 . B A . 7 ALA HB1 1 1 19 15409 2 2 7 ALA HB2 H -9.124 -0.835 2.267 1.00 . B A . 7 ALA HB2 1 1 19 15410 2 2 7 ALA HB3 H -10.083 -0.617 0.803 1.00 . B A . 7 ALA HB3 1 1 19 15411 2 2 7 ALA N N -8.073 -1.210 -0.918 1.00 . B A . 7 ALA N 1 1 19 15412 2 2 7 ALA O O -8.217 -3.810 1.418 1.00 . B A . 7 ALA O 1 1 19 15413 2 2 8 ASN C C -9.498 -5.650 -0.711 1.00 . B A . 8 ASN C 1 1 19 15414 2 2 8 ASN CA C -10.386 -4.607 -0.099 1.00 . B A . 8 ASN CA 1 1 19 15415 2 2 8 ASN CB C -11.727 -4.617 -0.839 1.00 . B A . 8 ASN CB 1 1 19 15416 2 2 8 ASN CG C -12.708 -3.589 -0.342 1.00 . B A . 8 ASN CG 1 1 19 15417 2 2 8 ASN H H -10.056 -2.625 -0.793 1.00 . B A . 8 ASN H 1 1 19 15418 2 2 8 ASN HA H -10.558 -4.849 0.938 1.00 . B A . 8 ASN HA 1 1 19 15419 2 2 8 ASN HB2 H -11.548 -4.424 -1.886 1.00 . B A . 8 ASN HB2 1 1 19 15420 2 2 8 ASN HB3 H -12.173 -5.595 -0.738 1.00 . B A . 8 ASN HB3 1 1 19 15421 2 2 8 ASN HD21 H -13.585 -3.557 -2.105 1.00 . B A . 8 ASN HD21 1 1 19 15422 2 2 8 ASN HD22 H -14.265 -2.517 -0.923 1.00 . B A . 8 ASN HD22 1 1 19 15423 2 2 8 ASN N N -9.742 -3.302 -0.156 1.00 . B A . 8 ASN N 1 1 19 15424 2 2 8 ASN ND2 N -13.598 -3.182 -1.199 1.00 . B A . 8 ASN ND2 1 1 19 15425 2 2 8 ASN O O -9.315 -6.722 -0.159 1.00 . B A . 8 ASN O 1 1 19 15426 2 2 8 ASN OD1 O -12.675 -3.175 0.817 1.00 . B A . 8 ASN OD1 1 1 19 15427 2 2 9 LYS C C -6.896 -6.654 -1.790 1.00 . B A . 9 LYS C 1 1 19 15428 2 2 9 LYS CA C -8.094 -6.217 -2.604 1.00 . B A . 9 LYS CA 1 1 19 15429 2 2 9 LYS CB C -7.625 -5.552 -3.906 1.00 . B A . 9 LYS CB 1 1 19 15430 2 2 9 LYS CD C -8.419 -7.313 -5.497 1.00 . B A . 9 LYS CD 1 1 19 15431 2 2 9 LYS CE C -8.038 -8.310 -6.566 1.00 . B A . 9 LYS CE 1 1 19 15432 2 2 9 LYS CG C -7.213 -6.527 -4.997 1.00 . B A . 9 LYS CG 1 1 19 15433 2 2 9 LYS H H -9.041 -4.392 -2.176 1.00 . B A . 9 LYS H 1 1 19 15434 2 2 9 LYS HA H -8.683 -7.089 -2.838 1.00 . B A . 9 LYS HA 1 1 19 15435 2 2 9 LYS HB2 H -8.401 -4.904 -4.284 1.00 . B A . 9 LYS HB2 1 1 19 15436 2 2 9 LYS HB3 H -6.768 -4.938 -3.669 1.00 . B A . 9 LYS HB3 1 1 19 15437 2 2 9 LYS HD2 H -8.862 -7.856 -4.676 1.00 . B A . 9 LYS HD2 1 1 19 15438 2 2 9 LYS HD3 H -9.143 -6.623 -5.903 1.00 . B A . 9 LYS HD3 1 1 19 15439 2 2 9 LYS HE2 H -7.568 -7.775 -7.378 1.00 . B A . 9 LYS HE2 1 1 19 15440 2 2 9 LYS HE3 H -7.335 -9.017 -6.151 1.00 . B A . 9 LYS HE3 1 1 19 15441 2 2 9 LYS HG2 H -6.781 -5.977 -5.821 1.00 . B A . 9 LYS HG2 1 1 19 15442 2 2 9 LYS HG3 H -6.483 -7.215 -4.597 1.00 . B A . 9 LYS HG3 1 1 19 15443 2 2 9 LYS HZ1 H -9.852 -8.414 -7.615 1.00 . B A . 9 LYS HZ1 1 1 19 15444 2 2 9 LYS HZ2 H -9.761 -9.470 -6.306 1.00 . B A . 9 LYS HZ2 1 1 19 15445 2 2 9 LYS HZ3 H -8.921 -9.813 -7.707 1.00 . B A . 9 LYS HZ3 1 1 19 15446 2 2 9 LYS N N -8.911 -5.306 -1.834 1.00 . B A . 9 LYS N 1 1 19 15447 2 2 9 LYS NZ N -9.217 -9.039 -7.080 1.00 . B A . 9 LYS NZ 1 1 19 15448 2 2 9 LYS O O -6.564 -7.832 -1.762 1.00 . B A . 9 LYS O 1 1 19 15449 2 2 10 CYS C C -5.516 -6.848 0.901 1.00 . B A . 10 CYS C 1 1 19 15450 2 2 10 CYS CA C -5.131 -5.991 -0.284 1.00 . B A . 10 CYS CA 1 1 19 15451 2 2 10 CYS CB C -4.513 -4.695 0.213 1.00 . B A . 10 CYS CB 1 1 19 15452 2 2 10 CYS H H -6.631 -4.792 -1.140 1.00 . B A . 10 CYS H 1 1 19 15453 2 2 10 CYS HA H -4.396 -6.531 -0.868 1.00 . B A . 10 CYS HA 1 1 19 15454 2 2 10 CYS HB2 H -4.566 -3.934 -0.550 1.00 . B A . 10 CYS HB2 1 1 19 15455 2 2 10 CYS HB3 H -5.088 -4.359 1.062 1.00 . B A . 10 CYS HB3 1 1 19 15456 2 2 10 CYS N N -6.296 -5.715 -1.097 1.00 . B A . 10 CYS N 1 1 19 15457 2 2 10 CYS O O -4.772 -7.729 1.305 1.00 . B A . 10 CYS O 1 1 19 15458 2 2 10 CYS SG S -2.792 -4.870 0.760 1.00 . B A . 10 CYS SG 1 1 19 15459 2 2 11 CYS C C -7.538 -8.774 2.194 1.00 . B A . 11 CYS C 1 1 19 15460 2 2 11 CYS CA C -7.149 -7.335 2.578 1.00 . B A . 11 CYS CA 1 1 19 15461 2 2 11 CYS CB C -8.322 -6.602 3.223 1.00 . B A . 11 CYS CB 1 1 19 15462 2 2 11 CYS H H -7.284 -5.923 1.043 1.00 . B A . 11 CYS H 1 1 19 15463 2 2 11 CYS HA H -6.330 -7.374 3.282 1.00 . B A . 11 CYS HA 1 1 19 15464 2 2 11 CYS HB2 H -8.146 -5.538 3.173 1.00 . B A . 11 CYS HB2 1 1 19 15465 2 2 11 CYS HB3 H -9.220 -6.834 2.670 1.00 . B A . 11 CYS HB3 1 1 19 15466 2 2 11 CYS N N -6.700 -6.615 1.423 1.00 . B A . 11 CYS N 1 1 19 15467 2 2 11 CYS O O -7.396 -9.710 2.993 1.00 . B A . 11 CYS O 1 1 19 15468 2 2 11 CYS SG S -8.605 -7.049 4.956 1.00 . B A . 11 CYS SG 1 1 19 15469 2 2 12 HIS C C -7.195 -11.041 -0.038 1.00 . B A . 12 HIS C 1 1 19 15470 2 2 12 HIS CA C -8.389 -10.273 0.486 1.00 . B A . 12 HIS CA 1 1 19 15471 2 2 12 HIS CB C -9.483 -10.205 -0.585 1.00 . B A . 12 HIS CB 1 1 19 15472 2 2 12 HIS CD2 C -11.349 -8.851 0.588 1.00 . B A . 12 HIS CD2 1 1 19 15473 2 2 12 HIS CE1 C -12.985 -10.250 0.391 1.00 . B A . 12 HIS CE1 1 1 19 15474 2 2 12 HIS CG C -10.858 -9.936 -0.050 1.00 . B A . 12 HIS CG 1 1 19 15475 2 2 12 HIS H H -8.141 -8.173 0.381 1.00 . B A . 12 HIS H 1 1 19 15476 2 2 12 HIS HA H -8.780 -10.819 1.331 1.00 . B A . 12 HIS HA 1 1 19 15477 2 2 12 HIS HB2 H -9.239 -9.408 -1.272 1.00 . B A . 12 HIS HB2 1 1 19 15478 2 2 12 HIS HB3 H -9.497 -11.138 -1.126 1.00 . B A . 12 HIS HB3 1 1 19 15479 2 2 12 HIS HD1 H -11.902 -11.702 -0.589 1.00 . B A . 12 HIS HD1 1 1 19 15480 2 2 12 HIS HD2 H -10.779 -7.970 0.842 1.00 . B A . 12 HIS HD2 1 1 19 15481 2 2 12 HIS HE1 H -13.960 -10.711 0.450 1.00 . B A . 12 HIS HE1 1 1 19 15482 2 2 12 HIS N N -8.019 -8.952 0.969 1.00 . B A . 12 HIS N 1 1 19 15483 2 2 12 HIS ND1 N -11.914 -10.813 -0.167 1.00 . B A . 12 HIS ND1 1 1 19 15484 2 2 12 HIS NE2 N -12.696 -9.052 0.865 1.00 . B A . 12 HIS NE2 1 1 19 15485 2 2 12 HIS O O -6.899 -12.133 0.433 1.00 . B A . 12 HIS O 1 1 19 15486 2 2 13 VAL C C -4.069 -10.464 -1.372 1.00 . B A . 13 VAL C 1 1 19 15487 2 2 13 VAL CA C -5.399 -11.163 -1.624 1.00 . B A . 13 VAL CA 1 1 19 15488 2 2 13 VAL CB C -5.641 -11.391 -3.148 1.00 . B A . 13 VAL CB 1 1 19 15489 2 2 13 VAL CG1 C -6.791 -12.355 -3.352 1.00 . B A . 13 VAL CG1 1 1 19 15490 2 2 13 VAL CG2 C -5.940 -10.096 -3.897 1.00 . B A . 13 VAL CG2 1 1 19 15491 2 2 13 VAL H H -6.728 -9.558 -1.262 1.00 . B A . 13 VAL H 1 1 19 15492 2 2 13 VAL HA H -5.340 -12.131 -1.148 1.00 . B A . 13 VAL HA 1 1 19 15493 2 2 13 VAL HB H -4.724 -11.806 -3.533 1.00 . B A . 13 VAL HB 1 1 19 15494 2 2 13 VAL HG11 H -6.550 -13.307 -2.905 1.00 . B A . 13 VAL HG11 1 1 19 15495 2 2 13 VAL HG12 H -6.982 -12.478 -4.407 1.00 . B A . 13 VAL HG12 1 1 19 15496 2 2 13 VAL HG13 H -7.672 -11.950 -2.873 1.00 . B A . 13 VAL HG13 1 1 19 15497 2 2 13 VAL HG21 H -6.827 -9.637 -3.486 1.00 . B A . 13 VAL HG21 1 1 19 15498 2 2 13 VAL HG22 H -6.099 -10.317 -4.942 1.00 . B A . 13 VAL HG22 1 1 19 15499 2 2 13 VAL HG23 H -5.104 -9.419 -3.796 1.00 . B A . 13 VAL HG23 1 1 19 15500 2 2 13 VAL N N -6.507 -10.477 -0.990 1.00 . B A . 13 VAL N 1 1 19 15501 2 2 13 VAL O O -3.072 -11.098 -0.997 1.00 . B A . 13 VAL O 1 1 19 15502 2 2 14 GLY C C -2.843 -7.238 -2.299 1.00 . B A . 14 GLY C 1 1 19 15503 2 2 14 GLY CA C -2.903 -8.394 -1.352 1.00 . B A . 14 GLY CA 1 1 19 15504 2 2 14 GLY H H -4.853 -8.779 -1.989 1.00 . B A . 14 GLY H 1 1 19 15505 2 2 14 GLY HA2 H -2.961 -8.011 -0.345 1.00 . B A . 14 GLY HA2 1 1 19 15506 2 2 14 GLY HA3 H -1.997 -8.966 -1.431 1.00 . B A . 14 GLY HA3 1 1 19 15507 2 2 14 GLY N N -4.056 -9.195 -1.596 1.00 . B A . 14 GLY N 1 1 19 15508 2 2 14 GLY O O -3.661 -7.146 -3.222 1.00 . B A . 14 GLY O 1 1 19 15509 2 2 15 CYS C C -0.324 -4.874 -3.049 1.00 . B A . 15 CYS C 1 1 19 15510 2 2 15 CYS CA C -1.775 -5.180 -2.866 1.00 . B A . 15 CYS CA 1 1 19 15511 2 2 15 CYS CB C -2.440 -4.009 -2.179 1.00 . B A . 15 CYS CB 1 1 19 15512 2 2 15 CYS H H -1.299 -6.500 -1.321 1.00 . B A . 15 CYS H 1 1 19 15513 2 2 15 CYS HA H -2.250 -5.339 -3.821 1.00 . B A . 15 CYS HA 1 1 19 15514 2 2 15 CYS HB2 H -2.275 -3.137 -2.794 1.00 . B A . 15 CYS HB2 1 1 19 15515 2 2 15 CYS HB3 H -3.497 -4.202 -2.122 1.00 . B A . 15 CYS HB3 1 1 19 15516 2 2 15 CYS N N -1.924 -6.361 -2.070 1.00 . B A . 15 CYS N 1 1 19 15517 2 2 15 CYS O O 0.519 -5.375 -2.308 1.00 . B A . 15 CYS O 1 1 19 15518 2 2 15 CYS SG S -1.791 -3.631 -0.498 1.00 . B A . 15 CYS SG 1 1 19 15519 2 2 16 THR C C 1.641 -2.351 -3.636 1.00 . B A . 16 THR C 1 1 19 15520 2 2 16 THR CA C 1.316 -3.699 -4.243 1.00 . B A . 16 THR CA 1 1 19 15521 2 2 16 THR CB C 1.679 -3.755 -5.734 1.00 . B A . 16 THR CB 1 1 19 15522 2 2 16 THR CG2 C 1.774 -5.191 -6.220 1.00 . B A . 16 THR CG2 1 1 19 15523 2 2 16 THR H H -0.726 -3.649 -4.548 1.00 . B A . 16 THR H 1 1 19 15524 2 2 16 THR HA H 1.919 -4.426 -3.725 1.00 . B A . 16 THR HA 1 1 19 15525 2 2 16 THR HB H 2.641 -3.282 -5.857 1.00 . B A . 16 THR HB 1 1 19 15526 2 2 16 THR HG1 H 0.112 -3.706 -6.881 1.00 . B A . 16 THR HG1 1 1 19 15527 2 2 16 THR HG21 H 0.827 -5.684 -6.060 1.00 . B A . 16 THR HG21 1 1 19 15528 2 2 16 THR HG22 H 2.545 -5.708 -5.669 1.00 . B A . 16 THR HG22 1 1 19 15529 2 2 16 THR HG23 H 2.015 -5.200 -7.272 1.00 . B A . 16 THR HG23 1 1 19 15530 2 2 16 THR N N -0.022 -4.057 -4.001 1.00 . B A . 16 THR N 1 1 19 15531 2 2 16 THR O O 0.770 -1.491 -3.464 1.00 . B A . 16 THR O 1 1 19 15532 2 2 16 THR OG1 O 0.705 -3.049 -6.501 1.00 . B A . 16 THR OG1 1 1 19 15533 2 2 17 LYS C C 3.222 0.207 -3.628 1.00 . B A . 17 LYS C 1 1 19 15534 2 2 17 LYS CA C 3.385 -0.984 -2.665 1.00 . B A . 17 LYS CA 1 1 19 15535 2 2 17 LYS CB C 4.852 -1.243 -2.200 1.00 . B A . 17 LYS CB 1 1 19 15536 2 2 17 LYS CD C 4.570 -0.222 0.120 1.00 . B A . 17 LYS CD 1 1 19 15537 2 2 17 LYS CE C 4.578 -1.535 0.924 1.00 . B A . 17 LYS CE 1 1 19 15538 2 2 17 LYS CG C 5.420 -0.286 -1.161 1.00 . B A . 17 LYS CG 1 1 19 15539 2 2 17 LYS H H 3.473 -2.951 -3.493 1.00 . B A . 17 LYS H 1 1 19 15540 2 2 17 LYS HA H 2.756 -0.754 -1.816 1.00 . B A . 17 LYS HA 1 1 19 15541 2 2 17 LYS HB2 H 4.889 -2.233 -1.778 1.00 . B A . 17 LYS HB2 1 1 19 15542 2 2 17 LYS HB3 H 5.533 -1.231 -3.041 1.00 . B A . 17 LYS HB3 1 1 19 15543 2 2 17 LYS HD2 H 4.970 0.564 0.742 1.00 . B A . 17 LYS HD2 1 1 19 15544 2 2 17 LYS HD3 H 3.556 0.030 -0.146 1.00 . B A . 17 LYS HD3 1 1 19 15545 2 2 17 LYS HE2 H 3.845 -1.458 1.713 1.00 . B A . 17 LYS HE2 1 1 19 15546 2 2 17 LYS HE3 H 4.306 -2.350 0.270 1.00 . B A . 17 LYS HE3 1 1 19 15547 2 2 17 LYS HG2 H 6.386 -0.693 -0.902 1.00 . B A . 17 LYS HG2 1 1 19 15548 2 2 17 LYS HG3 H 5.538 0.696 -1.592 1.00 . B A . 17 LYS HG3 1 1 19 15549 2 2 17 LYS HZ1 H 6.123 -1.163 2.310 1.00 . B A . 17 LYS HZ1 1 1 19 15550 2 2 17 LYS HZ2 H 6.666 -1.790 0.843 1.00 . B A . 17 LYS HZ2 1 1 19 15551 2 2 17 LYS HZ3 H 5.923 -2.794 1.918 1.00 . B A . 17 LYS HZ3 1 1 19 15552 2 2 17 LYS N N 2.882 -2.186 -3.303 1.00 . B A . 17 LYS N 1 1 19 15553 2 2 17 LYS NZ N 5.896 -1.823 1.538 1.00 . B A . 17 LYS NZ 1 1 19 15554 2 2 17 LYS O O 2.781 1.269 -3.230 1.00 . B A . 17 LYS O 1 1 19 15555 2 2 18 ARG C C 1.814 1.411 -6.047 1.00 . B A . 18 ARG C 1 1 19 15556 2 2 18 ARG CA C 3.272 0.951 -5.997 1.00 . B A . 18 ARG CA 1 1 19 15557 2 2 18 ARG CB C 3.624 0.313 -7.342 1.00 . B A . 18 ARG CB 1 1 19 15558 2 2 18 ARG CD C 3.513 -1.691 -8.858 1.00 . B A . 18 ARG CD 1 1 19 15559 2 2 18 ARG CG C 3.068 -1.084 -7.547 1.00 . B A . 18 ARG CG 1 1 19 15560 2 2 18 ARG CZ C 3.561 -1.015 -11.248 1.00 . B A . 18 ARG CZ 1 1 19 15561 2 2 18 ARG H H 3.939 -0.883 -5.117 1.00 . B A . 18 ARG H 1 1 19 15562 2 2 18 ARG HA H 3.914 1.805 -5.841 1.00 . B A . 18 ARG HA 1 1 19 15563 2 2 18 ARG HB2 H 3.139 0.925 -8.084 1.00 . B A . 18 ARG HB2 1 1 19 15564 2 2 18 ARG HB3 H 4.688 0.292 -7.496 1.00 . B A . 18 ARG HB3 1 1 19 15565 2 2 18 ARG HD2 H 4.593 -1.693 -8.895 1.00 . B A . 18 ARG HD2 1 1 19 15566 2 2 18 ARG HD3 H 3.154 -2.709 -8.895 1.00 . B A . 18 ARG HD3 1 1 19 15567 2 2 18 ARG HE H 2.169 -0.479 -9.866 1.00 . B A . 18 ARG HE 1 1 19 15568 2 2 18 ARG HG2 H 3.435 -1.705 -6.745 1.00 . B A . 18 ARG HG2 1 1 19 15569 2 2 18 ARG HG3 H 1.990 -1.047 -7.514 1.00 . B A . 18 ARG HG3 1 1 19 15570 2 2 18 ARG HH11 H 5.268 -2.031 -10.677 1.00 . B A . 18 ARG HH11 1 1 19 15571 2 2 18 ARG HH12 H 5.182 -1.651 -12.336 1.00 . B A . 18 ARG HH12 1 1 19 15572 2 2 18 ARG HH21 H 2.060 0.029 -12.170 1.00 . B A . 18 ARG HH21 1 1 19 15573 2 2 18 ARG HH22 H 3.331 -0.423 -13.196 1.00 . B A . 18 ARG HH22 1 1 19 15574 2 2 18 ARG N N 3.508 -0.028 -4.900 1.00 . B A . 18 ARG N 1 1 19 15575 2 2 18 ARG NE N 3.005 -0.973 -10.025 1.00 . B A . 18 ARG NE 1 1 19 15576 2 2 18 ARG NH1 N 4.747 -1.606 -11.432 1.00 . B A . 18 ARG NH1 1 1 19 15577 2 2 18 ARG NH2 N 2.942 -0.438 -12.269 1.00 . B A . 18 ARG NH2 1 1 19 15578 2 2 18 ARG O O 1.498 2.566 -6.340 1.00 . B A . 18 ARG O 1 1 19 15579 2 2 19 SER C C -0.886 1.581 -4.605 1.00 . B A . 19 SER C 1 1 19 15580 2 2 19 SER CA C -0.439 0.708 -5.787 1.00 . B A . 19 SER CA 1 1 19 15581 2 2 19 SER CB C -1.129 -0.649 -5.803 1.00 . B A . 19 SER CB 1 1 19 15582 2 2 19 SER H H 1.353 -0.355 -5.492 1.00 . B A . 19 SER H 1 1 19 15583 2 2 19 SER HA H -0.670 1.226 -6.706 1.00 . B A . 19 SER HA 1 1 19 15584 2 2 19 SER HB2 H -0.660 -1.252 -6.566 1.00 . B A . 19 SER HB2 1 1 19 15585 2 2 19 SER HB3 H -0.990 -1.143 -4.852 1.00 . B A . 19 SER HB3 1 1 19 15586 2 2 19 SER HG H -2.855 -1.439 -6.016 1.00 . B A . 19 SER HG 1 1 19 15587 2 2 19 SER N N 0.968 0.505 -5.746 1.00 . B A . 19 SER N 1 1 19 15588 2 2 19 SER O O -1.759 2.430 -4.747 1.00 . B A . 19 SER O 1 1 19 15589 2 2 19 SER OG O -2.497 -0.546 -6.090 1.00 . B A . 19 SER OG 1 1 19 15590 2 2 20 LEU C C 0.052 3.608 -2.542 1.00 . B A . 20 LEU C 1 1 19 15591 2 2 20 LEU CA C -0.596 2.276 -2.310 1.00 . B A . 20 LEU CA 1 1 19 15592 2 2 20 LEU CB C -0.118 1.741 -0.960 1.00 . B A . 20 LEU CB 1 1 19 15593 2 2 20 LEU CD1 C 0.602 -0.110 0.529 1.00 . B A . 20 LEU CD1 1 1 19 15594 2 2 20 LEU CD2 C -1.574 -0.246 -0.589 1.00 . B A . 20 LEU CD2 1 1 19 15595 2 2 20 LEU CG C -0.161 0.239 -0.725 1.00 . B A . 20 LEU CG 1 1 19 15596 2 2 20 LEU H H 0.390 0.680 -3.358 1.00 . B A . 20 LEU H 1 1 19 15597 2 2 20 LEU HA H -1.652 2.478 -2.287 1.00 . B A . 20 LEU HA 1 1 19 15598 2 2 20 LEU HB2 H 0.841 2.152 -0.699 1.00 . B A . 20 LEU HB2 1 1 19 15599 2 2 20 LEU HB3 H -0.812 2.172 -0.251 1.00 . B A . 20 LEU HB3 1 1 19 15600 2 2 20 LEU HD11 H 1.616 0.252 0.449 1.00 . B A . 20 LEU HD11 1 1 19 15601 2 2 20 LEU HD12 H 0.616 -1.183 0.644 1.00 . B A . 20 LEU HD12 1 1 19 15602 2 2 20 LEU HD13 H 0.122 0.342 1.385 1.00 . B A . 20 LEU HD13 1 1 19 15603 2 2 20 LEU HD21 H -2.119 0.345 0.132 1.00 . B A . 20 LEU HD21 1 1 19 15604 2 2 20 LEU HD22 H -1.548 -1.280 -0.285 1.00 . B A . 20 LEU HD22 1 1 19 15605 2 2 20 LEU HD23 H -2.035 -0.196 -1.562 1.00 . B A . 20 LEU HD23 1 1 19 15606 2 2 20 LEU HG H 0.282 -0.252 -1.579 1.00 . B A . 20 LEU HG 1 1 19 15607 2 2 20 LEU N N -0.264 1.408 -3.445 1.00 . B A . 20 LEU N 1 1 19 15608 2 2 20 LEU O O -0.441 4.622 -2.084 1.00 . B A . 20 LEU O 1 1 19 15609 2 2 21 ALA C C 1.008 5.789 -4.370 1.00 . B A . 21 ALA C 1 1 19 15610 2 2 21 ALA CA C 1.893 4.812 -3.616 1.00 . B A . 21 ALA CA 1 1 19 15611 2 2 21 ALA CB C 3.127 4.493 -4.447 1.00 . B A . 21 ALA CB 1 1 19 15612 2 2 21 ALA H H 1.466 2.694 -3.546 1.00 . B A . 21 ALA H 1 1 19 15613 2 2 21 ALA HA H 2.210 5.276 -2.693 1.00 . B A . 21 ALA HA 1 1 19 15614 2 2 21 ALA HB1 H 3.731 3.752 -3.947 1.00 . B A . 21 ALA HB1 1 1 19 15615 2 2 21 ALA HB2 H 3.709 5.392 -4.586 1.00 . B A . 21 ALA HB2 1 1 19 15616 2 2 21 ALA HB3 H 2.819 4.113 -5.409 1.00 . B A . 21 ALA HB3 1 1 19 15617 2 2 21 ALA N N 1.154 3.589 -3.269 1.00 . B A . 21 ALA N 1 1 19 15618 2 2 21 ALA O O 1.000 6.986 -4.088 1.00 . B A . 21 ALA O 1 1 19 15619 2 2 22 ARG C C -1.922 6.565 -5.318 1.00 . B A . 22 ARG C 1 1 19 15620 2 2 22 ARG CA C -0.675 6.103 -6.098 1.00 . B A . 22 ARG CA 1 1 19 15621 2 2 22 ARG CB C -1.040 5.402 -7.419 1.00 . B A . 22 ARG CB 1 1 19 15622 2 2 22 ARG CD C -1.893 3.347 -8.573 1.00 . B A . 22 ARG CD 1 1 19 15623 2 2 22 ARG CG C -1.841 4.125 -7.271 1.00 . B A . 22 ARG CG 1 1 19 15624 2 2 22 ARG CZ C -2.003 4.116 -10.944 1.00 . B A . 22 ARG CZ 1 1 19 15625 2 2 22 ARG H H 0.228 4.288 -5.410 1.00 . B A . 22 ARG H 1 1 19 15626 2 2 22 ARG HA H -0.105 6.991 -6.326 1.00 . B A . 22 ARG HA 1 1 19 15627 2 2 22 ARG HB2 H -1.618 6.084 -8.025 1.00 . B A . 22 ARG HB2 1 1 19 15628 2 2 22 ARG HB3 H -0.126 5.167 -7.944 1.00 . B A . 22 ARG HB3 1 1 19 15629 2 2 22 ARG HD2 H -0.888 3.060 -8.840 1.00 . B A . 22 ARG HD2 1 1 19 15630 2 2 22 ARG HD3 H -2.480 2.454 -8.414 1.00 . B A . 22 ARG HD3 1 1 19 15631 2 2 22 ARG HE H -3.315 4.590 -9.475 1.00 . B A . 22 ARG HE 1 1 19 15632 2 2 22 ARG HG2 H -1.377 3.509 -6.515 1.00 . B A . 22 ARG HG2 1 1 19 15633 2 2 22 ARG HG3 H -2.846 4.370 -6.965 1.00 . B A . 22 ARG HG3 1 1 19 15634 2 2 22 ARG HH11 H -0.240 3.150 -10.512 1.00 . B A . 22 ARG HH11 1 1 19 15635 2 2 22 ARG HH12 H -0.451 3.561 -12.151 1.00 . B A . 22 ARG HH12 1 1 19 15636 2 2 22 ARG HH21 H -3.565 5.168 -11.734 1.00 . B A . 22 ARG HH21 1 1 19 15637 2 2 22 ARG HH22 H -2.361 4.704 -12.867 1.00 . B A . 22 ARG HH22 1 1 19 15638 2 2 22 ARG N N 0.205 5.263 -5.282 1.00 . B A . 22 ARG N 1 1 19 15639 2 2 22 ARG NE N -2.482 4.109 -9.686 1.00 . B A . 22 ARG NE 1 1 19 15640 2 2 22 ARG NH1 N -0.815 3.572 -11.215 1.00 . B A . 22 ARG NH1 1 1 19 15641 2 2 22 ARG NH2 N -2.688 4.711 -11.918 1.00 . B A . 22 ARG NH2 1 1 19 15642 2 2 22 ARG O O -2.787 7.261 -5.851 1.00 . B A . 22 ARG O 1 1 19 15643 2 2 23 PHE C C -2.478 7.501 -2.126 1.00 . B A . 23 PHE C 1 1 19 15644 2 2 23 PHE CA C -3.069 6.623 -3.199 1.00 . B A . 23 PHE CA 1 1 19 15645 2 2 23 PHE CB C -3.777 5.423 -2.569 1.00 . B A . 23 PHE CB 1 1 19 15646 2 2 23 PHE CD1 C -6.073 6.445 -2.472 1.00 . B A . 23 PHE CD1 1 1 19 15647 2 2 23 PHE CD2 C -5.212 5.421 -0.508 1.00 . B A . 23 PHE CD2 1 1 19 15648 2 2 23 PHE CE1 C -7.241 6.755 -1.807 1.00 . B A . 23 PHE CE1 1 1 19 15649 2 2 23 PHE CE2 C -6.377 5.730 0.164 1.00 . B A . 23 PHE CE2 1 1 19 15650 2 2 23 PHE CG C -5.045 5.775 -1.832 1.00 . B A . 23 PHE CG 1 1 19 15651 2 2 23 PHE CZ C -7.392 6.396 -0.487 1.00 . B A . 23 PHE CZ 1 1 19 15652 2 2 23 PHE H H -1.288 5.611 -3.703 1.00 . B A . 23 PHE H 1 1 19 15653 2 2 23 PHE HA H -3.770 7.198 -3.779 1.00 . B A . 23 PHE HA 1 1 19 15654 2 2 23 PHE HB2 H -3.965 4.684 -3.325 1.00 . B A . 23 PHE HB2 1 1 19 15655 2 2 23 PHE HB3 H -3.107 4.967 -1.856 1.00 . B A . 23 PHE HB3 1 1 19 15656 2 2 23 PHE HD1 H -5.957 6.728 -3.508 1.00 . B A . 23 PHE HD1 1 1 19 15657 2 2 23 PHE HD2 H -4.419 4.899 0.007 1.00 . B A . 23 PHE HD2 1 1 19 15658 2 2 23 PHE HE1 H -8.034 7.278 -2.319 1.00 . B A . 23 PHE HE1 1 1 19 15659 2 2 23 PHE HE2 H -6.496 5.447 1.198 1.00 . B A . 23 PHE HE2 1 1 19 15660 2 2 23 PHE HZ H -8.304 6.636 0.038 1.00 . B A . 23 PHE HZ 1 1 19 15661 2 2 23 PHE N N -1.997 6.188 -4.059 1.00 . B A . 23 PHE N 1 1 19 15662 2 2 23 PHE O O -2.683 8.714 -2.113 1.00 . B A . 23 PHE O 1 1 19 15663 2 2 24 CYS C C -1.903 8.077 0.905 1.00 . B A . 24 CYS C 1 1 19 15664 2 2 24 CYS CA C -0.968 7.462 -0.157 1.00 . B A . 24 CYS CA 1 1 19 15665 2 2 24 CYS CB C 0.089 8.473 -0.656 1.00 . B A . 24 CYS CB 1 1 19 15666 2 2 24 CYS H H -1.638 5.889 -1.457 1.00 . B A . 24 CYS H 1 1 19 15667 2 2 24 CYS HA H -0.455 6.642 0.326 1.00 . B A . 24 CYS HA 1 1 19 15668 2 2 24 CYS HB2 H 0.704 7.994 -1.404 1.00 . B A . 24 CYS HB2 1 1 19 15669 2 2 24 CYS HB3 H -0.425 9.307 -1.108 1.00 . B A . 24 CYS HB3 1 1 19 15670 2 2 24 CYS N N -1.709 6.856 -1.280 1.00 . B A . 24 CYS N 1 1 19 15671 2 2 24 CYS O O -2.087 7.516 1.979 1.00 . B A . 24 CYS O 1 1 19 15672 2 2 24 CYS SG S 1.216 9.136 0.630 1.00 . B A . 24 CYS SG 1 1 19 15673 2 2 25 NH2 HN1 H -2.288 9.626 -0.251 1.00 . B A . 25 NH2 HN1 1 1 19 15674 2 2 25 NH2 HN2 H -3.049 9.633 1.302 1.00 . B A . 25 NH2 HN2 1 1 19 15675 2 2 25 NH2 N N -2.470 9.225 0.625 1.00 . B A . 25 NH2 N 1 1 20 15676 1 1 1 ASP C C 12.455 2.154 -4.495 1.00 . A B . 1 ASP C 1 1 20 15677 1 1 1 ASP CA C 12.685 3.472 -3.775 1.00 . A B . 1 ASP CA 1 1 20 15678 1 1 1 ASP CB C 12.664 4.586 -4.803 1.00 . A B . 1 ASP CB 1 1 20 15679 1 1 1 ASP CG C 13.677 4.417 -5.900 1.00 . A B . 1 ASP CG 1 1 20 15680 1 1 1 ASP H1 H 14.032 4.373 -2.492 1.00 . A B . 1 ASP H1 1 1 20 15681 1 1 1 ASP H2 H 14.762 3.460 -3.670 1.00 . A B . 1 ASP H2 1 1 20 15682 1 1 1 ASP H3 H 14.045 2.698 -2.350 1.00 . A B . 1 ASP H3 1 1 20 15683 1 1 1 ASP HA H 11.864 3.619 -3.088 1.00 . A B . 1 ASP HA 1 1 20 15684 1 1 1 ASP HB2 H 11.708 4.489 -5.283 1.00 . A B . 1 ASP HB2 1 1 20 15685 1 1 1 ASP HB3 H 12.779 5.552 -4.335 1.00 . A B . 1 ASP HB3 1 1 20 15686 1 1 1 ASP N N 13.950 3.482 -3.024 1.00 . A B . 1 ASP N 1 1 20 15687 1 1 1 ASP O O 11.334 1.789 -4.751 1.00 . A B . 1 ASP O 1 1 20 15688 1 1 1 ASP OD1 O 14.881 4.348 -5.604 1.00 . A B . 1 ASP OD1 1 1 20 15689 1 1 1 ASP OD2 O 13.276 4.322 -7.078 1.00 . A B . 1 ASP OD2 1 1 20 15690 1 1 2 SER C C 12.566 -0.912 -4.797 1.00 . A B . 2 SER C 1 1 20 15691 1 1 2 SER CA C 13.441 0.141 -5.523 1.00 . A B . 2 SER CA 1 1 20 15692 1 1 2 SER CB C 14.849 -0.369 -5.746 1.00 . A B . 2 SER CB 1 1 20 15693 1 1 2 SER H H 14.393 1.811 -4.604 1.00 . A B . 2 SER H 1 1 20 15694 1 1 2 SER HA H 12.978 0.336 -6.467 1.00 . A B . 2 SER HA 1 1 20 15695 1 1 2 SER HB2 H 15.252 -0.755 -4.822 1.00 . A B . 2 SER HB2 1 1 20 15696 1 1 2 SER HB3 H 14.838 -1.150 -6.492 1.00 . A B . 2 SER HB3 1 1 20 15697 1 1 2 SER HG H 15.336 1.005 -7.058 1.00 . A B . 2 SER HG 1 1 20 15698 1 1 2 SER N N 13.508 1.441 -4.801 1.00 . A B . 2 SER N 1 1 20 15699 1 1 2 SER O O 12.061 -1.877 -5.391 1.00 . A B . 2 SER O 1 1 20 15700 1 1 2 SER OG O 15.684 0.692 -6.212 1.00 . A B . 2 SER OG 1 1 20 15701 1 1 3 TRP C C 10.057 -1.310 -2.936 1.00 . A B . 3 TRP C 1 1 20 15702 1 1 3 TRP CA C 11.555 -1.480 -2.672 1.00 . A B . 3 TRP CA 1 1 20 15703 1 1 3 TRP CB C 11.881 -1.167 -1.188 1.00 . A B . 3 TRP CB 1 1 20 15704 1 1 3 TRP CD1 C 12.922 1.111 -0.621 1.00 . A B . 3 TRP CD1 1 1 20 15705 1 1 3 TRP CD2 C 10.688 1.141 -0.674 1.00 . A B . 3 TRP CD2 1 1 20 15706 1 1 3 TRP CE2 C 11.141 2.432 -0.366 1.00 . A B . 3 TRP CE2 1 1 20 15707 1 1 3 TRP CE3 C 9.317 0.917 -0.761 1.00 . A B . 3 TRP CE3 1 1 20 15708 1 1 3 TRP CG C 11.848 0.306 -0.837 1.00 . A B . 3 TRP CG 1 1 20 15709 1 1 3 TRP CH2 C 8.931 3.235 -0.244 1.00 . A B . 3 TRP CH2 1 1 20 15710 1 1 3 TRP CZ2 C 10.268 3.493 -0.147 1.00 . A B . 3 TRP CZ2 1 1 20 15711 1 1 3 TRP CZ3 C 8.459 1.952 -0.549 1.00 . A B . 3 TRP CZ3 1 1 20 15712 1 1 3 TRP H H 12.786 0.175 -3.276 1.00 . A B . 3 TRP H 1 1 20 15713 1 1 3 TRP HA H 11.818 -2.508 -2.865 1.00 . A B . 3 TRP HA 1 1 20 15714 1 1 3 TRP HB2 H 11.155 -1.663 -0.562 1.00 . A B . 3 TRP HB2 1 1 20 15715 1 1 3 TRP HB3 H 12.864 -1.547 -0.952 1.00 . A B . 3 TRP HB3 1 1 20 15716 1 1 3 TRP HD1 H 13.950 0.782 -0.666 1.00 . A B . 3 TRP HD1 1 1 20 15717 1 1 3 TRP HE1 H 13.093 3.156 -0.151 1.00 . A B . 3 TRP HE1 1 1 20 15718 1 1 3 TRP HE3 H 8.923 -0.062 -0.997 1.00 . A B . 3 TRP HE3 1 1 20 15719 1 1 3 TRP HH2 H 8.218 4.029 -0.085 1.00 . A B . 3 TRP HH2 1 1 20 15720 1 1 3 TRP HZ2 H 10.622 4.485 0.089 1.00 . A B . 3 TRP HZ2 1 1 20 15721 1 1 3 TRP HZ3 H 7.403 1.746 -0.634 1.00 . A B . 3 TRP HZ3 1 1 20 15722 1 1 3 TRP N N 12.354 -0.652 -3.559 1.00 . A B . 3 TRP N 1 1 20 15723 1 1 3 TRP NE1 N 12.505 2.390 -0.345 1.00 . A B . 3 TRP NE1 1 1 20 15724 1 1 3 TRP O O 9.240 -2.045 -2.377 1.00 . A B . 3 TRP O 1 1 20 15725 1 1 4 MET C C 7.624 -1.168 -4.785 1.00 . A B . 4 MET C 1 1 20 15726 1 1 4 MET CA C 8.295 -0.023 -4.082 1.00 . A B . 4 MET CA 1 1 20 15727 1 1 4 MET CB C 8.132 1.248 -4.900 1.00 . A B . 4 MET CB 1 1 20 15728 1 1 4 MET CE C 9.323 3.638 -6.604 1.00 . A B . 4 MET CE 1 1 20 15729 1 1 4 MET CG C 8.484 2.532 -4.177 1.00 . A B . 4 MET CG 1 1 20 15730 1 1 4 MET H H 10.403 0.216 -4.201 1.00 . A B . 4 MET H 1 1 20 15731 1 1 4 MET HA H 7.795 0.114 -3.134 1.00 . A B . 4 MET HA 1 1 20 15732 1 1 4 MET HB2 H 8.763 1.173 -5.773 1.00 . A B . 4 MET HB2 1 1 20 15733 1 1 4 MET HB3 H 7.103 1.309 -5.221 1.00 . A B . 4 MET HB3 1 1 20 15734 1 1 4 MET HE1 H 8.955 2.776 -7.139 1.00 . A B . 4 MET HE1 1 1 20 15735 1 1 4 MET HE2 H 10.326 3.448 -6.253 1.00 . A B . 4 MET HE2 1 1 20 15736 1 1 4 MET HE3 H 9.334 4.488 -7.271 1.00 . A B . 4 MET HE3 1 1 20 15737 1 1 4 MET HG2 H 7.861 2.618 -3.298 1.00 . A B . 4 MET HG2 1 1 20 15738 1 1 4 MET HG3 H 9.520 2.487 -3.877 1.00 . A B . 4 MET HG3 1 1 20 15739 1 1 4 MET N N 9.700 -0.323 -3.777 1.00 . A B . 4 MET N 1 1 20 15740 1 1 4 MET O O 6.390 -1.311 -4.731 1.00 . A B . 4 MET O 1 1 20 15741 1 1 4 MET SD S 8.240 3.996 -5.208 1.00 . A B . 4 MET SD 1 1 20 15742 1 1 5 GLU C C 7.789 -4.209 -4.956 1.00 . A B . 5 GLU C 1 1 20 15743 1 1 5 GLU CA C 7.855 -3.166 -6.028 1.00 . A B . 5 GLU CA 1 1 20 15744 1 1 5 GLU CB C 8.596 -3.661 -7.246 1.00 . A B . 5 GLU CB 1 1 20 15745 1 1 5 GLU CD C 8.882 -3.389 -9.690 1.00 . A B . 5 GLU CD 1 1 20 15746 1 1 5 GLU CG C 8.501 -2.723 -8.414 1.00 . A B . 5 GLU CG 1 1 20 15747 1 1 5 GLU H H 9.349 -1.751 -5.578 1.00 . A B . 5 GLU H 1 1 20 15748 1 1 5 GLU HA H 6.836 -2.927 -6.297 1.00 . A B . 5 GLU HA 1 1 20 15749 1 1 5 GLU HB2 H 9.638 -3.789 -6.994 1.00 . A B . 5 GLU HB2 1 1 20 15750 1 1 5 GLU HB3 H 8.185 -4.615 -7.540 1.00 . A B . 5 GLU HB3 1 1 20 15751 1 1 5 GLU HG2 H 7.487 -2.361 -8.492 1.00 . A B . 5 GLU HG2 1 1 20 15752 1 1 5 GLU HG3 H 9.165 -1.887 -8.245 1.00 . A B . 5 GLU HG3 1 1 20 15753 1 1 5 GLU N N 8.400 -1.973 -5.469 1.00 . A B . 5 GLU N 1 1 20 15754 1 1 5 GLU O O 8.730 -4.979 -4.734 1.00 . A B . 5 GLU O 1 1 20 15755 1 1 5 GLU OE1 O 8.036 -4.094 -10.264 1.00 . A B . 5 GLU OE1 1 1 20 15756 1 1 5 GLU OE2 O 10.030 -3.224 -10.155 1.00 . A B . 5 GLU OE2 1 1 20 15757 1 1 6 GLU C C 5.015 -5.279 -3.159 1.00 . A B . 6 GLU C 1 1 20 15758 1 1 6 GLU CA C 6.480 -4.996 -3.146 1.00 . A B . 6 GLU CA 1 1 20 15759 1 1 6 GLU CB C 6.866 -4.294 -1.841 1.00 . A B . 6 GLU CB 1 1 20 15760 1 1 6 GLU CD C 7.375 -4.494 0.612 1.00 . A B . 6 GLU CD 1 1 20 15761 1 1 6 GLU CG C 6.867 -5.187 -0.615 1.00 . A B . 6 GLU CG 1 1 20 15762 1 1 6 GLU H H 6.054 -3.468 -4.452 1.00 . A B . 6 GLU H 1 1 20 15763 1 1 6 GLU HA H 7.045 -5.908 -3.250 1.00 . A B . 6 GLU HA 1 1 20 15764 1 1 6 GLU HB2 H 7.818 -3.797 -1.939 1.00 . A B . 6 GLU HB2 1 1 20 15765 1 1 6 GLU HB3 H 6.106 -3.546 -1.677 1.00 . A B . 6 GLU HB3 1 1 20 15766 1 1 6 GLU HG2 H 5.862 -5.532 -0.427 1.00 . A B . 6 GLU HG2 1 1 20 15767 1 1 6 GLU HG3 H 7.504 -6.033 -0.819 1.00 . A B . 6 GLU HG3 1 1 20 15768 1 1 6 GLU N N 6.730 -4.144 -4.234 1.00 . A B . 6 GLU N 1 1 20 15769 1 1 6 GLU O O 4.239 -4.507 -3.739 1.00 . A B . 6 GLU O 1 1 20 15770 1 1 6 GLU OE1 O 6.699 -3.576 1.114 1.00 . A B . 6 GLU OE1 1 1 20 15771 1 1 6 GLU OE2 O 8.451 -4.891 1.122 1.00 . A B . 6 GLU OE2 1 1 20 15772 1 1 7 VAL C C 3.035 -7.278 -1.031 1.00 . A B . 7 VAL C 1 1 20 15773 1 1 7 VAL CA C 3.296 -6.760 -2.436 1.00 . A B . 7 VAL CA 1 1 20 15774 1 1 7 VAL CB C 2.936 -7.816 -3.538 1.00 . A B . 7 VAL CB 1 1 20 15775 1 1 7 VAL CG1 C 3.825 -9.057 -3.480 1.00 . A B . 7 VAL CG1 1 1 20 15776 1 1 7 VAL CG2 C 1.463 -8.197 -3.468 1.00 . A B . 7 VAL CG2 1 1 20 15777 1 1 7 VAL H H 5.352 -6.792 -2.022 1.00 . A B . 7 VAL H 1 1 20 15778 1 1 7 VAL HA H 2.681 -5.881 -2.571 1.00 . A B . 7 VAL HA 1 1 20 15779 1 1 7 VAL HB H 3.112 -7.347 -4.496 1.00 . A B . 7 VAL HB 1 1 20 15780 1 1 7 VAL HG11 H 3.719 -9.528 -2.514 1.00 . A B . 7 VAL HG11 1 1 20 15781 1 1 7 VAL HG12 H 4.856 -8.769 -3.628 1.00 . A B . 7 VAL HG12 1 1 20 15782 1 1 7 VAL HG13 H 3.530 -9.750 -4.253 1.00 . A B . 7 VAL HG13 1 1 20 15783 1 1 7 VAL HG21 H 0.856 -7.312 -3.593 1.00 . A B . 7 VAL HG21 1 1 20 15784 1 1 7 VAL HG22 H 1.248 -8.645 -2.509 1.00 . A B . 7 VAL HG22 1 1 20 15785 1 1 7 VAL HG23 H 1.239 -8.897 -4.258 1.00 . A B . 7 VAL HG23 1 1 20 15786 1 1 7 VAL N N 4.652 -6.319 -2.517 1.00 . A B . 7 VAL N 1 1 20 15787 1 1 7 VAL O O 3.708 -8.196 -0.543 1.00 . A B . 7 VAL O 1 1 20 15788 1 1 8 ILE C C 0.347 -7.275 1.128 1.00 . A B . 8 ILE C 1 1 20 15789 1 1 8 ILE CA C 1.813 -6.981 1.001 1.00 . A B . 8 ILE CA 1 1 20 15790 1 1 8 ILE CB C 2.193 -5.820 1.957 1.00 . A B . 8 ILE CB 1 1 20 15791 1 1 8 ILE CD1 C 1.824 -3.306 2.345 1.00 . A B . 8 ILE CD1 1 1 20 15792 1 1 8 ILE CG1 C 1.452 -4.536 1.547 1.00 . A B . 8 ILE CG1 1 1 20 15793 1 1 8 ILE CG2 C 3.708 -5.613 1.992 1.00 . A B . 8 ILE CG2 1 1 20 15794 1 1 8 ILE H H 1.569 -5.989 -0.831 1.00 . A B . 8 ILE H 1 1 20 15795 1 1 8 ILE HA H 2.378 -7.859 1.278 1.00 . A B . 8 ILE HA 1 1 20 15796 1 1 8 ILE HB H 1.880 -6.100 2.952 1.00 . A B . 8 ILE HB 1 1 20 15797 1 1 8 ILE HD11 H 2.874 -3.097 2.213 1.00 . A B . 8 ILE HD11 1 1 20 15798 1 1 8 ILE HD12 H 1.621 -3.477 3.392 1.00 . A B . 8 ILE HD12 1 1 20 15799 1 1 8 ILE HD13 H 1.243 -2.464 2.000 1.00 . A B . 8 ILE HD13 1 1 20 15800 1 1 8 ILE HG12 H 1.655 -4.354 0.505 1.00 . A B . 8 ILE HG12 1 1 20 15801 1 1 8 ILE HG13 H 0.391 -4.705 1.660 1.00 . A B . 8 ILE HG13 1 1 20 15802 1 1 8 ILE HG21 H 4.188 -6.516 2.341 1.00 . A B . 8 ILE HG21 1 1 20 15803 1 1 8 ILE HG22 H 3.945 -4.797 2.658 1.00 . A B . 8 ILE HG22 1 1 20 15804 1 1 8 ILE HG23 H 4.060 -5.379 0.998 1.00 . A B . 8 ILE HG23 1 1 20 15805 1 1 8 ILE N N 2.117 -6.665 -0.371 1.00 . A B . 8 ILE N 1 1 20 15806 1 1 8 ILE O O -0.402 -7.091 0.178 1.00 . A B . 8 ILE O 1 1 20 15807 1 1 9 LYS C C -1.789 -7.440 3.885 1.00 . A B . 9 LYS C 1 1 20 15808 1 1 9 LYS CA C -1.418 -8.043 2.544 1.00 . A B . 9 LYS CA 1 1 20 15809 1 1 9 LYS CB C -1.629 -9.564 2.553 1.00 . A B . 9 LYS CB 1 1 20 15810 1 1 9 LYS CD C -3.199 -11.499 2.814 1.00 . A B . 9 LYS CD 1 1 20 15811 1 1 9 LYS CE C -4.643 -11.925 2.992 1.00 . A B . 9 LYS CE 1 1 20 15812 1 1 9 LYS CG C -3.071 -9.992 2.770 1.00 . A B . 9 LYS CG 1 1 20 15813 1 1 9 LYS H H 0.614 -7.816 2.990 1.00 . A B . 9 LYS H 1 1 20 15814 1 1 9 LYS HA H -2.021 -7.600 1.764 1.00 . A B . 9 LYS HA 1 1 20 15815 1 1 9 LYS HB2 H -1.298 -9.967 1.607 1.00 . A B . 9 LYS HB2 1 1 20 15816 1 1 9 LYS HB3 H -1.026 -9.989 3.342 1.00 . A B . 9 LYS HB3 1 1 20 15817 1 1 9 LYS HD2 H -2.824 -11.911 1.889 1.00 . A B . 9 LYS HD2 1 1 20 15818 1 1 9 LYS HD3 H -2.618 -11.877 3.640 1.00 . A B . 9 LYS HD3 1 1 20 15819 1 1 9 LYS HE2 H -5.216 -11.563 2.152 1.00 . A B . 9 LYS HE2 1 1 20 15820 1 1 9 LYS HE3 H -4.697 -13.003 3.013 1.00 . A B . 9 LYS HE3 1 1 20 15821 1 1 9 LYS HG2 H -3.420 -9.584 3.708 1.00 . A B . 9 LYS HG2 1 1 20 15822 1 1 9 LYS HG3 H -3.676 -9.608 1.963 1.00 . A B . 9 LYS HG3 1 1 20 15823 1 1 9 LYS HZ1 H -5.348 -10.355 4.188 1.00 . A B . 9 LYS HZ1 1 1 20 15824 1 1 9 LYS HZ2 H -4.695 -11.637 5.080 1.00 . A B . 9 LYS HZ2 1 1 20 15825 1 1 9 LYS HZ3 H -6.199 -11.773 4.350 1.00 . A B . 9 LYS HZ3 1 1 20 15826 1 1 9 LYS N N -0.046 -7.722 2.272 1.00 . A B . 9 LYS N 1 1 20 15827 1 1 9 LYS NZ N -5.240 -11.388 4.231 1.00 . A B . 9 LYS NZ 1 1 20 15828 1 1 9 LYS O O -1.527 -8.029 4.940 1.00 . A B . 9 LYS O 1 1 20 15829 1 1 10 LEU C C -4.099 -5.100 4.982 1.00 . A B . 10 LEU C 1 1 20 15830 1 1 10 LEU CA C -2.669 -5.506 5.050 1.00 . A B . 10 LEU CA 1 1 20 15831 1 1 10 LEU CB C -1.793 -4.251 5.251 1.00 . A B . 10 LEU CB 1 1 20 15832 1 1 10 LEU CD1 C 0.459 -5.426 5.300 1.00 . A B . 10 LEU CD1 1 1 20 15833 1 1 10 LEU CD2 C 0.278 -3.102 6.076 1.00 . A B . 10 LEU CD2 1 1 20 15834 1 1 10 LEU CG C -0.445 -4.422 5.980 1.00 . A B . 10 LEU CG 1 1 20 15835 1 1 10 LEU H H -2.482 -5.825 2.979 1.00 . A B . 10 LEU H 1 1 20 15836 1 1 10 LEU HA H -2.554 -6.146 5.912 1.00 . A B . 10 LEU HA 1 1 20 15837 1 1 10 LEU HB2 H -1.614 -3.816 4.283 1.00 . A B . 10 LEU HB2 1 1 20 15838 1 1 10 LEU HB3 H -2.384 -3.542 5.814 1.00 . A B . 10 LEU HB3 1 1 20 15839 1 1 10 LEU HD11 H -0.023 -6.393 5.296 1.00 . A B . 10 LEU HD11 1 1 20 15840 1 1 10 LEU HD12 H 1.401 -5.487 5.825 1.00 . A B . 10 LEU HD12 1 1 20 15841 1 1 10 LEU HD13 H 0.628 -5.111 4.282 1.00 . A B . 10 LEU HD13 1 1 20 15842 1 1 10 LEU HD21 H 0.559 -2.790 5.082 1.00 . A B . 10 LEU HD21 1 1 20 15843 1 1 10 LEU HD22 H 1.171 -3.220 6.670 1.00 . A B . 10 LEU HD22 1 1 20 15844 1 1 10 LEU HD23 H -0.361 -2.347 6.509 1.00 . A B . 10 LEU HD23 1 1 20 15845 1 1 10 LEU HG H -0.686 -4.741 6.983 1.00 . A B . 10 LEU HG 1 1 20 15846 1 1 10 LEU N N -2.300 -6.243 3.850 1.00 . A B . 10 LEU N 1 1 20 15847 1 1 10 LEU O O -4.754 -5.288 3.964 1.00 . A B . 10 LEU O 1 1 20 15848 1 1 11 CYS C C -6.093 -2.806 6.895 1.00 . A B . 11 CYS C 1 1 20 15849 1 1 11 CYS CA C -5.963 -4.088 6.085 1.00 . A B . 11 CYS CA 1 1 20 15850 1 1 11 CYS CB C -6.870 -5.140 6.725 1.00 . A B . 11 CYS CB 1 1 20 15851 1 1 11 CYS H H -3.964 -4.361 6.793 1.00 . A B . 11 CYS H 1 1 20 15852 1 1 11 CYS HA H -6.294 -3.909 5.074 1.00 . A B . 11 CYS HA 1 1 20 15853 1 1 11 CYS HB2 H -6.635 -5.157 7.773 1.00 . A B . 11 CYS HB2 1 1 20 15854 1 1 11 CYS HB3 H -7.881 -4.781 6.609 1.00 . A B . 11 CYS HB3 1 1 20 15855 1 1 11 CYS N N -4.577 -4.519 6.040 1.00 . A B . 11 CYS N 1 1 20 15856 1 1 11 CYS O O -5.210 -2.475 7.692 1.00 . A B . 11 CYS O 1 1 20 15857 1 1 11 CYS SG S -6.785 -6.846 6.045 1.00 . A B . 11 CYS SG 1 1 20 15858 1 1 12 GLY C C -6.471 0.113 7.650 1.00 . A B . 12 GLY C 1 1 20 15859 1 1 12 GLY CA C -7.558 -0.885 7.372 1.00 . A B . 12 GLY CA 1 1 20 15860 1 1 12 GLY H H -7.735 -2.389 5.894 1.00 . A B . 12 GLY H 1 1 20 15861 1 1 12 GLY HA2 H -8.345 -0.358 6.861 1.00 . A B . 12 GLY HA2 1 1 20 15862 1 1 12 GLY HA3 H -7.956 -1.213 8.319 1.00 . A B . 12 GLY HA3 1 1 20 15863 1 1 12 GLY N N -7.168 -2.080 6.634 1.00 . A B . 12 GLY N 1 1 20 15864 1 1 12 GLY O O -5.883 0.723 6.744 1.00 . A B . 12 GLY O 1 1 20 15865 1 1 13 ARG C C -3.833 0.818 9.069 1.00 . A B . 13 ARG C 1 1 20 15866 1 1 13 ARG CA C -5.261 1.213 9.424 1.00 . A B . 13 ARG CA 1 1 20 15867 1 1 13 ARG CB C -5.459 1.347 10.923 1.00 . A B . 13 ARG CB 1 1 20 15868 1 1 13 ARG CD C -7.065 1.856 12.795 1.00 . A B . 13 ARG CD 1 1 20 15869 1 1 13 ARG CG C -6.818 1.932 11.303 1.00 . A B . 13 ARG CG 1 1 20 15870 1 1 13 ARG CZ C -5.340 1.935 14.580 1.00 . A B . 13 ARG CZ 1 1 20 15871 1 1 13 ARG H H -6.726 -0.310 9.513 1.00 . A B . 13 ARG H 1 1 20 15872 1 1 13 ARG HA H -5.464 2.170 8.966 1.00 . A B . 13 ARG HA 1 1 20 15873 1 1 13 ARG HB2 H -5.371 0.369 11.374 1.00 . A B . 13 ARG HB2 1 1 20 15874 1 1 13 ARG HB3 H -4.690 1.991 11.325 1.00 . A B . 13 ARG HB3 1 1 20 15875 1 1 13 ARG HD2 H -7.996 2.356 13.017 1.00 . A B . 13 ARG HD2 1 1 20 15876 1 1 13 ARG HD3 H -7.140 0.819 13.085 1.00 . A B . 13 ARG HD3 1 1 20 15877 1 1 13 ARG HE H -5.750 3.397 13.254 1.00 . A B . 13 ARG HE 1 1 20 15878 1 1 13 ARG HG2 H -6.846 2.969 11.001 1.00 . A B . 13 ARG HG2 1 1 20 15879 1 1 13 ARG HG3 H -7.592 1.385 10.784 1.00 . A B . 13 ARG HG3 1 1 20 15880 1 1 13 ARG HH11 H -6.377 0.159 14.582 1.00 . A B . 13 ARG HH11 1 1 20 15881 1 1 13 ARG HH12 H -5.155 0.240 15.747 1.00 . A B . 13 ARG HH12 1 1 20 15882 1 1 13 ARG HH21 H -4.116 3.524 14.848 1.00 . A B . 13 ARG HH21 1 1 20 15883 1 1 13 ARG HH22 H -3.840 2.239 15.927 1.00 . A B . 13 ARG HH22 1 1 20 15884 1 1 13 ARG N N -6.219 0.266 8.901 1.00 . A B . 13 ARG N 1 1 20 15885 1 1 13 ARG NE N -5.997 2.491 13.556 1.00 . A B . 13 ARG NE 1 1 20 15886 1 1 13 ARG NH1 N -5.648 0.704 15.003 1.00 . A B . 13 ARG NH1 1 1 20 15887 1 1 13 ARG NH2 N -4.372 2.605 15.160 1.00 . A B . 13 ARG NH2 1 1 20 15888 1 1 13 ARG O O -2.974 1.676 8.896 1.00 . A B . 13 ARG O 1 1 20 15889 1 1 14 GLU C C -2.039 -0.559 7.046 1.00 . A B . 14 GLU C 1 1 20 15890 1 1 14 GLU CA C -2.297 -0.963 8.484 1.00 . A B . 14 GLU CA 1 1 20 15891 1 1 14 GLU CB C -2.207 -2.476 8.650 1.00 . A B . 14 GLU CB 1 1 20 15892 1 1 14 GLU CD C -0.892 -2.399 10.763 1.00 . A B . 14 GLU CD 1 1 20 15893 1 1 14 GLU CG C -2.124 -2.937 10.085 1.00 . A B . 14 GLU CG 1 1 20 15894 1 1 14 GLU H H -4.319 -1.139 8.991 1.00 . A B . 14 GLU H 1 1 20 15895 1 1 14 GLU HA H -1.543 -0.487 9.097 1.00 . A B . 14 GLU HA 1 1 20 15896 1 1 14 GLU HB2 H -3.085 -2.922 8.206 1.00 . A B . 14 GLU HB2 1 1 20 15897 1 1 14 GLU HB3 H -1.335 -2.836 8.127 1.00 . A B . 14 GLU HB3 1 1 20 15898 1 1 14 GLU HG2 H -2.996 -2.587 10.618 1.00 . A B . 14 GLU HG2 1 1 20 15899 1 1 14 GLU HG3 H -2.090 -4.016 10.109 1.00 . A B . 14 GLU HG3 1 1 20 15900 1 1 14 GLU N N -3.599 -0.477 8.888 1.00 . A B . 14 GLU N 1 1 20 15901 1 1 14 GLU O O -0.916 -0.249 6.672 1.00 . A B . 14 GLU O 1 1 20 15902 1 1 14 GLU OE1 O 0.213 -2.621 10.262 1.00 . A B . 14 GLU OE1 1 1 20 15903 1 1 14 GLU OE2 O -1.009 -1.761 11.827 1.00 . A B . 14 GLU OE2 1 1 20 15904 1 1 15 LEU C C -2.566 1.382 4.862 1.00 . A B . 15 LEU C 1 1 20 15905 1 1 15 LEU CA C -3.010 -0.055 4.868 1.00 . A B . 15 LEU CA 1 1 20 15906 1 1 15 LEU CB C -4.360 -0.160 4.165 1.00 . A B . 15 LEU CB 1 1 20 15907 1 1 15 LEU CD1 C -6.326 -1.525 3.498 1.00 . A B . 15 LEU CD1 1 1 20 15908 1 1 15 LEU CD2 C -4.047 -2.294 2.961 1.00 . A B . 15 LEU CD2 1 1 20 15909 1 1 15 LEU CG C -4.890 -1.559 3.963 1.00 . A B . 15 LEU CG 1 1 20 15910 1 1 15 LEU H H -3.958 -0.827 6.627 1.00 . A B . 15 LEU H 1 1 20 15911 1 1 15 LEU HA H -2.282 -0.658 4.345 1.00 . A B . 15 LEU HA 1 1 20 15912 1 1 15 LEU HB2 H -5.083 0.392 4.749 1.00 . A B . 15 LEU HB2 1 1 20 15913 1 1 15 LEU HB3 H -4.275 0.312 3.198 1.00 . A B . 15 LEU HB3 1 1 20 15914 1 1 15 LEU HD11 H -6.658 -2.540 3.328 1.00 . A B . 15 LEU HD11 1 1 20 15915 1 1 15 LEU HD12 H -6.415 -0.940 2.596 1.00 . A B . 15 LEU HD12 1 1 20 15916 1 1 15 LEU HD13 H -6.930 -1.091 4.281 1.00 . A B . 15 LEU HD13 1 1 20 15917 1 1 15 LEU HD21 H -4.104 -1.808 1.999 1.00 . A B . 15 LEU HD21 1 1 20 15918 1 1 15 LEU HD22 H -4.438 -3.298 2.883 1.00 . A B . 15 LEU HD22 1 1 20 15919 1 1 15 LEU HD23 H -3.024 -2.333 3.303 1.00 . A B . 15 LEU HD23 1 1 20 15920 1 1 15 LEU HG H -4.847 -2.098 4.897 1.00 . A B . 15 LEU HG 1 1 20 15921 1 1 15 LEU N N -3.103 -0.523 6.253 1.00 . A B . 15 LEU N 1 1 20 15922 1 1 15 LEU O O -1.701 1.767 4.092 1.00 . A B . 15 LEU O 1 1 20 15923 1 1 16 VAL C C -1.288 3.646 6.373 1.00 . A B . 16 VAL C 1 1 20 15924 1 1 16 VAL CA C -2.749 3.551 5.942 1.00 . A B . 16 VAL CA 1 1 20 15925 1 1 16 VAL CB C -3.642 4.275 6.980 1.00 . A B . 16 VAL CB 1 1 20 15926 1 1 16 VAL CG1 C -3.304 5.755 7.049 1.00 . A B . 16 VAL CG1 1 1 20 15927 1 1 16 VAL CG2 C -5.114 4.078 6.662 1.00 . A B . 16 VAL CG2 1 1 20 15928 1 1 16 VAL H H -3.797 1.751 6.374 1.00 . A B . 16 VAL H 1 1 20 15929 1 1 16 VAL HA H -2.840 4.043 4.983 1.00 . A B . 16 VAL HA 1 1 20 15930 1 1 16 VAL HB H -3.443 3.839 7.949 1.00 . A B . 16 VAL HB 1 1 20 15931 1 1 16 VAL HG11 H -2.271 5.876 7.339 1.00 . A B . 16 VAL HG11 1 1 20 15932 1 1 16 VAL HG12 H -3.941 6.233 7.776 1.00 . A B . 16 VAL HG12 1 1 20 15933 1 1 16 VAL HG13 H -3.461 6.205 6.080 1.00 . A B . 16 VAL HG13 1 1 20 15934 1 1 16 VAL HG21 H -5.718 4.609 7.383 1.00 . A B . 16 VAL HG21 1 1 20 15935 1 1 16 VAL HG22 H -5.353 3.025 6.698 1.00 . A B . 16 VAL HG22 1 1 20 15936 1 1 16 VAL HG23 H -5.318 4.454 5.672 1.00 . A B . 16 VAL HG23 1 1 20 15937 1 1 16 VAL N N -3.116 2.150 5.789 1.00 . A B . 16 VAL N 1 1 20 15938 1 1 16 VAL O O -0.549 4.476 5.872 1.00 . A B . 16 VAL O 1 1 20 15939 1 1 17 ARG C C 1.457 2.440 6.573 1.00 . A B . 17 ARG C 1 1 20 15940 1 1 17 ARG CA C 0.507 2.700 7.730 1.00 . A B . 17 ARG CA 1 1 20 15941 1 1 17 ARG CB C 0.696 1.646 8.820 1.00 . A B . 17 ARG CB 1 1 20 15942 1 1 17 ARG CD C 0.330 0.937 11.184 1.00 . A B . 17 ARG CD 1 1 20 15943 1 1 17 ARG CG C 0.033 1.988 10.135 1.00 . A B . 17 ARG CG 1 1 20 15944 1 1 17 ARG CZ C 2.298 -0.148 12.268 1.00 . A B . 17 ARG CZ 1 1 20 15945 1 1 17 ARG H H -1.548 2.158 7.666 1.00 . A B . 17 ARG H 1 1 20 15946 1 1 17 ARG HA H 0.751 3.668 8.137 1.00 . A B . 17 ARG HA 1 1 20 15947 1 1 17 ARG HB2 H 0.254 0.727 8.464 1.00 . A B . 17 ARG HB2 1 1 20 15948 1 1 17 ARG HB3 H 1.742 1.463 8.999 1.00 . A B . 17 ARG HB3 1 1 20 15949 1 1 17 ARG HD2 H -0.207 1.180 12.087 1.00 . A B . 17 ARG HD2 1 1 20 15950 1 1 17 ARG HD3 H -0.008 -0.022 10.819 1.00 . A B . 17 ARG HD3 1 1 20 15951 1 1 17 ARG HE H 2.316 1.579 11.185 1.00 . A B . 17 ARG HE 1 1 20 15952 1 1 17 ARG HG2 H 0.398 2.944 10.480 1.00 . A B . 17 ARG HG2 1 1 20 15953 1 1 17 ARG HG3 H -1.035 2.042 9.984 1.00 . A B . 17 ARG HG3 1 1 20 15954 1 1 17 ARG HH11 H 0.606 -1.317 12.304 1.00 . A B . 17 ARG HH11 1 1 20 15955 1 1 17 ARG HH12 H 1.923 -1.961 13.168 1.00 . A B . 17 ARG HH12 1 1 20 15956 1 1 17 ARG HH21 H 4.175 0.670 12.355 1.00 . A B . 17 ARG HH21 1 1 20 15957 1 1 17 ARG HH22 H 4.011 -0.807 13.183 1.00 . A B . 17 ARG HH22 1 1 20 15958 1 1 17 ARG N N -0.880 2.766 7.278 1.00 . A B . 17 ARG N 1 1 20 15959 1 1 17 ARG NE N 1.762 0.836 11.517 1.00 . A B . 17 ARG NE 1 1 20 15960 1 1 17 ARG NH1 N 1.567 -1.210 12.605 1.00 . A B . 17 ARG NH1 1 1 20 15961 1 1 17 ARG NH2 N 3.578 -0.092 12.627 1.00 . A B . 17 ARG NH2 1 1 20 15962 1 1 17 ARG O O 2.497 3.078 6.468 1.00 . A B . 17 ARG O 1 1 20 15963 1 1 18 ALA C C 1.896 2.345 3.533 1.00 . A B . 18 ALA C 1 1 20 15964 1 1 18 ALA CA C 1.864 1.182 4.521 1.00 . A B . 18 ALA CA 1 1 20 15965 1 1 18 ALA CB C 1.298 -0.057 3.864 1.00 . A B . 18 ALA CB 1 1 20 15966 1 1 18 ALA H H 0.224 1.074 5.889 1.00 . A B . 18 ALA H 1 1 20 15967 1 1 18 ALA HA H 2.872 0.973 4.849 1.00 . A B . 18 ALA HA 1 1 20 15968 1 1 18 ALA HB1 H 0.283 0.136 3.550 1.00 . A B . 18 ALA HB1 1 1 20 15969 1 1 18 ALA HB2 H 1.308 -0.873 4.571 1.00 . A B . 18 ALA HB2 1 1 20 15970 1 1 18 ALA HB3 H 1.897 -0.316 3.003 1.00 . A B . 18 ALA HB3 1 1 20 15971 1 1 18 ALA N N 1.074 1.531 5.702 1.00 . A B . 18 ALA N 1 1 20 15972 1 1 18 ALA O O 2.903 2.590 2.868 1.00 . A B . 18 ALA O 1 1 20 15973 1 1 19 GLN C C 1.588 5.329 3.155 1.00 . A B . 19 GLN C 1 1 20 15974 1 1 19 GLN CA C 0.661 4.236 2.637 1.00 . A B . 19 GLN CA 1 1 20 15975 1 1 19 GLN CB C -0.786 4.698 2.672 1.00 . A B . 19 GLN CB 1 1 20 15976 1 1 19 GLN CD C -3.143 4.250 1.869 1.00 . A B . 19 GLN CD 1 1 20 15977 1 1 19 GLN CG C -1.696 3.855 1.813 1.00 . A B . 19 GLN CG 1 1 20 15978 1 1 19 GLN H H 0.009 2.727 3.958 1.00 . A B . 19 GLN H 1 1 20 15979 1 1 19 GLN HA H 0.922 3.965 1.621 1.00 . A B . 19 GLN HA 1 1 20 15980 1 1 19 GLN HB2 H -1.096 4.555 3.698 1.00 . A B . 19 GLN HB2 1 1 20 15981 1 1 19 GLN HB3 H -0.888 5.746 2.458 1.00 . A B . 19 GLN HB3 1 1 20 15982 1 1 19 GLN HE21 H -3.430 3.483 0.077 1.00 . A B . 19 GLN HE21 1 1 20 15983 1 1 19 GLN HE22 H -4.820 4.168 0.838 1.00 . A B . 19 GLN HE22 1 1 20 15984 1 1 19 GLN HG2 H -1.373 3.997 0.794 1.00 . A B . 19 GLN HG2 1 1 20 15985 1 1 19 GLN HG3 H -1.592 2.819 2.098 1.00 . A B . 19 GLN HG3 1 1 20 15986 1 1 19 GLN N N 0.790 3.043 3.451 1.00 . A B . 19 GLN N 1 1 20 15987 1 1 19 GLN NE2 N -3.866 3.944 0.823 1.00 . A B . 19 GLN NE2 1 1 20 15988 1 1 19 GLN O O 2.384 5.884 2.416 1.00 . A B . 19 GLN O 1 1 20 15989 1 1 19 GLN OE1 O -3.618 4.788 2.853 1.00 . A B . 19 GLN OE1 1 1 20 15990 1 1 20 ILE C C 3.837 6.145 4.901 1.00 . A B . 20 ILE C 1 1 20 15991 1 1 20 ILE CA C 2.365 6.572 5.095 1.00 . A B . 20 ILE CA 1 1 20 15992 1 1 20 ILE CB C 2.020 6.684 6.621 1.00 . A B . 20 ILE CB 1 1 20 15993 1 1 20 ILE CD1 C 0.327 8.587 6.209 1.00 . A B . 20 ILE CD1 1 1 20 15994 1 1 20 ILE CG1 C 0.588 7.222 6.826 1.00 . A B . 20 ILE CG1 1 1 20 15995 1 1 20 ILE CG2 C 3.029 7.537 7.384 1.00 . A B . 20 ILE CG2 1 1 20 15996 1 1 20 ILE H H 0.732 5.197 4.911 1.00 . A B . 20 ILE H 1 1 20 15997 1 1 20 ILE HA H 2.230 7.536 4.628 1.00 . A B . 20 ILE HA 1 1 20 15998 1 1 20 ILE HB H 2.067 5.686 7.033 1.00 . A B . 20 ILE HB 1 1 20 15999 1 1 20 ILE HD11 H -0.687 8.888 6.427 1.00 . A B . 20 ILE HD11 1 1 20 16000 1 1 20 ILE HD12 H 0.466 8.538 5.139 1.00 . A B . 20 ILE HD12 1 1 20 16001 1 1 20 ILE HD13 H 1.015 9.308 6.628 1.00 . A B . 20 ILE HD13 1 1 20 16002 1 1 20 ILE HG12 H -0.112 6.529 6.384 1.00 . A B . 20 ILE HG12 1 1 20 16003 1 1 20 ILE HG13 H 0.389 7.290 7.886 1.00 . A B . 20 ILE HG13 1 1 20 16004 1 1 20 ILE HG21 H 2.751 7.580 8.427 1.00 . A B . 20 ILE HG21 1 1 20 16005 1 1 20 ILE HG22 H 3.032 8.535 6.973 1.00 . A B . 20 ILE HG22 1 1 20 16006 1 1 20 ILE HG23 H 4.012 7.101 7.290 1.00 . A B . 20 ILE HG23 1 1 20 16007 1 1 20 ILE N N 1.477 5.620 4.424 1.00 . A B . 20 ILE N 1 1 20 16008 1 1 20 ILE O O 4.714 6.973 4.621 1.00 . A B . 20 ILE O 1 1 20 16009 1 1 21 ALA C C 5.958 4.520 3.411 1.00 . A B . 21 ALA C 1 1 20 16010 1 1 21 ALA CA C 5.392 4.262 4.798 1.00 . A B . 21 ALA CA 1 1 20 16011 1 1 21 ALA CB C 5.357 2.766 5.059 1.00 . A B . 21 ALA CB 1 1 20 16012 1 1 21 ALA H H 3.313 4.249 5.162 1.00 . A B . 21 ALA H 1 1 20 16013 1 1 21 ALA HA H 6.047 4.710 5.531 1.00 . A B . 21 ALA HA 1 1 20 16014 1 1 21 ALA HB1 H 4.950 2.581 6.042 1.00 . A B . 21 ALA HB1 1 1 20 16015 1 1 21 ALA HB2 H 6.354 2.357 4.992 1.00 . A B . 21 ALA HB2 1 1 20 16016 1 1 21 ALA HB3 H 4.729 2.294 4.319 1.00 . A B . 21 ALA HB3 1 1 20 16017 1 1 21 ALA N N 4.070 4.844 4.969 1.00 . A B . 21 ALA N 1 1 20 16018 1 1 21 ALA O O 7.167 4.667 3.254 1.00 . A B . 21 ALA O 1 1 20 16019 1 1 22 ILE C C 5.764 6.282 0.785 1.00 . A B . 22 ILE C 1 1 20 16020 1 1 22 ILE CA C 5.539 4.778 1.051 1.00 . A B . 22 ILE CA 1 1 20 16021 1 1 22 ILE CB C 4.526 4.120 0.028 1.00 . A B . 22 ILE CB 1 1 20 16022 1 1 22 ILE CD1 C 5.826 4.757 -2.153 1.00 . A B . 22 ILE CD1 1 1 20 16023 1 1 22 ILE CG1 C 5.213 3.672 -1.282 1.00 . A B . 22 ILE CG1 1 1 20 16024 1 1 22 ILE CG2 C 3.329 5.002 -0.276 1.00 . A B . 22 ILE CG2 1 1 20 16025 1 1 22 ILE H H 4.136 4.501 2.607 1.00 . A B . 22 ILE H 1 1 20 16026 1 1 22 ILE HA H 6.496 4.285 0.970 1.00 . A B . 22 ILE HA 1 1 20 16027 1 1 22 ILE HB H 4.117 3.244 0.510 1.00 . A B . 22 ILE HB 1 1 20 16028 1 1 22 ILE HD11 H 6.261 4.311 -3.035 1.00 . A B . 22 ILE HD11 1 1 20 16029 1 1 22 ILE HD12 H 6.591 5.276 -1.594 1.00 . A B . 22 ILE HD12 1 1 20 16030 1 1 22 ILE HD13 H 5.058 5.458 -2.444 1.00 . A B . 22 ILE HD13 1 1 20 16031 1 1 22 ILE HG12 H 6.019 3.017 -1.001 1.00 . A B . 22 ILE HG12 1 1 20 16032 1 1 22 ILE HG13 H 4.490 3.124 -1.867 1.00 . A B . 22 ILE HG13 1 1 20 16033 1 1 22 ILE HG21 H 2.866 5.308 0.650 1.00 . A B . 22 ILE HG21 1 1 20 16034 1 1 22 ILE HG22 H 2.614 4.414 -0.831 1.00 . A B . 22 ILE HG22 1 1 20 16035 1 1 22 ILE HG23 H 3.636 5.867 -0.845 1.00 . A B . 22 ILE HG23 1 1 20 16036 1 1 22 ILE N N 5.096 4.588 2.417 1.00 . A B . 22 ILE N 1 1 20 16037 1 1 22 ILE O O 6.652 6.666 0.034 1.00 . A B . 22 ILE O 1 1 20 16038 1 1 23 CYS C C 6.415 9.074 2.002 1.00 . A B . 23 CYS C 1 1 20 16039 1 1 23 CYS CA C 5.163 8.561 1.317 1.00 . A B . 23 CYS CA 1 1 20 16040 1 1 23 CYS CB C 3.938 9.303 1.822 1.00 . A B . 23 CYS CB 1 1 20 16041 1 1 23 CYS H H 4.333 6.727 2.058 1.00 . A B . 23 CYS H 1 1 20 16042 1 1 23 CYS HA H 5.268 8.751 0.258 1.00 . A B . 23 CYS HA 1 1 20 16043 1 1 23 CYS HB2 H 3.533 8.746 2.655 1.00 . A B . 23 CYS HB2 1 1 20 16044 1 1 23 CYS HB3 H 4.272 10.266 2.170 1.00 . A B . 23 CYS HB3 1 1 20 16045 1 1 23 CYS N N 5.016 7.114 1.472 1.00 . A B . 23 CYS N 1 1 20 16046 1 1 23 CYS O O 6.942 10.139 1.656 1.00 . A B . 23 CYS O 1 1 20 16047 1 1 23 CYS SG S 2.606 9.508 0.576 1.00 . A B . 23 CYS SG 1 1 20 16048 1 1 24 GLY C C 9.141 7.712 2.855 1.00 . A B . 24 GLY C 1 1 20 16049 1 1 24 GLY CA C 8.152 8.609 3.517 1.00 . A B . 24 GLY CA 1 1 20 16050 1 1 24 GLY H H 6.359 7.579 3.294 1.00 . A B . 24 GLY H 1 1 20 16051 1 1 24 GLY HA2 H 8.410 9.642 3.336 1.00 . A B . 24 GLY HA2 1 1 20 16052 1 1 24 GLY HA3 H 8.151 8.405 4.578 1.00 . A B . 24 GLY HA3 1 1 20 16053 1 1 24 GLY N N 6.888 8.330 2.958 1.00 . A B . 24 GLY N 1 1 20 16054 1 1 24 GLY O O 9.570 7.972 1.725 1.00 . A B . 24 GLY O 1 1 20 16055 1 1 25 MET C C 10.515 4.526 4.063 1.00 . A B . 25 MET C 1 1 20 16056 1 1 25 MET CA C 10.364 5.594 3.014 1.00 . A B . 25 MET CA 1 1 20 16057 1 1 25 MET CB C 11.759 6.149 2.617 1.00 . A B . 25 MET CB 1 1 20 16058 1 1 25 MET CE C 14.857 8.028 4.685 1.00 . A B . 25 MET CE 1 1 20 16059 1 1 25 MET CG C 12.572 6.785 3.741 1.00 . A B . 25 MET CG 1 1 20 16060 1 1 25 MET H H 9.006 6.536 4.391 1.00 . A B . 25 MET H 1 1 20 16061 1 1 25 MET HA H 9.890 5.151 2.150 1.00 . A B . 25 MET HA 1 1 20 16062 1 1 25 MET HB2 H 12.342 5.339 2.205 1.00 . A B . 25 MET HB2 1 1 20 16063 1 1 25 MET HB3 H 11.607 6.888 1.844 1.00 . A B . 25 MET HB3 1 1 20 16064 1 1 25 MET HE1 H 14.924 7.233 5.412 1.00 . A B . 25 MET HE1 1 1 20 16065 1 1 25 MET HE2 H 14.215 8.810 5.064 1.00 . A B . 25 MET HE2 1 1 20 16066 1 1 25 MET HE3 H 15.842 8.428 4.497 1.00 . A B . 25 MET HE3 1 1 20 16067 1 1 25 MET HG2 H 12.014 7.616 4.146 1.00 . A B . 25 MET HG2 1 1 20 16068 1 1 25 MET HG3 H 12.733 6.047 4.514 1.00 . A B . 25 MET HG3 1 1 20 16069 1 1 25 MET N N 9.452 6.641 3.522 1.00 . A B . 25 MET N 1 1 20 16070 1 1 25 MET O O 11.494 3.824 4.100 1.00 . A B . 25 MET O 1 1 20 16071 1 1 25 MET SD S 14.177 7.382 3.162 1.00 . A B . 25 MET SD 1 1 20 16072 1 1 26 SER C C 9.549 1.994 5.732 1.00 . A B . 26 SER C 1 1 20 16073 1 1 26 SER CA C 9.503 3.500 6.033 1.00 . A B . 26 SER CA 1 1 20 16074 1 1 26 SER CB C 8.305 3.858 6.870 1.00 . A B . 26 SER CB 1 1 20 16075 1 1 26 SER H H 8.612 4.739 4.594 1.00 . A B . 26 SER H 1 1 20 16076 1 1 26 SER HA H 10.393 3.757 6.577 1.00 . A B . 26 SER HA 1 1 20 16077 1 1 26 SER HB2 H 7.445 3.300 6.535 1.00 . A B . 26 SER HB2 1 1 20 16078 1 1 26 SER HB3 H 8.506 3.638 7.907 1.00 . A B . 26 SER HB3 1 1 20 16079 1 1 26 SER HG H 7.757 5.600 7.593 1.00 . A B . 26 SER HG 1 1 20 16080 1 1 26 SER N N 9.472 4.329 4.830 1.00 . A B . 26 SER N 1 1 20 16081 1 1 26 SER O O 9.510 1.157 6.629 1.00 . A B . 26 SER O 1 1 20 16082 1 1 26 SER OG O 8.050 5.255 6.740 1.00 . A B . 26 SER OG 1 1 20 16083 1 1 27 THR C C 11.294 -0.002 3.983 1.00 . A B . 27 THR C 1 1 20 16084 1 1 27 THR CA C 9.791 0.304 4.040 1.00 . A B . 27 THR CA 1 1 20 16085 1 1 27 THR CB C 9.149 0.121 2.650 1.00 . A B . 27 THR CB 1 1 20 16086 1 1 27 THR CG2 C 9.191 -1.332 2.189 1.00 . A B . 27 THR CG2 1 1 20 16087 1 1 27 THR H H 9.602 2.427 3.857 1.00 . A B . 27 THR H 1 1 20 16088 1 1 27 THR HA H 9.323 -0.338 4.762 1.00 . A B . 27 THR HA 1 1 20 16089 1 1 27 THR HB H 9.712 0.738 1.964 1.00 . A B . 27 THR HB 1 1 20 16090 1 1 27 THR HG1 H 7.484 0.516 3.614 1.00 . A B . 27 THR HG1 1 1 20 16091 1 1 27 THR HG21 H 8.742 -1.413 1.210 1.00 . A B . 27 THR HG21 1 1 20 16092 1 1 27 THR HG22 H 8.646 -1.946 2.888 1.00 . A B . 27 THR HG22 1 1 20 16093 1 1 27 THR HG23 H 10.219 -1.664 2.143 1.00 . A B . 27 THR HG23 1 1 20 16094 1 1 27 THR N N 9.631 1.674 4.482 1.00 . A B . 27 THR N 1 1 20 16095 1 1 27 THR O O 11.745 -1.153 4.006 1.00 . A B . 27 THR O 1 1 20 16096 1 1 27 THR OG1 O 7.771 0.562 2.692 1.00 . A B . 27 THR OG1 1 1 20 16097 1 1 28 TRP C C 14.013 1.621 5.183 1.00 . A B . 28 TRP C 1 1 20 16098 1 1 28 TRP CA C 13.443 1.061 3.882 1.00 . A B . 28 TRP CA 1 1 20 16099 1 1 28 TRP CB C 13.810 1.956 2.695 1.00 . A B . 28 TRP CB 1 1 20 16100 1 1 28 TRP CD1 C 15.949 1.153 1.563 1.00 . A B . 28 TRP CD1 1 1 20 16101 1 1 28 TRP CD2 C 16.180 3.048 2.726 1.00 . A B . 28 TRP CD2 1 1 20 16102 1 1 28 TRP CE2 C 17.418 2.722 2.154 1.00 . A B . 28 TRP CE2 1 1 20 16103 1 1 28 TRP CE3 C 16.079 4.202 3.502 1.00 . A B . 28 TRP CE3 1 1 20 16104 1 1 28 TRP CG C 15.257 2.025 2.345 1.00 . A B . 28 TRP CG 1 1 20 16105 1 1 28 TRP CH2 C 18.420 4.634 3.091 1.00 . A B . 28 TRP CH2 1 1 20 16106 1 1 28 TRP CZ2 C 18.549 3.510 2.329 1.00 . A B . 28 TRP CZ2 1 1 20 16107 1 1 28 TRP CZ3 C 17.199 4.982 3.675 1.00 . A B . 28 TRP CZ3 1 1 20 16108 1 1 28 TRP H H 11.538 1.895 4.098 1.00 . A B . 28 TRP H 1 1 20 16109 1 1 28 TRP HA H 13.808 0.062 3.703 1.00 . A B . 28 TRP HA 1 1 20 16110 1 1 28 TRP HB2 H 13.289 1.601 1.818 1.00 . A B . 28 TRP HB2 1 1 20 16111 1 1 28 TRP HB3 H 13.469 2.959 2.910 1.00 . A B . 28 TRP HB3 1 1 20 16112 1 1 28 TRP HD1 H 15.519 0.272 1.111 1.00 . A B . 28 TRP HD1 1 1 20 16113 1 1 28 TRP HE1 H 17.949 1.102 0.936 1.00 . A B . 28 TRP HE1 1 1 20 16114 1 1 28 TRP HE3 H 15.143 4.488 3.959 1.00 . A B . 28 TRP HE3 1 1 20 16115 1 1 28 TRP HH2 H 19.273 5.275 3.255 1.00 . A B . 28 TRP HH2 1 1 20 16116 1 1 28 TRP HZ2 H 19.498 3.253 1.885 1.00 . A B . 28 TRP HZ2 1 1 20 16117 1 1 28 TRP HZ3 H 17.137 5.880 4.272 1.00 . A B . 28 TRP HZ3 1 1 20 16118 1 1 28 TRP N N 12.019 1.048 3.985 1.00 . A B . 28 TRP N 1 1 20 16119 1 1 28 TRP NE1 N 17.249 1.565 1.446 1.00 . A B . 28 TRP NE1 1 1 20 16120 1 1 28 TRP O O 13.495 2.597 5.728 1.00 . A B . 28 TRP O 1 1 20 16121 1 1 29 SER C C 16.990 2.127 6.573 1.00 . A B . 29 SER C 1 1 20 16122 1 1 29 SER CA C 15.662 1.440 6.902 1.00 . A B . 29 SER CA 1 1 20 16123 1 1 29 SER CB C 15.863 0.264 7.859 1.00 . A B . 29 SER CB 1 1 20 16124 1 1 29 SER H H 15.387 0.207 5.233 1.00 . A B . 29 SER H 1 1 20 16125 1 1 29 SER HA H 15.001 2.161 7.359 1.00 . A B . 29 SER HA 1 1 20 16126 1 1 29 SER HB2 H 16.542 -0.449 7.414 1.00 . A B . 29 SER HB2 1 1 20 16127 1 1 29 SER HB3 H 16.275 0.624 8.789 1.00 . A B . 29 SER HB3 1 1 20 16128 1 1 29 SER HG H 14.448 -0.965 7.375 1.00 . A B . 29 SER HG 1 1 20 16129 1 1 29 SER N N 15.028 0.997 5.688 1.00 . A B . 29 SER N 1 1 20 16130 1 1 29 SER O O 17.935 1.486 6.074 1.00 . A B . 29 SER O 1 1 20 16131 1 1 29 SER OG O 14.619 -0.385 8.127 1.00 . A B . 29 SER OG 1 1 20 16132 1 1 30 NH2 HN1 H 16.252 3.854 7.156 1.00 . A B . 30 NH2 HN1 1 1 20 16133 1 1 30 NH2 HN2 H 17.848 3.910 6.489 1.00 . A B . 30 NH2 HN2 1 1 20 16134 1 1 30 NH2 N N 17.040 3.426 6.756 1.00 . A B . 30 NH2 N 1 1 20 16135 2 2 1 PCA C C -12.188 2.296 -6.876 1.00 . B A . 1 PCA C 1 1 20 16136 2 2 1 PCA CA C -13.334 3.289 -7.026 1.00 . B A . 1 PCA CA 1 1 20 16137 2 2 1 PCA CB C -13.570 4.006 -5.707 1.00 . B A . 1 PCA CB 1 1 20 16138 2 2 1 PCA CD C -15.398 2.594 -6.295 1.00 . B A . 1 PCA CD 1 1 20 16139 2 2 1 PCA CG C -14.971 3.621 -5.263 1.00 . B A . 1 PCA CG 1 1 20 16140 2 2 1 PCA HA H -13.079 3.992 -7.807 1.00 . B A . 1 PCA HA 1 1 20 16141 2 2 1 PCA HB2 H -12.840 3.673 -4.970 1.00 . B A . 1 PCA HB2 1 1 20 16142 2 2 1 PCA HB3 H -13.497 5.085 -5.838 1.00 . B A . 1 PCA HB3 1 1 20 16143 2 2 1 PCA HG2 H -14.944 3.191 -4.261 1.00 . B A . 1 PCA HG2 1 1 20 16144 2 2 1 PCA HG3 H -15.646 4.474 -5.310 1.00 . B A . 1 PCA HG3 1 1 20 16145 2 2 1 PCA N N -14.582 2.593 -7.349 1.00 . B A . 1 PCA N 1 1 20 16146 2 2 1 PCA O O -12.258 1.364 -6.054 1.00 . B A . 1 PCA O 1 1 20 16147 2 2 1 PCA OE O -16.362 1.850 -6.155 1.00 . B A . 1 PCA OE 1 1 20 16148 2 2 2 LEU C C -9.220 1.699 -6.343 1.00 . B A . 2 LEU C 1 1 20 16149 2 2 2 LEU CA C -9.980 1.593 -7.645 1.00 . B A . 2 LEU CA 1 1 20 16150 2 2 2 LEU CB C -9.008 1.849 -8.825 1.00 . B A . 2 LEU CB 1 1 20 16151 2 2 2 LEU CD1 C -10.059 0.153 -10.388 1.00 . B A . 2 LEU CD1 1 1 20 16152 2 2 2 LEU CD2 C -10.489 2.602 -10.755 1.00 . B A . 2 LEU CD2 1 1 20 16153 2 2 2 LEU CG C -9.499 1.559 -10.261 1.00 . B A . 2 LEU CG 1 1 20 16154 2 2 2 LEU H H -11.140 3.277 -8.240 1.00 . B A . 2 LEU H 1 1 20 16155 2 2 2 LEU HA H -10.362 0.586 -7.726 1.00 . B A . 2 LEU HA 1 1 20 16156 2 2 2 LEU HB2 H -8.719 2.888 -8.784 1.00 . B A . 2 LEU HB2 1 1 20 16157 2 2 2 LEU HB3 H -8.124 1.256 -8.647 1.00 . B A . 2 LEU HB3 1 1 20 16158 2 2 2 LEU HD11 H -10.366 -0.018 -11.410 1.00 . B A . 2 LEU HD11 1 1 20 16159 2 2 2 LEU HD12 H -10.912 0.043 -9.736 1.00 . B A . 2 LEU HD12 1 1 20 16160 2 2 2 LEU HD13 H -9.298 -0.563 -10.115 1.00 . B A . 2 LEU HD13 1 1 20 16161 2 2 2 LEU HD21 H -10.824 2.345 -11.749 1.00 . B A . 2 LEU HD21 1 1 20 16162 2 2 2 LEU HD22 H -10.011 3.569 -10.772 1.00 . B A . 2 LEU HD22 1 1 20 16163 2 2 2 LEU HD23 H -11.334 2.636 -10.083 1.00 . B A . 2 LEU HD23 1 1 20 16164 2 2 2 LEU HG H -8.631 1.589 -10.905 1.00 . B A . 2 LEU HG 1 1 20 16165 2 2 2 LEU N N -11.135 2.492 -7.650 1.00 . B A . 2 LEU N 1 1 20 16166 2 2 2 LEU O O -8.614 0.734 -5.891 1.00 . B A . 2 LEU O 1 1 20 16167 2 2 3 TYR C C -9.257 2.352 -3.349 1.00 . B A . 3 TYR C 1 1 20 16168 2 2 3 TYR CA C -8.589 3.111 -4.484 1.00 . B A . 3 TYR CA 1 1 20 16169 2 2 3 TYR CB C -8.567 4.589 -4.186 1.00 . B A . 3 TYR CB 1 1 20 16170 2 2 3 TYR CD1 C -6.488 5.060 -5.552 1.00 . B A . 3 TYR CD1 1 1 20 16171 2 2 3 TYR CD2 C -8.340 6.547 -5.749 1.00 . B A . 3 TYR CD2 1 1 20 16172 2 2 3 TYR CE1 C -5.776 5.817 -6.460 1.00 . B A . 3 TYR CE1 1 1 20 16173 2 2 3 TYR CE2 C -7.636 7.308 -6.654 1.00 . B A . 3 TYR CE2 1 1 20 16174 2 2 3 TYR CG C -7.786 5.412 -5.183 1.00 . B A . 3 TYR CG 1 1 20 16175 2 2 3 TYR CZ C -6.357 6.941 -7.008 1.00 . B A . 3 TYR CZ 1 1 20 16176 2 2 3 TYR H H -9.784 3.585 -6.165 1.00 . B A . 3 TYR H 1 1 20 16177 2 2 3 TYR HA H -7.574 2.757 -4.583 1.00 . B A . 3 TYR HA 1 1 20 16178 2 2 3 TYR HB2 H -9.591 4.929 -4.225 1.00 . B A . 3 TYR HB2 1 1 20 16179 2 2 3 TYR HB3 H -8.185 4.744 -3.193 1.00 . B A . 3 TYR HB3 1 1 20 16180 2 2 3 TYR HD1 H -6.038 4.177 -5.121 1.00 . B A . 3 TYR HD1 1 1 20 16181 2 2 3 TYR HD2 H -9.342 6.836 -5.473 1.00 . B A . 3 TYR HD2 1 1 20 16182 2 2 3 TYR HE1 H -4.772 5.525 -6.730 1.00 . B A . 3 TYR HE1 1 1 20 16183 2 2 3 TYR HE2 H -8.087 8.190 -7.085 1.00 . B A . 3 TYR HE2 1 1 20 16184 2 2 3 TYR HH H -5.252 7.127 -8.579 1.00 . B A . 3 TYR HH 1 1 20 16185 2 2 3 TYR N N -9.272 2.865 -5.741 1.00 . B A . 3 TYR N 1 1 20 16186 2 2 3 TYR O O -8.600 1.671 -2.561 1.00 . B A . 3 TYR O 1 1 20 16187 2 2 3 TYR OH O -5.660 7.704 -7.920 1.00 . B A . 3 TYR OH 1 1 20 16188 2 2 4 SER C C -11.205 0.221 -2.585 1.00 . B A . 4 SER C 1 1 20 16189 2 2 4 SER CA C -11.353 1.743 -2.313 1.00 . B A . 4 SER CA 1 1 20 16190 2 2 4 SER CB C -12.804 2.179 -2.459 1.00 . B A . 4 SER CB 1 1 20 16191 2 2 4 SER H H -10.971 3.192 -3.804 1.00 . B A . 4 SER H 1 1 20 16192 2 2 4 SER HA H -11.008 1.967 -1.315 1.00 . B A . 4 SER HA 1 1 20 16193 2 2 4 SER HB2 H -13.200 1.805 -3.391 1.00 . B A . 4 SER HB2 1 1 20 16194 2 2 4 SER HB3 H -13.384 1.792 -1.634 1.00 . B A . 4 SER HB3 1 1 20 16195 2 2 4 SER HG H -12.356 3.943 -1.725 1.00 . B A . 4 SER HG 1 1 20 16196 2 2 4 SER N N -10.550 2.496 -3.260 1.00 . B A . 4 SER N 1 1 20 16197 2 2 4 SER O O -11.113 -0.590 -1.656 1.00 . B A . 4 SER O 1 1 20 16198 2 2 4 SER OG O -12.893 3.601 -2.452 1.00 . B A . 4 SER OG 1 1 20 16199 2 2 5 ALA C C -9.584 -2.041 -3.828 1.00 . B A . 5 ALA C 1 1 20 16200 2 2 5 ALA CA C -10.939 -1.529 -4.291 1.00 . B A . 5 ALA CA 1 1 20 16201 2 2 5 ALA CB C -11.054 -1.655 -5.801 1.00 . B A . 5 ALA CB 1 1 20 16202 2 2 5 ALA H H -11.243 0.547 -4.566 1.00 . B A . 5 ALA H 1 1 20 16203 2 2 5 ALA HA H -11.704 -2.141 -3.834 1.00 . B A . 5 ALA HA 1 1 20 16204 2 2 5 ALA HB1 H -10.979 -2.695 -6.082 1.00 . B A . 5 ALA HB1 1 1 20 16205 2 2 5 ALA HB2 H -10.252 -1.101 -6.265 1.00 . B A . 5 ALA HB2 1 1 20 16206 2 2 5 ALA HB3 H -12.003 -1.258 -6.132 1.00 . B A . 5 ALA HB3 1 1 20 16207 2 2 5 ALA N N -11.136 -0.142 -3.874 1.00 . B A . 5 ALA N 1 1 20 16208 2 2 5 ALA O O -9.452 -3.202 -3.480 1.00 . B A . 5 ALA O 1 1 20 16209 2 2 6 LEU C C -7.255 -1.942 -1.923 1.00 . B A . 6 LEU C 1 1 20 16210 2 2 6 LEU CA C -7.237 -1.448 -3.362 1.00 . B A . 6 LEU CA 1 1 20 16211 2 2 6 LEU CB C -6.353 -0.185 -3.475 1.00 . B A . 6 LEU CB 1 1 20 16212 2 2 6 LEU CD1 C -4.085 -1.257 -3.497 1.00 . B A . 6 LEU CD1 1 1 20 16213 2 2 6 LEU CD2 C -4.304 1.132 -2.813 1.00 . B A . 6 LEU CD2 1 1 20 16214 2 2 6 LEU CG C -4.964 -0.242 -2.821 1.00 . B A . 6 LEU CG 1 1 20 16215 2 2 6 LEU H H -8.772 -0.249 -4.166 1.00 . B A . 6 LEU H 1 1 20 16216 2 2 6 LEU HA H -6.828 -2.223 -3.996 1.00 . B A . 6 LEU HA 1 1 20 16217 2 2 6 LEU HB2 H -6.215 0.031 -4.523 1.00 . B A . 6 LEU HB2 1 1 20 16218 2 2 6 LEU HB3 H -6.898 0.636 -3.033 1.00 . B A . 6 LEU HB3 1 1 20 16219 2 2 6 LEU HD11 H -3.979 -0.999 -4.540 1.00 . B A . 6 LEU HD11 1 1 20 16220 2 2 6 LEU HD12 H -4.524 -2.239 -3.406 1.00 . B A . 6 LEU HD12 1 1 20 16221 2 2 6 LEU HD13 H -3.112 -1.247 -3.027 1.00 . B A . 6 LEU HD13 1 1 20 16222 2 2 6 LEU HD21 H -4.190 1.484 -3.828 1.00 . B A . 6 LEU HD21 1 1 20 16223 2 2 6 LEU HD22 H -3.332 1.068 -2.347 1.00 . B A . 6 LEU HD22 1 1 20 16224 2 2 6 LEU HD23 H -4.917 1.827 -2.258 1.00 . B A . 6 LEU HD23 1 1 20 16225 2 2 6 LEU HG H -5.089 -0.555 -1.795 1.00 . B A . 6 LEU HG 1 1 20 16226 2 2 6 LEU N N -8.594 -1.153 -3.824 1.00 . B A . 6 LEU N 1 1 20 16227 2 2 6 LEU O O -6.622 -2.951 -1.604 1.00 . B A . 6 LEU O 1 1 20 16228 2 2 7 ALA C C -8.662 -3.001 0.494 1.00 . B A . 7 ALA C 1 1 20 16229 2 2 7 ALA CA C -8.106 -1.592 0.334 1.00 . B A . 7 ALA CA 1 1 20 16230 2 2 7 ALA CB C -8.979 -0.580 1.063 1.00 . B A . 7 ALA CB 1 1 20 16231 2 2 7 ALA H H -8.499 -0.473 -1.423 1.00 . B A . 7 ALA H 1 1 20 16232 2 2 7 ALA HA H -7.112 -1.560 0.753 1.00 . B A . 7 ALA HA 1 1 20 16233 2 2 7 ALA HB1 H -9.976 -0.605 0.648 1.00 . B A . 7 ALA HB1 1 1 20 16234 2 2 7 ALA HB2 H -8.564 0.409 0.943 1.00 . B A . 7 ALA HB2 1 1 20 16235 2 2 7 ALA HB3 H -9.021 -0.829 2.113 1.00 . B A . 7 ALA HB3 1 1 20 16236 2 2 7 ALA N N -8.001 -1.246 -1.077 1.00 . B A . 7 ALA N 1 1 20 16237 2 2 7 ALA O O -8.063 -3.854 1.162 1.00 . B A . 7 ALA O 1 1 20 16238 2 2 8 ASN C C -9.496 -5.626 -0.703 1.00 . B A . 8 ASN C 1 1 20 16239 2 2 8 ASN CA C -10.434 -4.551 -0.160 1.00 . B A . 8 ASN CA 1 1 20 16240 2 2 8 ASN CB C -11.734 -4.493 -0.989 1.00 . B A . 8 ASN CB 1 1 20 16241 2 2 8 ASN CG C -12.446 -5.837 -1.118 1.00 . B A . 8 ASN CG 1 1 20 16242 2 2 8 ASN H H -10.173 -2.508 -0.686 1.00 . B A . 8 ASN H 1 1 20 16243 2 2 8 ASN HA H -10.683 -4.789 0.863 1.00 . B A . 8 ASN HA 1 1 20 16244 2 2 8 ASN HB2 H -12.417 -3.797 -0.522 1.00 . B A . 8 ASN HB2 1 1 20 16245 2 2 8 ASN HB3 H -11.496 -4.135 -1.979 1.00 . B A . 8 ASN HB3 1 1 20 16246 2 2 8 ASN HD21 H -11.629 -6.151 -2.896 1.00 . B A . 8 ASN HD21 1 1 20 16247 2 2 8 ASN HD22 H -12.685 -7.379 -2.344 1.00 . B A . 8 ASN HD22 1 1 20 16248 2 2 8 ASN N N -9.777 -3.246 -0.173 1.00 . B A . 8 ASN N 1 1 20 16249 2 2 8 ASN ND2 N -12.230 -6.521 -2.212 1.00 . B A . 8 ASN ND2 1 1 20 16250 2 2 8 ASN O O -9.318 -6.677 -0.095 1.00 . B A . 8 ASN O 1 1 20 16251 2 2 8 ASN OD1 O -13.236 -6.219 -0.254 1.00 . B A . 8 ASN OD1 1 1 20 16252 2 2 9 LYS C C -6.784 -6.608 -1.619 1.00 . B A . 9 LYS C 1 1 20 16253 2 2 9 LYS CA C -7.954 -6.224 -2.494 1.00 . B A . 9 LYS CA 1 1 20 16254 2 2 9 LYS CB C -7.436 -5.576 -3.784 1.00 . B A . 9 LYS CB 1 1 20 16255 2 2 9 LYS CD C -6.045 -5.716 -5.856 1.00 . B A . 9 LYS CD 1 1 20 16256 2 2 9 LYS CE C -5.099 -6.571 -6.682 1.00 . B A . 9 LYS CE 1 1 20 16257 2 2 9 LYS CG C -6.524 -6.454 -4.621 1.00 . B A . 9 LYS CG 1 1 20 16258 2 2 9 LYS H H -8.998 -4.417 -2.188 1.00 . B A . 9 LYS H 1 1 20 16259 2 2 9 LYS HA H -8.485 -7.128 -2.741 1.00 . B A . 9 LYS HA 1 1 20 16260 2 2 9 LYS HB2 H -8.253 -5.224 -4.395 1.00 . B A . 9 LYS HB2 1 1 20 16261 2 2 9 LYS HB3 H -6.864 -4.707 -3.491 1.00 . B A . 9 LYS HB3 1 1 20 16262 2 2 9 LYS HD2 H -6.901 -5.449 -6.458 1.00 . B A . 9 LYS HD2 1 1 20 16263 2 2 9 LYS HD3 H -5.530 -4.818 -5.547 1.00 . B A . 9 LYS HD3 1 1 20 16264 2 2 9 LYS HE2 H -5.594 -7.497 -6.931 1.00 . B A . 9 LYS HE2 1 1 20 16265 2 2 9 LYS HE3 H -4.856 -6.040 -7.591 1.00 . B A . 9 LYS HE3 1 1 20 16266 2 2 9 LYS HG2 H -5.669 -6.739 -4.026 1.00 . B A . 9 LYS HG2 1 1 20 16267 2 2 9 LYS HG3 H -7.066 -7.337 -4.924 1.00 . B A . 9 LYS HG3 1 1 20 16268 2 2 9 LYS HZ1 H -3.257 -6.027 -5.873 1.00 . B A . 9 LYS HZ1 1 1 20 16269 2 2 9 LYS HZ2 H -3.280 -7.564 -6.490 1.00 . B A . 9 LYS HZ2 1 1 20 16270 2 2 9 LYS HZ3 H -3.989 -7.245 -4.990 1.00 . B A . 9 LYS HZ3 1 1 20 16271 2 2 9 LYS N N -8.856 -5.312 -1.806 1.00 . B A . 9 LYS N 1 1 20 16272 2 2 9 LYS NZ N -3.850 -6.878 -5.955 1.00 . B A . 9 LYS NZ 1 1 20 16273 2 2 9 LYS O O -6.461 -7.781 -1.497 1.00 . B A . 9 LYS O 1 1 20 16274 2 2 10 CYS C C -5.333 -6.653 1.029 1.00 . B A . 10 CYS C 1 1 20 16275 2 2 10 CYS CA C -4.993 -5.854 -0.208 1.00 . B A . 10 CYS CA 1 1 20 16276 2 2 10 CYS CB C -4.379 -4.527 0.186 1.00 . B A . 10 CYS CB 1 1 20 16277 2 2 10 CYS H H -6.527 -4.718 -1.088 1.00 . B A . 10 CYS H 1 1 20 16278 2 2 10 CYS HA H -4.268 -6.420 -0.781 1.00 . B A . 10 CYS HA 1 1 20 16279 2 2 10 CYS HB2 H -4.445 -3.829 -0.633 1.00 . B A . 10 CYS HB2 1 1 20 16280 2 2 10 CYS HB3 H -4.944 -4.130 1.016 1.00 . B A . 10 CYS HB3 1 1 20 16281 2 2 10 CYS N N -6.177 -5.635 -1.006 1.00 . B A . 10 CYS N 1 1 20 16282 2 2 10 CYS O O -4.540 -7.469 1.485 1.00 . B A . 10 CYS O 1 1 20 16283 2 2 10 CYS SG S -2.648 -4.649 0.712 1.00 . B A . 10 CYS SG 1 1 20 16284 2 2 11 CYS C C -7.296 -8.591 2.375 1.00 . B A . 11 CYS C 1 1 20 16285 2 2 11 CYS CA C -6.945 -7.150 2.713 1.00 . B A . 11 CYS CA 1 1 20 16286 2 2 11 CYS CB C -8.126 -6.441 3.367 1.00 . B A . 11 CYS CB 1 1 20 16287 2 2 11 CYS H H -7.133 -5.799 1.130 1.00 . B A . 11 CYS H 1 1 20 16288 2 2 11 CYS HA H -6.115 -7.151 3.405 1.00 . B A . 11 CYS HA 1 1 20 16289 2 2 11 CYS HB2 H -7.903 -5.389 3.441 1.00 . B A . 11 CYS HB2 1 1 20 16290 2 2 11 CYS HB3 H -8.998 -6.570 2.742 1.00 . B A . 11 CYS HB3 1 1 20 16291 2 2 11 CYS N N -6.525 -6.453 1.538 1.00 . B A . 11 CYS N 1 1 20 16292 2 2 11 CYS O O -6.992 -9.510 3.144 1.00 . B A . 11 CYS O 1 1 20 16293 2 2 11 CYS SG S -8.532 -7.070 5.032 1.00 . B A . 11 CYS SG 1 1 20 16294 2 2 12 HIS C C -7.113 -10.939 0.297 1.00 . B A . 12 HIS C 1 1 20 16295 2 2 12 HIS CA C -8.290 -10.141 0.796 1.00 . B A . 12 HIS CA 1 1 20 16296 2 2 12 HIS CB C -9.396 -10.104 -0.272 1.00 . B A . 12 HIS CB 1 1 20 16297 2 2 12 HIS CD2 C -11.154 -8.876 1.172 1.00 . B A . 12 HIS CD2 1 1 20 16298 2 2 12 HIS CE1 C -12.944 -9.908 0.537 1.00 . B A . 12 HIS CE1 1 1 20 16299 2 2 12 HIS CG C -10.766 -9.795 0.265 1.00 . B A . 12 HIS CG 1 1 20 16300 2 2 12 HIS H H -8.075 -8.043 0.602 1.00 . B A . 12 HIS H 1 1 20 16301 2 2 12 HIS HA H -8.683 -10.636 1.672 1.00 . B A . 12 HIS HA 1 1 20 16302 2 2 12 HIS HB2 H -9.146 -9.335 -0.988 1.00 . B A . 12 HIS HB2 1 1 20 16303 2 2 12 HIS HB3 H -9.419 -11.056 -0.779 1.00 . B A . 12 HIS HB3 1 1 20 16304 2 2 12 HIS HD1 H -11.989 -11.171 -0.786 1.00 . B A . 12 HIS HD1 1 1 20 16305 2 2 12 HIS HD2 H -10.482 -8.198 1.675 1.00 . B A . 12 HIS HD2 1 1 20 16306 2 2 12 HIS HE1 H -13.972 -10.220 0.429 1.00 . B A . 12 HIS HE1 1 1 20 16307 2 2 12 HIS N N -7.894 -8.801 1.207 1.00 . B A . 12 HIS N 1 1 20 16308 2 2 12 HIS ND1 N -11.920 -10.442 -0.129 1.00 . B A . 12 HIS ND1 1 1 20 16309 2 2 12 HIS NE2 N -12.535 -8.946 1.347 1.00 . B A . 12 HIS NE2 1 1 20 16310 2 2 12 HIS O O -6.857 -12.047 0.760 1.00 . B A . 12 HIS O 1 1 20 16311 2 2 13 VAL C C -3.962 -10.331 -1.087 1.00 . B A . 13 VAL C 1 1 20 16312 2 2 13 VAL CA C -5.288 -11.069 -1.243 1.00 . B A . 13 VAL CA 1 1 20 16313 2 2 13 VAL CB C -5.573 -11.415 -2.724 1.00 . B A . 13 VAL CB 1 1 20 16314 2 2 13 VAL CG1 C -6.650 -12.469 -2.798 1.00 . B A . 13 VAL CG1 1 1 20 16315 2 2 13 VAL CG2 C -6.012 -10.190 -3.531 1.00 . B A . 13 VAL CG2 1 1 20 16316 2 2 13 VAL H H -6.625 -9.464 -0.903 1.00 . B A . 13 VAL H 1 1 20 16317 2 2 13 VAL HA H -5.189 -12.001 -0.705 1.00 . B A . 13 VAL HA 1 1 20 16318 2 2 13 VAL HB H -4.646 -11.782 -3.133 1.00 . B A . 13 VAL HB 1 1 20 16319 2 2 13 VAL HG11 H -6.829 -12.729 -3.830 1.00 . B A . 13 VAL HG11 1 1 20 16320 2 2 13 VAL HG12 H -7.553 -12.065 -2.360 1.00 . B A . 13 VAL HG12 1 1 20 16321 2 2 13 VAL HG13 H -6.347 -13.343 -2.243 1.00 . B A . 13 VAL HG13 1 1 20 16322 2 2 13 VAL HG21 H -6.199 -10.478 -4.554 1.00 . B A . 13 VAL HG21 1 1 20 16323 2 2 13 VAL HG22 H -5.234 -9.442 -3.503 1.00 . B A . 13 VAL HG22 1 1 20 16324 2 2 13 VAL HG23 H -6.916 -9.782 -3.101 1.00 . B A . 13 VAL HG23 1 1 20 16325 2 2 13 VAL N N -6.397 -10.379 -0.629 1.00 . B A . 13 VAL N 1 1 20 16326 2 2 13 VAL O O -2.953 -10.922 -0.676 1.00 . B A . 13 VAL O 1 1 20 16327 2 2 14 GLY C C -2.713 -7.173 -2.272 1.00 . B A . 14 GLY C 1 1 20 16328 2 2 14 GLY CA C -2.777 -8.281 -1.268 1.00 . B A . 14 GLY CA 1 1 20 16329 2 2 14 GLY H H -4.776 -8.682 -1.787 1.00 . B A . 14 GLY H 1 1 20 16330 2 2 14 GLY HA2 H -2.772 -7.848 -0.279 1.00 . B A . 14 GLY HA2 1 1 20 16331 2 2 14 GLY HA3 H -1.897 -8.891 -1.360 1.00 . B A . 14 GLY HA3 1 1 20 16332 2 2 14 GLY N N -3.958 -9.076 -1.413 1.00 . B A . 14 GLY N 1 1 20 16333 2 2 14 GLY O O -3.523 -7.129 -3.220 1.00 . B A . 14 GLY O 1 1 20 16334 2 2 15 CYS C C -0.195 -4.795 -3.110 1.00 . B A . 15 CYS C 1 1 20 16335 2 2 15 CYS CA C -1.641 -5.129 -2.916 1.00 . B A . 15 CYS CA 1 1 20 16336 2 2 15 CYS CB C -2.323 -3.940 -2.286 1.00 . B A . 15 CYS CB 1 1 20 16337 2 2 15 CYS H H -1.168 -6.383 -1.317 1.00 . B A . 15 CYS H 1 1 20 16338 2 2 15 CYS HA H -2.115 -5.331 -3.862 1.00 . B A . 15 CYS HA 1 1 20 16339 2 2 15 CYS HB2 H -2.165 -3.100 -2.948 1.00 . B A . 15 CYS HB2 1 1 20 16340 2 2 15 CYS HB3 H -3.378 -4.142 -2.230 1.00 . B A . 15 CYS HB3 1 1 20 16341 2 2 15 CYS N N -1.791 -6.279 -2.074 1.00 . B A . 15 CYS N 1 1 20 16342 2 2 15 CYS O O 0.665 -5.197 -2.309 1.00 . B A . 15 CYS O 1 1 20 16343 2 2 15 CYS SG S -1.685 -3.460 -0.623 1.00 . B A . 15 CYS SG 1 1 20 16344 2 2 16 THR C C 1.668 -2.284 -3.794 1.00 . B A . 16 THR C 1 1 20 16345 2 2 16 THR CA C 1.398 -3.641 -4.408 1.00 . B A . 16 THR CA 1 1 20 16346 2 2 16 THR CB C 1.684 -3.646 -5.911 1.00 . B A . 16 THR CB 1 1 20 16347 2 2 16 THR CG2 C 1.809 -5.068 -6.425 1.00 . B A . 16 THR CG2 1 1 20 16348 2 2 16 THR H H -0.625 -3.754 -4.749 1.00 . B A . 16 THR H 1 1 20 16349 2 2 16 THR HA H 2.052 -4.349 -3.934 1.00 . B A . 16 THR HA 1 1 20 16350 2 2 16 THR HB H 2.613 -3.123 -6.088 1.00 . B A . 16 THR HB 1 1 20 16351 2 2 16 THR HG1 H 0.891 -2.867 -7.523 1.00 . B A . 16 THR HG1 1 1 20 16352 2 2 16 THR HG21 H 0.896 -5.604 -6.215 1.00 . B A . 16 THR HG21 1 1 20 16353 2 2 16 THR HG22 H 2.634 -5.561 -5.932 1.00 . B A . 16 THR HG22 1 1 20 16354 2 2 16 THR HG23 H 1.981 -5.051 -7.490 1.00 . B A . 16 THR HG23 1 1 20 16355 2 2 16 THR N N 0.081 -4.052 -4.140 1.00 . B A . 16 THR N 1 1 20 16356 2 2 16 THR O O 0.808 -1.417 -3.784 1.00 . B A . 16 THR O 1 1 20 16357 2 2 16 THR OG1 O 0.625 -2.976 -6.603 1.00 . B A . 16 THR OG1 1 1 20 16358 2 2 17 LYS C C 3.193 0.332 -3.540 1.00 . B A . 17 LYS C 1 1 20 16359 2 2 17 LYS CA C 3.315 -0.887 -2.621 1.00 . B A . 17 LYS CA 1 1 20 16360 2 2 17 LYS CB C 4.745 -1.112 -2.089 1.00 . B A . 17 LYS CB 1 1 20 16361 2 2 17 LYS CD C 4.496 0.298 0.041 1.00 . B A . 17 LYS CD 1 1 20 16362 2 2 17 LYS CE C 4.437 -0.836 1.064 1.00 . B A . 17 LYS CE 1 1 20 16363 2 2 17 LYS CG C 5.341 -0.028 -1.201 1.00 . B A . 17 LYS CG 1 1 20 16364 2 2 17 LYS H H 3.471 -2.881 -3.440 1.00 . B A . 17 LYS H 1 1 20 16365 2 2 17 LYS HA H 2.644 -0.704 -1.792 1.00 . B A . 17 LYS HA 1 1 20 16366 2 2 17 LYS HB2 H 4.744 -2.043 -1.555 1.00 . B A . 17 LYS HB2 1 1 20 16367 2 2 17 LYS HB3 H 5.428 -1.235 -2.919 1.00 . B A . 17 LYS HB3 1 1 20 16368 2 2 17 LYS HD2 H 4.928 1.160 0.527 1.00 . B A . 17 LYS HD2 1 1 20 16369 2 2 17 LYS HD3 H 3.493 0.544 -0.275 1.00 . B A . 17 LYS HD3 1 1 20 16370 2 2 17 LYS HE2 H 3.790 -0.536 1.875 1.00 . B A . 17 LYS HE2 1 1 20 16371 2 2 17 LYS HE3 H 4.021 -1.711 0.586 1.00 . B A . 17 LYS HE3 1 1 20 16372 2 2 17 LYS HG2 H 6.278 -0.450 -0.867 1.00 . B A . 17 LYS HG2 1 1 20 16373 2 2 17 LYS HG3 H 5.518 0.863 -1.785 1.00 . B A . 17 LYS HG3 1 1 20 16374 2 2 17 LYS HZ1 H 5.604 -1.634 2.548 1.00 . B A . 17 LYS HZ1 1 1 20 16375 2 2 17 LYS HZ2 H 6.369 -0.350 1.829 1.00 . B A . 17 LYS HZ2 1 1 20 16376 2 2 17 LYS HZ3 H 6.281 -1.911 1.090 1.00 . B A . 17 LYS HZ3 1 1 20 16377 2 2 17 LYS N N 2.873 -2.109 -3.318 1.00 . B A . 17 LYS N 1 1 20 16378 2 2 17 LYS NZ N 5.766 -1.177 1.628 1.00 . B A . 17 LYS NZ 1 1 20 16379 2 2 17 LYS O O 2.810 1.409 -3.105 1.00 . B A . 17 LYS O 1 1 20 16380 2 2 18 ARG C C 1.781 1.561 -5.959 1.00 . B A . 18 ARG C 1 1 20 16381 2 2 18 ARG CA C 3.262 1.154 -5.858 1.00 . B A . 18 ARG CA 1 1 20 16382 2 2 18 ARG CB C 3.724 0.651 -7.233 1.00 . B A . 18 ARG CB 1 1 20 16383 2 2 18 ARG CD C 5.875 1.929 -7.356 1.00 . B A . 18 ARG CD 1 1 20 16384 2 2 18 ARG CG C 5.225 0.556 -7.432 1.00 . B A . 18 ARG CG 1 1 20 16385 2 2 18 ARG CZ C 5.432 4.209 -8.246 1.00 . B A . 18 ARG CZ 1 1 20 16386 2 2 18 ARG H H 3.839 -0.762 -5.022 1.00 . B A . 18 ARG H 1 1 20 16387 2 2 18 ARG HA H 3.842 2.023 -5.586 1.00 . B A . 18 ARG HA 1 1 20 16388 2 2 18 ARG HB2 H 3.315 -0.337 -7.378 1.00 . B A . 18 ARG HB2 1 1 20 16389 2 2 18 ARG HB3 H 3.320 1.305 -7.992 1.00 . B A . 18 ARG HB3 1 1 20 16390 2 2 18 ARG HD2 H 5.729 2.336 -6.367 1.00 . B A . 18 ARG HD2 1 1 20 16391 2 2 18 ARG HD3 H 6.933 1.821 -7.543 1.00 . B A . 18 ARG HD3 1 1 20 16392 2 2 18 ARG HE H 4.834 2.459 -9.082 1.00 . B A . 18 ARG HE 1 1 20 16393 2 2 18 ARG HG2 H 5.643 -0.075 -6.661 1.00 . B A . 18 ARG HG2 1 1 20 16394 2 2 18 ARG HG3 H 5.427 0.124 -8.401 1.00 . B A . 18 ARG HG3 1 1 20 16395 2 2 18 ARG HH11 H 6.575 4.235 -6.531 1.00 . B A . 18 ARG HH11 1 1 20 16396 2 2 18 ARG HH12 H 6.206 5.759 -7.180 1.00 . B A . 18 ARG HH12 1 1 20 16397 2 2 18 ARG HH21 H 4.349 4.614 -9.933 1.00 . B A . 18 ARG HH21 1 1 20 16398 2 2 18 ARG HH22 H 4.944 5.986 -9.117 1.00 . B A . 18 ARG HH22 1 1 20 16399 2 2 18 ARG N N 3.465 0.120 -4.813 1.00 . B A . 18 ARG N 1 1 20 16400 2 2 18 ARG NE N 5.318 2.874 -8.330 1.00 . B A . 18 ARG NE 1 1 20 16401 2 2 18 ARG NH1 N 6.116 4.763 -7.250 1.00 . B A . 18 ARG NH1 1 1 20 16402 2 2 18 ARG NH2 N 4.871 4.987 -9.162 1.00 . B A . 18 ARG NH2 1 1 20 16403 2 2 18 ARG O O 1.446 2.727 -6.248 1.00 . B A . 18 ARG O 1 1 20 16404 2 2 19 SER C C -1.004 1.658 -4.628 1.00 . B A . 19 SER C 1 1 20 16405 2 2 19 SER CA C -0.491 0.822 -5.792 1.00 . B A . 19 SER CA 1 1 20 16406 2 2 19 SER CB C -1.204 -0.528 -5.898 1.00 . B A . 19 SER CB 1 1 20 16407 2 2 19 SER H H 1.224 -0.241 -5.328 1.00 . B A . 19 SER H 1 1 20 16408 2 2 19 SER HA H -0.660 1.377 -6.704 1.00 . B A . 19 SER HA 1 1 20 16409 2 2 19 SER HB2 H -0.737 -1.050 -6.718 1.00 . B A . 19 SER HB2 1 1 20 16410 2 2 19 SER HB3 H -1.037 -1.122 -5.006 1.00 . B A . 19 SER HB3 1 1 20 16411 2 2 19 SER HG H -2.988 -1.256 -6.107 1.00 . B A . 19 SER HG 1 1 20 16412 2 2 19 SER N N 0.916 0.624 -5.670 1.00 . B A . 19 SER N 1 1 20 16413 2 2 19 SER O O -1.922 2.455 -4.789 1.00 . B A . 19 SER O 1 1 20 16414 2 2 19 SER OG O -2.592 -0.377 -6.162 1.00 . B A . 19 SER OG 1 1 20 16415 2 2 20 LEU C C -0.109 3.702 -2.507 1.00 . B A . 20 LEU C 1 1 20 16416 2 2 20 LEU CA C -0.787 2.376 -2.342 1.00 . B A . 20 LEU CA 1 1 20 16417 2 2 20 LEU CB C -0.498 1.826 -0.920 1.00 . B A . 20 LEU CB 1 1 20 16418 2 2 20 LEU CD1 C 0.139 -0.586 -1.012 1.00 . B A . 20 LEU CD1 1 1 20 16419 2 2 20 LEU CD2 C -1.142 0.243 0.905 1.00 . B A . 20 LEU CD2 1 1 20 16420 2 2 20 LEU CG C -0.908 0.390 -0.574 1.00 . B A . 20 LEU CG 1 1 20 16421 2 2 20 LEU H H 0.252 0.778 -3.379 1.00 . B A . 20 LEU H 1 1 20 16422 2 2 20 LEU HA H -1.829 2.627 -2.437 1.00 . B A . 20 LEU HA 1 1 20 16423 2 2 20 LEU HB2 H 0.540 1.971 -0.669 1.00 . B A . 20 LEU HB2 1 1 20 16424 2 2 20 LEU HB3 H -1.054 2.469 -0.257 1.00 . B A . 20 LEU HB3 1 1 20 16425 2 2 20 LEU HD11 H -0.183 -1.589 -0.774 1.00 . B A . 20 LEU HD11 1 1 20 16426 2 2 20 LEU HD12 H 1.058 -0.373 -0.487 1.00 . B A . 20 LEU HD12 1 1 20 16427 2 2 20 LEU HD13 H 0.298 -0.501 -2.077 1.00 . B A . 20 LEU HD13 1 1 20 16428 2 2 20 LEU HD21 H -0.214 0.473 1.409 1.00 . B A . 20 LEU HD21 1 1 20 16429 2 2 20 LEU HD22 H -1.417 -0.778 1.119 1.00 . B A . 20 LEU HD22 1 1 20 16430 2 2 20 LEU HD23 H -1.925 0.913 1.227 1.00 . B A . 20 LEU HD23 1 1 20 16431 2 2 20 LEU HG H -1.827 0.152 -1.086 1.00 . B A . 20 LEU HG 1 1 20 16432 2 2 20 LEU N N -0.406 1.503 -3.458 1.00 . B A . 20 LEU N 1 1 20 16433 2 2 20 LEU O O -0.650 4.723 -2.098 1.00 . B A . 20 LEU O 1 1 20 16434 2 2 21 ALA C C 1.081 5.942 -4.109 1.00 . B A . 21 ALA C 1 1 20 16435 2 2 21 ALA CA C 1.870 4.870 -3.409 1.00 . B A . 21 ALA CA 1 1 20 16436 2 2 21 ALA CB C 3.084 4.517 -4.247 1.00 . B A . 21 ALA CB 1 1 20 16437 2 2 21 ALA H H 1.380 2.777 -3.391 1.00 . B A . 21 ALA H 1 1 20 16438 2 2 21 ALA HA H 2.218 5.280 -2.475 1.00 . B A . 21 ALA HA 1 1 20 16439 2 2 21 ALA HB1 H 2.759 4.166 -5.215 1.00 . B A . 21 ALA HB1 1 1 20 16440 2 2 21 ALA HB2 H 3.650 3.739 -3.757 1.00 . B A . 21 ALA HB2 1 1 20 16441 2 2 21 ALA HB3 H 3.705 5.392 -4.373 1.00 . B A . 21 ALA HB3 1 1 20 16442 2 2 21 ALA N N 1.054 3.671 -3.136 1.00 . B A . 21 ALA N 1 1 20 16443 2 2 21 ALA O O 1.105 7.103 -3.705 1.00 . B A . 21 ALA O 1 1 20 16444 2 2 22 ARG C C -1.594 7.124 -5.181 1.00 . B A . 22 ARG C 1 1 20 16445 2 2 22 ARG CA C -0.429 6.478 -5.948 1.00 . B A . 22 ARG CA 1 1 20 16446 2 2 22 ARG CB C -0.942 5.788 -7.206 1.00 . B A . 22 ARG CB 1 1 20 16447 2 2 22 ARG CD C -2.260 3.881 -8.133 1.00 . B A . 22 ARG CD 1 1 20 16448 2 2 22 ARG CG C -1.763 4.571 -6.902 1.00 . B A . 22 ARG CG 1 1 20 16449 2 2 22 ARG CZ C -3.778 1.959 -8.542 1.00 . B A . 22 ARG CZ 1 1 20 16450 2 2 22 ARG H H 0.336 4.575 -5.314 1.00 . B A . 22 ARG H 1 1 20 16451 2 2 22 ARG HA H 0.247 7.266 -6.246 1.00 . B A . 22 ARG HA 1 1 20 16452 2 2 22 ARG HB2 H -1.550 6.481 -7.768 1.00 . B A . 22 ARG HB2 1 1 20 16453 2 2 22 ARG HB3 H -0.098 5.486 -7.809 1.00 . B A . 22 ARG HB3 1 1 20 16454 2 2 22 ARG HD2 H -2.977 4.522 -8.622 1.00 . B A . 22 ARG HD2 1 1 20 16455 2 2 22 ARG HD3 H -1.429 3.681 -8.794 1.00 . B A . 22 ARG HD3 1 1 20 16456 2 2 22 ARG HE H -2.622 2.239 -6.920 1.00 . B A . 22 ARG HE 1 1 20 16457 2 2 22 ARG HG2 H -1.157 3.874 -6.342 1.00 . B A . 22 ARG HG2 1 1 20 16458 2 2 22 ARG HG3 H -2.607 4.868 -6.297 1.00 . B A . 22 ARG HG3 1 1 20 16459 2 2 22 ARG HH11 H -3.897 3.365 -10.034 1.00 . B A . 22 ARG HH11 1 1 20 16460 2 2 22 ARG HH12 H -4.860 1.972 -10.260 1.00 . B A . 22 ARG HH12 1 1 20 16461 2 2 22 ARG HH21 H -3.891 0.359 -7.296 1.00 . B A . 22 ARG HH21 1 1 20 16462 2 2 22 ARG HH22 H -4.852 0.243 -8.705 1.00 . B A . 22 ARG HH22 1 1 20 16463 2 2 22 ARG N N 0.343 5.540 -5.123 1.00 . B A . 22 ARG N 1 1 20 16464 2 2 22 ARG NE N -2.905 2.621 -7.783 1.00 . B A . 22 ARG NE 1 1 20 16465 2 2 22 ARG NH1 N -4.206 2.474 -9.689 1.00 . B A . 22 ARG NH1 1 1 20 16466 2 2 22 ARG NH2 N -4.209 0.779 -8.153 1.00 . B A . 22 ARG NH2 1 1 20 16467 2 2 22 ARG O O -2.160 8.116 -5.632 1.00 . B A . 22 ARG O 1 1 20 16468 2 2 23 PHE C C -2.429 7.798 -2.043 1.00 . B A . 23 PHE C 1 1 20 16469 2 2 23 PHE CA C -3.019 7.132 -3.243 1.00 . B A . 23 PHE CA 1 1 20 16470 2 2 23 PHE CB C -3.996 6.044 -2.790 1.00 . B A . 23 PHE CB 1 1 20 16471 2 2 23 PHE CD1 C -6.164 7.328 -2.758 1.00 . B A . 23 PHE CD1 1 1 20 16472 2 2 23 PHE CD2 C -5.416 6.337 -0.729 1.00 . B A . 23 PHE CD2 1 1 20 16473 2 2 23 PHE CE1 C -7.281 7.818 -2.111 1.00 . B A . 23 PHE CE1 1 1 20 16474 2 2 23 PHE CE2 C -6.530 6.823 -0.075 1.00 . B A . 23 PHE CE2 1 1 20 16475 2 2 23 PHE CG C -5.219 6.583 -2.077 1.00 . B A . 23 PHE CG 1 1 20 16476 2 2 23 PHE CZ C -7.464 7.564 -0.768 1.00 . B A . 23 PHE CZ 1 1 20 16477 2 2 23 PHE H H -1.437 5.798 -3.719 1.00 . B A . 23 PHE H 1 1 20 16478 2 2 23 PHE HA H -3.547 7.863 -3.833 1.00 . B A . 23 PHE HA 1 1 20 16479 2 2 23 PHE HB2 H -4.273 5.439 -3.633 1.00 . B A . 23 PHE HB2 1 1 20 16480 2 2 23 PHE HB3 H -3.483 5.390 -2.100 1.00 . B A . 23 PHE HB3 1 1 20 16481 2 2 23 PHE HD1 H -6.022 7.527 -3.811 1.00 . B A . 23 PHE HD1 1 1 20 16482 2 2 23 PHE HD2 H -4.686 5.758 -0.184 1.00 . B A . 23 PHE HD2 1 1 20 16483 2 2 23 PHE HE1 H -8.011 8.398 -2.657 1.00 . B A . 23 PHE HE1 1 1 20 16484 2 2 23 PHE HE2 H -6.670 6.623 0.977 1.00 . B A . 23 PHE HE2 1 1 20 16485 2 2 23 PHE HZ H -8.337 7.943 -0.259 1.00 . B A . 23 PHE HZ 1 1 20 16486 2 2 23 PHE N N -1.945 6.573 -4.041 1.00 . B A . 23 PHE N 1 1 20 16487 2 2 23 PHE O O -2.422 9.023 -1.928 1.00 . B A . 23 PHE O 1 1 20 16488 2 2 24 CYS C C -2.159 8.255 0.924 1.00 . B A . 24 CYS C 1 1 20 16489 2 2 24 CYS CA C -1.260 7.345 0.066 1.00 . B A . 24 CYS CA 1 1 20 16490 2 2 24 CYS CB C 0.107 7.995 -0.204 1.00 . B A . 24 CYS CB 1 1 20 16491 2 2 24 CYS H H -1.943 6.016 -1.470 1.00 . B A . 24 CYS H 1 1 20 16492 2 2 24 CYS HA H -1.100 6.426 0.610 1.00 . B A . 24 CYS HA 1 1 20 16493 2 2 24 CYS HB2 H 0.720 7.308 -0.768 1.00 . B A . 24 CYS HB2 1 1 20 16494 2 2 24 CYS HB3 H -0.043 8.892 -0.786 1.00 . B A . 24 CYS HB3 1 1 20 16495 2 2 24 CYS N N -1.903 6.960 -1.188 1.00 . B A . 24 CYS N 1 1 20 16496 2 2 24 CYS O O -2.092 9.486 0.835 1.00 . B A . 24 CYS O 1 1 20 16497 2 2 24 CYS SG S 1.039 8.453 1.296 1.00 . B A . 24 CYS SG 1 1 20 16498 2 2 25 NH2 HN1 H -3.023 6.680 1.767 1.00 . B A . 25 NH2 HN1 1 1 20 16499 2 2 25 NH2 HN2 H -3.596 8.220 2.278 1.00 . B A . 25 NH2 HN2 1 1 20 16500 2 2 25 NH2 N N -3.006 7.659 1.732 1.00 . B A . 25 NH2 N 1 1 stop_ save_
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