NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
425706 | 2gqe | 7158 | cing | 4-filtered-FRED | STAR | entry | full | 341 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2gqe # This FRED archive file contains, for PDB entry <2gqe>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend, # JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with # curated sets of experimental NMR restraints for over 4,000 protein and nucleic # acid PDB entries. (in preparation) save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_2gqe _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2gqe _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all other bound" _Assembly.Molecular_mass 3473.37 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 $Nuclear_pore_complex_protein_Nup153 A . 1 1 2 . 2 $ZINC_ION B . 1 1 stop_ loop_ _PDBX_nonpoly_scheme.Entity_assembly_ID _PDBX_nonpoly_scheme.Entity_ID _PDBX_nonpoly_scheme.Mon_ID _PDBX_nonpoly_scheme.Comp_index_ID _PDBX_nonpoly_scheme.Comp_ID _PDBX_nonpoly_scheme.Entry_ID _PDBX_nonpoly_scheme.Assembly_ID 2 2 ZN 1 ZN 1 1 stop_ save_ save_Nuclear_pore_complex_protein_Nup153 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Nuclear pore complex protein Nup153" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code GHMVIGTWDCDTCLVQNKPEAIKCVACETPKP _Entity.Number_of_monomers 32 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 GLY . 1 1 2 HIS . 1 1 3 MET . 1 1 4 VAL . 1 1 5 ILE . 1 1 6 GLY . 1 1 7 THR . 1 1 8 TRP . 1 1 9 ASP . 1 1 10 CYS . 1 1 11 ASP . 1 1 12 THR . 1 1 13 CYS . 1 1 14 LEU . 1 1 15 VAL . 1 1 16 GLN . 1 1 17 ASN . 1 1 18 LYS . 1 1 19 PRO . 1 1 20 GLU . 1 1 21 ALA . 1 1 22 ILE . 1 1 23 LYS . 1 1 24 CYS . 1 1 25 VAL . 1 1 26 ALA . 1 1 27 CYS . 1 1 28 GLU . 1 1 29 THR . 1 1 30 PRO . 1 1 31 LYS . 1 1 32 PRO . 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID GLY 1 1 1 1 HIS 2 2 1 1 MET 3 3 1 1 VAL 4 4 1 1 ILE 5 5 1 1 GLY 6 6 1 1 THR 7 7 1 1 TRP 8 8 1 1 ASP 9 9 1 1 CYS 10 10 1 1 ASP 11 11 1 1 THR 12 12 1 1 CYS 13 13 1 1 LEU 14 14 1 1 VAL 15 15 1 1 GLN 16 16 1 1 ASN 17 17 1 1 LYS 18 18 1 1 PRO 19 19 1 1 GLU 20 20 1 1 ALA 21 21 1 1 ILE 22 22 1 1 LYS 23 23 1 1 CYS 24 24 1 1 VAL 25 25 1 1 ALA 26 26 1 1 CYS 27 27 1 1 GLU 28 28 1 1 THR 29 29 1 1 PRO 30 30 1 1 LYS 31 31 1 1 PRO 32 32 1 1 stop_ save_ save_ZINC_ION _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 2 _Entity.Name "ZINC ION" _Entity.Type non-polymer loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 ZN $ZN 1 2 stop_ save_ save_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID ZN _Chem_comp.Type non-polymer save_ save_DYANA/DIANA_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 1 . . . 1 1 196 1 . . . 1 1 197 1 . . . 1 1 198 1 . . . 1 1 199 1 . . . 1 1 200 1 . . . 1 1 201 1 . . . 1 1 202 1 . . . 1 1 203 1 . . . 1 1 204 1 . . . 1 1 205 1 . . . 1 1 206 1 . . . 1 1 207 1 . . . 1 1 208 1 . . . 1 1 209 1 . . . 1 1 210 1 . . . 1 1 211 1 . . . 1 1 212 1 . . . 1 1 213 1 . . . 1 1 214 1 . . . 1 1 215 1 . . . 1 1 216 1 . . . 1 1 217 1 . . . 1 1 218 1 . . . 1 1 219 1 . . . 1 1 220 1 . . . 1 1 221 1 . . . 1 1 222 1 . . . 1 1 223 1 . . . 1 1 224 1 . . . 1 1 225 1 . . . 1 1 226 1 . . . 1 1 227 1 . . . 1 1 228 1 . . . 1 1 229 1 . . . 1 1 230 1 . . . 1 1 231 1 . . . 1 1 232 1 . . . 1 1 233 1 . . . 1 1 234 1 . . . 1 1 235 1 . . . 1 1 236 1 . . . 1 1 237 1 . . . 1 1 238 1 . . . 1 1 239 1 . . . 1 1 240 1 . . . 1 1 241 1 . . . 1 1 242 1 . . . 1 1 243 1 . . . 1 1 244 1 . . . 1 1 245 1 . . . 1 1 246 1 . . . 1 1 247 1 . . . 1 1 248 1 . . . 1 1 249 1 . . . 1 1 250 1 . . . 1 1 251 1 . . . 1 1 252 1 . . . 1 1 253 1 . . . 1 1 254 1 . . . 1 1 255 1 . . . 1 1 256 1 . . . 1 1 257 1 . . . 1 1 258 1 . . . 1 1 259 1 . . . 1 1 260 1 . . . 1 1 261 1 . . . 1 1 262 1 . . . 1 1 263 1 . . . 1 1 264 1 . . . 1 1 265 1 . . . 1 1 266 1 . . . 1 1 267 1 . . . 1 1 268 1 . . . 1 1 269 1 . . . 1 1 270 1 . . . 1 1 271 1 . . . 1 1 272 1 . . . 1 1 273 1 . . . 1 1 274 1 . . . 1 1 275 1 . . . 1 1 276 1 . . . 1 1 277 1 . . . 1 1 278 1 . . . 1 1 279 1 . . . 1 1 280 1 . . . 1 1 281 1 . . . 1 1 282 1 . . . 1 1 283 1 . . . 1 1 284 1 . . . 1 1 285 1 . . . 1 1 286 1 . . . 1 1 287 1 . . . 1 1 288 1 . . . 1 1 289 1 . . . 1 1 290 1 . . . 1 1 291 1 . . . 1 1 292 1 . . . 1 1 293 1 . . . 1 1 294 1 . . . 1 1 295 1 . . . 1 1 296 1 . . . 1 1 297 1 . . . 1 1 298 1 . . . 1 1 299 1 . . . 1 1 300 1 . . . 1 1 301 1 . . . 1 1 302 1 . . . 1 1 303 1 . . . 1 1 304 1 . . . 1 1 305 1 . . . 1 1 306 1 . . . 1 1 307 1 . . . 1 1 308 1 . . . 1 1 309 1 . . . 1 1 310 1 . . . 1 1 311 1 . . . 1 1 312 1 . . . 1 1 313 1 . . . 1 1 314 1 . . . 1 1 315 1 . . . 1 1 316 1 . . . 1 1 317 1 . . . 1 1 318 1 . . . 1 1 319 1 . . . 1 1 320 1 . . . 1 1 321 1 . . . 1 1 322 1 . . . 1 1 323 1 . . . 1 1 324 1 . . . 1 1 325 1 . . . 1 1 326 1 . . . 1 1 327 1 . . . 1 1 328 1 . . . 1 1 329 1 . . . 1 1 330 1 . . . 1 1 331 1 . . . 1 1 332 1 . . . 1 1 333 1 . . . 1 1 334 1 . . . 1 1 335 1 . . . 1 1 336 1 . . . 1 1 337 1 . . . 1 1 338 1 . . . 1 1 339 1 . . . 1 1 340 1 . . . 1 1 341 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 2 HIS HA . 2 HIS HA 1 1 1 1 2 1 1 2 HIS HD2 . 2 HIS HD2 1 1 2 1 1 1 1 3 MET QB . 3 MET HB2 1 1 2 1 2 1 1 18 LYS QB . 18 LYS HB2 1 1 3 1 1 1 1 4 VAL QG . 4 VAL QQG 1 1 3 1 2 1 1 5 ILE H . 5 ILE H 1 1 4 1 1 1 1 4 VAL QG . 4 VAL QQG 1 1 4 1 2 1 1 19 PRO QG . 19 PRO HG2 1 1 5 1 1 1 1 5 ILE H . 5 ILE H 1 1 5 1 2 1 1 5 ILE HB . 5 ILE HB 1 1 6 1 1 1 1 5 ILE H . 5 ILE H 1 1 6 1 2 1 1 5 ILE QG . 5 ILE QG1 1 1 7 1 1 1 1 5 ILE HA . 5 ILE HA 1 1 7 1 2 1 1 5 ILE MD . 5 ILE QD1 1 1 8 1 1 1 1 5 ILE HA . 5 ILE HA 1 1 8 1 2 1 1 5 ILE QG . 5 ILE QG1 1 1 9 1 1 1 1 5 ILE HA . 5 ILE HA 1 1 9 1 2 1 1 5 ILE MG . 5 ILE QG2 1 1 10 1 1 1 1 5 ILE HA . 5 ILE HA 1 1 10 1 2 1 1 6 GLY H . 6 GLY H 1 1 11 1 1 1 1 5 ILE HB . 5 ILE HB 1 1 11 1 2 1 1 5 ILE MD . 5 ILE QD1 1 1 12 1 1 1 1 6 GLY H . 6 GLY H 1 1 12 1 2 1 1 7 THR H . 7 THR H 1 1 13 1 1 1 1 6 GLY QA . 6 GLY HA3 1 1 13 1 2 1 1 7 THR H . 7 THR H 1 1 14 1 1 1 1 6 GLY QA . 6 GLY HA3 1 1 14 1 2 1 1 19 PRO QB . 19 PRO HB2 1 1 15 1 1 1 1 6 GLY QA . 6 GLY HA3 1 1 15 1 2 1 1 19 PRO QG . 19 PRO HG3 1 1 16 1 1 1 1 7 THR H . 7 THR H 1 1 16 1 2 1 1 7 THR MG . 7 THR QG2 1 1 17 1 1 1 1 7 THR H . 7 THR H 1 1 17 1 2 1 1 19 PRO QG . 19 PRO HG3 1 1 18 1 1 1 1 7 THR HA . 7 THR HA 1 1 18 1 2 1 1 7 THR MG . 7 THR QG2 1 1 19 1 1 1 1 7 THR HA . 7 THR HA 1 1 19 1 2 1 1 8 TRP H . 8 TRP H 1 1 20 1 1 1 1 7 THR HA . 7 THR HA 1 1 20 1 2 1 1 8 TRP HD1 . 8 TRP HD1 1 1 21 1 1 1 1 7 THR HA . 7 THR HA 1 1 21 1 2 1 1 17 ASN H . 17 ASN H 1 1 22 1 1 1 1 7 THR HA . 7 THR HA 1 1 22 1 2 1 1 19 PRO QB . 19 PRO HB3 1 1 23 1 1 1 1 7 THR HA . 7 THR HA 1 1 23 1 2 1 1 19 PRO HD3 . 19 PRO HD3 1 1 24 1 1 1 1 7 THR HA . 7 THR HA 1 1 24 1 2 1 1 19 PRO QG . 19 PRO HG3 1 1 25 1 1 1 1 7 THR HB . 7 THR HB 1 1 25 1 2 1 1 8 TRP H . 8 TRP H 1 1 26 1 1 1 1 7 THR HB . 7 THR HB 1 1 26 1 2 1 1 19 PRO HA . 19 PRO HA 1 1 27 1 1 1 1 7 THR HB . 7 THR HB 1 1 27 1 2 1 1 19 PRO QB . 19 PRO HB3 1 1 28 1 1 1 1 7 THR HB . 7 THR HB 1 1 28 1 2 1 1 19 PRO QG . 19 PRO HG3 1 1 29 1 1 1 1 7 THR MG . 7 THR QG2 1 1 29 1 2 1 1 8 TRP H . 8 TRP H 1 1 30 1 1 1 1 7 THR MG . 7 THR QG2 1 1 30 1 2 1 1 18 LYS HA . 18 LYS HA 1 1 31 1 1 1 1 7 THR MG . 7 THR QG2 1 1 31 1 2 1 1 19 PRO HD3 . 19 PRO HD3 1 1 32 1 1 1 1 7 THR MG . 7 THR QG2 1 1 32 1 2 1 1 19 PRO QG . 19 PRO HG3 1 1 33 1 1 1 1 8 TRP H . 8 TRP H 1 1 33 1 2 1 1 8 TRP HD1 . 8 TRP HD1 1 1 34 1 1 1 1 8 TRP H . 8 TRP H 1 1 34 1 2 1 1 17 ASN H . 17 ASN H 1 1 35 1 1 1 1 8 TRP H . 8 TRP H 1 1 35 1 2 1 1 17 ASN HB3 . 17 ASN HB3 1 1 36 1 1 1 1 8 TRP HA . 8 TRP HA 1 1 36 1 2 1 1 9 ASP H . 9 ASP H 1 1 37 1 1 1 1 8 TRP HB2 . 8 TRP HB2 1 1 37 1 2 1 1 8 TRP HE3 . 8 TRP HE3 1 1 38 1 1 1 1 8 TRP HB2 . 8 TRP HB2 1 1 38 1 2 1 1 8 TRP HZ3 . 8 TRP HZ3 1 1 39 1 1 1 1 8 TRP HB2 . 8 TRP HB2 1 1 39 1 2 1 1 9 ASP H . 9 ASP H 1 1 40 1 1 1 1 8 TRP HB3 . 8 TRP HB3 1 1 40 1 2 1 1 8 TRP HD1 . 8 TRP HD1 1 1 41 1 1 1 1 8 TRP HB3 . 8 TRP HB3 1 1 41 1 2 1 1 8 TRP HE3 . 8 TRP HE3 1 1 42 1 1 1 1 8 TRP HB3 . 8 TRP HB3 1 1 42 1 2 1 1 9 ASP H . 9 ASP H 1 1 43 1 1 1 1 8 TRP HD1 . 8 TRP HD1 1 1 43 1 2 1 1 19 PRO HA . 19 PRO HA 1 1 44 1 1 1 1 8 TRP HD1 . 8 TRP HD1 1 1 44 1 2 1 1 31 LYS QE . 31 LYS QE 1 1 45 1 1 1 1 8 TRP HE1 . 8 TRP HE1 1 1 45 1 2 1 1 17 ASN HB2 . 17 ASN HB2 1 1 46 1 1 1 1 8 TRP HE1 . 8 TRP HE1 1 1 46 1 2 1 1 17 ASN HB3 . 17 ASN HB3 1 1 47 1 1 1 1 8 TRP HE1 . 8 TRP HE1 1 1 47 1 2 1 1 19 PRO HA . 19 PRO HA 1 1 48 1 1 1 1 8 TRP HE1 . 8 TRP HE1 1 1 48 1 2 1 1 21 ALA H . 21 ALA H 1 1 49 1 1 1 1 8 TRP HE1 . 8 TRP HE1 1 1 49 1 2 1 1 21 ALA MB . 21 ALA QB 1 1 50 1 1 1 1 8 TRP HE1 . 8 TRP HE1 1 1 50 1 2 1 1 31 LYS HB2 . 31 LYS HB2 1 1 51 1 1 1 1 8 TRP HE1 . 8 TRP HE1 1 1 51 1 2 1 1 31 LYS QD . 31 LYS QD 1 1 52 1 1 1 1 8 TRP HE1 . 8 TRP HE1 1 1 52 1 2 1 1 31 LYS QE . 31 LYS QE 1 1 53 1 1 1 1 8 TRP HE3 . 8 TRP HE3 1 1 53 1 2 1 1 9 ASP H . 9 ASP H 1 1 54 1 1 1 1 8 TRP HH2 . 8 TRP HH2 1 1 54 1 2 1 1 21 ALA MB . 21 ALA QB 1 1 55 1 1 1 1 8 TRP HH2 . 8 TRP HH2 1 1 55 1 2 1 1 24 CYS H . 24 CYS- H 1 1 56 1 1 1 1 8 TRP HH2 . 8 TRP HH2 1 1 56 1 2 1 1 24 CYS HA . 24 CYS- HA 1 1 57 1 1 1 1 8 TRP HH2 . 8 TRP HH2 1 1 57 1 2 1 1 24 CYS HB2 . 24 CYS- HB2 1 1 58 1 1 1 1 8 TRP HH2 . 8 TRP HH2 1 1 58 1 2 1 1 24 CYS HB3 . 24 CYS- HB3 1 1 59 1 1 1 1 8 TRP HH2 . 8 TRP HH2 1 1 59 1 2 1 1 31 LYS H . 31 LYS H 1 1 60 1 1 1 1 8 TRP HH2 . 8 TRP HH2 1 1 60 1 2 1 1 31 LYS HA . 31 LYS HA 1 1 61 1 1 1 1 8 TRP HZ2 . 8 TRP HZ2 1 1 61 1 2 1 1 17 ASN HB2 . 17 ASN HB2 1 1 62 1 1 1 1 8 TRP HZ2 . 8 TRP HZ2 1 1 62 1 2 1 1 21 ALA HA . 21 ALA HA 1 1 63 1 1 1 1 8 TRP HZ2 . 8 TRP HZ2 1 1 63 1 2 1 1 21 ALA MB . 21 ALA QB 1 1 64 1 1 1 1 8 TRP HZ2 . 8 TRP HZ2 1 1 64 1 2 1 1 22 ILE H . 22 ILE H 1 1 65 1 1 1 1 8 TRP HZ2 . 8 TRP HZ2 1 1 65 1 2 1 1 23 LYS H . 23 LYS H 1 1 66 1 1 1 1 8 TRP HZ2 . 8 TRP HZ2 1 1 66 1 2 1 1 24 CYS H . 24 CYS- H 1 1 67 1 1 1 1 8 TRP HZ2 . 8 TRP HZ2 1 1 67 1 2 1 1 24 CYS HA . 24 CYS- HA 1 1 68 1 1 1 1 8 TRP HZ2 . 8 TRP HZ2 1 1 68 1 2 1 1 31 LYS HB2 . 31 LYS HB2 1 1 69 1 1 1 1 8 TRP HZ2 . 8 TRP HZ2 1 1 69 1 2 1 1 31 LYS HG3 . 31 LYS HG3 1 1 70 1 1 1 1 8 TRP HZ3 . 8 TRP HZ3 1 1 70 1 2 1 1 10 CYS HA . 10 CYS- HA 1 1 71 1 1 1 1 8 TRP HZ3 . 8 TRP HZ3 1 1 71 1 2 1 1 24 CYS H . 24 CYS- H 1 1 72 1 1 1 1 8 TRP HZ3 . 8 TRP HZ3 1 1 72 1 2 1 1 24 CYS HB3 . 24 CYS- HB3 1 1 73 1 1 1 1 8 TRP HZ3 . 8 TRP HZ3 1 1 73 1 2 1 1 31 LYS HA . 31 LYS HA 1 1 74 1 1 1 1 9 ASP H . 9 ASP H 1 1 74 1 2 1 1 9 ASP HB2 . 9 ASP HB2 1 1 75 1 1 1 1 9 ASP H . 9 ASP H 1 1 75 1 2 1 1 9 ASP HB3 . 9 ASP HB3 1 1 76 1 1 1 1 9 ASP H . 9 ASP H 1 1 76 1 2 1 1 16 GLN HA . 16 GLN HA 1 1 77 1 1 1 1 9 ASP HA . 9 ASP HA 1 1 77 1 2 1 1 10 CYS H . 10 CYS- H 1 1 78 1 1 1 1 9 ASP HA . 9 ASP HA 1 1 78 1 2 1 1 16 GLN HA . 16 GLN HA 1 1 79 1 1 1 1 9 ASP HA . 9 ASP HA 1 1 79 1 2 1 1 17 ASN H . 17 ASN H 1 1 80 1 1 1 1 9 ASP HA . 9 ASP HA 1 1 80 1 2 1 1 17 ASN QD . 17 ASN QD2 1 1 81 1 1 1 1 9 ASP HB2 . 9 ASP HB2 1 1 81 1 2 1 1 10 CYS H . 10 CYS- H 1 1 82 1 1 1 1 9 ASP HB3 . 9 ASP HB3 1 1 82 1 2 1 1 10 CYS H . 10 CYS- H 1 1 83 1 1 1 1 10 CYS H . 10 CYS- H 1 1 83 1 2 1 1 10 CYS HB2 . 10 CYS- HB2 1 1 84 1 1 1 1 10 CYS H . 10 CYS- H 1 1 84 1 2 1 1 10 CYS HB3 . 10 CYS- HB3 1 1 85 1 1 1 1 10 CYS H . 10 CYS- H 1 1 85 1 2 1 1 11 ASP H . 11 ASP H 1 1 86 1 1 1 1 10 CYS H . 10 CYS- H 1 1 86 1 2 1 1 14 LEU H . 14 LEU H 1 1 87 1 1 1 1 10 CYS H . 10 CYS- H 1 1 87 1 2 1 1 14 LEU HA . 14 LEU HA 1 1 88 1 1 1 1 10 CYS H . 10 CYS- H 1 1 88 1 2 1 1 15 VAL H . 15 VAL H 1 1 89 1 1 1 1 10 CYS H . 10 CYS- H 1 1 89 1 2 1 1 17 ASN QD . 17 ASN QD2 1 1 90 1 1 1 1 10 CYS HA . 10 CYS- HA 1 1 90 1 2 1 1 11 ASP H . 11 ASP H 1 1 91 1 1 1 1 10 CYS HA . 10 CYS- HA 1 1 91 1 2 1 1 12 THR H . 12 THR H 1 1 92 1 1 1 1 10 CYS HA . 10 CYS- HA 1 1 92 1 2 1 1 17 ASN QD . 17 ASN QD2 1 1 93 1 1 1 1 10 CYS HB2 . 10 CYS- HB2 1 1 93 1 2 1 1 13 CYS H . 13 CYS- H 1 1 94 1 1 1 1 10 CYS HB2 . 10 CYS- HB2 1 1 94 1 2 1 1 14 LEU H . 14 LEU H 1 1 95 1 1 1 1 10 CYS HB2 . 10 CYS- HB2 1 1 95 1 2 1 1 15 VAL H . 15 VAL H 1 1 96 1 1 1 1 10 CYS HB2 . 10 CYS- HB2 1 1 96 1 2 1 1 17 ASN QD . 17 ASN QD2 1 1 97 1 1 1 1 10 CYS HB2 . 10 CYS- HB2 1 1 97 1 2 1 1 24 CYS HB2 . 24 CYS- HB2 1 1 98 1 1 1 1 10 CYS HB3 . 10 CYS- HB3 1 1 98 1 2 1 1 12 THR H . 12 THR H 1 1 99 1 1 1 1 10 CYS HB3 . 10 CYS- HB3 1 1 99 1 2 1 1 13 CYS H . 13 CYS- H 1 1 100 1 1 1 1 10 CYS HB3 . 10 CYS- HB3 1 1 100 1 2 1 1 14 LEU H . 14 LEU H 1 1 101 1 1 1 1 10 CYS HB3 . 10 CYS- HB3 1 1 101 1 2 1 1 14 LEU HA . 14 LEU HA 1 1 102 1 1 1 1 10 CYS HB3 . 10 CYS- HB3 1 1 102 1 2 1 1 15 VAL H . 15 VAL H 1 1 103 1 1 1 1 10 CYS HB3 . 10 CYS- HB3 1 1 103 1 2 1 1 15 VAL HB . 15 VAL HB 1 1 104 1 1 1 1 10 CYS HB3 . 10 CYS- HB3 1 1 104 1 2 1 1 15 VAL QG . 15 VAL QQG 1 1 105 1 1 1 1 11 ASP H . 11 ASP H 1 1 105 1 2 1 1 11 ASP HB2 . 11 ASP HB2 1 1 106 1 1 1 1 11 ASP H . 11 ASP H 1 1 106 1 2 1 1 11 ASP QB . 11 ASP QB 1 1 107 1 1 1 1 11 ASP H . 11 ASP H 1 1 107 1 2 1 1 11 ASP HB3 . 11 ASP HB3 1 1 108 1 1 1 1 11 ASP H . 11 ASP H 1 1 108 1 2 1 1 12 THR H . 12 THR H 1 1 109 1 1 1 1 11 ASP H . 11 ASP H 1 1 109 1 2 1 1 12 THR HA . 12 THR HA 1 1 110 1 1 1 1 11 ASP H . 11 ASP H 1 1 110 1 2 1 1 12 THR HB . 12 THR HB 1 1 111 1 1 1 1 11 ASP HA . 11 ASP HA 1 1 111 1 2 1 1 14 LEU H . 14 LEU H 1 1 112 1 1 1 1 11 ASP HA . 11 ASP HA 1 1 112 1 2 1 1 14 LEU QD . 14 LEU QQD 1 1 113 1 1 1 1 11 ASP QB . 11 ASP QB 1 1 113 1 2 1 1 12 THR H . 12 THR H 1 1 114 1 1 1 1 11 ASP HB2 . 11 ASP HB2 1 1 114 1 2 1 1 12 THR H . 12 THR H 1 1 115 1 1 1 1 11 ASP HB3 . 11 ASP HB3 1 1 115 1 2 1 1 12 THR H . 12 THR H 1 1 116 1 1 1 1 12 THR H . 12 THR H 1 1 116 1 2 1 1 12 THR HB . 12 THR HB 1 1 117 1 1 1 1 12 THR H . 12 THR H 1 1 117 1 2 1 1 12 THR MG . 12 THR QG2 1 1 118 1 1 1 1 12 THR H . 12 THR H 1 1 118 1 2 1 1 13 CYS H . 13 CYS- H 1 1 119 1 1 1 1 12 THR H . 12 THR H 1 1 119 1 2 1 1 14 LEU H . 14 LEU H 1 1 120 1 1 1 1 12 THR HA . 12 THR HA 1 1 120 1 2 1 1 12 THR MG . 12 THR QG2 1 1 121 1 1 1 1 12 THR HB . 12 THR HB 1 1 121 1 2 1 1 13 CYS H . 13 CYS- H 1 1 122 1 1 1 1 12 THR MG . 12 THR QG2 1 1 122 1 2 1 1 13 CYS H . 13 CYS- H 1 1 123 1 1 1 1 12 THR MG . 12 THR QG2 1 1 123 1 2 1 1 13 CYS HA . 13 CYS- HA 1 1 124 1 1 1 1 12 THR MG . 12 THR QG2 1 1 124 1 2 1 1 13 CYS HB2 . 13 CYS- HB2 1 1 125 1 1 1 1 12 THR MG . 12 THR QG2 1 1 125 1 2 1 1 13 CYS QB . 13 CYS- QB 1 1 126 1 1 1 1 12 THR MG . 12 THR QG2 1 1 126 1 2 1 1 13 CYS HB3 . 13 CYS- HB3 1 1 127 1 1 1 1 13 CYS H . 13 CYS- H 1 1 127 1 2 1 1 13 CYS QB . 13 CYS- QB 1 1 128 1 1 1 1 13 CYS H . 13 CYS- H 1 1 128 1 2 1 1 14 LEU H . 14 LEU H 1 1 129 1 1 1 1 13 CYS H . 13 CYS- H 1 1 129 1 2 1 1 27 CYS HB3 . 27 CYS- HB3 1 1 130 1 1 1 1 13 CYS HA . 13 CYS- HA 1 1 130 1 2 1 1 14 LEU QD . 14 LEU QQD 1 1 131 1 1 1 1 14 LEU H . 14 LEU H 1 1 131 1 2 1 1 14 LEU HA . 14 LEU HA 1 1 132 1 1 1 1 14 LEU H . 14 LEU H 1 1 132 1 2 1 1 14 LEU HB2 . 14 LEU HB2 1 1 133 1 1 1 1 14 LEU H . 14 LEU H 1 1 133 1 2 1 1 14 LEU HB3 . 14 LEU HB3 1 1 134 1 1 1 1 14 LEU H . 14 LEU H 1 1 134 1 2 1 1 14 LEU QD . 14 LEU QQD 1 1 135 1 1 1 1 14 LEU H . 14 LEU H 1 1 135 1 2 1 1 14 LEU HG . 14 LEU HG 1 1 136 1 1 1 1 14 LEU H . 14 LEU H 1 1 136 1 2 1 1 15 VAL H . 15 VAL H 1 1 137 1 1 1 1 14 LEU HA . 14 LEU HA 1 1 137 1 2 1 1 14 LEU MD1 . 14 LEU QD1 1 1 138 1 1 1 1 14 LEU HA . 14 LEU HA 1 1 138 1 2 1 1 14 LEU QD . 14 LEU QQD 1 1 139 1 1 1 1 14 LEU HA . 14 LEU HA 1 1 139 1 2 1 1 14 LEU MD2 . 14 LEU QD2 1 1 140 1 1 1 1 14 LEU HA . 14 LEU HA 1 1 140 1 2 1 1 14 LEU HG . 14 LEU HG 1 1 141 1 1 1 1 14 LEU QB . 14 LEU QB 1 1 141 1 2 1 1 14 LEU QD . 14 LEU QQD 1 1 142 1 1 1 1 15 VAL H . 15 VAL H 1 1 142 1 2 1 1 15 VAL HB . 15 VAL HB 1 1 143 1 1 1 1 15 VAL H . 15 VAL H 1 1 143 1 2 1 1 15 VAL MG1 . 15 VAL QG1 1 1 144 1 1 1 1 15 VAL H . 15 VAL H 1 1 144 1 2 1 1 15 VAL QG . 15 VAL QQG 1 1 145 1 1 1 1 15 VAL H . 15 VAL H 1 1 145 1 2 1 1 15 VAL MG2 . 15 VAL QG2 1 1 146 1 1 1 1 15 VAL HA . 15 VAL HA 1 1 146 1 2 1 1 15 VAL MG1 . 15 VAL QG1 1 1 147 1 1 1 1 15 VAL HA . 15 VAL HA 1 1 147 1 2 1 1 15 VAL QG . 15 VAL QQG 1 1 148 1 1 1 1 15 VAL HA . 15 VAL HA 1 1 148 1 2 1 1 15 VAL MG2 . 15 VAL QG2 1 1 149 1 1 1 1 15 VAL HA . 15 VAL HA 1 1 149 1 2 1 1 16 GLN H . 16 GLN H 1 1 150 1 1 1 1 15 VAL HB . 15 VAL HB 1 1 150 1 2 1 1 16 GLN H . 16 GLN H 1 1 151 1 1 1 1 15 VAL QG . 15 VAL QQG 1 1 151 1 2 1 1 16 GLN H . 16 GLN H 1 1 152 1 1 1 1 15 VAL QG . 15 VAL QQG 1 1 152 1 2 1 1 16 GLN HB2 . 16 GLN HB2 1 1 153 1 1 1 1 15 VAL QG . 15 VAL QQG 1 1 153 1 2 1 1 17 ASN QD . 17 ASN QD2 1 1 154 1 1 1 1 15 VAL QG . 15 VAL QQG 1 1 154 1 2 1 1 25 VAL H . 25 VAL H 1 1 155 1 1 1 1 15 VAL QG . 15 VAL QQG 1 1 155 1 2 1 1 25 VAL QG . 25 VAL QQG 1 1 156 1 1 1 1 15 VAL QG . 15 VAL QQG 1 1 156 1 2 1 1 26 ALA H . 26 ALA H 1 1 157 1 1 1 1 15 VAL QG . 15 VAL QQG 1 1 157 1 2 1 1 26 ALA MB . 26 ALA QB 1 1 158 1 1 1 1 15 VAL MG1 . 15 VAL QG1 1 1 158 1 2 1 1 16 GLN H . 16 GLN H 1 1 159 1 1 1 1 15 VAL MG1 . 15 VAL QG1 1 1 159 1 2 1 1 26 ALA MB . 26 ALA QB 1 1 160 1 1 1 1 15 VAL MG2 . 15 VAL QG2 1 1 160 1 2 1 1 16 GLN H . 16 GLN H 1 1 161 1 1 1 1 15 VAL MG2 . 15 VAL QG2 1 1 161 1 2 1 1 26 ALA MB . 26 ALA QB 1 1 162 1 1 1 1 16 GLN H . 16 GLN H 1 1 162 1 2 1 1 16 GLN HB2 . 16 GLN HB2 1 1 163 1 1 1 1 16 GLN H . 16 GLN H 1 1 163 1 2 1 1 16 GLN HB3 . 16 GLN HB3 1 1 164 1 1 1 1 16 GLN H . 16 GLN H 1 1 164 1 2 1 1 16 GLN QG . 16 GLN QG 1 1 165 1 1 1 1 16 GLN HA . 16 GLN HA 1 1 165 1 2 1 1 16 GLN QG . 16 GLN QG 1 1 166 1 1 1 1 16 GLN HA . 16 GLN HA 1 1 166 1 2 1 1 17 ASN H . 17 ASN H 1 1 167 1 1 1 1 16 GLN HB2 . 16 GLN HB2 1 1 167 1 2 1 1 17 ASN H . 17 ASN H 1 1 168 1 1 1 1 16 GLN QG . 16 GLN QG 1 1 168 1 2 1 1 17 ASN H . 17 ASN H 1 1 169 1 1 1 1 17 ASN H . 17 ASN H 1 1 169 1 2 1 1 17 ASN HB2 . 17 ASN HB2 1 1 170 1 1 1 1 17 ASN H . 17 ASN H 1 1 170 1 2 1 1 17 ASN HB3 . 17 ASN HB3 1 1 171 1 1 1 1 17 ASN H . 17 ASN H 1 1 171 1 2 1 1 18 LYS HA . 18 LYS HA 1 1 172 1 1 1 1 17 ASN HA . 17 ASN HA 1 1 172 1 2 1 1 18 LYS H . 18 LYS H 1 1 173 1 1 1 1 17 ASN HB2 . 17 ASN HB2 1 1 173 1 2 1 1 18 LYS H . 18 LYS H 1 1 174 1 1 1 1 17 ASN HB2 . 17 ASN HB2 1 1 174 1 2 1 1 21 ALA MB . 21 ALA QB 1 1 175 1 1 1 1 17 ASN HB3 . 17 ASN HB3 1 1 175 1 2 1 1 18 LYS H . 18 LYS H 1 1 176 1 1 1 1 17 ASN HB3 . 17 ASN HB3 1 1 176 1 2 1 1 18 LYS QB . 18 LYS HB3 1 1 177 1 1 1 1 17 ASN HB3 . 17 ASN HB3 1 1 177 1 2 1 1 21 ALA MB . 21 ALA QB 1 1 178 1 1 1 1 17 ASN QD . 17 ASN QD2 1 1 178 1 2 1 1 24 CYS HA . 24 CYS- HA 1 1 179 1 1 1 1 17 ASN QD . 17 ASN QD2 1 1 179 1 2 1 1 24 CYS HB2 . 24 CYS- HB2 1 1 180 1 1 1 1 17 ASN QD . 17 ASN QD2 1 1 180 1 2 1 1 25 VAL H . 25 VAL H 1 1 181 1 1 1 1 17 ASN QD . 17 ASN QD2 1 1 181 1 2 1 1 26 ALA H . 26 ALA H 1 1 182 1 1 1 1 18 LYS H . 18 LYS H 1 1 182 1 2 1 1 18 LYS QB . 18 LYS HB2 1 1 183 1 1 1 1 18 LYS H . 18 LYS H 1 1 183 1 2 1 1 18 LYS HG2 . 18 LYS HG2 1 1 184 1 1 1 1 18 LYS H . 18 LYS H 1 1 184 1 2 1 1 18 LYS HG3 . 18 LYS HG3 1 1 185 1 1 1 1 18 LYS H . 18 LYS H 1 1 185 1 2 1 1 19 PRO HD2 . 19 PRO HD2 1 1 186 1 1 1 1 18 LYS H . 18 LYS H 1 1 186 1 2 1 1 21 ALA H . 21 ALA H 1 1 187 1 1 1 1 18 LYS H . 18 LYS H 1 1 187 1 2 1 1 21 ALA MB . 21 ALA QB 1 1 188 1 1 1 1 18 LYS HA . 18 LYS HA 1 1 188 1 2 1 1 18 LYS HG2 . 18 LYS HG2 1 1 189 1 1 1 1 18 LYS HA . 18 LYS HA 1 1 189 1 2 1 1 19 PRO HD2 . 19 PRO HD2 1 1 190 1 1 1 1 18 LYS HA . 18 LYS HA 1 1 190 1 2 1 1 19 PRO HD3 . 19 PRO HD3 1 1 191 1 1 1 1 18 LYS QB . 18 LYS HB2 1 1 191 1 2 1 1 19 PRO HD2 . 19 PRO HD2 1 1 192 1 1 1 1 18 LYS QB . 18 LYS HB3 1 1 192 1 2 1 1 20 GLU H . 20 GLU H 1 1 193 1 1 1 1 18 LYS QD . 18 LYS QD 1 1 193 1 2 1 1 19 PRO QG . 19 PRO HG2 1 1 194 1 1 1 1 18 LYS QE . 18 LYS QE 1 1 194 1 2 1 1 18 LYS HG3 . 18 LYS HG3 1 1 195 1 1 1 1 18 LYS HG2 . 18 LYS HG2 1 1 195 1 2 1 1 20 GLU QG . 20 GLU QG 1 1 196 1 1 1 1 18 LYS HG2 . 18 LYS HG2 1 1 196 1 2 1 1 21 ALA H . 21 ALA H 1 1 197 1 1 1 1 18 LYS HG2 . 18 LYS HG2 1 1 197 1 2 1 1 21 ALA MB . 21 ALA QB 1 1 198 1 1 1 1 18 LYS HG3 . 18 LYS HG3 1 1 198 1 2 1 1 19 PRO QG . 19 PRO HG2 1 1 199 1 1 1 1 19 PRO HA . 19 PRO HA 1 1 199 1 2 1 1 21 ALA H . 21 ALA H 1 1 200 1 1 1 1 19 PRO QB . 19 PRO HB3 1 1 200 1 2 1 1 20 GLU H . 20 GLU H 1 1 201 1 1 1 1 19 PRO HD2 . 19 PRO HD2 1 1 201 1 2 1 1 20 GLU H . 20 GLU H 1 1 202 1 1 1 1 19 PRO QG . 19 PRO HG2 1 1 202 1 2 1 1 20 GLU H . 20 GLU H 1 1 203 1 1 1 1 20 GLU H . 20 GLU H 1 1 203 1 2 1 1 20 GLU QB . 20 GLU QB 1 1 204 1 1 1 1 20 GLU H . 20 GLU H 1 1 204 1 2 1 1 20 GLU QG . 20 GLU QG 1 1 205 1 1 1 1 20 GLU H . 20 GLU H 1 1 205 1 2 1 1 21 ALA H . 21 ALA H 1 1 206 1 1 1 1 20 GLU H . 20 GLU H 1 1 206 1 2 1 1 21 ALA MB . 21 ALA QB 1 1 207 1 1 1 1 20 GLU HA . 20 GLU HA 1 1 207 1 2 1 1 20 GLU QG . 20 GLU QG 1 1 208 1 1 1 1 20 GLU QB . 20 GLU QB 1 1 208 1 2 1 1 20 GLU QG . 20 GLU QG 1 1 209 1 1 1 1 20 GLU QB . 20 GLU QB 1 1 209 1 2 1 1 21 ALA H . 21 ALA H 1 1 210 1 1 1 1 20 GLU QG . 20 GLU QG 1 1 210 1 2 1 1 21 ALA H . 21 ALA H 1 1 211 1 1 1 1 21 ALA H . 21 ALA H 1 1 211 1 2 1 1 21 ALA MB . 21 ALA QB 1 1 212 1 1 1 1 21 ALA HA . 21 ALA HA 1 1 212 1 2 1 1 22 ILE H . 22 ILE H 1 1 213 1 1 1 1 21 ALA HA . 21 ALA HA 1 1 213 1 2 1 1 23 LYS H . 23 LYS H 1 1 214 1 1 1 1 21 ALA MB . 21 ALA QB 1 1 214 1 2 1 1 22 ILE H . 22 ILE H 1 1 215 1 1 1 1 21 ALA MB . 21 ALA QB 1 1 215 1 2 1 1 23 LYS H . 23 LYS H 1 1 216 1 1 1 1 22 ILE H . 22 ILE H 1 1 216 1 2 1 1 22 ILE HG12 . 22 ILE HG12 1 1 217 1 1 1 1 22 ILE H . 22 ILE H 1 1 217 1 2 1 1 22 ILE QG . 22 ILE QG1 1 1 218 1 1 1 1 22 ILE H . 22 ILE H 1 1 218 1 2 1 1 22 ILE HG13 . 22 ILE HG13 1 1 219 1 1 1 1 22 ILE H . 22 ILE H 1 1 219 1 2 1 1 22 ILE MG . 22 ILE QG2 1 1 220 1 1 1 1 22 ILE H . 22 ILE H 1 1 220 1 2 1 1 23 LYS H . 23 LYS H 1 1 221 1 1 1 1 22 ILE HA . 22 ILE HA 1 1 221 1 2 1 1 22 ILE MG . 22 ILE QG2 1 1 222 1 1 1 1 22 ILE HA . 22 ILE HA 1 1 222 1 2 1 1 31 LYS HB2 . 31 LYS HB2 1 1 223 1 1 1 1 22 ILE HA . 22 ILE HA 1 1 223 1 2 1 1 31 LYS QD . 31 LYS QD 1 1 224 1 1 1 1 22 ILE HB . 22 ILE HB 1 1 224 1 2 1 1 22 ILE MD . 22 ILE QD1 1 1 225 1 1 1 1 22 ILE HB . 22 ILE HB 1 1 225 1 2 1 1 23 LYS H . 23 LYS H 1 1 226 1 1 1 1 22 ILE HB . 22 ILE HB 1 1 226 1 2 1 1 23 LYS QG . 23 LYS HG2 1 1 227 1 1 1 1 22 ILE QG . 22 ILE QG1 1 1 227 1 2 1 1 22 ILE MG . 22 ILE QG2 1 1 228 1 1 1 1 22 ILE MG . 22 ILE QG2 1 1 228 1 2 1 1 23 LYS H . 23 LYS H 1 1 229 1 1 1 1 22 ILE MG . 22 ILE QG2 1 1 229 1 2 1 1 23 LYS QG . 23 LYS QG 1 1 230 1 1 1 1 23 LYS H . 23 LYS H 1 1 230 1 2 1 1 23 LYS HB2 . 23 LYS HB2 1 1 231 1 1 1 1 23 LYS H . 23 LYS H 1 1 231 1 2 1 1 23 LYS HB3 . 23 LYS HB3 1 1 232 1 1 1 1 23 LYS H . 23 LYS H 1 1 232 1 2 1 1 23 LYS QG . 23 LYS QG 1 1 233 1 1 1 1 23 LYS H . 23 LYS H 1 1 233 1 2 1 1 24 CYS H . 24 CYS- H 1 1 234 1 1 1 1 23 LYS H . 23 LYS H 1 1 234 1 2 1 1 31 LYS H . 31 LYS H 1 1 235 1 1 1 1 23 LYS H . 23 LYS H 1 1 235 1 2 1 1 31 LYS HB2 . 31 LYS HB2 1 1 236 1 1 1 1 23 LYS HA . 23 LYS HA 1 1 236 1 2 1 1 24 CYS H . 24 CYS- H 1 1 237 1 1 1 1 23 LYS HA . 23 LYS HA 1 1 237 1 2 1 1 30 PRO HA . 30 PRO HA 1 1 238 1 1 1 1 23 LYS HA . 23 LYS HA 1 1 238 1 2 1 1 31 LYS H . 31 LYS H 1 1 239 1 1 1 1 23 LYS HB2 . 23 LYS HB2 1 1 239 1 2 1 1 24 CYS H . 24 CYS- H 1 1 240 1 1 1 1 23 LYS HB2 . 23 LYS HB2 1 1 240 1 2 1 1 28 GLU H . 28 GLU H 1 1 241 1 1 1 1 23 LYS HB2 . 23 LYS HB2 1 1 241 1 2 1 1 30 PRO HA . 30 PRO HA 1 1 242 1 1 1 1 23 LYS HB2 . 23 LYS HB2 1 1 242 1 2 1 1 31 LYS H . 31 LYS H 1 1 243 1 1 1 1 23 LYS HB3 . 23 LYS HB3 1 1 243 1 2 1 1 24 CYS H . 24 CYS- H 1 1 244 1 1 1 1 23 LYS HB3 . 23 LYS HB3 1 1 244 1 2 1 1 28 GLU HA . 28 GLU HA 1 1 245 1 1 1 1 23 LYS HB3 . 23 LYS HB3 1 1 245 1 2 1 1 30 PRO HA . 30 PRO HA 1 1 246 1 1 1 1 23 LYS HB3 . 23 LYS HB3 1 1 246 1 2 1 1 31 LYS H . 31 LYS H 1 1 247 1 1 1 1 23 LYS QD . 23 LYS QD 1 1 247 1 2 1 1 28 GLU HA . 28 GLU HA 1 1 248 1 1 1 1 23 LYS QD . 23 LYS QD 1 1 248 1 2 1 1 28 GLU HB2 . 28 GLU HB2 1 1 249 1 1 1 1 23 LYS QD . 23 LYS QD 1 1 249 1 2 1 1 28 GLU HB3 . 28 GLU HB3 1 1 250 1 1 1 1 23 LYS QE . 23 LYS QE 1 1 250 1 2 1 1 28 GLU HB3 . 28 GLU HB3 1 1 251 1 1 1 1 23 LYS QG . 23 LYS QG 1 1 251 1 2 1 1 24 CYS H . 24 CYS- H 1 1 252 1 1 1 1 23 LYS QG . 23 LYS QG 1 1 252 1 2 1 1 28 GLU HA . 28 GLU HA 1 1 253 1 1 1 1 23 LYS QG . 23 LYS QG 1 1 253 1 2 1 1 28 GLU HB3 . 28 GLU HB3 1 1 254 1 1 1 1 24 CYS H . 24 CYS- H 1 1 254 1 2 1 1 24 CYS HB2 . 24 CYS- HB2 1 1 255 1 1 1 1 24 CYS H . 24 CYS- H 1 1 255 1 2 1 1 24 CYS HB3 . 24 CYS- HB3 1 1 256 1 1 1 1 24 CYS H . 24 CYS- H 1 1 256 1 2 1 1 28 GLU H . 28 GLU H 1 1 257 1 1 1 1 24 CYS H . 24 CYS- H 1 1 257 1 2 1 1 28 GLU HA . 28 GLU HA 1 1 258 1 1 1 1 24 CYS H . 24 CYS- H 1 1 258 1 2 1 1 29 THR HA . 29 THR HA 1 1 259 1 1 1 1 24 CYS H . 24 CYS- H 1 1 259 1 2 1 1 29 THR MG . 29 THR QG2 1 1 260 1 1 1 1 24 CYS H . 24 CYS- H 1 1 260 1 2 1 1 31 LYS H . 31 LYS H 1 1 261 1 1 1 1 24 CYS HA . 24 CYS- HA 1 1 261 1 2 1 1 25 VAL H . 25 VAL H 1 1 262 1 1 1 1 24 CYS HA . 24 CYS- HA 1 1 262 1 2 1 1 25 VAL QG . 25 VAL QQG 1 1 263 1 1 1 1 24 CYS HA . 24 CYS- HA 1 1 263 1 2 1 1 26 ALA H . 26 ALA H 1 1 264 1 1 1 1 24 CYS HB2 . 24 CYS- HB2 1 1 264 1 2 1 1 25 VAL H . 25 VAL H 1 1 265 1 1 1 1 24 CYS HB2 . 24 CYS- HB2 1 1 265 1 2 1 1 26 ALA H . 26 ALA H 1 1 266 1 1 1 1 24 CYS HB2 . 24 CYS- HB2 1 1 266 1 2 1 1 27 CYS H . 27 CYS- H 1 1 267 1 1 1 1 24 CYS HB2 . 24 CYS- HB2 1 1 267 1 2 1 1 28 GLU H . 28 GLU H 1 1 268 1 1 1 1 24 CYS HB2 . 24 CYS- HB2 1 1 268 1 2 1 1 29 THR H . 29 THR H 1 1 269 1 1 1 1 24 CYS HB2 . 24 CYS- HB2 1 1 269 1 2 1 1 29 THR HB . 29 THR HB 1 1 270 1 1 1 1 24 CYS HB3 . 24 CYS- HB3 1 1 270 1 2 1 1 25 VAL H . 25 VAL H 1 1 271 1 1 1 1 24 CYS HB3 . 24 CYS- HB3 1 1 271 1 2 1 1 26 ALA H . 26 ALA H 1 1 272 1 1 1 1 24 CYS HB3 . 24 CYS- HB3 1 1 272 1 2 1 1 27 CYS H . 27 CYS- H 1 1 273 1 1 1 1 24 CYS HB3 . 24 CYS- HB3 1 1 273 1 2 1 1 28 GLU H . 28 GLU H 1 1 274 1 1 1 1 24 CYS HB3 . 24 CYS- HB3 1 1 274 1 2 1 1 28 GLU HA . 28 GLU HA 1 1 275 1 1 1 1 24 CYS HB3 . 24 CYS- HB3 1 1 275 1 2 1 1 29 THR H . 29 THR H 1 1 276 1 1 1 1 24 CYS HB3 . 24 CYS- HB3 1 1 276 1 2 1 1 29 THR HB . 29 THR HB 1 1 277 1 1 1 1 25 VAL H . 25 VAL H 1 1 277 1 2 1 1 25 VAL HB . 25 VAL HB 1 1 278 1 1 1 1 25 VAL H . 25 VAL H 1 1 278 1 2 1 1 25 VAL MG1 . 25 VAL QG1 1 1 279 1 1 1 1 25 VAL H . 25 VAL H 1 1 279 1 2 1 1 25 VAL QG . 25 VAL QQG 1 1 280 1 1 1 1 25 VAL H . 25 VAL H 1 1 280 1 2 1 1 25 VAL MG2 . 25 VAL QG2 1 1 281 1 1 1 1 25 VAL H . 25 VAL H 1 1 281 1 2 1 1 26 ALA H . 26 ALA H 1 1 282 1 1 1 1 25 VAL H . 25 VAL H 1 1 282 1 2 1 1 27 CYS H . 27 CYS- H 1 1 283 1 1 1 1 25 VAL HA . 25 VAL HA 1 1 283 1 2 1 1 25 VAL MG1 . 25 VAL QG1 1 1 284 1 1 1 1 25 VAL HA . 25 VAL HA 1 1 284 1 2 1 1 25 VAL QG . 25 VAL QQG 1 1 285 1 1 1 1 25 VAL HA . 25 VAL HA 1 1 285 1 2 1 1 25 VAL MG2 . 25 VAL QG2 1 1 286 1 1 1 1 25 VAL HB . 25 VAL HB 1 1 286 1 2 1 1 26 ALA H . 26 ALA H 1 1 287 1 1 1 1 25 VAL QG . 25 VAL QQG 1 1 287 1 2 1 1 26 ALA H . 26 ALA H 1 1 288 1 1 1 1 25 VAL MG1 . 25 VAL QG1 1 1 288 1 2 1 1 26 ALA H . 26 ALA H 1 1 289 1 1 1 1 25 VAL MG2 . 25 VAL QG2 1 1 289 1 2 1 1 26 ALA H . 26 ALA H 1 1 290 1 1 1 1 26 ALA H . 26 ALA H 1 1 290 1 2 1 1 26 ALA MB . 26 ALA QB 1 1 291 1 1 1 1 26 ALA H . 26 ALA H 1 1 291 1 2 1 1 27 CYS H . 27 CYS- H 1 1 292 1 1 1 1 26 ALA H . 26 ALA H 1 1 292 1 2 1 1 28 GLU H . 28 GLU H 1 1 293 1 1 1 1 26 ALA H . 26 ALA H 1 1 293 1 2 1 1 28 GLU HA . 28 GLU HA 1 1 294 1 1 1 1 26 ALA HA . 26 ALA HA 1 1 294 1 2 1 1 27 CYS HB3 . 27 CYS- HB3 1 1 295 1 1 1 1 26 ALA MB . 26 ALA QB 1 1 295 1 2 1 1 27 CYS H . 27 CYS- H 1 1 296 1 1 1 1 26 ALA MB . 26 ALA QB 1 1 296 1 2 1 1 27 CYS HB3 . 27 CYS- HB3 1 1 297 1 1 1 1 26 ALA MB . 26 ALA QB 1 1 297 1 2 1 1 28 GLU H . 28 GLU H 1 1 298 1 1 1 1 27 CYS H . 27 CYS- H 1 1 298 1 2 1 1 27 CYS HB2 . 27 CYS- HB2 1 1 299 1 1 1 1 27 CYS H . 27 CYS- H 1 1 299 1 2 1 1 27 CYS HB3 . 27 CYS- HB3 1 1 300 1 1 1 1 27 CYS H . 27 CYS- H 1 1 300 1 2 1 1 28 GLU H . 28 GLU H 1 1 301 1 1 1 1 27 CYS H . 27 CYS- H 1 1 301 1 2 1 1 28 GLU HA . 28 GLU HA 1 1 302 1 1 1 1 27 CYS H . 27 CYS- H 1 1 302 1 2 1 1 29 THR H . 29 THR H 1 1 303 1 1 1 1 27 CYS HB3 . 27 CYS- HB3 1 1 303 1 2 1 1 29 THR H . 29 THR H 1 1 304 1 1 1 1 28 GLU H . 28 GLU H 1 1 304 1 2 1 1 28 GLU HA . 28 GLU HA 1 1 305 1 1 1 1 28 GLU H . 28 GLU H 1 1 305 1 2 1 1 28 GLU QG . 28 GLU QG 1 1 306 1 1 1 1 28 GLU H . 28 GLU H 1 1 306 1 2 1 1 29 THR H . 29 THR H 1 1 307 1 1 1 1 28 GLU HA . 28 GLU HA 1 1 307 1 2 1 1 28 GLU HG2 . 28 GLU HG2 1 1 308 1 1 1 1 28 GLU HA . 28 GLU HA 1 1 308 1 2 1 1 28 GLU QG . 28 GLU QG 1 1 309 1 1 1 1 28 GLU HA . 28 GLU HA 1 1 309 1 2 1 1 28 GLU HG3 . 28 GLU HG3 1 1 310 1 1 1 1 28 GLU HB3 . 28 GLU HB3 1 1 310 1 2 1 1 29 THR H . 29 THR H 1 1 311 1 1 1 1 28 GLU QG . 28 GLU QG 1 1 311 1 2 1 1 29 THR H . 29 THR H 1 1 312 1 1 1 1 29 THR H . 29 THR H 1 1 312 1 2 1 1 29 THR HB . 29 THR HB 1 1 313 1 1 1 1 29 THR H . 29 THR H 1 1 313 1 2 1 1 29 THR MG . 29 THR QG2 1 1 314 1 1 1 1 29 THR HA . 29 THR HA 1 1 314 1 2 1 1 29 THR MG . 29 THR QG2 1 1 315 1 1 1 1 29 THR HA . 29 THR HA 1 1 315 1 2 1 1 30 PRO HD2 . 30 PRO HD2 1 1 316 1 1 1 1 29 THR HA . 29 THR HA 1 1 316 1 2 1 1 30 PRO QD . 30 PRO QD 1 1 317 1 1 1 1 29 THR HA . 29 THR HA 1 1 317 1 2 1 1 30 PRO HD3 . 30 PRO HD3 1 1 318 1 1 1 1 29 THR MG . 29 THR QG2 1 1 318 1 2 1 1 30 PRO QD . 30 PRO QD 1 1 319 1 1 1 1 30 PRO HA . 30 PRO HA 1 1 319 1 2 1 1 31 LYS H . 31 LYS H 1 1 320 1 1 1 1 30 PRO QB . 30 PRO QB 1 1 320 1 2 1 1 31 LYS H . 31 LYS H 1 1 321 1 1 1 1 30 PRO HB2 . 30 PRO HB2 1 1 321 1 2 1 1 31 LYS H . 31 LYS H 1 1 322 1 1 1 1 30 PRO HB3 . 30 PRO HB3 1 1 322 1 2 1 1 31 LYS H . 31 LYS H 1 1 323 1 1 1 1 30 PRO QD . 30 PRO QD 1 1 323 1 2 1 1 31 LYS H . 31 LYS H 1 1 324 1 1 1 1 31 LYS H . 31 LYS H 1 1 324 1 2 1 1 31 LYS HB2 . 31 LYS HB2 1 1 325 1 1 1 1 31 LYS H . 31 LYS H 1 1 325 1 2 1 1 31 LYS HB3 . 31 LYS HB3 1 1 326 1 1 1 1 31 LYS HA . 31 LYS HA 1 1 326 1 2 1 1 31 LYS HG2 . 31 LYS HG2 1 1 327 1 1 1 1 31 LYS HA . 31 LYS HA 1 1 327 1 2 1 1 31 LYS HG3 . 31 LYS HG3 1 1 328 1 1 1 1 31 LYS HA . 31 LYS HA 1 1 328 1 2 1 1 32 PRO HD2 . 32 PRO HD2 1 1 329 1 1 1 1 31 LYS HA . 31 LYS HA 1 1 329 1 2 1 1 32 PRO QD . 32 PRO QD 1 1 330 1 1 1 1 31 LYS HA . 31 LYS HA 1 1 330 1 2 1 1 32 PRO HD3 . 32 PRO HD3 1 1 331 1 1 1 1 31 LYS HA . 31 LYS HA 1 1 331 1 2 1 1 32 PRO QG . 32 PRO QG 1 1 332 1 1 1 1 31 LYS HB2 . 31 LYS HB2 1 1 332 1 2 1 1 31 LYS QE . 31 LYS QE 1 1 333 1 1 1 1 31 LYS HB2 . 31 LYS HB2 1 1 333 1 2 1 1 32 PRO QD . 32 PRO QD 1 1 334 1 1 1 1 31 LYS QE . 31 LYS QE 1 1 334 1 2 1 1 31 LYS HG2 . 31 LYS HG2 1 1 335 1 1 1 1 31 LYS HE2 . 31 LYS HE2 1 1 335 1 2 1 1 31 LYS HG3 . 31 LYS HG3 1 1 336 1 1 1 1 31 LYS HE3 . 31 LYS HE3 1 1 336 1 2 1 1 31 LYS HG3 . 31 LYS HG3 1 1 337 1 1 1 1 31 LYS HG2 . 31 LYS HG2 1 1 337 1 2 1 1 32 PRO QD . 32 PRO QD 1 1 338 1 1 1 1 31 LYS HG2 . 31 LYS HG2 1 1 338 1 2 1 1 32 PRO QG . 32 PRO QG 1 1 339 1 1 1 1 31 LYS HG3 . 31 LYS HG3 1 1 339 1 2 1 1 32 PRO HD2 . 32 PRO HD2 1 1 340 1 1 1 1 31 LYS HG3 . 31 LYS HG3 1 1 340 1 2 1 1 32 PRO QD . 32 PRO QD 1 1 341 1 1 1 1 31 LYS HG3 . 31 LYS HG3 1 1 341 1 2 1 1 32 PRO HD3 . 32 PRO HD3 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 . . . . . . . 4.49 1 1 2 1 . . . . . . . 3.72 1 1 3 1 . . . . . . . 4.73 1 1 4 1 . . . . . . . 4.04 1 1 5 1 . . . . . . . 3.96 1 1 6 1 . . . . . . . 4.39 1 1 7 1 . . . . . . . 4.22 1 1 8 1 . . . . . . . 3.65 1 1 9 1 . . . . . . . 3.47 1 1 10 1 . . . . . . . 3.45 1 1 11 1 . . . . . . . 3.6 1 1 12 1 . . . . . . . 4.39 1 1 13 1 . . . . . . . 3.44 1 1 14 1 . . . . . . . 4.15 1 1 15 1 . . . . . . . 4.21 1 1 16 1 . . . . . . . 4.12 1 1 17 1 . . . . . . . 4.52 1 1 18 1 . . . . . . . 3.3 1 1 19 1 . . . . . . . 2.84 1 1 20 1 . . . . . . . 4.37 1 1 21 1 . . . . . . . 5.5 1 1 22 1 . . . . . . . 4.6 1 1 23 1 . . . . . . . 3.09 1 1 24 1 . . . . . . . 5.08 1 1 25 1 . . . . . . . 3.96 1 1 26 1 . . . . . . . 5.43 1 1 27 1 . . . . . . . 5.5 1 1 28 1 . . . . . . . 5.5 1 1 29 1 . . . . . . . 4.03 1 1 30 1 . . . . . . . 3.97 1 1 31 1 . . . . . . . 4.21 1 1 32 1 . . . . . . . 4.36 1 1 33 1 . . . . . . . 3.54 1 1 34 1 . . . . . . . 3.74 1 1 35 1 . . . . . . . 5.22 1 1 36 1 . . . . . . . 2.86 1 1 37 1 . . . . . . . 3.89 1 1 38 1 . . . . . . . 5.29 1 1 39 1 . . . . . . . 3.54 1 1 40 1 . . . . . . . 3.43 1 1 41 1 . . . . . . . 4.14 1 1 42 1 . . . . . . . 4.22 1 1 43 1 . . . . . . . 3.22 1 1 44 1 . . . . . . . 4.39 1 1 45 1 . . . . . . . 3.82 1 1 46 1 . . . . . . . 4.33 1 1 47 1 . . . . . . . 3.95 1 1 48 1 . . . . . . . 3.88 1 1 49 1 . . . . . . . 3.41 1 1 50 1 . . . . . . . 4.76 1 1 51 1 . . . . . . . 4.67 1 1 52 1 . . . . . . . 4.44 1 1 53 1 . . . . . . . 4.61 1 1 54 1 . . . . . . . 4.25 1 1 55 1 . . . . . . . 3.41 1 1 56 1 . . . . . . . 3.73 1 1 57 1 . . . . . . . 3.83 1 1 58 1 . . . . . . . 4.76 1 1 59 1 . . . . . . . 4.58 1 1 60 1 . . . . . . . 4.3 1 1 61 1 . . . . . . . 4.48 1 1 62 1 . . . . . . . 5.23 1 1 63 1 . . . . . . . 3.15 1 1 64 1 . . . . . . . 4.74 1 1 65 1 . . . . . . . 3.83 1 1 66 1 . . . . . . . 5.21 1 1 67 1 . . . . . . . 4.21 1 1 68 1 . . . . . . . 3.63 1 1 69 1 . . . . . . . 4.52 1 1 70 1 . . . . . . . 3.9 1 1 71 1 . . . . . . . 4.44 1 1 72 1 . . . . . . . 5.5 1 1 73 1 . . . . . . . 4.45 1 1 74 1 . . . . . . . 3.25 1 1 75 1 . . . . . . . 3.93 1 1 76 1 . . . . . . . 5.17 1 1 77 1 . . . . . . . 2.76 1 1 78 1 . . . . . . . 3.64 1 1 79 1 . . . . . . . 4.32 1 1 80 1 . . . . . . . 4.23 1 1 81 1 . . . . . . . 4.17 1 1 82 1 . . . . . . . 3.6 1 1 83 1 . . . . . . . 3.02 1 1 84 1 . . . . . . . 2.89 1 1 85 1 . . . . . . . 4.85 1 1 86 1 . . . . . . . 4.9 1 1 87 1 . . . . . . . 4.17 1 1 88 1 . . . . . . . 4.03 1 1 89 1 . . . . . . . 4.0 1 1 90 1 . . . . . . . 2.69 1 1 91 1 . . . . . . . 4.44 1 1 92 1 . . . . . . . 4.96 1 1 93 1 . . . . . . . 4.5 1 1 94 1 . . . . . . . 4.21 1 1 95 1 . . . . . . . 4.06 1 1 96 1 . . . . . . . 3.99 1 1 97 1 . . . . . . . 4.59 1 1 98 1 . . . . . . . 4.28 1 1 99 1 . . . . . . . 3.98 1 1 100 1 . . . . . . . 3.36 1 1 101 1 . . . . . . . 4.35 1 1 102 1 . . . . . . . 3.32 1 1 103 1 . . . . . . . 4.24 1 1 104 1 . . . . . . . 4.44 1 1 105 1 . . . . . . . 3.83 1 1 106 1 . . . . . . . 2.95 1 1 107 1 . . . . . . . 3.83 1 1 108 1 . . . . . . . 3.3 1 1 109 1 . . . . . . . 4.84 1 1 110 1 . . . . . . . 4.46 1 1 111 1 . . . . . . . 4.47 1 1 112 1 . . . . . . . 3.87 1 1 113 1 . . . . . . . 4.48 1 1 114 1 . . . . . . . 5.24 1 1 115 1 . . . . . . . 5.24 1 1 116 1 . . . . . . . 3.13 1 1 117 1 . . . . . . . 4.08 1 1 118 1 . . . . . . . 3.18 1 1 119 1 . . . . . . . 4.1 1 1 120 1 . . . . . . . 3.19 1 1 121 1 . . . . . . . 3.31 1 1 122 1 . . . . . . . 4.02 1 1 123 1 . . . . . . . 4.22 1 1 124 1 . . . . . . . 4.34 1 1 125 1 . . . . . . . 3.65 1 1 126 1 . . . . . . . 4.34 1 1 127 1 . . . . . . . 3.48 1 1 128 1 . . . . . . . 2.89 1 1 129 1 . . . . . . . 5.26 1 1 130 1 . . . . . . . 4.0 1 1 131 1 . . . . . . . 2.67 1 1 132 1 . . . . . . . 4.14 1 1 133 1 . . . . . . . 4.14 1 1 134 1 . . . . . . . 3.47 1 1 135 1 . . . . . . . 3.9 1 1 136 1 . . . . . . . 3.56 1 1 137 1 . . . . . . . 4.44 1 1 138 1 . . . . . . . 3.18 1 1 139 1 . . . . . . . 4.44 1 1 140 1 . . . . . . . 4.27 1 1 141 1 . . . . . . . 2.83 1 1 142 1 . . . . . . . 3.26 1 1 143 1 . . . . . . . 4.06 1 1 144 1 . . . . . . . 3.41 1 1 145 1 . . . . . . . 4.06 1 1 146 1 . . . . . . . 3.38 1 1 147 1 . . . . . . . 2.87 1 1 148 1 . . . . . . . 3.38 1 1 149 1 . . . . . . . 2.68 1 1 150 1 . . . . . . . 4.41 1 1 151 1 . . . . . . . 3.2 1 1 152 1 . . . . . . . 4.73 1 1 153 1 . . . . . . . 4.57 1 1 154 1 . . . . . . . 4.79 1 1 155 1 . . . . . . . 3.87 1 1 156 1 . . . . . . . 4.45 1 1 157 1 . . . . . . . 2.94 1 1 158 1 . . . . . . . 3.99 1 1 159 1 . . . . . . . 3.48 1 1 160 1 . . . . . . . 3.99 1 1 161 1 . . . . . . . 3.48 1 1 162 1 . . . . . . . 3.11 1 1 163 1 . . . . . . . 3.69 1 1 164 1 . . . . . . . 4.15 1 1 165 1 . . . . . . . 3.55 1 1 166 1 . . . . . . . 2.81 1 1 167 1 . . . . . . . 4.42 1 1 168 1 . . . . . . . 4.07 1 1 169 1 . . . . . . . 3.99 1 1 170 1 . . . . . . . 3.91 1 1 171 1 . . . . . . . 5.5 1 1 172 1 . . . . . . . 2.77 1 1 173 1 . . . . . . . 3.99 1 1 174 1 . . . . . . . 4.01 1 1 175 1 . . . . . . . 4.15 1 1 176 1 . . . . . . . 5.18 1 1 177 1 . . . . . . . 4.21 1 1 178 1 . . . . . . . 3.86 1 1 179 1 . . . . . . . 4.48 1 1 180 1 . . . . . . . 3.84 1 1 181 1 . . . . . . . 4.96 1 1 182 1 . . . . . . . 3.68 1 1 183 1 . . . . . . . 2.83 1 1 184 1 . . . . . . . 4.04 1 1 185 1 . . . . . . . 4.8 1 1 186 1 . . . . . . . 4.95 1 1 187 1 . . . . . . . 3.99 1 1 188 1 . . . . . . . 4.25 1 1 189 1 . . . . . . . 3.25 1 1 190 1 . . . . . . . 2.98 1 1 191 1 . . . . . . . 3.8 1 1 192 1 . . . . . . . 4.1 1 1 193 1 . . . . . . . 4.91 1 1 194 1 . . . . . . . 3.81 1 1 195 1 . . . . . . . 4.77 1 1 196 1 . . . . . . . 3.72 1 1 197 1 . . . . . . . 3.38 1 1 198 1 . . . . . . . 4.77 1 1 199 1 . . . . . . . 4.52 1 1 200 1 . . . . . . . 4.41 1 1 201 1 . . . . . . . 3.92 1 1 202 1 . . . . . . . 4.48 1 1 203 1 . . . . . . . 3.28 1 1 204 1 . . . . . . . 3.97 1 1 205 1 . . . . . . . 3.24 1 1 206 1 . . . . . . . 4.4 1 1 207 1 . . . . . . . 3.25 1 1 208 1 . . . . . . . 2.4 1 1 209 1 . . . . . . . 4.2 1 1 210 1 . . . . . . . 4.16 1 1 211 1 . . . . . . . 2.86 1 1 212 1 . . . . . . . 2.94 1 1 213 1 . . . . . . . 4.16 1 1 214 1 . . . . . . . 4.0 1 1 215 1 . . . . . . . 3.58 1 1 216 1 . . . . . . . 4.61 1 1 217 1 . . . . . . . 3.96 1 1 218 1 . . . . . . . 4.61 1 1 219 1 . . . . . . . 4.07 1 1 220 1 . . . . . . . 2.9 1 1 221 1 . . . . . . . 3.12 1 1 222 1 . . . . . . . 3.81 1 1 223 1 . . . . . . . 4.11 1 1 224 1 . . . . . . . 3.36 1 1 225 1 . . . . . . . 4.5 1 1 226 1 . . . . . . . 4.42 1 1 227 1 . . . . . . . 3.33 1 1 228 1 . . . . . . . 4.18 1 1 229 1 . . . . . . . 4.35 1 1 230 1 . . . . . . . 4.02 1 1 231 1 . . . . . . . 4.16 1 1 232 1 . . . . . . . 3.28 1 1 233 1 . . . . . . . 4.49 1 1 234 1 . . . . . . . 4.6 1 1 235 1 . . . . . . . 4.61 1 1 236 1 . . . . . . . 2.79 1 1 237 1 . . . . . . . 4.0 1 1 238 1 . . . . . . . 3.08 1 1 239 1 . . . . . . . 3.9 1 1 240 1 . . . . . . . 4.84 1 1 241 1 . . . . . . . 3.98 1 1 242 1 . . . . . . . 4.61 1 1 243 1 . . . . . . . 3.88 1 1 244 1 . . . . . . . 4.73 1 1 245 1 . . . . . . . 3.47 1 1 246 1 . . . . . . . 4.35 1 1 247 1 . . . . . . . 4.21 1 1 248 1 . . . . . . . 4.49 1 1 249 1 . . . . . . . 3.68 1 1 250 1 . . . . . . . 4.28 1 1 251 1 . . . . . . . 4.74 1 1 252 1 . . . . . . . 4.31 1 1 253 1 . . . . . . . 4.5 1 1 254 1 . . . . . . . 2.98 1 1 255 1 . . . . . . . 3.03 1 1 256 1 . . . . . . . 4.33 1 1 257 1 . . . . . . . 4.3 1 1 258 1 . . . . . . . 4.24 1 1 259 1 . . . . . . . 4.08 1 1 260 1 . . . . . . . 4.45 1 1 261 1 . . . . . . . 2.78 1 1 262 1 . . . . . . . 4.4 1 1 263 1 . . . . . . . 4.62 1 1 264 1 . . . . . . . 4.44 1 1 265 1 . . . . . . . 4.58 1 1 266 1 . . . . . . . 4.35 1 1 267 1 . . . . . . . 4.13 1 1 268 1 . . . . . . . 3.55 1 1 269 1 . . . . . . . 3.49 1 1 270 1 . . . . . . . 4.58 1 1 271 1 . . . . . . . 4.51 1 1 272 1 . . . . . . . 3.77 1 1 273 1 . . . . . . . 3.42 1 1 274 1 . . . . . . . 4.61 1 1 275 1 . . . . . . . 2.99 1 1 276 1 . . . . . . . 4.95 1 1 277 1 . . . . . . . 3.31 1 1 278 1 . . . . . . . 4.07 1 1 279 1 . . . . . . . 3.0 1 1 280 1 . . . . . . . 4.07 1 1 281 1 . . . . . . . 3.41 1 1 282 1 . . . . . . . 4.45 1 1 283 1 . . . . . . . 3.4 1 1 284 1 . . . . . . . 2.76 1 1 285 1 . . . . . . . 3.4 1 1 286 1 . . . . . . . 4.54 1 1 287 1 . . . . . . . 3.4 1 1 288 1 . . . . . . . 4.57 1 1 289 1 . . . . . . . 4.57 1 1 290 1 . . . . . . . 3.13 1 1 291 1 . . . . . . . 3.03 1 1 292 1 . . . . . . . 4.11 1 1 293 1 . . . . . . . 5.18 1 1 294 1 . . . . . . . 5.5 1 1 295 1 . . . . . . . 3.34 1 1 296 1 . . . . . . . 4.38 1 1 297 1 . . . . . . . 4.47 1 1 298 1 . . . . . . . 4.05 1 1 299 1 . . . . . . . 3.55 1 1 300 1 . . . . . . . 2.98 1 1 301 1 . . . . . . . 4.25 1 1 302 1 . . . . . . . 4.11 1 1 303 1 . . . . . . . 4.99 1 1 304 1 . . . . . . . 2.76 1 1 305 1 . . . . . . . 3.7 1 1 306 1 . . . . . . . 3.34 1 1 307 1 . . . . . . . 3.84 1 1 308 1 . . . . . . . 3.25 1 1 309 1 . . . . . . . 3.84 1 1 310 1 . . . . . . . 4.76 1 1 311 1 . . . . . . . 4.66 1 1 312 1 . . . . . . . 2.89 1 1 313 1 . . . . . . . 3.95 1 1 314 1 . . . . . . . 3.62 1 1 315 1 . . . . . . . 3.12 1 1 316 1 . . . . . . . 2.65 1 1 317 1 . . . . . . . 3.12 1 1 318 1 . . . . . . . 3.27 1 1 319 1 . . . . . . . 2.6 1 1 320 1 . . . . . . . 3.72 1 1 321 1 . . . . . . . 4.42 1 1 322 1 . . . . . . . 4.42 1 1 323 1 . . . . . . . 4.96 1 1 324 1 . . . . . . . 2.98 1 1 325 1 . . . . . . . 3.11 1 1 326 1 . . . . . . . 3.77 1 1 327 1 . . . . . . . 3.41 1 1 328 1 . . . . . . . 3.13 1 1 329 1 . . . . . . . 2.71 1 1 330 1 . . . . . . . 3.13 1 1 331 1 . . . . . . . 4.41 1 1 332 1 . . . . . . . 4.24 1 1 333 1 . . . . . . . 4.29 1 1 334 1 . . . . . . . 3.59 1 1 335 1 . . . . . . . 4.08 1 1 336 1 . . . . . . . 4.08 1 1 337 1 . . . . . . . 3.56 1 1 338 1 . . . . . . . 4.21 1 1 339 1 . . . . . . . 4.23 1 1 340 1 . . . . . . . 3.46 1 1 341 1 . . . . . . . 4.23 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 2 HIS C C -16.170 3.626 2.987 1.00 . A A . 1 HIS C 1 1 1 2 1 1 2 HIS CA C -16.202 5.086 3.429 1.00 . A A . 1 HIS CA 1 1 1 3 1 1 2 HIS CB C -17.338 5.822 2.717 1.00 . A A . 1 HIS CB 1 1 1 4 1 1 2 HIS CD2 C -19.164 5.131 4.424 1.00 . A A . 1 HIS CD2 1 1 1 5 1 1 2 HIS CE1 C -20.834 4.884 3.024 1.00 . A A . 1 HIS CE1 1 1 1 6 1 1 2 HIS CG C -18.701 5.412 3.184 1.00 . A A . 1 HIS CG 1 1 1 7 1 1 2 HIS H H -14.422 5.486 2.354 1.00 . A A . 1 HIS H 1 1 1 8 1 1 2 HIS HA H -16.371 5.124 4.493 1.00 . A A . 1 HIS HA 1 1 1 9 1 1 2 HIS HB2 H -17.234 6.882 2.889 1.00 . A A . 1 HIS HB2 1 1 1 10 1 1 2 HIS HB3 H -17.276 5.626 1.656 1.00 . A A . 1 HIS HB3 1 1 1 11 1 1 2 HIS HD1 H -19.753 5.378 1.359 1.00 . A A . 1 HIS HD1 1 1 1 12 1 1 2 HIS HD2 H -18.597 5.158 5.343 1.00 . A A . 1 HIS HD2 1 1 1 13 1 1 2 HIS HE1 H -21.815 4.685 2.620 1.00 . A A . 1 HIS HE1 1 1 1 14 1 1 2 HIS N N -14.926 5.739 3.155 1.00 . A A . 1 HIS N 1 1 1 15 1 1 2 HIS ND1 N -19.770 5.247 2.330 1.00 . A A . 1 HIS ND1 1 1 1 16 1 1 2 HIS NE2 N -20.493 4.806 4.298 1.00 . A A . 1 HIS NE2 1 1 1 17 1 1 2 HIS O O -15.906 3.325 1.824 1.00 . A A . 1 HIS O 1 1 1 18 1 1 3 MET C C -15.256 0.918 2.749 1.00 . A A . 2 MET C 1 1 1 19 1 1 3 MET CA C -16.442 1.294 3.632 1.00 . A A . 2 MET CA 1 1 1 20 1 1 3 MET CB C -17.750 0.895 2.946 1.00 . A A . 2 MET CB 1 1 1 21 1 1 3 MET CE C -18.830 0.035 -0.492 1.00 . A A . 2 MET CE 1 1 1 22 1 1 3 MET CG C -17.987 1.611 1.626 1.00 . A A . 2 MET CG 1 1 1 23 1 1 3 MET H H -16.642 3.025 4.835 1.00 . A A . 2 MET H 1 1 1 24 1 1 3 MET HA H -16.362 0.765 4.569 1.00 . A A . 2 MET HA 1 1 1 25 1 1 3 MET HB2 H -17.734 -0.167 2.757 1.00 . A A . 2 MET HB2 1 1 1 26 1 1 3 MET HB3 H -18.574 1.123 3.607 1.00 . A A . 2 MET HB3 1 1 1 27 1 1 3 MET HE1 H -18.420 -0.865 -0.058 1.00 . A A . 2 MET HE1 1 1 1 28 1 1 3 MET HE2 H -19.616 -0.226 -1.185 1.00 . A A . 2 MET HE2 1 1 1 29 1 1 3 MET HE3 H -18.051 0.570 -1.014 1.00 . A A . 2 MET HE3 1 1 1 30 1 1 3 MET HG2 H -18.055 2.672 1.814 1.00 . A A . 2 MET HG2 1 1 1 31 1 1 3 MET HG3 H -17.150 1.417 0.972 1.00 . A A . 2 MET HG3 1 1 1 32 1 1 3 MET N N -16.440 2.724 3.925 1.00 . A A . 2 MET N 1 1 1 33 1 1 3 MET O O -15.398 0.155 1.794 1.00 . A A . 2 MET O 1 1 1 34 1 1 3 MET SD S -19.500 1.072 0.806 1.00 . A A . 2 MET SD 1 1 1 35 1 1 4 VAL C C -11.785 0.603 3.206 1.00 . A A . 3 VAL C 1 1 1 36 1 1 4 VAL CA C -12.876 1.181 2.312 1.00 . A A . 3 VAL CA 1 1 1 37 1 1 4 VAL CB C -12.341 2.450 1.623 1.00 . A A . 3 VAL CB 1 1 1 38 1 1 4 VAL CG1 C -11.517 3.280 2.596 1.00 . A A . 3 VAL CG1 1 1 1 39 1 1 4 VAL CG2 C -11.521 2.084 0.396 1.00 . A A . 3 VAL CG2 1 1 1 40 1 1 4 VAL H H -14.037 2.061 3.847 1.00 . A A . 3 VAL H 1 1 1 41 1 1 4 VAL HA H -13.122 0.458 1.548 1.00 . A A . 3 VAL HA 1 1 1 42 1 1 4 VAL HB H -13.184 3.044 1.302 1.00 . A A . 3 VAL HB 1 1 1 43 1 1 4 VAL HG11 H -10.467 3.123 2.402 1.00 . A A . 3 VAL HG11 1 1 1 44 1 1 4 VAL HG12 H -11.756 4.325 2.470 1.00 . A A . 3 VAL HG12 1 1 1 45 1 1 4 VAL HG13 H -11.745 2.977 3.608 1.00 . A A . 3 VAL HG13 1 1 1 46 1 1 4 VAL HG21 H -11.264 1.036 0.434 1.00 . A A . 3 VAL HG21 1 1 1 47 1 1 4 VAL HG22 H -12.100 2.279 -0.496 1.00 . A A . 3 VAL HG22 1 1 1 48 1 1 4 VAL HG23 H -10.619 2.675 0.374 1.00 . A A . 3 VAL HG23 1 1 1 49 1 1 4 VAL N N -14.087 1.461 3.075 1.00 . A A . 3 VAL N 1 1 1 50 1 1 4 VAL O O -10.617 0.547 2.820 1.00 . A A . 3 VAL O 1 1 1 51 1 1 5 ILE C C -10.406 -1.512 4.702 1.00 . A A . 4 ILE C 1 1 1 52 1 1 5 ILE CA C -11.228 -0.403 5.350 1.00 . A A . 4 ILE CA 1 1 1 53 1 1 5 ILE CB C -11.947 -0.969 6.589 1.00 . A A . 4 ILE CB 1 1 1 54 1 1 5 ILE CD1 C -13.588 -2.141 5.036 1.00 . A A . 4 ILE CD1 1 1 1 55 1 1 5 ILE CG1 C -12.674 -2.268 6.235 1.00 . A A . 4 ILE CG1 1 1 1 56 1 1 5 ILE CG2 C -12.924 0.055 7.148 1.00 . A A . 4 ILE CG2 1 1 1 57 1 1 5 ILE H H -13.117 0.245 4.653 1.00 . A A . 4 ILE H 1 1 1 58 1 1 5 ILE HA H -10.560 0.383 5.674 1.00 . A A . 4 ILE HA 1 1 1 59 1 1 5 ILE HB H -11.205 -1.174 7.345 1.00 . A A . 4 ILE HB 1 1 1 60 1 1 5 ILE HD11 H -14.222 -1.275 5.157 1.00 . A A . 4 ILE HD11 1 1 1 61 1 1 5 ILE HD12 H -12.995 -2.033 4.141 1.00 . A A . 4 ILE HD12 1 1 1 62 1 1 5 ILE HD13 H -14.202 -3.027 4.957 1.00 . A A . 4 ILE HD13 1 1 1 63 1 1 5 ILE HG12 H -11.945 -3.033 6.016 1.00 . A A . 4 ILE HG12 1 1 1 64 1 1 5 ILE HG13 H -13.272 -2.578 7.079 1.00 . A A . 4 ILE HG13 1 1 1 65 1 1 5 ILE HG21 H -12.976 0.903 6.482 1.00 . A A . 4 ILE HG21 1 1 1 66 1 1 5 ILE HG22 H -13.902 -0.392 7.237 1.00 . A A . 4 ILE HG22 1 1 1 67 1 1 5 ILE HG23 H -12.586 0.381 8.121 1.00 . A A . 4 ILE HG23 1 1 1 68 1 1 5 ILE N N -12.173 0.173 4.402 1.00 . A A . 4 ILE N 1 1 1 69 1 1 5 ILE O O -10.571 -1.812 3.520 1.00 . A A . 4 ILE O 1 1 1 70 1 1 6 GLY C C -7.231 -2.790 4.857 1.00 . A A . 5 GLY C 1 1 1 71 1 1 6 GLY CA C -8.688 -3.192 4.972 1.00 . A A . 5 GLY CA 1 1 1 72 1 1 6 GLY H H -9.434 -1.841 6.422 1.00 . A A . 5 GLY H 1 1 1 73 1 1 6 GLY HA2 H -8.765 -4.042 5.634 1.00 . A A . 5 GLY HA2 1 1 1 74 1 1 6 GLY HA3 H -9.050 -3.476 3.995 1.00 . A A . 5 GLY HA3 1 1 1 75 1 1 6 GLY N N -9.521 -2.121 5.486 1.00 . A A . 5 GLY N 1 1 1 76 1 1 6 GLY O O -6.379 -3.604 4.501 1.00 . A A . 5 GLY O 1 1 1 77 1 1 7 THR C C -4.597 -1.975 5.744 1.00 . A A . 6 THR C 1 1 1 78 1 1 7 THR CA C -5.580 -1.016 5.082 1.00 . A A . 6 THR CA 1 1 1 79 1 1 7 THR CB C -5.461 0.367 5.752 1.00 . A A . 6 THR CB 1 1 1 80 1 1 7 THR CG2 C -6.257 1.410 4.984 1.00 . A A . 6 THR CG2 1 1 1 81 1 1 7 THR H H -7.665 -0.925 5.434 1.00 . A A . 6 THR H 1 1 1 82 1 1 7 THR HA H -5.319 -0.910 4.039 1.00 . A A . 6 THR HA 1 1 1 83 1 1 7 THR HB H -4.420 0.659 5.755 1.00 . A A . 6 THR HB 1 1 1 84 1 1 7 THR HG1 H -5.987 1.185 7.467 1.00 . A A . 6 THR HG1 1 1 1 85 1 1 7 THR HG21 H -5.579 2.109 4.517 1.00 . A A . 6 THR HG21 1 1 1 86 1 1 7 THR HG22 H -6.906 1.940 5.665 1.00 . A A . 6 THR HG22 1 1 1 87 1 1 7 THR HG23 H -6.850 0.923 4.225 1.00 . A A . 6 THR HG23 1 1 1 88 1 1 7 THR N N -6.943 -1.526 5.157 1.00 . A A . 6 THR N 1 1 1 89 1 1 7 THR O O -4.887 -2.551 6.792 1.00 . A A . 6 THR O 1 1 1 90 1 1 7 THR OG1 O -5.931 0.298 7.103 1.00 . A A . 6 THR OG1 1 1 1 91 1 1 8 TRP C C -1.273 -2.233 6.296 1.00 . A A . 7 TRP C 1 1 1 92 1 1 8 TRP CA C -2.405 -3.029 5.655 1.00 . A A . 7 TRP CA 1 1 1 93 1 1 8 TRP CB C -1.852 -3.923 4.543 1.00 . A A . 7 TRP CB 1 1 1 94 1 1 8 TRP CD1 C -2.557 -2.716 2.394 1.00 . A A . 7 TRP CD1 1 1 1 95 1 1 8 TRP CD2 C -0.341 -2.849 2.692 1.00 . A A . 7 TRP CD2 1 1 1 96 1 1 8 TRP CE2 C -0.593 -2.169 1.483 1.00 . A A . 7 TRP CE2 1 1 1 97 1 1 8 TRP CE3 C 0.984 -3.050 3.087 1.00 . A A . 7 TRP CE3 1 1 1 98 1 1 8 TRP CG C -1.611 -3.190 3.258 1.00 . A A . 7 TRP CG 1 1 1 99 1 1 8 TRP CH2 C 1.720 -1.904 1.082 1.00 . A A . 7 TRP CH2 1 1 1 100 1 1 8 TRP CZ2 C 0.431 -1.693 0.670 1.00 . A A . 7 TRP CZ2 1 1 1 101 1 1 8 TRP CZ3 C 2.000 -2.577 2.279 1.00 . A A . 7 TRP CZ3 1 1 1 102 1 1 8 TRP H H -3.260 -1.651 4.292 1.00 . A A . 7 TRP H 1 1 1 103 1 1 8 TRP HA H -2.864 -3.651 6.410 1.00 . A A . 7 TRP HA 1 1 1 104 1 1 8 TRP HB2 H -0.913 -4.348 4.866 1.00 . A A . 7 TRP HB2 1 1 1 105 1 1 8 TRP HB3 H -2.556 -4.718 4.348 1.00 . A A . 7 TRP HB3 1 1 1 106 1 1 8 TRP HD1 H -3.621 -2.819 2.543 1.00 . A A . 7 TRP HD1 1 1 1 107 1 1 8 TRP HE1 H -2.419 -1.683 0.571 1.00 . A A . 7 TRP HE1 1 1 1 108 1 1 8 TRP HE3 H 1.220 -3.566 4.005 1.00 . A A . 7 TRP HE3 1 1 1 109 1 1 8 TRP HH2 H 2.544 -1.551 0.482 1.00 . A A . 7 TRP HH2 1 1 1 110 1 1 8 TRP HZ2 H 0.231 -1.171 -0.255 1.00 . A A . 7 TRP HZ2 1 1 1 111 1 1 8 TRP HZ3 H 3.030 -2.722 2.568 1.00 . A A . 7 TRP HZ3 1 1 1 112 1 1 8 TRP N N -3.433 -2.140 5.125 1.00 . A A . 7 TRP N 1 1 1 113 1 1 8 TRP NE1 N -1.952 -2.102 1.325 1.00 . A A . 7 TRP NE1 1 1 1 114 1 1 8 TRP O O -0.883 -1.179 5.795 1.00 . A A . 7 TRP O 1 1 1 115 1 1 9 ASP C C 1.686 -2.669 7.711 1.00 . A A . 8 ASP C 1 1 1 116 1 1 9 ASP CA C 0.338 -2.081 8.113 1.00 . A A . 8 ASP CA 1 1 1 117 1 1 9 ASP CB C 0.143 -2.209 9.626 1.00 . A A . 8 ASP CB 1 1 1 118 1 1 9 ASP CG C -1.318 -2.174 10.026 1.00 . A A . 8 ASP CG 1 1 1 119 1 1 9 ASP H H -1.105 -3.589 7.756 1.00 . A A . 8 ASP H 1 1 1 120 1 1 9 ASP HA H 0.320 -1.036 7.845 1.00 . A A . 8 ASP HA 1 1 1 121 1 1 9 ASP HB2 H 0.567 -3.145 9.959 1.00 . A A . 8 ASP HB2 1 1 1 122 1 1 9 ASP HB3 H 0.653 -1.393 10.118 1.00 . A A . 8 ASP HB3 1 1 1 123 1 1 9 ASP N N -0.750 -2.744 7.405 1.00 . A A . 8 ASP N 1 1 1 124 1 1 9 ASP O O 1.839 -3.887 7.606 1.00 . A A . 8 ASP O 1 1 1 125 1 1 9 ASP OD1 O -2.150 -1.744 9.199 1.00 . A A . 8 ASP OD1 1 1 1 126 1 1 9 ASP OD2 O -1.630 -2.579 11.166 1.00 . A A . 8 ASP OD2 1 1 1 127 1 1 10 CYS C C 4.668 -3.016 8.211 1.00 . A A . 9 CYS C 1 1 1 128 1 1 10 CYS CA C 3.998 -2.227 7.089 1.00 . A A . 9 CYS CA 1 1 1 129 1 1 10 CYS CB C 4.858 -1.018 6.717 1.00 . A A . 9 CYS CB 1 1 1 130 1 1 10 CYS H H 2.479 -0.838 7.582 1.00 . A A . 9 CYS H 1 1 1 131 1 1 10 CYS HA H 3.900 -2.867 6.225 1.00 . A A . 9 CYS HA 1 1 1 132 1 1 10 CYS HB2 H 4.235 -0.276 6.239 1.00 . A A . 9 CYS HB2 1 1 1 133 1 1 10 CYS HB3 H 5.283 -0.598 7.616 1.00 . A A . 9 CYS HB3 1 1 1 134 1 1 10 CYS N N 2.662 -1.796 7.483 1.00 . A A . 9 CYS N 1 1 1 135 1 1 10 CYS O O 4.132 -3.124 9.313 1.00 . A A . 9 CYS O 1 1 1 136 1 1 10 CYS SG S 6.230 -1.401 5.581 1.00 . A A . 9 CYS SG 1 1 1 137 1 1 11 ASP C C 8.072 -3.998 8.859 1.00 . A A . 10 ASP C 1 1 1 138 1 1 11 ASP CA C 6.587 -4.342 8.904 1.00 . A A . 10 ASP CA 1 1 1 139 1 1 11 ASP CB C 6.390 -5.840 8.658 1.00 . A A . 10 ASP CB 1 1 1 140 1 1 11 ASP CG C 4.930 -6.244 8.689 1.00 . A A . 10 ASP CG 1 1 1 141 1 1 11 ASP H H 6.218 -3.443 7.023 1.00 . A A . 10 ASP H 1 1 1 142 1 1 11 ASP HA H 6.202 -4.095 9.882 1.00 . A A . 10 ASP HA 1 1 1 143 1 1 11 ASP HB2 H 6.794 -6.094 7.688 1.00 . A A . 10 ASP HB2 1 1 1 144 1 1 11 ASP HB3 H 6.917 -6.395 9.420 1.00 . A A . 10 ASP HB3 1 1 1 145 1 1 11 ASP N N 5.842 -3.565 7.921 1.00 . A A . 10 ASP N 1 1 1 146 1 1 11 ASP O O 8.900 -4.693 9.447 1.00 . A A . 10 ASP O 1 1 1 147 1 1 11 ASP OD1 O 4.229 -6.019 7.680 1.00 . A A . 10 ASP OD1 1 1 1 148 1 1 11 ASP OD2 O 4.488 -6.788 9.722 1.00 . A A . 10 ASP OD2 1 1 1 149 1 1 12 THR C C 9.926 -0.997 8.346 1.00 . A A . 11 THR C 1 1 1 150 1 1 12 THR CA C 9.787 -2.482 8.031 1.00 . A A . 11 THR CA 1 1 1 151 1 1 12 THR CB C 10.335 -2.749 6.617 1.00 . A A . 11 THR CB 1 1 1 152 1 1 12 THR CG2 C 10.922 -1.480 6.016 1.00 . A A . 11 THR CG2 1 1 1 153 1 1 12 THR H H 7.696 -2.406 7.710 1.00 . A A . 11 THR H 1 1 1 154 1 1 12 THR HA H 10.379 -3.046 8.737 1.00 . A A . 11 THR HA 1 1 1 155 1 1 12 THR HB H 9.522 -3.084 5.989 1.00 . A A . 11 THR HB 1 1 1 156 1 1 12 THR HG1 H 11.811 -3.793 5.829 1.00 . A A . 11 THR HG1 1 1 1 157 1 1 12 THR HG21 H 10.149 -0.731 5.933 1.00 . A A . 11 THR HG21 1 1 1 158 1 1 12 THR HG22 H 11.320 -1.698 5.036 1.00 . A A . 11 THR HG22 1 1 1 159 1 1 12 THR HG23 H 11.713 -1.113 6.652 1.00 . A A . 11 THR HG23 1 1 1 160 1 1 12 THR N N 8.402 -2.919 8.156 1.00 . A A . 11 THR N 1 1 1 161 1 1 12 THR O O 10.915 -0.568 8.940 1.00 . A A . 11 THR O 1 1 1 162 1 1 12 THR OG1 O 11.339 -3.769 6.665 1.00 . A A . 11 THR OG1 1 1 1 163 1 1 13 CYS C C 7.795 1.627 9.110 1.00 . A A . 12 CYS C 1 1 1 164 1 1 13 CYS CA C 8.939 1.221 8.185 1.00 . A A . 12 CYS CA 1 1 1 165 1 1 13 CYS CB C 8.832 1.981 6.860 1.00 . A A . 12 CYS CB 1 1 1 166 1 1 13 CYS H H 8.166 -0.617 7.476 1.00 . A A . 12 CYS H 1 1 1 167 1 1 13 CYS HA H 9.875 1.473 8.659 1.00 . A A . 12 CYS HA 1 1 1 168 1 1 13 CYS HB2 H 9.350 2.924 6.952 1.00 . A A . 12 CYS HB2 1 1 1 169 1 1 13 CYS HB3 H 9.294 1.395 6.080 1.00 . A A . 12 CYS HB3 1 1 1 170 1 1 13 CYS N N 8.929 -0.216 7.945 1.00 . A A . 12 CYS N 1 1 1 171 1 1 13 CYS O O 7.726 2.770 9.566 1.00 . A A . 12 CYS O 1 1 1 172 1 1 13 CYS SG S 7.121 2.339 6.345 1.00 . A A . 12 CYS SG 1 1 1 173 1 1 14 LEU C C 4.861 2.028 9.670 1.00 . A A . 13 LEU C 1 1 1 174 1 1 14 LEU CA C 5.759 0.942 10.256 1.00 . A A . 13 LEU CA 1 1 1 175 1 1 14 LEU CB C 6.239 1.356 11.648 1.00 . A A . 13 LEU CB 1 1 1 176 1 1 14 LEU CD1 C 7.888 -0.408 12.319 1.00 . A A . 13 LEU CD1 1 1 1 177 1 1 14 LEU CD2 C 6.486 0.715 14.058 1.00 . A A . 13 LEU CD2 1 1 1 178 1 1 14 LEU CG C 6.535 0.216 12.622 1.00 . A A . 13 LEU CG 1 1 1 179 1 1 14 LEU H H 7.008 -0.206 8.991 1.00 . A A . 13 LEU H 1 1 1 180 1 1 14 LEU HA H 5.191 0.028 10.337 1.00 . A A . 13 LEU HA 1 1 1 181 1 1 14 LEU HB2 H 7.144 1.932 11.527 1.00 . A A . 13 LEU HB2 1 1 1 182 1 1 14 LEU HB3 H 5.474 1.979 12.089 1.00 . A A . 13 LEU HB3 1 1 1 183 1 1 14 LEU HD11 H 8.670 0.307 12.528 1.00 . A A . 13 LEU HD11 1 1 1 184 1 1 14 LEU HD12 H 7.929 -0.691 11.278 1.00 . A A . 13 LEU HD12 1 1 1 185 1 1 14 LEU HD13 H 8.027 -1.284 12.935 1.00 . A A . 13 LEU HD13 1 1 1 186 1 1 14 LEU HD21 H 7.310 0.294 14.614 1.00 . A A . 13 LEU HD21 1 1 1 187 1 1 14 LEU HD22 H 5.554 0.414 14.513 1.00 . A A . 13 LEU HD22 1 1 1 188 1 1 14 LEU HD23 H 6.560 1.793 14.067 1.00 . A A . 13 LEU HD23 1 1 1 189 1 1 14 LEU HG H 5.781 -0.551 12.508 1.00 . A A . 13 LEU HG 1 1 1 190 1 1 14 LEU N N 6.900 0.684 9.383 1.00 . A A . 13 LEU N 1 1 1 191 1 1 14 LEU O O 4.868 3.169 10.133 1.00 . A A . 13 LEU O 1 1 1 192 1 1 15 VAL C C 1.998 1.884 7.374 1.00 . A A . 14 VAL C 1 1 1 193 1 1 15 VAL CA C 3.183 2.607 8.006 1.00 . A A . 14 VAL CA 1 1 1 194 1 1 15 VAL CB C 3.906 3.428 6.923 1.00 . A A . 14 VAL CB 1 1 1 195 1 1 15 VAL CG1 C 2.900 4.162 6.048 1.00 . A A . 14 VAL CG1 1 1 1 196 1 1 15 VAL CG2 C 4.883 4.405 7.560 1.00 . A A . 14 VAL CG2 1 1 1 197 1 1 15 VAL H H 4.128 0.741 8.329 1.00 . A A . 14 VAL H 1 1 1 198 1 1 15 VAL HA H 2.816 3.287 8.760 1.00 . A A . 14 VAL HA 1 1 1 199 1 1 15 VAL HB H 4.465 2.748 6.297 1.00 . A A . 14 VAL HB 1 1 1 200 1 1 15 VAL HG11 H 2.640 3.542 5.203 1.00 . A A . 14 VAL HG11 1 1 1 201 1 1 15 VAL HG12 H 2.013 4.380 6.624 1.00 . A A . 14 VAL HG12 1 1 1 202 1 1 15 VAL HG13 H 3.337 5.085 5.695 1.00 . A A . 14 VAL HG13 1 1 1 203 1 1 15 VAL HG21 H 5.407 4.946 6.786 1.00 . A A . 14 VAL HG21 1 1 1 204 1 1 15 VAL HG22 H 4.342 5.102 8.182 1.00 . A A . 14 VAL HG22 1 1 1 205 1 1 15 VAL HG23 H 5.595 3.862 8.163 1.00 . A A . 14 VAL HG23 1 1 1 206 1 1 15 VAL N N 4.089 1.665 8.653 1.00 . A A . 14 VAL N 1 1 1 207 1 1 15 VAL O O 2.170 0.895 6.662 1.00 . A A . 14 VAL O 1 1 1 208 1 1 16 GLN C C -0.681 2.284 5.677 1.00 . A A . 15 GLN C 1 1 1 209 1 1 16 GLN CA C -0.418 1.789 7.096 1.00 . A A . 15 GLN CA 1 1 1 210 1 1 16 GLN CB C -1.615 2.109 7.991 1.00 . A A . 15 GLN CB 1 1 1 211 1 1 16 GLN CD C -2.803 1.395 10.104 1.00 . A A . 15 GLN CD 1 1 1 212 1 1 16 GLN CG C -1.469 1.589 9.412 1.00 . A A . 15 GLN CG 1 1 1 213 1 1 16 GLN H H 0.723 3.177 8.212 1.00 . A A . 15 GLN H 1 1 1 214 1 1 16 GLN HA H -0.276 0.719 7.069 1.00 . A A . 15 GLN HA 1 1 1 215 1 1 16 GLN HB2 H -1.740 3.181 8.034 1.00 . A A . 15 GLN HB2 1 1 1 216 1 1 16 GLN HB3 H -2.502 1.668 7.560 1.00 . A A . 15 GLN HB3 1 1 1 217 1 1 16 GLN HE21 H -2.222 2.561 11.606 1.00 . A A . 15 GLN HE21 1 1 1 218 1 1 16 GLN HE22 H -3.818 1.912 11.734 1.00 . A A . 15 GLN HE22 1 1 1 219 1 1 16 GLN HG2 H -0.956 0.638 9.383 1.00 . A A . 15 GLN HG2 1 1 1 220 1 1 16 GLN HG3 H -0.883 2.295 9.982 1.00 . A A . 15 GLN HG3 1 1 1 221 1 1 16 GLN N N 0.796 2.386 7.639 1.00 . A A . 15 GLN N 1 1 1 222 1 1 16 GLN NE2 N -2.964 2.018 11.266 1.00 . A A . 15 GLN NE2 1 1 1 223 1 1 16 GLN O O -0.293 3.394 5.316 1.00 . A A . 15 GLN O 1 1 1 224 1 1 16 GLN OE1 O -3.682 0.694 9.600 1.00 . A A . 15 GLN OE1 1 1 1 225 1 1 17 ASN C C -2.985 1.189 3.069 1.00 . A A . 16 ASN C 1 1 1 226 1 1 17 ASN CA C -1.659 1.808 3.500 1.00 . A A . 16 ASN CA 1 1 1 227 1 1 17 ASN CB C -0.540 1.346 2.564 1.00 . A A . 16 ASN CB 1 1 1 228 1 1 17 ASN CG C 0.817 1.341 3.243 1.00 . A A . 16 ASN CG 1 1 1 229 1 1 17 ASN H H -1.628 0.582 5.226 1.00 . A A . 16 ASN H 1 1 1 230 1 1 17 ASN HA H -1.742 2.882 3.444 1.00 . A A . 16 ASN HA 1 1 1 231 1 1 17 ASN HB2 H -0.754 0.343 2.225 1.00 . A A . 16 ASN HB2 1 1 1 232 1 1 17 ASN HB3 H -0.493 2.008 1.713 1.00 . A A . 16 ASN HB3 1 1 1 233 1 1 17 ASN HD21 H 0.190 -0.033 4.538 1.00 . A A . 16 ASN HD21 1 1 1 234 1 1 17 ASN HD22 H 1.824 0.495 4.734 1.00 . A A . 16 ASN HD22 1 1 1 235 1 1 17 ASN N N -1.344 1.453 4.880 1.00 . A A . 16 ASN N 1 1 1 236 1 1 17 ASN ND2 N 0.958 0.518 4.276 1.00 . A A . 16 ASN ND2 1 1 1 237 1 1 17 ASN O O -3.460 0.226 3.672 1.00 . A A . 16 ASN O 1 1 1 238 1 1 17 ASN OD1 O 1.725 2.069 2.844 1.00 . A A . 16 ASN OD1 1 1 1 239 1 1 18 LYS C C -4.658 -0.071 0.766 1.00 . A A . 17 LYS C 1 1 1 240 1 1 18 LYS CA C -4.849 1.251 1.504 1.00 . A A . 17 LYS CA 1 1 1 241 1 1 18 LYS CB C -5.482 2.283 0.568 1.00 . A A . 17 LYS CB 1 1 1 242 1 1 18 LYS CD C -5.704 3.138 -1.783 1.00 . A A . 17 LYS CD 1 1 1 243 1 1 18 LYS CE C -5.023 3.266 -3.138 1.00 . A A . 17 LYS CE 1 1 1 244 1 1 18 LYS CG C -4.891 2.277 -0.831 1.00 . A A . 17 LYS CG 1 1 1 245 1 1 18 LYS H H -3.151 2.513 1.580 1.00 . A A . 17 LYS H 1 1 1 246 1 1 18 LYS HA H -5.507 1.089 2.344 1.00 . A A . 17 LYS HA 1 1 1 247 1 1 18 LYS HB2 H -6.540 2.080 0.490 1.00 . A A . 17 LYS HB2 1 1 1 248 1 1 18 LYS HB3 H -5.343 3.267 0.990 1.00 . A A . 17 LYS HB3 1 1 1 249 1 1 18 LYS HD2 H -6.675 2.689 -1.923 1.00 . A A . 17 LYS HD2 1 1 1 250 1 1 18 LYS HD3 H -5.819 4.124 -1.354 1.00 . A A . 17 LYS HD3 1 1 1 251 1 1 18 LYS HE2 H -4.549 2.327 -3.378 1.00 . A A . 17 LYS HE2 1 1 1 252 1 1 18 LYS HE3 H -5.774 3.490 -3.882 1.00 . A A . 17 LYS HE3 1 1 1 253 1 1 18 LYS HG2 H -3.882 2.661 -0.789 1.00 . A A . 17 LYS HG2 1 1 1 254 1 1 18 LYS HG3 H -4.876 1.262 -1.202 1.00 . A A . 17 LYS HG3 1 1 1 255 1 1 18 LYS HZ1 H -3.659 4.510 -4.113 1.00 . A A . 17 LYS HZ1 1 1 1 256 1 1 18 LYS HZ2 H -3.189 4.071 -2.549 1.00 . A A . 17 LYS HZ2 1 1 1 257 1 1 18 LYS HZ3 H -4.403 5.227 -2.774 1.00 . A A . 17 LYS HZ3 1 1 1 258 1 1 18 LYS N N -3.579 1.748 2.019 1.00 . A A . 17 LYS N 1 1 1 259 1 1 18 LYS NZ N -3.997 4.344 -3.144 1.00 . A A . 17 LYS NZ 1 1 1 260 1 1 18 LYS O O -3.627 -0.317 0.141 1.00 . A A . 17 LYS O 1 1 1 261 1 1 19 PRO C C -5.717 -2.143 -1.337 1.00 . A A . 18 PRO C 1 1 1 262 1 1 19 PRO CA C -5.642 -2.253 0.183 1.00 . A A . 18 PRO CA 1 1 1 263 1 1 19 PRO CB C -6.889 -2.954 0.729 1.00 . A A . 18 PRO CB 1 1 1 264 1 1 19 PRO CD C -6.934 -0.716 1.568 1.00 . A A . 18 PRO CD 1 1 1 265 1 1 19 PRO CG C -7.812 -1.847 1.107 1.00 . A A . 18 PRO CG 1 1 1 266 1 1 19 PRO HA H -4.762 -2.813 0.458 1.00 . A A . 18 PRO HA 1 1 1 267 1 1 19 PRO HB2 H -7.317 -3.583 -0.039 1.00 . A A . 18 PRO HB2 1 1 1 268 1 1 19 PRO HB3 H -6.622 -3.554 1.587 1.00 . A A . 18 PRO HB3 1 1 1 269 1 1 19 PRO HD2 H -7.371 0.234 1.297 1.00 . A A . 18 PRO HD2 1 1 1 270 1 1 19 PRO HD3 H -6.777 -0.770 2.635 1.00 . A A . 18 PRO HD3 1 1 1 271 1 1 19 PRO HG2 H -8.393 -1.546 0.250 1.00 . A A . 18 PRO HG2 1 1 1 272 1 1 19 PRO HG3 H -8.461 -2.168 1.909 1.00 . A A . 18 PRO HG3 1 1 1 273 1 1 19 PRO N N -5.675 -0.942 0.839 1.00 . A A . 18 PRO N 1 1 1 274 1 1 19 PRO O O -5.523 -3.126 -2.049 1.00 . A A . 18 PRO O 1 1 1 275 1 1 20 GLU C C -4.733 -0.372 -3.854 1.00 . A A . 19 GLU C 1 1 1 276 1 1 20 GLU CA C -6.100 -0.701 -3.259 1.00 . A A . 19 GLU CA 1 1 1 277 1 1 20 GLU CB C -7.079 0.440 -3.542 1.00 . A A . 19 GLU CB 1 1 1 278 1 1 20 GLU CD C -9.009 -0.857 -2.555 1.00 . A A . 19 GLU CD 1 1 1 279 1 1 20 GLU CG C -8.271 0.468 -2.601 1.00 . A A . 19 GLU CG 1 1 1 280 1 1 20 GLU H H -6.144 -0.192 -1.205 1.00 . A A . 19 GLU H 1 1 1 281 1 1 20 GLU HA H -6.471 -1.604 -3.720 1.00 . A A . 19 GLU HA 1 1 1 282 1 1 20 GLU HB2 H -6.555 1.380 -3.453 1.00 . A A . 19 GLU HB2 1 1 1 283 1 1 20 GLU HB3 H -7.448 0.340 -4.553 1.00 . A A . 19 GLU HB3 1 1 1 284 1 1 20 GLU HG2 H -7.923 0.702 -1.607 1.00 . A A . 19 GLU HG2 1 1 1 285 1 1 20 GLU HG3 H -8.957 1.234 -2.930 1.00 . A A . 19 GLU HG3 1 1 1 286 1 1 20 GLU N N -5.999 -0.939 -1.824 1.00 . A A . 19 GLU N 1 1 1 287 1 1 20 GLU O O -4.583 -0.267 -5.071 1.00 . A A . 19 GLU O 1 1 1 288 1 1 20 GLU OE1 O -8.340 -1.911 -2.592 1.00 . A A . 19 GLU OE1 1 1 1 289 1 1 20 GLU OE2 O -10.255 -0.839 -2.481 1.00 . A A . 19 GLU OE2 1 1 1 290 1 1 21 ALA C C -1.594 -1.164 -3.714 1.00 . A A . 20 ALA C 1 1 1 291 1 1 21 ALA CA C -2.387 0.106 -3.423 1.00 . A A . 20 ALA CA 1 1 1 292 1 1 21 ALA CB C -1.674 0.945 -2.372 1.00 . A A . 20 ALA CB 1 1 1 293 1 1 21 ALA H H -3.924 -0.306 -2.027 1.00 . A A . 20 ALA H 1 1 1 294 1 1 21 ALA HA H -2.456 0.690 -4.329 1.00 . A A . 20 ALA HA 1 1 1 295 1 1 21 ALA HB1 H -2.199 1.881 -2.244 1.00 . A A . 20 ALA HB1 1 1 1 296 1 1 21 ALA HB2 H -1.658 0.410 -1.434 1.00 . A A . 20 ALA HB2 1 1 1 297 1 1 21 ALA HB3 H -0.662 1.139 -2.694 1.00 . A A . 20 ALA HB3 1 1 1 298 1 1 21 ALA N N -3.741 -0.210 -2.985 1.00 . A A . 20 ALA N 1 1 1 299 1 1 21 ALA O O -2.047 -2.271 -3.419 1.00 . A A . 20 ALA O 1 1 1 300 1 1 22 ILE C C 1.685 -2.161 -3.739 1.00 . A A . 21 ILE C 1 1 1 301 1 1 22 ILE CA C 0.444 -2.131 -4.625 1.00 . A A . 21 ILE CA 1 1 1 302 1 1 22 ILE CB C 0.882 -2.094 -6.102 1.00 . A A . 21 ILE CB 1 1 1 303 1 1 22 ILE CD1 C 1.658 -3.641 -7.968 1.00 . A A . 21 ILE CD1 1 1 1 304 1 1 22 ILE CG1 C 0.838 -3.499 -6.704 1.00 . A A . 21 ILE CG1 1 1 1 305 1 1 22 ILE CG2 C 2.278 -1.502 -6.224 1.00 . A A . 21 ILE CG2 1 1 1 306 1 1 22 ILE H H -0.104 -0.091 -4.505 1.00 . A A . 21 ILE H 1 1 1 307 1 1 22 ILE HA H -0.124 -3.035 -4.461 1.00 . A A . 21 ILE HA 1 1 1 308 1 1 22 ILE HB H 0.199 -1.457 -6.641 1.00 . A A . 21 ILE HB 1 1 1 309 1 1 22 ILE HD11 H 1.542 -2.754 -8.574 1.00 . A A . 21 ILE HD11 1 1 1 310 1 1 22 ILE HD12 H 2.699 -3.768 -7.710 1.00 . A A . 21 ILE HD12 1 1 1 311 1 1 22 ILE HD13 H 1.317 -4.503 -8.524 1.00 . A A . 21 ILE HD13 1 1 1 312 1 1 22 ILE HG12 H 1.218 -4.206 -5.983 1.00 . A A . 21 ILE HG12 1 1 1 313 1 1 22 ILE HG13 H -0.186 -3.748 -6.942 1.00 . A A . 21 ILE HG13 1 1 1 314 1 1 22 ILE HG21 H 2.986 -2.141 -5.717 1.00 . A A . 21 ILE HG21 1 1 1 315 1 1 22 ILE HG22 H 2.546 -1.427 -7.268 1.00 . A A . 21 ILE HG22 1 1 1 316 1 1 22 ILE HG23 H 2.295 -0.519 -5.777 1.00 . A A . 21 ILE HG23 1 1 1 317 1 1 22 ILE N N -0.411 -0.998 -4.295 1.00 . A A . 21 ILE N 1 1 1 318 1 1 22 ILE O O 2.320 -3.203 -3.576 1.00 . A A . 21 ILE O 1 1 1 319 1 1 23 LYS C C 2.933 0.093 -1.168 1.00 . A A . 22 LYS C 1 1 1 320 1 1 23 LYS CA C 3.187 -0.904 -2.294 1.00 . A A . 22 LYS CA 1 1 1 321 1 1 23 LYS CB C 4.417 -0.479 -3.099 1.00 . A A . 22 LYS CB 1 1 1 322 1 1 23 LYS CD C 5.509 1.257 -4.549 1.00 . A A . 22 LYS CD 1 1 1 323 1 1 23 LYS CE C 5.825 0.361 -5.737 1.00 . A A . 22 LYS CE 1 1 1 324 1 1 23 LYS CG C 4.230 0.827 -3.852 1.00 . A A . 22 LYS CG 1 1 1 325 1 1 23 LYS H H 1.478 -0.214 -3.335 1.00 . A A . 22 LYS H 1 1 1 326 1 1 23 LYS HA H 3.368 -1.877 -1.862 1.00 . A A . 22 LYS HA 1 1 1 327 1 1 23 LYS HB2 H 5.252 -0.363 -2.423 1.00 . A A . 22 LYS HB2 1 1 1 328 1 1 23 LYS HB3 H 4.650 -1.254 -3.815 1.00 . A A . 22 LYS HB3 1 1 1 329 1 1 23 LYS HD2 H 5.395 2.271 -4.899 1.00 . A A . 22 LYS HD2 1 1 1 330 1 1 23 LYS HD3 H 6.327 1.207 -3.845 1.00 . A A . 22 LYS HD3 1 1 1 331 1 1 23 LYS HE2 H 5.764 -0.669 -5.422 1.00 . A A . 22 LYS HE2 1 1 1 332 1 1 23 LYS HE3 H 5.095 0.543 -6.513 1.00 . A A . 22 LYS HE3 1 1 1 333 1 1 23 LYS HG2 H 3.455 0.695 -4.594 1.00 . A A . 22 LYS HG2 1 1 1 334 1 1 23 LYS HG3 H 3.935 1.596 -3.153 1.00 . A A . 22 LYS HG3 1 1 1 335 1 1 23 LYS HZ1 H 7.294 0.163 -7.210 1.00 . A A . 22 LYS HZ1 1 1 1 336 1 1 23 LYS HZ2 H 7.908 0.243 -5.636 1.00 . A A . 22 LYS HZ2 1 1 1 337 1 1 23 LYS HZ3 H 7.338 1.645 -6.393 1.00 . A A . 22 LYS HZ3 1 1 1 338 1 1 23 LYS N N 2.024 -1.011 -3.167 1.00 . A A . 22 LYS N 1 1 1 339 1 1 23 LYS NZ N 7.187 0.621 -6.282 1.00 . A A . 22 LYS NZ 1 1 1 340 1 1 23 LYS O O 1.846 0.664 -1.064 1.00 . A A . 22 LYS O 1 1 1 341 1 1 24 CYS C C 3.837 2.675 0.298 1.00 . A A . 23 CYS C 1 1 1 342 1 1 24 CYS CA C 3.828 1.231 0.789 1.00 . A A . 23 CYS CA 1 1 1 343 1 1 24 CYS CB C 4.972 1.011 1.781 1.00 . A A . 23 CYS CB 1 1 1 344 1 1 24 CYS H H 4.783 -0.183 -0.463 1.00 . A A . 23 CYS H 1 1 1 345 1 1 24 CYS HA H 2.889 1.039 1.286 1.00 . A A . 23 CYS HA 1 1 1 346 1 1 24 CYS HB2 H 5.243 -0.035 1.779 1.00 . A A . 23 CYS HB2 1 1 1 347 1 1 24 CYS HB3 H 5.824 1.598 1.473 1.00 . A A . 23 CYS HB3 1 1 1 348 1 1 24 CYS N N 3.942 0.301 -0.328 1.00 . A A . 23 CYS N 1 1 1 349 1 1 24 CYS O O 4.326 2.968 -0.794 1.00 . A A . 23 CYS O 1 1 1 350 1 1 24 CYS SG S 4.568 1.474 3.495 1.00 . A A . 23 CYS SG 1 1 1 351 1 1 25 VAL C C 4.241 5.797 1.580 1.00 . A A . 24 VAL C 1 1 1 352 1 1 25 VAL CA C 3.240 4.990 0.761 1.00 . A A . 24 VAL CA 1 1 1 353 1 1 25 VAL CB C 1.830 5.568 0.978 1.00 . A A . 24 VAL CB 1 1 1 354 1 1 25 VAL CG1 C 1.612 5.907 2.445 1.00 . A A . 24 VAL CG1 1 1 1 355 1 1 25 VAL CG2 C 1.616 6.794 0.101 1.00 . A A . 24 VAL CG2 1 1 1 356 1 1 25 VAL H H 2.921 3.281 1.968 1.00 . A A . 24 VAL H 1 1 1 357 1 1 25 VAL HA H 3.488 5.084 -0.286 1.00 . A A . 24 VAL HA 1 1 1 358 1 1 25 VAL HB H 1.106 4.818 0.694 1.00 . A A . 24 VAL HB 1 1 1 359 1 1 25 VAL HG11 H 1.839 6.951 2.611 1.00 . A A . 24 VAL HG11 1 1 1 360 1 1 25 VAL HG12 H 0.582 5.716 2.710 1.00 . A A . 24 VAL HG12 1 1 1 361 1 1 25 VAL HG13 H 2.261 5.298 3.056 1.00 . A A . 24 VAL HG13 1 1 1 362 1 1 25 VAL HG21 H 2.410 7.504 0.279 1.00 . A A . 24 VAL HG21 1 1 1 363 1 1 25 VAL HG22 H 1.622 6.499 -0.938 1.00 . A A . 24 VAL HG22 1 1 1 364 1 1 25 VAL HG23 H 0.666 7.247 0.341 1.00 . A A . 24 VAL HG23 1 1 1 365 1 1 25 VAL N N 3.294 3.575 1.111 1.00 . A A . 24 VAL N 1 1 1 366 1 1 25 VAL O O 4.128 7.018 1.689 1.00 . A A . 24 VAL O 1 1 1 367 1 1 26 ALA C C 7.632 5.225 2.627 1.00 . A A . 25 ALA C 1 1 1 368 1 1 26 ALA CA C 6.244 5.760 2.962 1.00 . A A . 25 ALA CA 1 1 1 369 1 1 26 ALA CB C 5.946 5.574 4.442 1.00 . A A . 25 ALA CB 1 1 1 370 1 1 26 ALA H H 5.257 4.135 2.031 1.00 . A A . 25 ALA H 1 1 1 371 1 1 26 ALA HA H 6.214 6.818 2.745 1.00 . A A . 25 ALA HA 1 1 1 372 1 1 26 ALA HB1 H 6.874 5.456 4.983 1.00 . A A . 25 ALA HB1 1 1 1 373 1 1 26 ALA HB2 H 5.419 6.439 4.815 1.00 . A A . 25 ALA HB2 1 1 1 374 1 1 26 ALA HB3 H 5.336 4.693 4.578 1.00 . A A . 25 ALA HB3 1 1 1 375 1 1 26 ALA N N 5.221 5.107 2.154 1.00 . A A . 25 ALA N 1 1 1 376 1 1 26 ALA O O 8.588 5.988 2.497 1.00 . A A . 25 ALA O 1 1 1 377 1 1 27 CYS C C 8.970 2.646 0.781 1.00 . A A . 26 CYS C 1 1 1 378 1 1 27 CYS CA C 9.007 3.268 2.174 1.00 . A A . 26 CYS CA 1 1 1 379 1 1 27 CYS CB C 9.337 2.197 3.214 1.00 . A A . 26 CYS CB 1 1 1 380 1 1 27 CYS H H 6.936 3.349 2.608 1.00 . A A . 26 CYS H 1 1 1 381 1 1 27 CYS HA H 9.774 4.027 2.195 1.00 . A A . 26 CYS HA 1 1 1 382 1 1 27 CYS HB2 H 10.383 1.940 3.136 1.00 . A A . 26 CYS HB2 1 1 1 383 1 1 27 CYS HB3 H 9.142 2.591 4.201 1.00 . A A . 26 CYS HB3 1 1 1 384 1 1 27 CYS N N 7.735 3.907 2.492 1.00 . A A . 26 CYS N 1 1 1 385 1 1 27 CYS O O 10.000 2.245 0.243 1.00 . A A . 26 CYS O 1 1 1 386 1 1 27 CYS SG S 8.376 0.660 3.030 1.00 . A A . 26 CYS SG 1 1 1 387 1 1 28 GLU C C 7.906 0.500 -1.116 1.00 . A A . 27 GLU C 1 1 1 388 1 1 28 GLU CA C 7.603 1.995 -1.126 1.00 . A A . 27 GLU CA 1 1 1 389 1 1 28 GLU CB C 8.513 2.704 -2.131 1.00 . A A . 27 GLU CB 1 1 1 390 1 1 28 GLU CD C 9.907 4.796 -2.381 1.00 . A A . 27 GLU CD 1 1 1 391 1 1 28 GLU CG C 8.582 4.209 -1.935 1.00 . A A . 27 GLU CG 1 1 1 392 1 1 28 GLU H H 6.990 2.907 0.684 1.00 . A A . 27 GLU H 1 1 1 393 1 1 28 GLU HA H 6.576 2.140 -1.419 1.00 . A A . 27 GLU HA 1 1 1 394 1 1 28 GLU HB2 H 9.512 2.304 -2.040 1.00 . A A . 27 GLU HB2 1 1 1 395 1 1 28 GLU HB3 H 8.147 2.509 -3.129 1.00 . A A . 27 GLU HB3 1 1 1 396 1 1 28 GLU HG2 H 7.792 4.671 -2.508 1.00 . A A . 27 GLU HG2 1 1 1 397 1 1 28 GLU HG3 H 8.442 4.430 -0.887 1.00 . A A . 27 GLU HG3 1 1 1 398 1 1 28 GLU N N 7.774 2.569 0.204 1.00 . A A . 27 GLU N 1 1 1 399 1 1 28 GLU O O 8.634 -0.005 -1.972 1.00 . A A . 27 GLU O 1 1 1 400 1 1 28 GLU OE1 O 10.331 4.509 -3.519 1.00 . A A . 27 GLU OE1 1 1 1 401 1 1 28 GLU OE2 O 10.521 5.542 -1.589 1.00 . A A . 27 GLU OE2 1 1 1 402 1 1 29 THR C C 6.528 -2.420 -0.835 1.00 . A A . 28 THR C 1 1 1 403 1 1 29 THR CA C 7.551 -1.642 -0.016 1.00 . A A . 28 THR CA 1 1 1 404 1 1 29 THR CB C 7.468 -2.097 1.454 1.00 . A A . 28 THR CB 1 1 1 405 1 1 29 THR CG2 C 6.623 -3.355 1.583 1.00 . A A . 28 THR CG2 1 1 1 406 1 1 29 THR H H 6.772 0.254 0.513 1.00 . A A . 28 THR H 1 1 1 407 1 1 29 THR HA H 8.541 -1.868 -0.385 1.00 . A A . 28 THR HA 1 1 1 408 1 1 29 THR HB H 7.006 -1.311 2.033 1.00 . A A . 28 THR HB 1 1 1 409 1 1 29 THR HG1 H 9.161 -3.106 1.521 1.00 . A A . 28 THR HG1 1 1 1 410 1 1 29 THR HG21 H 6.611 -3.677 2.614 1.00 . A A . 28 THR HG21 1 1 1 411 1 1 29 THR HG22 H 7.044 -4.137 0.968 1.00 . A A . 28 THR HG22 1 1 1 412 1 1 29 THR HG23 H 5.614 -3.147 1.260 1.00 . A A . 28 THR HG23 1 1 1 413 1 1 29 THR N N 7.342 -0.206 -0.140 1.00 . A A . 28 THR N 1 1 1 414 1 1 29 THR O O 5.372 -2.020 -0.970 1.00 . A A . 28 THR O 1 1 1 415 1 1 29 THR OG1 O 8.783 -2.344 1.966 1.00 . A A . 28 THR OG1 1 1 1 416 1 1 30 PRO C C 5.027 -5.118 -1.383 1.00 . A A . 29 PRO C 1 1 1 417 1 1 30 PRO CA C 6.097 -4.416 -2.213 1.00 . A A . 29 PRO CA 1 1 1 418 1 1 30 PRO CB C 7.071 -5.440 -2.805 1.00 . A A . 29 PRO CB 1 1 1 419 1 1 30 PRO CD C 8.327 -4.096 -1.279 1.00 . A A . 29 PRO CD 1 1 1 420 1 1 30 PRO CG C 8.205 -5.485 -1.840 1.00 . A A . 29 PRO CG 1 1 1 421 1 1 30 PRO HA H 5.627 -3.862 -3.011 1.00 . A A . 29 PRO HA 1 1 1 422 1 1 30 PRO HB2 H 6.582 -6.400 -2.886 1.00 . A A . 29 PRO HB2 1 1 1 423 1 1 30 PRO HB3 H 7.395 -5.110 -3.780 1.00 . A A . 29 PRO HB3 1 1 1 424 1 1 30 PRO HD2 H 8.639 -4.132 -0.245 1.00 . A A . 29 PRO HD2 1 1 1 425 1 1 30 PRO HD3 H 9.022 -3.512 -1.864 1.00 . A A . 29 PRO HD3 1 1 1 426 1 1 30 PRO HG2 H 7.989 -6.190 -1.052 1.00 . A A . 29 PRO HG2 1 1 1 427 1 1 30 PRO HG3 H 9.113 -5.762 -2.355 1.00 . A A . 29 PRO HG3 1 1 1 428 1 1 30 PRO N N 6.961 -3.559 -1.397 1.00 . A A . 29 PRO N 1 1 1 429 1 1 30 PRO O O 5.331 -5.976 -0.555 1.00 . A A . 29 PRO O 1 1 1 430 1 1 31 LYS C C 2.693 -6.863 -0.978 1.00 . A A . 30 LYS C 1 1 1 431 1 1 31 LYS CA C 2.655 -5.341 -0.886 1.00 . A A . 30 LYS CA 1 1 1 432 1 1 31 LYS CB C 1.325 -4.821 -1.440 1.00 . A A . 30 LYS CB 1 1 1 433 1 1 31 LYS CD C -1.050 -5.509 -1.875 1.00 . A A . 30 LYS CD 1 1 1 434 1 1 31 LYS CE C -2.050 -4.425 -1.504 1.00 . A A . 30 LYS CE 1 1 1 435 1 1 31 LYS CG C 0.112 -5.553 -0.897 1.00 . A A . 30 LYS CG 1 1 1 436 1 1 31 LYS H H 3.592 -4.057 -2.284 1.00 . A A . 30 LYS H 1 1 1 437 1 1 31 LYS HA H 2.740 -5.053 0.151 1.00 . A A . 30 LYS HA 1 1 1 438 1 1 31 LYS HB2 H 1.231 -3.774 -1.190 1.00 . A A . 30 LYS HB2 1 1 1 439 1 1 31 LYS HB3 H 1.332 -4.925 -2.515 1.00 . A A . 30 LYS HB3 1 1 1 440 1 1 31 LYS HD2 H -0.669 -5.307 -2.864 1.00 . A A . 30 LYS HD2 1 1 1 441 1 1 31 LYS HD3 H -1.552 -6.467 -1.869 1.00 . A A . 30 LYS HD3 1 1 1 442 1 1 31 LYS HE2 H -2.384 -4.592 -0.491 1.00 . A A . 30 LYS HE2 1 1 1 443 1 1 31 LYS HE3 H -1.560 -3.465 -1.567 1.00 . A A . 30 LYS HE3 1 1 1 444 1 1 31 LYS HG2 H 0.376 -6.584 -0.715 1.00 . A A . 30 LYS HG2 1 1 1 445 1 1 31 LYS HG3 H -0.192 -5.089 0.031 1.00 . A A . 30 LYS HG3 1 1 1 446 1 1 31 LYS HZ1 H -3.545 -3.451 -2.590 1.00 . A A . 30 LYS HZ1 1 1 1 447 1 1 31 LYS HZ2 H -4.015 -4.953 -1.975 1.00 . A A . 30 LYS HZ2 1 1 1 448 1 1 31 LYS HZ3 H -2.987 -4.874 -3.316 1.00 . A A . 30 LYS HZ3 1 1 1 449 1 1 31 LYS N N 3.771 -4.747 -1.611 1.00 . A A . 30 LYS N 1 1 1 450 1 1 31 LYS NZ N -3.232 -4.426 -2.410 1.00 . A A . 30 LYS NZ 1 1 1 451 1 1 31 LYS O O 3.054 -7.438 -2.006 1.00 . A A . 30 LYS O 1 1 1 452 1 1 32 PRO C C 1.198 -9.604 -0.684 1.00 . A A . 31 PRO C 1 1 1 453 1 1 32 PRO CA C 2.294 -8.998 0.186 1.00 . A A . 31 PRO CA 1 1 1 454 1 1 32 PRO CB C 2.021 -9.282 1.665 1.00 . A A . 31 PRO CB 1 1 1 455 1 1 32 PRO CD C 1.870 -6.913 1.379 1.00 . A A . 31 PRO CD 1 1 1 456 1 1 32 PRO CG C 1.308 -8.071 2.158 1.00 . A A . 31 PRO CG 1 1 1 457 1 1 32 PRO HA H 3.248 -9.420 -0.093 1.00 . A A . 31 PRO HA 1 1 1 458 1 1 32 PRO HB2 H 1.407 -10.167 1.757 1.00 . A A . 31 PRO HB2 1 1 1 459 1 1 32 PRO HB3 H 2.955 -9.429 2.185 1.00 . A A . 31 PRO HB3 1 1 1 460 1 1 32 PRO HD2 H 1.105 -6.174 1.197 1.00 . A A . 31 PRO HD2 1 1 1 461 1 1 32 PRO HD3 H 2.705 -6.474 1.906 1.00 . A A . 31 PRO HD3 1 1 1 462 1 1 32 PRO HG2 H 0.249 -8.167 1.974 1.00 . A A . 31 PRO HG2 1 1 1 463 1 1 32 PRO HG3 H 1.496 -7.938 3.213 1.00 . A A . 31 PRO HG3 1 1 1 464 1 1 32 PRO N N 2.312 -7.534 0.120 1.00 . A A . 31 PRO N 1 1 1 465 1 1 32 PRO O O 0.127 -9.011 -0.802 1.00 . A A . 31 PRO O 1 1 1 466 2 2 1 ZN ZN ZN 6.574 0.769 4.613 1.00 . B A . 32 ZN ZN 1 1 2 467 1 1 2 HIS C C -13.216 5.806 2.962 1.00 . A A . 1 HIS C 1 1 2 468 1 1 2 HIS CA C -13.440 6.875 4.027 1.00 . A A . 1 HIS CA 1 1 2 469 1 1 2 HIS CB C -12.958 6.366 5.386 1.00 . A A . 1 HIS CB 1 1 2 470 1 1 2 HIS CD2 C -11.504 7.706 7.065 1.00 . A A . 1 HIS CD2 1 1 2 471 1 1 2 HIS CE1 C -12.947 9.281 7.554 1.00 . A A . 1 HIS CE1 1 1 2 472 1 1 2 HIS CG C -12.629 7.461 6.353 1.00 . A A . 1 HIS CG 1 1 2 473 1 1 2 HIS H H -15.519 6.559 4.280 1.00 . A A . 1 HIS H 1 1 2 474 1 1 2 HIS HA H -12.876 7.755 3.761 1.00 . A A . 1 HIS HA 1 1 2 475 1 1 2 HIS HB2 H -13.731 5.755 5.829 1.00 . A A . 1 HIS HB2 1 1 2 476 1 1 2 HIS HB3 H -12.069 5.768 5.245 1.00 . A A . 1 HIS HB3 1 1 2 477 1 1 2 HIS HD1 H -14.422 8.567 6.329 1.00 . A A . 1 HIS HD1 1 1 2 478 1 1 2 HIS HD2 H -10.598 7.116 7.054 1.00 . A A . 1 HIS HD2 1 1 2 479 1 1 2 HIS HE1 H -13.403 10.158 7.989 1.00 . A A . 1 HIS HE1 1 1 2 480 1 1 2 HIS N N -14.848 7.250 4.098 1.00 . A A . 1 HIS N 1 1 2 481 1 1 2 HIS ND1 N -13.515 8.466 6.683 1.00 . A A . 1 HIS ND1 1 1 2 482 1 1 2 HIS NE2 N -11.727 8.842 7.803 1.00 . A A . 1 HIS NE2 1 1 2 483 1 1 2 HIS O O -13.912 4.791 2.930 1.00 . A A . 1 HIS O 1 1 2 484 1 1 3 MET C C -10.990 4.002 1.527 1.00 . A A . 2 MET C 1 1 2 485 1 1 3 MET CA C -11.924 5.099 1.025 1.00 . A A . 2 MET CA 1 1 2 486 1 1 3 MET CB C -11.283 5.829 -0.158 1.00 . A A . 2 MET CB 1 1 2 487 1 1 3 MET CE C -12.513 4.724 -3.256 1.00 . A A . 2 MET CE 1 1 2 488 1 1 3 MET CG C -12.293 6.457 -1.104 1.00 . A A . 2 MET CG 1 1 2 489 1 1 3 MET H H -11.719 6.868 2.167 1.00 . A A . 2 MET H 1 1 2 490 1 1 3 MET HA H -12.848 4.647 0.698 1.00 . A A . 2 MET HA 1 1 2 491 1 1 3 MET HB2 H -10.643 6.611 0.222 1.00 . A A . 2 MET HB2 1 1 2 492 1 1 3 MET HB3 H -10.685 5.126 -0.718 1.00 . A A . 2 MET HB3 1 1 2 493 1 1 3 MET HE1 H -11.703 4.077 -2.955 1.00 . A A . 2 MET HE1 1 1 2 494 1 1 3 MET HE2 H -13.171 4.191 -3.926 1.00 . A A . 2 MET HE2 1 1 2 495 1 1 3 MET HE3 H -12.111 5.591 -3.761 1.00 . A A . 2 MET HE3 1 1 2 496 1 1 3 MET HG2 H -12.866 7.194 -0.562 1.00 . A A . 2 MET HG2 1 1 2 497 1 1 3 MET HG3 H -11.758 6.941 -1.909 1.00 . A A . 2 MET HG3 1 1 2 498 1 1 3 MET N N -12.240 6.042 2.091 1.00 . A A . 2 MET N 1 1 2 499 1 1 3 MET O O -9.864 3.864 1.047 1.00 . A A . 2 MET O 1 1 2 500 1 1 3 MET SD S -13.430 5.247 -1.809 1.00 . A A . 2 MET SD 1 1 2 501 1 1 4 VAL C C -11.530 0.907 3.314 1.00 . A A . 3 VAL C 1 1 2 502 1 1 4 VAL CA C -10.672 2.142 3.063 1.00 . A A . 3 VAL CA 1 1 2 503 1 1 4 VAL CB C -10.003 2.566 4.384 1.00 . A A . 3 VAL CB 1 1 2 504 1 1 4 VAL CG1 C -9.653 1.345 5.222 1.00 . A A . 3 VAL CG1 1 1 2 505 1 1 4 VAL CG2 C -8.766 3.407 4.109 1.00 . A A . 3 VAL CG2 1 1 2 506 1 1 4 VAL H H -12.369 3.385 2.837 1.00 . A A . 3 VAL H 1 1 2 507 1 1 4 VAL HA H -9.895 1.890 2.356 1.00 . A A . 3 VAL HA 1 1 2 508 1 1 4 VAL HB H -10.706 3.168 4.942 1.00 . A A . 3 VAL HB 1 1 2 509 1 1 4 VAL HG11 H -9.154 0.614 4.601 1.00 . A A . 3 VAL HG11 1 1 2 510 1 1 4 VAL HG12 H -9.000 1.638 6.030 1.00 . A A . 3 VAL HG12 1 1 2 511 1 1 4 VAL HG13 H -10.557 0.915 5.627 1.00 . A A . 3 VAL HG13 1 1 2 512 1 1 4 VAL HG21 H -8.141 3.426 4.989 1.00 . A A . 3 VAL HG21 1 1 2 513 1 1 4 VAL HG22 H -8.214 2.976 3.286 1.00 . A A . 3 VAL HG22 1 1 2 514 1 1 4 VAL HG23 H -9.063 4.413 3.855 1.00 . A A . 3 VAL HG23 1 1 2 515 1 1 4 VAL N N -11.465 3.226 2.496 1.00 . A A . 3 VAL N 1 1 2 516 1 1 4 VAL O O -12.635 1.004 3.850 1.00 . A A . 3 VAL O 1 1 2 517 1 1 5 ILE C C -10.881 -2.526 3.862 1.00 . A A . 4 ILE C 1 1 2 518 1 1 5 ILE CA C -11.734 -1.509 3.110 1.00 . A A . 4 ILE CA 1 1 2 519 1 1 5 ILE CB C -12.165 -2.115 1.761 1.00 . A A . 4 ILE CB 1 1 2 520 1 1 5 ILE CD1 C -14.305 -0.772 1.458 1.00 . A A . 4 ILE CD1 1 1 2 521 1 1 5 ILE CG1 C -12.922 -1.077 0.929 1.00 . A A . 4 ILE CG1 1 1 2 522 1 1 5 ILE CG2 C -13.024 -3.351 1.986 1.00 . A A . 4 ILE CG2 1 1 2 523 1 1 5 ILE H H -10.130 -0.268 2.504 1.00 . A A . 4 ILE H 1 1 2 524 1 1 5 ILE HA H -12.622 -1.302 3.688 1.00 . A A . 4 ILE HA 1 1 2 525 1 1 5 ILE HB H -11.277 -2.416 1.226 1.00 . A A . 4 ILE HB 1 1 2 526 1 1 5 ILE HD11 H -15.031 -0.913 0.671 1.00 . A A . 4 ILE HD11 1 1 2 527 1 1 5 ILE HD12 H -14.532 -1.433 2.280 1.00 . A A . 4 ILE HD12 1 1 2 528 1 1 5 ILE HD13 H -14.342 0.253 1.800 1.00 . A A . 4 ILE HD13 1 1 2 529 1 1 5 ILE HG12 H -12.361 -0.156 0.918 1.00 . A A . 4 ILE HG12 1 1 2 530 1 1 5 ILE HG13 H -13.025 -1.443 -0.082 1.00 . A A . 4 ILE HG13 1 1 2 531 1 1 5 ILE HG21 H -13.220 -3.465 3.041 1.00 . A A . 4 ILE HG21 1 1 2 532 1 1 5 ILE HG22 H -13.959 -3.239 1.457 1.00 . A A . 4 ILE HG22 1 1 2 533 1 1 5 ILE HG23 H -12.504 -4.222 1.619 1.00 . A A . 4 ILE HG23 1 1 2 534 1 1 5 ILE N N -11.014 -0.254 2.924 1.00 . A A . 4 ILE N 1 1 2 535 1 1 5 ILE O O -11.381 -3.550 4.323 1.00 . A A . 4 ILE O 1 1 2 536 1 1 6 GLY C C -7.239 -2.699 4.569 1.00 . A A . 5 GLY C 1 1 2 537 1 1 6 GLY CA C -8.688 -3.131 4.680 1.00 . A A . 5 GLY CA 1 1 2 538 1 1 6 GLY H H -9.246 -1.402 3.594 1.00 . A A . 5 GLY H 1 1 2 539 1 1 6 GLY HA2 H -8.965 -3.161 5.723 1.00 . A A . 5 GLY HA2 1 1 2 540 1 1 6 GLY HA3 H -8.789 -4.122 4.261 1.00 . A A . 5 GLY HA3 1 1 2 541 1 1 6 GLY N N -9.589 -2.234 3.981 1.00 . A A . 5 GLY N 1 1 2 542 1 1 6 GLY O O -6.413 -3.410 3.995 1.00 . A A . 5 GLY O 1 1 2 543 1 1 7 THR C C -4.588 -1.958 5.741 1.00 . A A . 6 THR C 1 1 2 544 1 1 7 THR CA C -5.570 -1.001 5.075 1.00 . A A . 6 THR CA 1 1 2 545 1 1 7 THR CB C -5.479 0.372 5.764 1.00 . A A . 6 THR CB 1 1 2 546 1 1 7 THR CG2 C -6.255 1.423 4.984 1.00 . A A . 6 THR CG2 1 1 2 547 1 1 7 THR H H -7.630 -1.008 5.560 1.00 . A A . 6 THR H 1 1 2 548 1 1 7 THR HA H -5.292 -0.880 4.038 1.00 . A A . 6 THR HA 1 1 2 549 1 1 7 THR HB H -4.440 0.670 5.805 1.00 . A A . 6 THR HB 1 1 2 550 1 1 7 THR HG1 H -5.666 -0.514 7.516 1.00 . A A . 6 THR HG1 1 1 2 551 1 1 7 THR HG21 H -6.898 1.969 5.657 1.00 . A A . 6 THR HG21 1 1 2 552 1 1 7 THR HG22 H -6.854 0.939 4.227 1.00 . A A . 6 THR HG22 1 1 2 553 1 1 7 THR HG23 H -5.562 2.105 4.514 1.00 . A A . 6 THR HG23 1 1 2 554 1 1 7 THR N N -6.928 -1.529 5.117 1.00 . A A . 6 THR N 1 1 2 555 1 1 7 THR O O -4.871 -2.512 6.804 1.00 . A A . 6 THR O 1 1 2 556 1 1 7 THR OG1 O -5.993 0.286 7.098 1.00 . A A . 6 THR OG1 1 1 2 557 1 1 8 TRP C C -1.268 -2.242 6.269 1.00 . A A . 7 TRP C 1 1 2 558 1 1 8 TRP CA C -2.410 -3.038 5.644 1.00 . A A . 7 TRP CA 1 1 2 559 1 1 8 TRP CB C -1.868 -3.946 4.539 1.00 . A A . 7 TRP CB 1 1 2 560 1 1 8 TRP CD1 C -2.615 -2.817 2.363 1.00 . A A . 7 TRP CD1 1 1 2 561 1 1 8 TRP CD2 C -0.397 -2.859 2.663 1.00 . A A . 7 TRP CD2 1 1 2 562 1 1 8 TRP CE2 C -0.672 -2.217 1.440 1.00 . A A . 7 TRP CE2 1 1 2 563 1 1 8 TRP CE3 C 0.935 -3.001 3.065 1.00 . A A . 7 TRP CE3 1 1 2 564 1 1 8 TRP CG C -1.653 -3.235 3.238 1.00 . A A . 7 TRP CG 1 1 2 565 1 1 8 TRP CH2 C 1.629 -1.873 1.034 1.00 . A A . 7 TRP CH2 1 1 2 566 1 1 8 TRP CZ2 C 0.335 -1.721 0.617 1.00 . A A . 7 TRP CZ2 1 1 2 567 1 1 8 TRP CZ3 C 1.933 -2.508 2.246 1.00 . A A . 7 TRP CZ3 1 1 2 568 1 1 8 TRP H H -3.267 -1.677 4.267 1.00 . A A . 7 TRP H 1 1 2 569 1 1 8 TRP HA H -2.867 -3.649 6.408 1.00 . A A . 7 TRP HA 1 1 2 570 1 1 8 TRP HB2 H -0.922 -4.360 4.853 1.00 . A A . 7 TRP HB2 1 1 2 571 1 1 8 TRP HB3 H -2.570 -4.750 4.369 1.00 . A A . 7 TRP HB3 1 1 2 572 1 1 8 TRP HD1 H -3.674 -2.957 2.512 1.00 . A A . 7 TRP HD1 1 1 2 573 1 1 8 TRP HE1 H -2.514 -1.821 0.516 1.00 . A A . 7 TRP HE1 1 1 2 574 1 1 8 TRP HE3 H 1.189 -3.487 3.995 1.00 . A A . 7 TRP HE3 1 1 2 575 1 1 8 TRP HH2 H 2.441 -1.504 0.427 1.00 . A A . 7 TRP HH2 1 1 2 576 1 1 8 TRP HZ2 H 0.117 -1.228 -0.319 1.00 . A A . 7 TRP HZ2 1 1 2 577 1 1 8 TRP HZ3 H 2.968 -2.609 2.539 1.00 . A A . 7 TRP HZ3 1 1 2 578 1 1 8 TRP N N -3.434 -2.147 5.111 1.00 . A A . 7 TRP N 1 1 2 579 1 1 8 TRP NE1 N -2.033 -2.205 1.279 1.00 . A A . 7 TRP NE1 1 1 2 580 1 1 8 TRP O O -0.846 -1.219 5.731 1.00 . A A . 7 TRP O 1 1 2 581 1 1 9 ASP C C 1.662 -2.660 7.717 1.00 . A A . 8 ASP C 1 1 2 582 1 1 9 ASP CA C 0.318 -2.051 8.104 1.00 . A A . 8 ASP CA 1 1 2 583 1 1 9 ASP CB C 0.119 -2.144 9.617 1.00 . A A . 8 ASP CB 1 1 2 584 1 1 9 ASP CG C -1.342 -2.061 10.015 1.00 . A A . 8 ASP CG 1 1 2 585 1 1 9 ASP H H -1.154 -3.538 7.786 1.00 . A A . 8 ASP H 1 1 2 586 1 1 9 ASP HA H 0.312 -1.011 7.813 1.00 . A A . 8 ASP HA 1 1 2 587 1 1 9 ASP HB2 H 0.514 -3.087 9.968 1.00 . A A . 8 ASP HB2 1 1 2 588 1 1 9 ASP HB3 H 0.651 -1.335 10.095 1.00 . A A . 8 ASP HB3 1 1 2 589 1 1 9 ASP N N -0.775 -2.718 7.407 1.00 . A A . 8 ASP N 1 1 2 590 1 1 9 ASP O O 1.819 -3.881 7.693 1.00 . A A . 8 ASP O 1 1 2 591 1 1 9 ASP OD1 O -2.151 -1.573 9.199 1.00 . A A . 8 ASP OD1 1 1 2 592 1 1 9 ASP OD2 O -1.675 -2.483 11.142 1.00 . A A . 8 ASP OD2 1 1 2 593 1 1 10 CYS C C 4.588 -3.105 8.125 1.00 . A A . 9 CYS C 1 1 2 594 1 1 10 CYS CA C 3.961 -2.255 7.025 1.00 . A A . 9 CYS CA 1 1 2 595 1 1 10 CYS CB C 4.860 -1.056 6.715 1.00 . A A . 9 CYS CB 1 1 2 596 1 1 10 CYS H H 2.444 -0.839 7.450 1.00 . A A . 9 CYS H 1 1 2 597 1 1 10 CYS HA H 3.860 -2.857 6.134 1.00 . A A . 9 CYS HA 1 1 2 598 1 1 10 CYS HB2 H 4.260 -0.267 6.286 1.00 . A A . 9 CYS HB2 1 1 2 599 1 1 10 CYS HB3 H 5.306 -0.704 7.634 1.00 . A A . 9 CYS HB3 1 1 2 600 1 1 10 CYS N N 2.630 -1.802 7.413 1.00 . A A . 9 CYS N 1 1 2 601 1 1 10 CYS O O 4.014 -3.266 9.203 1.00 . A A . 9 CYS O 1 1 2 602 1 1 10 CYS SG S 6.210 -1.421 5.548 1.00 . A A . 9 CYS SG 1 1 2 603 1 1 11 ASP C C 7.951 -4.095 8.884 1.00 . A A . 10 ASP C 1 1 2 604 1 1 11 ASP CA C 6.475 -4.478 8.813 1.00 . A A . 10 ASP CA 1 1 2 605 1 1 11 ASP CB C 6.336 -5.956 8.443 1.00 . A A . 10 ASP CB 1 1 2 606 1 1 11 ASP CG C 7.076 -6.866 9.405 1.00 . A A . 10 ASP CG 1 1 2 607 1 1 11 ASP H H 6.176 -3.480 6.970 1.00 . A A . 10 ASP H 1 1 2 608 1 1 11 ASP HA H 6.028 -4.315 9.781 1.00 . A A . 10 ASP HA 1 1 2 609 1 1 11 ASP HB2 H 5.290 -6.226 8.454 1.00 . A A . 10 ASP HB2 1 1 2 610 1 1 11 ASP HB3 H 6.734 -6.111 7.452 1.00 . A A . 10 ASP HB3 1 1 2 611 1 1 11 ASP N N 5.769 -3.646 7.847 1.00 . A A . 10 ASP N 1 1 2 612 1 1 11 ASP O O 8.748 -4.768 9.539 1.00 . A A . 10 ASP O 1 1 2 613 1 1 11 ASP OD1 O 6.566 -7.085 10.524 1.00 . A A . 10 ASP OD1 1 1 2 614 1 1 11 ASP OD2 O 8.163 -7.358 9.038 1.00 . A A . 10 ASP OD2 1 1 2 615 1 1 12 THR C C 9.771 -1.069 8.579 1.00 . A A . 11 THR C 1 1 2 616 1 1 12 THR CA C 9.688 -2.540 8.187 1.00 . A A . 11 THR CA 1 1 2 617 1 1 12 THR CB C 10.329 -2.727 6.798 1.00 . A A . 11 THR CB 1 1 2 618 1 1 12 THR CG2 C 11.479 -1.752 6.598 1.00 . A A . 11 THR CG2 1 1 2 619 1 1 12 THR H H 7.628 -2.517 7.700 1.00 . A A . 11 THR H 1 1 2 620 1 1 12 THR HA H 10.249 -3.125 8.901 1.00 . A A . 11 THR HA 1 1 2 621 1 1 12 THR HB H 9.579 -2.537 6.044 1.00 . A A . 11 THR HB 1 1 2 622 1 1 12 THR HG1 H 10.314 -4.648 7.245 1.00 . A A . 11 THR HG1 1 1 2 623 1 1 12 THR HG21 H 11.114 -0.862 6.106 1.00 . A A . 11 THR HG21 1 1 2 624 1 1 12 THR HG22 H 12.241 -2.213 5.988 1.00 . A A . 11 THR HG22 1 1 2 625 1 1 12 THR HG23 H 11.897 -1.486 7.557 1.00 . A A . 11 THR HG23 1 1 2 626 1 1 12 THR N N 8.309 -3.011 8.204 1.00 . A A . 11 THR N 1 1 2 627 1 1 12 THR O O 10.501 -0.702 9.501 1.00 . A A . 11 THR O 1 1 2 628 1 1 12 THR OG1 O 10.805 -4.070 6.656 1.00 . A A . 11 THR OG1 1 1 2 629 1 1 13 CYS C C 7.890 1.560 9.122 1.00 . A A . 12 CYS C 1 1 2 630 1 1 13 CYS CA C 9.008 1.201 8.147 1.00 . A A . 12 CYS CA 1 1 2 631 1 1 13 CYS CB C 8.837 1.989 6.847 1.00 . A A . 12 CYS CB 1 1 2 632 1 1 13 CYS H H 8.458 -0.583 7.150 1.00 . A A . 12 CYS H 1 1 2 633 1 1 13 CYS HA H 9.955 1.462 8.594 1.00 . A A . 12 CYS HA 1 1 2 634 1 1 13 CYS HB2 H 9.328 2.947 6.948 1.00 . A A . 12 CYS HB2 1 1 2 635 1 1 13 CYS HB3 H 9.296 1.439 6.039 1.00 . A A . 12 CYS HB3 1 1 2 636 1 1 13 CYS N N 9.019 -0.231 7.873 1.00 . A A . 12 CYS N 1 1 2 637 1 1 13 CYS O O 7.924 2.610 9.765 1.00 . A A . 12 CYS O 1 1 2 638 1 1 13 CYS SG S 7.102 2.302 6.390 1.00 . A A . 12 CYS SG 1 1 2 639 1 1 14 LEU C C 4.853 1.994 9.584 1.00 . A A . 13 LEU C 1 1 2 640 1 1 14 LEU CA C 5.771 0.902 10.124 1.00 . A A . 13 LEU CA 1 1 2 641 1 1 14 LEU CB C 6.270 1.283 11.519 1.00 . A A . 13 LEU CB 1 1 2 642 1 1 14 LEU CD1 C 7.746 0.794 13.486 1.00 . A A . 13 LEU CD1 1 1 2 643 1 1 14 LEU CD2 C 7.473 -0.911 11.676 1.00 . A A . 13 LEU CD2 1 1 2 644 1 1 14 LEU CG C 7.539 0.576 11.995 1.00 . A A . 13 LEU CG 1 1 2 645 1 1 14 LEU H H 6.928 -0.139 8.690 1.00 . A A . 13 LEU H 1 1 2 646 1 1 14 LEU HA H 5.214 -0.020 10.189 1.00 . A A . 13 LEU HA 1 1 2 647 1 1 14 LEU HB2 H 6.461 2.345 11.523 1.00 . A A . 13 LEU HB2 1 1 2 648 1 1 14 LEU HB3 H 5.481 1.059 12.224 1.00 . A A . 13 LEU HB3 1 1 2 649 1 1 14 LEU HD11 H 8.787 1.006 13.677 1.00 . A A . 13 LEU HD11 1 1 2 650 1 1 14 LEU HD12 H 7.456 -0.096 14.023 1.00 . A A . 13 LEU HD12 1 1 2 651 1 1 14 LEU HD13 H 7.141 1.627 13.814 1.00 . A A . 13 LEU HD13 1 1 2 652 1 1 14 LEU HD21 H 8.098 -1.123 10.820 1.00 . A A . 13 LEU HD21 1 1 2 653 1 1 14 LEU HD22 H 6.452 -1.186 11.453 1.00 . A A . 13 LEU HD22 1 1 2 654 1 1 14 LEU HD23 H 7.822 -1.477 12.526 1.00 . A A . 13 LEU HD23 1 1 2 655 1 1 14 LEU HG H 8.392 0.992 11.475 1.00 . A A . 13 LEU HG 1 1 2 656 1 1 14 LEU N N 6.900 0.680 9.228 1.00 . A A . 13 LEU N 1 1 2 657 1 1 14 LEU O O 4.802 3.100 10.123 1.00 . A A . 13 LEU O 1 1 2 658 1 1 15 VAL C C 2.004 1.917 7.298 1.00 . A A . 14 VAL C 1 1 2 659 1 1 15 VAL CA C 3.208 2.628 7.906 1.00 . A A . 14 VAL CA 1 1 2 660 1 1 15 VAL CB C 3.906 3.459 6.813 1.00 . A A . 14 VAL CB 1 1 2 661 1 1 15 VAL CG1 C 2.892 4.301 6.053 1.00 . A A . 14 VAL CG1 1 1 2 662 1 1 15 VAL CG2 C 4.991 4.334 7.421 1.00 . A A . 14 VAL CG2 1 1 2 663 1 1 15 VAL H H 4.210 0.778 8.133 1.00 . A A . 14 VAL H 1 1 2 664 1 1 15 VAL HA H 2.864 3.302 8.677 1.00 . A A . 14 VAL HA 1 1 2 665 1 1 15 VAL HB H 4.370 2.779 6.114 1.00 . A A . 14 VAL HB 1 1 2 666 1 1 15 VAL HG11 H 2.636 3.807 5.127 1.00 . A A . 14 VAL HG11 1 1 2 667 1 1 15 VAL HG12 H 2.003 4.424 6.654 1.00 . A A . 14 VAL HG12 1 1 2 668 1 1 15 VAL HG13 H 3.318 5.270 5.838 1.00 . A A . 14 VAL HG13 1 1 2 669 1 1 15 VAL HG21 H 4.535 5.181 7.913 1.00 . A A . 14 VAL HG21 1 1 2 670 1 1 15 VAL HG22 H 5.555 3.761 8.141 1.00 . A A . 14 VAL HG22 1 1 2 671 1 1 15 VAL HG23 H 5.651 4.683 6.641 1.00 . A A . 14 VAL HG23 1 1 2 672 1 1 15 VAL N N 4.126 1.675 8.518 1.00 . A A . 14 VAL N 1 1 2 673 1 1 15 VAL O O 2.152 0.926 6.584 1.00 . A A . 14 VAL O 1 1 2 674 1 1 16 GLN C C -0.685 2.314 5.642 1.00 . A A . 15 GLN C 1 1 2 675 1 1 16 GLN CA C -0.418 1.845 7.068 1.00 . A A . 15 GLN CA 1 1 2 676 1 1 16 GLN CB C -1.601 2.209 7.968 1.00 . A A . 15 GLN CB 1 1 2 677 1 1 16 GLN CD C -0.514 2.798 10.172 1.00 . A A . 15 GLN CD 1 1 2 678 1 1 16 GLN CG C -1.400 1.821 9.423 1.00 . A A . 15 GLN CG 1 1 2 679 1 1 16 GLN H H 0.759 3.222 8.162 1.00 . A A . 15 GLN H 1 1 2 680 1 1 16 GLN HA H -0.298 0.772 7.065 1.00 . A A . 15 GLN HA 1 1 2 681 1 1 16 GLN HB2 H -1.758 3.276 7.921 1.00 . A A . 15 GLN HB2 1 1 2 682 1 1 16 GLN HB3 H -2.484 1.707 7.603 1.00 . A A . 15 GLN HB3 1 1 2 683 1 1 16 GLN HE21 H -0.227 1.467 11.621 1.00 . A A . 15 GLN HE21 1 1 2 684 1 1 16 GLN HE22 H 0.570 2.987 11.827 1.00 . A A . 15 GLN HE22 1 1 2 685 1 1 16 GLN HG2 H -2.362 1.787 9.910 1.00 . A A . 15 GLN HG2 1 1 2 686 1 1 16 GLN HG3 H -0.943 0.843 9.462 1.00 . A A . 15 GLN HG3 1 1 2 687 1 1 16 GLN N N 0.812 2.432 7.587 1.00 . A A . 15 GLN N 1 1 2 688 1 1 16 GLN NE2 N -0.006 2.375 11.323 1.00 . A A . 15 GLN NE2 1 1 2 689 1 1 16 GLN O O -0.337 3.434 5.271 1.00 . A A . 15 GLN O 1 1 2 690 1 1 16 GLN OE1 O -0.290 3.922 9.720 1.00 . A A . 15 GLN OE1 1 1 2 691 1 1 17 ASN C C -2.949 1.153 3.042 1.00 . A A . 16 ASN C 1 1 2 692 1 1 17 ASN CA C -1.620 1.775 3.460 1.00 . A A . 16 ASN CA 1 1 2 693 1 1 17 ASN CB C -0.503 1.287 2.534 1.00 . A A . 16 ASN CB 1 1 2 694 1 1 17 ASN CG C 0.852 1.288 3.215 1.00 . A A . 16 ASN CG 1 1 2 695 1 1 17 ASN H H -1.560 0.570 5.199 1.00 . A A . 16 ASN H 1 1 2 696 1 1 17 ASN HA H -1.698 2.848 3.381 1.00 . A A . 16 ASN HA 1 1 2 697 1 1 17 ASN HB2 H -0.722 0.280 2.214 1.00 . A A . 16 ASN HB2 1 1 2 698 1 1 17 ASN HB3 H -0.452 1.932 1.670 1.00 . A A . 16 ASN HB3 1 1 2 699 1 1 17 ASN HD21 H 0.280 -0.192 4.412 1.00 . A A . 16 ASN HD21 1 1 2 700 1 1 17 ASN HD22 H 1.892 0.383 4.647 1.00 . A A . 16 ASN HD22 1 1 2 701 1 1 17 ASN N N -1.307 1.449 4.847 1.00 . A A . 16 ASN N 1 1 2 702 1 1 17 ASN ND2 N 1.026 0.404 4.189 1.00 . A A . 16 ASN ND2 1 1 2 703 1 1 17 ASN O O -3.400 0.170 3.632 1.00 . A A . 16 ASN O 1 1 2 704 1 1 17 ASN OD1 O 1.734 2.076 2.867 1.00 . A A . 16 ASN OD1 1 1 2 705 1 1 18 LYS C C -4.665 -0.087 0.779 1.00 . A A . 17 LYS C 1 1 2 706 1 1 18 LYS CA C -4.847 1.233 1.521 1.00 . A A . 17 LYS CA 1 1 2 707 1 1 18 LYS CB C -5.494 2.266 0.594 1.00 . A A . 17 LYS CB 1 1 2 708 1 1 18 LYS CD C -5.728 3.147 -1.746 1.00 . A A . 17 LYS CD 1 1 2 709 1 1 18 LYS CE C -5.061 3.280 -3.107 1.00 . A A . 17 LYS CE 1 1 2 710 1 1 18 LYS CG C -4.915 2.269 -0.810 1.00 . A A . 17 LYS CG 1 1 2 711 1 1 18 LYS H H -3.162 2.511 1.591 1.00 . A A . 17 LYS H 1 1 2 712 1 1 18 LYS HA H -5.495 1.069 2.369 1.00 . A A . 17 LYS HA 1 1 2 713 1 1 18 LYS HB2 H -6.551 2.059 0.525 1.00 . A A . 17 LYS HB2 1 1 2 714 1 1 18 LYS HB3 H -5.356 3.250 1.020 1.00 . A A . 17 LYS HB3 1 1 2 715 1 1 18 LYS HD2 H -6.706 2.709 -1.879 1.00 . A A . 17 LYS HD2 1 1 2 716 1 1 18 LYS HD3 H -5.829 4.130 -1.306 1.00 . A A . 17 LYS HD3 1 1 2 717 1 1 18 LYS HE2 H -4.738 2.303 -3.431 1.00 . A A . 17 LYS HE2 1 1 2 718 1 1 18 LYS HE3 H -5.780 3.674 -3.809 1.00 . A A . 17 LYS HE3 1 1 2 719 1 1 18 LYS HG2 H -3.903 2.642 -0.772 1.00 . A A . 17 LYS HG2 1 1 2 720 1 1 18 LYS HG3 H -4.914 1.258 -1.191 1.00 . A A . 17 LYS HG3 1 1 2 721 1 1 18 LYS HZ1 H -3.016 3.664 -3.295 1.00 . A A . 17 LYS HZ1 1 1 2 722 1 1 18 LYS HZ2 H -3.781 4.593 -2.107 1.00 . A A . 17 LYS HZ2 1 1 2 723 1 1 18 LYS HZ3 H -4.001 4.964 -3.743 1.00 . A A . 17 LYS HZ3 1 1 2 724 1 1 18 LYS N N -3.571 1.730 2.021 1.00 . A A . 17 LYS N 1 1 2 725 1 1 18 LYS NZ N -3.882 4.189 -3.060 1.00 . A A . 17 LYS NZ 1 1 2 726 1 1 18 LYS O O -3.637 -0.334 0.148 1.00 . A A . 17 LYS O 1 1 2 727 1 1 19 PRO C C -5.740 -2.148 -1.325 1.00 . A A . 18 PRO C 1 1 2 728 1 1 19 PRO CA C -5.660 -2.263 0.193 1.00 . A A . 18 PRO CA 1 1 2 729 1 1 19 PRO CB C -6.905 -2.962 0.743 1.00 . A A . 18 PRO CB 1 1 2 730 1 1 19 PRO CD C -6.940 -0.726 1.588 1.00 . A A . 18 PRO CD 1 1 2 731 1 1 19 PRO CG C -7.823 -1.852 1.128 1.00 . A A . 18 PRO CG 1 1 2 732 1 1 19 PRO HA H -4.779 -2.828 0.463 1.00 . A A . 18 PRO HA 1 1 2 733 1 1 19 PRO HB2 H -7.340 -3.587 -0.025 1.00 . A A . 18 PRO HB2 1 1 2 734 1 1 19 PRO HB3 H -6.636 -3.565 1.596 1.00 . A A . 18 PRO HB3 1 1 2 735 1 1 19 PRO HD2 H -7.374 0.227 1.321 1.00 . A A . 18 PRO HD2 1 1 2 736 1 1 19 PRO HD3 H -6.778 -0.784 2.654 1.00 . A A . 18 PRO HD3 1 1 2 737 1 1 19 PRO HG2 H -8.407 -1.546 0.274 1.00 . A A . 18 PRO HG2 1 1 2 738 1 1 19 PRO HG3 H -8.469 -2.173 1.931 1.00 . A A . 18 PRO HG3 1 1 2 739 1 1 19 PRO N N -5.684 -0.955 0.853 1.00 . A A . 18 PRO N 1 1 2 740 1 1 19 PRO O O -5.558 -3.131 -2.042 1.00 . A A . 18 PRO O 1 1 2 741 1 1 20 GLU C C -4.753 -0.373 -3.841 1.00 . A A . 19 GLU C 1 1 2 742 1 1 20 GLU CA C -6.119 -0.698 -3.243 1.00 . A A . 19 GLU CA 1 1 2 743 1 1 20 GLU CB C -7.096 0.448 -3.519 1.00 . A A . 19 GLU CB 1 1 2 744 1 1 20 GLU CD C -9.174 -0.761 -2.747 1.00 . A A . 19 GLU CD 1 1 2 745 1 1 20 GLU CG C -8.294 0.464 -2.587 1.00 . A A . 19 GLU CG 1 1 2 746 1 1 20 GLU H H -6.149 -0.196 -1.187 1.00 . A A . 19 GLU H 1 1 2 747 1 1 20 GLU HA H -6.496 -1.598 -3.705 1.00 . A A . 19 GLU HA 1 1 2 748 1 1 20 GLU HB2 H -6.570 1.385 -3.413 1.00 . A A . 19 GLU HB2 1 1 2 749 1 1 20 GLU HB3 H -7.456 0.360 -4.534 1.00 . A A . 19 GLU HB3 1 1 2 750 1 1 20 GLU HG2 H -7.942 0.503 -1.567 1.00 . A A . 19 GLU HG2 1 1 2 751 1 1 20 GLU HG3 H -8.885 1.343 -2.796 1.00 . A A . 19 GLU HG3 1 1 2 752 1 1 20 GLU N N -6.014 -0.940 -1.809 1.00 . A A . 19 GLU N 1 1 2 753 1 1 20 GLU O O -4.607 -0.267 -5.059 1.00 . A A . 19 GLU O 1 1 2 754 1 1 20 GLU OE1 O -9.366 -1.208 -3.896 1.00 . A A . 19 GLU OE1 1 1 2 755 1 1 20 GLU OE2 O -9.672 -1.271 -1.721 1.00 . A A . 19 GLU OE2 1 1 2 756 1 1 21 ALA C C -1.617 -1.177 -3.714 1.00 . A A . 20 ALA C 1 1 2 757 1 1 21 ALA CA C -2.403 0.096 -3.418 1.00 . A A . 20 ALA CA 1 1 2 758 1 1 21 ALA CB C -1.685 0.931 -2.369 1.00 . A A . 20 ALA CB 1 1 2 759 1 1 21 ALA H H -3.936 -0.313 -2.018 1.00 . A A . 20 ALA H 1 1 2 760 1 1 21 ALA HA H -2.475 0.681 -4.323 1.00 . A A . 20 ALA HA 1 1 2 761 1 1 21 ALA HB1 H -0.673 1.122 -2.694 1.00 . A A . 20 ALA HB1 1 1 2 762 1 1 21 ALA HB2 H -2.205 1.868 -2.238 1.00 . A A . 20 ALA HB2 1 1 2 763 1 1 21 ALA HB3 H -1.666 0.394 -1.433 1.00 . A A . 20 ALA HB3 1 1 2 764 1 1 21 ALA N N -3.757 -0.216 -2.976 1.00 . A A . 20 ALA N 1 1 2 765 1 1 21 ALA O O -2.088 -2.285 -3.453 1.00 . A A . 20 ALA O 1 1 2 766 1 1 22 ILE C C 1.688 -2.166 -3.722 1.00 . A A . 21 ILE C 1 1 2 767 1 1 22 ILE CA C 0.435 -2.147 -4.591 1.00 . A A . 21 ILE CA 1 1 2 768 1 1 22 ILE CB C 0.851 -2.126 -6.073 1.00 . A A . 21 ILE CB 1 1 2 769 1 1 22 ILE CD1 C 1.580 -4.564 -6.018 1.00 . A A . 21 ILE CD1 1 1 2 770 1 1 22 ILE CG1 C 1.972 -3.136 -6.325 1.00 . A A . 21 ILE CG1 1 1 2 771 1 1 22 ILE CG2 C 1.291 -0.727 -6.480 1.00 . A A . 21 ILE CG2 1 1 2 772 1 1 22 ILE H H -0.096 -0.104 -4.444 1.00 . A A . 21 ILE H 1 1 2 773 1 1 22 ILE HA H -0.130 -3.051 -4.410 1.00 . A A . 21 ILE HA 1 1 2 774 1 1 22 ILE HB H -0.007 -2.394 -6.670 1.00 . A A . 21 ILE HB 1 1 2 775 1 1 22 ILE HD11 H 2.435 -5.209 -6.147 1.00 . A A . 21 ILE HD11 1 1 2 776 1 1 22 ILE HD12 H 1.228 -4.630 -4.999 1.00 . A A . 21 ILE HD12 1 1 2 777 1 1 22 ILE HD13 H 0.792 -4.873 -6.690 1.00 . A A . 21 ILE HD13 1 1 2 778 1 1 22 ILE HG12 H 2.265 -3.090 -7.362 1.00 . A A . 21 ILE HG12 1 1 2 779 1 1 22 ILE HG13 H 2.820 -2.884 -5.705 1.00 . A A . 21 ILE HG13 1 1 2 780 1 1 22 ILE HG21 H 0.452 -0.195 -6.903 1.00 . A A . 21 ILE HG21 1 1 2 781 1 1 22 ILE HG22 H 1.651 -0.196 -5.610 1.00 . A A . 21 ILE HG22 1 1 2 782 1 1 22 ILE HG23 H 2.081 -0.796 -7.212 1.00 . A A . 21 ILE HG23 1 1 2 783 1 1 22 ILE N N -0.417 -1.011 -4.260 1.00 . A A . 21 ILE N 1 1 2 784 1 1 22 ILE O O 2.343 -3.199 -3.580 1.00 . A A . 21 ILE O 1 1 2 785 1 1 23 LYS C C 2.958 0.131 -1.183 1.00 . A A . 22 LYS C 1 1 2 786 1 1 23 LYS CA C 3.188 -0.901 -2.283 1.00 . A A . 22 LYS CA 1 1 2 787 1 1 23 LYS CB C 4.416 -0.513 -3.111 1.00 . A A . 22 LYS CB 1 1 2 788 1 1 23 LYS CD C 5.314 0.873 -5.004 1.00 . A A . 22 LYS CD 1 1 2 789 1 1 23 LYS CE C 5.059 2.056 -5.926 1.00 . A A . 22 LYS CE 1 1 2 790 1 1 23 LYS CG C 4.197 0.709 -3.986 1.00 . A A . 22 LYS CG 1 1 2 791 1 1 23 LYS H H 1.454 -0.227 -3.293 1.00 . A A . 22 LYS H 1 1 2 792 1 1 23 LYS HA H 3.363 -1.863 -1.825 1.00 . A A . 22 LYS HA 1 1 2 793 1 1 23 LYS HB2 H 5.237 -0.308 -2.441 1.00 . A A . 22 LYS HB2 1 1 2 794 1 1 23 LYS HB3 H 4.682 -1.344 -3.749 1.00 . A A . 22 LYS HB3 1 1 2 795 1 1 23 LYS HD2 H 6.245 1.033 -4.481 1.00 . A A . 22 LYS HD2 1 1 2 796 1 1 23 LYS HD3 H 5.382 -0.028 -5.598 1.00 . A A . 22 LYS HD3 1 1 2 797 1 1 23 LYS HE2 H 4.626 2.859 -5.348 1.00 . A A . 22 LYS HE2 1 1 2 798 1 1 23 LYS HE3 H 6.001 2.380 -6.343 1.00 . A A . 22 LYS HE3 1 1 2 799 1 1 23 LYS HG2 H 3.260 0.602 -4.512 1.00 . A A . 22 LYS HG2 1 1 2 800 1 1 23 LYS HG3 H 4.162 1.589 -3.359 1.00 . A A . 22 LYS HG3 1 1 2 801 1 1 23 LYS HZ1 H 3.447 2.472 -7.187 1.00 . A A . 22 LYS HZ1 1 1 2 802 1 1 23 LYS HZ2 H 3.613 0.833 -6.806 1.00 . A A . 22 LYS HZ2 1 1 2 803 1 1 23 LYS HZ3 H 4.667 1.553 -7.914 1.00 . A A . 22 LYS HZ3 1 1 2 804 1 1 23 LYS N N 2.015 -1.017 -3.141 1.00 . A A . 22 LYS N 1 1 2 805 1 1 23 LYS NZ N 4.132 1.703 -7.036 1.00 . A A . 22 LYS NZ 1 1 2 806 1 1 23 LYS O O 1.907 0.773 -1.130 1.00 . A A . 22 LYS O 1 1 2 807 1 1 24 CYS C C 3.904 2.676 0.271 1.00 . A A . 23 CYS C 1 1 2 808 1 1 24 CYS CA C 3.851 1.241 0.790 1.00 . A A . 23 CYS CA 1 1 2 809 1 1 24 CYS CB C 4.981 1.009 1.794 1.00 . A A . 23 CYS CB 1 1 2 810 1 1 24 CYS H H 4.758 -0.253 -0.402 1.00 . A A . 23 CYS H 1 1 2 811 1 1 24 CYS HA H 2.904 1.086 1.284 1.00 . A A . 23 CYS HA 1 1 2 812 1 1 24 CYS HB2 H 5.231 -0.042 1.806 1.00 . A A . 23 CYS HB2 1 1 2 813 1 1 24 CYS HB3 H 5.847 1.577 1.488 1.00 . A A . 23 CYS HB3 1 1 2 814 1 1 24 CYS N N 3.945 0.288 -0.308 1.00 . A A . 23 CYS N 1 1 2 815 1 1 24 CYS O O 4.480 2.944 -0.784 1.00 . A A . 23 CYS O 1 1 2 816 1 1 24 CYS SG S 4.572 1.498 3.501 1.00 . A A . 23 CYS SG 1 1 2 817 1 1 25 VAL C C 4.256 5.814 1.477 1.00 . A A . 24 VAL C 1 1 2 818 1 1 25 VAL CA C 3.279 5.000 0.635 1.00 . A A . 24 VAL CA 1 1 2 819 1 1 25 VAL CB C 1.869 5.601 0.782 1.00 . A A . 24 VAL CB 1 1 2 820 1 1 25 VAL CG1 C 1.589 5.959 2.233 1.00 . A A . 24 VAL CG1 1 1 2 821 1 1 25 VAL CG2 C 1.713 6.819 -0.116 1.00 . A A . 24 VAL CG2 1 1 2 822 1 1 25 VAL H H 2.858 3.318 1.849 1.00 . A A . 24 VAL H 1 1 2 823 1 1 25 VAL HA H 3.570 5.067 -0.402 1.00 . A A . 24 VAL HA 1 1 2 824 1 1 25 VAL HB H 1.148 4.858 0.473 1.00 . A A . 24 VAL HB 1 1 2 825 1 1 25 VAL HG11 H 0.527 6.102 2.371 1.00 . A A . 24 VAL HG11 1 1 2 826 1 1 25 VAL HG12 H 1.933 5.161 2.875 1.00 . A A . 24 VAL HG12 1 1 2 827 1 1 25 VAL HG13 H 2.109 6.872 2.485 1.00 . A A . 24 VAL HG13 1 1 2 828 1 1 25 VAL HG21 H 2.510 6.832 -0.844 1.00 . A A . 24 VAL HG21 1 1 2 829 1 1 25 VAL HG22 H 0.761 6.772 -0.625 1.00 . A A . 24 VAL HG22 1 1 2 830 1 1 25 VAL HG23 H 1.758 7.716 0.483 1.00 . A A . 24 VAL HG23 1 1 2 831 1 1 25 VAL N N 3.299 3.593 1.019 1.00 . A A . 24 VAL N 1 1 2 832 1 1 25 VAL O O 4.148 7.035 1.565 1.00 . A A . 24 VAL O 1 1 2 833 1 1 26 ALA C C 7.609 5.259 2.626 1.00 . A A . 25 ALA C 1 1 2 834 1 1 26 ALA CA C 6.210 5.784 2.928 1.00 . A A . 25 ALA CA 1 1 2 835 1 1 26 ALA CB C 5.878 5.593 4.400 1.00 . A A . 25 ALA CB 1 1 2 836 1 1 26 ALA H H 5.246 4.152 1.986 1.00 . A A . 25 ALA H 1 1 2 837 1 1 26 ALA HA H 6.179 6.842 2.712 1.00 . A A . 25 ALA HA 1 1 2 838 1 1 26 ALA HB1 H 6.752 5.810 4.996 1.00 . A A . 25 ALA HB1 1 1 2 839 1 1 26 ALA HB2 H 5.076 6.260 4.678 1.00 . A A . 25 ALA HB2 1 1 2 840 1 1 26 ALA HB3 H 5.572 4.571 4.570 1.00 . A A . 25 ALA HB3 1 1 2 841 1 1 26 ALA N N 5.211 5.125 2.095 1.00 . A A . 25 ALA N 1 1 2 842 1 1 26 ALA O O 8.557 6.032 2.484 1.00 . A A . 25 ALA O 1 1 2 843 1 1 27 CYS C C 9.027 2.701 0.847 1.00 . A A . 26 CYS C 1 1 2 844 1 1 27 CYS CA C 9.017 3.309 2.246 1.00 . A A . 26 CYS CA 1 1 2 845 1 1 27 CYS CB C 9.319 2.229 3.287 1.00 . A A . 26 CYS CB 1 1 2 846 1 1 27 CYS H H 6.941 3.374 2.653 1.00 . A A . 26 CYS H 1 1 2 847 1 1 27 CYS HA H 9.779 4.072 2.300 1.00 . A A . 26 CYS HA 1 1 2 848 1 1 27 CYS HB2 H 10.370 1.983 3.244 1.00 . A A . 26 CYS HB2 1 1 2 849 1 1 27 CYS HB3 H 9.084 2.610 4.270 1.00 . A A . 26 CYS HB3 1 1 2 850 1 1 27 CYS N N 7.732 3.940 2.530 1.00 . A A . 26 CYS N 1 1 2 851 1 1 27 CYS O O 10.083 2.360 0.316 1.00 . A A . 26 CYS O 1 1 2 852 1 1 27 CYS SG S 8.381 0.686 3.050 1.00 . A A . 26 CYS SG 1 1 2 853 1 1 28 GLU C C 8.008 0.504 -1.067 1.00 . A A . 27 GLU C 1 1 2 854 1 1 28 GLU CA C 7.716 2.002 -1.081 1.00 . A A . 27 GLU CA 1 1 2 855 1 1 28 GLU CB C 8.667 2.708 -2.050 1.00 . A A . 27 GLU CB 1 1 2 856 1 1 28 GLU CD C 9.279 5.004 -2.906 1.00 . A A . 27 GLU CD 1 1 2 857 1 1 28 GLU CG C 8.932 4.161 -1.694 1.00 . A A . 27 GLU CG 1 1 2 858 1 1 28 GLU H H 7.036 2.860 0.731 1.00 . A A . 27 GLU H 1 1 2 859 1 1 28 GLU HA H 6.701 2.156 -1.412 1.00 . A A . 27 GLU HA 1 1 2 860 1 1 28 GLU HB2 H 9.611 2.182 -2.058 1.00 . A A . 27 GLU HB2 1 1 2 861 1 1 28 GLU HB3 H 8.240 2.674 -3.042 1.00 . A A . 27 GLU HB3 1 1 2 862 1 1 28 GLU HG2 H 8.048 4.571 -1.230 1.00 . A A . 27 GLU HG2 1 1 2 863 1 1 28 GLU HG3 H 9.756 4.203 -0.997 1.00 . A A . 27 GLU HG3 1 1 2 864 1 1 28 GLU N N 7.844 2.570 0.256 1.00 . A A . 27 GLU N 1 1 2 865 1 1 28 GLU O O 8.769 -0.001 -1.892 1.00 . A A . 27 GLU O 1 1 2 866 1 1 28 GLU OE1 O 8.409 5.164 -3.787 1.00 . A A . 27 GLU OE1 1 1 2 867 1 1 28 GLU OE2 O 10.421 5.507 -2.971 1.00 . A A . 27 GLU OE2 1 1 2 868 1 1 29 THR C C 6.558 -2.407 -0.818 1.00 . A A . 28 THR C 1 1 2 869 1 1 29 THR CA C 7.588 -1.641 0.003 1.00 . A A . 28 THR CA 1 1 2 870 1 1 29 THR CB C 7.497 -2.095 1.473 1.00 . A A . 28 THR CB 1 1 2 871 1 1 29 THR CG2 C 6.662 -3.361 1.597 1.00 . A A . 28 THR CG2 1 1 2 872 1 1 29 THR H H 6.799 0.258 0.507 1.00 . A A . 28 THR H 1 1 2 873 1 1 29 THR HA H 8.576 -1.878 -0.364 1.00 . A A . 28 THR HA 1 1 2 874 1 1 29 THR HB H 7.023 -1.311 2.046 1.00 . A A . 28 THR HB 1 1 2 875 1 1 29 THR HG1 H 8.763 -2.987 2.694 1.00 . A A . 28 THR HG1 1 1 2 876 1 1 29 THR HG21 H 5.616 -3.114 1.495 1.00 . A A . 28 THR HG21 1 1 2 877 1 1 29 THR HG22 H 6.833 -3.811 2.564 1.00 . A A . 28 THR HG22 1 1 2 878 1 1 29 THR HG23 H 6.945 -4.055 0.821 1.00 . A A . 28 THR HG23 1 1 2 879 1 1 29 THR N N 7.395 -0.202 -0.121 1.00 . A A . 28 THR N 1 1 2 880 1 1 29 THR O O 5.404 -2.000 -0.948 1.00 . A A . 28 THR O 1 1 2 881 1 1 29 THR OG1 O 8.809 -2.329 1.995 1.00 . A A . 28 THR OG1 1 1 2 882 1 1 30 PRO C C 5.037 -5.093 -1.376 1.00 . A A . 29 PRO C 1 1 2 883 1 1 30 PRO CA C 6.110 -4.394 -2.205 1.00 . A A . 29 PRO CA 1 1 2 884 1 1 30 PRO CB C 7.075 -5.421 -2.804 1.00 . A A . 29 PRO CB 1 1 2 885 1 1 30 PRO CD C 8.344 -4.093 -1.275 1.00 . A A . 29 PRO CD 1 1 2 886 1 1 30 PRO CG C 8.211 -5.479 -1.843 1.00 . A A . 29 PRO CG 1 1 2 887 1 1 30 PRO HA H 5.641 -3.833 -2.999 1.00 . A A . 29 PRO HA 1 1 2 888 1 1 30 PRO HB2 H 6.579 -6.377 -2.890 1.00 . A A . 29 PRO HB2 1 1 2 889 1 1 30 PRO HB3 H 7.399 -5.089 -3.779 1.00 . A A . 29 PRO HB3 1 1 2 890 1 1 30 PRO HD2 H 8.659 -4.137 -0.242 1.00 . A A . 29 PRO HD2 1 1 2 891 1 1 30 PRO HD3 H 9.042 -3.511 -1.858 1.00 . A A . 29 PRO HD3 1 1 2 892 1 1 30 PRO HG2 H 7.992 -6.186 -1.058 1.00 . A A . 29 PRO HG2 1 1 2 893 1 1 30 PRO HG3 H 9.116 -5.760 -2.361 1.00 . A A . 29 PRO HG3 1 1 2 894 1 1 30 PRO N N 6.981 -3.546 -1.386 1.00 . A A . 29 PRO N 1 1 2 895 1 1 30 PRO O O 5.341 -5.920 -0.517 1.00 . A A . 29 PRO O 1 1 2 896 1 1 31 LYS C C 2.660 -6.868 -1.074 1.00 . A A . 30 LYS C 1 1 2 897 1 1 31 LYS CA C 2.659 -5.350 -0.921 1.00 . A A . 30 LYS CA 1 1 2 898 1 1 31 LYS CB C 1.336 -4.776 -1.430 1.00 . A A . 30 LYS CB 1 1 2 899 1 1 31 LYS CD C -1.044 -5.449 -1.872 1.00 . A A . 30 LYS CD 1 1 2 900 1 1 31 LYS CE C -2.050 -4.369 -1.504 1.00 . A A . 30 LYS CE 1 1 2 901 1 1 31 LYS CG C 0.112 -5.493 -0.887 1.00 . A A . 30 LYS CG 1 1 2 902 1 1 31 LYS H H 3.600 -4.089 -2.337 1.00 . A A . 30 LYS H 1 1 2 903 1 1 31 LYS HA H 2.770 -5.106 0.125 1.00 . A A . 30 LYS HA 1 1 2 904 1 1 31 LYS HB2 H 1.275 -3.736 -1.145 1.00 . A A . 30 LYS HB2 1 1 2 905 1 1 31 LYS HB3 H 1.318 -4.846 -2.509 1.00 . A A . 30 LYS HB3 1 1 2 906 1 1 31 LYS HD2 H -0.658 -5.242 -2.859 1.00 . A A . 30 LYS HD2 1 1 2 907 1 1 31 LYS HD3 H -1.542 -6.408 -1.872 1.00 . A A . 30 LYS HD3 1 1 2 908 1 1 31 LYS HE2 H -2.352 -4.513 -0.477 1.00 . A A . 30 LYS HE2 1 1 2 909 1 1 31 LYS HE3 H -1.576 -3.403 -1.606 1.00 . A A . 30 LYS HE3 1 1 2 910 1 1 31 LYS HG2 H 0.366 -6.524 -0.694 1.00 . A A . 30 LYS HG2 1 1 2 911 1 1 31 LYS HG3 H -0.193 -5.017 0.034 1.00 . A A . 30 LYS HG3 1 1 2 912 1 1 31 LYS HZ1 H -3.578 -3.447 -2.588 1.00 . A A . 30 LYS HZ1 1 1 2 913 1 1 31 LYS HZ2 H -4.024 -4.925 -1.896 1.00 . A A . 30 LYS HZ2 1 1 2 914 1 1 31 LYS HZ3 H -3.034 -4.898 -3.268 1.00 . A A . 30 LYS HZ3 1 1 2 915 1 1 31 LYS N N 3.779 -4.755 -1.640 1.00 . A A . 30 LYS N 1 1 2 916 1 1 31 LYS NZ N -3.255 -4.413 -2.376 1.00 . A A . 30 LYS NZ 1 1 2 917 1 1 31 LYS O O 2.987 -7.410 -2.130 1.00 . A A . 30 LYS O 1 1 2 918 1 1 32 PRO C C 1.102 -9.582 -0.860 1.00 . A A . 31 PRO C 1 1 2 919 1 1 32 PRO CA C 2.229 -9.037 0.013 1.00 . A A . 31 PRO CA 1 1 2 920 1 1 32 PRO CB C 1.976 -9.374 1.485 1.00 . A A . 31 PRO CB 1 1 2 921 1 1 32 PRO CD C 1.878 -6.992 1.296 1.00 . A A . 31 PRO CD 1 1 2 922 1 1 32 PRO CG C 1.302 -8.166 2.039 1.00 . A A . 31 PRO CG 1 1 2 923 1 1 32 PRO HA H 3.167 -9.471 -0.301 1.00 . A A . 31 PRO HA 1 1 2 924 1 1 32 PRO HB2 H 1.343 -10.248 1.553 1.00 . A A . 31 PRO HB2 1 1 2 925 1 1 32 PRO HB3 H 2.916 -9.564 1.980 1.00 . A A . 31 PRO HB3 1 1 2 926 1 1 32 PRO HD2 H 1.128 -6.229 1.158 1.00 . A A . 31 PRO HD2 1 1 2 927 1 1 32 PRO HD3 H 2.733 -6.595 1.823 1.00 . A A . 31 PRO HD3 1 1 2 928 1 1 32 PRO HG2 H 0.239 -8.230 1.872 1.00 . A A . 31 PRO HG2 1 1 2 929 1 1 32 PRO HG3 H 1.514 -8.081 3.095 1.00 . A A . 31 PRO HG3 1 1 2 930 1 1 32 PRO N N 2.282 -7.573 0.004 1.00 . A A . 31 PRO N 1 1 2 931 1 1 32 PRO O O 1.191 -9.490 -2.083 1.00 . A A . 31 PRO O 1 1 2 932 2 2 1 ZN ZN ZN 6.567 0.770 4.616 1.00 . B A . 32 ZN ZN 1 1 3 933 1 1 2 HIS C C -16.398 3.778 6.229 1.00 . A A . 1 HIS C 1 1 3 934 1 1 2 HIS CA C -17.762 3.706 6.910 1.00 . A A . 1 HIS CA 1 1 3 935 1 1 2 HIS CB C -17.628 3.018 8.269 1.00 . A A . 1 HIS CB 1 1 3 936 1 1 2 HIS CD2 C -18.291 0.531 7.951 1.00 . A A . 1 HIS CD2 1 1 3 937 1 1 2 HIS CE1 C -16.303 -0.363 8.182 1.00 . A A . 1 HIS CE1 1 1 3 938 1 1 2 HIS CG C -17.416 1.539 8.174 1.00 . A A . 1 HIS CG 1 1 3 939 1 1 2 HIS H H -18.419 2.587 5.237 1.00 . A A . 1 HIS H 1 1 3 940 1 1 2 HIS HA H -18.129 4.709 7.059 1.00 . A A . 1 HIS HA 1 1 3 941 1 1 2 HIS HB2 H -16.786 3.440 8.799 1.00 . A A . 1 HIS HB2 1 1 3 942 1 1 2 HIS HB3 H -18.529 3.188 8.842 1.00 . A A . 1 HIS HB3 1 1 3 943 1 1 2 HIS HD1 H -15.336 1.414 8.486 1.00 . A A . 1 HIS HD1 1 1 3 944 1 1 2 HIS HD2 H -19.356 0.629 7.794 1.00 . A A . 1 HIS HD2 1 1 3 945 1 1 2 HIS HE1 H -15.501 -1.083 8.244 1.00 . A A . 1 HIS HE1 1 1 3 946 1 1 2 HIS N N -18.723 2.995 6.075 1.00 . A A . 1 HIS N 1 1 3 947 1 1 2 HIS ND1 N -16.178 0.946 8.316 1.00 . A A . 1 HIS ND1 1 1 3 948 1 1 2 HIS NE2 N -17.574 -0.641 7.960 1.00 . A A . 1 HIS NE2 1 1 3 949 1 1 2 HIS O O -16.241 3.346 5.087 1.00 . A A . 1 HIS O 1 1 3 950 1 1 3 MET C C -13.495 3.092 6.033 1.00 . A A . 2 MET C 1 1 3 951 1 1 3 MET CA C -14.068 4.459 6.398 1.00 . A A . 2 MET CA 1 1 3 952 1 1 3 MET CB C -13.156 5.152 7.412 1.00 . A A . 2 MET CB 1 1 3 953 1 1 3 MET CE C -11.050 8.229 6.482 1.00 . A A . 2 MET CE 1 1 3 954 1 1 3 MET CG C -11.821 5.591 6.830 1.00 . A A . 2 MET CG 1 1 3 955 1 1 3 MET H H -15.604 4.657 7.841 1.00 . A A . 2 MET H 1 1 3 956 1 1 3 MET HA H -14.124 5.063 5.505 1.00 . A A . 2 MET HA 1 1 3 957 1 1 3 MET HB2 H -13.662 6.026 7.794 1.00 . A A . 2 MET HB2 1 1 3 958 1 1 3 MET HB3 H -12.962 4.473 8.229 1.00 . A A . 2 MET HB3 1 1 3 959 1 1 3 MET HE1 H -11.724 8.900 6.993 1.00 . A A . 2 MET HE1 1 1 3 960 1 1 3 MET HE2 H -10.379 7.778 7.198 1.00 . A A . 2 MET HE2 1 1 3 961 1 1 3 MET HE3 H -10.477 8.783 5.752 1.00 . A A . 2 MET HE3 1 1 3 962 1 1 3 MET HG2 H -11.179 5.910 7.637 1.00 . A A . 2 MET HG2 1 1 3 963 1 1 3 MET HG3 H -11.372 4.749 6.325 1.00 . A A . 2 MET HG3 1 1 3 964 1 1 3 MET N N -15.417 4.330 6.936 1.00 . A A . 2 MET N 1 1 3 965 1 1 3 MET O O -13.924 2.067 6.562 1.00 . A A . 2 MET O 1 1 3 966 1 1 3 MET SD S -11.990 6.948 5.656 1.00 . A A . 2 MET SD 1 1 3 967 1 1 4 VAL C C -11.256 1.113 5.866 1.00 . A A . 3 VAL C 1 1 3 968 1 1 4 VAL CA C -11.892 1.847 4.690 1.00 . A A . 3 VAL CA 1 1 3 969 1 1 4 VAL CB C -10.815 2.111 3.621 1.00 . A A . 3 VAL CB 1 1 3 970 1 1 4 VAL CG1 C -11.434 2.750 2.387 1.00 . A A . 3 VAL CG1 1 1 3 971 1 1 4 VAL CG2 C -9.706 2.986 4.187 1.00 . A A . 3 VAL CG2 1 1 3 972 1 1 4 VAL H H -12.225 3.936 4.741 1.00 . A A . 3 VAL H 1 1 3 973 1 1 4 VAL HA H -12.654 1.217 4.256 1.00 . A A . 3 VAL HA 1 1 3 974 1 1 4 VAL HB H -10.385 1.163 3.331 1.00 . A A . 3 VAL HB 1 1 3 975 1 1 4 VAL HG11 H -10.653 3.177 1.774 1.00 . A A . 3 VAL HG11 1 1 3 976 1 1 4 VAL HG12 H -11.968 2.000 1.822 1.00 . A A . 3 VAL HG12 1 1 3 977 1 1 4 VAL HG13 H -12.119 3.528 2.690 1.00 . A A . 3 VAL HG13 1 1 3 978 1 1 4 VAL HG21 H -9.413 3.716 3.447 1.00 . A A . 3 VAL HG21 1 1 3 979 1 1 4 VAL HG22 H -10.064 3.494 5.071 1.00 . A A . 3 VAL HG22 1 1 3 980 1 1 4 VAL HG23 H -8.857 2.370 4.443 1.00 . A A . 3 VAL HG23 1 1 3 981 1 1 4 VAL N N -12.524 3.087 5.126 1.00 . A A . 3 VAL N 1 1 3 982 1 1 4 VAL O O -10.477 1.690 6.623 1.00 . A A . 3 VAL O 1 1 3 983 1 1 5 ILE C C -10.268 -2.167 6.548 1.00 . A A . 4 ILE C 1 1 3 984 1 1 5 ILE CA C -11.054 -0.979 7.093 1.00 . A A . 4 ILE CA 1 1 3 985 1 1 5 ILE CB C -12.171 -1.497 8.019 1.00 . A A . 4 ILE CB 1 1 3 986 1 1 5 ILE CD1 C -12.540 -1.966 10.493 1.00 . A A . 4 ILE CD1 1 1 3 987 1 1 5 ILE CG1 C -11.577 -2.020 9.327 1.00 . A A . 4 ILE CG1 1 1 3 988 1 1 5 ILE CG2 C -12.974 -2.586 7.322 1.00 . A A . 4 ILE CG2 1 1 3 989 1 1 5 ILE H H -12.219 -0.568 5.374 1.00 . A A . 4 ILE H 1 1 3 990 1 1 5 ILE HA H -10.389 -0.358 7.677 1.00 . A A . 4 ILE HA 1 1 3 991 1 1 5 ILE HB H -12.837 -0.676 8.237 1.00 . A A . 4 ILE HB 1 1 3 992 1 1 5 ILE HD11 H -12.004 -1.697 11.390 1.00 . A A . 4 ILE HD11 1 1 3 993 1 1 5 ILE HD12 H -13.305 -1.231 10.294 1.00 . A A . 4 ILE HD12 1 1 3 994 1 1 5 ILE HD13 H -12.999 -2.936 10.625 1.00 . A A . 4 ILE HD13 1 1 3 995 1 1 5 ILE HG12 H -11.276 -3.048 9.194 1.00 . A A . 4 ILE HG12 1 1 3 996 1 1 5 ILE HG13 H -10.710 -1.428 9.583 1.00 . A A . 4 ILE HG13 1 1 3 997 1 1 5 ILE HG21 H -12.680 -2.639 6.283 1.00 . A A . 4 ILE HG21 1 1 3 998 1 1 5 ILE HG22 H -12.782 -3.535 7.799 1.00 . A A . 4 ILE HG22 1 1 3 999 1 1 5 ILE HG23 H -14.026 -2.355 7.387 1.00 . A A . 4 ILE HG23 1 1 3 1000 1 1 5 ILE N N -11.594 -0.164 6.011 1.00 . A A . 4 ILE N 1 1 3 1001 1 1 5 ILE O O -10.330 -3.267 7.094 1.00 . A A . 4 ILE O 1 1 3 1002 1 1 6 GLY C C -7.287 -2.603 4.683 1.00 . A A . 5 GLY C 1 1 3 1003 1 1 6 GLY CA C -8.740 -2.995 4.868 1.00 . A A . 5 GLY CA 1 1 3 1004 1 1 6 GLY H H -9.518 -1.036 5.075 1.00 . A A . 5 GLY H 1 1 3 1005 1 1 6 GLY HA2 H -8.789 -3.868 5.501 1.00 . A A . 5 GLY HA2 1 1 3 1006 1 1 6 GLY HA3 H -9.160 -3.238 3.903 1.00 . A A . 5 GLY HA3 1 1 3 1007 1 1 6 GLY N N -9.529 -1.935 5.467 1.00 . A A . 5 GLY N 1 1 3 1008 1 1 6 GLY O O -6.510 -3.338 4.072 1.00 . A A . 5 GLY O 1 1 3 1009 1 1 7 THR C C -4.567 -1.908 5.766 1.00 . A A . 6 THR C 1 1 3 1010 1 1 7 THR CA C -5.549 -0.951 5.100 1.00 . A A . 6 THR CA 1 1 3 1011 1 1 7 THR CB C -5.399 0.445 5.734 1.00 . A A . 6 THR CB 1 1 3 1012 1 1 7 THR CG2 C -6.176 1.486 4.942 1.00 . A A . 6 THR CG2 1 1 3 1013 1 1 7 THR H H -7.583 -0.900 5.687 1.00 . A A . 6 THR H 1 1 3 1014 1 1 7 THR HA H -5.308 -0.874 4.049 1.00 . A A . 6 THR HA 1 1 3 1015 1 1 7 THR HB H -4.353 0.715 5.727 1.00 . A A . 6 THR HB 1 1 3 1016 1 1 7 THR HG1 H -5.547 1.200 7.550 1.00 . A A . 6 THR HG1 1 1 3 1017 1 1 7 THR HG21 H -6.772 0.993 4.187 1.00 . A A . 6 THR HG21 1 1 3 1018 1 1 7 THR HG22 H -5.484 2.166 4.467 1.00 . A A . 6 THR HG22 1 1 3 1019 1 1 7 THR HG23 H -6.821 2.036 5.608 1.00 . A A . 6 THR HG23 1 1 3 1020 1 1 7 THR N N -6.918 -1.440 5.211 1.00 . A A . 6 THR N 1 1 3 1021 1 1 7 THR O O -4.831 -2.428 6.849 1.00 . A A . 6 THR O 1 1 3 1022 1 1 7 THR OG1 O -5.867 0.421 7.086 1.00 . A A . 6 THR OG1 1 1 3 1023 1 1 8 TRP C C -1.272 -2.238 6.277 1.00 . A A . 7 TRP C 1 1 3 1024 1 1 8 TRP CA C -2.411 -3.028 5.640 1.00 . A A . 7 TRP CA 1 1 3 1025 1 1 8 TRP CB C -1.866 -3.927 4.530 1.00 . A A . 7 TRP CB 1 1 3 1026 1 1 8 TRP CD1 C -2.593 -2.760 2.368 1.00 . A A . 7 TRP CD1 1 1 3 1027 1 1 8 TRP CD2 C -0.375 -2.842 2.669 1.00 . A A . 7 TRP CD2 1 1 3 1028 1 1 8 TRP CE2 C -0.639 -2.180 1.453 1.00 . A A . 7 TRP CE2 1 1 3 1029 1 1 8 TRP CE3 C 0.953 -3.010 3.069 1.00 . A A . 7 TRP CE3 1 1 3 1030 1 1 8 TRP CG C -1.638 -3.204 3.238 1.00 . A A . 7 TRP CG 1 1 3 1031 1 1 8 TRP CH2 C 1.668 -1.868 1.053 1.00 . A A . 7 TRP CH2 1 1 3 1032 1 1 8 TRP CZ2 C 0.376 -1.689 0.638 1.00 . A A . 7 TRP CZ2 1 1 3 1033 1 1 8 TRP CZ3 C 1.960 -2.522 2.257 1.00 . A A . 7 TRP CZ3 1 1 3 1034 1 1 8 TRP H H -3.281 -1.689 4.251 1.00 . A A . 7 TRP H 1 1 3 1035 1 1 8 TRP HA H -2.871 -3.646 6.398 1.00 . A A . 7 TRP HA 1 1 3 1036 1 1 8 TRP HB2 H -0.923 -4.349 4.847 1.00 . A A . 7 TRP HB2 1 1 3 1037 1 1 8 TRP HB3 H -2.569 -4.726 4.345 1.00 . A A . 7 TRP HB3 1 1 3 1038 1 1 8 TRP HD1 H -3.655 -2.884 2.516 1.00 . A A . 7 TRP HD1 1 1 3 1039 1 1 8 TRP HE1 H -2.473 -1.742 0.534 1.00 . A A . 7 TRP HE1 1 1 3 1040 1 1 8 TRP HE3 H 1.199 -3.511 3.993 1.00 . A A . 7 TRP HE3 1 1 3 1041 1 1 8 TRP HH2 H 2.486 -1.504 0.451 1.00 . A A . 7 TRP HH2 1 1 3 1042 1 1 8 TRP HZ2 H 0.167 -1.182 -0.294 1.00 . A A . 7 TRP HZ2 1 1 3 1043 1 1 8 TRP HZ3 H 2.993 -2.644 2.549 1.00 . A A . 7 TRP HZ3 1 1 3 1044 1 1 8 TRP N N -3.434 -2.134 5.111 1.00 . A A . 7 TRP N 1 1 3 1045 1 1 8 TRP NE1 N -1.999 -2.143 1.292 1.00 . A A . 7 TRP NE1 1 1 3 1046 1 1 8 TRP O O -0.857 -1.202 5.756 1.00 . A A . 7 TRP O 1 1 3 1047 1 1 9 ASP C C 1.665 -2.665 7.708 1.00 . A A . 8 ASP C 1 1 3 1048 1 1 9 ASP CA C 0.319 -2.072 8.110 1.00 . A A . 8 ASP CA 1 1 3 1049 1 1 9 ASP CB C 0.125 -2.194 9.622 1.00 . A A . 8 ASP CB 1 1 3 1050 1 1 9 ASP CG C -1.289 -1.857 10.053 1.00 . A A . 8 ASP CG 1 1 3 1051 1 1 9 ASP H H -1.146 -3.562 7.769 1.00 . A A . 8 ASP H 1 1 3 1052 1 1 9 ASP HA H 0.306 -1.027 7.839 1.00 . A A . 8 ASP HA 1 1 3 1053 1 1 9 ASP HB2 H 0.341 -3.209 9.925 1.00 . A A . 8 ASP HB2 1 1 3 1054 1 1 9 ASP HB3 H 0.806 -1.521 10.122 1.00 . A A . 8 ASP HB3 1 1 3 1055 1 1 9 ASP N N -0.773 -2.732 7.404 1.00 . A A . 8 ASP N 1 1 3 1056 1 1 9 ASP O O 1.819 -3.885 7.628 1.00 . A A . 8 ASP O 1 1 3 1057 1 1 9 ASP OD1 O -2.145 -1.647 9.169 1.00 . A A . 8 ASP OD1 1 1 3 1058 1 1 9 ASP OD2 O -1.539 -1.801 11.276 1.00 . A A . 8 ASP OD2 1 1 3 1059 1 1 10 CYS C C 4.632 -3.039 8.171 1.00 . A A . 9 CYS C 1 1 3 1060 1 1 10 CYS CA C 3.970 -2.235 7.056 1.00 . A A . 9 CYS CA 1 1 3 1061 1 1 10 CYS CB C 4.840 -1.028 6.698 1.00 . A A . 9 CYS CB 1 1 3 1062 1 1 10 CYS H H 2.454 -0.836 7.532 1.00 . A A . 9 CYS H 1 1 3 1063 1 1 10 CYS HA H 3.868 -2.864 6.186 1.00 . A A . 9 CYS HA 1 1 3 1064 1 1 10 CYS HB2 H 4.222 -0.273 6.235 1.00 . A A . 9 CYS HB2 1 1 3 1065 1 1 10 CYS HB3 H 5.275 -0.626 7.601 1.00 . A A . 9 CYS HB3 1 1 3 1066 1 1 10 CYS N N 2.637 -1.797 7.452 1.00 . A A . 9 CYS N 1 1 3 1067 1 1 10 CYS O O 4.092 -3.156 9.272 1.00 . A A . 9 CYS O 1 1 3 1068 1 1 10 CYS SG S 6.201 -1.408 5.548 1.00 . A A . 9 CYS SG 1 1 3 1069 1 1 11 ASP C C 8.028 -4.048 8.817 1.00 . A A . 10 ASP C 1 1 3 1070 1 1 11 ASP CA C 6.541 -4.385 8.855 1.00 . A A . 10 ASP CA 1 1 3 1071 1 1 11 ASP CB C 6.337 -5.877 8.590 1.00 . A A . 10 ASP CB 1 1 3 1072 1 1 11 ASP CG C 5.040 -6.398 9.179 1.00 . A A . 10 ASP CG 1 1 3 1073 1 1 11 ASP H H 6.183 -3.463 6.982 1.00 . A A . 10 ASP H 1 1 3 1074 1 1 11 ASP HA H 6.155 -4.146 9.834 1.00 . A A . 10 ASP HA 1 1 3 1075 1 1 11 ASP HB2 H 6.321 -6.049 7.524 1.00 . A A . 10 ASP HB2 1 1 3 1076 1 1 11 ASP HB3 H 7.156 -6.430 9.028 1.00 . A A . 10 ASP HB3 1 1 3 1077 1 1 11 ASP N N 5.804 -3.592 7.878 1.00 . A A . 10 ASP N 1 1 3 1078 1 1 11 ASP O O 8.852 -4.755 9.399 1.00 . A A . 10 ASP O 1 1 3 1079 1 1 11 ASP OD1 O 4.863 -6.294 10.411 1.00 . A A . 10 ASP OD1 1 1 3 1080 1 1 11 ASP OD2 O 4.201 -6.907 8.406 1.00 . A A . 10 ASP OD2 1 1 3 1081 1 1 12 THR C C 9.900 -1.052 8.338 1.00 . A A . 11 THR C 1 1 3 1082 1 1 12 THR CA C 9.755 -2.533 8.013 1.00 . A A . 11 THR CA 1 1 3 1083 1 1 12 THR CB C 10.307 -2.793 6.598 1.00 . A A . 11 THR CB 1 1 3 1084 1 1 12 THR CG2 C 10.865 -1.514 5.991 1.00 . A A . 11 THR CG2 1 1 3 1085 1 1 12 THR H H 7.665 -2.441 7.686 1.00 . A A . 11 THR H 1 1 3 1086 1 1 12 THR HA H 10.341 -3.106 8.716 1.00 . A A . 11 THR HA 1 1 3 1087 1 1 12 THR HB H 9.501 -3.149 5.973 1.00 . A A . 11 THR HB 1 1 3 1088 1 1 12 THR HG1 H 11.580 -4.043 5.756 1.00 . A A . 11 THR HG1 1 1 3 1089 1 1 12 THR HG21 H 10.071 -0.788 5.892 1.00 . A A . 11 THR HG21 1 1 3 1090 1 1 12 THR HG22 H 11.281 -1.729 5.019 1.00 . A A . 11 THR HG22 1 1 3 1091 1 1 12 THR HG23 H 11.636 -1.118 6.634 1.00 . A A . 11 THR HG23 1 1 3 1092 1 1 12 THR N N 8.367 -2.963 8.128 1.00 . A A . 11 THR N 1 1 3 1093 1 1 12 THR O O 10.892 -0.631 8.935 1.00 . A A . 11 THR O 1 1 3 1094 1 1 12 THR OG1 O 11.334 -3.789 6.649 1.00 . A A . 11 THR OG1 1 1 3 1095 1 1 13 CYS C C 7.778 1.577 9.117 1.00 . A A . 12 CYS C 1 1 3 1096 1 1 13 CYS CA C 8.922 1.173 8.193 1.00 . A A . 12 CYS CA 1 1 3 1097 1 1 13 CYS CB C 8.826 1.942 6.875 1.00 . A A . 12 CYS CB 1 1 3 1098 1 1 13 CYS H H 8.142 -0.657 7.472 1.00 . A A . 12 CYS H 1 1 3 1099 1 1 13 CYS HA H 9.858 1.416 8.673 1.00 . A A . 12 CYS HA 1 1 3 1100 1 1 13 CYS HB2 H 9.350 2.882 6.975 1.00 . A A . 12 CYS HB2 1 1 3 1101 1 1 13 CYS HB3 H 9.288 1.360 6.092 1.00 . A A . 12 CYS HB3 1 1 3 1102 1 1 13 CYS N N 8.906 -0.263 7.943 1.00 . A A . 12 CYS N 1 1 3 1103 1 1 13 CYS O O 7.708 2.719 9.576 1.00 . A A . 12 CYS O 1 1 3 1104 1 1 13 CYS SG S 7.119 2.316 6.357 1.00 . A A . 12 CYS SG 1 1 3 1105 1 1 14 LEU C C 4.847 1.985 9.675 1.00 . A A . 13 LEU C 1 1 3 1106 1 1 14 LEU CA C 5.738 0.892 10.256 1.00 . A A . 13 LEU CA 1 1 3 1107 1 1 14 LEU CB C 6.216 1.296 11.652 1.00 . A A . 13 LEU CB 1 1 3 1108 1 1 14 LEU CD1 C 7.881 -0.436 12.365 1.00 . A A . 13 LEU CD1 1 1 3 1109 1 1 14 LEU CD2 C 6.382 0.625 14.062 1.00 . A A . 13 LEU CD2 1 1 3 1110 1 1 14 LEU CG C 6.502 0.149 12.622 1.00 . A A . 13 LEU CG 1 1 3 1111 1 1 14 LEU H H 6.989 -0.255 8.992 1.00 . A A . 13 LEU H 1 1 3 1112 1 1 14 LEU HA H 5.166 -0.021 10.329 1.00 . A A . 13 LEU HA 1 1 3 1113 1 1 14 LEU HB2 H 7.124 1.867 11.538 1.00 . A A . 13 LEU HB2 1 1 3 1114 1 1 14 LEU HB3 H 5.452 1.921 12.093 1.00 . A A . 13 LEU HB3 1 1 3 1115 1 1 14 LEU HD11 H 8.597 0.364 12.260 1.00 . A A . 13 LEU HD11 1 1 3 1116 1 1 14 LEU HD12 H 7.860 -1.023 11.459 1.00 . A A . 13 LEU HD12 1 1 3 1117 1 1 14 LEU HD13 H 8.165 -1.066 13.195 1.00 . A A . 13 LEU HD13 1 1 3 1118 1 1 14 LEU HD21 H 5.360 0.912 14.262 1.00 . A A . 13 LEU HD21 1 1 3 1119 1 1 14 LEU HD22 H 7.031 1.475 14.215 1.00 . A A . 13 LEU HD22 1 1 3 1120 1 1 14 LEU HD23 H 6.669 -0.172 14.731 1.00 . A A . 13 LEU HD23 1 1 3 1121 1 1 14 LEU HG H 5.773 -0.635 12.467 1.00 . A A . 13 LEU HG 1 1 3 1122 1 1 14 LEU N N 6.881 0.636 9.387 1.00 . A A . 13 LEU N 1 1 3 1123 1 1 14 LEU O O 4.861 3.125 10.139 1.00 . A A . 13 LEU O 1 1 3 1124 1 1 15 VAL C C 1.981 1.863 7.378 1.00 . A A . 14 VAL C 1 1 3 1125 1 1 15 VAL CA C 3.167 2.577 8.015 1.00 . A A . 14 VAL CA 1 1 3 1126 1 1 15 VAL CB C 3.897 3.401 6.936 1.00 . A A . 14 VAL CB 1 1 3 1127 1 1 15 VAL CG1 C 2.899 4.201 6.111 1.00 . A A . 14 VAL CG1 1 1 3 1128 1 1 15 VAL CG2 C 4.930 4.318 7.574 1.00 . A A . 14 VAL CG2 1 1 3 1129 1 1 15 VAL H H 4.101 0.704 8.332 1.00 . A A . 14 VAL H 1 1 3 1130 1 1 15 VAL HA H 2.803 3.256 8.772 1.00 . A A . 14 VAL HA 1 1 3 1131 1 1 15 VAL HB H 4.410 2.718 6.277 1.00 . A A . 14 VAL HB 1 1 3 1132 1 1 15 VAL HG11 H 3.412 4.670 5.283 1.00 . A A . 14 VAL HG11 1 1 3 1133 1 1 15 VAL HG12 H 2.133 3.541 5.734 1.00 . A A . 14 VAL HG12 1 1 3 1134 1 1 15 VAL HG13 H 2.449 4.962 6.731 1.00 . A A . 14 VAL HG13 1 1 3 1135 1 1 15 VAL HG21 H 5.664 3.722 8.096 1.00 . A A . 14 VAL HG21 1 1 3 1136 1 1 15 VAL HG22 H 5.419 4.900 6.806 1.00 . A A . 14 VAL HG22 1 1 3 1137 1 1 15 VAL HG23 H 4.441 4.981 8.272 1.00 . A A . 14 VAL HG23 1 1 3 1138 1 1 15 VAL N N 4.069 1.628 8.658 1.00 . A A . 14 VAL N 1 1 3 1139 1 1 15 VAL O O 2.150 0.873 6.668 1.00 . A A . 14 VAL O 1 1 3 1140 1 1 16 GLN C C -0.689 2.283 5.670 1.00 . A A . 15 GLN C 1 1 3 1141 1 1 16 GLN CA C -0.434 1.785 7.089 1.00 . A A . 15 GLN CA 1 1 3 1142 1 1 16 GLN CB C -1.633 2.112 7.981 1.00 . A A . 15 GLN CB 1 1 3 1143 1 1 16 GLN CD C -2.915 1.475 10.063 1.00 . A A . 15 GLN CD 1 1 3 1144 1 1 16 GLN CG C -1.582 1.434 9.340 1.00 . A A . 15 GLN CG 1 1 3 1145 1 1 16 GLN H H 0.713 3.165 8.210 1.00 . A A . 15 GLN H 1 1 3 1146 1 1 16 GLN HA H -0.300 0.713 7.061 1.00 . A A . 15 GLN HA 1 1 3 1147 1 1 16 GLN HB2 H -1.669 3.180 8.136 1.00 . A A . 15 GLN HB2 1 1 3 1148 1 1 16 GLN HB3 H -2.536 1.798 7.480 1.00 . A A . 15 GLN HB3 1 1 3 1149 1 1 16 GLN HE21 H -2.619 3.380 10.550 1.00 . A A . 15 GLN HE21 1 1 3 1150 1 1 16 GLN HE22 H -4.100 2.685 11.103 1.00 . A A . 15 GLN HE22 1 1 3 1151 1 1 16 GLN HG2 H -1.297 0.401 9.203 1.00 . A A . 15 GLN HG2 1 1 3 1152 1 1 16 GLN HG3 H -0.843 1.932 9.949 1.00 . A A . 15 GLN HG3 1 1 3 1153 1 1 16 GLN N N 0.781 2.374 7.637 1.00 . A A . 15 GLN N 1 1 3 1154 1 1 16 GLN NE2 N -3.244 2.630 10.630 1.00 . A A . 15 GLN NE2 1 1 3 1155 1 1 16 GLN O O -0.316 3.402 5.320 1.00 . A A . 15 GLN O 1 1 3 1156 1 1 16 GLN OE1 O -3.639 0.482 10.111 1.00 . A A . 15 GLN OE1 1 1 3 1157 1 1 17 ASN C C -2.955 1.185 3.037 1.00 . A A . 16 ASN C 1 1 3 1158 1 1 17 ASN CA C -1.631 1.802 3.478 1.00 . A A . 16 ASN CA 1 1 3 1159 1 1 17 ASN CB C -0.507 1.340 2.550 1.00 . A A . 16 ASN CB 1 1 3 1160 1 1 17 ASN CG C 0.844 1.328 3.241 1.00 . A A . 16 ASN CG 1 1 3 1161 1 1 17 ASN H H -1.600 0.567 5.197 1.00 . A A . 16 ASN H 1 1 3 1162 1 1 17 ASN HA H -1.712 2.877 3.424 1.00 . A A . 16 ASN HA 1 1 3 1163 1 1 17 ASN HB2 H -0.721 0.339 2.205 1.00 . A A . 16 ASN HB2 1 1 3 1164 1 1 17 ASN HB3 H -0.450 2.005 1.702 1.00 . A A . 16 ASN HB3 1 1 3 1165 1 1 17 ASN HD21 H 0.223 -0.092 4.487 1.00 . A A . 16 ASN HD21 1 1 3 1166 1 1 17 ASN HD22 H 1.849 0.446 4.712 1.00 . A A . 16 ASN HD22 1 1 3 1167 1 1 17 ASN N N -1.327 1.446 4.860 1.00 . A A . 16 ASN N 1 1 3 1168 1 1 17 ASN ND2 N 0.986 0.475 4.248 1.00 . A A . 16 ASN ND2 1 1 3 1169 1 1 17 ASN O O -3.413 0.196 3.607 1.00 . A A . 16 ASN O 1 1 3 1170 1 1 17 ASN OD1 O 1.748 2.077 2.873 1.00 . A A . 16 ASN OD1 1 1 3 1171 1 1 18 LYS C C -4.650 -0.042 0.770 1.00 . A A . 17 LYS C 1 1 3 1172 1 1 18 LYS CA C -4.837 1.287 1.494 1.00 . A A . 17 LYS CA 1 1 3 1173 1 1 18 LYS CB C -5.453 2.316 0.545 1.00 . A A . 17 LYS CB 1 1 3 1174 1 1 18 LYS CD C -5.717 3.077 -1.834 1.00 . A A . 17 LYS CD 1 1 3 1175 1 1 18 LYS CE C -5.296 4.539 -1.853 1.00 . A A . 17 LYS CE 1 1 3 1176 1 1 18 LYS CG C -4.877 2.269 -0.860 1.00 . A A . 17 LYS CG 1 1 3 1177 1 1 18 LYS H H -3.151 2.564 1.601 1.00 . A A . 17 LYS H 1 1 3 1178 1 1 18 LYS HA H -5.503 1.137 2.330 1.00 . A A . 17 LYS HA 1 1 3 1179 1 1 18 LYS HB2 H -6.516 2.138 0.481 1.00 . A A . 17 LYS HB2 1 1 3 1180 1 1 18 LYS HB3 H -5.285 3.305 0.947 1.00 . A A . 17 LYS HB3 1 1 3 1181 1 1 18 LYS HD2 H -5.597 2.667 -2.826 1.00 . A A . 17 LYS HD2 1 1 3 1182 1 1 18 LYS HD3 H -6.755 3.014 -1.540 1.00 . A A . 17 LYS HD3 1 1 3 1183 1 1 18 LYS HE2 H -4.220 4.590 -1.923 1.00 . A A . 17 LYS HE2 1 1 3 1184 1 1 18 LYS HE3 H -5.735 5.016 -2.718 1.00 . A A . 17 LYS HE3 1 1 3 1185 1 1 18 LYS HG2 H -3.876 2.673 -0.843 1.00 . A A . 17 LYS HG2 1 1 3 1186 1 1 18 LYS HG3 H -4.846 1.241 -1.192 1.00 . A A . 17 LYS HG3 1 1 3 1187 1 1 18 LYS HZ1 H -6.705 4.973 -0.374 1.00 . A A . 17 LYS HZ1 1 1 3 1188 1 1 18 LYS HZ2 H -5.722 6.286 -0.790 1.00 . A A . 17 LYS HZ2 1 1 3 1189 1 1 18 LYS HZ3 H -5.103 5.035 0.167 1.00 . A A . 17 LYS HZ3 1 1 3 1190 1 1 18 LYS N N -3.566 1.777 2.016 1.00 . A A . 17 LYS N 1 1 3 1191 1 1 18 LYS NZ N -5.737 5.259 -0.627 1.00 . A A . 17 LYS NZ 1 1 3 1192 1 1 18 LYS O O -3.622 -0.297 0.143 1.00 . A A . 17 LYS O 1 1 3 1193 1 1 19 PRO C C -5.721 -2.133 -1.309 1.00 . A A . 18 PRO C 1 1 3 1194 1 1 19 PRO CA C -5.641 -2.228 0.211 1.00 . A A . 18 PRO CA 1 1 3 1195 1 1 19 PRO CB C -6.887 -2.922 0.769 1.00 . A A . 18 PRO CB 1 1 3 1196 1 1 19 PRO CD C -6.926 -0.675 1.584 1.00 . A A . 18 PRO CD 1 1 3 1197 1 1 19 PRO CG C -7.806 -1.809 1.139 1.00 . A A . 18 PRO CG 1 1 3 1198 1 1 19 PRO HA H -4.760 -2.787 0.490 1.00 . A A . 18 PRO HA 1 1 3 1199 1 1 19 PRO HB2 H -7.318 -3.557 0.009 1.00 . A A . 18 PRO HB2 1 1 3 1200 1 1 19 PRO HB3 H -6.617 -3.514 1.631 1.00 . A A . 18 PRO HB3 1 1 3 1201 1 1 19 PRO HD2 H -7.360 0.273 1.306 1.00 . A A . 18 PRO HD2 1 1 3 1202 1 1 19 PRO HD3 H -6.764 -0.719 2.652 1.00 . A A . 18 PRO HD3 1 1 3 1203 1 1 19 PRO HG2 H -8.389 -1.515 0.280 1.00 . A A . 18 PRO HG2 1 1 3 1204 1 1 19 PRO HG3 H -8.452 -2.121 1.945 1.00 . A A . 18 PRO HG3 1 1 3 1205 1 1 19 PRO N N -5.668 -0.911 0.855 1.00 . A A . 18 PRO N 1 1 3 1206 1 1 19 PRO O O -5.529 -3.124 -2.013 1.00 . A A . 18 PRO O 1 1 3 1207 1 1 20 GLU C C -4.743 -0.385 -3.846 1.00 . A A . 19 GLU C 1 1 3 1208 1 1 20 GLU CA C -6.108 -0.709 -3.245 1.00 . A A . 19 GLU CA 1 1 3 1209 1 1 20 GLU CB C -7.090 0.427 -3.536 1.00 . A A . 19 GLU CB 1 1 3 1210 1 1 20 GLU CD C -7.905 2.117 -5.228 1.00 . A A . 19 GLU CD 1 1 3 1211 1 1 20 GLU CG C -6.783 1.182 -4.818 1.00 . A A . 19 GLU CG 1 1 3 1212 1 1 20 GLU H H -6.145 -0.181 -1.195 1.00 . A A . 19 GLU H 1 1 3 1213 1 1 20 GLU HA H -6.480 -1.618 -3.695 1.00 . A A . 19 GLU HA 1 1 3 1214 1 1 20 GLU HB2 H -8.086 0.016 -3.614 1.00 . A A . 19 GLU HB2 1 1 3 1215 1 1 20 GLU HB3 H -7.063 1.128 -2.715 1.00 . A A . 19 GLU HB3 1 1 3 1216 1 1 20 GLU HG2 H -5.886 1.765 -4.673 1.00 . A A . 19 GLU HG2 1 1 3 1217 1 1 20 GLU HG3 H -6.623 0.467 -5.612 1.00 . A A . 19 GLU HG3 1 1 3 1218 1 1 20 GLU N N -6.003 -0.934 -1.807 1.00 . A A . 19 GLU N 1 1 3 1219 1 1 20 GLU O O -4.597 -0.292 -5.064 1.00 . A A . 19 GLU O 1 1 3 1220 1 1 20 GLU OE1 O -8.705 2.504 -4.351 1.00 . A A . 19 GLU OE1 1 1 3 1221 1 1 20 GLU OE2 O -7.982 2.461 -6.426 1.00 . A A . 19 GLU OE2 1 1 3 1222 1 1 21 ALA C C -1.604 -1.173 -3.713 1.00 . A A . 20 ALA C 1 1 3 1223 1 1 21 ALA CA C -2.396 0.099 -3.427 1.00 . A A . 20 ALA CA 1 1 3 1224 1 1 21 ALA CB C -1.681 0.946 -2.386 1.00 . A A . 20 ALA CB 1 1 3 1225 1 1 21 ALA H H -3.929 -0.301 -2.023 1.00 . A A . 20 ALA H 1 1 3 1226 1 1 21 ALA HA H -2.469 0.677 -4.337 1.00 . A A . 20 ALA HA 1 1 3 1227 1 1 21 ALA HB1 H -0.666 1.131 -2.707 1.00 . A A . 20 ALA HB1 1 1 3 1228 1 1 21 ALA HB2 H -2.198 1.887 -2.268 1.00 . A A . 20 ALA HB2 1 1 3 1229 1 1 21 ALA HB3 H -1.669 0.422 -1.442 1.00 . A A . 20 ALA HB3 1 1 3 1230 1 1 21 ALA N N -3.749 -0.214 -2.982 1.00 . A A . 20 ALA N 1 1 3 1231 1 1 21 ALA O O -2.064 -2.278 -3.427 1.00 . A A . 20 ALA O 1 1 3 1232 1 1 22 ILE C C 1.689 -2.160 -3.725 1.00 . A A . 21 ILE C 1 1 3 1233 1 1 22 ILE CA C 0.441 -2.143 -4.603 1.00 . A A . 21 ILE CA 1 1 3 1234 1 1 22 ILE CB C 0.868 -2.122 -6.082 1.00 . A A . 21 ILE CB 1 1 3 1235 1 1 22 ILE CD1 C -1.318 -3.268 -6.704 1.00 . A A . 21 ILE CD1 1 1 3 1236 1 1 22 ILE CG1 C -0.363 -2.131 -6.991 1.00 . A A . 21 ILE CG1 1 1 3 1237 1 1 22 ILE CG2 C 1.769 -3.308 -6.391 1.00 . A A . 21 ILE CG2 1 1 3 1238 1 1 22 ILE H H -0.102 -0.102 -4.483 1.00 . A A . 21 ILE H 1 1 3 1239 1 1 22 ILE HA H -0.123 -3.047 -4.424 1.00 . A A . 21 ILE HA 1 1 3 1240 1 1 22 ILE HB H 1.431 -1.218 -6.259 1.00 . A A . 21 ILE HB 1 1 3 1241 1 1 22 ILE HD11 H -0.758 -4.144 -6.410 1.00 . A A . 21 ILE HD11 1 1 3 1242 1 1 22 ILE HD12 H -1.988 -2.984 -5.906 1.00 . A A . 21 ILE HD12 1 1 3 1243 1 1 22 ILE HD13 H -1.891 -3.490 -7.592 1.00 . A A . 21 ILE HD13 1 1 3 1244 1 1 22 ILE HG12 H -0.902 -1.205 -6.865 1.00 . A A . 21 ILE HG12 1 1 3 1245 1 1 22 ILE HG13 H -0.041 -2.218 -8.019 1.00 . A A . 21 ILE HG13 1 1 3 1246 1 1 22 ILE HG21 H 2.005 -3.317 -7.444 1.00 . A A . 21 ILE HG21 1 1 3 1247 1 1 22 ILE HG22 H 2.681 -3.225 -5.819 1.00 . A A . 21 ILE HG22 1 1 3 1248 1 1 22 ILE HG23 H 1.261 -4.224 -6.128 1.00 . A A . 21 ILE HG23 1 1 3 1249 1 1 22 ILE N N -0.414 -1.008 -4.279 1.00 . A A . 21 ILE N 1 1 3 1250 1 1 22 ILE O O 2.332 -3.196 -3.561 1.00 . A A . 21 ILE O 1 1 3 1251 1 1 23 LYS C C 2.949 0.136 -1.191 1.00 . A A . 22 LYS C 1 1 3 1252 1 1 23 LYS CA C 3.193 -0.885 -2.298 1.00 . A A . 22 LYS CA 1 1 3 1253 1 1 23 LYS CB C 4.420 -0.479 -3.118 1.00 . A A . 22 LYS CB 1 1 3 1254 1 1 23 LYS CD C 5.319 0.945 -4.981 1.00 . A A . 22 LYS CD 1 1 3 1255 1 1 23 LYS CE C 5.148 2.235 -5.770 1.00 . A A . 22 LYS CE 1 1 3 1256 1 1 23 LYS CG C 4.199 0.758 -3.972 1.00 . A A . 22 LYS CG 1 1 3 1257 1 1 23 LYS H H 1.471 -0.211 -3.331 1.00 . A A . 22 LYS H 1 1 3 1258 1 1 23 LYS HA H 3.373 -1.849 -1.849 1.00 . A A . 22 LYS HA 1 1 3 1259 1 1 23 LYS HB2 H 5.240 -0.284 -2.443 1.00 . A A . 22 LYS HB2 1 1 3 1260 1 1 23 LYS HB3 H 4.688 -1.297 -3.770 1.00 . A A . 22 LYS HB3 1 1 3 1261 1 1 23 LYS HD2 H 6.263 0.981 -4.457 1.00 . A A . 22 LYS HD2 1 1 3 1262 1 1 23 LYS HD3 H 5.317 0.110 -5.667 1.00 . A A . 22 LYS HD3 1 1 3 1263 1 1 23 LYS HE2 H 5.876 2.253 -6.567 1.00 . A A . 22 LYS HE2 1 1 3 1264 1 1 23 LYS HE3 H 4.154 2.253 -6.192 1.00 . A A . 22 LYS HE3 1 1 3 1265 1 1 23 LYS HG2 H 3.265 0.657 -4.502 1.00 . A A . 22 LYS HG2 1 1 3 1266 1 1 23 LYS HG3 H 4.158 1.626 -3.328 1.00 . A A . 22 LYS HG3 1 1 3 1267 1 1 23 LYS HZ1 H 5.689 3.159 -3.977 1.00 . A A . 22 LYS HZ1 1 1 3 1268 1 1 23 LYS HZ2 H 4.429 3.935 -4.794 1.00 . A A . 22 LYS HZ2 1 1 3 1269 1 1 23 LYS HZ3 H 6.018 4.087 -5.352 1.00 . A A . 22 LYS HZ3 1 1 3 1270 1 1 23 LYS N N 2.024 -1.004 -3.162 1.00 . A A . 22 LYS N 1 1 3 1271 1 1 23 LYS NZ N 5.334 3.438 -4.914 1.00 . A A . 22 LYS NZ 1 1 3 1272 1 1 23 LYS O O 1.886 0.754 -1.126 1.00 . A A . 22 LYS O 1 1 3 1273 1 1 24 CYS C C 3.852 2.691 0.271 1.00 . A A . 23 CYS C 1 1 3 1274 1 1 24 CYS CA C 3.834 1.254 0.782 1.00 . A A . 23 CYS CA 1 1 3 1275 1 1 24 CYS CB C 4.976 1.040 1.776 1.00 . A A . 23 CYS CB 1 1 3 1276 1 1 24 CYS H H 4.763 -0.214 -0.426 1.00 . A A . 23 CYS H 1 1 3 1277 1 1 24 CYS HA H 2.894 1.076 1.283 1.00 . A A . 23 CYS HA 1 1 3 1278 1 1 24 CYS HB2 H 5.252 -0.005 1.776 1.00 . A A . 23 CYS HB2 1 1 3 1279 1 1 24 CYS HB3 H 5.827 1.631 1.468 1.00 . A A . 23 CYS HB3 1 1 3 1280 1 1 24 CYS N N 3.939 0.308 -0.323 1.00 . A A . 23 CYS N 1 1 3 1281 1 1 24 CYS O O 4.330 2.964 -0.831 1.00 . A A . 23 CYS O 1 1 3 1282 1 1 24 CYS SG S 4.568 1.503 3.490 1.00 . A A . 23 CYS SG 1 1 3 1283 1 1 25 VAL C C 4.277 5.833 1.534 1.00 . A A . 24 VAL C 1 1 3 1284 1 1 25 VAL CA C 3.287 5.019 0.709 1.00 . A A . 24 VAL CA 1 1 3 1285 1 1 25 VAL CB C 1.875 5.605 0.896 1.00 . A A . 24 VAL CB 1 1 3 1286 1 1 25 VAL CG1 C 1.465 5.554 2.360 1.00 . A A . 24 VAL CG1 1 1 3 1287 1 1 25 VAL CG2 C 1.817 7.031 0.367 1.00 . A A . 24 VAL CG2 1 1 3 1288 1 1 25 VAL H H 2.963 3.330 1.943 1.00 . A A . 24 VAL H 1 1 3 1289 1 1 25 VAL HA H 3.551 5.098 -0.336 1.00 . A A . 24 VAL HA 1 1 3 1290 1 1 25 VAL HB H 1.179 5.004 0.329 1.00 . A A . 24 VAL HB 1 1 3 1291 1 1 25 VAL HG11 H 0.556 4.980 2.459 1.00 . A A . 24 VAL HG11 1 1 3 1292 1 1 25 VAL HG12 H 2.251 5.089 2.938 1.00 . A A . 24 VAL HG12 1 1 3 1293 1 1 25 VAL HG13 H 1.297 6.558 2.722 1.00 . A A . 24 VAL HG13 1 1 3 1294 1 1 25 VAL HG21 H 2.604 7.177 -0.358 1.00 . A A . 24 VAL HG21 1 1 3 1295 1 1 25 VAL HG22 H 0.859 7.202 -0.102 1.00 . A A . 24 VAL HG22 1 1 3 1296 1 1 25 VAL HG23 H 1.946 7.724 1.184 1.00 . A A . 24 VAL HG23 1 1 3 1297 1 1 25 VAL N N 3.330 3.609 1.078 1.00 . A A . 24 VAL N 1 1 3 1298 1 1 25 VAL O O 4.174 7.056 1.616 1.00 . A A . 24 VAL O 1 1 3 1299 1 1 26 ALA C C 7.639 5.255 2.659 1.00 . A A . 25 ALA C 1 1 3 1300 1 1 26 ALA CA C 6.249 5.804 2.959 1.00 . A A . 25 ALA CA 1 1 3 1301 1 1 26 ALA CB C 5.922 5.642 4.436 1.00 . A A . 25 ALA CB 1 1 3 1302 1 1 26 ALA H H 5.267 4.171 2.039 1.00 . A A . 25 ALA H 1 1 3 1303 1 1 26 ALA HA H 6.231 6.859 2.726 1.00 . A A . 25 ALA HA 1 1 3 1304 1 1 26 ALA HB1 H 5.169 6.364 4.719 1.00 . A A . 25 ALA HB1 1 1 3 1305 1 1 26 ALA HB2 H 5.550 4.644 4.616 1.00 . A A . 25 ALA HB2 1 1 3 1306 1 1 26 ALA HB3 H 6.815 5.805 5.022 1.00 . A A . 25 ALA HB3 1 1 3 1307 1 1 26 ALA N N 5.237 5.144 2.143 1.00 . A A . 25 ALA N 1 1 3 1308 1 1 26 ALA O O 8.611 6.007 2.580 1.00 . A A . 25 ALA O 1 1 3 1309 1 1 27 CYS C C 8.987 2.662 0.814 1.00 . A A . 26 CYS C 1 1 3 1310 1 1 27 CYS CA C 9.001 3.288 2.206 1.00 . A A . 26 CYS CA 1 1 3 1311 1 1 27 CYS CB C 9.300 2.216 3.256 1.00 . A A . 26 CYS CB 1 1 3 1312 1 1 27 CYS H H 6.918 3.392 2.570 1.00 . A A . 26 CYS H 1 1 3 1313 1 1 27 CYS HA H 9.774 4.040 2.241 1.00 . A A . 26 CYS HA 1 1 3 1314 1 1 27 CYS HB2 H 10.353 1.975 3.222 1.00 . A A . 26 CYS HB2 1 1 3 1315 1 1 27 CYS HB3 H 9.055 2.604 4.234 1.00 . A A . 26 CYS HB3 1 1 3 1316 1 1 27 CYS N N 7.729 3.939 2.495 1.00 . A A . 26 CYS N 1 1 3 1317 1 1 27 CYS O O 10.028 2.269 0.290 1.00 . A A . 26 CYS O 1 1 3 1318 1 1 27 CYS SG S 8.371 0.667 3.023 1.00 . A A . 26 CYS SG 1 1 3 1319 1 1 28 GLU C C 7.953 0.500 -1.088 1.00 . A A . 27 GLU C 1 1 3 1320 1 1 28 GLU CA C 7.651 1.995 -1.108 1.00 . A A . 27 GLU CA 1 1 3 1321 1 1 28 GLU CB C 8.576 2.701 -2.102 1.00 . A A . 27 GLU CB 1 1 3 1322 1 1 28 GLU CD C 7.320 4.828 -1.574 1.00 . A A . 27 GLU CD 1 1 3 1323 1 1 28 GLU CG C 8.665 4.203 -1.890 1.00 . A A . 27 GLU CG 1 1 3 1324 1 1 28 GLU H H 7.005 2.905 0.692 1.00 . A A . 27 GLU H 1 1 3 1325 1 1 28 GLU HA H 6.627 2.139 -1.419 1.00 . A A . 27 GLU HA 1 1 3 1326 1 1 28 GLU HB2 H 9.568 2.286 -2.008 1.00 . A A . 27 GLU HB2 1 1 3 1327 1 1 28 GLU HB3 H 8.213 2.521 -3.103 1.00 . A A . 27 GLU HB3 1 1 3 1328 1 1 28 GLU HG2 H 9.337 4.399 -1.068 1.00 . A A . 27 GLU HG2 1 1 3 1329 1 1 28 GLU HG3 H 9.055 4.658 -2.788 1.00 . A A . 27 GLU HG3 1 1 3 1330 1 1 28 GLU N N 7.800 2.574 0.222 1.00 . A A . 27 GLU N 1 1 3 1331 1 1 28 GLU O O 8.714 -0.003 -1.915 1.00 . A A . 27 GLU O 1 1 3 1332 1 1 28 GLU OE1 O 6.910 4.790 -0.395 1.00 . A A . 27 GLU OE1 1 1 3 1333 1 1 28 GLU OE2 O 6.678 5.357 -2.505 1.00 . A A . 27 GLU OE2 1 1 3 1334 1 1 29 THR C C 6.537 -2.421 -0.829 1.00 . A A . 28 THR C 1 1 3 1335 1 1 29 THR CA C 7.557 -1.643 -0.006 1.00 . A A . 28 THR CA 1 1 3 1336 1 1 29 THR CB C 7.463 -2.094 1.464 1.00 . A A . 28 THR CB 1 1 3 1337 1 1 29 THR CG2 C 6.629 -3.360 1.591 1.00 . A A . 28 THR CG2 1 1 3 1338 1 1 29 THR H H 6.756 0.251 0.494 1.00 . A A . 28 THR H 1 1 3 1339 1 1 29 THR HA H 8.548 -1.873 -0.368 1.00 . A A . 28 THR HA 1 1 3 1340 1 1 29 THR HB H 6.987 -1.309 2.036 1.00 . A A . 28 THR HB 1 1 3 1341 1 1 29 THR HG1 H 9.209 -3.010 1.477 1.00 . A A . 28 THR HG1 1 1 3 1342 1 1 29 THR HG21 H 6.755 -3.777 2.579 1.00 . A A . 28 THR HG21 1 1 3 1343 1 1 29 THR HG22 H 6.954 -4.079 0.853 1.00 . A A . 28 THR HG22 1 1 3 1344 1 1 29 THR HG23 H 5.588 -3.123 1.430 1.00 . A A . 28 THR HG23 1 1 3 1345 1 1 29 THR N N 7.352 -0.207 -0.136 1.00 . A A . 28 THR N 1 1 3 1346 1 1 29 THR O O 5.380 -2.025 -0.963 1.00 . A A . 28 THR O 1 1 3 1347 1 1 29 THR OG1 O 8.774 -2.325 1.991 1.00 . A A . 28 THR OG1 1 1 3 1348 1 1 30 PRO C C 5.046 -5.124 -1.389 1.00 . A A . 29 PRO C 1 1 3 1349 1 1 30 PRO CA C 6.114 -4.415 -2.215 1.00 . A A . 29 PRO CA 1 1 3 1350 1 1 30 PRO CB C 7.092 -5.432 -2.810 1.00 . A A . 29 PRO CB 1 1 3 1351 1 1 30 PRO CD C 8.342 -4.089 -1.277 1.00 . A A . 29 PRO CD 1 1 3 1352 1 1 30 PRO CG C 8.226 -5.477 -1.845 1.00 . A A . 29 PRO CG 1 1 3 1353 1 1 30 PRO HA H 5.642 -3.859 -3.012 1.00 . A A . 29 PRO HA 1 1 3 1354 1 1 30 PRO HB2 H 6.606 -6.394 -2.896 1.00 . A A . 29 PRO HB2 1 1 3 1355 1 1 30 PRO HB3 H 7.416 -5.097 -3.784 1.00 . A A . 29 PRO HB3 1 1 3 1356 1 1 30 PRO HD2 H 8.654 -4.128 -0.244 1.00 . A A . 29 PRO HD2 1 1 3 1357 1 1 30 PRO HD3 H 9.036 -3.501 -1.860 1.00 . A A . 29 PRO HD3 1 1 3 1358 1 1 30 PRO HG2 H 8.011 -6.186 -1.059 1.00 . A A . 29 PRO HG2 1 1 3 1359 1 1 30 PRO HG3 H 9.135 -5.749 -2.360 1.00 . A A . 29 PRO HG3 1 1 3 1360 1 1 30 PRO N N 6.975 -3.557 -1.395 1.00 . A A . 29 PRO N 1 1 3 1361 1 1 30 PRO O O 5.354 -5.978 -0.558 1.00 . A A . 29 PRO O 1 1 3 1362 1 1 31 LYS C C 2.686 -6.882 -1.049 1.00 . A A . 30 LYS C 1 1 3 1363 1 1 31 LYS CA C 2.673 -5.364 -0.903 1.00 . A A . 30 LYS CA 1 1 3 1364 1 1 31 LYS CB C 1.345 -4.804 -1.416 1.00 . A A . 30 LYS CB 1 1 3 1365 1 1 31 LYS CD C -1.034 -5.479 -1.854 1.00 . A A . 30 LYS CD 1 1 3 1366 1 1 31 LYS CE C -2.027 -4.388 -1.483 1.00 . A A . 30 LYS CE 1 1 3 1367 1 1 31 LYS CG C 0.128 -5.533 -0.876 1.00 . A A . 30 LYS CG 1 1 3 1368 1 1 31 LYS H H 3.606 -4.075 -2.298 1.00 . A A . 30 LYS H 1 1 3 1369 1 1 31 LYS HA H 2.779 -5.115 0.142 1.00 . A A . 30 LYS HA 1 1 3 1370 1 1 31 LYS HB2 H 1.272 -3.765 -1.130 1.00 . A A . 30 LYS HB2 1 1 3 1371 1 1 31 LYS HB3 H 1.332 -4.873 -2.494 1.00 . A A . 30 LYS HB3 1 1 3 1372 1 1 31 LYS HD2 H -0.651 -5.279 -2.844 1.00 . A A . 30 LYS HD2 1 1 3 1373 1 1 31 LYS HD3 H -1.543 -6.433 -1.850 1.00 . A A . 30 LYS HD3 1 1 3 1374 1 1 31 LYS HE2 H -2.331 -4.530 -0.458 1.00 . A A . 30 LYS HE2 1 1 3 1375 1 1 31 LYS HE3 H -1.541 -3.429 -1.584 1.00 . A A . 30 LYS HE3 1 1 3 1376 1 1 31 LYS HG2 H 0.387 -6.566 -0.699 1.00 . A A . 30 LYS HG2 1 1 3 1377 1 1 31 LYS HG3 H -0.175 -5.071 0.053 1.00 . A A . 30 LYS HG3 1 1 3 1378 1 1 31 LYS HZ1 H -3.551 -3.446 -2.556 1.00 . A A . 30 LYS HZ1 1 1 3 1379 1 1 31 LYS HZ2 H -4.004 -4.929 -1.882 1.00 . A A . 30 LYS HZ2 1 1 3 1380 1 1 31 LYS HZ3 H -3.014 -4.891 -3.253 1.00 . A A . 30 LYS HZ3 1 1 3 1381 1 1 31 LYS N N 3.788 -4.762 -1.623 1.00 . A A . 30 LYS N 1 1 3 1382 1 1 31 LYS NZ N -3.233 -4.416 -2.355 1.00 . A A . 30 LYS NZ 1 1 3 1383 1 1 31 LYS O O 3.022 -7.426 -2.102 1.00 . A A . 30 LYS O 1 1 3 1384 1 1 32 PRO C C 1.151 -9.608 -0.827 1.00 . A A . 31 PRO C 1 1 3 1385 1 1 32 PRO CA C 2.271 -9.051 0.046 1.00 . A A . 31 PRO CA 1 1 3 1386 1 1 32 PRO CB C 2.017 -9.383 1.518 1.00 . A A . 31 PRO CB 1 1 3 1387 1 1 32 PRO CD C 1.901 -7.004 1.319 1.00 . A A . 31 PRO CD 1 1 3 1388 1 1 32 PRO CG C 1.333 -8.179 2.066 1.00 . A A . 31 PRO CG 1 1 3 1389 1 1 32 PRO HA H 3.214 -9.478 -0.264 1.00 . A A . 31 PRO HA 1 1 3 1390 1 1 32 PRO HB2 H 1.391 -10.261 1.589 1.00 . A A . 31 PRO HB2 1 1 3 1391 1 1 32 PRO HB3 H 2.957 -9.564 2.018 1.00 . A A . 31 PRO HB3 1 1 3 1392 1 1 32 PRO HD2 H 1.144 -6.247 1.176 1.00 . A A . 31 PRO HD2 1 1 3 1393 1 1 32 PRO HD3 H 2.751 -6.597 1.847 1.00 . A A . 31 PRO HD3 1 1 3 1394 1 1 32 PRO HG2 H 0.269 -8.253 1.897 1.00 . A A . 31 PRO HG2 1 1 3 1395 1 1 32 PRO HG3 H 1.540 -8.087 3.122 1.00 . A A . 31 PRO HG3 1 1 3 1396 1 1 32 PRO N N 2.313 -7.586 0.030 1.00 . A A . 31 PRO N 1 1 3 1397 1 1 32 PRO O O 1.285 -9.609 -2.049 1.00 . A A . 31 PRO O 1 1 3 1398 2 2 1 ZN ZN ZN 6.567 0.772 4.603 1.00 . B A . 32 ZN ZN 1 1 4 1399 1 1 2 HIS C C -11.057 -8.533 1.178 1.00 . A A . 1 HIS C 1 1 4 1400 1 1 2 HIS CA C -11.333 -8.192 -0.284 1.00 . A A . 1 HIS CA 1 1 4 1401 1 1 2 HIS CB C -12.229 -6.957 -0.372 1.00 . A A . 1 HIS CB 1 1 4 1402 1 1 2 HIS CD2 C -11.265 -6.405 -2.715 1.00 . A A . 1 HIS CD2 1 1 4 1403 1 1 2 HIS CE1 C -12.490 -4.642 -3.159 1.00 . A A . 1 HIS CE1 1 1 4 1404 1 1 2 HIS CG C -12.084 -6.202 -1.658 1.00 . A A . 1 HIS CG 1 1 4 1405 1 1 2 HIS H H -12.887 -9.545 -0.771 1.00 . A A . 1 HIS H 1 1 4 1406 1 1 2 HIS HA H -10.395 -7.982 -0.774 1.00 . A A . 1 HIS HA 1 1 4 1407 1 1 2 HIS HB2 H -13.261 -7.262 -0.281 1.00 . A A . 1 HIS HB2 1 1 4 1408 1 1 2 HIS HB3 H -11.984 -6.284 0.438 1.00 . A A . 1 HIS HB3 1 1 4 1409 1 1 2 HIS HD1 H -13.527 -4.689 -1.396 1.00 . A A . 1 HIS HD1 1 1 4 1410 1 1 2 HIS HD2 H -10.533 -7.194 -2.818 1.00 . A A . 1 HIS HD2 1 1 4 1411 1 1 2 HIS HE1 H -12.912 -3.783 -3.660 1.00 . A A . 1 HIS HE1 1 1 4 1412 1 1 2 HIS N N -11.955 -9.319 -0.970 1.00 . A A . 1 HIS N 1 1 4 1413 1 1 2 HIS ND1 N -12.838 -5.090 -1.966 1.00 . A A . 1 HIS ND1 1 1 4 1414 1 1 2 HIS NE2 N -11.537 -5.422 -3.635 1.00 . A A . 1 HIS NE2 1 1 4 1415 1 1 2 HIS O O -11.402 -7.769 2.078 1.00 . A A . 1 HIS O 1 1 4 1416 1 1 3 MET C C -9.542 -8.975 3.582 1.00 . A A . 2 MET C 1 1 4 1417 1 1 3 MET CA C -10.112 -10.125 2.757 1.00 . A A . 2 MET CA 1 1 4 1418 1 1 3 MET CB C -9.112 -11.283 2.716 1.00 . A A . 2 MET CB 1 1 4 1419 1 1 3 MET CE C -5.518 -10.599 2.250 1.00 . A A . 2 MET CE 1 1 4 1420 1 1 3 MET CG C -8.133 -11.198 1.556 1.00 . A A . 2 MET CG 1 1 4 1421 1 1 3 MET H H -10.184 -10.251 0.645 1.00 . A A . 2 MET H 1 1 4 1422 1 1 3 MET HA H -11.026 -10.466 3.220 1.00 . A A . 2 MET HA 1 1 4 1423 1 1 3 MET HB2 H -8.548 -11.289 3.635 1.00 . A A . 2 MET HB2 1 1 4 1424 1 1 3 MET HB3 H -9.658 -12.210 2.629 1.00 . A A . 2 MET HB3 1 1 4 1425 1 1 3 MET HE1 H -5.357 -10.516 3.314 1.00 . A A . 2 MET HE1 1 1 4 1426 1 1 3 MET HE2 H -4.568 -10.727 1.751 1.00 . A A . 2 MET HE2 1 1 4 1427 1 1 3 MET HE3 H -5.997 -9.701 1.887 1.00 . A A . 2 MET HE3 1 1 4 1428 1 1 3 MET HG2 H -8.577 -11.667 0.691 1.00 . A A . 2 MET HG2 1 1 4 1429 1 1 3 MET HG3 H -7.943 -10.157 1.340 1.00 . A A . 2 MET HG3 1 1 4 1430 1 1 3 MET N N -10.433 -9.684 1.405 1.00 . A A . 2 MET N 1 1 4 1431 1 1 3 MET O O -9.713 -8.928 4.800 1.00 . A A . 2 MET O 1 1 4 1432 1 1 3 MET SD S -6.565 -12.012 1.911 1.00 . A A . 2 MET SD 1 1 4 1433 1 1 4 VAL C C -9.307 -6.143 4.399 1.00 . A A . 3 VAL C 1 1 4 1434 1 1 4 VAL CA C -8.268 -6.901 3.581 1.00 . A A . 3 VAL CA 1 1 4 1435 1 1 4 VAL CB C -7.621 -5.935 2.572 1.00 . A A . 3 VAL CB 1 1 4 1436 1 1 4 VAL CG1 C -6.420 -6.585 1.904 1.00 . A A . 3 VAL CG1 1 1 4 1437 1 1 4 VAL CG2 C -8.640 -5.487 1.535 1.00 . A A . 3 VAL CG2 1 1 4 1438 1 1 4 VAL H H -8.759 -8.144 1.941 1.00 . A A . 3 VAL H 1 1 4 1439 1 1 4 VAL HA H -7.496 -7.264 4.246 1.00 . A A . 3 VAL HA 1 1 4 1440 1 1 4 VAL HB H -7.278 -5.062 3.108 1.00 . A A . 3 VAL HB 1 1 4 1441 1 1 4 VAL HG11 H -5.618 -6.682 2.621 1.00 . A A . 3 VAL HG11 1 1 4 1442 1 1 4 VAL HG12 H -6.696 -7.563 1.536 1.00 . A A . 3 VAL HG12 1 1 4 1443 1 1 4 VAL HG13 H -6.090 -5.971 1.079 1.00 . A A . 3 VAL HG13 1 1 4 1444 1 1 4 VAL HG21 H -9.087 -4.555 1.849 1.00 . A A . 3 VAL HG21 1 1 4 1445 1 1 4 VAL HG22 H -8.149 -5.348 0.583 1.00 . A A . 3 VAL HG22 1 1 4 1446 1 1 4 VAL HG23 H -9.409 -6.240 1.437 1.00 . A A . 3 VAL HG23 1 1 4 1447 1 1 4 VAL N N -8.862 -8.051 2.911 1.00 . A A . 3 VAL N 1 1 4 1448 1 1 4 VAL O O -10.268 -5.601 3.852 1.00 . A A . 3 VAL O 1 1 4 1449 1 1 5 ILE C C -10.284 -3.990 6.134 1.00 . A A . 4 ILE C 1 1 4 1450 1 1 5 ILE CA C -10.030 -5.418 6.606 1.00 . A A . 4 ILE CA 1 1 4 1451 1 1 5 ILE CB C -9.492 -5.381 8.049 1.00 . A A . 4 ILE CB 1 1 4 1452 1 1 5 ILE CD1 C -9.111 -6.826 10.110 1.00 . A A . 4 ILE CD1 1 1 4 1453 1 1 5 ILE CG1 C -9.776 -6.708 8.756 1.00 . A A . 4 ILE CG1 1 1 4 1454 1 1 5 ILE CG2 C -10.113 -4.223 8.817 1.00 . A A . 4 ILE CG2 1 1 4 1455 1 1 5 ILE H H -8.326 -6.562 6.090 1.00 . A A . 4 ILE H 1 1 4 1456 1 1 5 ILE HA H -10.965 -5.958 6.605 1.00 . A A . 4 ILE HA 1 1 4 1457 1 1 5 ILE HB H -8.426 -5.223 8.009 1.00 . A A . 4 ILE HB 1 1 4 1458 1 1 5 ILE HD11 H -8.153 -6.327 10.085 1.00 . A A . 4 ILE HD11 1 1 4 1459 1 1 5 ILE HD12 H -9.738 -6.369 10.860 1.00 . A A . 4 ILE HD12 1 1 4 1460 1 1 5 ILE HD13 H -8.965 -7.869 10.350 1.00 . A A . 4 ILE HD13 1 1 4 1461 1 1 5 ILE HG12 H -10.839 -6.812 8.900 1.00 . A A . 4 ILE HG12 1 1 4 1462 1 1 5 ILE HG13 H -9.419 -7.520 8.138 1.00 . A A . 4 ILE HG13 1 1 4 1463 1 1 5 ILE HG21 H -9.959 -4.368 9.875 1.00 . A A . 4 ILE HG21 1 1 4 1464 1 1 5 ILE HG22 H -9.649 -3.298 8.509 1.00 . A A . 4 ILE HG22 1 1 4 1465 1 1 5 ILE HG23 H -11.172 -4.181 8.610 1.00 . A A . 4 ILE HG23 1 1 4 1466 1 1 5 ILE N N -9.110 -6.110 5.713 1.00 . A A . 4 ILE N 1 1 4 1467 1 1 5 ILE O O -11.246 -3.349 6.554 1.00 . A A . 4 ILE O 1 1 4 1468 1 1 6 GLY C C -8.252 -1.392 4.713 1.00 . A A . 5 GLY C 1 1 4 1469 1 1 6 GLY CA C -9.564 -2.151 4.739 1.00 . A A . 5 GLY CA 1 1 4 1470 1 1 6 GLY H H -8.666 -4.057 4.956 1.00 . A A . 5 GLY H 1 1 4 1471 1 1 6 GLY HA2 H -9.957 -2.204 3.735 1.00 . A A . 5 GLY HA2 1 1 4 1472 1 1 6 GLY HA3 H -10.264 -1.615 5.362 1.00 . A A . 5 GLY HA3 1 1 4 1473 1 1 6 GLY N N -9.415 -3.499 5.255 1.00 . A A . 5 GLY N 1 1 4 1474 1 1 6 GLY O O -8.202 -0.235 4.296 1.00 . A A . 5 GLY O 1 1 4 1475 1 1 7 THR C C -4.817 -2.382 5.744 1.00 . A A . 6 THR C 1 1 4 1476 1 1 7 THR CA C -5.866 -1.422 5.193 1.00 . A A . 6 THR CA 1 1 4 1477 1 1 7 THR CB C -5.869 -0.139 6.045 1.00 . A A . 6 THR CB 1 1 4 1478 1 1 7 THR CG2 C -6.122 1.086 5.178 1.00 . A A . 6 THR CG2 1 1 4 1479 1 1 7 THR H H -7.286 -2.964 5.483 1.00 . A A . 6 THR H 1 1 4 1480 1 1 7 THR HA H -5.599 -1.156 4.180 1.00 . A A . 6 THR HA 1 1 4 1481 1 1 7 THR HB H -4.902 -0.035 6.516 1.00 . A A . 6 THR HB 1 1 4 1482 1 1 7 THR HG1 H -7.159 -1.140 7.151 1.00 . A A . 6 THR HG1 1 1 4 1483 1 1 7 THR HG21 H -7.011 1.593 5.521 1.00 . A A . 6 THR HG21 1 1 4 1484 1 1 7 THR HG22 H -6.256 0.778 4.151 1.00 . A A . 6 THR HG22 1 1 4 1485 1 1 7 THR HG23 H -5.277 1.754 5.247 1.00 . A A . 6 THR HG23 1 1 4 1486 1 1 7 THR N N -7.184 -2.043 5.164 1.00 . A A . 6 THR N 1 1 4 1487 1 1 7 THR O O -5.118 -3.224 6.591 1.00 . A A . 6 THR O 1 1 4 1488 1 1 7 THR OG1 O -6.876 -0.227 7.059 1.00 . A A . 6 THR OG1 1 1 4 1489 1 1 8 TRP C C -1.341 -2.274 6.253 1.00 . A A . 7 TRP C 1 1 4 1490 1 1 8 TRP CA C -2.495 -3.105 5.706 1.00 . A A . 7 TRP CA 1 1 4 1491 1 1 8 TRP CB C -2.005 -3.985 4.553 1.00 . A A . 7 TRP CB 1 1 4 1492 1 1 8 TRP CD1 C -2.678 -2.720 2.427 1.00 . A A . 7 TRP CD1 1 1 4 1493 1 1 8 TRP CD2 C -0.467 -2.865 2.752 1.00 . A A . 7 TRP CD2 1 1 4 1494 1 1 8 TRP CE2 C -0.701 -2.153 1.559 1.00 . A A . 7 TRP CE2 1 1 4 1495 1 1 8 TRP CE3 C 0.852 -3.080 3.160 1.00 . A A . 7 TRP CE3 1 1 4 1496 1 1 8 TRP CG C -1.745 -3.218 3.292 1.00 . A A . 7 TRP CG 1 1 4 1497 1 1 8 TRP CH2 C 1.617 -1.881 1.197 1.00 . A A . 7 TRP CH2 1 1 4 1498 1 1 8 TRP CZ2 C 0.335 -1.657 0.773 1.00 . A A . 7 TRP CZ2 1 1 4 1499 1 1 8 TRP CZ3 C 1.880 -2.587 2.379 1.00 . A A . 7 TRP CZ3 1 1 4 1500 1 1 8 TRP H H -3.411 -1.560 4.586 1.00 . A A . 7 TRP H 1 1 4 1501 1 1 8 TRP HA H -2.872 -3.740 6.494 1.00 . A A . 7 TRP HA 1 1 4 1502 1 1 8 TRP HB2 H -1.086 -4.470 4.844 1.00 . A A . 7 TRP HB2 1 1 4 1503 1 1 8 TRP HB3 H -2.754 -4.735 4.340 1.00 . A A . 7 TRP HB3 1 1 4 1504 1 1 8 TRP HD1 H -3.744 -2.825 2.558 1.00 . A A . 7 TRP HD1 1 1 4 1505 1 1 8 TRP HE1 H -2.513 -1.638 0.634 1.00 . A A . 7 TRP HE1 1 1 4 1506 1 1 8 TRP HE3 H 1.074 -3.621 4.068 1.00 . A A . 7 TRP HE3 1 1 4 1507 1 1 8 TRP HH2 H 2.451 -1.515 0.618 1.00 . A A . 7 TRP HH2 1 1 4 1508 1 1 8 TRP HZ2 H 0.150 -1.111 -0.140 1.00 . A A . 7 TRP HZ2 1 1 4 1509 1 1 8 TRP HZ3 H 2.906 -2.743 2.679 1.00 . A A . 7 TRP HZ3 1 1 4 1510 1 1 8 TRP N N -3.589 -2.250 5.259 1.00 . A A . 7 TRP N 1 1 4 1511 1 1 8 TRP NE1 N -2.058 -2.079 1.383 1.00 . A A . 7 TRP NE1 1 1 4 1512 1 1 8 TRP O O -0.976 -1.247 5.678 1.00 . A A . 7 TRP O 1 1 4 1513 1 1 9 ASP C C 1.680 -2.604 7.534 1.00 . A A . 8 ASP C 1 1 4 1514 1 1 9 ASP CA C 0.346 -2.019 7.988 1.00 . A A . 8 ASP CA 1 1 4 1515 1 1 9 ASP CB C 0.235 -2.093 9.512 1.00 . A A . 8 ASP CB 1 1 4 1516 1 1 9 ASP CG C -1.198 -1.990 9.994 1.00 . A A . 8 ASP CG 1 1 4 1517 1 1 9 ASP H H -1.105 -3.547 7.775 1.00 . A A . 8 ASP H 1 1 4 1518 1 1 9 ASP HA H 0.299 -0.985 7.683 1.00 . A A . 8 ASP HA 1 1 4 1519 1 1 9 ASP HB2 H 0.642 -3.035 9.851 1.00 . A A . 8 ASP HB2 1 1 4 1520 1 1 9 ASP HB3 H 0.802 -1.283 9.948 1.00 . A A . 8 ASP HB3 1 1 4 1521 1 1 9 ASP N N -0.769 -2.722 7.364 1.00 . A A . 8 ASP N 1 1 4 1522 1 1 9 ASP O O 1.775 -3.790 7.221 1.00 . A A . 8 ASP O 1 1 4 1523 1 1 9 ASP OD1 O -2.069 -1.602 9.187 1.00 . A A . 8 ASP OD1 1 1 4 1524 1 1 9 ASP OD2 O -1.451 -2.297 11.178 1.00 . A A . 8 ASP OD2 1 1 4 1525 1 1 10 CYS C C 4.710 -3.016 8.177 1.00 . A A . 9 CYS C 1 1 4 1526 1 1 10 CYS CA C 4.037 -2.194 7.082 1.00 . A A . 9 CYS CA 1 1 4 1527 1 1 10 CYS CB C 4.902 -0.983 6.733 1.00 . A A . 9 CYS CB 1 1 4 1528 1 1 10 CYS H H 2.570 -0.827 7.762 1.00 . A A . 9 CYS H 1 1 4 1529 1 1 10 CYS HA H 3.924 -2.812 6.205 1.00 . A A . 9 CYS HA 1 1 4 1530 1 1 10 CYS HB2 H 4.289 -0.239 6.246 1.00 . A A . 9 CYS HB2 1 1 4 1531 1 1 10 CYS HB3 H 5.311 -0.567 7.641 1.00 . A A . 9 CYS HB3 1 1 4 1532 1 1 10 CYS N N 2.708 -1.762 7.500 1.00 . A A . 9 CYS N 1 1 4 1533 1 1 10 CYS O O 4.210 -3.104 9.299 1.00 . A A . 9 CYS O 1 1 4 1534 1 1 10 CYS SG S 6.295 -1.361 5.621 1.00 . A A . 9 CYS SG 1 1 4 1535 1 1 11 ASP C C 8.056 -4.002 8.851 1.00 . A A . 10 ASP C 1 1 4 1536 1 1 11 ASP CA C 6.592 -4.429 8.799 1.00 . A A . 10 ASP CA 1 1 4 1537 1 1 11 ASP CB C 6.491 -5.909 8.429 1.00 . A A . 10 ASP CB 1 1 4 1538 1 1 11 ASP CG C 7.558 -6.332 7.438 1.00 . A A . 10 ASP CG 1 1 4 1539 1 1 11 ASP H H 6.197 -3.507 6.935 1.00 . A A . 10 ASP H 1 1 4 1540 1 1 11 ASP HA H 6.152 -4.281 9.774 1.00 . A A . 10 ASP HA 1 1 4 1541 1 1 11 ASP HB2 H 6.600 -6.505 9.323 1.00 . A A . 10 ASP HB2 1 1 4 1542 1 1 11 ASP HB3 H 5.523 -6.098 7.990 1.00 . A A . 10 ASP HB3 1 1 4 1543 1 1 11 ASP N N 5.848 -3.615 7.845 1.00 . A A . 10 ASP N 1 1 4 1544 1 1 11 ASP O O 8.861 -4.596 9.569 1.00 . A A . 10 ASP O 1 1 4 1545 1 1 11 ASP OD1 O 7.343 -6.147 6.221 1.00 . A A . 10 ASP OD1 1 1 4 1546 1 1 11 ASP OD2 O 8.607 -6.847 7.878 1.00 . A A . 10 ASP OD2 1 1 4 1547 1 1 12 THR C C 9.823 -1.005 8.467 1.00 . A A . 11 THR C 1 1 4 1548 1 1 12 THR CA C 9.762 -2.468 8.040 1.00 . A A . 11 THR CA 1 1 4 1549 1 1 12 THR CB C 10.366 -2.605 6.630 1.00 . A A . 11 THR CB 1 1 4 1550 1 1 12 THR CG2 C 11.544 -1.659 6.451 1.00 . A A . 11 THR CG2 1 1 4 1551 1 1 12 THR H H 7.707 -2.541 7.533 1.00 . A A . 11 THR H 1 1 4 1552 1 1 12 THR HA H 10.356 -3.058 8.723 1.00 . A A . 11 THR HA 1 1 4 1553 1 1 12 THR HB H 9.607 -2.353 5.903 1.00 . A A . 11 THR HB 1 1 4 1554 1 1 12 THR HG1 H 10.052 -4.478 6.095 1.00 . A A . 11 THR HG1 1 1 4 1555 1 1 12 THR HG21 H 11.992 -1.821 5.482 1.00 . A A . 11 THR HG21 1 1 4 1556 1 1 12 THR HG22 H 12.277 -1.846 7.223 1.00 . A A . 11 THR HG22 1 1 4 1557 1 1 12 THR HG23 H 11.200 -0.639 6.522 1.00 . A A . 11 THR HG23 1 1 4 1558 1 1 12 THR N N 8.395 -2.971 8.084 1.00 . A A . 11 THR N 1 1 4 1559 1 1 12 THR O O 10.591 -0.639 9.356 1.00 . A A . 11 THR O 1 1 4 1560 1 1 12 THR OG1 O 10.794 -3.954 6.409 1.00 . A A . 11 THR OG1 1 1 4 1561 1 1 13 CYS C C 7.801 1.572 9.067 1.00 . A A . 12 CYS C 1 1 4 1562 1 1 13 CYS CA C 8.970 1.251 8.139 1.00 . A A . 12 CYS CA 1 1 4 1563 1 1 13 CYS CB C 8.857 2.073 6.854 1.00 . A A . 12 CYS CB 1 1 4 1564 1 1 13 CYS H H 8.420 -0.524 7.125 1.00 . A A . 12 CYS H 1 1 4 1565 1 1 13 CYS HA H 9.891 1.505 8.640 1.00 . A A . 12 CYS HA 1 1 4 1566 1 1 13 CYS HB2 H 9.343 3.027 7.003 1.00 . A A . 12 CYS HB2 1 1 4 1567 1 1 13 CYS HB3 H 9.351 1.545 6.053 1.00 . A A . 12 CYS HB3 1 1 4 1568 1 1 13 CYS N N 9.010 -0.173 7.826 1.00 . A A . 12 CYS N 1 1 4 1569 1 1 13 CYS O O 7.707 2.675 9.605 1.00 . A A . 12 CYS O 1 1 4 1570 1 1 13 CYS SG S 7.143 2.402 6.329 1.00 . A A . 12 CYS SG 1 1 4 1571 1 1 14 LEU C C 4.850 1.892 9.587 1.00 . A A . 13 LEU C 1 1 4 1572 1 1 14 LEU CA C 5.751 0.779 10.111 1.00 . A A . 13 LEU CA 1 1 4 1573 1 1 14 LEU CB C 6.195 1.095 11.540 1.00 . A A . 13 LEU CB 1 1 4 1574 1 1 14 LEU CD1 C 7.863 -0.633 12.256 1.00 . A A . 13 LEU CD1 1 1 4 1575 1 1 14 LEU CD2 C 6.204 0.258 13.902 1.00 . A A . 13 LEU CD2 1 1 4 1576 1 1 14 LEU CG C 6.448 -0.110 12.447 1.00 . A A . 13 LEU CG 1 1 4 1577 1 1 14 LEU H H 7.042 -0.257 8.792 1.00 . A A . 13 LEU H 1 1 4 1578 1 1 14 LEU HA H 5.195 -0.148 10.112 1.00 . A A . 13 LEU HA 1 1 4 1579 1 1 14 LEU HB2 H 7.110 1.664 11.483 1.00 . A A . 13 LEU HB2 1 1 4 1580 1 1 14 LEU HB3 H 5.425 1.699 11.998 1.00 . A A . 13 LEU HB3 1 1 4 1581 1 1 14 LEU HD11 H 8.116 -1.293 13.073 1.00 . A A . 13 LEU HD11 1 1 4 1582 1 1 14 LEU HD12 H 8.554 0.196 12.236 1.00 . A A . 13 LEU HD12 1 1 4 1583 1 1 14 LEU HD13 H 7.925 -1.175 11.323 1.00 . A A . 13 LEU HD13 1 1 4 1584 1 1 14 LEU HD21 H 6.924 -0.251 14.527 1.00 . A A . 13 LEU HD21 1 1 4 1585 1 1 14 LEU HD22 H 5.207 -0.041 14.188 1.00 . A A . 13 LEU HD22 1 1 4 1586 1 1 14 LEU HD23 H 6.311 1.326 14.026 1.00 . A A . 13 LEU HD23 1 1 4 1587 1 1 14 LEU HG H 5.762 -0.902 12.182 1.00 . A A . 13 LEU HG 1 1 4 1588 1 1 14 LEU N N 6.914 0.600 9.248 1.00 . A A . 13 LEU N 1 1 4 1589 1 1 14 LEU O O 4.922 3.031 10.049 1.00 . A A . 13 LEU O 1 1 4 1590 1 1 15 VAL C C 1.878 1.834 7.410 1.00 . A A . 14 VAL C 1 1 4 1591 1 1 15 VAL CA C 3.083 2.526 8.037 1.00 . A A . 14 VAL CA 1 1 4 1592 1 1 15 VAL CB C 3.781 3.386 6.968 1.00 . A A . 14 VAL CB 1 1 4 1593 1 1 15 VAL CG1 C 2.765 4.226 6.210 1.00 . A A . 14 VAL CG1 1 1 4 1594 1 1 15 VAL CG2 C 4.844 4.268 7.605 1.00 . A A . 14 VAL CG2 1 1 4 1595 1 1 15 VAL H H 3.990 0.632 8.295 1.00 . A A . 14 VAL H 1 1 4 1596 1 1 15 VAL HA H 2.740 3.179 8.828 1.00 . A A . 14 VAL HA 1 1 4 1597 1 1 15 VAL HB H 4.266 2.726 6.264 1.00 . A A . 14 VAL HB 1 1 4 1598 1 1 15 VAL HG11 H 2.354 4.976 6.870 1.00 . A A . 14 VAL HG11 1 1 4 1599 1 1 15 VAL HG12 H 3.248 4.707 5.372 1.00 . A A . 14 VAL HG12 1 1 4 1600 1 1 15 VAL HG13 H 1.970 3.590 5.851 1.00 . A A . 14 VAL HG13 1 1 4 1601 1 1 15 VAL HG21 H 4.393 4.875 8.376 1.00 . A A . 14 VAL HG21 1 1 4 1602 1 1 15 VAL HG22 H 5.614 3.648 8.042 1.00 . A A . 14 VAL HG22 1 1 4 1603 1 1 15 VAL HG23 H 5.282 4.907 6.853 1.00 . A A . 14 VAL HG23 1 1 4 1604 1 1 15 VAL N N 4.000 1.555 8.622 1.00 . A A . 14 VAL N 1 1 4 1605 1 1 15 VAL O O 2.015 0.801 6.756 1.00 . A A . 14 VAL O 1 1 4 1606 1 1 16 GLN C C -0.750 2.313 5.631 1.00 . A A . 15 GLN C 1 1 4 1607 1 1 16 GLN CA C -0.532 1.851 7.068 1.00 . A A . 15 GLN CA 1 1 4 1608 1 1 16 GLN CB C -1.729 2.253 7.933 1.00 . A A . 15 GLN CB 1 1 4 1609 1 1 16 GLN CD C -0.684 2.844 10.156 1.00 . A A . 15 GLN CD 1 1 4 1610 1 1 16 GLN CG C -1.573 1.879 9.398 1.00 . A A . 15 GLN CG 1 1 4 1611 1 1 16 GLN H H 0.654 3.234 8.145 1.00 . A A . 15 GLN H 1 1 4 1612 1 1 16 GLN HA H -0.438 0.776 7.078 1.00 . A A . 15 GLN HA 1 1 4 1613 1 1 16 GLN HB2 H -1.862 3.322 7.868 1.00 . A A . 15 GLN HB2 1 1 4 1614 1 1 16 GLN HB3 H -2.612 1.763 7.551 1.00 . A A . 15 GLN HB3 1 1 4 1615 1 1 16 GLN HE21 H -2.113 4.225 10.122 1.00 . A A . 15 GLN HE21 1 1 4 1616 1 1 16 GLN HE22 H -0.646 4.682 10.912 1.00 . A A . 15 GLN HE22 1 1 4 1617 1 1 16 GLN HG2 H -2.548 1.874 9.861 1.00 . A A . 15 GLN HG2 1 1 4 1618 1 1 16 GLN HG3 H -1.142 0.890 9.460 1.00 . A A . 15 GLN HG3 1 1 4 1619 1 1 16 GLN N N 0.699 2.413 7.615 1.00 . A A . 15 GLN N 1 1 4 1620 1 1 16 GLN NE2 N -1.199 4.039 10.423 1.00 . A A . 15 GLN NE2 1 1 4 1621 1 1 16 GLN O O -0.383 3.428 5.266 1.00 . A A . 15 GLN O 1 1 4 1622 1 1 16 GLN OE1 O 0.455 2.521 10.496 1.00 . A A . 15 GLN OE1 1 1 4 1623 1 1 17 ASN C C -2.931 1.143 2.963 1.00 . A A . 16 ASN C 1 1 4 1624 1 1 17 ASN CA C -1.616 1.766 3.423 1.00 . A A . 16 ASN CA 1 1 4 1625 1 1 17 ASN CB C -0.468 1.273 2.538 1.00 . A A . 16 ASN CB 1 1 4 1626 1 1 17 ASN CG C 0.863 1.277 3.263 1.00 . A A . 16 ASN CG 1 1 4 1627 1 1 17 ASN H H -1.618 0.572 5.171 1.00 . A A . 16 ASN H 1 1 4 1628 1 1 17 ASN HA H -1.689 2.838 3.336 1.00 . A A . 16 ASN HA 1 1 4 1629 1 1 17 ASN HB2 H -0.678 0.263 2.217 1.00 . A A . 16 ASN HB2 1 1 4 1630 1 1 17 ASN HB3 H -0.388 1.912 1.673 1.00 . A A . 16 ASN HB3 1 1 4 1631 1 1 17 ASN HD21 H 0.218 -0.134 4.508 1.00 . A A . 16 ASN HD21 1 1 4 1632 1 1 17 ASN HD22 H 1.835 0.416 4.770 1.00 . A A . 16 ASN HD22 1 1 4 1633 1 1 17 ASN N N -1.349 1.446 4.821 1.00 . A A . 16 ASN N 1 1 4 1634 1 1 17 ASN ND2 N 0.984 0.434 4.284 1.00 . A A . 16 ASN ND2 1 1 4 1635 1 1 17 ASN O O -3.332 0.085 3.449 1.00 . A A . 16 ASN O 1 1 4 1636 1 1 17 ASN OD1 O 1.773 2.027 2.910 1.00 . A A . 16 ASN OD1 1 1 4 1637 1 1 18 LYS C C -4.679 -0.015 0.777 1.00 . A A . 17 LYS C 1 1 4 1638 1 1 18 LYS CA C -4.865 1.318 1.496 1.00 . A A . 17 LYS CA 1 1 4 1639 1 1 18 LYS CB C -5.472 2.346 0.539 1.00 . A A . 17 LYS CB 1 1 4 1640 1 1 18 LYS CD C -5.714 3.106 -1.843 1.00 . A A . 17 LYS CD 1 1 4 1641 1 1 18 LYS CE C -5.365 4.585 -1.775 1.00 . A A . 17 LYS CE 1 1 4 1642 1 1 18 LYS CG C -4.887 2.292 -0.861 1.00 . A A . 17 LYS CG 1 1 4 1643 1 1 18 LYS H H -3.224 2.643 1.676 1.00 . A A . 17 LYS H 1 1 4 1644 1 1 18 LYS HA H -5.537 1.173 2.329 1.00 . A A . 17 LYS HA 1 1 4 1645 1 1 18 LYS HB2 H -6.535 2.172 0.470 1.00 . A A . 17 LYS HB2 1 1 4 1646 1 1 18 LYS HB3 H -5.303 3.335 0.940 1.00 . A A . 17 LYS HB3 1 1 4 1647 1 1 18 LYS HD2 H -5.524 2.748 -2.844 1.00 . A A . 17 LYS HD2 1 1 4 1648 1 1 18 LYS HD3 H -6.762 2.981 -1.607 1.00 . A A . 17 LYS HD3 1 1 4 1649 1 1 18 LYS HE2 H -4.292 4.690 -1.836 1.00 . A A . 17 LYS HE2 1 1 4 1650 1 1 18 LYS HE3 H -5.824 5.089 -2.612 1.00 . A A . 17 LYS HE3 1 1 4 1651 1 1 18 LYS HG2 H -3.883 2.689 -0.839 1.00 . A A . 17 LYS HG2 1 1 4 1652 1 1 18 LYS HG3 H -4.862 1.263 -1.192 1.00 . A A . 17 LYS HG3 1 1 4 1653 1 1 18 LYS HZ1 H -6.581 4.620 -0.077 1.00 . A A . 17 LYS HZ1 1 1 4 1654 1 1 18 LYS HZ2 H -6.235 6.152 -0.704 1.00 . A A . 17 LYS HZ2 1 1 4 1655 1 1 18 LYS HZ3 H -5.053 5.306 0.161 1.00 . A A . 17 LYS HZ3 1 1 4 1656 1 1 18 LYS N N -3.596 1.806 2.025 1.00 . A A . 17 LYS N 1 1 4 1657 1 1 18 LYS NZ N -5.842 5.210 -0.510 1.00 . A A . 17 LYS NZ 1 1 4 1658 1 1 18 LYS O O -3.647 -0.274 0.158 1.00 . A A . 17 LYS O 1 1 4 1659 1 1 19 PRO C C -5.744 -2.107 -1.301 1.00 . A A . 18 PRO C 1 1 4 1660 1 1 19 PRO CA C -5.674 -2.198 0.220 1.00 . A A . 18 PRO CA 1 1 4 1661 1 1 19 PRO CB C -6.925 -2.885 0.771 1.00 . A A . 18 PRO CB 1 1 4 1662 1 1 19 PRO CD C -6.961 -0.636 1.579 1.00 . A A . 18 PRO CD 1 1 4 1663 1 1 19 PRO CG C -7.843 -1.768 1.131 1.00 . A A . 18 PRO CG 1 1 4 1664 1 1 19 PRO HA H -4.797 -2.760 0.505 1.00 . A A . 18 PRO HA 1 1 4 1665 1 1 19 PRO HB2 H -7.355 -3.522 0.010 1.00 . A A . 18 PRO HB2 1 1 4 1666 1 1 19 PRO HB3 H -6.665 -3.476 1.637 1.00 . A A . 18 PRO HB3 1 1 4 1667 1 1 19 PRO HD2 H -7.392 0.312 1.294 1.00 . A A . 18 PRO HD2 1 1 4 1668 1 1 19 PRO HD3 H -6.808 -0.677 2.648 1.00 . A A . 18 PRO HD3 1 1 4 1669 1 1 19 PRO HG2 H -8.421 -1.475 0.268 1.00 . A A . 18 PRO HG2 1 1 4 1670 1 1 19 PRO HG3 H -8.497 -2.075 1.935 1.00 . A A . 18 PRO HG3 1 1 4 1671 1 1 19 PRO N N -5.701 -0.879 0.859 1.00 . A A . 18 PRO N 1 1 4 1672 1 1 19 PRO O O -5.559 -3.103 -2.000 1.00 . A A . 18 PRO O 1 1 4 1673 1 1 20 GLU C C -4.734 -0.374 -3.838 1.00 . A A . 19 GLU C 1 1 4 1674 1 1 20 GLU CA C -6.104 -0.687 -3.245 1.00 . A A . 19 GLU CA 1 1 4 1675 1 1 20 GLU CB C -7.077 0.455 -3.547 1.00 . A A . 19 GLU CB 1 1 4 1676 1 1 20 GLU CD C -6.924 0.192 -6.054 1.00 . A A . 19 GLU CD 1 1 4 1677 1 1 20 GLU CG C -6.814 1.141 -4.877 1.00 . A A . 19 GLU CG 1 1 4 1678 1 1 20 GLU H H -6.148 -0.151 -1.198 1.00 . A A . 19 GLU H 1 1 4 1679 1 1 20 GLU HA H -6.479 -1.595 -3.695 1.00 . A A . 19 GLU HA 1 1 4 1680 1 1 20 GLU HB2 H -8.083 0.062 -3.560 1.00 . A A . 19 GLU HB2 1 1 4 1681 1 1 20 GLU HB3 H -6.998 1.194 -2.763 1.00 . A A . 19 GLU HB3 1 1 4 1682 1 1 20 GLU HG2 H -7.535 1.935 -5.006 1.00 . A A . 19 GLU HG2 1 1 4 1683 1 1 20 GLU HG3 H -5.819 1.559 -4.862 1.00 . A A . 19 GLU HG3 1 1 4 1684 1 1 20 GLU N N -6.010 -0.907 -1.806 1.00 . A A . 19 GLU N 1 1 4 1685 1 1 20 GLU O O -4.579 -0.284 -5.055 1.00 . A A . 19 GLU O 1 1 4 1686 1 1 20 GLU OE1 O -6.761 -1.029 -5.850 1.00 . A A . 19 GLU OE1 1 1 4 1687 1 1 20 GLU OE2 O -7.174 0.672 -7.181 1.00 . A A . 19 GLU OE2 1 1 4 1688 1 1 21 ALA C C -1.602 -1.185 -3.684 1.00 . A A . 20 ALA C 1 1 4 1689 1 1 21 ALA CA C -2.385 0.093 -3.404 1.00 . A A . 20 ALA CA 1 1 4 1690 1 1 21 ALA CB C -1.669 0.935 -2.359 1.00 . A A . 20 ALA CB 1 1 4 1691 1 1 21 ALA H H -3.929 -0.293 -2.010 1.00 . A A . 20 ALA H 1 1 4 1692 1 1 21 ALA HA H -2.448 0.671 -4.315 1.00 . A A . 20 ALA HA 1 1 4 1693 1 1 21 ALA HB1 H -1.646 0.400 -1.421 1.00 . A A . 20 ALA HB1 1 1 4 1694 1 1 21 ALA HB2 H -0.660 1.133 -2.686 1.00 . A A . 20 ALA HB2 1 1 4 1695 1 1 21 ALA HB3 H -2.196 1.869 -2.227 1.00 . A A . 20 ALA HB3 1 1 4 1696 1 1 21 ALA N N -3.743 -0.208 -2.968 1.00 . A A . 20 ALA N 1 1 4 1697 1 1 21 ALA O O -2.067 -2.286 -3.389 1.00 . A A . 20 ALA O 1 1 4 1698 1 1 22 ILE C C 1.685 -2.192 -3.699 1.00 . A A . 21 ILE C 1 1 4 1699 1 1 22 ILE CA C 0.435 -2.173 -4.574 1.00 . A A . 21 ILE CA 1 1 4 1700 1 1 22 ILE CB C 0.859 -2.164 -6.054 1.00 . A A . 21 ILE CB 1 1 4 1701 1 1 22 ILE CD1 C -0.980 -0.795 -7.161 1.00 . A A . 21 ILE CD1 1 1 4 1702 1 1 22 ILE CG1 C -0.373 -2.167 -6.961 1.00 . A A . 21 ILE CG1 1 1 4 1703 1 1 22 ILE CG2 C 1.750 -3.359 -6.359 1.00 . A A . 21 ILE CG2 1 1 4 1704 1 1 22 ILE H H -0.096 -0.127 -4.466 1.00 . A A . 21 ILE H 1 1 4 1705 1 1 22 ILE HA H -0.133 -3.072 -4.389 1.00 . A A . 21 ILE HA 1 1 4 1706 1 1 22 ILE HB H 1.429 -1.265 -6.238 1.00 . A A . 21 ILE HB 1 1 4 1707 1 1 22 ILE HD11 H -1.512 -0.503 -6.267 1.00 . A A . 21 ILE HD11 1 1 4 1708 1 1 22 ILE HD12 H -0.196 -0.082 -7.366 1.00 . A A . 21 ILE HD12 1 1 4 1709 1 1 22 ILE HD13 H -1.667 -0.825 -7.995 1.00 . A A . 21 ILE HD13 1 1 4 1710 1 1 22 ILE HG12 H -0.099 -2.552 -7.929 1.00 . A A . 21 ILE HG12 1 1 4 1711 1 1 22 ILE HG13 H -1.129 -2.805 -6.525 1.00 . A A . 21 ILE HG13 1 1 4 1712 1 1 22 ILE HG21 H 2.615 -3.338 -5.713 1.00 . A A . 21 ILE HG21 1 1 4 1713 1 1 22 ILE HG22 H 1.198 -4.271 -6.187 1.00 . A A . 21 ILE HG22 1 1 4 1714 1 1 22 ILE HG23 H 2.068 -3.320 -7.389 1.00 . A A . 21 ILE HG23 1 1 4 1715 1 1 22 ILE N N -0.412 -1.031 -4.255 1.00 . A A . 21 ILE N 1 1 4 1716 1 1 22 ILE O O 2.323 -3.231 -3.532 1.00 . A A . 21 ILE O 1 1 4 1717 1 1 23 LYS C C 2.955 0.096 -1.167 1.00 . A A . 22 LYS C 1 1 4 1718 1 1 23 LYS CA C 3.198 -0.918 -2.281 1.00 . A A . 22 LYS CA 1 1 4 1719 1 1 23 LYS CB C 4.421 -0.506 -3.102 1.00 . A A . 22 LYS CB 1 1 4 1720 1 1 23 LYS CD C 5.380 1.020 -4.852 1.00 . A A . 22 LYS CD 1 1 4 1721 1 1 23 LYS CE C 5.403 0.046 -6.020 1.00 . A A . 22 LYS CE 1 1 4 1722 1 1 23 LYS CG C 4.205 0.751 -3.926 1.00 . A A . 22 LYS CG 1 1 4 1723 1 1 23 LYS H H 1.477 -0.241 -3.312 1.00 . A A . 22 LYS H 1 1 4 1724 1 1 23 LYS HA H 3.382 -1.885 -1.836 1.00 . A A . 22 LYS HA 1 1 4 1725 1 1 23 LYS HB2 H 5.250 -0.334 -2.430 1.00 . A A . 22 LYS HB2 1 1 4 1726 1 1 23 LYS HB3 H 4.676 -1.312 -3.775 1.00 . A A . 22 LYS HB3 1 1 4 1727 1 1 23 LYS HD2 H 5.301 2.026 -5.238 1.00 . A A . 22 LYS HD2 1 1 4 1728 1 1 23 LYS HD3 H 6.299 0.919 -4.292 1.00 . A A . 22 LYS HD3 1 1 4 1729 1 1 23 LYS HE2 H 6.339 0.156 -6.545 1.00 . A A . 22 LYS HE2 1 1 4 1730 1 1 23 LYS HE3 H 5.323 -0.959 -5.634 1.00 . A A . 22 LYS HE3 1 1 4 1731 1 1 23 LYS HG2 H 3.313 0.633 -4.520 1.00 . A A . 22 LYS HG2 1 1 4 1732 1 1 23 LYS HG3 H 4.087 1.593 -3.257 1.00 . A A . 22 LYS HG3 1 1 4 1733 1 1 23 LYS HZ1 H 3.614 0.978 -6.562 1.00 . A A . 22 LYS HZ1 1 1 4 1734 1 1 23 LYS HZ2 H 3.776 -0.595 -7.163 1.00 . A A . 22 LYS HZ2 1 1 4 1735 1 1 23 LYS HZ3 H 4.650 0.672 -7.865 1.00 . A A . 22 LYS HZ3 1 1 4 1736 1 1 23 LYS N N 2.027 -1.035 -3.141 1.00 . A A . 22 LYS N 1 1 4 1737 1 1 23 LYS NZ N 4.283 0.293 -6.969 1.00 . A A . 22 LYS NZ 1 1 4 1738 1 1 23 LYS O O 1.883 0.698 -1.084 1.00 . A A . 22 LYS O 1 1 4 1739 1 1 24 CYS C C 3.865 2.665 0.286 1.00 . A A . 23 CYS C 1 1 4 1740 1 1 24 CYS CA C 3.853 1.226 0.793 1.00 . A A . 23 CYS CA 1 1 4 1741 1 1 24 CYS CB C 5.002 1.012 1.781 1.00 . A A . 23 CYS CB 1 1 4 1742 1 1 24 CYS H H 4.787 -0.225 -0.433 1.00 . A A . 23 CYS H 1 1 4 1743 1 1 24 CYS HA H 2.917 1.044 1.298 1.00 . A A . 23 CYS HA 1 1 4 1744 1 1 24 CYS HB2 H 5.283 -0.031 1.774 1.00 . A A . 23 CYS HB2 1 1 4 1745 1 1 24 CYS HB3 H 5.847 1.609 1.474 1.00 . A A . 23 CYS HB3 1 1 4 1746 1 1 24 CYS N N 3.957 0.283 -0.314 1.00 . A A . 23 CYS N 1 1 4 1747 1 1 24 CYS O O 4.360 2.946 -0.806 1.00 . A A . 23 CYS O 1 1 4 1748 1 1 24 CYS SG S 4.598 1.463 3.499 1.00 . A A . 23 CYS SG 1 1 4 1749 1 1 25 VAL C C 4.268 5.799 1.533 1.00 . A A . 24 VAL C 1 1 4 1750 1 1 25 VAL CA C 3.267 4.984 0.721 1.00 . A A . 24 VAL CA 1 1 4 1751 1 1 25 VAL CB C 1.857 5.568 0.929 1.00 . A A . 24 VAL CB 1 1 4 1752 1 1 25 VAL CG1 C 1.487 5.558 2.404 1.00 . A A . 24 VAL CG1 1 1 4 1753 1 1 25 VAL CG2 C 1.773 6.975 0.358 1.00 . A A . 24 VAL CG2 1 1 4 1754 1 1 25 VAL H H 2.941 3.289 1.945 1.00 . A A . 24 VAL H 1 1 4 1755 1 1 25 VAL HA H 3.517 5.066 -0.327 1.00 . A A . 24 VAL HA 1 1 4 1756 1 1 25 VAL HB H 1.151 4.944 0.400 1.00 . A A . 24 VAL HB 1 1 4 1757 1 1 25 VAL HG11 H 1.339 4.539 2.731 1.00 . A A . 24 VAL HG11 1 1 4 1758 1 1 25 VAL HG12 H 2.284 6.009 2.977 1.00 . A A . 24 VAL HG12 1 1 4 1759 1 1 25 VAL HG13 H 0.576 6.118 2.550 1.00 . A A . 24 VAL HG13 1 1 4 1760 1 1 25 VAL HG21 H 2.702 7.218 -0.137 1.00 . A A . 24 VAL HG21 1 1 4 1761 1 1 25 VAL HG22 H 0.962 7.028 -0.353 1.00 . A A . 24 VAL HG22 1 1 4 1762 1 1 25 VAL HG23 H 1.596 7.678 1.158 1.00 . A A . 24 VAL HG23 1 1 4 1763 1 1 25 VAL N N 3.318 3.574 1.086 1.00 . A A . 24 VAL N 1 1 4 1764 1 1 25 VAL O O 4.171 7.024 1.607 1.00 . A A . 24 VAL O 1 1 4 1765 1 1 26 ALA C C 7.640 5.248 2.607 1.00 . A A . 25 ALA C 1 1 4 1766 1 1 26 ALA CA C 6.247 5.772 2.946 1.00 . A A . 25 ALA CA 1 1 4 1767 1 1 26 ALA CB C 5.957 5.581 4.427 1.00 . A A . 25 ALA CB 1 1 4 1768 1 1 26 ALA H H 5.252 4.137 2.044 1.00 . A A . 25 ALA H 1 1 4 1769 1 1 26 ALA HA H 6.210 6.829 2.730 1.00 . A A . 25 ALA HA 1 1 4 1770 1 1 26 ALA HB1 H 5.310 6.375 4.771 1.00 . A A . 25 ALA HB1 1 1 4 1771 1 1 26 ALA HB2 H 5.471 4.629 4.578 1.00 . A A . 25 ALA HB2 1 1 4 1772 1 1 26 ALA HB3 H 6.882 5.606 4.982 1.00 . A A . 25 ALA HB3 1 1 4 1773 1 1 26 ALA N N 5.228 5.112 2.141 1.00 . A A . 25 ALA N 1 1 4 1774 1 1 26 ALA O O 8.582 6.023 2.441 1.00 . A A . 25 ALA O 1 1 4 1775 1 1 27 CYS C C 9.009 2.684 0.793 1.00 . A A . 26 CYS C 1 1 4 1776 1 1 27 CYS CA C 9.038 3.300 2.188 1.00 . A A . 26 CYS CA 1 1 4 1777 1 1 27 CYS CB C 9.374 2.226 3.225 1.00 . A A . 26 CYS CB 1 1 4 1778 1 1 27 CYS H H 6.973 3.362 2.650 1.00 . A A . 26 CYS H 1 1 4 1779 1 1 27 CYS HA H 9.800 4.064 2.215 1.00 . A A . 26 CYS HA 1 1 4 1780 1 1 27 CYS HB2 H 10.421 1.972 3.143 1.00 . A A . 26 CYS HB2 1 1 4 1781 1 1 27 CYS HB3 H 9.181 2.617 4.213 1.00 . A A . 26 CYS HB3 1 1 4 1782 1 1 27 CYS N N 7.762 3.929 2.507 1.00 . A A . 26 CYS N 1 1 4 1783 1 1 27 CYS O O 10.047 2.313 0.246 1.00 . A A . 26 CYS O 1 1 4 1784 1 1 27 CYS SG S 8.416 0.688 3.039 1.00 . A A . 26 CYS SG 1 1 4 1785 1 1 28 GLU C C 7.943 0.510 -1.097 1.00 . A A . 27 GLU C 1 1 4 1786 1 1 28 GLU CA C 7.647 2.007 -1.108 1.00 . A A . 27 GLU CA 1 1 4 1787 1 1 28 GLU CB C 8.567 2.713 -2.107 1.00 . A A . 27 GLU CB 1 1 4 1788 1 1 28 GLU CD C 9.947 4.815 -2.342 1.00 . A A . 27 GLU CD 1 1 4 1789 1 1 28 GLU CG C 8.614 4.221 -1.931 1.00 . A A . 27 GLU CG 1 1 4 1790 1 1 28 GLU H H 7.021 2.892 0.711 1.00 . A A . 27 GLU H 1 1 4 1791 1 1 28 GLU HA H 6.621 2.157 -1.409 1.00 . A A . 27 GLU HA 1 1 4 1792 1 1 28 GLU HB2 H 9.569 2.325 -1.992 1.00 . A A . 27 GLU HB2 1 1 4 1793 1 1 28 GLU HB3 H 8.221 2.499 -3.108 1.00 . A A . 27 GLU HB3 1 1 4 1794 1 1 28 GLU HG2 H 7.837 4.665 -2.534 1.00 . A A . 27 GLU HG2 1 1 4 1795 1 1 28 GLU HG3 H 8.438 4.454 -0.890 1.00 . A A . 27 GLU HG3 1 1 4 1796 1 1 28 GLU N N 7.812 2.578 0.224 1.00 . A A . 27 GLU N 1 1 4 1797 1 1 28 GLU O O 8.670 0.002 -1.951 1.00 . A A . 27 GLU O 1 1 4 1798 1 1 28 GLU OE1 O 10.959 4.085 -2.298 1.00 . A A . 27 GLU OE1 1 1 4 1799 1 1 28 GLU OE2 O 9.977 6.008 -2.709 1.00 . A A . 27 GLU OE2 1 1 4 1800 1 1 29 THR C C 6.544 -2.404 -0.811 1.00 . A A . 28 THR C 1 1 4 1801 1 1 29 THR CA C 7.576 -1.631 0.002 1.00 . A A . 28 THR CA 1 1 4 1802 1 1 29 THR CB C 7.500 -2.084 1.471 1.00 . A A . 28 THR CB 1 1 4 1803 1 1 29 THR CG2 C 6.647 -3.335 1.609 1.00 . A A . 28 THR CG2 1 1 4 1804 1 1 29 THR H H 6.804 0.268 0.528 1.00 . A A . 28 THR H 1 1 4 1805 1 1 29 THR HA H 8.563 -1.862 -0.374 1.00 . A A . 28 THR HA 1 1 4 1806 1 1 29 THR HB H 7.050 -1.293 2.053 1.00 . A A . 28 THR HB 1 1 4 1807 1 1 29 THR HG1 H 8.754 -2.762 2.835 1.00 . A A . 28 THR HG1 1 1 4 1808 1 1 29 THR HG21 H 6.791 -3.765 2.588 1.00 . A A . 28 THR HG21 1 1 4 1809 1 1 29 THR HG22 H 6.935 -4.052 0.855 1.00 . A A . 28 THR HG22 1 1 4 1810 1 1 29 THR HG23 H 5.606 -3.076 1.480 1.00 . A A . 28 THR HG23 1 1 4 1811 1 1 29 THR N N 7.373 -0.193 -0.122 1.00 . A A . 28 THR N 1 1 4 1812 1 1 29 THR O O 5.388 -1.999 -0.937 1.00 . A A . 28 THR O 1 1 4 1813 1 1 29 THR OG1 O 8.816 -2.342 1.973 1.00 . A A . 28 THR OG1 1 1 4 1814 1 1 30 PRO C C 5.027 -5.096 -1.347 1.00 . A A . 29 PRO C 1 1 4 1815 1 1 30 PRO CA C 6.095 -4.400 -2.185 1.00 . A A . 29 PRO CA 1 1 4 1816 1 1 30 PRO CB C 7.059 -5.427 -2.784 1.00 . A A . 29 PRO CB 1 1 4 1817 1 1 30 PRO CD C 8.333 -4.088 -1.268 1.00 . A A . 29 PRO CD 1 1 4 1818 1 1 30 PRO CG C 8.201 -5.477 -1.828 1.00 . A A . 29 PRO CG 1 1 4 1819 1 1 30 PRO HA H 5.620 -3.843 -2.979 1.00 . A A . 29 PRO HA 1 1 4 1820 1 1 30 PRO HB2 H 6.565 -6.385 -2.861 1.00 . A A . 29 PRO HB2 1 1 4 1821 1 1 30 PRO HB3 H 7.378 -5.098 -3.761 1.00 . A A . 29 PRO HB3 1 1 4 1822 1 1 30 PRO HD2 H 8.652 -4.125 -0.236 1.00 . A A . 29 PRO HD2 1 1 4 1823 1 1 30 PRO HD3 H 9.026 -3.507 -1.858 1.00 . A A . 29 PRO HD3 1 1 4 1824 1 1 30 PRO HG2 H 7.987 -6.181 -1.038 1.00 . A A . 29 PRO HG2 1 1 4 1825 1 1 30 PRO HG3 H 9.103 -5.758 -2.349 1.00 . A A . 29 PRO HG3 1 1 4 1826 1 1 30 PRO N N 6.968 -3.544 -1.376 1.00 . A A . 29 PRO N 1 1 4 1827 1 1 30 PRO O O 5.338 -5.926 -0.493 1.00 . A A . 29 PRO O 1 1 4 1828 1 1 31 LYS C C 2.654 -6.866 -1.016 1.00 . A A . 30 LYS C 1 1 4 1829 1 1 31 LYS CA C 2.654 -5.348 -0.869 1.00 . A A . 30 LYS CA 1 1 4 1830 1 1 31 LYS CB C 1.326 -4.776 -1.373 1.00 . A A . 30 LYS CB 1 1 4 1831 1 1 31 LYS CD C -1.056 -5.451 -1.795 1.00 . A A . 30 LYS CD 1 1 4 1832 1 1 31 LYS CE C -2.046 -4.354 -1.437 1.00 . A A . 30 LYS CE 1 1 4 1833 1 1 31 LYS CG C 0.107 -5.491 -0.818 1.00 . A A . 30 LYS CG 1 1 4 1834 1 1 31 LYS H H 3.584 -4.086 -2.293 1.00 . A A . 30 LYS H 1 1 4 1835 1 1 31 LYS HA H 2.770 -5.098 0.175 1.00 . A A . 30 LYS HA 1 1 4 1836 1 1 31 LYS HB2 H 1.266 -3.736 -1.092 1.00 . A A . 30 LYS HB2 1 1 4 1837 1 1 31 LYS HB3 H 1.302 -4.851 -2.451 1.00 . A A . 30 LYS HB3 1 1 4 1838 1 1 31 LYS HD2 H -0.675 -5.266 -2.788 1.00 . A A . 30 LYS HD2 1 1 4 1839 1 1 31 LYS HD3 H -1.566 -6.404 -1.775 1.00 . A A . 30 LYS HD3 1 1 4 1840 1 1 31 LYS HE2 H -2.346 -4.479 -0.408 1.00 . A A . 30 LYS HE2 1 1 4 1841 1 1 31 LYS HE3 H -1.562 -3.396 -1.557 1.00 . A A . 30 LYS HE3 1 1 4 1842 1 1 31 LYS HG2 H 0.363 -6.522 -0.623 1.00 . A A . 30 LYS HG2 1 1 4 1843 1 1 31 LYS HG3 H -0.192 -5.013 0.103 1.00 . A A . 30 LYS HG3 1 1 4 1844 1 1 31 LYS HZ1 H -3.571 -3.430 -2.525 1.00 . A A . 30 LYS HZ1 1 1 4 1845 1 1 31 LYS HZ2 H -4.029 -4.894 -1.814 1.00 . A A . 30 LYS HZ2 1 1 4 1846 1 1 31 LYS HZ3 H -3.046 -4.893 -3.191 1.00 . A A . 30 LYS HZ3 1 1 4 1847 1 1 31 LYS N N 3.768 -4.754 -1.599 1.00 . A A . 30 LYS N 1 1 4 1848 1 1 31 LYS NZ N -3.258 -4.396 -2.302 1.00 . A A . 30 LYS NZ 1 1 4 1849 1 1 31 LYS O O 2.976 -7.411 -2.072 1.00 . A A . 30 LYS O 1 1 4 1850 1 1 32 PRO C C 1.102 -9.579 -0.779 1.00 . A A . 31 PRO C 1 1 4 1851 1 1 32 PRO CA C 2.233 -9.030 0.083 1.00 . A A . 31 PRO CA 1 1 4 1852 1 1 32 PRO CB C 1.990 -9.361 1.557 1.00 . A A . 31 PRO CB 1 1 4 1853 1 1 32 PRO CD C 1.889 -6.981 1.359 1.00 . A A . 31 PRO CD 1 1 4 1854 1 1 32 PRO CG C 1.319 -8.152 2.111 1.00 . A A . 31 PRO CG 1 1 4 1855 1 1 32 PRO HA H 3.169 -9.465 -0.236 1.00 . A A . 31 PRO HA 1 1 4 1856 1 1 32 PRO HB2 H 1.358 -10.234 1.634 1.00 . A A . 31 PRO HB2 1 1 4 1857 1 1 32 PRO HB3 H 2.933 -9.548 2.049 1.00 . A A . 31 PRO HB3 1 1 4 1858 1 1 32 PRO HD2 H 1.137 -6.217 1.223 1.00 . A A . 31 PRO HD2 1 1 4 1859 1 1 32 PRO HD3 H 2.746 -6.580 1.879 1.00 . A A . 31 PRO HD3 1 1 4 1860 1 1 32 PRO HG2 H 0.254 -8.217 1.951 1.00 . A A . 31 PRO HG2 1 1 4 1861 1 1 32 PRO HG3 H 1.537 -8.062 3.165 1.00 . A A . 31 PRO HG3 1 1 4 1862 1 1 32 PRO N N 2.285 -7.566 0.067 1.00 . A A . 31 PRO N 1 1 4 1863 1 1 32 PRO O O 0.365 -10.451 -0.321 1.00 . A A . 31 PRO O 1 1 4 1864 2 2 1 ZN ZN ZN 6.613 0.796 4.622 1.00 . B A . 32 ZN ZN 1 1 5 1865 1 1 2 HIS C C -14.457 3.395 8.845 1.00 . A A . 1 HIS C 1 1 5 1866 1 1 2 HIS CA C -13.514 4.282 9.653 1.00 . A A . 1 HIS CA 1 1 5 1867 1 1 2 HIS CB C -12.240 3.512 9.997 1.00 . A A . 1 HIS CB 1 1 5 1868 1 1 2 HIS CD2 C -10.407 5.341 9.852 1.00 . A A . 1 HIS CD2 1 1 5 1869 1 1 2 HIS CE1 C -9.660 5.209 11.909 1.00 . A A . 1 HIS CE1 1 1 5 1870 1 1 2 HIS CG C -11.125 4.384 10.486 1.00 . A A . 1 HIS CG 1 1 5 1871 1 1 2 HIS H H -13.891 4.385 11.733 1.00 . A A . 1 HIS H 1 1 5 1872 1 1 2 HIS HA H -13.254 5.145 9.057 1.00 . A A . 1 HIS HA 1 1 5 1873 1 1 2 HIS HB2 H -12.460 2.792 10.771 1.00 . A A . 1 HIS HB2 1 1 5 1874 1 1 2 HIS HB3 H -11.892 2.991 9.116 1.00 . A A . 1 HIS HB3 1 1 5 1875 1 1 2 HIS HD1 H -10.950 3.727 12.480 1.00 . A A . 1 HIS HD1 1 1 5 1876 1 1 2 HIS HD2 H -10.522 5.655 8.824 1.00 . A A . 1 HIS HD2 1 1 5 1877 1 1 2 HIS HE1 H -9.089 5.387 12.808 1.00 . A A . 1 HIS HE1 1 1 5 1878 1 1 2 HIS N N -14.163 4.758 10.869 1.00 . A A . 1 HIS N 1 1 5 1879 1 1 2 HIS ND1 N -10.632 4.326 11.772 1.00 . A A . 1 HIS ND1 1 1 5 1880 1 1 2 HIS NE2 N -9.502 5.838 10.758 1.00 . A A . 1 HIS NE2 1 1 5 1881 1 1 2 HIS O O -15.212 2.601 9.407 1.00 . A A . 1 HIS O 1 1 5 1882 1 1 3 MET C C -14.459 1.637 5.967 1.00 . A A . 2 MET C 1 1 5 1883 1 1 3 MET CA C -15.260 2.747 6.640 1.00 . A A . 2 MET CA 1 1 5 1884 1 1 3 MET CB C -15.903 3.644 5.581 1.00 . A A . 2 MET CB 1 1 5 1885 1 1 3 MET CE C -17.606 6.388 4.279 1.00 . A A . 2 MET CE 1 1 5 1886 1 1 3 MET CG C -17.206 4.281 6.034 1.00 . A A . 2 MET CG 1 1 5 1887 1 1 3 MET H H -13.788 4.186 7.135 1.00 . A A . 2 MET H 1 1 5 1888 1 1 3 MET HA H -16.037 2.300 7.241 1.00 . A A . 2 MET HA 1 1 5 1889 1 1 3 MET HB2 H -15.210 4.433 5.327 1.00 . A A . 2 MET HB2 1 1 5 1890 1 1 3 MET HB3 H -16.103 3.054 4.700 1.00 . A A . 2 MET HB3 1 1 5 1891 1 1 3 MET HE1 H -18.053 7.116 4.939 1.00 . A A . 2 MET HE1 1 1 5 1892 1 1 3 MET HE2 H -16.536 6.385 4.417 1.00 . A A . 2 MET HE2 1 1 5 1893 1 1 3 MET HE3 H -17.838 6.641 3.253 1.00 . A A . 2 MET HE3 1 1 5 1894 1 1 3 MET HG2 H -17.744 3.573 6.648 1.00 . A A . 2 MET HG2 1 1 5 1895 1 1 3 MET HG3 H -16.977 5.160 6.618 1.00 . A A . 2 MET HG3 1 1 5 1896 1 1 3 MET N N -14.409 3.537 7.525 1.00 . A A . 2 MET N 1 1 5 1897 1 1 3 MET O O -14.923 0.501 5.859 1.00 . A A . 2 MET O 1 1 5 1898 1 1 3 MET SD S -18.260 4.763 4.653 1.00 . A A . 2 MET SD 1 1 5 1899 1 1 4 VAL C C -11.352 0.444 5.814 1.00 . A A . 3 VAL C 1 1 5 1900 1 1 4 VAL CA C -12.392 1.003 4.849 1.00 . A A . 3 VAL CA 1 1 5 1901 1 1 4 VAL CB C -11.671 1.629 3.640 1.00 . A A . 3 VAL CB 1 1 5 1902 1 1 4 VAL CG1 C -10.805 0.593 2.940 1.00 . A A . 3 VAL CG1 1 1 5 1903 1 1 4 VAL CG2 C -12.679 2.235 2.675 1.00 . A A . 3 VAL CG2 1 1 5 1904 1 1 4 VAL H H -12.942 2.893 5.627 1.00 . A A . 3 VAL H 1 1 5 1905 1 1 4 VAL HA H -13.011 0.193 4.493 1.00 . A A . 3 VAL HA 1 1 5 1906 1 1 4 VAL HB H -11.028 2.419 4.000 1.00 . A A . 3 VAL HB 1 1 5 1907 1 1 4 VAL HG11 H -10.524 -0.176 3.644 1.00 . A A . 3 VAL HG11 1 1 5 1908 1 1 4 VAL HG12 H -11.359 0.151 2.125 1.00 . A A . 3 VAL HG12 1 1 5 1909 1 1 4 VAL HG13 H -9.915 1.069 2.555 1.00 . A A . 3 VAL HG13 1 1 5 1910 1 1 4 VAL HG21 H -12.437 1.932 1.667 1.00 . A A . 3 VAL HG21 1 1 5 1911 1 1 4 VAL HG22 H -13.671 1.889 2.926 1.00 . A A . 3 VAL HG22 1 1 5 1912 1 1 4 VAL HG23 H -12.643 3.312 2.746 1.00 . A A . 3 VAL HG23 1 1 5 1913 1 1 4 VAL N N -13.256 1.972 5.512 1.00 . A A . 3 VAL N 1 1 5 1914 1 1 4 VAL O O -10.223 0.932 5.876 1.00 . A A . 3 VAL O 1 1 5 1915 1 1 5 ILE C C -10.058 -2.349 6.881 1.00 . A A . 4 ILE C 1 1 5 1916 1 1 5 ILE CA C -10.840 -1.209 7.523 1.00 . A A . 4 ILE CA 1 1 5 1917 1 1 5 ILE CB C -11.608 -1.752 8.743 1.00 . A A . 4 ILE CB 1 1 5 1918 1 1 5 ILE CD1 C -13.359 -3.540 9.207 1.00 . A A . 4 ILE CD1 1 1 5 1919 1 1 5 ILE CG1 C -12.912 -2.417 8.297 1.00 . A A . 4 ILE CG1 1 1 5 1920 1 1 5 ILE CG2 C -11.890 -0.632 9.733 1.00 . A A . 4 ILE CG2 1 1 5 1921 1 1 5 ILE H H -12.652 -0.926 6.467 1.00 . A A . 4 ILE H 1 1 5 1922 1 1 5 ILE HA H -10.143 -0.458 7.867 1.00 . A A . 4 ILE HA 1 1 5 1923 1 1 5 ILE HB H -10.987 -2.486 9.234 1.00 . A A . 4 ILE HB 1 1 5 1924 1 1 5 ILE HD11 H -13.807 -4.326 8.617 1.00 . A A . 4 ILE HD11 1 1 5 1925 1 1 5 ILE HD12 H -12.508 -3.931 9.743 1.00 . A A . 4 ILE HD12 1 1 5 1926 1 1 5 ILE HD13 H -14.085 -3.163 9.913 1.00 . A A . 4 ILE HD13 1 1 5 1927 1 1 5 ILE HG12 H -13.697 -1.677 8.273 1.00 . A A . 4 ILE HG12 1 1 5 1928 1 1 5 ILE HG13 H -12.778 -2.826 7.306 1.00 . A A . 4 ILE HG13 1 1 5 1929 1 1 5 ILE HG21 H -12.286 -1.051 10.646 1.00 . A A . 4 ILE HG21 1 1 5 1930 1 1 5 ILE HG22 H -10.974 -0.103 9.948 1.00 . A A . 4 ILE HG22 1 1 5 1931 1 1 5 ILE HG23 H -12.610 0.052 9.308 1.00 . A A . 4 ILE HG23 1 1 5 1932 1 1 5 ILE N N -11.740 -0.582 6.563 1.00 . A A . 4 ILE N 1 1 5 1933 1 1 5 ILE O O -10.036 -3.468 7.394 1.00 . A A . 4 ILE O 1 1 5 1934 1 1 6 GLY C C -7.171 -2.701 4.955 1.00 . A A . 5 GLY C 1 1 5 1935 1 1 6 GLY CA C -8.638 -3.068 5.060 1.00 . A A . 5 GLY CA 1 1 5 1936 1 1 6 GLY H H -9.468 -1.148 5.391 1.00 . A A . 5 GLY H 1 1 5 1937 1 1 6 GLY HA2 H -8.728 -4.003 5.592 1.00 . A A . 5 GLY HA2 1 1 5 1938 1 1 6 GLY HA3 H -9.038 -3.191 4.064 1.00 . A A . 5 GLY HA3 1 1 5 1939 1 1 6 GLY N N -9.415 -2.057 5.754 1.00 . A A . 5 GLY N 1 1 5 1940 1 1 6 GLY O O -6.321 -3.565 4.737 1.00 . A A . 5 GLY O 1 1 5 1941 1 1 7 THR C C -4.534 -1.913 5.690 1.00 . A A . 6 THR C 1 1 5 1942 1 1 7 THR CA C -5.497 -0.936 5.028 1.00 . A A . 6 THR CA 1 1 5 1943 1 1 7 THR CB C -5.345 0.447 5.690 1.00 . A A . 6 THR CB 1 1 5 1944 1 1 7 THR CG2 C -6.141 1.500 4.934 1.00 . A A . 6 THR CG2 1 1 5 1945 1 1 7 THR H H -7.593 -0.774 5.280 1.00 . A A . 6 THR H 1 1 5 1946 1 1 7 THR HA H -5.238 -0.841 3.983 1.00 . A A . 6 THR HA 1 1 5 1947 1 1 7 THR HB H -4.301 0.724 5.673 1.00 . A A . 6 THR HB 1 1 5 1948 1 1 7 THR HG1 H -5.852 -0.527 7.329 1.00 . A A . 6 THR HG1 1 1 5 1949 1 1 7 THR HG21 H -6.746 1.020 4.179 1.00 . A A . 6 THR HG21 1 1 5 1950 1 1 7 THR HG22 H -5.461 2.195 4.464 1.00 . A A . 6 THR HG22 1 1 5 1951 1 1 7 THR HG23 H -6.779 2.031 5.623 1.00 . A A . 6 THR HG23 1 1 5 1952 1 1 7 THR N N -6.871 -1.415 5.108 1.00 . A A . 6 THR N 1 1 5 1953 1 1 7 THR O O -4.825 -2.461 6.754 1.00 . A A . 6 THR O 1 1 5 1954 1 1 7 THR OG1 O -5.792 0.390 7.050 1.00 . A A . 6 THR OG1 1 1 5 1955 1 1 8 TRP C C -1.251 -2.269 6.265 1.00 . A A . 7 TRP C 1 1 5 1956 1 1 8 TRP CA C -2.379 -3.038 5.587 1.00 . A A . 7 TRP CA 1 1 5 1957 1 1 8 TRP CB C -1.814 -3.914 4.466 1.00 . A A . 7 TRP CB 1 1 5 1958 1 1 8 TRP CD1 C -2.511 -2.705 2.317 1.00 . A A . 7 TRP CD1 1 1 5 1959 1 1 8 TRP CD2 C -0.297 -2.785 2.653 1.00 . A A . 7 TRP CD2 1 1 5 1960 1 1 8 TRP CE2 C -0.545 -2.101 1.447 1.00 . A A . 7 TRP CE2 1 1 5 1961 1 1 8 TRP CE3 C 1.024 -2.957 3.071 1.00 . A A . 7 TRP CE3 1 1 5 1962 1 1 8 TRP CG C -1.569 -3.163 3.192 1.00 . A A . 7 TRP CG 1 1 5 1963 1 1 8 TRP CH2 C 1.767 -1.773 1.091 1.00 . A A . 7 TRP CH2 1 1 5 1964 1 1 8 TRP CZ2 C 0.482 -1.590 0.657 1.00 . A A . 7 TRP CZ2 1 1 5 1965 1 1 8 TRP CZ3 C 2.043 -2.451 2.286 1.00 . A A . 7 TRP CZ3 1 1 5 1966 1 1 8 TRP H H -3.212 -1.659 4.213 1.00 . A A . 7 TRP H 1 1 5 1967 1 1 8 TRP HA H -2.858 -3.671 6.319 1.00 . A A . 7 TRP HA 1 1 5 1968 1 1 8 TRP HB2 H -0.876 -4.339 4.789 1.00 . A A . 7 TRP HB2 1 1 5 1969 1 1 8 TRP HB3 H -2.514 -4.710 4.255 1.00 . A A . 7 TRP HB3 1 1 5 1970 1 1 8 TRP HD1 H -3.574 -2.836 2.444 1.00 . A A . 7 TRP HD1 1 1 5 1971 1 1 8 TRP HE1 H -2.365 -1.651 0.505 1.00 . A A . 7 TRP HE1 1 1 5 1972 1 1 8 TRP HE3 H 1.257 -3.476 3.989 1.00 . A A . 7 TRP HE3 1 1 5 1973 1 1 8 TRP HH2 H 2.594 -1.394 0.509 1.00 . A A . 7 TRP HH2 1 1 5 1974 1 1 8 TRP HZ2 H 0.286 -1.066 -0.267 1.00 . A A . 7 TRP HZ2 1 1 5 1975 1 1 8 TRP HZ3 H 3.071 -2.574 2.592 1.00 . A A . 7 TRP HZ3 1 1 5 1976 1 1 8 TRP N N -3.387 -2.126 5.057 1.00 . A A . 7 TRP N 1 1 5 1977 1 1 8 TRP NE1 N -1.902 -2.066 1.264 1.00 . A A . 7 TRP NE1 1 1 5 1978 1 1 8 TRP O O -0.805 -1.236 5.765 1.00 . A A . 7 TRP O 1 1 5 1979 1 1 9 ASP C C 1.643 -2.660 7.694 1.00 . A A . 8 ASP C 1 1 5 1980 1 1 9 ASP CA C 0.284 -2.138 8.149 1.00 . A A . 8 ASP CA 1 1 5 1981 1 1 9 ASP CB C 0.107 -2.379 9.649 1.00 . A A . 8 ASP CB 1 1 5 1982 1 1 9 ASP CG C -1.350 -2.375 10.069 1.00 . A A . 8 ASP CG 1 1 5 1983 1 1 9 ASP H H -1.191 -3.604 7.750 1.00 . A A . 8 ASP H 1 1 5 1984 1 1 9 ASP HA H 0.237 -1.077 7.956 1.00 . A A . 8 ASP HA 1 1 5 1985 1 1 9 ASP HB2 H 0.534 -3.338 9.906 1.00 . A A . 8 ASP HB2 1 1 5 1986 1 1 9 ASP HB3 H 0.622 -1.602 10.195 1.00 . A A . 8 ASP HB3 1 1 5 1987 1 1 9 ASP N N -0.794 -2.778 7.403 1.00 . A A . 8 ASP N 1 1 5 1988 1 1 9 ASP O O 1.802 -3.848 7.415 1.00 . A A . 8 ASP O 1 1 5 1989 1 1 9 ASP OD1 O -2.122 -3.201 9.537 1.00 . A A . 8 ASP OD1 1 1 5 1990 1 1 9 ASP OD2 O -1.717 -1.548 10.929 1.00 . A A . 8 ASP OD2 1 1 5 1991 1 1 10 CYS C C 4.737 -2.786 8.343 1.00 . A A . 9 CYS C 1 1 5 1992 1 1 10 CYS CA C 3.967 -2.132 7.199 1.00 . A A . 9 CYS CA 1 1 5 1993 1 1 10 CYS CB C 4.723 -0.898 6.700 1.00 . A A . 9 CYS CB 1 1 5 1994 1 1 10 CYS H H 2.433 -0.830 7.856 1.00 . A A . 9 CYS H 1 1 5 1995 1 1 10 CYS HA H 3.879 -2.840 6.389 1.00 . A A . 9 CYS HA 1 1 5 1996 1 1 10 CYS HB2 H 4.070 -0.317 6.066 1.00 . A A . 9 CYS HB2 1 1 5 1997 1 1 10 CYS HB3 H 5.018 -0.299 7.549 1.00 . A A . 9 CYS HB3 1 1 5 1998 1 1 10 CYS N N 2.621 -1.763 7.621 1.00 . A A . 9 CYS N 1 1 5 1999 1 1 10 CYS O O 4.486 -2.502 9.514 1.00 . A A . 9 CYS O 1 1 5 2000 1 1 10 CYS SG S 6.224 -1.283 5.744 1.00 . A A . 9 CYS SG 1 1 5 2001 1 1 11 ASP C C 7.951 -3.980 8.854 1.00 . A A . 10 ASP C 1 1 5 2002 1 1 11 ASP CA C 6.479 -4.355 8.991 1.00 . A A . 10 ASP CA 1 1 5 2003 1 1 11 ASP CB C 6.310 -5.869 8.851 1.00 . A A . 10 ASP CB 1 1 5 2004 1 1 11 ASP CG C 6.577 -6.604 10.150 1.00 . A A . 10 ASP CG 1 1 5 2005 1 1 11 ASP H H 5.824 -3.845 7.044 1.00 . A A . 10 ASP H 1 1 5 2006 1 1 11 ASP HA H 6.133 -4.052 9.967 1.00 . A A . 10 ASP HA 1 1 5 2007 1 1 11 ASP HB2 H 5.299 -6.085 8.538 1.00 . A A . 10 ASP HB2 1 1 5 2008 1 1 11 ASP HB3 H 7.000 -6.233 8.103 1.00 . A A . 10 ASP HB3 1 1 5 2009 1 1 11 ASP N N 5.672 -3.661 7.994 1.00 . A A . 10 ASP N 1 1 5 2010 1 1 11 ASP O O 8.830 -4.665 9.381 1.00 . A A . 10 ASP O 1 1 5 2011 1 1 11 ASP OD1 O 7.745 -6.623 10.593 1.00 . A A . 10 ASP OD1 1 1 5 2012 1 1 11 ASP OD2 O 5.618 -7.159 10.724 1.00 . A A . 10 ASP OD2 1 1 5 2013 1 1 12 THR C C 9.728 -0.957 8.324 1.00 . A A . 11 THR C 1 1 5 2014 1 1 12 THR CA C 9.581 -2.423 7.935 1.00 . A A . 11 THR CA 1 1 5 2015 1 1 12 THR CB C 10.018 -2.601 6.469 1.00 . A A . 11 THR CB 1 1 5 2016 1 1 12 THR CG2 C 11.205 -1.706 6.146 1.00 . A A . 11 THR CG2 1 1 5 2017 1 1 12 THR H H 7.473 -2.386 7.748 1.00 . A A . 11 THR H 1 1 5 2018 1 1 12 THR HA H 10.235 -3.018 8.558 1.00 . A A . 11 THR HA 1 1 5 2019 1 1 12 THR HB H 9.193 -2.326 5.827 1.00 . A A . 11 THR HB 1 1 5 2020 1 1 12 THR HG1 H 9.596 -4.525 6.374 1.00 . A A . 11 THR HG1 1 1 5 2021 1 1 12 THR HG21 H 10.892 -0.673 6.160 1.00 . A A . 11 THR HG21 1 1 5 2022 1 1 12 THR HG22 H 11.587 -1.955 5.166 1.00 . A A . 11 THR HG22 1 1 5 2023 1 1 12 THR HG23 H 11.980 -1.856 6.883 1.00 . A A . 11 THR HG23 1 1 5 2024 1 1 12 THR N N 8.216 -2.888 8.143 1.00 . A A . 11 THR N 1 1 5 2025 1 1 12 THR O O 10.643 -0.586 9.060 1.00 . A A . 11 THR O 1 1 5 2026 1 1 12 THR OG1 O 10.364 -3.968 6.223 1.00 . A A . 11 THR OG1 1 1 5 2027 1 1 13 CYS C C 7.687 1.694 9.028 1.00 . A A . 12 CYS C 1 1 5 2028 1 1 13 CYS CA C 8.848 1.304 8.118 1.00 . A A . 12 CYS CA 1 1 5 2029 1 1 13 CYS CB C 8.789 2.114 6.821 1.00 . A A . 12 CYS CB 1 1 5 2030 1 1 13 CYS H H 8.115 -0.479 7.241 1.00 . A A . 12 CYS H 1 1 5 2031 1 1 13 CYS HA H 9.775 1.520 8.625 1.00 . A A . 12 CYS HA 1 1 5 2032 1 1 13 CYS HB2 H 9.311 3.049 6.966 1.00 . A A . 12 CYS HB2 1 1 5 2033 1 1 13 CYS HB3 H 9.274 1.556 6.035 1.00 . A A . 12 CYS HB3 1 1 5 2034 1 1 13 CYS N N 8.821 -0.124 7.823 1.00 . A A . 12 CYS N 1 1 5 2035 1 1 13 CYS O O 7.551 2.854 9.417 1.00 . A A . 12 CYS O 1 1 5 2036 1 1 13 CYS SG S 7.099 2.504 6.265 1.00 . A A . 12 CYS SG 1 1 5 2037 1 1 14 LEU C C 4.798 2.039 9.645 1.00 . A A . 13 LEU C 1 1 5 2038 1 1 14 LEU CA C 5.701 0.957 10.227 1.00 . A A . 13 LEU CA 1 1 5 2039 1 1 14 LEU CB C 6.167 1.364 11.627 1.00 . A A . 13 LEU CB 1 1 5 2040 1 1 14 LEU CD1 C 8.058 1.475 13.268 1.00 . A A . 13 LEU CD1 1 1 5 2041 1 1 14 LEU CD2 C 7.102 -0.742 12.615 1.00 . A A . 13 LEU CD2 1 1 5 2042 1 1 14 LEU CG C 7.426 0.668 12.144 1.00 . A A . 13 LEU CG 1 1 5 2043 1 1 14 LEU H H 7.011 -0.187 9.021 1.00 . A A . 13 LEU H 1 1 5 2044 1 1 14 LEU HA H 5.141 0.037 10.297 1.00 . A A . 13 LEU HA 1 1 5 2045 1 1 14 LEU HB2 H 6.356 2.426 11.616 1.00 . A A . 13 LEU HB2 1 1 5 2046 1 1 14 LEU HB3 H 5.363 1.151 12.317 1.00 . A A . 13 LEU HB3 1 1 5 2047 1 1 14 LEU HD11 H 8.969 1.934 12.914 1.00 . A A . 13 LEU HD11 1 1 5 2048 1 1 14 LEU HD12 H 8.283 0.822 14.098 1.00 . A A . 13 LEU HD12 1 1 5 2049 1 1 14 LEU HD13 H 7.369 2.242 13.591 1.00 . A A . 13 LEU HD13 1 1 5 2050 1 1 14 LEU HD21 H 7.974 -1.175 13.081 1.00 . A A . 13 LEU HD21 1 1 5 2051 1 1 14 LEU HD22 H 6.810 -1.346 11.768 1.00 . A A . 13 LEU HD22 1 1 5 2052 1 1 14 LEU HD23 H 6.291 -0.706 13.328 1.00 . A A . 13 LEU HD23 1 1 5 2053 1 1 14 LEU HG H 8.146 0.596 11.340 1.00 . A A . 13 LEU HG 1 1 5 2054 1 1 14 LEU N N 6.851 0.717 9.362 1.00 . A A . 13 LEU N 1 1 5 2055 1 1 14 LEU O O 4.981 3.226 9.915 1.00 . A A . 13 LEU O 1 1 5 2056 1 1 15 VAL C C 1.750 1.814 7.533 1.00 . A A . 14 VAL C 1 1 5 2057 1 1 15 VAL CA C 2.887 2.554 8.228 1.00 . A A . 14 VAL CA 1 1 5 2058 1 1 15 VAL CB C 3.595 3.461 7.203 1.00 . A A . 14 VAL CB 1 1 5 2059 1 1 15 VAL CG1 C 3.014 3.253 5.814 1.00 . A A . 14 VAL CG1 1 1 5 2060 1 1 15 VAL CG2 C 3.489 4.920 7.621 1.00 . A A . 14 VAL CG2 1 1 5 2061 1 1 15 VAL H H 3.726 0.662 8.668 1.00 . A A . 14 VAL H 1 1 5 2062 1 1 15 VAL HA H 2.474 3.179 9.006 1.00 . A A . 14 VAL HA 1 1 5 2063 1 1 15 VAL HB H 4.641 3.191 7.176 1.00 . A A . 14 VAL HB 1 1 5 2064 1 1 15 VAL HG11 H 3.559 3.855 5.102 1.00 . A A . 14 VAL HG11 1 1 5 2065 1 1 15 VAL HG12 H 3.095 2.211 5.541 1.00 . A A . 14 VAL HG12 1 1 5 2066 1 1 15 VAL HG13 H 1.975 3.546 5.811 1.00 . A A . 14 VAL HG13 1 1 5 2067 1 1 15 VAL HG21 H 2.648 5.377 7.121 1.00 . A A . 14 VAL HG21 1 1 5 2068 1 1 15 VAL HG22 H 3.348 4.979 8.691 1.00 . A A . 14 VAL HG22 1 1 5 2069 1 1 15 VAL HG23 H 4.395 5.439 7.349 1.00 . A A . 14 VAL HG23 1 1 5 2070 1 1 15 VAL N N 3.821 1.621 8.846 1.00 . A A . 14 VAL N 1 1 5 2071 1 1 15 VAL O O 1.974 0.824 6.838 1.00 . A A . 14 VAL O 1 1 5 2072 1 1 16 GLN C C -0.866 2.212 5.705 1.00 . A A . 15 GLN C 1 1 5 2073 1 1 16 GLN CA C -0.645 1.685 7.119 1.00 . A A . 15 GLN CA 1 1 5 2074 1 1 16 GLN CB C -1.885 1.948 7.974 1.00 . A A . 15 GLN CB 1 1 5 2075 1 1 16 GLN CD C -2.744 1.984 10.349 1.00 . A A . 15 GLN CD 1 1 5 2076 1 1 16 GLN CG C -1.820 1.312 9.353 1.00 . A A . 15 GLN CG 1 1 5 2077 1 1 16 GLN H H 0.414 3.093 8.292 1.00 . A A . 15 GLN H 1 1 5 2078 1 1 16 GLN HA H -0.472 0.621 7.070 1.00 . A A . 15 GLN HA 1 1 5 2079 1 1 16 GLN HB2 H -2.004 3.014 8.097 1.00 . A A . 15 GLN HB2 1 1 5 2080 1 1 16 GLN HB3 H -2.751 1.555 7.461 1.00 . A A . 15 GLN HB3 1 1 5 2081 1 1 16 GLN HE21 H -3.379 0.214 10.992 1.00 . A A . 15 GLN HE21 1 1 5 2082 1 1 16 GLN HE22 H -4.082 1.589 11.766 1.00 . A A . 15 GLN HE22 1 1 5 2083 1 1 16 GLN HG2 H -2.101 0.273 9.271 1.00 . A A . 15 GLN HG2 1 1 5 2084 1 1 16 GLN HG3 H -0.807 1.384 9.720 1.00 . A A . 15 GLN HG3 1 1 5 2085 1 1 16 GLN N N 0.528 2.301 7.727 1.00 . A A . 15 GLN N 1 1 5 2086 1 1 16 GLN NE2 N -3.477 1.182 11.113 1.00 . A A . 15 GLN NE2 1 1 5 2087 1 1 16 GLN O O -0.589 3.376 5.416 1.00 . A A . 15 GLN O 1 1 5 2088 1 1 16 GLN OE1 O -2.800 3.212 10.433 1.00 . A A . 15 GLN OE1 1 1 5 2089 1 1 17 ASN C C -2.920 1.103 2.940 1.00 . A A . 16 ASN C 1 1 5 2090 1 1 17 ASN CA C -1.622 1.726 3.443 1.00 . A A . 16 ASN CA 1 1 5 2091 1 1 17 ASN CB C -0.457 1.295 2.549 1.00 . A A . 16 ASN CB 1 1 5 2092 1 1 17 ASN CG C 0.871 1.315 3.281 1.00 . A A . 16 ASN CG 1 1 5 2093 1 1 17 ASN H H -1.565 0.433 5.118 1.00 . A A . 16 ASN H 1 1 5 2094 1 1 17 ASN HA H -1.714 2.801 3.405 1.00 . A A . 16 ASN HA 1 1 5 2095 1 1 17 ASN HB2 H -0.635 0.290 2.196 1.00 . A A . 16 ASN HB2 1 1 5 2096 1 1 17 ASN HB3 H -0.392 1.964 1.704 1.00 . A A . 16 ASN HB3 1 1 5 2097 1 1 17 ASN HD21 H 0.198 -0.022 4.591 1.00 . A A . 16 ASN HD21 1 1 5 2098 1 1 17 ASN HD22 H 1.821 0.518 4.835 1.00 . A A . 16 ASN HD22 1 1 5 2099 1 1 17 ASN N N -1.365 1.348 4.827 1.00 . A A . 16 ASN N 1 1 5 2100 1 1 17 ASN ND2 N 0.974 0.524 4.343 1.00 . A A . 16 ASN ND2 1 1 5 2101 1 1 17 ASN O O -3.292 0.001 3.347 1.00 . A A . 16 ASN O 1 1 5 2102 1 1 17 ASN OD1 O 1.794 2.034 2.897 1.00 . A A . 16 ASN OD1 1 1 5 2103 1 1 18 LYS C C -4.666 -0.001 0.781 1.00 . A A . 17 LYS C 1 1 5 2104 1 1 18 LYS CA C -4.864 1.332 1.493 1.00 . A A . 17 LYS CA 1 1 5 2105 1 1 18 LYS CB C -5.441 2.362 0.519 1.00 . A A . 17 LYS CB 1 1 5 2106 1 1 18 LYS CD C -5.632 3.114 -1.870 1.00 . A A . 17 LYS CD 1 1 5 2107 1 1 18 LYS CE C -5.573 4.596 -1.535 1.00 . A A . 17 LYS CE 1 1 5 2108 1 1 18 LYS CG C -4.839 2.285 -0.873 1.00 . A A . 17 LYS CG 1 1 5 2109 1 1 18 LYS H H -3.261 2.686 1.769 1.00 . A A . 17 LYS H 1 1 5 2110 1 1 18 LYS HA H -5.559 1.191 2.308 1.00 . A A . 17 LYS HA 1 1 5 2111 1 1 18 LYS HB2 H -6.506 2.205 0.437 1.00 . A A . 17 LYS HB2 1 1 5 2112 1 1 18 LYS HB3 H -5.260 3.351 0.912 1.00 . A A . 17 LYS HB3 1 1 5 2113 1 1 18 LYS HD2 H -5.222 2.963 -2.858 1.00 . A A . 17 LYS HD2 1 1 5 2114 1 1 18 LYS HD3 H -6.664 2.791 -1.854 1.00 . A A . 17 LYS HD3 1 1 5 2115 1 1 18 LYS HE2 H -5.941 4.740 -0.531 1.00 . A A . 17 LYS HE2 1 1 5 2116 1 1 18 LYS HE3 H -4.545 4.923 -1.592 1.00 . A A . 17 LYS HE3 1 1 5 2117 1 1 18 LYS HG2 H -3.825 2.656 -0.839 1.00 . A A . 17 LYS HG2 1 1 5 2118 1 1 18 LYS HG3 H -4.836 1.254 -1.198 1.00 . A A . 17 LYS HG3 1 1 5 2119 1 1 18 LYS HZ1 H -6.616 6.332 -2.046 1.00 . A A . 17 LYS HZ1 1 1 5 2120 1 1 18 LYS HZ2 H -7.283 4.918 -2.690 1.00 . A A . 17 LYS HZ2 1 1 5 2121 1 1 18 LYS HZ3 H -5.872 5.568 -3.360 1.00 . A A . 17 LYS HZ3 1 1 5 2122 1 1 18 LYS N N -3.608 1.814 2.054 1.00 . A A . 17 LYS N 1 1 5 2123 1 1 18 LYS NZ N -6.393 5.410 -2.474 1.00 . A A . 17 LYS NZ 1 1 5 2124 1 1 18 LYS O O -3.634 -0.253 0.158 1.00 . A A . 17 LYS O 1 1 5 2125 1 1 19 PRO C C -5.714 -2.120 -1.281 1.00 . A A . 18 PRO C 1 1 5 2126 1 1 19 PRO CA C -5.636 -2.201 0.240 1.00 . A A . 18 PRO CA 1 1 5 2127 1 1 19 PRO CB C -6.877 -2.900 0.802 1.00 . A A . 18 PRO CB 1 1 5 2128 1 1 19 PRO CD C -6.937 -0.647 1.597 1.00 . A A . 18 PRO CD 1 1 5 2129 1 1 19 PRO CG C -7.806 -1.793 1.160 1.00 . A A . 18 PRO CG 1 1 5 2130 1 1 19 PRO HA H -4.751 -2.750 0.525 1.00 . A A . 18 PRO HA 1 1 5 2131 1 1 19 PRO HB2 H -7.302 -3.547 0.047 1.00 . A A . 18 PRO HB2 1 1 5 2132 1 1 19 PRO HB3 H -6.604 -3.482 1.670 1.00 . A A . 18 PRO HB3 1 1 5 2133 1 1 19 PRO HD2 H -7.380 0.295 1.309 1.00 . A A . 18 PRO HD2 1 1 5 2134 1 1 19 PRO HD3 H -6.777 -0.680 2.665 1.00 . A A . 18 PRO HD3 1 1 5 2135 1 1 19 PRO HG2 H -8.392 -1.512 0.298 1.00 . A A . 18 PRO HG2 1 1 5 2136 1 1 19 PRO HG3 H -8.451 -2.103 1.969 1.00 . A A . 18 PRO HG3 1 1 5 2137 1 1 19 PRO N N -5.676 -0.879 0.871 1.00 . A A . 18 PRO N 1 1 5 2138 1 1 19 PRO O O -5.517 -3.116 -1.975 1.00 . A A . 18 PRO O 1 1 5 2139 1 1 20 GLU C C -4.743 -0.390 -3.833 1.00 . A A . 19 GLU C 1 1 5 2140 1 1 20 GLU CA C -6.106 -0.717 -3.231 1.00 . A A . 19 GLU CA 1 1 5 2141 1 1 20 GLU CB C -7.094 0.412 -3.534 1.00 . A A . 19 GLU CB 1 1 5 2142 1 1 20 GLU CD C -9.072 -0.876 -2.633 1.00 . A A . 19 GLU CD 1 1 5 2143 1 1 20 GLU CG C -8.300 0.430 -2.609 1.00 . A A . 19 GLU CG 1 1 5 2144 1 1 20 GLU H H -6.149 -0.170 -1.185 1.00 . A A . 19 GLU H 1 1 5 2145 1 1 20 GLU HA H -6.472 -1.631 -3.673 1.00 . A A . 19 GLU HA 1 1 5 2146 1 1 20 GLU HB2 H -6.581 1.357 -3.442 1.00 . A A . 19 GLU HB2 1 1 5 2147 1 1 20 GLU HB3 H -7.447 0.300 -4.549 1.00 . A A . 19 GLU HB3 1 1 5 2148 1 1 20 GLU HG2 H -7.962 0.612 -1.600 1.00 . A A . 19 GLU HG2 1 1 5 2149 1 1 20 GLU HG3 H -8.960 1.227 -2.915 1.00 . A A . 19 GLU HG3 1 1 5 2150 1 1 20 GLU N N -6.002 -0.927 -1.792 1.00 . A A . 19 GLU N 1 1 5 2151 1 1 20 GLU O O -4.594 -0.310 -5.052 1.00 . A A . 19 GLU O 1 1 5 2152 1 1 20 GLU OE1 O -8.817 -1.701 -3.533 1.00 . A A . 19 GLU OE1 1 1 5 2153 1 1 20 GLU OE2 O -9.933 -1.069 -1.749 1.00 . A A . 19 GLU OE2 1 1 5 2154 1 1 21 ALA C C -1.606 -1.153 -3.707 1.00 . A A . 20 ALA C 1 1 5 2155 1 1 21 ALA CA C -2.399 0.116 -3.414 1.00 . A A . 20 ALA CA 1 1 5 2156 1 1 21 ALA CB C -1.683 0.958 -2.369 1.00 . A A . 20 ALA CB 1 1 5 2157 1 1 21 ALA H H -3.932 -0.278 -2.009 1.00 . A A . 20 ALA H 1 1 5 2158 1 1 21 ALA HA H -2.476 0.699 -4.321 1.00 . A A . 20 ALA HA 1 1 5 2159 1 1 21 ALA HB1 H -1.650 0.418 -1.434 1.00 . A A . 20 ALA HB1 1 1 5 2160 1 1 21 ALA HB2 H -0.677 1.166 -2.701 1.00 . A A . 20 ALA HB2 1 1 5 2161 1 1 21 ALA HB3 H -2.215 1.887 -2.230 1.00 . A A . 20 ALA HB3 1 1 5 2162 1 1 21 ALA N N -3.751 -0.201 -2.968 1.00 . A A . 20 ALA N 1 1 5 2163 1 1 21 ALA O O -2.065 -2.261 -3.427 1.00 . A A . 20 ALA O 1 1 5 2164 1 1 22 ILE C C 1.701 -2.120 -3.749 1.00 . A A . 21 ILE C 1 1 5 2165 1 1 22 ILE CA C 0.439 -2.116 -4.605 1.00 . A A . 21 ILE CA 1 1 5 2166 1 1 22 ILE CB C 0.842 -2.102 -6.092 1.00 . A A . 21 ILE CB 1 1 5 2167 1 1 22 ILE CD1 C -1.103 -0.846 -7.151 1.00 . A A . 21 ILE CD1 1 1 5 2168 1 1 22 ILE CG1 C -0.403 -2.176 -6.980 1.00 . A A . 21 ILE CG1 1 1 5 2169 1 1 22 ILE CG2 C 1.785 -3.256 -6.396 1.00 . A A . 21 ILE CG2 1 1 5 2170 1 1 22 ILE H H -0.107 -0.076 -4.473 1.00 . A A . 21 ILE H 1 1 5 2171 1 1 22 ILE HA H -0.117 -3.022 -4.412 1.00 . A A . 21 ILE HA 1 1 5 2172 1 1 22 ILE HB H 1.364 -1.179 -6.292 1.00 . A A . 21 ILE HB 1 1 5 2173 1 1 22 ILE HD11 H -0.368 -0.056 -7.198 1.00 . A A . 21 ILE HD11 1 1 5 2174 1 1 22 ILE HD12 H -1.681 -0.858 -8.063 1.00 . A A . 21 ILE HD12 1 1 5 2175 1 1 22 ILE HD13 H -1.760 -0.675 -6.311 1.00 . A A . 21 ILE HD13 1 1 5 2176 1 1 22 ILE HG12 H -0.118 -2.529 -7.959 1.00 . A A . 21 ILE HG12 1 1 5 2177 1 1 22 ILE HG13 H -1.107 -2.869 -6.543 1.00 . A A . 21 ILE HG13 1 1 5 2178 1 1 22 ILE HG21 H 2.757 -3.046 -5.974 1.00 . A A . 21 ILE HG21 1 1 5 2179 1 1 22 ILE HG22 H 1.394 -4.164 -5.964 1.00 . A A . 21 ILE HG22 1 1 5 2180 1 1 22 ILE HG23 H 1.875 -3.375 -7.465 1.00 . A A . 21 ILE HG23 1 1 5 2181 1 1 22 ILE N N -0.417 -0.983 -4.274 1.00 . A A . 21 ILE N 1 1 5 2182 1 1 22 ILE O O 2.353 -3.152 -3.590 1.00 . A A . 21 ILE O 1 1 5 2183 1 1 23 LYS C C 2.981 0.180 -1.234 1.00 . A A . 22 LYS C 1 1 5 2184 1 1 23 LYS CA C 3.221 -0.828 -2.354 1.00 . A A . 22 LYS CA 1 1 5 2185 1 1 23 LYS CB C 4.426 -0.397 -3.193 1.00 . A A . 22 LYS CB 1 1 5 2186 1 1 23 LYS CD C 4.309 2.104 -3.397 1.00 . A A . 22 LYS CD 1 1 5 2187 1 1 23 LYS CE C 4.107 3.278 -4.341 1.00 . A A . 22 LYS CE 1 1 5 2188 1 1 23 LYS CG C 4.138 0.776 -4.114 1.00 . A A . 22 LYS CG 1 1 5 2189 1 1 23 LYS H H 1.479 -0.171 -3.362 1.00 . A A . 22 LYS H 1 1 5 2190 1 1 23 LYS HA H 3.425 -1.794 -1.915 1.00 . A A . 22 LYS HA 1 1 5 2191 1 1 23 LYS HB2 H 5.231 -0.117 -2.529 1.00 . A A . 22 LYS HB2 1 1 5 2192 1 1 23 LYS HB3 H 4.746 -1.233 -3.799 1.00 . A A . 22 LYS HB3 1 1 5 2193 1 1 23 LYS HD2 H 3.583 2.169 -2.600 1.00 . A A . 22 LYS HD2 1 1 5 2194 1 1 23 LYS HD3 H 5.307 2.153 -2.983 1.00 . A A . 22 LYS HD3 1 1 5 2195 1 1 23 LYS HE2 H 4.526 3.026 -5.303 1.00 . A A . 22 LYS HE2 1 1 5 2196 1 1 23 LYS HE3 H 3.048 3.460 -4.447 1.00 . A A . 22 LYS HE3 1 1 5 2197 1 1 23 LYS HG2 H 4.820 0.741 -4.951 1.00 . A A . 22 LYS HG2 1 1 5 2198 1 1 23 LYS HG3 H 3.121 0.699 -4.473 1.00 . A A . 22 LYS HG3 1 1 5 2199 1 1 23 LYS HZ1 H 5.546 4.787 -4.465 1.00 . A A . 22 LYS HZ1 1 1 5 2200 1 1 23 LYS HZ2 H 5.142 4.355 -2.881 1.00 . A A . 22 LYS HZ2 1 1 5 2201 1 1 23 LYS HZ3 H 4.077 5.295 -3.799 1.00 . A A . 22 LYS HZ3 1 1 5 2202 1 1 23 LYS N N 2.039 -0.960 -3.197 1.00 . A A . 22 LYS N 1 1 5 2203 1 1 23 LYS NZ N 4.764 4.515 -3.837 1.00 . A A . 22 LYS NZ 1 1 5 2204 1 1 23 LYS O O 1.919 0.799 -1.160 1.00 . A A . 22 LYS O 1 1 5 2205 1 1 24 CYS C C 3.939 2.716 0.259 1.00 . A A . 23 CYS C 1 1 5 2206 1 1 24 CYS CA C 3.872 1.273 0.749 1.00 . A A . 23 CYS CA 1 1 5 2207 1 1 24 CYS CB C 4.989 1.015 1.761 1.00 . A A . 23 CYS CB 1 1 5 2208 1 1 24 CYS H H 4.797 -0.183 -0.477 1.00 . A A . 23 CYS H 1 1 5 2209 1 1 24 CYS HA H 2.919 1.114 1.230 1.00 . A A . 23 CYS HA 1 1 5 2210 1 1 24 CYS HB2 H 5.246 -0.035 1.743 1.00 . A A . 23 CYS HB2 1 1 5 2211 1 1 24 CYS HB3 H 5.856 1.597 1.486 1.00 . A A . 23 CYS HB3 1 1 5 2212 1 1 24 CYS N N 3.974 0.340 -0.366 1.00 . A A . 23 CYS N 1 1 5 2213 1 1 24 CYS O O 4.521 3.002 -0.788 1.00 . A A . 23 CYS O 1 1 5 2214 1 1 24 CYS SG S 4.553 1.446 3.477 1.00 . A A . 23 CYS SG 1 1 5 2215 1 1 25 VAL C C 4.345 5.819 1.496 1.00 . A A . 24 VAL C 1 1 5 2216 1 1 25 VAL CA C 3.331 5.038 0.667 1.00 . A A . 24 VAL CA 1 1 5 2217 1 1 25 VAL CB C 1.936 5.659 0.865 1.00 . A A . 24 VAL CB 1 1 5 2218 1 1 25 VAL CG1 C 1.556 5.661 2.338 1.00 . A A . 24 VAL CG1 1 1 5 2219 1 1 25 VAL CG2 C 1.895 7.068 0.293 1.00 . A A . 24 VAL CG2 1 1 5 2220 1 1 25 VAL H H 2.891 3.336 1.845 1.00 . A A . 24 VAL H 1 1 5 2221 1 1 25 VAL HA H 3.594 5.121 -0.377 1.00 . A A . 24 VAL HA 1 1 5 2222 1 1 25 VAL HB H 1.216 5.056 0.331 1.00 . A A . 24 VAL HB 1 1 5 2223 1 1 25 VAL HG11 H 1.151 6.626 2.603 1.00 . A A . 24 VAL HG11 1 1 5 2224 1 1 25 VAL HG12 H 0.816 4.896 2.520 1.00 . A A . 24 VAL HG12 1 1 5 2225 1 1 25 VAL HG13 H 2.434 5.463 2.935 1.00 . A A . 24 VAL HG13 1 1 5 2226 1 1 25 VAL HG21 H 0.918 7.257 -0.128 1.00 . A A . 24 VAL HG21 1 1 5 2227 1 1 25 VAL HG22 H 2.090 7.783 1.079 1.00 . A A . 24 VAL HG22 1 1 5 2228 1 1 25 VAL HG23 H 2.645 7.167 -0.477 1.00 . A A . 24 VAL HG23 1 1 5 2229 1 1 25 VAL N N 3.339 3.624 1.023 1.00 . A A . 24 VAL N 1 1 5 2230 1 1 25 VAL O O 4.297 7.047 1.558 1.00 . A A . 24 VAL O 1 1 5 2231 1 1 26 ALA C C 7.673 5.179 2.613 1.00 . A A . 25 ALA C 1 1 5 2232 1 1 26 ALA CA C 6.290 5.721 2.955 1.00 . A A . 25 ALA CA 1 1 5 2233 1 1 26 ALA CB C 5.987 5.506 4.431 1.00 . A A . 25 ALA CB 1 1 5 2234 1 1 26 ALA H H 5.248 4.121 2.043 1.00 . A A . 25 ALA H 1 1 5 2235 1 1 26 ALA HA H 6.273 6.784 2.761 1.00 . A A . 25 ALA HA 1 1 5 2236 1 1 26 ALA HB1 H 6.377 4.548 4.742 1.00 . A A . 25 ALA HB1 1 1 5 2237 1 1 26 ALA HB2 H 6.450 6.291 5.011 1.00 . A A . 25 ALA HB2 1 1 5 2238 1 1 26 ALA HB3 H 4.918 5.528 4.584 1.00 . A A . 25 ALA HB3 1 1 5 2239 1 1 26 ALA N N 5.263 5.097 2.131 1.00 . A A . 25 ALA N 1 1 5 2240 1 1 26 ALA O O 8.626 5.940 2.443 1.00 . A A . 25 ALA O 1 1 5 2241 1 1 27 CYS C C 9.004 2.597 0.798 1.00 . A A . 26 CYS C 1 1 5 2242 1 1 27 CYS CA C 9.045 3.212 2.193 1.00 . A A . 26 CYS CA 1 1 5 2243 1 1 27 CYS CB C 9.367 2.134 3.230 1.00 . A A . 26 CYS CB 1 1 5 2244 1 1 27 CYS H H 6.982 3.303 2.661 1.00 . A A . 26 CYS H 1 1 5 2245 1 1 27 CYS HA H 9.817 3.966 2.218 1.00 . A A . 26 CYS HA 1 1 5 2246 1 1 27 CYS HB2 H 10.406 1.850 3.131 1.00 . A A . 26 CYS HB2 1 1 5 2247 1 1 27 CYS HB3 H 9.201 2.533 4.219 1.00 . A A . 26 CYS HB3 1 1 5 2248 1 1 27 CYS N N 7.778 3.858 2.513 1.00 . A A . 26 CYS N 1 1 5 2249 1 1 27 CYS O O 10.028 2.165 0.270 1.00 . A A . 26 CYS O 1 1 5 2250 1 1 27 CYS SG S 8.365 0.622 3.066 1.00 . A A . 26 CYS SG 1 1 5 2251 1 1 28 GLU C C 7.923 0.498 -1.126 1.00 . A A . 27 GLU C 1 1 5 2252 1 1 28 GLU CA C 7.639 1.998 -1.126 1.00 . A A . 27 GLU CA 1 1 5 2253 1 1 28 GLU CB C 8.559 2.702 -2.126 1.00 . A A . 27 GLU CB 1 1 5 2254 1 1 28 GLU CD C 9.801 4.821 -2.712 1.00 . A A . 27 GLU CD 1 1 5 2255 1 1 28 GLU CG C 8.710 4.192 -1.869 1.00 . A A . 27 GLU CG 1 1 5 2256 1 1 28 GLU H H 7.034 2.920 0.680 1.00 . A A . 27 GLU H 1 1 5 2257 1 1 28 GLU HA H 6.613 2.157 -1.423 1.00 . A A . 27 GLU HA 1 1 5 2258 1 1 28 GLU HB2 H 9.538 2.248 -2.077 1.00 . A A . 27 GLU HB2 1 1 5 2259 1 1 28 GLU HB3 H 8.159 2.569 -3.120 1.00 . A A . 27 GLU HB3 1 1 5 2260 1 1 28 GLU HG2 H 7.775 4.680 -2.097 1.00 . A A . 27 GLU HG2 1 1 5 2261 1 1 28 GLU HG3 H 8.948 4.342 -0.825 1.00 . A A . 27 GLU HG3 1 1 5 2262 1 1 28 GLU N N 7.813 2.560 0.207 1.00 . A A . 27 GLU N 1 1 5 2263 1 1 28 GLU O O 8.614 -0.015 -2.006 1.00 . A A . 27 GLU O 1 1 5 2264 1 1 28 GLU OE1 O 10.579 4.069 -3.336 1.00 . A A . 27 GLU OE1 1 1 5 2265 1 1 28 GLU OE2 O 9.879 6.067 -2.747 1.00 . A A . 27 GLU OE2 1 1 5 2266 1 1 29 THR C C 6.565 -2.403 -0.853 1.00 . A A . 28 THR C 1 1 5 2267 1 1 29 THR CA C 7.581 -1.639 -0.012 1.00 . A A . 28 THR CA 1 1 5 2268 1 1 29 THR CB C 7.471 -2.102 1.453 1.00 . A A . 28 THR CB 1 1 5 2269 1 1 29 THR CG2 C 6.661 -3.385 1.555 1.00 . A A . 28 THR CG2 1 1 5 2270 1 1 29 THR H H 6.843 0.266 0.540 1.00 . A A . 28 THR H 1 1 5 2271 1 1 29 THR HA H 8.575 -1.870 -0.367 1.00 . A A . 28 THR HA 1 1 5 2272 1 1 29 THR HB H 6.971 -1.332 2.022 1.00 . A A . 28 THR HB 1 1 5 2273 1 1 29 THR HG1 H 9.270 -2.911 1.430 1.00 . A A . 28 THR HG1 1 1 5 2274 1 1 29 THR HG21 H 6.972 -4.072 0.780 1.00 . A A . 28 THR HG21 1 1 5 2275 1 1 29 THR HG22 H 5.612 -3.159 1.435 1.00 . A A . 28 THR HG22 1 1 5 2276 1 1 29 THR HG23 H 6.823 -3.837 2.521 1.00 . A A . 28 THR HG23 1 1 5 2277 1 1 29 THR N N 7.385 -0.200 -0.131 1.00 . A A . 28 THR N 1 1 5 2278 1 1 29 THR O O 5.409 -2.003 -0.989 1.00 . A A . 28 THR O 1 1 5 2279 1 1 29 THR OG1 O 8.778 -2.313 1.999 1.00 . A A . 28 THR OG1 1 1 5 2280 1 1 30 PRO C C 5.070 -5.093 -1.458 1.00 . A A . 29 PRO C 1 1 5 2281 1 1 30 PRO CA C 6.146 -4.377 -2.268 1.00 . A A . 29 PRO CA 1 1 5 2282 1 1 30 PRO CB C 7.125 -5.388 -2.870 1.00 . A A . 29 PRO CB 1 1 5 2283 1 1 30 PRO CD C 8.369 -4.069 -1.312 1.00 . A A . 29 PRO CD 1 1 5 2284 1 1 30 PRO CG C 8.252 -5.449 -1.898 1.00 . A A . 29 PRO CG 1 1 5 2285 1 1 30 PRO HA H 5.681 -3.809 -3.060 1.00 . A A . 29 PRO HA 1 1 5 2286 1 1 30 PRO HB2 H 6.638 -6.347 -2.971 1.00 . A A . 29 PRO HB2 1 1 5 2287 1 1 30 PRO HB3 H 7.456 -5.043 -3.837 1.00 . A A . 29 PRO HB3 1 1 5 2288 1 1 30 PRO HD2 H 8.673 -4.123 -0.277 1.00 . A A . 29 PRO HD2 1 1 5 2289 1 1 30 PRO HD3 H 9.068 -3.475 -1.882 1.00 . A A . 29 PRO HD3 1 1 5 2290 1 1 30 PRO HG2 H 8.031 -6.168 -1.124 1.00 . A A . 29 PRO HG2 1 1 5 2291 1 1 30 PRO HG3 H 9.164 -5.716 -2.410 1.00 . A A . 29 PRO HG3 1 1 5 2292 1 1 30 PRO N N 7.003 -3.532 -1.431 1.00 . A A . 29 PRO N 1 1 5 2293 1 1 30 PRO O O 5.368 -5.984 -0.661 1.00 . A A . 29 PRO O 1 1 5 2294 1 1 31 LYS C C 2.735 -6.825 -1.078 1.00 . A A . 30 LYS C 1 1 5 2295 1 1 31 LYS CA C 2.698 -5.304 -0.958 1.00 . A A . 30 LYS CA 1 1 5 2296 1 1 31 LYS CB C 1.373 -4.771 -1.508 1.00 . A A . 30 LYS CB 1 1 5 2297 1 1 31 LYS CD C -1.006 -5.437 -1.965 1.00 . A A . 30 LYS CD 1 1 5 2298 1 1 31 LYS CE C -2.051 -4.430 -1.510 1.00 . A A . 30 LYS CE 1 1 5 2299 1 1 31 LYS CG C 0.154 -5.514 -0.987 1.00 . A A . 30 LYS CG 1 1 5 2300 1 1 31 LYS H H 3.645 -3.984 -2.315 1.00 . A A . 30 LYS H 1 1 5 2301 1 1 31 LYS HA H 2.779 -5.035 0.083 1.00 . A A . 30 LYS HA 1 1 5 2302 1 1 31 LYS HB2 H 1.277 -3.730 -1.237 1.00 . A A . 30 LYS HB2 1 1 5 2303 1 1 31 LYS HB3 H 1.385 -4.853 -2.585 1.00 . A A . 30 LYS HB3 1 1 5 2304 1 1 31 LYS HD2 H -0.631 -5.138 -2.932 1.00 . A A . 30 LYS HD2 1 1 5 2305 1 1 31 LYS HD3 H -1.467 -6.412 -2.040 1.00 . A A . 30 LYS HD3 1 1 5 2306 1 1 31 LYS HE2 H -2.371 -4.688 -0.512 1.00 . A A . 30 LYS HE2 1 1 5 2307 1 1 31 LYS HE3 H -1.605 -3.447 -1.502 1.00 . A A . 30 LYS HE3 1 1 5 2308 1 1 31 LYS HG2 H 0.415 -6.551 -0.835 1.00 . A A . 30 LYS HG2 1 1 5 2309 1 1 31 LYS HG3 H -0.148 -5.075 -0.047 1.00 . A A . 30 LYS HG3 1 1 5 2310 1 1 31 LYS HZ1 H -3.549 -3.438 -2.576 1.00 . A A . 30 LYS HZ1 1 1 5 2311 1 1 31 LYS HZ2 H -4.019 -4.950 -1.980 1.00 . A A . 30 LYS HZ2 1 1 5 2312 1 1 31 LYS HZ3 H -2.997 -4.851 -3.324 1.00 . A A . 30 LYS HZ3 1 1 5 2313 1 1 31 LYS N N 3.819 -4.699 -1.667 1.00 . A A . 30 LYS N 1 1 5 2314 1 1 31 LYS NZ N -3.237 -4.417 -2.410 1.00 . A A . 30 LYS NZ 1 1 5 2315 1 1 31 LYS O O 3.100 -7.381 -2.114 1.00 . A A . 30 LYS O 1 1 5 2316 1 1 32 PRO C C 1.233 -9.568 -0.841 1.00 . A A . 31 PRO C 1 1 5 2317 1 1 32 PRO CA C 2.326 -8.979 0.044 1.00 . A A . 31 PRO CA 1 1 5 2318 1 1 32 PRO CB C 2.045 -9.290 1.517 1.00 . A A . 31 PRO CB 1 1 5 2319 1 1 32 PRO CD C 1.899 -6.916 1.275 1.00 . A A . 31 PRO CD 1 1 5 2320 1 1 32 PRO CG C 1.332 -8.086 2.029 1.00 . A A . 31 PRO CG 1 1 5 2321 1 1 32 PRO HA H 3.280 -9.397 -0.237 1.00 . A A . 31 PRO HA 1 1 5 2322 1 1 32 PRO HB2 H 1.430 -10.175 1.590 1.00 . A A . 31 PRO HB2 1 1 5 2323 1 1 32 PRO HB3 H 2.977 -9.448 2.039 1.00 . A A . 31 PRO HB3 1 1 5 2324 1 1 32 PRO HD2 H 1.136 -6.172 1.102 1.00 . A A . 31 PRO HD2 1 1 5 2325 1 1 32 PRO HD3 H 2.732 -6.488 1.813 1.00 . A A . 31 PRO HD3 1 1 5 2326 1 1 32 PRO HG2 H 0.273 -8.178 1.838 1.00 . A A . 31 PRO HG2 1 1 5 2327 1 1 32 PRO HG3 H 1.515 -7.974 3.087 1.00 . A A . 31 PRO HG3 1 1 5 2328 1 1 32 PRO N N 2.348 -7.514 0.005 1.00 . A A . 31 PRO N 1 1 5 2329 1 1 32 PRO O O 1.537 -10.380 -1.713 1.00 . A A . 31 PRO O 1 1 5 2330 2 2 1 ZN ZN ZN 6.561 0.819 4.634 1.00 . B A . 32 ZN ZN 1 1 6 2331 1 1 2 HIS C C -15.733 5.307 6.591 1.00 . A A . 1 HIS C 1 1 6 2332 1 1 2 HIS CA C -17.215 5.209 6.941 1.00 . A A . 1 HIS CA 1 1 6 2333 1 1 2 HIS CB C -17.728 3.798 6.651 1.00 . A A . 1 HIS CB 1 1 6 2334 1 1 2 HIS CD2 C -17.934 3.773 4.066 1.00 . A A . 1 HIS CD2 1 1 6 2335 1 1 2 HIS CE1 C -16.552 2.123 3.650 1.00 . A A . 1 HIS CE1 1 1 6 2336 1 1 2 HIS CG C -17.453 3.336 5.254 1.00 . A A . 1 HIS CG 1 1 6 2337 1 1 2 HIS H H -18.732 5.889 5.629 1.00 . A A . 1 HIS H 1 1 6 2338 1 1 2 HIS HA H -17.338 5.419 7.992 1.00 . A A . 1 HIS HA 1 1 6 2339 1 1 2 HIS HB2 H -17.253 3.104 7.329 1.00 . A A . 1 HIS HB2 1 1 6 2340 1 1 2 HIS HB3 H -18.797 3.772 6.806 1.00 . A A . 1 HIS HB3 1 1 6 2341 1 1 2 HIS HD1 H -16.081 1.777 5.611 1.00 . A A . 1 HIS HD1 1 1 6 2342 1 1 2 HIS HD2 H -18.640 4.579 3.917 1.00 . A A . 1 HIS HD2 1 1 6 2343 1 1 2 HIS HE1 H -15.961 1.384 3.130 1.00 . A A . 1 HIS HE1 1 1 6 2344 1 1 2 HIS N N -17.990 6.193 6.193 1.00 . A A . 1 HIS N 1 1 6 2345 1 1 2 HIS ND1 N -16.591 2.301 4.958 1.00 . A A . 1 HIS ND1 1 1 6 2346 1 1 2 HIS NE2 N -17.359 3.003 3.085 1.00 . A A . 1 HIS NE2 1 1 6 2347 1 1 2 HIS O O -15.356 5.970 5.626 1.00 . A A . 1 HIS O 1 1 6 2348 1 1 3 MET C C -12.967 3.281 6.707 1.00 . A A . 2 MET C 1 1 6 2349 1 1 3 MET CA C -13.458 4.654 7.157 1.00 . A A . 2 MET CA 1 1 6 2350 1 1 3 MET CB C -12.724 5.079 8.430 1.00 . A A . 2 MET CB 1 1 6 2351 1 1 3 MET CE C -11.562 8.759 9.378 1.00 . A A . 2 MET CE 1 1 6 2352 1 1 3 MET CG C -13.069 6.486 8.890 1.00 . A A . 2 MET CG 1 1 6 2353 1 1 3 MET H H -15.259 4.131 8.138 1.00 . A A . 2 MET H 1 1 6 2354 1 1 3 MET HA H -13.252 5.370 6.377 1.00 . A A . 2 MET HA 1 1 6 2355 1 1 3 MET HB2 H -12.976 4.392 9.224 1.00 . A A . 2 MET HB2 1 1 6 2356 1 1 3 MET HB3 H -11.660 5.034 8.250 1.00 . A A . 2 MET HB3 1 1 6 2357 1 1 3 MET HE1 H -10.789 9.430 9.033 1.00 . A A . 2 MET HE1 1 1 6 2358 1 1 3 MET HE2 H -12.387 9.333 9.773 1.00 . A A . 2 MET HE2 1 1 6 2359 1 1 3 MET HE3 H -11.164 8.120 10.154 1.00 . A A . 2 MET HE3 1 1 6 2360 1 1 3 MET HG2 H -14.123 6.657 8.724 1.00 . A A . 2 MET HG2 1 1 6 2361 1 1 3 MET HG3 H -12.857 6.567 9.945 1.00 . A A . 2 MET HG3 1 1 6 2362 1 1 3 MET N N -14.899 4.641 7.383 1.00 . A A . 2 MET N 1 1 6 2363 1 1 3 MET O O -13.608 2.264 6.972 1.00 . A A . 2 MET O 1 1 6 2364 1 1 3 MET SD S -12.135 7.753 8.011 1.00 . A A . 2 MET SD 1 1 6 2365 1 1 4 VAL C C -10.391 1.349 6.612 1.00 . A A . 3 VAL C 1 1 6 2366 1 1 4 VAL CA C -11.249 2.012 5.540 1.00 . A A . 3 VAL CA 1 1 6 2367 1 1 4 VAL CB C -10.391 2.243 4.282 1.00 . A A . 3 VAL CB 1 1 6 2368 1 1 4 VAL CG1 C -9.848 0.923 3.756 1.00 . A A . 3 VAL CG1 1 1 6 2369 1 1 4 VAL CG2 C -11.198 2.961 3.212 1.00 . A A . 3 VAL CG2 1 1 6 2370 1 1 4 VAL H H -11.361 4.104 5.846 1.00 . A A . 3 VAL H 1 1 6 2371 1 1 4 VAL HA H -12.060 1.348 5.280 1.00 . A A . 3 VAL HA 1 1 6 2372 1 1 4 VAL HB H -9.554 2.869 4.552 1.00 . A A . 3 VAL HB 1 1 6 2373 1 1 4 VAL HG11 H -10.471 0.575 2.946 1.00 . A A . 3 VAL HG11 1 1 6 2374 1 1 4 VAL HG12 H -8.839 1.065 3.399 1.00 . A A . 3 VAL HG12 1 1 6 2375 1 1 4 VAL HG13 H -9.850 0.191 4.550 1.00 . A A . 3 VAL HG13 1 1 6 2376 1 1 4 VAL HG21 H -10.575 3.695 2.723 1.00 . A A . 3 VAL HG21 1 1 6 2377 1 1 4 VAL HG22 H -11.549 2.245 2.482 1.00 . A A . 3 VAL HG22 1 1 6 2378 1 1 4 VAL HG23 H -12.044 3.454 3.668 1.00 . A A . 3 VAL HG23 1 1 6 2379 1 1 4 VAL N N -11.826 3.260 6.026 1.00 . A A . 3 VAL N 1 1 6 2380 1 1 4 VAL O O -9.515 1.985 7.202 1.00 . A A . 3 VAL O 1 1 6 2381 1 1 5 ILE C C -9.034 -1.754 7.208 1.00 . A A . 4 ILE C 1 1 6 2382 1 1 5 ILE CA C -9.898 -0.679 7.860 1.00 . A A . 4 ILE CA 1 1 6 2383 1 1 5 ILE CB C -10.835 -1.342 8.887 1.00 . A A . 4 ILE CB 1 1 6 2384 1 1 5 ILE CD1 C -10.354 0.527 10.546 1.00 . A A . 4 ILE CD1 1 1 6 2385 1 1 5 ILE CG1 C -11.411 -0.290 9.838 1.00 . A A . 4 ILE CG1 1 1 6 2386 1 1 5 ILE CG2 C -10.092 -2.417 9.666 1.00 . A A . 4 ILE CG2 1 1 6 2387 1 1 5 ILE H H -11.357 -0.382 6.358 1.00 . A A . 4 ILE H 1 1 6 2388 1 1 5 ILE HA H -9.256 0.014 8.383 1.00 . A A . 4 ILE HA 1 1 6 2389 1 1 5 ILE HB H -11.643 -1.814 8.351 1.00 . A A . 4 ILE HB 1 1 6 2390 1 1 5 ILE HD11 H -10.274 1.496 10.078 1.00 . A A . 4 ILE HD11 1 1 6 2391 1 1 5 ILE HD12 H -10.628 0.648 11.583 1.00 . A A . 4 ILE HD12 1 1 6 2392 1 1 5 ILE HD13 H -9.403 0.017 10.483 1.00 . A A . 4 ILE HD13 1 1 6 2393 1 1 5 ILE HG12 H -12.034 0.388 9.278 1.00 . A A . 4 ILE HG12 1 1 6 2394 1 1 5 ILE HG13 H -12.009 -0.785 10.589 1.00 . A A . 4 ILE HG13 1 1 6 2395 1 1 5 ILE HG21 H -9.111 -2.053 9.936 1.00 . A A . 4 ILE HG21 1 1 6 2396 1 1 5 ILE HG22 H -10.644 -2.659 10.562 1.00 . A A . 4 ILE HG22 1 1 6 2397 1 1 5 ILE HG23 H -9.991 -3.301 9.054 1.00 . A A . 4 ILE HG23 1 1 6 2398 1 1 5 ILE N N -10.648 0.070 6.860 1.00 . A A . 4 ILE N 1 1 6 2399 1 1 5 ILE O O -8.064 -2.229 7.799 1.00 . A A . 4 ILE O 1 1 6 2400 1 1 6 GLY C C -7.174 -2.789 5.127 1.00 . A A . 5 GLY C 1 1 6 2401 1 1 6 GLY CA C -8.640 -3.149 5.272 1.00 . A A . 5 GLY CA 1 1 6 2402 1 1 6 GLY H H -10.175 -1.721 5.564 1.00 . A A . 5 GLY H 1 1 6 2403 1 1 6 GLY HA2 H -8.719 -4.082 5.809 1.00 . A A . 5 GLY HA2 1 1 6 2404 1 1 6 GLY HA3 H -9.067 -3.272 4.288 1.00 . A A . 5 GLY HA3 1 1 6 2405 1 1 6 GLY N N -9.393 -2.133 5.986 1.00 . A A . 5 GLY N 1 1 6 2406 1 1 6 GLY O O -6.324 -3.666 4.975 1.00 . A A . 5 GLY O 1 1 6 2407 1 1 7 THR C C -4.528 -1.973 5.718 1.00 . A A . 6 THR C 1 1 6 2408 1 1 7 THR CA C -5.506 -1.019 5.042 1.00 . A A . 6 THR CA 1 1 6 2409 1 1 7 THR CB C -5.337 0.386 5.651 1.00 . A A . 6 THR CB 1 1 6 2410 1 1 7 THR CG2 C -6.119 1.419 4.852 1.00 . A A . 6 THR CG2 1 1 6 2411 1 1 7 THR H H -7.600 -0.842 5.296 1.00 . A A . 6 THR H 1 1 6 2412 1 1 7 THR HA H -5.271 -0.963 3.989 1.00 . A A . 6 THR HA 1 1 6 2413 1 1 7 THR HB H -4.290 0.650 5.623 1.00 . A A . 6 THR HB 1 1 6 2414 1 1 7 THR HG1 H -6.375 -0.356 7.155 1.00 . A A . 6 THR HG1 1 1 6 2415 1 1 7 THR HG21 H -6.736 2.000 5.521 1.00 . A A . 6 THR HG21 1 1 6 2416 1 1 7 THR HG22 H -6.745 0.916 4.129 1.00 . A A . 6 THR HG22 1 1 6 2417 1 1 7 THR HG23 H -5.431 2.073 4.339 1.00 . A A . 6 THR HG23 1 1 6 2418 1 1 7 THR N N -6.878 -1.493 5.173 1.00 . A A . 6 THR N 1 1 6 2419 1 1 7 THR O O -4.811 -2.513 6.787 1.00 . A A . 6 THR O 1 1 6 2420 1 1 7 THR OG1 O -5.786 0.389 7.010 1.00 . A A . 6 THR OG1 1 1 6 2421 1 1 8 TRP C C -1.236 -2.268 6.294 1.00 . A A . 7 TRP C 1 1 6 2422 1 1 8 TRP CA C -2.354 -3.064 5.630 1.00 . A A . 7 TRP CA 1 1 6 2423 1 1 8 TRP CB C -1.780 -3.949 4.523 1.00 . A A . 7 TRP CB 1 1 6 2424 1 1 8 TRP CD1 C -2.507 -2.758 2.372 1.00 . A A . 7 TRP CD1 1 1 6 2425 1 1 8 TRP CD2 C -0.289 -2.859 2.664 1.00 . A A . 7 TRP CD2 1 1 6 2426 1 1 8 TRP CE2 C -0.553 -2.186 1.455 1.00 . A A . 7 TRP CE2 1 1 6 2427 1 1 8 TRP CE3 C 1.040 -3.041 3.057 1.00 . A A . 7 TRP CE3 1 1 6 2428 1 1 8 TRP CG C -1.553 -3.216 3.235 1.00 . A A . 7 TRP CG 1 1 6 2429 1 1 8 TRP CH2 C 1.754 -1.889 1.047 1.00 . A A . 7 TRP CH2 1 1 6 2430 1 1 8 TRP CZ2 C 0.463 -1.697 0.638 1.00 . A A . 7 TRP CZ2 1 1 6 2431 1 1 8 TRP CZ3 C 2.047 -2.555 2.244 1.00 . A A . 7 TRP CZ3 1 1 6 2432 1 1 8 TRP H H -3.208 -1.715 4.239 1.00 . A A . 7 TRP H 1 1 6 2433 1 1 8 TRP HA H -2.823 -3.691 6.374 1.00 . A A . 7 TRP HA 1 1 6 2434 1 1 8 TRP HB2 H -0.834 -4.353 4.849 1.00 . A A . 7 TRP HB2 1 1 6 2435 1 1 8 TRP HB3 H -2.466 -4.761 4.329 1.00 . A A . 7 TRP HB3 1 1 6 2436 1 1 8 TRP HD1 H -3.569 -2.876 2.524 1.00 . A A . 7 TRP HD1 1 1 6 2437 1 1 8 TRP HE1 H -2.387 -1.727 0.546 1.00 . A A . 7 TRP HE1 1 1 6 2438 1 1 8 TRP HE3 H 1.286 -3.552 3.976 1.00 . A A . 7 TRP HE3 1 1 6 2439 1 1 8 TRP HH2 H 2.572 -1.527 0.444 1.00 . A A . 7 TRP HH2 1 1 6 2440 1 1 8 TRP HZ2 H 0.253 -1.181 -0.288 1.00 . A A . 7 TRP HZ2 1 1 6 2441 1 1 8 TRP HZ3 H 3.080 -2.687 2.532 1.00 . A A . 7 TRP HZ3 1 1 6 2442 1 1 8 TRP N N -3.375 -2.174 5.089 1.00 . A A . 7 TRP N 1 1 6 2443 1 1 8 TRP NE1 N -1.913 -2.138 1.299 1.00 . A A . 7 TRP NE1 1 1 6 2444 1 1 8 TRP O O -0.799 -1.241 5.773 1.00 . A A . 7 TRP O 1 1 6 2445 1 1 9 ASP C C 1.653 -2.667 7.808 1.00 . A A . 8 ASP C 1 1 6 2446 1 1 9 ASP CA C 0.293 -2.081 8.177 1.00 . A A . 8 ASP CA 1 1 6 2447 1 1 9 ASP CB C 0.062 -2.206 9.684 1.00 . A A . 8 ASP CB 1 1 6 2448 1 1 9 ASP CG C -1.384 -1.968 10.070 1.00 . A A . 8 ASP CG 1 1 6 2449 1 1 9 ASP H H -1.164 -3.571 7.808 1.00 . A A . 8 ASP H 1 1 6 2450 1 1 9 ASP HA H 0.280 -1.036 7.906 1.00 . A A . 8 ASP HA 1 1 6 2451 1 1 9 ASP HB2 H 0.342 -3.200 10.003 1.00 . A A . 8 ASP HB2 1 1 6 2452 1 1 9 ASP HB3 H 0.677 -1.482 10.197 1.00 . A A . 8 ASP HB3 1 1 6 2453 1 1 9 ASP N N -0.776 -2.748 7.444 1.00 . A A . 8 ASP N 1 1 6 2454 1 1 9 ASP O O 1.843 -3.883 7.829 1.00 . A A . 8 ASP O 1 1 6 2455 1 1 9 ASP OD1 O -2.276 -2.546 9.413 1.00 . A A . 8 ASP OD1 1 1 6 2456 1 1 9 ASP OD2 O -1.625 -1.206 11.028 1.00 . A A . 8 ASP OD2 1 1 6 2457 1 1 10 CYS C C 4.599 -2.995 8.231 1.00 . A A . 9 CYS C 1 1 6 2458 1 1 10 CYS CA C 3.937 -2.223 7.093 1.00 . A A . 9 CYS CA 1 1 6 2459 1 1 10 CYS CB C 4.795 -1.013 6.716 1.00 . A A . 9 CYS CB 1 1 6 2460 1 1 10 CYS H H 2.383 -0.836 7.472 1.00 . A A . 9 CYS H 1 1 6 2461 1 1 10 CYS HA H 3.850 -2.873 6.237 1.00 . A A . 9 CYS HA 1 1 6 2462 1 1 10 CYS HB2 H 4.177 -0.288 6.206 1.00 . A A . 9 CYS HB2 1 1 6 2463 1 1 10 CYS HB3 H 5.194 -0.570 7.617 1.00 . A A . 9 CYS HB3 1 1 6 2464 1 1 10 CYS N N 2.596 -1.794 7.469 1.00 . A A . 9 CYS N 1 1 6 2465 1 1 10 CYS O O 4.062 -3.075 9.336 1.00 . A A . 9 CYS O 1 1 6 2466 1 1 10 CYS SG S 6.198 -1.409 5.624 1.00 . A A . 9 CYS SG 1 1 6 2467 1 1 11 ASP C C 7.992 -3.994 8.902 1.00 . A A . 10 ASP C 1 1 6 2468 1 1 11 ASP CA C 6.505 -4.327 8.951 1.00 . A A . 10 ASP CA 1 1 6 2469 1 1 11 ASP CB C 6.298 -5.826 8.730 1.00 . A A . 10 ASP CB 1 1 6 2470 1 1 11 ASP CG C 6.543 -6.635 9.989 1.00 . A A . 10 ASP CG 1 1 6 2471 1 1 11 ASP H H 6.144 -3.463 7.052 1.00 . A A . 10 ASP H 1 1 6 2472 1 1 11 ASP HA H 6.121 -4.059 9.924 1.00 . A A . 10 ASP HA 1 1 6 2473 1 1 11 ASP HB2 H 5.282 -5.999 8.406 1.00 . A A . 10 ASP HB2 1 1 6 2474 1 1 11 ASP HB3 H 6.979 -6.169 7.966 1.00 . A A . 10 ASP HB3 1 1 6 2475 1 1 11 ASP N N 5.768 -3.562 7.952 1.00 . A A . 10 ASP N 1 1 6 2476 1 1 11 ASP O O 8.819 -4.702 9.478 1.00 . A A . 10 ASP O 1 1 6 2477 1 1 11 ASP OD1 O 6.741 -6.022 11.059 1.00 . A A . 10 ASP OD1 1 1 6 2478 1 1 11 ASP OD2 O 6.537 -7.881 9.904 1.00 . A A . 10 ASP OD2 1 1 6 2479 1 1 12 THR C C 9.864 -0.997 8.382 1.00 . A A . 11 THR C 1 1 6 2480 1 1 12 THR CA C 9.717 -2.484 8.082 1.00 . A A . 11 THR CA 1 1 6 2481 1 1 12 THR CB C 10.265 -2.768 6.671 1.00 . A A . 11 THR CB 1 1 6 2482 1 1 12 THR CG2 C 10.776 -1.491 6.021 1.00 . A A . 11 THR CG2 1 1 6 2483 1 1 12 THR H H 7.625 -2.386 7.772 1.00 . A A . 11 THR H 1 1 6 2484 1 1 12 THR HA H 10.304 -3.044 8.794 1.00 . A A . 11 THR HA 1 1 6 2485 1 1 12 THR HB H 9.466 -3.169 6.065 1.00 . A A . 11 THR HB 1 1 6 2486 1 1 12 THR HG1 H 10.953 -4.614 6.752 1.00 . A A . 11 THR HG1 1 1 6 2487 1 1 12 THR HG21 H 11.191 -1.722 5.052 1.00 . A A . 11 THR HG21 1 1 6 2488 1 1 12 THR HG22 H 11.538 -1.049 6.645 1.00 . A A . 11 THR HG22 1 1 6 2489 1 1 12 THR HG23 H 9.957 -0.796 5.906 1.00 . A A . 11 THR HG23 1 1 6 2490 1 1 12 THR N N 8.329 -2.909 8.209 1.00 . A A . 11 THR N 1 1 6 2491 1 1 12 THR O O 10.855 -0.567 8.975 1.00 . A A . 11 THR O 1 1 6 2492 1 1 12 THR OG1 O 11.324 -3.730 6.742 1.00 . A A . 11 THR OG1 1 1 6 2493 1 1 13 CYS C C 7.745 1.651 9.104 1.00 . A A . 12 CYS C 1 1 6 2494 1 1 13 CYS CA C 8.893 1.227 8.194 1.00 . A A . 12 CYS CA 1 1 6 2495 1 1 13 CYS CB C 8.803 1.974 6.861 1.00 . A A . 12 CYS CB 1 1 6 2496 1 1 13 CYS H H 8.111 -0.613 7.501 1.00 . A A . 12 CYS H 1 1 6 2497 1 1 13 CYS HA H 9.827 1.477 8.672 1.00 . A A . 12 CYS HA 1 1 6 2498 1 1 13 CYS HB2 H 9.330 2.913 6.946 1.00 . A A . 12 CYS HB2 1 1 6 2499 1 1 13 CYS HB3 H 9.267 1.376 6.090 1.00 . A A . 12 CYS HB3 1 1 6 2500 1 1 13 CYS N N 8.874 -0.213 7.969 1.00 . A A . 12 CYS N 1 1 6 2501 1 1 13 CYS O O 7.668 2.805 9.529 1.00 . A A . 12 CYS O 1 1 6 2502 1 1 13 CYS SG S 7.100 2.341 6.328 1.00 . A A . 12 CYS SG 1 1 6 2503 1 1 14 LEU C C 4.821 2.067 9.659 1.00 . A A . 13 LEU C 1 1 6 2504 1 1 14 LEU CA C 5.711 0.986 10.264 1.00 . A A . 13 LEU CA 1 1 6 2505 1 1 14 LEU CB C 6.185 1.416 11.652 1.00 . A A . 13 LEU CB 1 1 6 2506 1 1 14 LEU CD1 C 7.724 -0.452 12.304 1.00 . A A . 13 LEU CD1 1 1 6 2507 1 1 14 LEU CD2 C 6.513 0.840 14.071 1.00 . A A . 13 LEU CD2 1 1 6 2508 1 1 14 LEU CG C 6.443 0.290 12.653 1.00 . A A . 13 LEU CG 1 1 6 2509 1 1 14 LEU H H 6.970 -0.190 9.035 1.00 . A A . 13 LEU H 1 1 6 2510 1 1 14 LEU HA H 5.138 0.074 10.355 1.00 . A A . 13 LEU HA 1 1 6 2511 1 1 14 LEU HB2 H 7.105 1.968 11.532 1.00 . A A . 13 LEU HB2 1 1 6 2512 1 1 14 LEU HB3 H 5.430 2.066 12.072 1.00 . A A . 13 LEU HB3 1 1 6 2513 1 1 14 LEU HD11 H 7.662 -1.467 12.668 1.00 . A A . 13 LEU HD11 1 1 6 2514 1 1 14 LEU HD12 H 8.564 0.046 12.764 1.00 . A A . 13 LEU HD12 1 1 6 2515 1 1 14 LEU HD13 H 7.854 -0.460 11.232 1.00 . A A . 13 LEU HD13 1 1 6 2516 1 1 14 LEU HD21 H 6.114 1.844 14.087 1.00 . A A . 13 LEU HD21 1 1 6 2517 1 1 14 LEU HD22 H 7.541 0.857 14.400 1.00 . A A . 13 LEU HD22 1 1 6 2518 1 1 14 LEU HD23 H 5.932 0.212 14.730 1.00 . A A . 13 LEU HD23 1 1 6 2519 1 1 14 LEU HG H 5.625 -0.418 12.608 1.00 . A A . 13 LEU HG 1 1 6 2520 1 1 14 LEU N N 6.855 0.711 9.402 1.00 . A A . 13 LEU N 1 1 6 2521 1 1 14 LEU O O 4.849 3.221 10.089 1.00 . A A . 13 LEU O 1 1 6 2522 1 1 15 VAL C C 1.944 1.896 7.374 1.00 . A A . 14 VAL C 1 1 6 2523 1 1 15 VAL CA C 3.130 2.623 8.000 1.00 . A A . 14 VAL CA 1 1 6 2524 1 1 15 VAL CB C 3.860 3.426 6.906 1.00 . A A . 14 VAL CB 1 1 6 2525 1 1 15 VAL CG1 C 2.862 4.188 6.047 1.00 . A A . 14 VAL CG1 1 1 6 2526 1 1 15 VAL CG2 C 4.872 4.375 7.530 1.00 . A A . 14 VAL CG2 1 1 6 2527 1 1 15 VAL H H 4.053 0.754 8.363 1.00 . A A . 14 VAL H 1 1 6 2528 1 1 15 VAL HA H 2.764 3.316 8.743 1.00 . A A . 14 VAL HA 1 1 6 2529 1 1 15 VAL HB H 4.391 2.733 6.272 1.00 . A A . 14 VAL HB 1 1 6 2530 1 1 15 VAL HG11 H 1.867 4.055 6.448 1.00 . A A . 14 VAL HG11 1 1 6 2531 1 1 15 VAL HG12 H 3.114 5.238 6.048 1.00 . A A . 14 VAL HG12 1 1 6 2532 1 1 15 VAL HG13 H 2.896 3.810 5.036 1.00 . A A . 14 VAL HG13 1 1 6 2533 1 1 15 VAL HG21 H 5.601 3.806 8.087 1.00 . A A . 14 VAL HG21 1 1 6 2534 1 1 15 VAL HG22 H 5.371 4.933 6.750 1.00 . A A . 14 VAL HG22 1 1 6 2535 1 1 15 VAL HG23 H 4.365 5.059 8.193 1.00 . A A . 14 VAL HG23 1 1 6 2536 1 1 15 VAL N N 4.031 1.686 8.661 1.00 . A A . 14 VAL N 1 1 6 2537 1 1 15 VAL O O 2.115 0.905 6.665 1.00 . A A . 14 VAL O 1 1 6 2538 1 1 16 GLN C C -0.743 2.286 5.687 1.00 . A A . 15 GLN C 1 1 6 2539 1 1 16 GLN CA C -0.472 1.795 7.106 1.00 . A A . 15 GLN CA 1 1 6 2540 1 1 16 GLN CB C -1.667 2.115 8.006 1.00 . A A . 15 GLN CB 1 1 6 2541 1 1 16 GLN CD C -0.848 2.149 10.397 1.00 . A A . 15 GLN CD 1 1 6 2542 1 1 16 GLN CG C -1.631 1.391 9.343 1.00 . A A . 15 GLN CG 1 1 6 2543 1 1 16 GLN H H 0.671 3.189 8.215 1.00 . A A . 15 GLN H 1 1 6 2544 1 1 16 GLN HA H -0.329 0.724 7.081 1.00 . A A . 15 GLN HA 1 1 6 2545 1 1 16 GLN HB2 H -1.684 3.178 8.197 1.00 . A A . 15 GLN HB2 1 1 6 2546 1 1 16 GLN HB3 H -2.574 1.834 7.493 1.00 . A A . 15 GLN HB3 1 1 6 2547 1 1 16 GLN HE21 H 0.686 0.902 10.189 1.00 . A A . 15 GLN HE21 1 1 6 2548 1 1 16 GLN HE22 H 0.896 2.163 11.350 1.00 . A A . 15 GLN HE22 1 1 6 2549 1 1 16 GLN HG2 H -2.645 1.261 9.695 1.00 . A A . 15 GLN HG2 1 1 6 2550 1 1 16 GLN HG3 H -1.174 0.424 9.202 1.00 . A A . 15 GLN HG3 1 1 6 2551 1 1 16 GLN N N 0.742 2.396 7.643 1.00 . A A . 15 GLN N 1 1 6 2552 1 1 16 GLN NE2 N 0.366 1.692 10.674 1.00 . A A . 15 GLN NE2 1 1 6 2553 1 1 16 GLN O O -0.434 3.427 5.346 1.00 . A A . 15 GLN O 1 1 6 2554 1 1 16 GLN OE1 O -1.330 3.135 10.955 1.00 . A A . 15 GLN OE1 1 1 6 2555 1 1 17 ASN C C -2.955 1.135 3.050 1.00 . A A . 16 ASN C 1 1 6 2556 1 1 17 ASN CA C -1.634 1.763 3.484 1.00 . A A . 16 ASN CA 1 1 6 2557 1 1 17 ASN CB C -0.509 1.304 2.554 1.00 . A A . 16 ASN CB 1 1 6 2558 1 1 17 ASN CG C 0.846 1.319 3.235 1.00 . A A . 16 ASN CG 1 1 6 2559 1 1 17 ASN H H -1.545 0.521 5.196 1.00 . A A . 16 ASN H 1 1 6 2560 1 1 17 ASN HA H -1.723 2.838 3.424 1.00 . A A . 16 ASN HA 1 1 6 2561 1 1 17 ASN HB2 H -0.712 0.296 2.224 1.00 . A A . 16 ASN HB2 1 1 6 2562 1 1 17 ASN HB3 H -0.468 1.959 1.697 1.00 . A A . 16 ASN HB3 1 1 6 2563 1 1 17 ASN HD21 H 0.262 -0.116 4.482 1.00 . A A . 16 ASN HD21 1 1 6 2564 1 1 17 ASN HD22 H 1.878 0.456 4.699 1.00 . A A . 16 ASN HD22 1 1 6 2565 1 1 17 ASN N N -1.322 1.417 4.866 1.00 . A A . 16 ASN N 1 1 6 2566 1 1 17 ASN ND2 N 1.013 0.467 4.240 1.00 . A A . 16 ASN ND2 1 1 6 2567 1 1 17 ASN O O -3.403 0.143 3.628 1.00 . A A . 16 ASN O 1 1 6 2568 1 1 17 ASN OD1 O 1.732 2.088 2.862 1.00 . A A . 16 ASN OD1 1 1 6 2569 1 1 18 LYS C C -4.647 -0.102 0.774 1.00 . A A . 17 LYS C 1 1 6 2570 1 1 18 LYS CA C -4.843 1.215 1.516 1.00 . A A . 17 LYS CA 1 1 6 2571 1 1 18 LYS CB C -5.485 2.247 0.585 1.00 . A A . 17 LYS CB 1 1 6 2572 1 1 18 LYS CD C -5.774 3.028 -1.785 1.00 . A A . 17 LYS CD 1 1 6 2573 1 1 18 LYS CE C -5.883 4.491 -1.378 1.00 . A A . 17 LYS CE 1 1 6 2574 1 1 18 LYS CG C -4.902 2.245 -0.818 1.00 . A A . 17 LYS CG 1 1 6 2575 1 1 18 LYS H H -3.168 2.506 1.611 1.00 . A A . 17 LYS H 1 1 6 2576 1 1 18 LYS HA H -5.499 1.046 2.358 1.00 . A A . 17 LYS HA 1 1 6 2577 1 1 18 LYS HB2 H -6.543 2.041 0.514 1.00 . A A . 17 LYS HB2 1 1 6 2578 1 1 18 LYS HB3 H -5.346 3.231 1.008 1.00 . A A . 17 LYS HB3 1 1 6 2579 1 1 18 LYS HD2 H -5.341 2.972 -2.773 1.00 . A A . 17 LYS HD2 1 1 6 2580 1 1 18 LYS HD3 H -6.763 2.594 -1.797 1.00 . A A . 17 LYS HD3 1 1 6 2581 1 1 18 LYS HE2 H -6.401 4.551 -0.434 1.00 . A A . 17 LYS HE2 1 1 6 2582 1 1 18 LYS HE3 H -4.886 4.895 -1.268 1.00 . A A . 17 LYS HE3 1 1 6 2583 1 1 18 LYS HG2 H -3.921 2.694 -0.790 1.00 . A A . 17 LYS HG2 1 1 6 2584 1 1 18 LYS HG3 H -4.824 1.225 -1.164 1.00 . A A . 17 LYS HG3 1 1 6 2585 1 1 18 LYS HZ1 H -7.602 5.448 -2.077 1.00 . A A . 17 LYS HZ1 1 1 6 2586 1 1 18 LYS HZ2 H -6.636 4.794 -3.302 1.00 . A A . 17 LYS HZ2 1 1 6 2587 1 1 18 LYS HZ3 H -6.161 6.218 -2.520 1.00 . A A . 17 LYS HZ3 1 1 6 2588 1 1 18 LYS N N -3.575 1.718 2.030 1.00 . A A . 17 LYS N 1 1 6 2589 1 1 18 LYS NZ N -6.622 5.294 -2.391 1.00 . A A . 17 LYS NZ 1 1 6 2590 1 1 18 LYS O O -3.615 -0.340 0.145 1.00 . A A . 17 LYS O 1 1 6 2591 1 1 19 PRO C C -5.698 -2.172 -1.333 1.00 . A A . 18 PRO C 1 1 6 2592 1 1 19 PRO CA C -5.619 -2.288 0.185 1.00 . A A . 18 PRO CA 1 1 6 2593 1 1 19 PRO CB C -6.861 -2.998 0.732 1.00 . A A . 18 PRO CB 1 1 6 2594 1 1 19 PRO CD C -6.918 -0.763 1.578 1.00 . A A . 18 PRO CD 1 1 6 2595 1 1 19 PRO CG C -7.789 -1.898 1.115 1.00 . A A . 18 PRO CG 1 1 6 2596 1 1 19 PRO HA H -4.735 -2.844 0.457 1.00 . A A . 18 PRO HA 1 1 6 2597 1 1 19 PRO HB2 H -7.287 -3.626 -0.038 1.00 . A A . 18 PRO HB2 1 1 6 2598 1 1 19 PRO HB3 H -6.588 -3.599 1.586 1.00 . A A . 18 PRO HB3 1 1 6 2599 1 1 19 PRO HD2 H -7.360 0.185 1.311 1.00 . A A . 18 PRO HD2 1 1 6 2600 1 1 19 PRO HD3 H -6.758 -0.821 2.644 1.00 . A A . 18 PRO HD3 1 1 6 2601 1 1 19 PRO HG2 H -8.375 -1.597 0.260 1.00 . A A . 18 PRO HG2 1 1 6 2602 1 1 19 PRO HG3 H -8.434 -2.225 1.917 1.00 . A A . 18 PRO HG3 1 1 6 2603 1 1 19 PRO N N -5.659 -0.980 0.846 1.00 . A A . 18 PRO N 1 1 6 2604 1 1 19 PRO O O -5.496 -3.151 -2.051 1.00 . A A . 18 PRO O 1 1 6 2605 1 1 20 GLU C C -4.738 -0.379 -3.846 1.00 . A A . 19 GLU C 1 1 6 2606 1 1 20 GLU CA C -6.100 -0.728 -3.251 1.00 . A A . 19 GLU CA 1 1 6 2607 1 1 20 GLU CB C -7.094 0.402 -3.528 1.00 . A A . 19 GLU CB 1 1 6 2608 1 1 20 GLU CD C -9.297 1.477 -2.915 1.00 . A A . 19 GLU CD 1 1 6 2609 1 1 20 GLU CG C -8.224 0.480 -2.516 1.00 . A A . 19 GLU CG 1 1 6 2610 1 1 20 GLU H H -6.145 -0.228 -1.194 1.00 . A A . 19 GLU H 1 1 6 2611 1 1 20 GLU HA H -6.460 -1.633 -3.714 1.00 . A A . 19 GLU HA 1 1 6 2612 1 1 20 GLU HB2 H -6.563 1.342 -3.518 1.00 . A A . 19 GLU HB2 1 1 6 2613 1 1 20 GLU HB3 H -7.525 0.254 -4.508 1.00 . A A . 19 GLU HB3 1 1 6 2614 1 1 20 GLU HG2 H -8.678 -0.496 -2.426 1.00 . A A . 19 GLU HG2 1 1 6 2615 1 1 20 GLU HG3 H -7.816 0.776 -1.561 1.00 . A A . 19 GLU HG3 1 1 6 2616 1 1 20 GLU N N -5.994 -0.969 -1.817 1.00 . A A . 19 GLU N 1 1 6 2617 1 1 20 GLU O O -4.592 -0.266 -5.062 1.00 . A A . 19 GLU O 1 1 6 2618 1 1 20 GLU OE1 O -8.970 2.673 -3.057 1.00 . A A . 19 GLU OE1 1 1 6 2619 1 1 20 GLU OE2 O -10.461 1.059 -3.084 1.00 . A A . 19 GLU OE2 1 1 6 2620 1 1 21 ALA C C -1.598 -1.136 -3.741 1.00 . A A . 20 ALA C 1 1 6 2621 1 1 21 ALA CA C -2.397 0.123 -3.417 1.00 . A A . 20 ALA CA 1 1 6 2622 1 1 21 ALA CB C -1.683 0.942 -2.352 1.00 . A A . 20 ALA CB 1 1 6 2623 1 1 21 ALA H H -3.926 -0.315 -2.021 1.00 . A A . 20 ALA H 1 1 6 2624 1 1 21 ALA HA H -2.475 0.727 -4.309 1.00 . A A . 20 ALA HA 1 1 6 2625 1 1 21 ALA HB1 H -1.594 0.358 -1.448 1.00 . A A . 20 ALA HB1 1 1 6 2626 1 1 21 ALA HB2 H -0.699 1.212 -2.705 1.00 . A A . 20 ALA HB2 1 1 6 2627 1 1 21 ALA HB3 H -2.251 1.838 -2.148 1.00 . A A . 20 ALA HB3 1 1 6 2628 1 1 21 ALA N N -3.746 -0.211 -2.978 1.00 . A A . 20 ALA N 1 1 6 2629 1 1 21 ALA O O -2.053 -2.253 -3.491 1.00 . A A . 20 ALA O 1 1 6 2630 1 1 22 ILE C C 1.728 -2.071 -3.821 1.00 . A A . 21 ILE C 1 1 6 2631 1 1 22 ILE CA C 0.454 -2.068 -4.657 1.00 . A A . 21 ILE CA 1 1 6 2632 1 1 22 ILE CB C 0.833 -2.032 -6.150 1.00 . A A . 21 ILE CB 1 1 6 2633 1 1 22 ILE CD1 C -0.208 -1.744 -8.454 1.00 . A A . 21 ILE CD1 1 1 6 2634 1 1 22 ILE CG1 C -0.418 -2.175 -7.019 1.00 . A A . 21 ILE CG1 1 1 6 2635 1 1 22 ILE CG2 C 1.835 -3.132 -6.468 1.00 . A A . 21 ILE CG2 1 1 6 2636 1 1 22 ILE H H -0.100 -0.033 -4.474 1.00 . A A . 21 ILE H 1 1 6 2637 1 1 22 ILE HA H -0.091 -2.982 -4.466 1.00 . A A . 21 ILE HA 1 1 6 2638 1 1 22 ILE HB H 1.301 -1.082 -6.356 1.00 . A A . 21 ILE HB 1 1 6 2639 1 1 22 ILE HD11 H 0.678 -1.130 -8.520 1.00 . A A . 21 ILE HD11 1 1 6 2640 1 1 22 ILE HD12 H -0.090 -2.617 -9.079 1.00 . A A . 21 ILE HD12 1 1 6 2641 1 1 22 ILE HD13 H -1.064 -1.176 -8.788 1.00 . A A . 21 ILE HD13 1 1 6 2642 1 1 22 ILE HG12 H -0.729 -3.207 -7.025 1.00 . A A . 21 ILE HG12 1 1 6 2643 1 1 22 ILE HG13 H -1.208 -1.567 -6.603 1.00 . A A . 21 ILE HG13 1 1 6 2644 1 1 22 ILE HG21 H 1.471 -4.072 -6.080 1.00 . A A . 21 ILE HG21 1 1 6 2645 1 1 22 ILE HG22 H 1.956 -3.208 -7.538 1.00 . A A . 21 ILE HG22 1 1 6 2646 1 1 22 ILE HG23 H 2.784 -2.898 -6.013 1.00 . A A . 21 ILE HG23 1 1 6 2647 1 1 22 ILE N N -0.407 -0.948 -4.299 1.00 . A A . 21 ILE N 1 1 6 2648 1 1 22 ILE O O 2.463 -3.058 -3.790 1.00 . A A . 21 ILE O 1 1 6 2649 1 1 23 LYS C C 2.931 0.163 -1.168 1.00 . A A . 22 LYS C 1 1 6 2650 1 1 23 LYS CA C 3.170 -0.833 -2.299 1.00 . A A . 22 LYS CA 1 1 6 2651 1 1 23 LYS CB C 4.371 -0.390 -3.138 1.00 . A A . 22 LYS CB 1 1 6 2652 1 1 23 LYS CD C 5.225 1.132 -4.944 1.00 . A A . 22 LYS CD 1 1 6 2653 1 1 23 LYS CE C 5.334 -0.017 -5.934 1.00 . A A . 22 LYS CE 1 1 6 2654 1 1 23 LYS CG C 4.126 0.886 -3.924 1.00 . A A . 22 LYS CG 1 1 6 2655 1 1 23 LYS H H 1.363 -0.205 -3.204 1.00 . A A . 22 LYS H 1 1 6 2656 1 1 23 LYS HA H 3.379 -1.802 -1.871 1.00 . A A . 22 LYS HA 1 1 6 2657 1 1 23 LYS HB2 H 5.213 -0.227 -2.481 1.00 . A A . 22 LYS HB2 1 1 6 2658 1 1 23 LYS HB3 H 4.617 -1.177 -3.836 1.00 . A A . 22 LYS HB3 1 1 6 2659 1 1 23 LYS HD2 H 5.005 2.040 -5.486 1.00 . A A . 22 LYS HD2 1 1 6 2660 1 1 23 LYS HD3 H 6.168 1.240 -4.426 1.00 . A A . 22 LYS HD3 1 1 6 2661 1 1 23 LYS HE2 H 5.887 0.320 -6.798 1.00 . A A . 22 LYS HE2 1 1 6 2662 1 1 23 LYS HE3 H 5.863 -0.832 -5.463 1.00 . A A . 22 LYS HE3 1 1 6 2663 1 1 23 LYS HG2 H 3.182 0.805 -4.441 1.00 . A A . 22 LYS HG2 1 1 6 2664 1 1 23 LYS HG3 H 4.092 1.720 -3.237 1.00 . A A . 22 LYS HG3 1 1 6 2665 1 1 23 LYS HZ1 H 3.332 0.301 -6.440 1.00 . A A . 22 LYS HZ1 1 1 6 2666 1 1 23 LYS HZ2 H 3.620 -1.188 -5.692 1.00 . A A . 22 LYS HZ2 1 1 6 2667 1 1 23 LYS HZ3 H 4.067 -0.953 -7.306 1.00 . A A . 22 LYS HZ3 1 1 6 2668 1 1 23 LYS N N 1.985 -0.959 -3.140 1.00 . A A . 22 LYS N 1 1 6 2669 1 1 23 LYS NZ N 3.995 -0.499 -6.374 1.00 . A A . 22 LYS NZ 1 1 6 2670 1 1 23 LYS O O 1.845 0.731 -1.046 1.00 . A A . 22 LYS O 1 1 6 2671 1 1 24 CYS C C 3.926 2.745 0.293 1.00 . A A . 23 CYS C 1 1 6 2672 1 1 24 CYS CA C 3.853 1.300 0.776 1.00 . A A . 23 CYS CA 1 1 6 2673 1 1 24 CYS CB C 4.971 1.032 1.786 1.00 . A A . 23 CYS CB 1 1 6 2674 1 1 24 CYS H H 4.793 -0.110 -0.492 1.00 . A A . 23 CYS H 1 1 6 2675 1 1 24 CYS HA H 2.900 1.141 1.256 1.00 . A A . 23 CYS HA 1 1 6 2676 1 1 24 CYS HB2 H 5.232 -0.016 1.753 1.00 . A A . 23 CYS HB2 1 1 6 2677 1 1 24 CYS HB3 H 5.836 1.622 1.520 1.00 . A A . 23 CYS HB3 1 1 6 2678 1 1 24 CYS N N 3.952 0.372 -0.344 1.00 . A A . 23 CYS N 1 1 6 2679 1 1 24 CYS O O 4.543 3.039 -0.731 1.00 . A A . 23 CYS O 1 1 6 2680 1 1 24 CYS SG S 4.531 1.438 3.507 1.00 . A A . 23 CYS SG 1 1 6 2681 1 1 25 VAL C C 4.294 5.839 1.520 1.00 . A A . 24 VAL C 1 1 6 2682 1 1 25 VAL CA C 3.282 5.060 0.686 1.00 . A A . 24 VAL CA 1 1 6 2683 1 1 25 VAL CB C 1.886 5.679 0.882 1.00 . A A . 24 VAL CB 1 1 6 2684 1 1 25 VAL CG1 C 1.545 5.769 2.362 1.00 . A A . 24 VAL CG1 1 1 6 2685 1 1 25 VAL CG2 C 1.814 7.050 0.225 1.00 . A A . 24 VAL CG2 1 1 6 2686 1 1 25 VAL H H 2.815 3.350 1.842 1.00 . A A . 24 VAL H 1 1 6 2687 1 1 25 VAL HA H 3.548 5.146 -0.358 1.00 . A A . 24 VAL HA 1 1 6 2688 1 1 25 VAL HB H 1.159 5.037 0.406 1.00 . A A . 24 VAL HB 1 1 6 2689 1 1 25 VAL HG11 H 2.063 4.989 2.898 1.00 . A A . 24 VAL HG11 1 1 6 2690 1 1 25 VAL HG12 H 1.848 6.733 2.743 1.00 . A A . 24 VAL HG12 1 1 6 2691 1 1 25 VAL HG13 H 0.480 5.649 2.492 1.00 . A A . 24 VAL HG13 1 1 6 2692 1 1 25 VAL HG21 H 2.207 7.794 0.902 1.00 . A A . 24 VAL HG21 1 1 6 2693 1 1 25 VAL HG22 H 2.400 7.046 -0.682 1.00 . A A . 24 VAL HG22 1 1 6 2694 1 1 25 VAL HG23 H 0.787 7.283 -0.010 1.00 . A A . 24 VAL HG23 1 1 6 2695 1 1 25 VAL N N 3.291 3.645 1.037 1.00 . A A . 24 VAL N 1 1 6 2696 1 1 25 VAL O O 4.196 7.058 1.653 1.00 . A A . 24 VAL O 1 1 6 2697 1 1 26 ALA C C 7.674 5.188 2.569 1.00 . A A . 25 ALA C 1 1 6 2698 1 1 26 ALA CA C 6.295 5.750 2.900 1.00 . A A . 25 ALA CA 1 1 6 2699 1 1 26 ALA CB C 5.985 5.555 4.378 1.00 . A A . 25 ALA CB 1 1 6 2700 1 1 26 ALA H H 5.289 4.156 1.938 1.00 . A A . 25 ALA H 1 1 6 2701 1 1 26 ALA HA H 6.290 6.809 2.694 1.00 . A A . 25 ALA HA 1 1 6 2702 1 1 26 ALA HB1 H 6.819 5.905 4.968 1.00 . A A . 25 ALA HB1 1 1 6 2703 1 1 26 ALA HB2 H 5.099 6.116 4.636 1.00 . A A . 25 ALA HB2 1 1 6 2704 1 1 26 ALA HB3 H 5.819 4.506 4.575 1.00 . A A . 25 ALA HB3 1 1 6 2705 1 1 26 ALA N N 5.264 5.125 2.081 1.00 . A A . 25 ALA N 1 1 6 2706 1 1 26 ALA O O 8.636 5.938 2.400 1.00 . A A . 25 ALA O 1 1 6 2707 1 1 27 CYS C C 8.985 2.582 0.776 1.00 . A A . 26 CYS C 1 1 6 2708 1 1 27 CYS CA C 9.025 3.203 2.169 1.00 . A A . 26 CYS CA 1 1 6 2709 1 1 27 CYS CB C 9.329 2.125 3.212 1.00 . A A . 26 CYS CB 1 1 6 2710 1 1 27 CYS H H 6.961 3.320 2.625 1.00 . A A . 26 CYS H 1 1 6 2711 1 1 27 CYS HA H 9.806 3.948 2.195 1.00 . A A . 26 CYS HA 1 1 6 2712 1 1 27 CYS HB2 H 10.370 1.846 3.136 1.00 . A A . 26 CYS HB2 1 1 6 2713 1 1 27 CYS HB3 H 9.140 2.526 4.197 1.00 . A A . 26 CYS HB3 1 1 6 2714 1 1 27 CYS N N 7.764 3.866 2.479 1.00 . A A . 26 CYS N 1 1 6 2715 1 1 27 CYS O O 10.014 2.165 0.243 1.00 . A A . 26 CYS O 1 1 6 2716 1 1 27 CYS SG S 8.334 0.611 3.027 1.00 . A A . 26 CYS SG 1 1 6 2717 1 1 28 GLU C C 7.824 0.441 -1.111 1.00 . A A . 27 GLU C 1 1 6 2718 1 1 28 GLU CA C 7.619 1.953 -1.137 1.00 . A A . 27 GLU CA 1 1 6 2719 1 1 28 GLU CB C 8.599 2.594 -2.122 1.00 . A A . 27 GLU CB 1 1 6 2720 1 1 28 GLU CD C 9.823 4.515 -1.030 1.00 . A A . 27 GLU CD 1 1 6 2721 1 1 28 GLU CG C 8.712 4.102 -1.975 1.00 . A A . 27 GLU CG 1 1 6 2722 1 1 28 GLU H H 7.010 2.872 0.670 1.00 . A A . 27 GLU H 1 1 6 2723 1 1 28 GLU HA H 6.611 2.163 -1.459 1.00 . A A . 27 GLU HA 1 1 6 2724 1 1 28 GLU HB2 H 9.578 2.164 -1.969 1.00 . A A . 27 GLU HB2 1 1 6 2725 1 1 28 GLU HB3 H 8.273 2.375 -3.128 1.00 . A A . 27 GLU HB3 1 1 6 2726 1 1 28 GLU HG2 H 8.908 4.532 -2.946 1.00 . A A . 27 GLU HG2 1 1 6 2727 1 1 28 GLU HG3 H 7.775 4.484 -1.596 1.00 . A A . 27 GLU HG3 1 1 6 2728 1 1 28 GLU N N 7.792 2.524 0.194 1.00 . A A . 27 GLU N 1 1 6 2729 1 1 28 GLU O O 8.374 -0.139 -2.047 1.00 . A A . 27 GLU O 1 1 6 2730 1 1 28 GLU OE1 O 10.992 4.167 -1.300 1.00 . A A . 27 GLU OE1 1 1 6 2731 1 1 28 GLU OE2 O 9.524 5.185 -0.020 1.00 . A A . 27 GLU OE2 1 1 6 2732 1 1 29 THR C C 6.531 -2.376 -0.785 1.00 . A A . 28 THR C 1 1 6 2733 1 1 29 THR CA C 7.509 -1.636 0.119 1.00 . A A . 28 THR CA 1 1 6 2734 1 1 29 THR CB C 7.275 -2.073 1.578 1.00 . A A . 28 THR CB 1 1 6 2735 1 1 29 THR CG2 C 6.402 -3.318 1.636 1.00 . A A . 28 THR CG2 1 1 6 2736 1 1 29 THR H H 6.945 0.326 0.681 1.00 . A A . 28 THR H 1 1 6 2737 1 1 29 THR HA H 8.517 -1.908 -0.158 1.00 . A A . 28 THR HA 1 1 6 2738 1 1 29 THR HB H 6.770 -1.273 2.100 1.00 . A A . 28 THR HB 1 1 6 2739 1 1 29 THR HG1 H 8.793 -3.239 2.050 1.00 . A A . 28 THR HG1 1 1 6 2740 1 1 29 THR HG21 H 5.383 -3.055 1.396 1.00 . A A . 28 THR HG21 1 1 6 2741 1 1 29 THR HG22 H 6.443 -3.740 2.629 1.00 . A A . 28 THR HG22 1 1 6 2742 1 1 29 THR HG23 H 6.763 -4.043 0.922 1.00 . A A . 28 THR HG23 1 1 6 2743 1 1 29 THR N N 7.375 -0.192 -0.031 1.00 . A A . 28 THR N 1 1 6 2744 1 1 29 THR O O 5.404 -1.935 -1.014 1.00 . A A . 28 THR O 1 1 6 2745 1 1 29 THR OG1 O 8.528 -2.332 2.219 1.00 . A A . 28 THR OG1 1 1 6 2746 1 1 30 PRO C C 4.983 -5.017 -1.463 1.00 . A A . 29 PRO C 1 1 6 2747 1 1 30 PRO CA C 6.143 -4.357 -2.198 1.00 . A A . 29 PRO CA 1 1 6 2748 1 1 30 PRO CB C 7.124 -5.414 -2.710 1.00 . A A . 29 PRO CB 1 1 6 2749 1 1 30 PRO CD C 8.297 -4.116 -1.082 1.00 . A A . 29 PRO CD 1 1 6 2750 1 1 30 PRO CG C 8.172 -5.501 -1.655 1.00 . A A . 29 PRO CG 1 1 6 2751 1 1 30 PRO HA H 5.761 -3.785 -3.032 1.00 . A A . 29 PRO HA 1 1 6 2752 1 1 30 PRO HB2 H 6.608 -6.356 -2.835 1.00 . A A . 29 PRO HB2 1 1 6 2753 1 1 30 PRO HB3 H 7.540 -5.098 -3.655 1.00 . A A . 29 PRO HB3 1 1 6 2754 1 1 30 PRO HD2 H 8.521 -4.164 -0.026 1.00 . A A . 29 PRO HD2 1 1 6 2755 1 1 30 PRO HD3 H 9.060 -3.559 -1.606 1.00 . A A . 29 PRO HD3 1 1 6 2756 1 1 30 PRO HG2 H 7.866 -6.197 -0.890 1.00 . A A . 29 PRO HG2 1 1 6 2757 1 1 30 PRO HG3 H 9.109 -5.810 -2.094 1.00 . A A . 29 PRO HG3 1 1 6 2758 1 1 30 PRO N N 6.966 -3.530 -1.312 1.00 . A A . 29 PRO N 1 1 6 2759 1 1 30 PRO O O 5.185 -5.896 -0.623 1.00 . A A . 29 PRO O 1 1 6 2760 1 1 31 LYS C C 2.603 -6.668 -1.170 1.00 . A A . 30 LYS C 1 1 6 2761 1 1 31 LYS CA C 2.571 -5.144 -1.154 1.00 . A A . 30 LYS CA 1 1 6 2762 1 1 31 LYS CB C 1.315 -4.641 -1.868 1.00 . A A . 30 LYS CB 1 1 6 2763 1 1 31 LYS CD C -1.042 -5.259 -2.480 1.00 . A A . 30 LYS CD 1 1 6 2764 1 1 31 LYS CE C -2.389 -4.884 -1.882 1.00 . A A . 30 LYS CE 1 1 6 2765 1 1 31 LYS CG C 0.040 -5.333 -1.416 1.00 . A A . 30 LYS CG 1 1 6 2766 1 1 31 LYS H H 3.668 -3.889 -2.460 1.00 . A A . 30 LYS H 1 1 6 2767 1 1 31 LYS HA H 2.551 -4.807 -0.128 1.00 . A A . 30 LYS HA 1 1 6 2768 1 1 31 LYS HB2 H 1.210 -3.582 -1.685 1.00 . A A . 30 LYS HB2 1 1 6 2769 1 1 31 LYS HB3 H 1.430 -4.803 -2.930 1.00 . A A . 30 LYS HB3 1 1 6 2770 1 1 31 LYS HD2 H -0.766 -4.514 -3.211 1.00 . A A . 30 LYS HD2 1 1 6 2771 1 1 31 LYS HD3 H -1.127 -6.223 -2.962 1.00 . A A . 30 LYS HD3 1 1 6 2772 1 1 31 LYS HE2 H -2.776 -5.734 -1.340 1.00 . A A . 30 LYS HE2 1 1 6 2773 1 1 31 LYS HE3 H -2.248 -4.058 -1.201 1.00 . A A . 30 LYS HE3 1 1 6 2774 1 1 31 LYS HG2 H 0.257 -6.370 -1.210 1.00 . A A . 30 LYS HG2 1 1 6 2775 1 1 31 LYS HG3 H -0.319 -4.852 -0.517 1.00 . A A . 30 LYS HG3 1 1 6 2776 1 1 31 LYS HZ1 H -3.600 -3.477 -2.839 1.00 . A A . 30 LYS HZ1 1 1 6 2777 1 1 31 LYS HZ2 H -4.246 -5.041 -2.825 1.00 . A A . 30 LYS HZ2 1 1 6 2778 1 1 31 LYS HZ3 H -2.974 -4.659 -3.874 1.00 . A A . 30 LYS HZ3 1 1 6 2779 1 1 31 LYS N N 3.765 -4.592 -1.783 1.00 . A A . 30 LYS N 1 1 6 2780 1 1 31 LYS NZ N -3.370 -4.488 -2.929 1.00 . A A . 30 LYS NZ 1 1 6 2781 1 1 31 LYS O O 3.061 -7.293 -2.127 1.00 . A A . 30 LYS O 1 1 6 2782 1 1 32 PRO C C 1.054 -9.382 -0.905 1.00 . A A . 31 PRO C 1 1 6 2783 1 1 32 PRO CA C 2.061 -8.743 0.044 1.00 . A A . 31 PRO CA 1 1 6 2784 1 1 32 PRO CB C 1.633 -8.955 1.499 1.00 . A A . 31 PRO CB 1 1 6 2785 1 1 32 PRO CD C 1.539 -6.602 1.089 1.00 . A A . 31 PRO CD 1 1 6 2786 1 1 32 PRO CG C 0.887 -7.716 1.859 1.00 . A A . 31 PRO CG 1 1 6 2787 1 1 32 PRO HA H 3.033 -9.184 -0.115 1.00 . A A . 31 PRO HA 1 1 6 2788 1 1 32 PRO HB2 H 1.004 -9.831 1.567 1.00 . A A . 31 PRO HB2 1 1 6 2789 1 1 32 PRO HB3 H 2.507 -9.083 2.119 1.00 . A A . 31 PRO HB3 1 1 6 2790 1 1 32 PRO HD2 H 0.805 -5.866 0.794 1.00 . A A . 31 PRO HD2 1 1 6 2791 1 1 32 PRO HD3 H 2.320 -6.142 1.678 1.00 . A A . 31 PRO HD3 1 1 6 2792 1 1 32 PRO HG2 H -0.148 -7.815 1.570 1.00 . A A . 31 PRO HG2 1 1 6 2793 1 1 32 PRO HG3 H 0.967 -7.535 2.921 1.00 . A A . 31 PRO HG3 1 1 6 2794 1 1 32 PRO N N 2.102 -7.284 -0.088 1.00 . A A . 31 PRO N 1 1 6 2795 1 1 32 PRO O O -0.064 -8.881 -1.024 1.00 . A A . 31 PRO O 1 1 6 2796 2 2 1 ZN ZN ZN 6.541 0.746 4.617 1.00 . B A . 32 ZN ZN 1 1 7 2797 1 1 2 HIS C C -15.126 6.909 4.469 1.00 . A A . 1 HIS C 1 1 7 2798 1 1 2 HIS CA C -16.369 7.763 4.238 1.00 . A A . 1 HIS CA 1 1 7 2799 1 1 2 HIS CB C -16.734 8.510 5.521 1.00 . A A . 1 HIS CB 1 1 7 2800 1 1 2 HIS CD2 C -19.076 9.436 4.901 1.00 . A A . 1 HIS CD2 1 1 7 2801 1 1 2 HIS CE1 C -18.705 11.555 5.323 1.00 . A A . 1 HIS CE1 1 1 7 2802 1 1 2 HIS CG C -17.796 9.548 5.329 1.00 . A A . 1 HIS CG 1 1 7 2803 1 1 2 HIS H H -17.770 6.178 4.345 1.00 . A A . 1 HIS H 1 1 7 2804 1 1 2 HIS HA H -16.158 8.481 3.461 1.00 . A A . 1 HIS HA 1 1 7 2805 1 1 2 HIS HB2 H -17.092 7.801 6.254 1.00 . A A . 1 HIS HB2 1 1 7 2806 1 1 2 HIS HB3 H -15.853 9.004 5.905 1.00 . A A . 1 HIS HB3 1 1 7 2807 1 1 2 HIS HD1 H -16.763 11.290 5.910 1.00 . A A . 1 HIS HD1 1 1 7 2808 1 1 2 HIS HD2 H -19.578 8.524 4.609 1.00 . A A . 1 HIS HD2 1 1 7 2809 1 1 2 HIS HE1 H -18.843 12.620 5.431 1.00 . A A . 1 HIS HE1 1 1 7 2810 1 1 2 HIS N N -17.489 6.940 3.796 1.00 . A A . 1 HIS N 1 1 7 2811 1 1 2 HIS ND1 N -17.595 10.888 5.584 1.00 . A A . 1 HIS ND1 1 1 7 2812 1 1 2 HIS NE2 N -19.619 10.696 4.906 1.00 . A A . 1 HIS NE2 1 1 7 2813 1 1 2 HIS O O -14.001 7.403 4.403 1.00 . A A . 1 HIS O 1 1 7 2814 1 1 3 MET C C -14.354 3.468 4.094 1.00 . A A . 2 MET C 1 1 7 2815 1 1 3 MET CA C -14.233 4.703 4.980 1.00 . A A . 2 MET CA 1 1 7 2816 1 1 3 MET CB C -14.199 4.287 6.452 1.00 . A A . 2 MET CB 1 1 7 2817 1 1 3 MET CE C -18.221 4.623 7.085 1.00 . A A . 2 MET CE 1 1 7 2818 1 1 3 MET CG C -15.555 3.872 6.998 1.00 . A A . 2 MET CG 1 1 7 2819 1 1 3 MET H H -16.257 5.289 4.780 1.00 . A A . 2 MET H 1 1 7 2820 1 1 3 MET HA H -13.314 5.217 4.739 1.00 . A A . 2 MET HA 1 1 7 2821 1 1 3 MET HB2 H -13.521 3.455 6.564 1.00 . A A . 2 MET HB2 1 1 7 2822 1 1 3 MET HB3 H -13.837 5.117 7.041 1.00 . A A . 2 MET HB3 1 1 7 2823 1 1 3 MET HE1 H -18.969 5.241 7.560 1.00 . A A . 2 MET HE1 1 1 7 2824 1 1 3 MET HE2 H -18.388 4.614 6.018 1.00 . A A . 2 MET HE2 1 1 7 2825 1 1 3 MET HE3 H -18.290 3.615 7.469 1.00 . A A . 2 MET HE3 1 1 7 2826 1 1 3 MET HG2 H -16.065 3.284 6.250 1.00 . A A . 2 MET HG2 1 1 7 2827 1 1 3 MET HG3 H -15.403 3.272 7.883 1.00 . A A . 2 MET HG3 1 1 7 2828 1 1 3 MET N N -15.338 5.625 4.741 1.00 . A A . 2 MET N 1 1 7 2829 1 1 3 MET O O -15.397 3.227 3.487 1.00 . A A . 2 MET O 1 1 7 2830 1 1 3 MET SD S -16.593 5.283 7.428 1.00 . A A . 2 MET SD 1 1 7 2831 1 1 4 VAL C C -13.135 0.233 4.083 1.00 . A A . 3 VAL C 1 1 7 2832 1 1 4 VAL CA C -13.266 1.477 3.211 1.00 . A A . 3 VAL CA 1 1 7 2833 1 1 4 VAL CB C -12.112 1.499 2.191 1.00 . A A . 3 VAL CB 1 1 7 2834 1 1 4 VAL CG1 C -12.391 0.533 1.050 1.00 . A A . 3 VAL CG1 1 1 7 2835 1 1 4 VAL CG2 C -11.893 2.910 1.665 1.00 . A A . 3 VAL CG2 1 1 7 2836 1 1 4 VAL H H -12.477 2.933 4.530 1.00 . A A . 3 VAL H 1 1 7 2837 1 1 4 VAL HA H -14.199 1.428 2.669 1.00 . A A . 3 VAL HA 1 1 7 2838 1 1 4 VAL HB H -11.210 1.181 2.691 1.00 . A A . 3 VAL HB 1 1 7 2839 1 1 4 VAL HG11 H -12.579 -0.452 1.450 1.00 . A A . 3 VAL HG11 1 1 7 2840 1 1 4 VAL HG12 H -13.255 0.869 0.495 1.00 . A A . 3 VAL HG12 1 1 7 2841 1 1 4 VAL HG13 H -11.534 0.496 0.393 1.00 . A A . 3 VAL HG13 1 1 7 2842 1 1 4 VAL HG21 H -11.811 3.595 2.496 1.00 . A A . 3 VAL HG21 1 1 7 2843 1 1 4 VAL HG22 H -10.985 2.940 1.081 1.00 . A A . 3 VAL HG22 1 1 7 2844 1 1 4 VAL HG23 H -12.729 3.196 1.044 1.00 . A A . 3 VAL HG23 1 1 7 2845 1 1 4 VAL N N -13.280 2.688 4.023 1.00 . A A . 3 VAL N 1 1 7 2846 1 1 4 VAL O O -13.216 -0.893 3.590 1.00 . A A . 3 VAL O 1 1 7 2847 1 1 5 ILE C C -11.732 -1.652 5.849 1.00 . A A . 4 ILE C 1 1 7 2848 1 1 5 ILE CA C -12.793 -0.661 6.319 1.00 . A A . 4 ILE CA 1 1 7 2849 1 1 5 ILE CB C -14.126 -1.408 6.514 1.00 . A A . 4 ILE CB 1 1 7 2850 1 1 5 ILE CD1 C -16.613 -1.050 6.920 1.00 . A A . 4 ILE CD1 1 1 7 2851 1 1 5 ILE CG1 C -15.291 -0.416 6.549 1.00 . A A . 4 ILE CG1 1 1 7 2852 1 1 5 ILE CG2 C -14.089 -2.235 7.790 1.00 . A A . 4 ILE CG2 1 1 7 2853 1 1 5 ILE H H -12.878 1.364 5.711 1.00 . A A . 4 ILE H 1 1 7 2854 1 1 5 ILE HA H -12.491 -0.252 7.272 1.00 . A A . 4 ILE HA 1 1 7 2855 1 1 5 ILE HB H -14.261 -2.081 5.681 1.00 . A A . 4 ILE HB 1 1 7 2856 1 1 5 ILE HD11 H -16.758 -0.980 7.988 1.00 . A A . 4 ILE HD11 1 1 7 2857 1 1 5 ILE HD12 H -17.414 -0.535 6.413 1.00 . A A . 4 ILE HD12 1 1 7 2858 1 1 5 ILE HD13 H -16.609 -2.089 6.625 1.00 . A A . 4 ILE HD13 1 1 7 2859 1 1 5 ILE HG12 H -15.077 0.354 7.273 1.00 . A A . 4 ILE HG12 1 1 7 2860 1 1 5 ILE HG13 H -15.399 0.034 5.573 1.00 . A A . 4 ILE HG13 1 1 7 2861 1 1 5 ILE HG21 H -14.639 -1.723 8.566 1.00 . A A . 4 ILE HG21 1 1 7 2862 1 1 5 ILE HG22 H -14.539 -3.199 7.608 1.00 . A A . 4 ILE HG22 1 1 7 2863 1 1 5 ILE HG23 H -13.064 -2.368 8.103 1.00 . A A . 4 ILE HG23 1 1 7 2864 1 1 5 ILE N N -12.933 0.443 5.379 1.00 . A A . 4 ILE N 1 1 7 2865 1 1 5 ILE O O -11.890 -2.863 5.997 1.00 . A A . 4 ILE O 1 1 7 2866 1 1 6 GLY C C -8.246 -1.258 4.744 1.00 . A A . 5 GLY C 1 1 7 2867 1 1 6 GLY CA C -9.577 -1.979 4.802 1.00 . A A . 5 GLY CA 1 1 7 2868 1 1 6 GLY H H -10.578 -0.154 5.192 1.00 . A A . 5 GLY H 1 1 7 2869 1 1 6 GLY HA2 H -9.486 -2.831 5.460 1.00 . A A . 5 GLY HA2 1 1 7 2870 1 1 6 GLY HA3 H -9.828 -2.327 3.811 1.00 . A A . 5 GLY HA3 1 1 7 2871 1 1 6 GLY N N -10.650 -1.127 5.283 1.00 . A A . 5 GLY N 1 1 7 2872 1 1 6 GLY O O -8.169 -0.112 4.299 1.00 . A A . 5 GLY O 1 1 7 2873 1 1 7 THR C C -4.826 -2.326 5.745 1.00 . A A . 6 THR C 1 1 7 2874 1 1 7 THR CA C -5.855 -1.344 5.198 1.00 . A A . 6 THR CA 1 1 7 2875 1 1 7 THR CB C -5.810 -0.050 6.033 1.00 . A A . 6 THR CB 1 1 7 2876 1 1 7 THR CG2 C -6.071 1.168 5.160 1.00 . A A . 6 THR CG2 1 1 7 2877 1 1 7 THR H H -7.315 -2.839 5.539 1.00 . A A . 6 THR H 1 1 7 2878 1 1 7 THR HA H -5.598 -1.098 4.177 1.00 . A A . 6 THR HA 1 1 7 2879 1 1 7 THR HB H -4.826 0.043 6.470 1.00 . A A . 6 THR HB 1 1 7 2880 1 1 7 THR HG1 H -6.400 -0.543 7.848 1.00 . A A . 6 THR HG1 1 1 7 2881 1 1 7 THR HG21 H -6.197 0.854 4.133 1.00 . A A . 6 THR HG21 1 1 7 2882 1 1 7 THR HG22 H -5.234 1.846 5.229 1.00 . A A . 6 THR HG22 1 1 7 2883 1 1 7 THR HG23 H -6.967 1.665 5.496 1.00 . A A . 6 THR HG23 1 1 7 2884 1 1 7 THR N N -7.191 -1.928 5.197 1.00 . A A . 6 THR N 1 1 7 2885 1 1 7 THR O O -5.143 -3.172 6.581 1.00 . A A . 6 THR O 1 1 7 2886 1 1 7 THR OG1 O -6.783 -0.109 7.081 1.00 . A A . 6 THR OG1 1 1 7 2887 1 1 8 TRP C C -1.344 -2.277 6.258 1.00 . A A . 7 TRP C 1 1 7 2888 1 1 8 TRP CA C -2.515 -3.086 5.710 1.00 . A A . 7 TRP CA 1 1 7 2889 1 1 8 TRP CB C -2.042 -3.970 4.555 1.00 . A A . 7 TRP CB 1 1 7 2890 1 1 8 TRP CD1 C -2.703 -2.693 2.434 1.00 . A A . 7 TRP CD1 1 1 7 2891 1 1 8 TRP CD2 C -0.494 -2.874 2.749 1.00 . A A . 7 TRP CD2 1 1 7 2892 1 1 8 TRP CE2 C -0.721 -2.156 1.559 1.00 . A A . 7 TRP CE2 1 1 7 2893 1 1 8 TRP CE3 C 0.824 -3.110 3.152 1.00 . A A . 7 TRP CE3 1 1 7 2894 1 1 8 TRP CG C -1.775 -3.207 3.293 1.00 . A A . 7 TRP CG 1 1 7 2895 1 1 8 TRP CH2 C 1.600 -1.921 1.187 1.00 . A A . 7 TRP CH2 1 1 7 2896 1 1 8 TRP CZ2 C 0.320 -1.675 0.769 1.00 . A A . 7 TRP CZ2 1 1 7 2897 1 1 8 TRP CZ3 C 1.856 -2.632 2.368 1.00 . A A . 7 TRP CZ3 1 1 7 2898 1 1 8 TRP H H -3.400 -1.513 4.603 1.00 . A A . 7 TRP H 1 1 7 2899 1 1 8 TRP HA H -2.903 -3.714 6.498 1.00 . A A . 7 TRP HA 1 1 7 2900 1 1 8 TRP HB2 H -1.130 -4.470 4.842 1.00 . A A . 7 TRP HB2 1 1 7 2901 1 1 8 TRP HB3 H -2.802 -4.709 4.344 1.00 . A A . 7 TRP HB3 1 1 7 2902 1 1 8 TRP HD1 H -3.771 -2.780 2.568 1.00 . A A . 7 TRP HD1 1 1 7 2903 1 1 8 TRP HE1 H -2.527 -1.611 0.642 1.00 . A A . 7 TRP HE1 1 1 7 2904 1 1 8 TRP HE3 H 1.041 -3.655 4.058 1.00 . A A . 7 TRP HE3 1 1 7 2905 1 1 8 TRP HH2 H 2.438 -1.567 0.606 1.00 . A A . 7 TRP HH2 1 1 7 2906 1 1 8 TRP HZ2 H 0.140 -1.125 -0.143 1.00 . A A . 7 TRP HZ2 1 1 7 2907 1 1 8 TRP HZ3 H 2.880 -2.806 2.664 1.00 . A A . 7 TRP HZ3 1 1 7 2908 1 1 8 TRP N N -3.592 -2.207 5.268 1.00 . A A . 7 TRP N 1 1 7 2909 1 1 8 TRP NE1 N -2.077 -2.059 1.388 1.00 . A A . 7 TRP NE1 1 1 7 2910 1 1 8 TRP O O -0.946 -1.270 5.675 1.00 . A A . 7 TRP O 1 1 7 2911 1 1 9 ASP C C 1.655 -2.601 7.500 1.00 . A A . 8 ASP C 1 1 7 2912 1 1 9 ASP CA C 0.330 -2.042 8.009 1.00 . A A . 8 ASP CA 1 1 7 2913 1 1 9 ASP CB C 0.256 -2.181 9.531 1.00 . A A . 8 ASP CB 1 1 7 2914 1 1 9 ASP CG C -1.172 -2.257 10.037 1.00 . A A . 8 ASP CG 1 1 7 2915 1 1 9 ASP H H -1.159 -3.533 7.802 1.00 . A A . 8 ASP H 1 1 7 2916 1 1 9 ASP HA H 0.270 -0.997 7.749 1.00 . A A . 8 ASP HA 1 1 7 2917 1 1 9 ASP HB2 H 0.771 -3.082 9.830 1.00 . A A . 8 ASP HB2 1 1 7 2918 1 1 9 ASP HB3 H 0.735 -1.327 9.988 1.00 . A A . 8 ASP HB3 1 1 7 2919 1 1 9 ASP N N -0.797 -2.724 7.383 1.00 . A A . 8 ASP N 1 1 7 2920 1 1 9 ASP O O 1.729 -3.749 7.061 1.00 . A A . 8 ASP O 1 1 7 2921 1 1 9 ASP OD1 O -2.020 -1.489 9.538 1.00 . A A . 8 ASP OD1 1 1 7 2922 1 1 9 ASP OD2 O -1.441 -3.086 10.932 1.00 . A A . 8 ASP OD2 1 1 7 2923 1 1 10 CYS C C 4.747 -2.986 8.185 1.00 . A A . 9 CYS C 1 1 7 2924 1 1 10 CYS CA C 4.021 -2.192 7.103 1.00 . A A . 9 CYS CA 1 1 7 2925 1 1 10 CYS CB C 4.850 -0.967 6.710 1.00 . A A . 9 CYS CB 1 1 7 2926 1 1 10 CYS H H 2.577 -0.877 7.920 1.00 . A A . 9 CYS H 1 1 7 2927 1 1 10 CYS HA H 3.892 -2.821 6.236 1.00 . A A . 9 CYS HA 1 1 7 2928 1 1 10 CYS HB2 H 4.218 -0.268 6.181 1.00 . A A . 9 CYS HB2 1 1 7 2929 1 1 10 CYS HB3 H 5.228 -0.496 7.606 1.00 . A A . 9 CYS HB3 1 1 7 2930 1 1 10 CYS N N 2.699 -1.781 7.559 1.00 . A A . 9 CYS N 1 1 7 2931 1 1 10 CYS O O 4.341 -2.988 9.346 1.00 . A A . 9 CYS O 1 1 7 2932 1 1 10 CYS SG S 6.274 -1.346 5.640 1.00 . A A . 9 CYS SG 1 1 7 2933 1 1 11 ASP C C 8.067 -4.008 8.735 1.00 . A A . 10 ASP C 1 1 7 2934 1 1 11 ASP CA C 6.608 -4.456 8.728 1.00 . A A . 10 ASP CA 1 1 7 2935 1 1 11 ASP CB C 6.520 -5.939 8.366 1.00 . A A . 10 ASP CB 1 1 7 2936 1 1 11 ASP CG C 7.097 -6.835 9.445 1.00 . A A . 10 ASP CG 1 1 7 2937 1 1 11 ASP H H 6.099 -3.617 6.853 1.00 . A A . 10 ASP H 1 1 7 2938 1 1 11 ASP HA H 6.196 -4.311 9.715 1.00 . A A . 10 ASP HA 1 1 7 2939 1 1 11 ASP HB2 H 5.484 -6.207 8.219 1.00 . A A . 10 ASP HB2 1 1 7 2940 1 1 11 ASP HB3 H 7.066 -6.113 7.450 1.00 . A A . 10 ASP HB3 1 1 7 2941 1 1 11 ASP N N 5.824 -3.658 7.793 1.00 . A A . 10 ASP N 1 1 7 2942 1 1 11 ASP O O 8.891 -4.549 9.472 1.00 . A A . 10 ASP O 1 1 7 2943 1 1 11 ASP OD1 O 6.932 -6.508 10.638 1.00 . A A . 10 ASP OD1 1 1 7 2944 1 1 11 ASP OD2 O 7.712 -7.864 9.095 1.00 . A A . 10 ASP OD2 1 1 7 2945 1 1 12 THR C C 9.808 -1.052 8.304 1.00 . A A . 11 THR C 1 1 7 2946 1 1 12 THR CA C 9.737 -2.494 7.817 1.00 . A A . 11 THR CA 1 1 7 2947 1 1 12 THR CB C 10.270 -2.564 6.373 1.00 . A A . 11 THR CB 1 1 7 2948 1 1 12 THR CG2 C 11.475 -1.652 6.196 1.00 . A A . 11 THR CG2 1 1 7 2949 1 1 12 THR H H 7.678 -2.624 7.346 1.00 . A A . 11 THR H 1 1 7 2950 1 1 12 THR HA H 10.372 -3.107 8.441 1.00 . A A . 11 THR HA 1 1 7 2951 1 1 12 THR HB H 9.488 -2.237 5.701 1.00 . A A . 11 THR HB 1 1 7 2952 1 1 12 THR HG1 H 9.867 -4.481 6.154 1.00 . A A . 11 THR HG1 1 1 7 2953 1 1 12 THR HG21 H 12.057 -1.644 7.106 1.00 . A A . 11 THR HG21 1 1 7 2954 1 1 12 THR HG22 H 11.140 -0.651 5.974 1.00 . A A . 11 THR HG22 1 1 7 2955 1 1 12 THR HG23 H 12.085 -2.017 5.383 1.00 . A A . 11 THR HG23 1 1 7 2956 1 1 12 THR N N 8.379 -3.015 7.908 1.00 . A A . 11 THR N 1 1 7 2957 1 1 12 THR O O 10.588 -0.726 9.200 1.00 . A A . 11 THR O 1 1 7 2958 1 1 12 THR OG1 O 10.631 -3.910 6.048 1.00 . A A . 11 THR OG1 1 1 7 2959 1 1 13 CYS C C 7.795 1.503 9.033 1.00 . A A . 12 CYS C 1 1 7 2960 1 1 13 CYS CA C 8.956 1.218 8.084 1.00 . A A . 12 CYS CA 1 1 7 2961 1 1 13 CYS CB C 8.838 2.095 6.837 1.00 . A A . 12 CYS CB 1 1 7 2962 1 1 13 CYS H H 8.388 -0.512 7.003 1.00 . A A . 12 CYS H 1 1 7 2963 1 1 13 CYS HA H 9.882 1.447 8.589 1.00 . A A . 12 CYS HA 1 1 7 2964 1 1 13 CYS HB2 H 9.310 3.047 7.030 1.00 . A A . 12 CYS HB2 1 1 7 2965 1 1 13 CYS HB3 H 9.342 1.609 6.014 1.00 . A A . 12 CYS HB3 1 1 7 2966 1 1 13 CYS N N 8.988 -0.191 7.710 1.00 . A A . 12 CYS N 1 1 7 2967 1 1 13 CYS O O 7.709 2.583 9.619 1.00 . A A . 12 CYS O 1 1 7 2968 1 1 13 CYS SG S 7.122 2.423 6.319 1.00 . A A . 12 CYS SG 1 1 7 2969 1 1 14 LEU C C 4.839 1.798 9.575 1.00 . A A . 13 LEU C 1 1 7 2970 1 1 14 LEU CA C 5.750 0.673 10.057 1.00 . A A . 13 LEU CA 1 1 7 2971 1 1 14 LEU CB C 6.205 0.947 11.492 1.00 . A A . 13 LEU CB 1 1 7 2972 1 1 14 LEU CD1 C 7.640 0.299 13.441 1.00 . A A . 13 LEU CD1 1 1 7 2973 1 1 14 LEU CD2 C 7.547 -1.168 11.416 1.00 . A A . 13 LEU CD2 1 1 7 2974 1 1 14 LEU CG C 7.502 0.265 11.926 1.00 . A A . 13 LEU CG 1 1 7 2975 1 1 14 LEU H H 7.027 -0.310 8.686 1.00 . A A . 13 LEU H 1 1 7 2976 1 1 14 LEU HA H 5.198 -0.255 10.035 1.00 . A A . 13 LEU HA 1 1 7 2977 1 1 14 LEU HB2 H 6.341 2.013 11.597 1.00 . A A . 13 LEU HB2 1 1 7 2978 1 1 14 LEU HB3 H 5.417 0.620 12.156 1.00 . A A . 13 LEU HB3 1 1 7 2979 1 1 14 LEU HD11 H 6.676 0.493 13.886 1.00 . A A . 13 LEU HD11 1 1 7 2980 1 1 14 LEU HD12 H 8.331 1.080 13.721 1.00 . A A . 13 LEU HD12 1 1 7 2981 1 1 14 LEU HD13 H 8.014 -0.654 13.789 1.00 . A A . 13 LEU HD13 1 1 7 2982 1 1 14 LEU HD21 H 8.242 -1.740 12.013 1.00 . A A . 13 LEU HD21 1 1 7 2983 1 1 14 LEU HD22 H 7.869 -1.173 10.385 1.00 . A A . 13 LEU HD22 1 1 7 2984 1 1 14 LEU HD23 H 6.564 -1.607 11.489 1.00 . A A . 13 LEU HD23 1 1 7 2985 1 1 14 LEU HG H 8.342 0.799 11.504 1.00 . A A . 13 LEU HG 1 1 7 2986 1 1 14 LEU N N 6.905 0.528 9.179 1.00 . A A . 13 LEU N 1 1 7 2987 1 1 14 LEU O O 5.003 2.954 9.966 1.00 . A A . 13 LEU O 1 1 7 2988 1 1 15 VAL C C 1.737 1.747 7.548 1.00 . A A . 14 VAL C 1 1 7 2989 1 1 15 VAL CA C 2.935 2.431 8.196 1.00 . A A . 14 VAL CA 1 1 7 2990 1 1 15 VAL CB C 3.610 3.351 7.161 1.00 . A A . 14 VAL CB 1 1 7 2991 1 1 15 VAL CG1 C 3.144 3.005 5.755 1.00 . A A . 14 VAL CG1 1 1 7 2992 1 1 15 VAL CG2 C 3.325 4.810 7.482 1.00 . A A . 14 VAL CG2 1 1 7 2993 1 1 15 VAL H H 3.795 0.513 8.455 1.00 . A A . 14 VAL H 1 1 7 2994 1 1 15 VAL HA H 2.588 3.040 9.017 1.00 . A A . 14 VAL HA 1 1 7 2995 1 1 15 VAL HB H 4.677 3.195 7.212 1.00 . A A . 14 VAL HB 1 1 7 2996 1 1 15 VAL HG11 H 3.794 3.480 5.034 1.00 . A A . 14 VAL HG11 1 1 7 2997 1 1 15 VAL HG12 H 3.175 1.934 5.619 1.00 . A A . 14 VAL HG12 1 1 7 2998 1 1 15 VAL HG13 H 2.133 3.357 5.614 1.00 . A A . 14 VAL HG13 1 1 7 2999 1 1 15 VAL HG21 H 2.328 5.062 7.155 1.00 . A A . 14 VAL HG21 1 1 7 3000 1 1 15 VAL HG22 H 3.405 4.968 8.548 1.00 . A A . 14 VAL HG22 1 1 7 3001 1 1 15 VAL HG23 H 4.042 5.438 6.972 1.00 . A A . 14 VAL HG23 1 1 7 3002 1 1 15 VAL N N 3.876 1.451 8.728 1.00 . A A . 14 VAL N 1 1 7 3003 1 1 15 VAL O O 1.876 0.704 6.909 1.00 . A A . 14 VAL O 1 1 7 3004 1 1 16 GLN C C -0.886 2.305 5.729 1.00 . A A . 15 GLN C 1 1 7 3005 1 1 16 GLN CA C -0.662 1.789 7.146 1.00 . A A . 15 GLN CA 1 1 7 3006 1 1 16 GLN CB C -1.864 2.142 8.025 1.00 . A A . 15 GLN CB 1 1 7 3007 1 1 16 GLN CD C -1.035 2.549 10.377 1.00 . A A . 15 GLN CD 1 1 7 3008 1 1 16 GLN CG C -1.761 1.602 9.442 1.00 . A A . 15 GLN CG 1 1 7 3009 1 1 16 GLN H H 0.514 3.170 8.236 1.00 . A A . 15 GLN H 1 1 7 3010 1 1 16 GLN HA H -0.556 0.715 7.112 1.00 . A A . 15 GLN HA 1 1 7 3011 1 1 16 GLN HB2 H -1.953 3.216 8.078 1.00 . A A . 15 GLN HB2 1 1 7 3012 1 1 16 GLN HB3 H -2.757 1.735 7.573 1.00 . A A . 15 GLN HB3 1 1 7 3013 1 1 16 GLN HE21 H -2.764 3.137 11.164 1.00 . A A . 15 GLN HE21 1 1 7 3014 1 1 16 GLN HE22 H -1.349 3.883 11.818 1.00 . A A . 15 GLN HE22 1 1 7 3015 1 1 16 GLN HG2 H -2.757 1.437 9.825 1.00 . A A . 15 GLN HG2 1 1 7 3016 1 1 16 GLN HG3 H -1.226 0.664 9.418 1.00 . A A . 15 GLN HG3 1 1 7 3017 1 1 16 GLN N N 0.560 2.341 7.716 1.00 . A A . 15 GLN N 1 1 7 3018 1 1 16 GLN NE2 N -1.792 3.263 11.203 1.00 . A A . 15 GLN NE2 1 1 7 3019 1 1 16 GLN O O -0.607 3.466 5.431 1.00 . A A . 15 GLN O 1 1 7 3020 1 1 16 GLN OE1 O 0.193 2.641 10.356 1.00 . A A . 15 GLN OE1 1 1 7 3021 1 1 17 ASN C C -2.954 1.189 2.981 1.00 . A A . 16 ASN C 1 1 7 3022 1 1 17 ASN CA C -1.646 1.804 3.472 1.00 . A A . 16 ASN CA 1 1 7 3023 1 1 17 ASN CB C -0.490 1.352 2.578 1.00 . A A . 16 ASN CB 1 1 7 3024 1 1 17 ASN CG C 0.838 1.346 3.309 1.00 . A A . 16 ASN CG 1 1 7 3025 1 1 17 ASN H H -1.588 0.523 5.157 1.00 . A A . 16 ASN H 1 1 7 3026 1 1 17 ASN HA H -1.727 2.879 3.425 1.00 . A A . 16 ASN HA 1 1 7 3027 1 1 17 ASN HB2 H -0.688 0.351 2.224 1.00 . A A . 16 ASN HB2 1 1 7 3028 1 1 17 ASN HB3 H -0.413 2.020 1.734 1.00 . A A . 16 ASN HB3 1 1 7 3029 1 1 17 ASN HD21 H 0.124 0.060 4.648 1.00 . A A . 16 ASN HD21 1 1 7 3030 1 1 17 ASN HD22 H 1.763 0.553 4.881 1.00 . A A . 16 ASN HD22 1 1 7 3031 1 1 17 ASN N N -1.387 1.435 4.860 1.00 . A A . 16 ASN N 1 1 7 3032 1 1 17 ASN ND2 N 0.917 0.576 4.388 1.00 . A A . 16 ASN ND2 1 1 7 3033 1 1 17 ASN O O -3.371 0.132 3.452 1.00 . A A . 16 ASN O 1 1 7 3034 1 1 17 ASN OD1 O 1.783 2.028 2.909 1.00 . A A . 16 ASN OD1 1 1 7 3035 1 1 18 LYS C C -4.664 0.037 0.775 1.00 . A A . 17 LYS C 1 1 7 3036 1 1 18 LYS CA C -4.855 1.381 1.472 1.00 . A A . 17 LYS CA 1 1 7 3037 1 1 18 LYS CB C -5.421 2.404 0.486 1.00 . A A . 17 LYS CB 1 1 7 3038 1 1 18 LYS CD C -5.593 3.123 -1.916 1.00 . A A . 17 LYS CD 1 1 7 3039 1 1 18 LYS CE C -5.522 4.617 -1.638 1.00 . A A . 17 LYS CE 1 1 7 3040 1 1 18 LYS CG C -4.794 2.328 -0.896 1.00 . A A . 17 LYS CG 1 1 7 3041 1 1 18 LYS H H -3.212 2.697 1.694 1.00 . A A . 17 LYS H 1 1 7 3042 1 1 18 LYS HA H -5.552 1.254 2.287 1.00 . A A . 17 LYS HA 1 1 7 3043 1 1 18 LYS HB2 H -6.484 2.239 0.385 1.00 . A A . 17 LYS HB2 1 1 7 3044 1 1 18 LYS HB3 H -5.255 3.397 0.879 1.00 . A A . 17 LYS HB3 1 1 7 3045 1 1 18 LYS HD2 H -5.194 2.932 -2.900 1.00 . A A . 17 LYS HD2 1 1 7 3046 1 1 18 LYS HD3 H -6.626 2.807 -1.876 1.00 . A A . 17 LYS HD3 1 1 7 3047 1 1 18 LYS HE2 H -6.345 5.103 -2.138 1.00 . A A . 17 LYS HE2 1 1 7 3048 1 1 18 LYS HE3 H -5.604 4.776 -0.573 1.00 . A A . 17 LYS HE3 1 1 7 3049 1 1 18 LYS HG2 H -3.792 2.728 -0.849 1.00 . A A . 17 LYS HG2 1 1 7 3050 1 1 18 LYS HG3 H -4.757 1.294 -1.208 1.00 . A A . 17 LYS HG3 1 1 7 3051 1 1 18 LYS HZ1 H -4.329 5.475 -3.122 1.00 . A A . 17 LYS HZ1 1 1 7 3052 1 1 18 LYS HZ2 H -3.470 4.523 -2.018 1.00 . A A . 17 LYS HZ2 1 1 7 3053 1 1 18 LYS HZ3 H -4.014 6.060 -1.565 1.00 . A A . 17 LYS HZ3 1 1 7 3054 1 1 18 LYS N N -3.596 1.860 2.031 1.00 . A A . 17 LYS N 1 1 7 3055 1 1 18 LYS NZ N -4.244 5.210 -2.119 1.00 . A A . 17 LYS NZ 1 1 7 3056 1 1 18 LYS O O -3.631 -0.229 0.161 1.00 . A A . 17 LYS O 1 1 7 3057 1 1 19 PRO C C -5.722 -2.092 -1.270 1.00 . A A . 18 PRO C 1 1 7 3058 1 1 19 PRO CA C -5.653 -2.158 0.252 1.00 . A A . 18 PRO CA 1 1 7 3059 1 1 19 PRO CB C -6.904 -2.839 0.814 1.00 . A A . 18 PRO CB 1 1 7 3060 1 1 19 PRO CD C -6.947 -0.576 1.585 1.00 . A A . 18 PRO CD 1 1 7 3061 1 1 19 PRO CG C -7.825 -1.718 1.154 1.00 . A A . 18 PRO CG 1 1 7 3062 1 1 19 PRO HA H -4.775 -2.713 0.548 1.00 . A A . 18 PRO HA 1 1 7 3063 1 1 19 PRO HB2 H -7.331 -3.488 0.062 1.00 . A A . 18 PRO HB2 1 1 7 3064 1 1 19 PRO HB3 H -6.643 -3.414 1.688 1.00 . A A . 18 PRO HB3 1 1 7 3065 1 1 19 PRO HD2 H -7.378 0.366 1.283 1.00 . A A . 18 PRO HD2 1 1 7 3066 1 1 19 PRO HD3 H -6.794 -0.600 2.654 1.00 . A A . 18 PRO HD3 1 1 7 3067 1 1 19 PRO HG2 H -8.403 -1.441 0.285 1.00 . A A . 18 PRO HG2 1 1 7 3068 1 1 19 PRO HG3 H -8.478 -2.013 1.962 1.00 . A A . 18 PRO HG3 1 1 7 3069 1 1 19 PRO N N -5.685 -0.828 0.869 1.00 . A A . 18 PRO N 1 1 7 3070 1 1 19 PRO O O -5.525 -3.096 -1.953 1.00 . A A . 18 PRO O 1 1 7 3071 1 1 20 GLU C C -4.725 -0.394 -3.834 1.00 . A A . 19 GLU C 1 1 7 3072 1 1 20 GLU CA C -6.095 -0.707 -3.237 1.00 . A A . 19 GLU CA 1 1 7 3073 1 1 20 GLU CB C -7.074 0.424 -3.558 1.00 . A A . 19 GLU CB 1 1 7 3074 1 1 20 GLU CD C -9.040 -0.790 -2.538 1.00 . A A . 19 GLU CD 1 1 7 3075 1 1 20 GLU CG C -8.248 0.502 -2.598 1.00 . A A . 19 GLU CG 1 1 7 3076 1 1 20 GLU H H -6.147 -0.139 -1.199 1.00 . A A . 19 GLU H 1 1 7 3077 1 1 20 GLU HA H -6.461 -1.624 -3.672 1.00 . A A . 19 GLU HA 1 1 7 3078 1 1 20 GLU HB2 H -6.544 1.364 -3.524 1.00 . A A . 19 GLU HB2 1 1 7 3079 1 1 20 GLU HB3 H -7.460 0.275 -4.555 1.00 . A A . 19 GLU HB3 1 1 7 3080 1 1 20 GLU HG2 H -7.876 0.723 -1.610 1.00 . A A . 19 GLU HG2 1 1 7 3081 1 1 20 GLU HG3 H -8.907 1.297 -2.918 1.00 . A A . 19 GLU HG3 1 1 7 3082 1 1 20 GLU N N -6.000 -0.902 -1.795 1.00 . A A . 19 GLU N 1 1 7 3083 1 1 20 GLU O O -4.569 -0.321 -5.053 1.00 . A A . 19 GLU O 1 1 7 3084 1 1 20 GLU OE1 O -8.785 -1.682 -3.373 1.00 . A A . 19 GLU OE1 1 1 7 3085 1 1 20 GLU OE2 O -9.916 -0.908 -1.656 1.00 . A A . 19 GLU OE2 1 1 7 3086 1 1 21 ALA C C -1.591 -1.181 -3.675 1.00 . A A . 20 ALA C 1 1 7 3087 1 1 21 ALA CA C -2.380 0.097 -3.406 1.00 . A A . 20 ALA CA 1 1 7 3088 1 1 21 ALA CB C -1.668 0.951 -2.368 1.00 . A A . 20 ALA CB 1 1 7 3089 1 1 21 ALA H H -3.923 -0.278 -2.007 1.00 . A A . 20 ALA H 1 1 7 3090 1 1 21 ALA HA H -2.446 0.666 -4.321 1.00 . A A . 20 ALA HA 1 1 7 3091 1 1 21 ALA HB1 H -0.657 1.147 -2.697 1.00 . A A . 20 ALA HB1 1 1 7 3092 1 1 21 ALA HB2 H -2.195 1.885 -2.247 1.00 . A A . 20 ALA HB2 1 1 7 3093 1 1 21 ALA HB3 H -1.644 0.426 -1.425 1.00 . A A . 20 ALA HB3 1 1 7 3094 1 1 21 ALA N N -3.736 -0.208 -2.965 1.00 . A A . 20 ALA N 1 1 7 3095 1 1 21 ALA O O -2.046 -2.280 -3.358 1.00 . A A . 20 ALA O 1 1 7 3096 1 1 22 ILE C C 1.700 -2.167 -3.710 1.00 . A A . 21 ILE C 1 1 7 3097 1 1 22 ILE CA C 0.443 -2.168 -4.572 1.00 . A A . 21 ILE CA 1 1 7 3098 1 1 22 ILE CB C 0.853 -2.177 -6.056 1.00 . A A . 21 ILE CB 1 1 7 3099 1 1 22 ILE CD1 C -1.197 -1.038 -7.047 1.00 . A A . 21 ILE CD1 1 1 7 3100 1 1 22 ILE CG1 C -0.384 -2.309 -6.948 1.00 . A A . 21 ILE CG1 1 1 7 3101 1 1 22 ILE CG2 C 1.832 -3.308 -6.329 1.00 . A A . 21 ILE CG2 1 1 7 3102 1 1 22 ILE H H -0.102 -0.125 -4.489 1.00 . A A . 21 ILE H 1 1 7 3103 1 1 22 ILE HA H -0.119 -3.068 -4.369 1.00 . A A . 21 ILE HA 1 1 7 3104 1 1 22 ILE HB H 1.348 -1.244 -6.276 1.00 . A A . 21 ILE HB 1 1 7 3105 1 1 22 ILE HD11 H -2.206 -1.228 -6.713 1.00 . A A . 21 ILE HD11 1 1 7 3106 1 1 22 ILE HD12 H -0.750 -0.275 -6.426 1.00 . A A . 21 ILE HD12 1 1 7 3107 1 1 22 ILE HD13 H -1.215 -0.701 -8.073 1.00 . A A . 21 ILE HD13 1 1 7 3108 1 1 22 ILE HG12 H -0.074 -2.582 -7.945 1.00 . A A . 21 ILE HG12 1 1 7 3109 1 1 22 ILE HG13 H -1.024 -3.083 -6.550 1.00 . A A . 21 ILE HG13 1 1 7 3110 1 1 22 ILE HG21 H 2.840 -2.965 -6.147 1.00 . A A . 21 ILE HG21 1 1 7 3111 1 1 22 ILE HG22 H 1.613 -4.139 -5.675 1.00 . A A . 21 ILE HG22 1 1 7 3112 1 1 22 ILE HG23 H 1.740 -3.625 -7.357 1.00 . A A . 21 ILE HG23 1 1 7 3113 1 1 22 ILE N N -0.408 -1.027 -4.260 1.00 . A A . 21 ILE N 1 1 7 3114 1 1 22 ILE O O 2.339 -3.202 -3.520 1.00 . A A . 21 ILE O 1 1 7 3115 1 1 23 LYS C C 2.995 0.170 -1.241 1.00 . A A . 22 LYS C 1 1 7 3116 1 1 23 LYS CA C 3.231 -0.859 -2.341 1.00 . A A . 22 LYS CA 1 1 7 3117 1 1 23 LYS CB C 4.443 -0.453 -3.182 1.00 . A A . 22 LYS CB 1 1 7 3118 1 1 23 LYS CD C 4.346 2.044 -3.444 1.00 . A A . 22 LYS CD 1 1 7 3119 1 1 23 LYS CE C 4.337 3.188 -4.446 1.00 . A A . 22 LYS CE 1 1 7 3120 1 1 23 LYS CG C 4.165 0.700 -4.131 1.00 . A A . 22 LYS CG 1 1 7 3121 1 1 23 LYS H H 1.503 -0.206 -3.374 1.00 . A A . 22 LYS H 1 1 7 3122 1 1 23 LYS HA H 3.425 -1.818 -1.884 1.00 . A A . 22 LYS HA 1 1 7 3123 1 1 23 LYS HB2 H 5.246 -0.162 -2.520 1.00 . A A . 22 LYS HB2 1 1 7 3124 1 1 23 LYS HB3 H 4.761 -1.304 -3.767 1.00 . A A . 22 LYS HB3 1 1 7 3125 1 1 23 LYS HD2 H 3.540 2.190 -2.740 1.00 . A A . 22 LYS HD2 1 1 7 3126 1 1 23 LYS HD3 H 5.290 2.045 -2.917 1.00 . A A . 22 LYS HD3 1 1 7 3127 1 1 23 LYS HE2 H 4.825 4.042 -4.001 1.00 . A A . 22 LYS HE2 1 1 7 3128 1 1 23 LYS HE3 H 4.880 2.882 -5.327 1.00 . A A . 22 LYS HE3 1 1 7 3129 1 1 23 LYS HG2 H 4.849 0.641 -4.965 1.00 . A A . 22 LYS HG2 1 1 7 3130 1 1 23 LYS HG3 H 3.149 0.623 -4.489 1.00 . A A . 22 LYS HG3 1 1 7 3131 1 1 23 LYS HZ1 H 2.979 4.338 -5.539 1.00 . A A . 22 LYS HZ1 1 1 7 3132 1 1 23 LYS HZ2 H 2.423 3.897 -4.005 1.00 . A A . 22 LYS HZ2 1 1 7 3133 1 1 23 LYS HZ3 H 2.459 2.754 -5.252 1.00 . A A . 22 LYS HZ3 1 1 7 3134 1 1 23 LYS N N 2.052 -0.997 -3.187 1.00 . A A . 22 LYS N 1 1 7 3135 1 1 23 LYS NZ N 2.952 3.571 -4.837 1.00 . A A . 22 LYS NZ 1 1 7 3136 1 1 23 LYS O O 1.964 0.843 -1.218 1.00 . A A . 22 LYS O 1 1 7 3137 1 1 24 CYS C C 3.865 2.675 0.255 1.00 . A A . 23 CYS C 1 1 7 3138 1 1 24 CYS CA C 3.854 1.239 0.771 1.00 . A A . 23 CYS CA 1 1 7 3139 1 1 24 CYS CB C 5.004 1.031 1.759 1.00 . A A . 23 CYS CB 1 1 7 3140 1 1 24 CYS H H 4.756 -0.274 -0.404 1.00 . A A . 23 CYS H 1 1 7 3141 1 1 24 CYS HA H 2.918 1.060 1.278 1.00 . A A . 23 CYS HA 1 1 7 3142 1 1 24 CYS HB2 H 5.297 -0.009 1.744 1.00 . A A . 23 CYS HB2 1 1 7 3143 1 1 24 CYS HB3 H 5.842 1.640 1.457 1.00 . A A . 23 CYS HB3 1 1 7 3144 1 1 24 CYS N N 3.957 0.291 -0.331 1.00 . A A . 23 CYS N 1 1 7 3145 1 1 24 CYS O O 4.354 2.949 -0.841 1.00 . A A . 23 CYS O 1 1 7 3146 1 1 24 CYS SG S 4.593 1.465 3.480 1.00 . A A . 23 CYS SG 1 1 7 3147 1 1 25 VAL C C 4.283 5.815 1.478 1.00 . A A . 24 VAL C 1 1 7 3148 1 1 25 VAL CA C 3.273 4.998 0.680 1.00 . A A . 24 VAL CA 1 1 7 3149 1 1 25 VAL CB C 1.866 5.586 0.900 1.00 . A A . 24 VAL CB 1 1 7 3150 1 1 25 VAL CG1 C 1.646 5.912 2.369 1.00 . A A . 24 VAL CG1 1 1 7 3151 1 1 25 VAL CG2 C 1.665 6.822 0.035 1.00 . A A . 24 VAL CG2 1 1 7 3152 1 1 25 VAL H H 2.950 3.310 1.916 1.00 . A A . 24 VAL H 1 1 7 3153 1 1 25 VAL HA H 3.511 5.073 -0.371 1.00 . A A . 24 VAL HA 1 1 7 3154 1 1 25 VAL HB H 1.138 4.844 0.605 1.00 . A A . 24 VAL HB 1 1 7 3155 1 1 25 VAL HG11 H 0.625 5.685 2.638 1.00 . A A . 24 VAL HG11 1 1 7 3156 1 1 25 VAL HG12 H 2.318 5.320 2.974 1.00 . A A . 24 VAL HG12 1 1 7 3157 1 1 25 VAL HG13 H 1.838 6.960 2.537 1.00 . A A . 24 VAL HG13 1 1 7 3158 1 1 25 VAL HG21 H 1.583 6.526 -1.000 1.00 . A A . 24 VAL HG21 1 1 7 3159 1 1 25 VAL HG22 H 0.760 7.329 0.337 1.00 . A A . 24 VAL HG22 1 1 7 3160 1 1 25 VAL HG23 H 2.507 7.486 0.156 1.00 . A A . 24 VAL HG23 1 1 7 3161 1 1 25 VAL N N 3.324 3.590 1.054 1.00 . A A . 24 VAL N 1 1 7 3162 1 1 25 VAL O O 4.211 7.043 1.516 1.00 . A A . 24 VAL O 1 1 7 3163 1 1 26 ALA C C 7.638 5.250 2.567 1.00 . A A . 25 ALA C 1 1 7 3164 1 1 26 ALA CA C 6.252 5.786 2.906 1.00 . A A . 25 ALA CA 1 1 7 3165 1 1 26 ALA CB C 5.966 5.612 4.391 1.00 . A A . 25 ALA CB 1 1 7 3166 1 1 26 ALA H H 5.229 4.148 2.043 1.00 . A A . 25 ALA H 1 1 7 3167 1 1 26 ALA HA H 6.221 6.843 2.681 1.00 . A A . 25 ALA HA 1 1 7 3168 1 1 26 ALA HB1 H 6.269 4.623 4.701 1.00 . A A . 25 ALA HB1 1 1 7 3169 1 1 26 ALA HB2 H 6.517 6.351 4.952 1.00 . A A . 25 ALA HB2 1 1 7 3170 1 1 26 ALA HB3 H 4.908 5.738 4.570 1.00 . A A . 25 ALA HB3 1 1 7 3171 1 1 26 ALA N N 5.225 5.125 2.113 1.00 . A A . 25 ALA N 1 1 7 3172 1 1 26 ALA O O 8.580 6.019 2.368 1.00 . A A . 25 ALA O 1 1 7 3173 1 1 27 CYS C C 8.995 2.662 0.799 1.00 . A A . 26 CYS C 1 1 7 3174 1 1 27 CYS CA C 9.030 3.289 2.189 1.00 . A A . 26 CYS CA 1 1 7 3175 1 1 27 CYS CB C 9.359 2.222 3.234 1.00 . A A . 26 CYS CB 1 1 7 3176 1 1 27 CYS H H 6.970 3.368 2.672 1.00 . A A . 26 CYS H 1 1 7 3177 1 1 27 CYS HA H 9.797 4.048 2.209 1.00 . A A . 26 CYS HA 1 1 7 3178 1 1 27 CYS HB2 H 10.409 1.971 3.164 1.00 . A A . 26 CYS HB2 1 1 7 3179 1 1 27 CYS HB3 H 9.155 2.617 4.218 1.00 . A A . 26 CYS HB3 1 1 7 3180 1 1 27 CYS N N 7.758 3.929 2.503 1.00 . A A . 26 CYS N 1 1 7 3181 1 1 27 CYS O O 10.025 2.254 0.265 1.00 . A A . 26 CYS O 1 1 7 3182 1 1 27 CYS SG S 8.409 0.679 3.047 1.00 . A A . 26 CYS SG 1 1 7 3183 1 1 28 GLU C C 7.938 0.514 -1.093 1.00 . A A . 27 GLU C 1 1 7 3184 1 1 28 GLU CA C 7.630 2.009 -1.109 1.00 . A A . 27 GLU CA 1 1 7 3185 1 1 28 GLU CB C 8.537 2.717 -2.117 1.00 . A A . 27 GLU CB 1 1 7 3186 1 1 28 GLU CD C 9.916 4.804 -2.474 1.00 . A A . 27 GLU CD 1 1 7 3187 1 1 28 GLU CG C 8.645 4.216 -1.892 1.00 . A A . 27 GLU CG 1 1 7 3188 1 1 28 GLU H H 7.015 2.929 0.696 1.00 . A A . 27 GLU H 1 1 7 3189 1 1 28 GLU HA H 6.602 2.150 -1.402 1.00 . A A . 27 GLU HA 1 1 7 3190 1 1 28 GLU HB2 H 9.528 2.292 -2.053 1.00 . A A . 27 GLU HB2 1 1 7 3191 1 1 28 GLU HB3 H 8.148 2.550 -3.110 1.00 . A A . 27 GLU HB3 1 1 7 3192 1 1 28 GLU HG2 H 7.797 4.699 -2.355 1.00 . A A . 27 GLU HG2 1 1 7 3193 1 1 28 GLU HG3 H 8.630 4.409 -0.829 1.00 . A A . 27 GLU HG3 1 1 7 3194 1 1 28 GLU N N 7.800 2.588 0.220 1.00 . A A . 27 GLU N 1 1 7 3195 1 1 28 GLU O O 8.671 0.010 -1.945 1.00 . A A . 27 GLU O 1 1 7 3196 1 1 28 GLU OE1 O 9.894 5.209 -3.655 1.00 . A A . 27 GLU OE1 1 1 7 3197 1 1 28 GLU OE2 O 10.931 4.858 -1.750 1.00 . A A . 27 GLU OE2 1 1 7 3198 1 1 29 THR C C 6.562 -2.409 -0.807 1.00 . A A . 28 THR C 1 1 7 3199 1 1 29 THR CA C 7.584 -1.627 0.009 1.00 . A A . 28 THR CA 1 1 7 3200 1 1 29 THR CB C 7.506 -2.078 1.480 1.00 . A A . 28 THR CB 1 1 7 3201 1 1 29 THR CG2 C 6.680 -3.349 1.612 1.00 . A A . 28 THR CG2 1 1 7 3202 1 1 29 THR H H 6.797 0.267 0.529 1.00 . A A . 28 THR H 1 1 7 3203 1 1 29 THR HA H 8.574 -1.851 -0.362 1.00 . A A . 28 THR HA 1 1 7 3204 1 1 29 THR HB H 7.030 -1.296 2.055 1.00 . A A . 28 THR HB 1 1 7 3205 1 1 29 THR HG1 H 9.458 -1.801 1.479 1.00 . A A . 28 THR HG1 1 1 7 3206 1 1 29 THR HG21 H 6.974 -4.051 0.847 1.00 . A A . 28 THR HG21 1 1 7 3207 1 1 29 THR HG22 H 5.633 -3.111 1.498 1.00 . A A . 28 THR HG22 1 1 7 3208 1 1 29 THR HG23 H 6.846 -3.786 2.585 1.00 . A A . 28 THR HG23 1 1 7 3209 1 1 29 THR N N 7.371 -0.190 -0.119 1.00 . A A . 28 THR N 1 1 7 3210 1 1 29 THR O O 5.406 -2.011 -0.944 1.00 . A A . 28 THR O 1 1 7 3211 1 1 29 THR OG1 O 8.822 -2.302 1.995 1.00 . A A . 28 THR OG1 1 1 7 3212 1 1 30 PRO C C 5.062 -5.111 -1.339 1.00 . A A . 29 PRO C 1 1 7 3213 1 1 30 PRO CA C 6.132 -4.415 -2.173 1.00 . A A . 29 PRO CA 1 1 7 3214 1 1 30 PRO CB C 7.106 -5.441 -2.758 1.00 . A A . 29 PRO CB 1 1 7 3215 1 1 30 PRO CD C 8.362 -4.087 -1.240 1.00 . A A . 29 PRO CD 1 1 7 3216 1 1 30 PRO CG C 8.240 -5.480 -1.793 1.00 . A A . 29 PRO CG 1 1 7 3217 1 1 30 PRO HA H 5.662 -3.865 -2.974 1.00 . A A . 29 PRO HA 1 1 7 3218 1 1 30 PRO HB2 H 6.617 -6.402 -2.834 1.00 . A A . 29 PRO HB2 1 1 7 3219 1 1 30 PRO HB3 H 7.431 -5.117 -3.736 1.00 . A A . 29 PRO HB3 1 1 7 3220 1 1 30 PRO HD2 H 8.673 -4.118 -0.206 1.00 . A A . 29 PRO HD2 1 1 7 3221 1 1 30 PRO HD3 H 9.056 -3.507 -1.829 1.00 . A A . 29 PRO HD3 1 1 7 3222 1 1 30 PRO HG2 H 8.024 -6.181 -1.001 1.00 . A A . 29 PRO HG2 1 1 7 3223 1 1 30 PRO HG3 H 9.148 -5.759 -2.306 1.00 . A A . 29 PRO HG3 1 1 7 3224 1 1 30 PRO N N 6.995 -3.552 -1.361 1.00 . A A . 29 PRO N 1 1 7 3225 1 1 30 PRO O O 5.370 -5.930 -0.473 1.00 . A A . 29 PRO O 1 1 7 3226 1 1 31 LYS C C 2.678 -6.893 -1.045 1.00 . A A . 30 LYS C 1 1 7 3227 1 1 31 LYS CA C 2.685 -5.377 -0.884 1.00 . A A . 30 LYS CA 1 1 7 3228 1 1 31 LYS CB C 1.360 -4.794 -1.381 1.00 . A A . 30 LYS CB 1 1 7 3229 1 1 31 LYS CD C -1.025 -5.452 -1.811 1.00 . A A . 30 LYS CD 1 1 7 3230 1 1 31 LYS CE C -2.033 -4.384 -1.414 1.00 . A A . 30 LYS CE 1 1 7 3231 1 1 31 LYS CG C 0.138 -5.511 -0.835 1.00 . A A . 30 LYS CG 1 1 7 3232 1 1 31 LYS H H 3.620 -4.123 -2.310 1.00 . A A . 30 LYS H 1 1 7 3233 1 1 31 LYS HA H 2.804 -5.140 0.162 1.00 . A A . 30 LYS HA 1 1 7 3234 1 1 31 LYS HB2 H 1.305 -3.757 -1.088 1.00 . A A . 30 LYS HB2 1 1 7 3235 1 1 31 LYS HB3 H 1.336 -4.856 -2.459 1.00 . A A . 30 LYS HB3 1 1 7 3236 1 1 31 LYS HD2 H -0.646 -5.224 -2.796 1.00 . A A . 30 LYS HD2 1 1 7 3237 1 1 31 LYS HD3 H -1.519 -6.413 -1.827 1.00 . A A . 30 LYS HD3 1 1 7 3238 1 1 31 LYS HE2 H -2.339 -4.558 -0.394 1.00 . A A . 30 LYS HE2 1 1 7 3239 1 1 31 LYS HE3 H -1.560 -3.416 -1.487 1.00 . A A . 30 LYS HE3 1 1 7 3240 1 1 31 LYS HG2 H 0.389 -6.545 -0.653 1.00 . A A . 30 LYS HG2 1 1 7 3241 1 1 31 LYS HG3 H -0.159 -5.042 0.092 1.00 . A A . 30 LYS HG3 1 1 7 3242 1 1 31 LYS HZ1 H -3.546 -3.432 -2.493 1.00 . A A . 30 LYS HZ1 1 1 7 3243 1 1 31 LYS HZ2 H -4.013 -4.912 -1.822 1.00 . A A . 30 LYS HZ2 1 1 7 3244 1 1 31 LYS HZ3 H -3.017 -4.880 -3.189 1.00 . A A . 30 LYS HZ3 1 1 7 3245 1 1 31 LYS N N 3.803 -4.783 -1.608 1.00 . A A . 30 LYS N 1 1 7 3246 1 1 31 LYS NZ N -3.236 -4.403 -2.291 1.00 . A A . 30 LYS NZ 1 1 7 3247 1 1 31 LYS O O 2.996 -7.430 -2.107 1.00 . A A . 30 LYS O 1 1 7 3248 1 1 32 PRO C C 1.111 -9.602 -0.837 1.00 . A A . 31 PRO C 1 1 7 3249 1 1 32 PRO CA C 2.246 -9.068 0.030 1.00 . A A . 31 PRO CA 1 1 7 3250 1 1 32 PRO CB C 2.001 -9.412 1.502 1.00 . A A . 31 PRO CB 1 1 7 3251 1 1 32 PRO CD C 1.912 -7.030 1.328 1.00 . A A . 31 PRO CD 1 1 7 3252 1 1 32 PRO CG C 1.336 -8.205 2.069 1.00 . A A . 31 PRO CG 1 1 7 3253 1 1 32 PRO HA H 3.179 -9.504 -0.293 1.00 . A A . 31 PRO HA 1 1 7 3254 1 1 32 PRO HB2 H 1.364 -10.283 1.570 1.00 . A A . 31 PRO HB2 1 1 7 3255 1 1 32 PRO HB3 H 2.943 -9.609 1.990 1.00 . A A . 31 PRO HB3 1 1 7 3256 1 1 32 PRO HD2 H 1.165 -6.261 1.199 1.00 . A A . 31 PRO HD2 1 1 7 3257 1 1 32 PRO HD3 H 2.772 -6.639 1.852 1.00 . A A . 31 PRO HD3 1 1 7 3258 1 1 32 PRO HG2 H 0.270 -8.264 1.908 1.00 . A A . 31 PRO HG2 1 1 7 3259 1 1 32 PRO HG3 H 1.555 -8.127 3.123 1.00 . A A . 31 PRO HG3 1 1 7 3260 1 1 32 PRO N N 2.305 -7.603 0.030 1.00 . A A . 31 PRO N 1 1 7 3261 1 1 32 PRO O O 0.378 -10.485 -0.392 1.00 . A A . 31 PRO O 1 1 7 3262 2 2 1 ZN ZN ZN 6.599 0.804 4.618 1.00 . B A . 32 ZN ZN 1 1 8 3263 1 1 2 HIS C C -16.819 3.666 8.903 1.00 . A A . 1 HIS C 1 1 8 3264 1 1 2 HIS CA C -18.300 3.516 9.237 1.00 . A A . 1 HIS CA 1 1 8 3265 1 1 2 HIS CB C -19.064 3.025 8.008 1.00 . A A . 1 HIS CB 1 1 8 3266 1 1 2 HIS CD2 C -21.231 2.318 9.248 1.00 . A A . 1 HIS CD2 1 1 8 3267 1 1 2 HIS CE1 C -22.691 3.111 7.817 1.00 . A A . 1 HIS CE1 1 1 8 3268 1 1 2 HIS CG C -20.539 2.890 8.234 1.00 . A A . 1 HIS CG 1 1 8 3269 1 1 2 HIS H H -18.757 5.583 9.154 1.00 . A A . 1 HIS H 1 1 8 3270 1 1 2 HIS HA H -18.405 2.792 10.029 1.00 . A A . 1 HIS HA 1 1 8 3271 1 1 2 HIS HB2 H -18.917 3.722 7.197 1.00 . A A . 1 HIS HB2 1 1 8 3272 1 1 2 HIS HB3 H -18.684 2.056 7.718 1.00 . A A . 1 HIS HB3 1 1 8 3273 1 1 2 HIS HD1 H -21.295 3.848 6.517 1.00 . A A . 1 HIS HD1 1 1 8 3274 1 1 2 HIS HD2 H -20.811 1.833 10.118 1.00 . A A . 1 HIS HD2 1 1 8 3275 1 1 2 HIS HE1 H -23.624 3.373 7.340 1.00 . A A . 1 HIS HE1 1 1 8 3276 1 1 2 HIS N N -18.856 4.779 9.708 1.00 . A A . 1 HIS N 1 1 8 3277 1 1 2 HIS ND1 N -21.483 3.377 7.355 1.00 . A A . 1 HIS ND1 1 1 8 3278 1 1 2 HIS NE2 N -22.566 2.470 8.965 1.00 . A A . 1 HIS NE2 1 1 8 3279 1 1 2 HIS O O -16.442 4.485 8.065 1.00 . A A . 1 HIS O 1 1 8 3280 1 1 3 MET C C -14.045 1.596 8.756 1.00 . A A . 2 MET C 1 1 8 3281 1 1 3 MET CA C -14.545 2.915 9.336 1.00 . A A . 2 MET CA 1 1 8 3282 1 1 3 MET CB C -13.810 3.222 10.643 1.00 . A A . 2 MET CB 1 1 8 3283 1 1 3 MET CE C -10.310 4.643 10.875 1.00 . A A . 2 MET CE 1 1 8 3284 1 1 3 MET CG C -12.354 2.787 10.637 1.00 . A A . 2 MET CG 1 1 8 3285 1 1 3 MET H H -16.345 2.238 10.220 1.00 . A A . 2 MET H 1 1 8 3286 1 1 3 MET HA H -14.346 3.706 8.628 1.00 . A A . 2 MET HA 1 1 8 3287 1 1 3 MET HB2 H -13.843 4.287 10.820 1.00 . A A . 2 MET HB2 1 1 8 3288 1 1 3 MET HB3 H -14.311 2.714 11.453 1.00 . A A . 2 MET HB3 1 1 8 3289 1 1 3 MET HE1 H -9.793 5.359 11.496 1.00 . A A . 2 MET HE1 1 1 8 3290 1 1 3 MET HE2 H -9.589 4.017 10.371 1.00 . A A . 2 MET HE2 1 1 8 3291 1 1 3 MET HE3 H -10.908 5.165 10.144 1.00 . A A . 2 MET HE3 1 1 8 3292 1 1 3 MET HG2 H -12.309 1.722 10.817 1.00 . A A . 2 MET HG2 1 1 8 3293 1 1 3 MET HG3 H -11.931 3.003 9.667 1.00 . A A . 2 MET HG3 1 1 8 3294 1 1 3 MET N N -15.985 2.871 9.564 1.00 . A A . 2 MET N 1 1 8 3295 1 1 3 MET O O -14.107 0.556 9.411 1.00 . A A . 2 MET O 1 1 8 3296 1 1 3 MET SD S -11.373 3.625 11.896 1.00 . A A . 2 MET SD 1 1 8 3297 1 1 4 VAL C C -11.718 0.007 7.468 1.00 . A A . 3 VAL C 1 1 8 3298 1 1 4 VAL CA C -13.040 0.456 6.855 1.00 . A A . 3 VAL CA 1 1 8 3299 1 1 4 VAL CB C -12.836 0.702 5.348 1.00 . A A . 3 VAL CB 1 1 8 3300 1 1 4 VAL CG1 C -11.542 1.462 5.100 1.00 . A A . 3 VAL CG1 1 1 8 3301 1 1 4 VAL CG2 C -12.844 -0.616 4.588 1.00 . A A . 3 VAL CG2 1 1 8 3302 1 1 4 VAL H H -13.527 2.506 7.052 1.00 . A A . 3 VAL H 1 1 8 3303 1 1 4 VAL HA H -13.767 -0.332 6.974 1.00 . A A . 3 VAL HA 1 1 8 3304 1 1 4 VAL HB H -13.657 1.306 4.989 1.00 . A A . 3 VAL HB 1 1 8 3305 1 1 4 VAL HG11 H -11.264 2.000 5.995 1.00 . A A . 3 VAL HG11 1 1 8 3306 1 1 4 VAL HG12 H -10.760 0.764 4.840 1.00 . A A . 3 VAL HG12 1 1 8 3307 1 1 4 VAL HG13 H -11.685 2.162 4.291 1.00 . A A . 3 VAL HG13 1 1 8 3308 1 1 4 VAL HG21 H -13.531 -0.547 3.758 1.00 . A A . 3 VAL HG21 1 1 8 3309 1 1 4 VAL HG22 H -11.851 -0.824 4.216 1.00 . A A . 3 VAL HG22 1 1 8 3310 1 1 4 VAL HG23 H -13.155 -1.411 5.249 1.00 . A A . 3 VAL HG23 1 1 8 3311 1 1 4 VAL N N -13.550 1.647 7.523 1.00 . A A . 3 VAL N 1 1 8 3312 1 1 4 VAL O O -10.877 0.831 7.830 1.00 . A A . 3 VAL O 1 1 8 3313 1 1 5 ILE C C -9.615 -2.774 7.147 1.00 . A A . 4 ILE C 1 1 8 3314 1 1 5 ILE CA C -10.320 -1.865 8.148 1.00 . A A . 4 ILE CA 1 1 8 3315 1 1 5 ILE CB C -10.611 -2.662 9.434 1.00 . A A . 4 ILE CB 1 1 8 3316 1 1 5 ILE CD1 C -12.081 -4.501 10.401 1.00 . A A . 4 ILE CD1 1 1 8 3317 1 1 5 ILE CG1 C -11.652 -3.750 9.160 1.00 . A A . 4 ILE CG1 1 1 8 3318 1 1 5 ILE CG2 C -11.088 -1.731 10.538 1.00 . A A . 4 ILE CG2 1 1 8 3319 1 1 5 ILE H H -12.247 -1.911 7.273 1.00 . A A . 4 ILE H 1 1 8 3320 1 1 5 ILE HA H -9.663 -1.045 8.398 1.00 . A A . 4 ILE HA 1 1 8 3321 1 1 5 ILE HB H -9.692 -3.126 9.759 1.00 . A A . 4 ILE HB 1 1 8 3322 1 1 5 ILE HD11 H -13.083 -4.204 10.673 1.00 . A A . 4 ILE HD11 1 1 8 3323 1 1 5 ILE HD12 H -12.059 -5.562 10.206 1.00 . A A . 4 ILE HD12 1 1 8 3324 1 1 5 ILE HD13 H -11.405 -4.270 11.213 1.00 . A A . 4 ILE HD13 1 1 8 3325 1 1 5 ILE HG12 H -12.530 -3.300 8.725 1.00 . A A . 4 ILE HG12 1 1 8 3326 1 1 5 ILE HG13 H -11.238 -4.466 8.465 1.00 . A A . 4 ILE HG13 1 1 8 3327 1 1 5 ILE HG21 H -10.873 -0.708 10.265 1.00 . A A . 4 ILE HG21 1 1 8 3328 1 1 5 ILE HG22 H -12.153 -1.850 10.673 1.00 . A A . 4 ILE HG22 1 1 8 3329 1 1 5 ILE HG23 H -10.579 -1.973 11.458 1.00 . A A . 4 ILE HG23 1 1 8 3330 1 1 5 ILE N N -11.541 -1.305 7.581 1.00 . A A . 4 ILE N 1 1 8 3331 1 1 5 ILE O O -9.331 -3.935 7.441 1.00 . A A . 4 ILE O 1 1 8 3332 1 1 6 GLY C C -7.199 -2.645 4.795 1.00 . A A . 5 GLY C 1 1 8 3333 1 1 6 GLY CA C -8.663 -3.014 4.938 1.00 . A A . 5 GLY CA 1 1 8 3334 1 1 6 GLY H H -9.585 -1.308 5.785 1.00 . A A . 5 GLY H 1 1 8 3335 1 1 6 GLY HA2 H -8.736 -4.062 5.189 1.00 . A A . 5 GLY HA2 1 1 8 3336 1 1 6 GLY HA3 H -9.159 -2.846 3.993 1.00 . A A . 5 GLY HA3 1 1 8 3337 1 1 6 GLY N N -9.334 -2.238 5.963 1.00 . A A . 5 GLY N 1 1 8 3338 1 1 6 GLY O O -6.382 -3.465 4.379 1.00 . A A . 5 GLY O 1 1 8 3339 1 1 7 THR C C -4.526 -1.902 5.708 1.00 . A A . 6 THR C 1 1 8 3340 1 1 7 THR CA C -5.494 -0.928 5.047 1.00 . A A . 6 THR CA 1 1 8 3341 1 1 7 THR CB C -5.335 0.459 5.699 1.00 . A A . 6 THR CB 1 1 8 3342 1 1 7 THR CG2 C -6.092 1.518 4.912 1.00 . A A . 6 THR CG2 1 1 8 3343 1 1 7 THR H H -7.564 -0.797 5.466 1.00 . A A . 6 THR H 1 1 8 3344 1 1 7 THR HA H -5.242 -0.840 3.999 1.00 . A A . 6 THR HA 1 1 8 3345 1 1 7 THR HB H -4.286 0.718 5.707 1.00 . A A . 6 THR HB 1 1 8 3346 1 1 7 THR HG1 H -5.091 0.594 7.652 1.00 . A A . 6 THR HG1 1 1 8 3347 1 1 7 THR HG21 H -5.387 2.186 4.438 1.00 . A A . 6 THR HG21 1 1 8 3348 1 1 7 THR HG22 H -6.726 2.079 5.581 1.00 . A A . 6 THR HG22 1 1 8 3349 1 1 7 THR HG23 H -6.698 1.040 4.157 1.00 . A A . 6 THR HG23 1 1 8 3350 1 1 7 THR N N -6.868 -1.404 5.141 1.00 . A A . 6 THR N 1 1 8 3351 1 1 7 THR O O -4.807 -2.438 6.780 1.00 . A A . 6 THR O 1 1 8 3352 1 1 7 THR OG1 O -5.818 0.424 7.047 1.00 . A A . 6 THR OG1 1 1 8 3353 1 1 8 TRP C C -1.261 -2.266 6.289 1.00 . A A . 7 TRP C 1 1 8 3354 1 1 8 TRP CA C -2.377 -3.037 5.591 1.00 . A A . 7 TRP CA 1 1 8 3355 1 1 8 TRP CB C -1.795 -3.893 4.465 1.00 . A A . 7 TRP CB 1 1 8 3356 1 1 8 TRP CD1 C -2.493 -2.670 2.325 1.00 . A A . 7 TRP CD1 1 1 8 3357 1 1 8 TRP CD2 C -0.282 -2.728 2.672 1.00 . A A . 7 TRP CD2 1 1 8 3358 1 1 8 TRP CE2 C -0.530 -2.033 1.472 1.00 . A A . 7 TRP CE2 1 1 8 3359 1 1 8 TRP CE3 C 1.041 -2.889 3.096 1.00 . A A . 7 TRP CE3 1 1 8 3360 1 1 8 TRP CG C -1.551 -3.126 3.200 1.00 . A A . 7 TRP CG 1 1 8 3361 1 1 8 TRP CH2 C 1.780 -1.675 1.132 1.00 . A A . 7 TRP CH2 1 1 8 3362 1 1 8 TRP CZ2 C 0.496 -1.502 0.694 1.00 . A A . 7 TRP CZ2 1 1 8 3363 1 1 8 TRP CZ3 C 2.057 -2.363 2.322 1.00 . A A . 7 TRP CZ3 1 1 8 3364 1 1 8 TRP H H -3.220 -1.668 4.212 1.00 . A A . 7 TRP H 1 1 8 3365 1 1 8 TRP HA H -2.858 -3.683 6.311 1.00 . A A . 7 TRP HA 1 1 8 3366 1 1 8 TRP HB2 H -0.854 -4.311 4.789 1.00 . A A . 7 TRP HB2 1 1 8 3367 1 1 8 TRP HB3 H -2.483 -4.695 4.241 1.00 . A A . 7 TRP HB3 1 1 8 3368 1 1 8 TRP HD1 H -3.556 -2.814 2.444 1.00 . A A . 7 TRP HD1 1 1 8 3369 1 1 8 TRP HE1 H -2.350 -1.594 0.525 1.00 . A A . 7 TRP HE1 1 1 8 3370 1 1 8 TRP HE3 H 1.274 -3.416 4.009 1.00 . A A . 7 TRP HE3 1 1 8 3371 1 1 8 TRP HH2 H 2.605 -1.281 0.559 1.00 . A A . 7 TRP HH2 1 1 8 3372 1 1 8 TRP HZ2 H 0.298 -0.970 -0.226 1.00 . A A . 7 TRP HZ2 1 1 8 3373 1 1 8 TRP HZ3 H 3.085 -2.478 2.632 1.00 . A A . 7 TRP HZ3 1 1 8 3374 1 1 8 TRP N N -3.387 -2.126 5.063 1.00 . A A . 7 TRP N 1 1 8 3375 1 1 8 TRP NE1 N -1.886 -2.012 1.281 1.00 . A A . 7 TRP NE1 1 1 8 3376 1 1 8 TRP O O -0.833 -1.213 5.819 1.00 . A A . 7 TRP O 1 1 8 3377 1 1 9 ASP C C 1.637 -2.697 7.751 1.00 . A A . 8 ASP C 1 1 8 3378 1 1 9 ASP CA C 0.273 -2.162 8.175 1.00 . A A . 8 ASP CA 1 1 8 3379 1 1 9 ASP CB C 0.065 -2.391 9.674 1.00 . A A . 8 ASP CB 1 1 8 3380 1 1 9 ASP CG C -1.342 -2.050 10.122 1.00 . A A . 8 ASP CG 1 1 8 3381 1 1 9 ASP H H -1.176 -3.642 7.737 1.00 . A A . 8 ASP H 1 1 8 3382 1 1 9 ASP HA H 0.237 -1.103 7.974 1.00 . A A . 8 ASP HA 1 1 8 3383 1 1 9 ASP HB2 H 0.254 -3.430 9.902 1.00 . A A . 8 ASP HB2 1 1 8 3384 1 1 9 ASP HB3 H 0.759 -1.774 10.225 1.00 . A A . 8 ASP HB3 1 1 8 3385 1 1 9 ASP N N -0.794 -2.800 7.413 1.00 . A A . 8 ASP N 1 1 8 3386 1 1 9 ASP O O 1.821 -3.904 7.591 1.00 . A A . 8 ASP O 1 1 8 3387 1 1 9 ASP OD1 O -2.078 -1.415 9.336 1.00 . A A . 8 ASP OD1 1 1 8 3388 1 1 9 ASP OD2 O -1.709 -2.419 11.256 1.00 . A A . 8 ASP OD2 1 1 8 3389 1 1 10 CYS C C 4.683 -2.850 8.308 1.00 . A A . 9 CYS C 1 1 8 3390 1 1 10 CYS CA C 3.940 -2.169 7.162 1.00 . A A . 9 CYS CA 1 1 8 3391 1 1 10 CYS CB C 4.718 -0.937 6.694 1.00 . A A . 9 CYS CB 1 1 8 3392 1 1 10 CYS H H 2.385 -0.843 7.712 1.00 . A A . 9 CYS H 1 1 8 3393 1 1 10 CYS HA H 3.855 -2.864 6.341 1.00 . A A . 9 CYS HA 1 1 8 3394 1 1 10 CYS HB2 H 4.066 -0.314 6.100 1.00 . A A . 9 CYS HB2 1 1 8 3395 1 1 10 CYS HB3 H 5.050 -0.381 7.558 1.00 . A A . 9 CYS HB3 1 1 8 3396 1 1 10 CYS N N 2.591 -1.790 7.569 1.00 . A A . 9 CYS N 1 1 8 3397 1 1 10 CYS O O 4.346 -2.664 9.478 1.00 . A A . 9 CYS O 1 1 8 3398 1 1 10 CYS SG S 6.185 -1.325 5.686 1.00 . A A . 9 CYS SG 1 1 8 3399 1 1 11 ASP C C 7.963 -3.978 8.846 1.00 . A A . 10 ASP C 1 1 8 3400 1 1 11 ASP CA C 6.487 -4.346 8.962 1.00 . A A . 10 ASP CA 1 1 8 3401 1 1 11 ASP CB C 6.313 -5.858 8.805 1.00 . A A . 10 ASP CB 1 1 8 3402 1 1 11 ASP CG C 7.118 -6.642 9.821 1.00 . A A . 10 ASP CG 1 1 8 3403 1 1 11 ASP H H 5.915 -3.747 7.014 1.00 . A A . 10 ASP H 1 1 8 3404 1 1 11 ASP HA H 6.131 -4.052 9.937 1.00 . A A . 10 ASP HA 1 1 8 3405 1 1 11 ASP HB2 H 5.268 -6.108 8.930 1.00 . A A . 10 ASP HB2 1 1 8 3406 1 1 11 ASP HB3 H 6.632 -6.149 7.815 1.00 . A A . 10 ASP HB3 1 1 8 3407 1 1 11 ASP N N 5.694 -3.639 7.963 1.00 . A A . 10 ASP N 1 1 8 3408 1 1 11 ASP O O 8.832 -4.673 9.373 1.00 . A A . 10 ASP O 1 1 8 3409 1 1 11 ASP OD1 O 7.335 -6.123 10.936 1.00 . A A . 10 ASP OD1 1 1 8 3410 1 1 11 ASP OD2 O 7.531 -7.777 9.502 1.00 . A A . 10 ASP OD2 1 1 8 3411 1 1 12 THR C C 9.747 -0.942 8.317 1.00 . A A . 11 THR C 1 1 8 3412 1 1 12 THR CA C 9.610 -2.418 7.964 1.00 . A A . 11 THR CA 1 1 8 3413 1 1 12 THR CB C 10.081 -2.633 6.512 1.00 . A A . 11 THR CB 1 1 8 3414 1 1 12 THR CG2 C 11.249 -1.716 6.181 1.00 . A A . 11 THR CG2 1 1 8 3415 1 1 12 THR H H 7.505 -2.366 7.755 1.00 . A A . 11 THR H 1 1 8 3416 1 1 12 THR HA H 10.248 -2.996 8.616 1.00 . A A . 11 THR HA 1 1 8 3417 1 1 12 THR HB H 9.262 -2.402 5.846 1.00 . A A . 11 THR HB 1 1 8 3418 1 1 12 THR HG1 H 9.776 -4.464 5.848 1.00 . A A . 11 THR HG1 1 1 8 3419 1 1 12 THR HG21 H 11.748 -2.075 5.293 1.00 . A A . 11 THR HG21 1 1 8 3420 1 1 12 THR HG22 H 11.946 -1.708 7.007 1.00 . A A . 11 THR HG22 1 1 8 3421 1 1 12 THR HG23 H 10.883 -0.716 6.010 1.00 . A A . 11 THR HG23 1 1 8 3422 1 1 12 THR N N 8.240 -2.878 8.151 1.00 . A A . 11 THR N 1 1 8 3423 1 1 12 THR O O 10.672 -0.546 9.028 1.00 . A A . 11 THR O 1 1 8 3424 1 1 12 THR OG1 O 10.470 -3.997 6.320 1.00 . A A . 11 THR OG1 1 1 8 3425 1 1 13 CYS C C 7.701 1.699 9.019 1.00 . A A . 12 CYS C 1 1 8 3426 1 1 13 CYS CA C 8.839 1.304 8.081 1.00 . A A . 12 CYS CA 1 1 8 3427 1 1 13 CYS CB C 8.729 2.086 6.770 1.00 . A A . 12 CYS CB 1 1 8 3428 1 1 13 CYS H H 8.108 -0.505 7.258 1.00 . A A . 12 CYS H 1 1 8 3429 1 1 13 CYS HA H 9.779 1.544 8.555 1.00 . A A . 12 CYS HA 1 1 8 3430 1 1 13 CYS HB2 H 9.253 3.024 6.874 1.00 . A A . 12 CYS HB2 1 1 8 3431 1 1 13 CYS HB3 H 9.186 1.511 5.978 1.00 . A A . 12 CYS HB3 1 1 8 3432 1 1 13 CYS N N 8.821 -0.129 7.818 1.00 . A A . 12 CYS N 1 1 8 3433 1 1 13 CYS O O 7.585 2.858 9.418 1.00 . A A . 12 CYS O 1 1 8 3434 1 1 13 CYS SG S 7.019 2.461 6.270 1.00 . A A . 12 CYS SG 1 1 8 3435 1 1 14 LEU C C 4.820 2.052 9.690 1.00 . A A . 13 LEU C 1 1 8 3436 1 1 14 LEU CA C 5.736 0.972 10.256 1.00 . A A . 13 LEU CA 1 1 8 3437 1 1 14 LEU CB C 6.235 1.385 11.642 1.00 . A A . 13 LEU CB 1 1 8 3438 1 1 14 LEU CD1 C 7.909 -0.343 12.343 1.00 . A A . 13 LEU CD1 1 1 8 3439 1 1 14 LEU CD2 C 6.434 0.731 14.054 1.00 . A A . 13 LEU CD2 1 1 8 3440 1 1 14 LEU CG C 6.533 0.245 12.616 1.00 . A A . 13 LEU CG 1 1 8 3441 1 1 14 LEU H H 7.008 -0.177 9.015 1.00 . A A . 13 LEU H 1 1 8 3442 1 1 14 LEU HA H 5.177 0.052 10.343 1.00 . A A . 13 LEU HA 1 1 8 3443 1 1 14 LEU HB2 H 7.142 1.953 11.511 1.00 . A A . 13 LEU HB2 1 1 8 3444 1 1 14 LEU HB3 H 5.479 2.015 12.091 1.00 . A A . 13 LEU HB3 1 1 8 3445 1 1 14 LEU HD11 H 8.643 0.448 12.338 1.00 . A A . 13 LEU HD11 1 1 8 3446 1 1 14 LEU HD12 H 7.906 -0.837 11.383 1.00 . A A . 13 LEU HD12 1 1 8 3447 1 1 14 LEU HD13 H 8.154 -1.058 13.114 1.00 . A A . 13 LEU HD13 1 1 8 3448 1 1 14 LEU HD21 H 7.207 1.461 14.240 1.00 . A A . 13 LEU HD21 1 1 8 3449 1 1 14 LEU HD22 H 6.559 -0.106 14.726 1.00 . A A . 13 LEU HD22 1 1 8 3450 1 1 14 LEU HD23 H 5.466 1.182 14.216 1.00 . A A . 13 LEU HD23 1 1 8 3451 1 1 14 LEU HG H 5.802 -0.541 12.476 1.00 . A A . 13 LEU HG 1 1 8 3452 1 1 14 LEU N N 6.864 0.727 9.366 1.00 . A A . 13 LEU N 1 1 8 3453 1 1 14 LEU O O 4.948 3.230 10.027 1.00 . A A . 13 LEU O 1 1 8 3454 1 1 15 VAL C C 1.816 1.834 7.524 1.00 . A A . 14 VAL C 1 1 8 3455 1 1 15 VAL CA C 2.951 2.576 8.219 1.00 . A A . 14 VAL CA 1 1 8 3456 1 1 15 VAL CB C 3.652 3.491 7.199 1.00 . A A . 14 VAL CB 1 1 8 3457 1 1 15 VAL CG1 C 3.130 3.225 5.795 1.00 . A A . 14 VAL CG1 1 1 8 3458 1 1 15 VAL CG2 C 3.464 4.953 7.578 1.00 . A A . 14 VAL CG2 1 1 8 3459 1 1 15 VAL H H 3.839 0.692 8.601 1.00 . A A . 14 VAL H 1 1 8 3460 1 1 15 VAL HA H 2.538 3.194 9.003 1.00 . A A . 14 VAL HA 1 1 8 3461 1 1 15 VAL HB H 4.710 3.271 7.213 1.00 . A A . 14 VAL HB 1 1 8 3462 1 1 15 VAL HG11 H 3.239 2.176 5.564 1.00 . A A . 14 VAL HG11 1 1 8 3463 1 1 15 VAL HG12 H 2.086 3.501 5.741 1.00 . A A . 14 VAL HG12 1 1 8 3464 1 1 15 VAL HG13 H 3.695 3.810 5.084 1.00 . A A . 14 VAL HG13 1 1 8 3465 1 1 15 VAL HG21 H 3.630 5.574 6.709 1.00 . A A . 14 VAL HG21 1 1 8 3466 1 1 15 VAL HG22 H 2.458 5.104 7.942 1.00 . A A . 14 VAL HG22 1 1 8 3467 1 1 15 VAL HG23 H 4.170 5.218 8.351 1.00 . A A . 14 VAL HG23 1 1 8 3468 1 1 15 VAL N N 3.892 1.644 8.829 1.00 . A A . 14 VAL N 1 1 8 3469 1 1 15 VAL O O 2.041 0.839 6.836 1.00 . A A . 14 VAL O 1 1 8 3470 1 1 16 GLN C C -0.792 2.231 5.682 1.00 . A A . 15 GLN C 1 1 8 3471 1 1 16 GLN CA C -0.577 1.708 7.100 1.00 . A A . 15 GLN CA 1 1 8 3472 1 1 16 GLN CB C -1.821 1.975 7.949 1.00 . A A . 15 GLN CB 1 1 8 3473 1 1 16 GLN CD C -0.913 2.594 10.224 1.00 . A A . 15 GLN CD 1 1 8 3474 1 1 16 GLN CG C -1.664 1.564 9.404 1.00 . A A . 15 GLN CG 1 1 8 3475 1 1 16 GLN H H 0.479 3.121 8.269 1.00 . A A . 15 GLN H 1 1 8 3476 1 1 16 GLN HA H -0.405 0.644 7.055 1.00 . A A . 15 GLN HA 1 1 8 3477 1 1 16 GLN HB2 H -2.044 3.031 7.917 1.00 . A A . 15 GLN HB2 1 1 8 3478 1 1 16 GLN HB3 H -2.652 1.427 7.530 1.00 . A A . 15 GLN HB3 1 1 8 3479 1 1 16 GLN HE21 H -2.234 3.992 9.722 1.00 . A A . 15 GLN HE21 1 1 8 3480 1 1 16 GLN HE22 H -0.952 4.509 10.759 1.00 . A A . 15 GLN HE22 1 1 8 3481 1 1 16 GLN HG2 H -2.645 1.429 9.835 1.00 . A A . 15 GLN HG2 1 1 8 3482 1 1 16 GLN HG3 H -1.123 0.630 9.444 1.00 . A A . 15 GLN HG3 1 1 8 3483 1 1 16 GLN N N 0.594 2.325 7.709 1.00 . A A . 15 GLN N 1 1 8 3484 1 1 16 GLN NE2 N -1.417 3.823 10.236 1.00 . A A . 15 GLN NE2 1 1 8 3485 1 1 16 GLN O O -0.459 3.374 5.375 1.00 . A A . 15 GLN O 1 1 8 3486 1 1 16 GLN OE1 O 0.108 2.289 10.841 1.00 . A A . 15 GLN OE1 1 1 8 3487 1 1 17 ASN C C -2.911 1.136 2.940 1.00 . A A . 16 ASN C 1 1 8 3488 1 1 17 ASN CA C -1.612 1.762 3.440 1.00 . A A . 16 ASN CA 1 1 8 3489 1 1 17 ASN CB C -0.448 1.330 2.545 1.00 . A A . 16 ASN CB 1 1 8 3490 1 1 17 ASN CG C 0.878 1.331 3.282 1.00 . A A . 16 ASN CG 1 1 8 3491 1 1 17 ASN H H -1.598 0.486 5.129 1.00 . A A . 16 ASN H 1 1 8 3492 1 1 17 ASN HA H -1.705 2.836 3.400 1.00 . A A . 16 ASN HA 1 1 8 3493 1 1 17 ASN HB2 H -0.634 0.330 2.180 1.00 . A A . 16 ASN HB2 1 1 8 3494 1 1 17 ASN HB3 H -0.374 2.007 1.707 1.00 . A A . 16 ASN HB3 1 1 8 3495 1 1 17 ASN HD21 H 0.173 0.022 4.603 1.00 . A A . 16 ASN HD21 1 1 8 3496 1 1 17 ASN HD22 H 1.806 0.530 4.846 1.00 . A A . 16 ASN HD22 1 1 8 3497 1 1 17 ASN N N -1.353 1.385 4.825 1.00 . A A . 16 ASN N 1 1 8 3498 1 1 17 ASN ND2 N 0.961 0.548 4.351 1.00 . A A . 16 ASN ND2 1 1 8 3499 1 1 17 ASN O O -3.285 0.039 3.355 1.00 . A A . 16 ASN O 1 1 8 3500 1 1 17 ASN OD1 O 1.816 2.026 2.892 1.00 . A A . 16 ASN OD1 1 1 8 3501 1 1 18 LYS C C -4.651 0.017 0.779 1.00 . A A . 17 LYS C 1 1 8 3502 1 1 18 LYS CA C -4.850 1.356 1.484 1.00 . A A . 17 LYS CA 1 1 8 3503 1 1 18 LYS CB C -5.425 2.380 0.504 1.00 . A A . 17 LYS CB 1 1 8 3504 1 1 18 LYS CD C -5.585 3.108 -1.895 1.00 . A A . 17 LYS CD 1 1 8 3505 1 1 18 LYS CE C -5.732 4.575 -1.520 1.00 . A A . 17 LYS CE 1 1 8 3506 1 1 18 LYS CG C -4.765 2.350 -0.863 1.00 . A A . 17 LYS CG 1 1 8 3507 1 1 18 LYS H H -3.244 2.709 1.751 1.00 . A A . 17 LYS H 1 1 8 3508 1 1 18 LYS HA H -5.545 1.220 2.299 1.00 . A A . 17 LYS HA 1 1 8 3509 1 1 18 LYS HB2 H -6.480 2.186 0.376 1.00 . A A . 17 LYS HB2 1 1 8 3510 1 1 18 LYS HB3 H -5.298 3.369 0.920 1.00 . A A . 17 LYS HB3 1 1 8 3511 1 1 18 LYS HD2 H -5.092 3.042 -2.853 1.00 . A A . 17 LYS HD2 1 1 8 3512 1 1 18 LYS HD3 H -6.567 2.662 -1.960 1.00 . A A . 17 LYS HD3 1 1 8 3513 1 1 18 LYS HE2 H -6.019 5.131 -2.399 1.00 . A A . 17 LYS HE2 1 1 8 3514 1 1 18 LYS HE3 H -6.503 4.666 -0.770 1.00 . A A . 17 LYS HE3 1 1 8 3515 1 1 18 LYS HG2 H -3.788 2.803 -0.792 1.00 . A A . 17 LYS HG2 1 1 8 3516 1 1 18 LYS HG3 H -4.665 1.322 -1.182 1.00 . A A . 17 LYS HG3 1 1 8 3517 1 1 18 LYS HZ1 H -4.137 4.577 -0.171 1.00 . A A . 17 LYS HZ1 1 1 8 3518 1 1 18 LYS HZ2 H -4.613 6.121 -0.671 1.00 . A A . 17 LYS HZ2 1 1 8 3519 1 1 18 LYS HZ3 H -3.727 5.129 -1.717 1.00 . A A . 17 LYS HZ3 1 1 8 3520 1 1 18 LYS N N -3.595 1.841 2.044 1.00 . A A . 17 LYS N 1 1 8 3521 1 1 18 LYS NZ N -4.464 5.140 -0.982 1.00 . A A . 17 LYS NZ 1 1 8 3522 1 1 18 LYS O O -3.620 -0.235 0.155 1.00 . A A . 17 LYS O 1 1 8 3523 1 1 19 PRO C C -5.702 -2.114 -1.266 1.00 . A A . 18 PRO C 1 1 8 3524 1 1 19 PRO CA C -5.619 -2.186 0.254 1.00 . A A . 18 PRO CA 1 1 8 3525 1 1 19 PRO CB C -6.857 -2.884 0.824 1.00 . A A . 18 PRO CB 1 1 8 3526 1 1 19 PRO CD C -6.919 -0.627 1.606 1.00 . A A . 18 PRO CD 1 1 8 3527 1 1 19 PRO CG C -7.788 -1.776 1.178 1.00 . A A . 18 PRO CG 1 1 8 3528 1 1 19 PRO HA H -4.732 -2.732 0.541 1.00 . A A . 18 PRO HA 1 1 8 3529 1 1 19 PRO HB2 H -7.284 -3.536 0.074 1.00 . A A . 18 PRO HB2 1 1 8 3530 1 1 19 PRO HB3 H -6.581 -3.461 1.694 1.00 . A A . 18 PRO HB3 1 1 8 3531 1 1 19 PRO HD2 H -7.364 0.313 1.313 1.00 . A A . 18 PRO HD2 1 1 8 3532 1 1 19 PRO HD3 H -6.757 -0.653 2.674 1.00 . A A . 18 PRO HD3 1 1 8 3533 1 1 19 PRO HG2 H -8.376 -1.502 0.316 1.00 . A A . 18 PRO HG2 1 1 8 3534 1 1 19 PRO HG3 H -8.430 -2.082 1.990 1.00 . A A . 18 PRO HG3 1 1 8 3535 1 1 19 PRO N N -5.660 -0.860 0.878 1.00 . A A . 18 PRO N 1 1 8 3536 1 1 19 PRO O O -5.504 -3.115 -1.955 1.00 . A A . 18 PRO O 1 1 8 3537 1 1 20 GLU C C -4.742 -0.397 -3.831 1.00 . A A . 19 GLU C 1 1 8 3538 1 1 20 GLU CA C -6.103 -0.724 -3.223 1.00 . A A . 19 GLU CA 1 1 8 3539 1 1 20 GLU CB C -7.095 0.401 -3.531 1.00 . A A . 19 GLU CB 1 1 8 3540 1 1 20 GLU CD C -9.317 1.459 -2.965 1.00 . A A . 19 GLU CD 1 1 8 3541 1 1 20 GLU CG C -8.221 0.513 -2.517 1.00 . A A . 19 GLU CG 1 1 8 3542 1 1 20 GLU H H -6.141 -0.165 -1.182 1.00 . A A . 19 GLU H 1 1 8 3543 1 1 20 GLU HA H -6.468 -1.642 -3.659 1.00 . A A . 19 GLU HA 1 1 8 3544 1 1 20 GLU HB2 H -6.561 1.339 -3.551 1.00 . A A . 19 GLU HB2 1 1 8 3545 1 1 20 GLU HB3 H -7.531 0.223 -4.503 1.00 . A A . 19 GLU HB3 1 1 8 3546 1 1 20 GLU HG2 H -8.651 -0.466 -2.366 1.00 . A A . 19 GLU HG2 1 1 8 3547 1 1 20 GLU HG3 H -7.814 0.873 -1.583 1.00 . A A . 19 GLU HG3 1 1 8 3548 1 1 20 GLU N N -5.995 -0.924 -1.783 1.00 . A A . 19 GLU N 1 1 8 3549 1 1 20 GLU O O -4.597 -0.321 -5.051 1.00 . A A . 19 GLU O 1 1 8 3550 1 1 20 GLU OE1 O -9.681 1.422 -4.159 1.00 . A A . 19 GLU OE1 1 1 8 3551 1 1 20 GLU OE2 O -9.810 2.239 -2.123 1.00 . A A . 19 GLU OE2 1 1 8 3552 1 1 21 ALA C C -1.600 -1.156 -3.703 1.00 . A A . 20 ALA C 1 1 8 3553 1 1 21 ALA CA C -2.398 0.113 -3.423 1.00 . A A . 20 ALA CA 1 1 8 3554 1 1 21 ALA CB C -1.683 0.969 -2.388 1.00 . A A . 20 ALA CB 1 1 8 3555 1 1 21 ALA H H -3.925 -0.279 -2.011 1.00 . A A . 20 ALA H 1 1 8 3556 1 1 21 ALA HA H -2.478 0.686 -4.336 1.00 . A A . 20 ALA HA 1 1 8 3557 1 1 21 ALA HB1 H -2.211 1.905 -2.271 1.00 . A A . 20 ALA HB1 1 1 8 3558 1 1 21 ALA HB2 H -1.661 0.448 -1.443 1.00 . A A . 20 ALA HB2 1 1 8 3559 1 1 21 ALA HB3 H -0.674 1.164 -2.717 1.00 . A A . 20 ALA HB3 1 1 8 3560 1 1 21 ALA N N -3.747 -0.205 -2.971 1.00 . A A . 20 ALA N 1 1 8 3561 1 1 21 ALA O O -2.038 -2.260 -3.378 1.00 . A A . 20 ALA O 1 1 8 3562 1 1 22 ILE C C 1.686 -2.125 -3.773 1.00 . A A . 21 ILE C 1 1 8 3563 1 1 22 ILE CA C 0.427 -2.124 -4.634 1.00 . A A . 21 ILE CA 1 1 8 3564 1 1 22 ILE CB C 0.835 -2.115 -6.120 1.00 . A A . 21 ILE CB 1 1 8 3565 1 1 22 ILE CD1 C -1.526 -2.986 -6.497 1.00 . A A . 21 ILE CD1 1 1 8 3566 1 1 22 ILE CG1 C -0.407 -2.107 -7.012 1.00 . A A . 21 ILE CG1 1 1 8 3567 1 1 22 ILE CG2 C 1.714 -3.316 -6.435 1.00 . A A . 21 ILE CG2 1 1 8 3568 1 1 22 ILE H H -0.136 -0.087 -4.544 1.00 . A A . 21 ILE H 1 1 8 3569 1 1 22 ILE HA H -0.129 -3.030 -4.440 1.00 . A A . 21 ILE HA 1 1 8 3570 1 1 22 ILE HB H 1.409 -1.220 -6.307 1.00 . A A . 21 ILE HB 1 1 8 3571 1 1 22 ILE HD11 H -1.937 -2.555 -5.596 1.00 . A A . 21 ILE HD11 1 1 8 3572 1 1 22 ILE HD12 H -2.299 -3.062 -7.247 1.00 . A A . 21 ILE HD12 1 1 8 3573 1 1 22 ILE HD13 H -1.139 -3.971 -6.279 1.00 . A A . 21 ILE HD13 1 1 8 3574 1 1 22 ILE HG12 H -0.784 -1.100 -7.085 1.00 . A A . 21 ILE HG12 1 1 8 3575 1 1 22 ILE HG13 H -0.136 -2.458 -7.997 1.00 . A A . 21 ILE HG13 1 1 8 3576 1 1 22 ILE HG21 H 1.428 -3.729 -7.391 1.00 . A A . 21 ILE HG21 1 1 8 3577 1 1 22 ILE HG22 H 2.748 -3.005 -6.472 1.00 . A A . 21 ILE HG22 1 1 8 3578 1 1 22 ILE HG23 H 1.589 -4.065 -5.668 1.00 . A A . 21 ILE HG23 1 1 8 3579 1 1 22 ILE N N -0.430 -0.991 -4.310 1.00 . A A . 21 ILE N 1 1 8 3580 1 1 22 ILE O O 2.319 -3.163 -3.578 1.00 . A A . 21 ILE O 1 1 8 3581 1 1 23 LYS C C 2.975 0.174 -1.283 1.00 . A A . 22 LYS C 1 1 8 3582 1 1 23 LYS CA C 3.226 -0.817 -2.416 1.00 . A A . 22 LYS CA 1 1 8 3583 1 1 23 LYS CB C 4.425 -0.360 -3.250 1.00 . A A . 22 LYS CB 1 1 8 3584 1 1 23 LYS CD C 5.253 1.137 -5.091 1.00 . A A . 22 LYS CD 1 1 8 3585 1 1 23 LYS CE C 4.962 2.368 -5.935 1.00 . A A . 22 LYS CE 1 1 8 3586 1 1 23 LYS CG C 4.153 0.889 -4.071 1.00 . A A . 22 LYS CG 1 1 8 3587 1 1 23 LYS H H 1.501 -0.160 -3.450 1.00 . A A . 22 LYS H 1 1 8 3588 1 1 23 LYS HA H 3.444 -1.785 -1.990 1.00 . A A . 22 LYS HA 1 1 8 3589 1 1 23 LYS HB2 H 5.254 -0.157 -2.588 1.00 . A A . 22 LYS HB2 1 1 8 3590 1 1 23 LYS HB3 H 4.702 -1.156 -3.926 1.00 . A A . 22 LYS HB3 1 1 8 3591 1 1 23 LYS HD2 H 6.188 1.283 -4.571 1.00 . A A . 22 LYS HD2 1 1 8 3592 1 1 23 LYS HD3 H 5.329 0.276 -5.740 1.00 . A A . 22 LYS HD3 1 1 8 3593 1 1 23 LYS HE2 H 4.928 3.232 -5.289 1.00 . A A . 22 LYS HE2 1 1 8 3594 1 1 23 LYS HE3 H 5.757 2.489 -6.656 1.00 . A A . 22 LYS HE3 1 1 8 3595 1 1 23 LYS HG2 H 3.214 0.771 -4.591 1.00 . A A . 22 LYS HG2 1 1 8 3596 1 1 23 LYS HG3 H 4.093 1.740 -3.406 1.00 . A A . 22 LYS HG3 1 1 8 3597 1 1 23 LYS HZ1 H 3.791 2.503 -7.659 1.00 . A A . 22 LYS HZ1 1 1 8 3598 1 1 23 LYS HZ2 H 2.963 2.894 -6.236 1.00 . A A . 22 LYS HZ2 1 1 8 3599 1 1 23 LYS HZ3 H 3.308 1.278 -6.597 1.00 . A A . 22 LYS HZ3 1 1 8 3600 1 1 23 LYS N N 2.045 -0.954 -3.258 1.00 . A A . 22 LYS N 1 1 8 3601 1 1 23 LYS NZ N 3.665 2.252 -6.658 1.00 . A A . 22 LYS NZ 1 1 8 3602 1 1 23 LYS O O 1.896 0.759 -1.185 1.00 . A A . 22 LYS O 1 1 8 3603 1 1 24 CYS C C 3.943 2.726 0.223 1.00 . A A . 23 CYS C 1 1 8 3604 1 1 24 CYS CA C 3.866 1.276 0.696 1.00 . A A . 23 CYS CA 1 1 8 3605 1 1 24 CYS CB C 4.972 1.002 1.717 1.00 . A A . 23 CYS CB 1 1 8 3606 1 1 24 CYS H H 4.813 -0.140 -0.560 1.00 . A A . 23 CYS H 1 1 8 3607 1 1 24 CYS HA H 2.908 1.114 1.163 1.00 . A A . 23 CYS HA 1 1 8 3608 1 1 24 CYS HB2 H 5.224 -0.048 1.689 1.00 . A A . 23 CYS HB2 1 1 8 3609 1 1 24 CYS HB3 H 5.844 1.583 1.457 1.00 . A A . 23 CYS HB3 1 1 8 3610 1 1 24 CYS N N 3.978 0.357 -0.430 1.00 . A A . 23 CYS N 1 1 8 3611 1 1 24 CYS O O 4.544 3.022 -0.811 1.00 . A A . 23 CYS O 1 1 8 3612 1 1 24 CYS SG S 4.519 1.417 3.432 1.00 . A A . 23 CYS SG 1 1 8 3613 1 1 25 VAL C C 4.318 5.815 1.518 1.00 . A A . 24 VAL C 1 1 8 3614 1 1 25 VAL CA C 3.332 5.043 0.649 1.00 . A A . 24 VAL CA 1 1 8 3615 1 1 25 VAL CB C 1.930 5.658 0.812 1.00 . A A . 24 VAL CB 1 1 8 3616 1 1 25 VAL CG1 C 1.645 5.960 2.275 1.00 . A A . 24 VAL CG1 1 1 8 3617 1 1 25 VAL CG2 C 1.798 6.916 -0.035 1.00 . A A . 24 VAL CG2 1 1 8 3618 1 1 25 VAL H H 2.871 3.327 1.799 1.00 . A A . 24 VAL H 1 1 8 3619 1 1 25 VAL HA H 3.627 5.139 -0.386 1.00 . A A . 24 VAL HA 1 1 8 3620 1 1 25 VAL HB H 1.200 4.940 0.466 1.00 . A A . 24 VAL HB 1 1 8 3621 1 1 25 VAL HG11 H 2.262 5.330 2.899 1.00 . A A . 24 VAL HG11 1 1 8 3622 1 1 25 VAL HG12 H 1.865 6.997 2.479 1.00 . A A . 24 VAL HG12 1 1 8 3623 1 1 25 VAL HG13 H 0.603 5.764 2.487 1.00 . A A . 24 VAL HG13 1 1 8 3624 1 1 25 VAL HG21 H 0.788 7.291 0.034 1.00 . A A . 24 VAL HG21 1 1 8 3625 1 1 25 VAL HG22 H 2.488 7.666 0.325 1.00 . A A . 24 VAL HG22 1 1 8 3626 1 1 25 VAL HG23 H 2.027 6.683 -1.065 1.00 . A A . 24 VAL HG23 1 1 8 3627 1 1 25 VAL N N 3.332 3.625 0.988 1.00 . A A . 24 VAL N 1 1 8 3628 1 1 25 VAL O O 4.246 7.039 1.619 1.00 . A A . 24 VAL O 1 1 8 3629 1 1 26 ALA C C 7.637 5.179 2.686 1.00 . A A . 25 ALA C 1 1 8 3630 1 1 26 ALA CA C 6.243 5.708 3.003 1.00 . A A . 25 ALA CA 1 1 8 3631 1 1 26 ALA CB C 5.905 5.468 4.467 1.00 . A A . 25 ALA CB 1 1 8 3632 1 1 26 ALA H H 5.246 4.118 2.025 1.00 . A A . 25 ALA H 1 1 8 3633 1 1 26 ALA HA H 6.223 6.774 2.825 1.00 . A A . 25 ALA HA 1 1 8 3634 1 1 26 ALA HB1 H 6.250 4.486 4.758 1.00 . A A . 25 ALA HB1 1 1 8 3635 1 1 26 ALA HB2 H 6.389 6.217 5.076 1.00 . A A . 25 ALA HB2 1 1 8 3636 1 1 26 ALA HB3 H 4.836 5.528 4.603 1.00 . A A . 25 ALA HB3 1 1 8 3637 1 1 26 ALA N N 5.240 5.091 2.144 1.00 . A A . 25 ALA N 1 1 8 3638 1 1 26 ALA O O 8.597 5.945 2.592 1.00 . A A . 25 ALA O 1 1 8 3639 1 1 27 CYS C C 9.009 2.628 0.818 1.00 . A A . 26 CYS C 1 1 8 3640 1 1 27 CYS CA C 9.022 3.232 2.219 1.00 . A A . 26 CYS CA 1 1 8 3641 1 1 27 CYS CB C 9.336 2.147 3.251 1.00 . A A . 26 CYS CB 1 1 8 3642 1 1 27 CYS H H 6.943 3.306 2.611 1.00 . A A . 26 CYS H 1 1 8 3643 1 1 27 CYS HA H 9.787 3.992 2.264 1.00 . A A . 26 CYS HA 1 1 8 3644 1 1 27 CYS HB2 H 10.377 1.870 3.165 1.00 . A A . 26 CYS HB2 1 1 8 3645 1 1 27 CYS HB3 H 9.155 2.539 4.241 1.00 . A A . 26 CYS HB3 1 1 8 3646 1 1 27 CYS N N 7.743 3.865 2.524 1.00 . A A . 26 CYS N 1 1 8 3647 1 1 27 CYS O O 10.051 2.243 0.288 1.00 . A A . 26 CYS O 1 1 8 3648 1 1 27 CYS SG S 8.343 0.632 3.063 1.00 . A A . 26 CYS SG 1 1 8 3649 1 1 28 GLU C C 7.960 0.493 -1.115 1.00 . A A . 27 GLU C 1 1 8 3650 1 1 28 GLU CA C 7.674 1.993 -1.116 1.00 . A A . 27 GLU CA 1 1 8 3651 1 1 28 GLU CB C 8.613 2.703 -2.094 1.00 . A A . 27 GLU CB 1 1 8 3652 1 1 28 GLU CD C 9.235 4.994 -2.953 1.00 . A A . 27 GLU CD 1 1 8 3653 1 1 28 GLU CG C 8.870 4.158 -1.743 1.00 . A A . 27 GLU CG 1 1 8 3654 1 1 28 GLU H H 7.027 2.874 0.698 1.00 . A A . 27 GLU H 1 1 8 3655 1 1 28 GLU HA H 6.654 2.152 -1.430 1.00 . A A . 27 GLU HA 1 1 8 3656 1 1 28 GLU HB2 H 9.559 2.183 -2.107 1.00 . A A . 27 GLU HB2 1 1 8 3657 1 1 28 GLU HB3 H 8.178 2.664 -3.081 1.00 . A A . 27 GLU HB3 1 1 8 3658 1 1 28 GLU HG2 H 7.978 4.571 -1.296 1.00 . A A . 27 GLU HG2 1 1 8 3659 1 1 28 GLU HG3 H 9.681 4.205 -1.032 1.00 . A A . 27 GLU HG3 1 1 8 3660 1 1 28 GLU N N 7.821 2.550 0.224 1.00 . A A . 27 GLU N 1 1 8 3661 1 1 28 GLU O O 8.689 -0.011 -1.970 1.00 . A A . 27 GLU O 1 1 8 3662 1 1 28 GLU OE1 O 10.007 4.504 -3.804 1.00 . A A . 27 GLU OE1 1 1 8 3663 1 1 28 GLU OE2 O 8.749 6.140 -3.051 1.00 . A A . 27 GLU OE2 1 1 8 3664 1 1 29 THR C C 6.542 -2.414 -0.860 1.00 . A A . 28 THR C 1 1 8 3665 1 1 29 THR CA C 7.575 -1.654 -0.037 1.00 . A A . 28 THR CA 1 1 8 3666 1 1 29 THR CB C 7.489 -2.119 1.429 1.00 . A A . 28 THR CB 1 1 8 3667 1 1 29 THR CG2 C 6.668 -3.393 1.546 1.00 . A A . 28 THR CG2 1 1 8 3668 1 1 29 THR H H 6.811 0.245 0.501 1.00 . A A . 28 THR H 1 1 8 3669 1 1 29 THR HA H 8.562 -1.888 -0.410 1.00 . A A . 28 THR HA 1 1 8 3670 1 1 29 THR HB H 7.008 -1.343 2.009 1.00 . A A . 28 THR HB 1 1 8 3671 1 1 29 THR HG1 H 8.742 -2.804 2.790 1.00 . A A . 28 THR HG1 1 1 8 3672 1 1 29 THR HG21 H 7.122 -4.170 0.948 1.00 . A A . 28 THR HG21 1 1 8 3673 1 1 29 THR HG22 H 5.664 -3.208 1.194 1.00 . A A . 28 THR HG22 1 1 8 3674 1 1 29 THR HG23 H 6.635 -3.706 2.579 1.00 . A A . 28 THR HG23 1 1 8 3675 1 1 29 THR N N 7.381 -0.214 -0.150 1.00 . A A . 28 THR N 1 1 8 3676 1 1 29 THR O O 5.383 -2.012 -0.972 1.00 . A A . 28 THR O 1 1 8 3677 1 1 29 THR OG1 O 8.805 -2.343 1.950 1.00 . A A . 28 THR OG1 1 1 8 3678 1 1 30 PRO C C 5.033 -5.101 -1.446 1.00 . A A . 29 PRO C 1 1 8 3679 1 1 30 PRO CA C 6.093 -4.381 -2.274 1.00 . A A . 29 PRO CA 1 1 8 3680 1 1 30 PRO CB C 7.058 -5.391 -2.900 1.00 . A A . 29 PRO CB 1 1 8 3681 1 1 30 PRO CD C 8.335 -4.079 -1.361 1.00 . A A . 29 PRO CD 1 1 8 3682 1 1 30 PRO CG C 8.205 -5.457 -1.951 1.00 . A A . 29 PRO CG 1 1 8 3683 1 1 30 PRO HA H 5.612 -3.809 -3.054 1.00 . A A . 29 PRO HA 1 1 8 3684 1 1 30 PRO HB2 H 6.569 -6.349 -2.996 1.00 . A A . 29 PRO HB2 1 1 8 3685 1 1 30 PRO HB3 H 7.371 -5.041 -3.872 1.00 . A A . 29 PRO HB3 1 1 8 3686 1 1 30 PRO HD2 H 8.660 -4.139 -0.334 1.00 . A A . 29 PRO HD2 1 1 8 3687 1 1 30 PRO HD3 H 9.023 -3.483 -1.943 1.00 . A A . 29 PRO HD3 1 1 8 3688 1 1 30 PRO HG2 H 7.999 -6.179 -1.175 1.00 . A A . 29 PRO HG2 1 1 8 3689 1 1 30 PRO HG3 H 9.106 -5.723 -2.483 1.00 . A A . 29 PRO HG3 1 1 8 3690 1 1 30 PRO N N 6.967 -3.541 -1.451 1.00 . A A . 29 PRO N 1 1 8 3691 1 1 30 PRO O O 5.347 -5.983 -0.648 1.00 . A A . 29 PRO O 1 1 8 3692 1 1 31 LYS C C 2.708 -6.847 -1.037 1.00 . A A . 30 LYS C 1 1 8 3693 1 1 31 LYS CA C 2.669 -5.327 -0.916 1.00 . A A . 30 LYS CA 1 1 8 3694 1 1 31 LYS CB C 1.333 -4.798 -1.443 1.00 . A A . 30 LYS CB 1 1 8 3695 1 1 31 LYS CD C -1.044 -5.495 -1.863 1.00 . A A . 30 LYS CD 1 1 8 3696 1 1 31 LYS CE C -2.069 -4.448 -1.455 1.00 . A A . 30 LYS CE 1 1 8 3697 1 1 31 LYS CG C 0.125 -5.537 -0.893 1.00 . A A . 30 LYS CG 1 1 8 3698 1 1 31 LYS H H 3.589 -4.008 -2.293 1.00 . A A . 30 LYS H 1 1 8 3699 1 1 31 LYS HA H 2.767 -5.058 0.126 1.00 . A A . 30 LYS HA 1 1 8 3700 1 1 31 LYS HB2 H 1.242 -3.754 -1.177 1.00 . A A . 30 LYS HB2 1 1 8 3701 1 1 31 LYS HB3 H 1.324 -4.887 -2.519 1.00 . A A . 30 LYS HB3 1 1 8 3702 1 1 31 LYS HD2 H -0.674 -5.256 -2.848 1.00 . A A . 30 LYS HD2 1 1 8 3703 1 1 31 LYS HD3 H -1.520 -6.465 -1.880 1.00 . A A . 30 LYS HD3 1 1 8 3704 1 1 31 LYS HE2 H -2.422 -4.676 -0.461 1.00 . A A . 30 LYS HE2 1 1 8 3705 1 1 31 LYS HE3 H -1.593 -3.478 -1.455 1.00 . A A . 30 LYS HE3 1 1 8 3706 1 1 31 LYS HG2 H 0.396 -6.568 -0.716 1.00 . A A . 30 LYS HG2 1 1 8 3707 1 1 31 LYS HG3 H -0.174 -5.076 0.038 1.00 . A A . 30 LYS HG3 1 1 8 3708 1 1 31 LYS HZ1 H -3.534 -3.435 -2.546 1.00 . A A . 30 LYS HZ1 1 1 8 3709 1 1 31 LYS HZ2 H -4.025 -4.954 -1.985 1.00 . A A . 30 LYS HZ2 1 1 8 3710 1 1 31 LYS HZ3 H -2.967 -4.839 -3.300 1.00 . A A . 30 LYS HZ3 1 1 8 3711 1 1 31 LYS N N 3.776 -4.718 -1.642 1.00 . A A . 30 LYS N 1 1 8 3712 1 1 31 LYS NZ N -3.230 -4.417 -2.386 1.00 . A A . 30 LYS NZ 1 1 8 3713 1 1 31 LYS O O 3.056 -7.402 -2.079 1.00 . A A . 30 LYS O 1 1 8 3714 1 1 32 PRO C C 1.220 -9.594 -0.773 1.00 . A A . 31 PRO C 1 1 8 3715 1 1 32 PRO CA C 2.327 -9.003 0.094 1.00 . A A . 31 PRO CA 1 1 8 3716 1 1 32 PRO CB C 2.075 -9.315 1.571 1.00 . A A . 31 PRO CB 1 1 8 3717 1 1 32 PRO CD C 1.917 -6.942 1.332 1.00 . A A . 31 PRO CD 1 1 8 3718 1 1 32 PRO CG C 1.367 -8.114 2.096 1.00 . A A . 31 PRO CG 1 1 8 3719 1 1 32 PRO HA H 3.278 -9.419 -0.207 1.00 . A A . 31 PRO HA 1 1 8 3720 1 1 32 PRO HB2 H 1.464 -10.203 1.654 1.00 . A A . 31 PRO HB2 1 1 8 3721 1 1 32 PRO HB3 H 3.017 -9.470 2.075 1.00 . A A . 31 PRO HB3 1 1 8 3722 1 1 32 PRO HD2 H 1.149 -6.200 1.173 1.00 . A A . 31 PRO HD2 1 1 8 3723 1 1 32 PRO HD3 H 2.758 -6.511 1.855 1.00 . A A . 31 PRO HD3 1 1 8 3724 1 1 32 PRO HG2 H 0.306 -8.209 1.924 1.00 . A A . 31 PRO HG2 1 1 8 3725 1 1 32 PRO HG3 H 1.570 -8.002 3.151 1.00 . A A . 31 PRO HG3 1 1 8 3726 1 1 32 PRO N N 2.343 -7.538 0.053 1.00 . A A . 31 PRO N 1 1 8 3727 1 1 32 PRO O O 0.157 -9.923 -0.249 1.00 . A A . 31 PRO O 1 1 8 3728 2 2 1 ZN ZN ZN 6.514 0.798 4.611 1.00 . B A . 32 ZN ZN 1 1 9 3729 1 1 2 HIS C C -14.245 8.385 6.697 1.00 . A A . 1 HIS C 1 1 9 3730 1 1 2 HIS CA C -15.683 8.824 6.953 1.00 . A A . 1 HIS CA 1 1 9 3731 1 1 2 HIS CB C -16.077 9.924 5.966 1.00 . A A . 1 HIS CB 1 1 9 3732 1 1 2 HIS CD2 C -16.000 9.210 3.474 1.00 . A A . 1 HIS CD2 1 1 9 3733 1 1 2 HIS CE1 C -13.956 9.861 3.018 1.00 . A A . 1 HIS CE1 1 1 9 3734 1 1 2 HIS CG C -15.482 9.747 4.604 1.00 . A A . 1 HIS CG 1 1 9 3735 1 1 2 HIS H H -15.691 10.237 8.529 1.00 . A A . 1 HIS H 1 1 9 3736 1 1 2 HIS HA H -16.336 7.976 6.812 1.00 . A A . 1 HIS HA 1 1 9 3737 1 1 2 HIS HB2 H -17.151 9.936 5.860 1.00 . A A . 1 HIS HB2 1 1 9 3738 1 1 2 HIS HB3 H -15.748 10.878 6.352 1.00 . A A . 1 HIS HB3 1 1 9 3739 1 1 2 HIS HD1 H -13.564 10.571 4.895 1.00 . A A . 1 HIS HD1 1 1 9 3740 1 1 2 HIS HD2 H -16.990 8.794 3.358 1.00 . A A . 1 HIS HD2 1 1 9 3741 1 1 2 HIS HE1 H -13.035 10.058 2.491 1.00 . A A . 1 HIS HE1 1 1 9 3742 1 1 2 HIS N N -15.846 9.291 8.325 1.00 . A A . 1 HIS N 1 1 9 3743 1 1 2 HIS ND1 N -14.200 10.144 4.285 1.00 . A A . 1 HIS ND1 1 1 9 3744 1 1 2 HIS NE2 N -15.032 9.293 2.502 1.00 . A A . 1 HIS NE2 1 1 9 3745 1 1 2 HIS O O -13.307 9.159 6.880 1.00 . A A . 1 HIS O 1 1 9 3746 1 1 3 MET C C -12.858 5.286 5.212 1.00 . A A . 2 MET C 1 1 9 3747 1 1 3 MET CA C -12.756 6.594 5.988 1.00 . A A . 2 MET CA 1 1 9 3748 1 1 3 MET CB C -11.985 6.369 7.291 1.00 . A A . 2 MET CB 1 1 9 3749 1 1 3 MET CE C -8.650 7.035 5.292 1.00 . A A . 2 MET CE 1 1 9 3750 1 1 3 MET CG C -10.518 6.034 7.078 1.00 . A A . 2 MET CG 1 1 9 3751 1 1 3 MET H H -14.866 6.566 6.141 1.00 . A A . 2 MET H 1 1 9 3752 1 1 3 MET HA H -12.224 7.316 5.386 1.00 . A A . 2 MET HA 1 1 9 3753 1 1 3 MET HB2 H -12.045 7.265 7.890 1.00 . A A . 2 MET HB2 1 1 9 3754 1 1 3 MET HB3 H -12.444 5.553 7.831 1.00 . A A . 2 MET HB3 1 1 9 3755 1 1 3 MET HE1 H -8.689 7.854 4.591 1.00 . A A . 2 MET HE1 1 1 9 3756 1 1 3 MET HE2 H -7.620 6.804 5.520 1.00 . A A . 2 MET HE2 1 1 9 3757 1 1 3 MET HE3 H -9.127 6.167 4.861 1.00 . A A . 2 MET HE3 1 1 9 3758 1 1 3 MET HG2 H -10.148 5.521 7.954 1.00 . A A . 2 MET HG2 1 1 9 3759 1 1 3 MET HG3 H -10.432 5.382 6.221 1.00 . A A . 2 MET HG3 1 1 9 3760 1 1 3 MET N N -14.080 7.136 6.270 1.00 . A A . 2 MET N 1 1 9 3761 1 1 3 MET O O -13.742 4.467 5.467 1.00 . A A . 2 MET O 1 1 9 3762 1 1 3 MET SD S -9.504 7.498 6.798 1.00 . A A . 2 MET SD 1 1 9 3763 1 1 4 VAL C C -11.915 2.635 4.320 1.00 . A A . 3 VAL C 1 1 9 3764 1 1 4 VAL CA C -11.937 3.885 3.447 1.00 . A A . 3 VAL CA 1 1 9 3765 1 1 4 VAL CB C -10.722 3.857 2.500 1.00 . A A . 3 VAL CB 1 1 9 3766 1 1 4 VAL CG1 C -9.470 3.428 3.250 1.00 . A A . 3 VAL CG1 1 1 9 3767 1 1 4 VAL CG2 C -10.988 2.936 1.319 1.00 . A A . 3 VAL CG2 1 1 9 3768 1 1 4 VAL H H -11.270 5.782 4.104 1.00 . A A . 3 VAL H 1 1 9 3769 1 1 4 VAL HA H -12.835 3.876 2.846 1.00 . A A . 3 VAL HA 1 1 9 3770 1 1 4 VAL HB H -10.564 4.856 2.121 1.00 . A A . 3 VAL HB 1 1 9 3771 1 1 4 VAL HG11 H -8.596 3.704 2.678 1.00 . A A . 3 VAL HG11 1 1 9 3772 1 1 4 VAL HG12 H -9.441 3.917 4.213 1.00 . A A . 3 VAL HG12 1 1 9 3773 1 1 4 VAL HG13 H -9.484 2.357 3.390 1.00 . A A . 3 VAL HG13 1 1 9 3774 1 1 4 VAL HG21 H -11.529 3.476 0.556 1.00 . A A . 3 VAL HG21 1 1 9 3775 1 1 4 VAL HG22 H -10.049 2.586 0.916 1.00 . A A . 3 VAL HG22 1 1 9 3776 1 1 4 VAL HG23 H -11.575 2.091 1.647 1.00 . A A . 3 VAL HG23 1 1 9 3777 1 1 4 VAL N N -11.949 5.095 4.261 1.00 . A A . 3 VAL N 1 1 9 3778 1 1 4 VAL O O -11.385 2.652 5.431 1.00 . A A . 3 VAL O 1 1 9 3779 1 1 5 ILE C C -11.397 -0.626 4.127 1.00 . A A . 4 ILE C 1 1 9 3780 1 1 5 ILE CA C -12.539 0.294 4.542 1.00 . A A . 4 ILE CA 1 1 9 3781 1 1 5 ILE CB C -13.878 -0.437 4.324 1.00 . A A . 4 ILE CB 1 1 9 3782 1 1 5 ILE CD1 C -15.510 1.337 3.505 1.00 . A A . 4 ILE CD1 1 1 9 3783 1 1 5 ILE CG1 C -15.049 0.485 4.668 1.00 . A A . 4 ILE CG1 1 1 9 3784 1 1 5 ILE CG2 C -13.931 -1.705 5.162 1.00 . A A . 4 ILE CG2 1 1 9 3785 1 1 5 ILE H H -12.899 1.603 2.919 1.00 . A A . 4 ILE H 1 1 9 3786 1 1 5 ILE HA H -12.442 0.518 5.596 1.00 . A A . 4 ILE HA 1 1 9 3787 1 1 5 ILE HB H -13.943 -0.718 3.284 1.00 . A A . 4 ILE HB 1 1 9 3788 1 1 5 ILE HD11 H -15.737 0.702 2.662 1.00 . A A . 4 ILE HD11 1 1 9 3789 1 1 5 ILE HD12 H -16.392 1.889 3.790 1.00 . A A . 4 ILE HD12 1 1 9 3790 1 1 5 ILE HD13 H -14.725 2.028 3.233 1.00 . A A . 4 ILE HD13 1 1 9 3791 1 1 5 ILE HG12 H -15.885 -0.113 4.993 1.00 . A A . 4 ILE HG12 1 1 9 3792 1 1 5 ILE HG13 H -14.753 1.147 5.468 1.00 . A A . 4 ILE HG13 1 1 9 3793 1 1 5 ILE HG21 H -14.898 -1.783 5.635 1.00 . A A . 4 ILE HG21 1 1 9 3794 1 1 5 ILE HG22 H -13.772 -2.564 4.525 1.00 . A A . 4 ILE HG22 1 1 9 3795 1 1 5 ILE HG23 H -13.161 -1.671 5.918 1.00 . A A . 4 ILE HG23 1 1 9 3796 1 1 5 ILE N N -12.494 1.554 3.810 1.00 . A A . 4 ILE N 1 1 9 3797 1 1 5 ILE O O -11.163 -0.846 2.939 1.00 . A A . 4 ILE O 1 1 9 3798 1 1 6 GLY C C -8.250 -1.325 4.763 1.00 . A A . 5 GLY C 1 1 9 3799 1 1 6 GLY CA C -9.576 -2.054 4.831 1.00 . A A . 5 GLY CA 1 1 9 3800 1 1 6 GLY H H -10.918 -0.951 6.044 1.00 . A A . 5 GLY H 1 1 9 3801 1 1 6 GLY HA2 H -9.524 -2.804 5.607 1.00 . A A . 5 GLY HA2 1 1 9 3802 1 1 6 GLY HA3 H -9.755 -2.542 3.884 1.00 . A A . 5 GLY HA3 1 1 9 3803 1 1 6 GLY N N -10.686 -1.163 5.115 1.00 . A A . 5 GLY N 1 1 9 3804 1 1 6 GLY O O -8.182 -0.182 4.310 1.00 . A A . 5 GLY O 1 1 9 3805 1 1 7 THR C C -4.818 -2.366 5.749 1.00 . A A . 6 THR C 1 1 9 3806 1 1 7 THR CA C -5.858 -1.393 5.207 1.00 . A A . 6 THR CA 1 1 9 3807 1 1 7 THR CB C -5.814 -0.097 6.039 1.00 . A A . 6 THR CB 1 1 9 3808 1 1 7 THR CG2 C -6.099 1.116 5.167 1.00 . A A . 6 THR CG2 1 1 9 3809 1 1 7 THR H H -7.306 -2.894 5.565 1.00 . A A . 6 THR H 1 1 9 3810 1 1 7 THR HA H -5.608 -1.147 4.185 1.00 . A A . 6 THR HA 1 1 9 3811 1 1 7 THR HB H -4.826 0.008 6.464 1.00 . A A . 6 THR HB 1 1 9 3812 1 1 7 THR HG1 H -6.334 -0.011 7.939 1.00 . A A . 6 THR HG1 1 1 9 3813 1 1 7 THR HG21 H -6.221 0.801 4.141 1.00 . A A . 6 THR HG21 1 1 9 3814 1 1 7 THR HG22 H -5.274 1.810 5.235 1.00 . A A . 6 THR HG22 1 1 9 3815 1 1 7 THR HG23 H -7.004 1.599 5.506 1.00 . A A . 6 THR HG23 1 1 9 3816 1 1 7 THR N N -7.189 -1.985 5.216 1.00 . A A . 6 THR N 1 1 9 3817 1 1 7 THR O O -5.132 -3.232 6.567 1.00 . A A . 6 THR O 1 1 9 3818 1 1 7 THR OG1 O -6.774 -0.163 7.100 1.00 . A A . 6 THR OG1 1 1 9 3819 1 1 8 TRP C C -1.329 -2.267 6.275 1.00 . A A . 7 TRP C 1 1 9 3820 1 1 8 TRP CA C -2.494 -3.087 5.732 1.00 . A A . 7 TRP CA 1 1 9 3821 1 1 8 TRP CB C -2.018 -3.969 4.577 1.00 . A A . 7 TRP CB 1 1 9 3822 1 1 8 TRP CD1 C -2.697 -2.693 2.461 1.00 . A A . 7 TRP CD1 1 1 9 3823 1 1 8 TRP CD2 C -0.485 -2.870 2.758 1.00 . A A . 7 TRP CD2 1 1 9 3824 1 1 8 TRP CE2 C -0.722 -2.154 1.568 1.00 . A A . 7 TRP CE2 1 1 9 3825 1 1 8 TRP CE3 C 0.836 -3.106 3.150 1.00 . A A . 7 TRP CE3 1 1 9 3826 1 1 8 TRP CG C -1.761 -3.206 3.312 1.00 . A A . 7 TRP CG 1 1 9 3827 1 1 8 TRP CH2 C 1.595 -1.917 1.178 1.00 . A A . 7 TRP CH2 1 1 9 3828 1 1 8 TRP CZ2 C 0.312 -1.673 0.771 1.00 . A A . 7 TRP CZ2 1 1 9 3829 1 1 8 TRP CZ3 C 1.861 -2.628 2.357 1.00 . A A . 7 TRP CZ3 1 1 9 3830 1 1 8 TRP H H -3.392 -1.510 4.641 1.00 . A A . 7 TRP H 1 1 9 3831 1 1 8 TRP HA H -2.875 -3.718 6.522 1.00 . A A . 7 TRP HA 1 1 9 3832 1 1 8 TRP HB2 H -1.099 -4.460 4.862 1.00 . A A . 7 TRP HB2 1 1 9 3833 1 1 8 TRP HB3 H -2.771 -4.715 4.369 1.00 . A A . 7 TRP HB3 1 1 9 3834 1 1 8 TRP HD1 H -3.763 -2.781 2.605 1.00 . A A . 7 TRP HD1 1 1 9 3835 1 1 8 TRP HE1 H -2.537 -1.611 0.667 1.00 . A A . 7 TRP HE1 1 1 9 3836 1 1 8 TRP HE3 H 1.061 -3.652 4.054 1.00 . A A . 7 TRP HE3 1 1 9 3837 1 1 8 TRP HH2 H 2.426 -1.562 0.590 1.00 . A A . 7 TRP HH2 1 1 9 3838 1 1 8 TRP HZ2 H 0.123 -1.122 -0.140 1.00 . A A . 7 TRP HZ2 1 1 9 3839 1 1 8 TRP HZ3 H 2.888 -2.800 2.643 1.00 . A A . 7 TRP HZ3 1 1 9 3840 1 1 8 TRP N N -3.580 -2.218 5.291 1.00 . A A . 7 TRP N 1 1 9 3841 1 1 8 TRP NE1 N -2.079 -2.060 1.410 1.00 . A A . 7 TRP NE1 1 1 9 3842 1 1 8 TRP O O -0.928 -1.269 5.676 1.00 . A A . 7 TRP O 1 1 9 3843 1 1 9 ASP C C 1.660 -2.560 7.543 1.00 . A A . 8 ASP C 1 1 9 3844 1 1 9 ASP CA C 0.330 -1.998 8.036 1.00 . A A . 8 ASP CA 1 1 9 3845 1 1 9 ASP CB C 0.245 -2.114 9.558 1.00 . A A . 8 ASP CB 1 1 9 3846 1 1 9 ASP CG C -1.169 -1.940 10.075 1.00 . A A . 8 ASP CG 1 1 9 3847 1 1 9 ASP H H -1.155 -3.495 7.843 1.00 . A A . 8 ASP H 1 1 9 3848 1 1 9 ASP HA H 0.270 -0.956 7.759 1.00 . A A . 8 ASP HA 1 1 9 3849 1 1 9 ASP HB2 H 0.602 -3.088 9.859 1.00 . A A . 8 ASP HB2 1 1 9 3850 1 1 9 ASP HB3 H 0.869 -1.353 10.006 1.00 . A A . 8 ASP HB3 1 1 9 3851 1 1 9 ASP N N -0.791 -2.693 7.412 1.00 . A A . 8 ASP N 1 1 9 3852 1 1 9 ASP O O 1.741 -3.716 7.124 1.00 . A A . 8 ASP O 1 1 9 3853 1 1 9 ASP OD1 O -2.062 -2.684 9.617 1.00 . A A . 8 ASP OD1 1 1 9 3854 1 1 9 ASP OD2 O -1.384 -1.062 10.936 1.00 . A A . 8 ASP OD2 1 1 9 3855 1 1 10 CYS C C 4.759 -2.903 8.259 1.00 . A A . 9 CYS C 1 1 9 3856 1 1 10 CYS CA C 4.027 -2.149 7.152 1.00 . A A . 9 CYS CA 1 1 9 3857 1 1 10 CYS CB C 4.846 -0.931 6.723 1.00 . A A . 9 CYS CB 1 1 9 3858 1 1 10 CYS H H 2.573 -0.826 7.939 1.00 . A A . 9 CYS H 1 1 9 3859 1 1 10 CYS HA H 3.905 -2.807 6.305 1.00 . A A . 9 CYS HA 1 1 9 3860 1 1 10 CYS HB2 H 4.208 -0.251 6.177 1.00 . A A . 9 CYS HB2 1 1 9 3861 1 1 10 CYS HB3 H 5.224 -0.432 7.603 1.00 . A A . 9 CYS HB3 1 1 9 3862 1 1 10 CYS N N 2.701 -1.736 7.595 1.00 . A A . 9 CYS N 1 1 9 3863 1 1 10 CYS O O 4.314 -2.928 9.407 1.00 . A A . 9 CYS O 1 1 9 3864 1 1 10 CYS SG S 6.269 -1.330 5.656 1.00 . A A . 9 CYS SG 1 1 9 3865 1 1 11 ASP C C 8.141 -3.842 8.818 1.00 . A A . 10 ASP C 1 1 9 3866 1 1 11 ASP CA C 6.678 -4.270 8.868 1.00 . A A . 10 ASP CA 1 1 9 3867 1 1 11 ASP CB C 6.562 -5.770 8.593 1.00 . A A . 10 ASP CB 1 1 9 3868 1 1 11 ASP CG C 7.067 -6.611 9.749 1.00 . A A . 10 ASP CG 1 1 9 3869 1 1 11 ASP H H 6.186 -3.460 6.975 1.00 . A A . 10 ASP H 1 1 9 3870 1 1 11 ASP HA H 6.289 -4.063 9.854 1.00 . A A . 10 ASP HA 1 1 9 3871 1 1 11 ASP HB2 H 5.526 -6.019 8.418 1.00 . A A . 10 ASP HB2 1 1 9 3872 1 1 11 ASP HB3 H 7.140 -6.015 7.714 1.00 . A A . 10 ASP HB3 1 1 9 3873 1 1 11 ASP N N 5.883 -3.516 7.906 1.00 . A A . 10 ASP N 1 1 9 3874 1 1 11 ASP O O 8.969 -4.328 9.590 1.00 . A A . 10 ASP O 1 1 9 3875 1 1 11 ASP OD1 O 6.401 -6.630 10.805 1.00 . A A . 10 ASP OD1 1 1 9 3876 1 1 11 ASP OD2 O 8.128 -7.252 9.597 1.00 . A A . 10 ASP OD2 1 1 9 3877 1 1 12 THR C C 9.924 -0.974 8.159 1.00 . A A . 11 THR C 1 1 9 3878 1 1 12 THR CA C 9.818 -2.439 7.750 1.00 . A A . 11 THR CA 1 1 9 3879 1 1 12 THR CB C 10.311 -2.593 6.299 1.00 . A A . 11 THR CB 1 1 9 3880 1 1 12 THR CG2 C 10.705 -1.244 5.715 1.00 . A A . 11 THR CG2 1 1 9 3881 1 1 12 THR H H 7.751 -2.582 7.316 1.00 . A A . 11 THR H 1 1 9 3882 1 1 12 THR HA H 10.458 -3.028 8.390 1.00 . A A . 11 THR HA 1 1 9 3883 1 1 12 THR HB H 9.509 -3.005 5.704 1.00 . A A . 11 THR HB 1 1 9 3884 1 1 12 THR HG1 H 11.133 -4.362 6.013 1.00 . A A . 11 THR HG1 1 1 9 3885 1 1 12 THR HG21 H 11.524 -0.831 6.285 1.00 . A A . 11 THR HG21 1 1 9 3886 1 1 12 THR HG22 H 9.860 -0.572 5.760 1.00 . A A . 11 THR HG22 1 1 9 3887 1 1 12 THR HG23 H 11.009 -1.372 4.688 1.00 . A A . 11 THR HG23 1 1 9 3888 1 1 12 THR N N 8.455 -2.931 7.903 1.00 . A A . 11 THR N 1 1 9 3889 1 1 12 THR O O 10.906 -0.559 8.775 1.00 . A A . 11 THR O 1 1 9 3890 1 1 12 THR OG1 O 11.433 -3.483 6.254 1.00 . A A . 11 THR OG1 1 1 9 3891 1 1 13 CYS C C 7.687 1.560 9.029 1.00 . A A . 12 CYS C 1 1 9 3892 1 1 13 CYS CA C 8.883 1.226 8.141 1.00 . A A . 12 CYS CA 1 1 9 3893 1 1 13 CYS CB C 8.835 2.068 6.865 1.00 . A A . 12 CYS CB 1 1 9 3894 1 1 13 CYS H H 8.151 -0.582 7.320 1.00 . A A . 12 CYS H 1 1 9 3895 1 1 13 CYS HA H 9.789 1.456 8.680 1.00 . A A . 12 CYS HA 1 1 9 3896 1 1 13 CYS HB2 H 9.336 3.008 7.043 1.00 . A A . 12 CYS HB2 1 1 9 3897 1 1 13 CYS HB3 H 9.346 1.538 6.075 1.00 . A A . 12 CYS HB3 1 1 9 3898 1 1 13 CYS N N 8.906 -0.193 7.811 1.00 . A A . 12 CYS N 1 1 9 3899 1 1 13 CYS O O 7.514 2.702 9.453 1.00 . A A . 12 CYS O 1 1 9 3900 1 1 13 CYS SG S 7.149 2.441 6.283 1.00 . A A . 12 CYS SG 1 1 9 3901 1 1 14 LEU C C 4.802 1.859 9.600 1.00 . A A . 13 LEU C 1 1 9 3902 1 1 14 LEU CA C 5.683 0.738 10.141 1.00 . A A . 13 LEU CA 1 1 9 3903 1 1 14 LEU CB C 6.098 1.050 11.580 1.00 . A A . 13 LEU CB 1 1 9 3904 1 1 14 LEU CD1 C 8.007 1.150 13.200 1.00 . A A . 13 LEU CD1 1 1 9 3905 1 1 14 LEU CD2 C 7.034 -1.061 12.555 1.00 . A A . 13 LEU CD2 1 1 9 3906 1 1 14 LEU CG C 7.360 0.349 12.083 1.00 . A A . 13 LEU CG 1 1 9 3907 1 1 14 LEU H H 7.054 -0.334 8.938 1.00 . A A . 13 LEU H 1 1 9 3908 1 1 14 LEU HA H 5.121 -0.183 10.129 1.00 . A A . 13 LEU HA 1 1 9 3909 1 1 14 LEU HB2 H 6.260 2.115 11.654 1.00 . A A . 13 LEU HB2 1 1 9 3910 1 1 14 LEU HB3 H 5.280 0.767 12.228 1.00 . A A . 13 LEU HB3 1 1 9 3911 1 1 14 LEU HD11 H 7.245 1.676 13.755 1.00 . A A . 13 LEU HD11 1 1 9 3912 1 1 14 LEU HD12 H 8.701 1.862 12.778 1.00 . A A . 13 LEU HD12 1 1 9 3913 1 1 14 LEU HD13 H 8.538 0.481 13.863 1.00 . A A . 13 LEU HD13 1 1 9 3914 1 1 14 LEU HD21 H 6.107 -1.385 12.105 1.00 . A A . 13 LEU HD21 1 1 9 3915 1 1 14 LEU HD22 H 6.934 -1.066 13.630 1.00 . A A . 13 LEU HD22 1 1 9 3916 1 1 14 LEU HD23 H 7.829 -1.731 12.263 1.00 . A A . 13 LEU HD23 1 1 9 3917 1 1 14 LEU HG H 8.070 0.275 11.271 1.00 . A A . 13 LEU HG 1 1 9 3918 1 1 14 LEU N N 6.863 0.554 9.305 1.00 . A A . 13 LEU N 1 1 9 3919 1 1 14 LEU O O 4.993 3.029 9.931 1.00 . A A . 13 LEU O 1 1 9 3920 1 1 15 VAL C C 1.721 1.779 7.536 1.00 . A A . 14 VAL C 1 1 9 3921 1 1 15 VAL CA C 2.921 2.467 8.179 1.00 . A A . 14 VAL CA 1 1 9 3922 1 1 15 VAL CB C 3.629 3.335 7.122 1.00 . A A . 14 VAL CB 1 1 9 3923 1 1 15 VAL CG1 C 3.025 3.100 5.746 1.00 . A A . 14 VAL CG1 1 1 9 3924 1 1 15 VAL CG2 C 3.551 4.806 7.502 1.00 . A A . 14 VAL CG2 1 1 9 3925 1 1 15 VAL H H 3.732 0.546 8.538 1.00 . A A . 14 VAL H 1 1 9 3926 1 1 15 VAL HA H 2.571 3.114 8.971 1.00 . A A . 14 VAL HA 1 1 9 3927 1 1 15 VAL HB H 4.669 3.049 7.087 1.00 . A A . 14 VAL HB 1 1 9 3928 1 1 15 VAL HG11 H 2.003 3.451 5.737 1.00 . A A . 14 VAL HG11 1 1 9 3929 1 1 15 VAL HG12 H 3.597 3.637 5.004 1.00 . A A . 14 VAL HG12 1 1 9 3930 1 1 15 VAL HG13 H 3.043 2.044 5.521 1.00 . A A . 14 VAL HG13 1 1 9 3931 1 1 15 VAL HG21 H 2.553 5.173 7.317 1.00 . A A . 14 VAL HG21 1 1 9 3932 1 1 15 VAL HG22 H 3.788 4.921 8.550 1.00 . A A . 14 VAL HG22 1 1 9 3933 1 1 15 VAL HG23 H 4.257 5.369 6.911 1.00 . A A . 14 VAL HG23 1 1 9 3934 1 1 15 VAL N N 3.834 1.494 8.765 1.00 . A A . 14 VAL N 1 1 9 3935 1 1 15 VAL O O 1.861 0.733 6.902 1.00 . A A . 14 VAL O 1 1 9 3936 1 1 16 GLN C C -0.897 2.315 5.715 1.00 . A A . 15 GLN C 1 1 9 3937 1 1 16 GLN CA C -0.679 1.816 7.140 1.00 . A A . 15 GLN CA 1 1 9 3938 1 1 16 GLN CB C -1.881 2.183 8.012 1.00 . A A . 15 GLN CB 1 1 9 3939 1 1 16 GLN CD C -1.161 1.889 10.416 1.00 . A A . 15 GLN CD 1 1 9 3940 1 1 16 GLN CG C -1.995 1.344 9.274 1.00 . A A . 15 GLN CG 1 1 9 3941 1 1 16 GLN H H 0.498 3.204 8.220 1.00 . A A . 15 GLN H 1 1 9 3942 1 1 16 GLN HA H -0.575 0.742 7.119 1.00 . A A . 15 GLN HA 1 1 9 3943 1 1 16 GLN HB2 H -1.797 3.220 8.301 1.00 . A A . 15 GLN HB2 1 1 9 3944 1 1 16 GLN HB3 H -2.783 2.051 7.434 1.00 . A A . 15 GLN HB3 1 1 9 3945 1 1 16 GLN HE21 H -2.736 1.833 11.627 1.00 . A A . 15 GLN HE21 1 1 9 3946 1 1 16 GLN HE22 H -1.269 2.414 12.330 1.00 . A A . 15 GLN HE22 1 1 9 3947 1 1 16 GLN HG2 H -3.029 1.322 9.584 1.00 . A A . 15 GLN HG2 1 1 9 3948 1 1 16 GLN HG3 H -1.665 0.339 9.054 1.00 . A A . 15 GLN HG3 1 1 9 3949 1 1 16 GLN N N 0.545 2.373 7.705 1.00 . A A . 15 GLN N 1 1 9 3950 1 1 16 GLN NE2 N -1.784 2.064 11.575 1.00 . A A . 15 GLN NE2 1 1 9 3951 1 1 16 GLN O O -0.617 3.472 5.403 1.00 . A A . 15 GLN O 1 1 9 3952 1 1 16 GLN OE1 O 0.032 2.151 10.259 1.00 . A A . 15 GLN OE1 1 1 9 3953 1 1 17 ASN C C -2.960 1.163 2.976 1.00 . A A . 16 ASN C 1 1 9 3954 1 1 17 ASN CA C -1.655 1.787 3.463 1.00 . A A . 16 ASN CA 1 1 9 3955 1 1 17 ASN CB C -0.495 1.327 2.579 1.00 . A A . 16 ASN CB 1 1 9 3956 1 1 17 ASN CG C 0.829 1.324 3.317 1.00 . A A . 16 ASN CG 1 1 9 3957 1 1 17 ASN H H -1.603 0.527 5.164 1.00 . A A . 16 ASN H 1 1 9 3958 1 1 17 ASN HA H -1.739 2.861 3.403 1.00 . A A . 16 ASN HA 1 1 9 3959 1 1 17 ASN HB2 H -0.692 0.325 2.229 1.00 . A A . 16 ASN HB2 1 1 9 3960 1 1 17 ASN HB3 H -0.412 1.991 1.731 1.00 . A A . 16 ASN HB3 1 1 9 3961 1 1 17 ASN HD21 H 0.121 0.010 4.631 1.00 . A A . 16 ASN HD21 1 1 9 3962 1 1 17 ASN HD22 H 1.754 0.516 4.880 1.00 . A A . 16 ASN HD22 1 1 9 3963 1 1 17 ASN N N -1.399 1.436 4.856 1.00 . A A . 16 ASN N 1 1 9 3964 1 1 17 ASN ND2 N 0.909 0.537 4.383 1.00 . A A . 16 ASN ND2 1 1 9 3965 1 1 17 ASN O O -3.364 0.098 3.442 1.00 . A A . 16 ASN O 1 1 9 3966 1 1 17 ASN OD1 O 1.769 2.020 2.933 1.00 . A A . 16 ASN OD1 1 1 9 3967 1 1 18 LYS C C -4.673 0.010 0.774 1.00 . A A . 17 LYS C 1 1 9 3968 1 1 18 LYS CA C -4.872 1.348 1.480 1.00 . A A . 17 LYS CA 1 1 9 3969 1 1 18 LYS CB C -5.452 2.370 0.502 1.00 . A A . 17 LYS CB 1 1 9 3970 1 1 18 LYS CD C -5.627 3.112 -1.892 1.00 . A A . 17 LYS CD 1 1 9 3971 1 1 18 LYS CE C -5.348 4.603 -1.790 1.00 . A A . 17 LYS CE 1 1 9 3972 1 1 18 LYS CG C -4.817 2.323 -0.877 1.00 . A A . 17 LYS CG 1 1 9 3973 1 1 18 LYS H H -3.241 2.679 1.702 1.00 . A A . 17 LYS H 1 1 9 3974 1 1 18 LYS HA H -5.563 1.210 2.298 1.00 . A A . 17 LYS HA 1 1 9 3975 1 1 18 LYS HB2 H -6.511 2.187 0.395 1.00 . A A . 17 LYS HB2 1 1 9 3976 1 1 18 LYS HB3 H -5.306 3.362 0.908 1.00 . A A . 17 LYS HB3 1 1 9 3977 1 1 18 LYS HD2 H -5.369 2.776 -2.885 1.00 . A A . 17 LYS HD2 1 1 9 3978 1 1 18 LYS HD3 H -6.679 2.938 -1.713 1.00 . A A . 17 LYS HD3 1 1 9 3979 1 1 18 LYS HE2 H -5.925 5.009 -0.974 1.00 . A A . 17 LYS HE2 1 1 9 3980 1 1 18 LYS HE3 H -4.296 4.746 -1.592 1.00 . A A . 17 LYS HE3 1 1 9 3981 1 1 18 LYS HG2 H -3.824 2.743 -0.820 1.00 . A A . 17 LYS HG2 1 1 9 3982 1 1 18 LYS HG3 H -4.757 1.293 -1.200 1.00 . A A . 17 LYS HG3 1 1 9 3983 1 1 18 LYS HZ1 H -5.414 4.766 -3.871 1.00 . A A . 17 LYS HZ1 1 1 9 3984 1 1 18 LYS HZ2 H -5.235 6.247 -3.074 1.00 . A A . 17 LYS HZ2 1 1 9 3985 1 1 18 LYS HZ3 H -6.737 5.470 -3.087 1.00 . A A . 17 LYS HZ3 1 1 9 3986 1 1 18 LYS N N -3.614 1.835 2.034 1.00 . A A . 17 LYS N 1 1 9 3987 1 1 18 LYS NZ N -5.709 5.322 -3.043 1.00 . A A . 17 LYS NZ 1 1 9 3988 1 1 18 LYS O O -3.638 -0.247 0.160 1.00 . A A . 17 LYS O 1 1 9 3989 1 1 19 PRO C C -5.716 -2.113 -1.285 1.00 . A A . 18 PRO C 1 1 9 3990 1 1 19 PRO CA C -5.649 -2.188 0.237 1.00 . A A . 18 PRO CA 1 1 9 3991 1 1 19 PRO CB C -6.894 -2.881 0.795 1.00 . A A . 18 PRO CB 1 1 9 3992 1 1 19 PRO CD C -6.951 -0.624 1.580 1.00 . A A . 18 PRO CD 1 1 9 3993 1 1 19 PRO CG C -7.822 -1.768 1.143 1.00 . A A . 18 PRO CG 1 1 9 3994 1 1 19 PRO HA H -4.767 -2.740 0.531 1.00 . A A . 18 PRO HA 1 1 9 3995 1 1 19 PRO HB2 H -7.317 -3.529 0.040 1.00 . A A . 18 PRO HB2 1 1 9 3996 1 1 19 PRO HB3 H -6.629 -3.460 1.666 1.00 . A A . 18 PRO HB3 1 1 9 3997 1 1 19 PRO HD2 H -7.389 0.318 1.286 1.00 . A A . 18 PRO HD2 1 1 9 3998 1 1 19 PRO HD3 H -6.798 -0.653 2.649 1.00 . A A . 18 PRO HD3 1 1 9 3999 1 1 19 PRO HG2 H -8.401 -1.489 0.276 1.00 . A A . 18 PRO HG2 1 1 9 4000 1 1 19 PRO HG3 H -8.473 -2.072 1.949 1.00 . A A . 18 PRO HG3 1 1 9 4001 1 1 19 PRO N N -5.687 -0.863 0.863 1.00 . A A . 18 PRO N 1 1 9 4002 1 1 19 PRO O O -5.515 -3.113 -1.973 1.00 . A A . 18 PRO O 1 1 9 4003 1 1 20 GLU C C -4.728 -0.394 -3.837 1.00 . A A . 19 GLU C 1 1 9 4004 1 1 20 GLU CA C -6.096 -0.718 -3.242 1.00 . A A . 19 GLU CA 1 1 9 4005 1 1 20 GLU CB C -7.082 0.410 -3.556 1.00 . A A . 19 GLU CB 1 1 9 4006 1 1 20 GLU CD C -7.898 2.076 -5.270 1.00 . A A . 19 GLU CD 1 1 9 4007 1 1 20 GLU CG C -6.786 1.130 -4.860 1.00 . A A . 19 GLU CG 1 1 9 4008 1 1 20 GLU H H -6.150 -0.163 -1.199 1.00 . A A . 19 GLU H 1 1 9 4009 1 1 20 GLU HA H -6.459 -1.634 -3.683 1.00 . A A . 19 GLU HA 1 1 9 4010 1 1 20 GLU HB2 H -8.077 -0.005 -3.614 1.00 . A A . 19 GLU HB2 1 1 9 4011 1 1 20 GLU HB3 H -7.049 1.132 -2.754 1.00 . A A . 19 GLU HB3 1 1 9 4012 1 1 20 GLU HG2 H -5.875 1.698 -4.745 1.00 . A A . 19 GLU HG2 1 1 9 4013 1 1 20 GLU HG3 H -6.653 0.395 -5.641 1.00 . A A . 19 GLU HG3 1 1 9 4014 1 1 20 GLU N N -6.001 -0.922 -1.801 1.00 . A A . 19 GLU N 1 1 9 4015 1 1 20 GLU O O -4.573 -0.316 -5.055 1.00 . A A . 19 GLU O 1 1 9 4016 1 1 20 GLU OE1 O -8.840 1.625 -5.953 1.00 . A A . 19 GLU OE1 1 1 9 4017 1 1 20 GLU OE2 O -7.825 3.269 -4.905 1.00 . A A . 19 GLU OE2 1 1 9 4018 1 1 21 ALA C C -1.597 -1.163 -3.700 1.00 . A A . 20 ALA C 1 1 9 4019 1 1 21 ALA CA C -2.387 0.109 -3.406 1.00 . A A . 20 ALA CA 1 1 9 4020 1 1 21 ALA CB C -1.672 0.946 -2.355 1.00 . A A . 20 ALA CB 1 1 9 4021 1 1 21 ALA H H -3.928 -0.281 -2.008 1.00 . A A . 20 ALA H 1 1 9 4022 1 1 21 ALA HA H -2.457 0.694 -4.311 1.00 . A A . 20 ALA HA 1 1 9 4023 1 1 21 ALA HB1 H -0.659 1.135 -2.676 1.00 . A A . 20 ALA HB1 1 1 9 4024 1 1 21 ALA HB2 H -2.193 1.884 -2.228 1.00 . A A . 20 ALA HB2 1 1 9 4025 1 1 21 ALA HB3 H -1.660 0.410 -1.417 1.00 . A A . 20 ALA HB3 1 1 9 4026 1 1 21 ALA N N -3.741 -0.206 -2.968 1.00 . A A . 20 ALA N 1 1 9 4027 1 1 21 ALA O O -2.049 -2.268 -3.404 1.00 . A A . 20 ALA O 1 1 9 4028 1 1 22 ILE C C 1.687 -2.154 -3.743 1.00 . A A . 21 ILE C 1 1 9 4029 1 1 22 ILE CA C 0.438 -2.130 -4.617 1.00 . A A . 21 ILE CA 1 1 9 4030 1 1 22 ILE CB C 0.862 -2.100 -6.097 1.00 . A A . 21 ILE CB 1 1 9 4031 1 1 22 ILE CD1 C 2.560 -3.030 -7.750 1.00 . A A . 21 ILE CD1 1 1 9 4032 1 1 22 ILE CG1 C 2.140 -2.918 -6.301 1.00 . A A . 21 ILE CG1 1 1 9 4033 1 1 22 ILE CG2 C 1.065 -0.665 -6.561 1.00 . A A . 21 ILE CG2 1 1 9 4034 1 1 22 ILE H H -0.108 -0.089 -4.494 1.00 . A A . 21 ILE H 1 1 9 4035 1 1 22 ILE HA H -0.127 -3.034 -4.444 1.00 . A A . 21 ILE HA 1 1 9 4036 1 1 22 ILE HB H 0.068 -2.534 -6.685 1.00 . A A . 21 ILE HB 1 1 9 4037 1 1 22 ILE HD11 H 1.818 -2.559 -8.378 1.00 . A A . 21 ILE HD11 1 1 9 4038 1 1 22 ILE HD12 H 3.512 -2.542 -7.888 1.00 . A A . 21 ILE HD12 1 1 9 4039 1 1 22 ILE HD13 H 2.648 -4.073 -8.019 1.00 . A A . 21 ILE HD13 1 1 9 4040 1 1 22 ILE HG12 H 2.947 -2.454 -5.757 1.00 . A A . 21 ILE HG12 1 1 9 4041 1 1 22 ILE HG13 H 1.982 -3.917 -5.922 1.00 . A A . 21 ILE HG13 1 1 9 4042 1 1 22 ILE HG21 H 1.478 -0.081 -5.751 1.00 . A A . 21 ILE HG21 1 1 9 4043 1 1 22 ILE HG22 H 1.747 -0.651 -7.397 1.00 . A A . 21 ILE HG22 1 1 9 4044 1 1 22 ILE HG23 H 0.117 -0.246 -6.861 1.00 . A A . 21 ILE HG23 1 1 9 4045 1 1 22 ILE N N -0.414 -0.996 -4.283 1.00 . A A . 21 ILE N 1 1 9 4046 1 1 22 ILE O O 2.319 -3.198 -3.572 1.00 . A A . 21 ILE O 1 1 9 4047 1 1 23 LYS C C 2.972 0.131 -1.216 1.00 . A A . 22 LYS C 1 1 9 4048 1 1 23 LYS CA C 3.210 -0.886 -2.328 1.00 . A A . 22 LYS CA 1 1 9 4049 1 1 23 LYS CB C 4.435 -0.481 -3.151 1.00 . A A . 22 LYS CB 1 1 9 4050 1 1 23 LYS CD C 5.331 0.921 -5.032 1.00 . A A . 22 LYS CD 1 1 9 4051 1 1 23 LYS CE C 4.963 1.930 -6.110 1.00 . A A . 22 LYS CE 1 1 9 4052 1 1 23 LYS CG C 4.199 0.729 -4.038 1.00 . A A . 22 LYS CG 1 1 9 4053 1 1 23 LYS H H 1.494 -0.201 -3.362 1.00 . A A . 22 LYS H 1 1 9 4054 1 1 23 LYS HA H 3.388 -1.853 -1.884 1.00 . A A . 22 LYS HA 1 1 9 4055 1 1 23 LYS HB2 H 5.247 -0.254 -2.477 1.00 . A A . 22 LYS HB2 1 1 9 4056 1 1 23 LYS HB3 H 4.721 -1.312 -3.780 1.00 . A A . 22 LYS HB3 1 1 9 4057 1 1 23 LYS HD2 H 6.205 1.276 -4.507 1.00 . A A . 22 LYS HD2 1 1 9 4058 1 1 23 LYS HD3 H 5.552 -0.029 -5.501 1.00 . A A . 22 LYS HD3 1 1 9 4059 1 1 23 LYS HE2 H 4.413 2.739 -5.653 1.00 . A A . 22 LYS HE2 1 1 9 4060 1 1 23 LYS HE3 H 5.870 2.314 -6.550 1.00 . A A . 22 LYS HE3 1 1 9 4061 1 1 23 LYS HG2 H 3.276 0.592 -4.581 1.00 . A A . 22 LYS HG2 1 1 9 4062 1 1 23 LYS HG3 H 4.125 1.611 -3.417 1.00 . A A . 22 LYS HG3 1 1 9 4063 1 1 23 LYS HZ1 H 3.839 2.045 -7.866 1.00 . A A . 22 LYS HZ1 1 1 9 4064 1 1 23 LYS HZ2 H 3.272 0.892 -6.766 1.00 . A A . 22 LYS HZ2 1 1 9 4065 1 1 23 LYS HZ3 H 4.663 0.580 -7.675 1.00 . A A . 22 LYS HZ3 1 1 9 4066 1 1 23 LYS N N 2.038 -0.999 -3.188 1.00 . A A . 22 LYS N 1 1 9 4067 1 1 23 LYS NZ N 4.125 1.319 -7.179 1.00 . A A . 22 LYS NZ 1 1 9 4068 1 1 23 LYS O O 1.921 0.770 -1.160 1.00 . A A . 22 LYS O 1 1 9 4069 1 1 24 CYS C C 3.900 2.655 0.277 1.00 . A A . 23 CYS C 1 1 9 4070 1 1 24 CYS CA C 3.854 1.214 0.777 1.00 . A A . 23 CYS CA 1 1 9 4071 1 1 24 CYS CB C 4.985 0.975 1.780 1.00 . A A . 23 CYS CB 1 1 9 4072 1 1 24 CYS H H 4.769 -0.264 -0.431 1.00 . A A . 23 CYS H 1 1 9 4073 1 1 24 CYS HA H 2.908 1.047 1.269 1.00 . A A . 23 CYS HA 1 1 9 4074 1 1 24 CYS HB2 H 5.229 -0.078 1.790 1.00 . A A . 23 CYS HB2 1 1 9 4075 1 1 24 CYS HB3 H 5.853 1.538 1.473 1.00 . A A . 23 CYS HB3 1 1 9 4076 1 1 24 CYS N N 3.955 0.275 -0.333 1.00 . A A . 23 CYS N 1 1 9 4077 1 1 24 CYS O O 4.425 2.933 -0.801 1.00 . A A . 23 CYS O 1 1 9 4078 1 1 24 CYS SG S 4.581 1.465 3.488 1.00 . A A . 23 CYS SG 1 1 9 4079 1 1 25 VAL C C 4.317 5.777 1.545 1.00 . A A . 24 VAL C 1 1 9 4080 1 1 25 VAL CA C 3.323 4.980 0.707 1.00 . A A . 24 VAL CA 1 1 9 4081 1 1 25 VAL CB C 1.918 5.584 0.886 1.00 . A A . 24 VAL CB 1 1 9 4082 1 1 25 VAL CG1 C 1.591 5.749 2.363 1.00 . A A . 24 VAL CG1 1 1 9 4083 1 1 25 VAL CG2 C 1.814 6.915 0.158 1.00 . A A . 24 VAL CG2 1 1 9 4084 1 1 25 VAL H H 2.942 3.285 1.915 1.00 . A A . 24 VAL H 1 1 9 4085 1 1 25 VAL HA H 3.598 5.063 -0.335 1.00 . A A . 24 VAL HA 1 1 9 4086 1 1 25 VAL HB H 1.199 4.904 0.454 1.00 . A A . 24 VAL HB 1 1 9 4087 1 1 25 VAL HG11 H 1.941 6.713 2.704 1.00 . A A . 24 VAL HG11 1 1 9 4088 1 1 25 VAL HG12 H 0.523 5.681 2.505 1.00 . A A . 24 VAL HG12 1 1 9 4089 1 1 25 VAL HG13 H 2.081 4.969 2.928 1.00 . A A . 24 VAL HG13 1 1 9 4090 1 1 25 VAL HG21 H 1.668 7.708 0.876 1.00 . A A . 24 VAL HG21 1 1 9 4091 1 1 25 VAL HG22 H 2.724 7.096 -0.397 1.00 . A A . 24 VAL HG22 1 1 9 4092 1 1 25 VAL HG23 H 0.977 6.888 -0.524 1.00 . A A . 24 VAL HG23 1 1 9 4093 1 1 25 VAL N N 3.345 3.568 1.068 1.00 . A A . 24 VAL N 1 1 9 4094 1 1 25 VAL O O 4.250 7.004 1.606 1.00 . A A . 24 VAL O 1 1 9 4095 1 1 26 ALA C C 7.647 5.197 2.685 1.00 . A A . 25 ALA C 1 1 9 4096 1 1 26 ALA CA C 6.251 5.712 3.021 1.00 . A A . 25 ALA CA 1 1 9 4097 1 1 26 ALA CB C 5.943 5.486 4.493 1.00 . A A . 25 ALA CB 1 1 9 4098 1 1 26 ALA H H 5.243 4.095 2.100 1.00 . A A . 25 ALA H 1 1 9 4099 1 1 26 ALA HA H 6.215 6.774 2.830 1.00 . A A . 25 ALA HA 1 1 9 4100 1 1 26 ALA HB1 H 6.306 4.512 4.791 1.00 . A A . 25 ALA HB1 1 1 9 4101 1 1 26 ALA HB2 H 6.429 6.248 5.084 1.00 . A A . 25 ALA HB2 1 1 9 4102 1 1 26 ALA HB3 H 4.876 5.535 4.648 1.00 . A A . 25 ALA HB3 1 1 9 4103 1 1 26 ALA N N 5.241 5.071 2.188 1.00 . A A . 25 ALA N 1 1 9 4104 1 1 26 ALA O O 8.598 5.972 2.583 1.00 . A A . 25 ALA O 1 1 9 4105 1 1 27 CYS C C 9.021 2.674 0.785 1.00 . A A . 26 CYS C 1 1 9 4106 1 1 27 CYS CA C 9.042 3.263 2.193 1.00 . A A . 26 CYS CA 1 1 9 4107 1 1 27 CYS CB C 9.374 2.170 3.211 1.00 . A A . 26 CYS CB 1 1 9 4108 1 1 27 CYS H H 6.967 3.316 2.610 1.00 . A A . 26 CYS H 1 1 9 4109 1 1 27 CYS HA H 9.802 4.028 2.238 1.00 . A A . 26 CYS HA 1 1 9 4110 1 1 27 CYS HB2 H 10.415 1.900 3.110 1.00 . A A . 26 CYS HB2 1 1 9 4111 1 1 27 CYS HB3 H 9.201 2.552 4.205 1.00 . A A . 26 CYS HB3 1 1 9 4112 1 1 27 CYS N N 7.762 3.884 2.515 1.00 . A A . 26 CYS N 1 1 9 4113 1 1 27 CYS O O 10.065 2.343 0.226 1.00 . A A . 26 CYS O 1 1 9 4114 1 1 27 CYS SG S 8.388 0.651 3.018 1.00 . A A . 26 CYS SG 1 1 9 4115 1 1 28 GLU C C 7.963 0.502 -1.135 1.00 . A A . 27 GLU C 1 1 9 4116 1 1 28 GLU CA C 7.668 1.999 -1.122 1.00 . A A . 27 GLU CA 1 1 9 4117 1 1 28 GLU CB C 8.594 2.721 -2.104 1.00 . A A . 27 GLU CB 1 1 9 4118 1 1 28 GLU CD C 10.003 4.809 -2.303 1.00 . A A . 27 GLU CD 1 1 9 4119 1 1 28 GLU CG C 8.671 4.222 -1.877 1.00 . A A . 27 GLU CG 1 1 9 4120 1 1 28 GLU H H 7.029 2.831 0.716 1.00 . A A . 27 GLU H 1 1 9 4121 1 1 28 GLU HA H 6.645 2.155 -1.427 1.00 . A A . 27 GLU HA 1 1 9 4122 1 1 28 GLU HB2 H 9.589 2.312 -2.009 1.00 . A A . 27 GLU HB2 1 1 9 4123 1 1 28 GLU HB3 H 8.238 2.547 -3.108 1.00 . A A . 27 GLU HB3 1 1 9 4124 1 1 28 GLU HG2 H 7.887 4.699 -2.444 1.00 . A A . 27 GLU HG2 1 1 9 4125 1 1 28 GLU HG3 H 8.525 4.422 -0.826 1.00 . A A . 27 GLU HG3 1 1 9 4126 1 1 28 GLU N N 7.825 2.548 0.219 1.00 . A A . 27 GLU N 1 1 9 4127 1 1 28 GLU O O 8.690 0.007 -1.997 1.00 . A A . 27 GLU O 1 1 9 4128 1 1 28 GLU OE1 O 11.049 4.283 -1.868 1.00 . A A . 27 GLU OE1 1 1 9 4129 1 1 28 GLU OE2 O 9.998 5.792 -3.073 1.00 . A A . 27 GLU OE2 1 1 9 4130 1 1 29 THR C C 6.556 -2.416 -0.880 1.00 . A A . 28 THR C 1 1 9 4131 1 1 29 THR CA C 7.598 -1.655 -0.068 1.00 . A A . 28 THR CA 1 1 9 4132 1 1 29 THR CB C 7.536 -2.129 1.397 1.00 . A A . 28 THR CB 1 1 9 4133 1 1 29 THR CG2 C 6.717 -3.405 1.519 1.00 . A A . 28 THR CG2 1 1 9 4134 1 1 29 THR H H 6.826 0.236 0.488 1.00 . A A . 28 THR H 1 1 9 4135 1 1 29 THR HA H 8.580 -1.882 -0.456 1.00 . A A . 28 THR HA 1 1 9 4136 1 1 29 THR HB H 7.063 -1.358 1.988 1.00 . A A . 28 THR HB 1 1 9 4137 1 1 29 THR HG1 H 9.030 -3.298 1.934 1.00 . A A . 28 THR HG1 1 1 9 4138 1 1 29 THR HG21 H 7.002 -4.091 0.734 1.00 . A A . 28 THR HG21 1 1 9 4139 1 1 29 THR HG22 H 5.668 -3.170 1.430 1.00 . A A . 28 THR HG22 1 1 9 4140 1 1 29 THR HG23 H 6.904 -3.861 2.479 1.00 . A A . 28 THR HG23 1 1 9 4141 1 1 29 THR N N 7.395 -0.215 -0.170 1.00 . A A . 28 THR N 1 1 9 4142 1 1 29 THR O O 5.397 -2.013 -0.981 1.00 . A A . 28 THR O 1 1 9 4143 1 1 29 THR OG1 O 8.859 -2.354 1.895 1.00 . A A . 28 THR OG1 1 1 9 4144 1 1 30 PRO C C 5.042 -5.103 -1.449 1.00 . A A . 29 PRO C 1 1 9 4145 1 1 30 PRO CA C 6.094 -4.385 -2.288 1.00 . A A . 29 PRO CA 1 1 9 4146 1 1 30 PRO CB C 7.052 -5.395 -2.921 1.00 . A A . 29 PRO CB 1 1 9 4147 1 1 30 PRO CD C 8.343 -4.083 -1.397 1.00 . A A . 29 PRO CD 1 1 9 4148 1 1 30 PRO CG C 8.208 -5.461 -1.983 1.00 . A A . 29 PRO CG 1 1 9 4149 1 1 30 PRO HA H 5.605 -3.814 -3.064 1.00 . A A . 29 PRO HA 1 1 9 4150 1 1 30 PRO HB2 H 6.561 -6.354 -3.012 1.00 . A A . 29 PRO HB2 1 1 9 4151 1 1 30 PRO HB3 H 7.356 -5.047 -3.897 1.00 . A A . 29 PRO HB3 1 1 9 4152 1 1 30 PRO HD2 H 8.678 -4.140 -0.372 1.00 . A A . 29 PRO HD2 1 1 9 4153 1 1 30 PRO HD3 H 9.026 -3.487 -1.986 1.00 . A A . 29 PRO HD3 1 1 9 4154 1 1 30 PRO HG2 H 8.009 -6.181 -1.205 1.00 . A A . 29 PRO HG2 1 1 9 4155 1 1 30 PRO HG3 H 9.105 -5.727 -2.523 1.00 . A A . 29 PRO HG3 1 1 9 4156 1 1 30 PRO N N 6.975 -3.543 -1.474 1.00 . A A . 29 PRO N 1 1 9 4157 1 1 30 PRO O O 5.368 -5.945 -0.612 1.00 . A A . 29 PRO O 1 1 9 4158 1 1 31 LYS C C 2.679 -6.893 -1.124 1.00 . A A . 30 LYS C 1 1 9 4159 1 1 31 LYS CA C 2.675 -5.378 -0.945 1.00 . A A . 30 LYS CA 1 1 9 4160 1 1 31 LYS CB C 1.339 -4.801 -1.417 1.00 . A A . 30 LYS CB 1 1 9 4161 1 1 31 LYS CD C -1.041 -5.492 -1.826 1.00 . A A . 30 LYS CD 1 1 9 4162 1 1 31 LYS CE C -2.026 -4.391 -1.462 1.00 . A A . 30 LYS CE 1 1 9 4163 1 1 31 LYS CG C 0.130 -5.532 -0.859 1.00 . A A . 30 LYS CG 1 1 9 4164 1 1 31 LYS H H 3.579 -4.086 -2.358 1.00 . A A . 30 LYS H 1 1 9 4165 1 1 31 LYS HA H 2.807 -5.151 0.102 1.00 . A A . 30 LYS HA 1 1 9 4166 1 1 31 LYS HB2 H 1.280 -3.766 -1.113 1.00 . A A . 30 LYS HB2 1 1 9 4167 1 1 31 LYS HB3 H 1.298 -4.853 -2.495 1.00 . A A . 30 LYS HB3 1 1 9 4168 1 1 31 LYS HD2 H -0.668 -5.311 -2.823 1.00 . A A . 30 LYS HD2 1 1 9 4169 1 1 31 LYS HD3 H -1.553 -6.443 -1.797 1.00 . A A . 30 LYS HD3 1 1 9 4170 1 1 31 LYS HE2 H -2.341 -4.530 -0.440 1.00 . A A . 30 LYS HE2 1 1 9 4171 1 1 31 LYS HE3 H -1.529 -3.437 -1.558 1.00 . A A . 30 LYS HE3 1 1 9 4172 1 1 31 LYS HG2 H 0.397 -6.562 -0.676 1.00 . A A . 30 LYS HG2 1 1 9 4173 1 1 31 LYS HG3 H -0.165 -5.064 0.071 1.00 . A A . 30 LYS HG3 1 1 9 4174 1 1 31 LYS HZ1 H -3.538 -3.431 -2.538 1.00 . A A . 30 LYS HZ1 1 1 9 4175 1 1 31 LYS HZ2 H -4.000 -4.923 -1.887 1.00 . A A . 30 LYS HZ2 1 1 9 4176 1 1 31 LYS HZ3 H -2.998 -4.868 -3.248 1.00 . A A . 30 LYS HZ3 1 1 9 4177 1 1 31 LYS N N 3.777 -4.765 -1.678 1.00 . A A . 30 LYS N 1 1 9 4178 1 1 31 LYS NZ N -3.224 -4.404 -2.346 1.00 . A A . 30 LYS NZ 1 1 9 4179 1 1 31 LYS O O 2.987 -7.414 -2.197 1.00 . A A . 30 LYS O 1 1 9 4180 1 1 32 PRO C C 1.139 -9.616 -0.924 1.00 . A A . 31 PRO C 1 1 9 4181 1 1 32 PRO CA C 2.281 -9.082 -0.067 1.00 . A A . 31 PRO CA 1 1 9 4182 1 1 32 PRO CB C 2.062 -9.445 1.404 1.00 . A A . 31 PRO CB 1 1 9 4183 1 1 32 PRO CD C 1.950 -7.062 1.258 1.00 . A A . 31 PRO CD 1 1 9 4184 1 1 32 PRO CG C 1.396 -8.251 1.993 1.00 . A A . 31 PRO CG 1 1 9 4185 1 1 32 PRO HA H 3.215 -9.506 -0.409 1.00 . A A . 31 PRO HA 1 1 9 4186 1 1 32 PRO HB2 H 1.434 -10.323 1.470 1.00 . A A . 31 PRO HB2 1 1 9 4187 1 1 32 PRO HB3 H 3.013 -9.640 1.876 1.00 . A A . 31 PRO HB3 1 1 9 4188 1 1 32 PRO HD2 H 1.194 -6.298 1.150 1.00 . A A . 31 PRO HD2 1 1 9 4189 1 1 32 PRO HD3 H 2.814 -6.668 1.774 1.00 . A A . 31 PRO HD3 1 1 9 4190 1 1 32 PRO HG2 H 0.328 -8.317 1.848 1.00 . A A . 31 PRO HG2 1 1 9 4191 1 1 32 PRO HG3 H 1.629 -8.183 3.045 1.00 . A A . 31 PRO HG3 1 1 9 4192 1 1 32 PRO N N 2.328 -7.617 -0.052 1.00 . A A . 31 PRO N 1 1 9 4193 1 1 32 PRO O O 1.080 -9.302 -2.111 1.00 . A A . 31 PRO O 1 1 9 4194 2 2 1 ZN ZN ZN 6.598 0.804 4.609 1.00 . B A . 32 ZN ZN 1 1 10 4195 1 1 2 HIS C C -15.107 -8.065 -3.528 1.00 . A A . 1 HIS C 1 1 10 4196 1 1 2 HIS CA C -15.052 -8.535 -4.979 1.00 . A A . 1 HIS CA 1 1 10 4197 1 1 2 HIS CB C -13.993 -7.740 -5.744 1.00 . A A . 1 HIS CB 1 1 10 4198 1 1 2 HIS CD2 C -13.278 -5.593 -4.476 1.00 . A A . 1 HIS CD2 1 1 10 4199 1 1 2 HIS CE1 C -14.535 -4.153 -5.548 1.00 . A A . 1 HIS CE1 1 1 10 4200 1 1 2 HIS CG C -13.980 -6.281 -5.407 1.00 . A A . 1 HIS CG 1 1 10 4201 1 1 2 HIS H H -16.696 -7.496 -5.815 1.00 . A A . 1 HIS H 1 1 10 4202 1 1 2 HIS HA H -14.786 -9.581 -4.996 1.00 . A A . 1 HIS HA 1 1 10 4203 1 1 2 HIS HB2 H -13.016 -8.141 -5.516 1.00 . A A . 1 HIS HB2 1 1 10 4204 1 1 2 HIS HB3 H -14.178 -7.835 -6.804 1.00 . A A . 1 HIS HB3 1 1 10 4205 1 1 2 HIS HD1 H -15.383 -5.539 -6.792 1.00 . A A . 1 HIS HD1 1 1 10 4206 1 1 2 HIS HD2 H -12.562 -6.006 -3.778 1.00 . A A . 1 HIS HD2 1 1 10 4207 1 1 2 HIS HE1 H -15.004 -3.233 -5.863 1.00 . A A . 1 HIS HE1 1 1 10 4208 1 1 2 HIS N N -16.354 -8.393 -5.621 1.00 . A A . 1 HIS N 1 1 10 4209 1 1 2 HIS ND1 N -14.760 -5.350 -6.061 1.00 . A A . 1 HIS ND1 1 1 10 4210 1 1 2 HIS NE2 N -13.640 -4.274 -4.585 1.00 . A A . 1 HIS NE2 1 1 10 4211 1 1 2 HIS O O -16.161 -7.664 -3.036 1.00 . A A . 1 HIS O 1 1 10 4212 1 1 3 MET C C -12.455 -7.333 -1.079 1.00 . A A . 2 MET C 1 1 10 4213 1 1 3 MET CA C -13.886 -7.702 -1.454 1.00 . A A . 2 MET CA 1 1 10 4214 1 1 3 MET CB C -14.397 -8.812 -0.535 1.00 . A A . 2 MET CB 1 1 10 4215 1 1 3 MET CE C -14.084 -12.605 -1.205 1.00 . A A . 2 MET CE 1 1 10 4216 1 1 3 MET CG C -13.464 -10.011 -0.454 1.00 . A A . 2 MET CG 1 1 10 4217 1 1 3 MET H H -13.159 -8.451 -3.296 1.00 . A A . 2 MET H 1 1 10 4218 1 1 3 MET HA H -14.513 -6.831 -1.335 1.00 . A A . 2 MET HA 1 1 10 4219 1 1 3 MET HB2 H -14.520 -8.412 0.460 1.00 . A A . 2 MET HB2 1 1 10 4220 1 1 3 MET HB3 H -15.354 -9.153 -0.899 1.00 . A A . 2 MET HB3 1 1 10 4221 1 1 3 MET HE1 H -14.798 -13.078 -1.863 1.00 . A A . 2 MET HE1 1 1 10 4222 1 1 3 MET HE2 H -13.232 -13.254 -1.072 1.00 . A A . 2 MET HE2 1 1 10 4223 1 1 3 MET HE3 H -14.547 -12.417 -0.246 1.00 . A A . 2 MET HE3 1 1 10 4224 1 1 3 MET HG2 H -12.452 -9.655 -0.340 1.00 . A A . 2 MET HG2 1 1 10 4225 1 1 3 MET HG3 H -13.735 -10.602 0.407 1.00 . A A . 2 MET HG3 1 1 10 4226 1 1 3 MET N N -13.967 -8.121 -2.849 1.00 . A A . 2 MET N 1 1 10 4227 1 1 3 MET O O -11.504 -7.725 -1.757 1.00 . A A . 2 MET O 1 1 10 4228 1 1 3 MET SD S -13.547 -11.055 -1.922 1.00 . A A . 2 MET SD 1 1 10 4229 1 1 4 VAL C C -10.739 -6.621 1.898 1.00 . A A . 3 VAL C 1 1 10 4230 1 1 4 VAL CA C -10.992 -6.155 0.469 1.00 . A A . 3 VAL CA 1 1 10 4231 1 1 4 VAL CB C -10.837 -4.624 0.404 1.00 . A A . 3 VAL CB 1 1 10 4232 1 1 4 VAL CG1 C -10.947 -4.136 -1.032 1.00 . A A . 3 VAL CG1 1 1 10 4233 1 1 4 VAL CG2 C -11.872 -3.946 1.288 1.00 . A A . 3 VAL CG2 1 1 10 4234 1 1 4 VAL H H -13.102 -6.295 0.502 1.00 . A A . 3 VAL H 1 1 10 4235 1 1 4 VAL HA H -10.249 -6.599 -0.180 1.00 . A A . 3 VAL HA 1 1 10 4236 1 1 4 VAL HB H -9.854 -4.366 0.774 1.00 . A A . 3 VAL HB 1 1 10 4237 1 1 4 VAL HG11 H -9.996 -4.262 -1.529 1.00 . A A . 3 VAL HG11 1 1 10 4238 1 1 4 VAL HG12 H -11.704 -4.708 -1.550 1.00 . A A . 3 VAL HG12 1 1 10 4239 1 1 4 VAL HG13 H -11.219 -3.090 -1.037 1.00 . A A . 3 VAL HG13 1 1 10 4240 1 1 4 VAL HG21 H -11.598 -2.912 1.433 1.00 . A A . 3 VAL HG21 1 1 10 4241 1 1 4 VAL HG22 H -12.841 -3.999 0.813 1.00 . A A . 3 VAL HG22 1 1 10 4242 1 1 4 VAL HG23 H -11.913 -4.447 2.244 1.00 . A A . 3 VAL HG23 1 1 10 4243 1 1 4 VAL N N -12.307 -6.577 0.004 1.00 . A A . 3 VAL N 1 1 10 4244 1 1 4 VAL O O -11.676 -6.916 2.640 1.00 . A A . 3 VAL O 1 1 10 4245 1 1 5 ILE C C -8.894 -5.913 4.545 1.00 . A A . 4 ILE C 1 1 10 4246 1 1 5 ILE CA C -9.092 -7.111 3.621 1.00 . A A . 4 ILE CA 1 1 10 4247 1 1 5 ILE CB C -7.801 -7.950 3.603 1.00 . A A . 4 ILE CB 1 1 10 4248 1 1 5 ILE CD1 C -5.431 -7.932 2.677 1.00 . A A . 4 ILE CD1 1 1 10 4249 1 1 5 ILE CG1 C -6.855 -7.447 2.512 1.00 . A A . 4 ILE CG1 1 1 10 4250 1 1 5 ILE CG2 C -8.129 -9.420 3.392 1.00 . A A . 4 ILE CG2 1 1 10 4251 1 1 5 ILE H H -8.765 -6.434 1.643 1.00 . A A . 4 ILE H 1 1 10 4252 1 1 5 ILE HA H -9.892 -7.724 4.010 1.00 . A A . 4 ILE HA 1 1 10 4253 1 1 5 ILE HB H -7.319 -7.849 4.563 1.00 . A A . 4 ILE HB 1 1 10 4254 1 1 5 ILE HD11 H -5.229 -8.710 1.956 1.00 . A A . 4 ILE HD11 1 1 10 4255 1 1 5 ILE HD12 H -4.750 -7.109 2.521 1.00 . A A . 4 ILE HD12 1 1 10 4256 1 1 5 ILE HD13 H -5.298 -8.324 3.675 1.00 . A A . 4 ILE HD13 1 1 10 4257 1 1 5 ILE HG12 H -7.210 -7.787 1.552 1.00 . A A . 4 ILE HG12 1 1 10 4258 1 1 5 ILE HG13 H -6.842 -6.368 2.526 1.00 . A A . 4 ILE HG13 1 1 10 4259 1 1 5 ILE HG21 H -8.137 -9.640 2.334 1.00 . A A . 4 ILE HG21 1 1 10 4260 1 1 5 ILE HG22 H -7.381 -10.029 3.879 1.00 . A A . 4 ILE HG22 1 1 10 4261 1 1 5 ILE HG23 H -9.100 -9.638 3.811 1.00 . A A . 4 ILE HG23 1 1 10 4262 1 1 5 ILE N N -9.467 -6.683 2.279 1.00 . A A . 4 ILE N 1 1 10 4263 1 1 5 ILE O O -8.894 -6.052 5.767 1.00 . A A . 4 ILE O 1 1 10 4264 1 1 6 GLY C C -7.100 -3.034 4.689 1.00 . A A . 5 GLY C 1 1 10 4265 1 1 6 GLY CA C -8.532 -3.531 4.734 1.00 . A A . 5 GLY CA 1 1 10 4266 1 1 6 GLY H H -8.735 -4.685 2.972 1.00 . A A . 5 GLY H 1 1 10 4267 1 1 6 GLY HA2 H -9.182 -2.757 4.353 1.00 . A A . 5 GLY HA2 1 1 10 4268 1 1 6 GLY HA3 H -8.796 -3.736 5.762 1.00 . A A . 5 GLY HA3 1 1 10 4269 1 1 6 GLY N N -8.727 -4.736 3.950 1.00 . A A . 5 GLY N 1 1 10 4270 1 1 6 GLY O O -6.185 -3.785 4.345 1.00 . A A . 5 GLY O 1 1 10 4271 1 1 7 THR C C -4.557 -2.086 5.703 1.00 . A A . 6 THR C 1 1 10 4272 1 1 7 THR CA C -5.573 -1.170 5.030 1.00 . A A . 6 THR CA 1 1 10 4273 1 1 7 THR CB C -5.566 0.196 5.742 1.00 . A A . 6 THR CB 1 1 10 4274 1 1 7 THR CG2 C -6.336 1.230 4.935 1.00 . A A . 6 THR CG2 1 1 10 4275 1 1 7 THR H H -7.672 -1.219 5.301 1.00 . A A . 6 THR H 1 1 10 4276 1 1 7 THR HA H -5.280 -1.017 4.001 1.00 . A A . 6 THR HA 1 1 10 4277 1 1 7 THR HB H -4.543 0.528 5.843 1.00 . A A . 6 THR HB 1 1 10 4278 1 1 7 THR HG1 H -5.452 0.093 7.708 1.00 . A A . 6 THR HG1 1 1 10 4279 1 1 7 THR HG21 H -5.644 1.935 4.499 1.00 . A A . 6 THR HG21 1 1 10 4280 1 1 7 THR HG22 H -7.023 1.754 5.584 1.00 . A A . 6 THR HG22 1 1 10 4281 1 1 7 THR HG23 H -6.889 0.736 4.150 1.00 . A A . 6 THR HG23 1 1 10 4282 1 1 7 THR N N -6.903 -1.766 5.035 1.00 . A A . 6 THR N 1 1 10 4283 1 1 7 THR O O -4.815 -2.634 6.774 1.00 . A A . 6 THR O 1 1 10 4284 1 1 7 THR OG1 O -6.147 0.072 7.045 1.00 . A A . 6 THR OG1 1 1 10 4285 1 1 8 TRP C C -1.240 -2.257 6.237 1.00 . A A . 7 TRP C 1 1 10 4286 1 1 8 TRP CA C -2.346 -3.096 5.608 1.00 . A A . 7 TRP CA 1 1 10 4287 1 1 8 TRP CB C -1.765 -3.984 4.506 1.00 . A A . 7 TRP CB 1 1 10 4288 1 1 8 TRP CD1 C -2.504 -2.833 2.339 1.00 . A A . 7 TRP CD1 1 1 10 4289 1 1 8 TRP CD2 C -0.286 -2.877 2.648 1.00 . A A . 7 TRP CD2 1 1 10 4290 1 1 8 TRP CE2 C -0.558 -2.222 1.431 1.00 . A A . 7 TRP CE2 1 1 10 4291 1 1 8 TRP CE3 C 1.044 -3.023 3.052 1.00 . A A . 7 TRP CE3 1 1 10 4292 1 1 8 TRP CG C -1.545 -3.259 3.212 1.00 . A A . 7 TRP CG 1 1 10 4293 1 1 8 TRP CH2 C 1.745 -1.874 1.037 1.00 . A A . 7 TRP CH2 1 1 10 4294 1 1 8 TRP CZ2 C 0.452 -1.717 0.616 1.00 . A A . 7 TRP CZ2 1 1 10 4295 1 1 8 TRP CZ3 C 2.045 -2.521 2.242 1.00 . A A . 7 TRP CZ3 1 1 10 4296 1 1 8 TRP H H -3.254 -1.782 4.218 1.00 . A A . 7 TRP H 1 1 10 4297 1 1 8 TRP HA H -2.783 -3.723 6.370 1.00 . A A . 7 TRP HA 1 1 10 4298 1 1 8 TRP HB2 H -0.814 -4.378 4.833 1.00 . A A . 7 TRP HB2 1 1 10 4299 1 1 8 TRP HB3 H -2.445 -4.803 4.319 1.00 . A A . 7 TRP HB3 1 1 10 4300 1 1 8 TRP HD1 H -3.564 -2.973 2.484 1.00 . A A . 7 TRP HD1 1 1 10 4301 1 1 8 TRP HE1 H -2.395 -1.817 0.504 1.00 . A A . 7 TRP HE1 1 1 10 4302 1 1 8 TRP HE3 H 1.294 -3.519 3.978 1.00 . A A . 7 TRP HE3 1 1 10 4303 1 1 8 TRP HH2 H 2.559 -1.497 0.436 1.00 . A A . 7 TRP HH2 1 1 10 4304 1 1 8 TRP HZ2 H 0.238 -1.215 -0.316 1.00 . A A . 7 TRP HZ2 1 1 10 4305 1 1 8 TRP HZ3 H 3.078 -2.625 2.538 1.00 . A A . 7 TRP HZ3 1 1 10 4306 1 1 8 TRP N N -3.402 -2.246 5.069 1.00 . A A . 7 TRP N 1 1 10 4307 1 1 8 TRP NE1 N -1.917 -2.209 1.264 1.00 . A A . 7 TRP NE1 1 1 10 4308 1 1 8 TRP O O -0.855 -1.217 5.701 1.00 . A A . 7 TRP O 1 1 10 4309 1 1 9 ASP C C 1.696 -2.608 7.751 1.00 . A A . 8 ASP C 1 1 10 4310 1 1 9 ASP CA C 0.334 -2.006 8.078 1.00 . A A . 8 ASP CA 1 1 10 4311 1 1 9 ASP CB C 0.092 -2.046 9.588 1.00 . A A . 8 ASP CB 1 1 10 4312 1 1 9 ASP CG C -1.302 -1.587 9.965 1.00 . A A . 8 ASP CG 1 1 10 4313 1 1 9 ASP H H -1.078 -3.549 7.754 1.00 . A A . 8 ASP H 1 1 10 4314 1 1 9 ASP HA H 0.320 -0.978 7.749 1.00 . A A . 8 ASP HA 1 1 10 4315 1 1 9 ASP HB2 H 0.225 -3.059 9.940 1.00 . A A . 8 ASP HB2 1 1 10 4316 1 1 9 ASP HB3 H 0.809 -1.403 10.077 1.00 . A A . 8 ASP HB3 1 1 10 4317 1 1 9 ASP N N -0.731 -2.715 7.376 1.00 . A A . 8 ASP N 1 1 10 4318 1 1 9 ASP O O 1.865 -3.828 7.761 1.00 . A A . 8 ASP O 1 1 10 4319 1 1 9 ASP OD1 O -2.173 -1.542 9.071 1.00 . A A . 8 ASP OD1 1 1 10 4320 1 1 9 ASP OD2 O -1.523 -1.272 11.153 1.00 . A A . 8 ASP OD2 1 1 10 4321 1 1 10 CYS C C 4.624 -2.980 8.282 1.00 . A A . 9 CYS C 1 1 10 4322 1 1 10 CYS CA C 4.012 -2.193 7.127 1.00 . A A . 9 CYS CA 1 1 10 4323 1 1 10 CYS CB C 4.898 -0.994 6.785 1.00 . A A . 9 CYS CB 1 1 10 4324 1 1 10 CYS H H 2.467 -0.785 7.467 1.00 . A A . 9 CYS H 1 1 10 4325 1 1 10 CYS HA H 3.944 -2.838 6.264 1.00 . A A . 9 CYS HA 1 1 10 4326 1 1 10 CYS HB2 H 4.295 -0.233 6.310 1.00 . A A . 9 CYS HB2 1 1 10 4327 1 1 10 CYS HB3 H 5.319 -0.596 7.696 1.00 . A A . 9 CYS HB3 1 1 10 4328 1 1 10 CYS N N 2.664 -1.746 7.459 1.00 . A A . 9 CYS N 1 1 10 4329 1 1 10 CYS O O 4.046 -3.063 9.366 1.00 . A A . 9 CYS O 1 1 10 4330 1 1 10 CYS SG S 6.277 -1.386 5.661 1.00 . A A . 9 CYS SG 1 1 10 4331 1 1 11 ASP C C 7.963 -3.946 9.135 1.00 . A A . 10 ASP C 1 1 10 4332 1 1 11 ASP CA C 6.489 -4.335 9.062 1.00 . A A . 10 ASP CA 1 1 10 4333 1 1 11 ASP CB C 6.356 -5.829 8.769 1.00 . A A . 10 ASP CB 1 1 10 4334 1 1 11 ASP CG C 7.224 -6.271 7.605 1.00 . A A . 10 ASP CG 1 1 10 4335 1 1 11 ASP H H 6.208 -3.453 7.158 1.00 . A A . 10 ASP H 1 1 10 4336 1 1 11 ASP HA H 6.026 -4.121 10.013 1.00 . A A . 10 ASP HA 1 1 10 4337 1 1 11 ASP HB2 H 6.652 -6.389 9.644 1.00 . A A . 10 ASP HB2 1 1 10 4338 1 1 11 ASP HB3 H 5.327 -6.054 8.533 1.00 . A A . 10 ASP HB3 1 1 10 4339 1 1 11 ASP N N 5.797 -3.555 8.042 1.00 . A A . 10 ASP N 1 1 10 4340 1 1 11 ASP O O 8.749 -4.581 9.838 1.00 . A A . 10 ASP O 1 1 10 4341 1 1 11 ASP OD1 O 7.130 -5.649 6.527 1.00 . A A . 10 ASP OD1 1 1 10 4342 1 1 11 ASP OD2 O 7.995 -7.237 7.774 1.00 . A A . 10 ASP OD2 1 1 10 4343 1 1 12 THR C C 9.787 -0.943 8.718 1.00 . A A . 11 THR C 1 1 10 4344 1 1 12 THR CA C 9.709 -2.428 8.383 1.00 . A A . 11 THR CA 1 1 10 4345 1 1 12 THR CB C 10.366 -2.668 7.011 1.00 . A A . 11 THR CB 1 1 10 4346 1 1 12 THR CG2 C 11.596 -1.791 6.838 1.00 . A A . 11 THR CG2 1 1 10 4347 1 1 12 THR H H 7.658 -2.435 7.864 1.00 . A A . 11 THR H 1 1 10 4348 1 1 12 THR HA H 10.263 -2.984 9.126 1.00 . A A . 11 THR HA 1 1 10 4349 1 1 12 THR HB H 9.652 -2.417 6.239 1.00 . A A . 11 THR HB 1 1 10 4350 1 1 12 THR HG1 H 11.364 -4.277 7.565 1.00 . A A . 11 THR HG1 1 1 10 4351 1 1 12 THR HG21 H 11.297 -0.817 6.479 1.00 . A A . 11 THR HG21 1 1 10 4352 1 1 12 THR HG22 H 12.266 -2.248 6.125 1.00 . A A . 11 THR HG22 1 1 10 4353 1 1 12 THR HG23 H 12.099 -1.686 7.789 1.00 . A A . 11 THR HG23 1 1 10 4354 1 1 12 THR N N 8.330 -2.900 8.404 1.00 . A A . 11 THR N 1 1 10 4355 1 1 12 THR O O 10.491 -0.541 9.646 1.00 . A A . 11 THR O 1 1 10 4356 1 1 12 THR OG1 O 10.733 -4.046 6.878 1.00 . A A . 11 THR OG1 1 1 10 4357 1 1 13 CYS C C 7.916 1.710 9.117 1.00 . A A . 12 CYS C 1 1 10 4358 1 1 13 CYS CA C 9.047 1.311 8.174 1.00 . A A . 12 CYS CA 1 1 10 4359 1 1 13 CYS CB C 8.897 2.046 6.840 1.00 . A A . 12 CYS CB 1 1 10 4360 1 1 13 CYS H H 8.520 -0.510 7.234 1.00 . A A . 12 CYS H 1 1 10 4361 1 1 13 CYS HA H 9.988 1.589 8.623 1.00 . A A . 12 CYS HA 1 1 10 4362 1 1 13 CYS HB2 H 9.401 2.999 6.905 1.00 . A A . 12 CYS HB2 1 1 10 4363 1 1 13 CYS HB3 H 9.353 1.455 6.059 1.00 . A A . 12 CYS HB3 1 1 10 4364 1 1 13 CYS N N 9.061 -0.130 7.959 1.00 . A A . 12 CYS N 1 1 10 4365 1 1 13 CYS O O 7.925 2.799 9.691 1.00 . A A . 12 CYS O 1 1 10 4366 1 1 13 CYS SG S 7.170 2.366 6.358 1.00 . A A . 12 CYS SG 1 1 10 4367 1 1 14 LEU C C 4.894 2.151 9.554 1.00 . A A . 13 LEU C 1 1 10 4368 1 1 14 LEU CA C 5.802 1.077 10.146 1.00 . A A . 13 LEU CA 1 1 10 4369 1 1 14 LEU CB C 6.285 1.507 11.533 1.00 . A A . 13 LEU CB 1 1 10 4370 1 1 14 LEU CD1 C 7.905 1.323 13.436 1.00 . A A . 13 LEU CD1 1 1 10 4371 1 1 14 LEU CD2 C 7.415 -0.677 12.017 1.00 . A A . 13 LEU CD2 1 1 10 4372 1 1 14 LEU CG C 7.563 0.837 12.036 1.00 . A A . 13 LEU CG 1 1 10 4373 1 1 14 LEU H H 6.989 -0.031 8.789 1.00 . A A . 13 LEU H 1 1 10 4374 1 1 14 LEU HA H 5.241 0.159 10.237 1.00 . A A . 13 LEU HA 1 1 10 4375 1 1 14 LEU HB2 H 6.457 2.571 11.507 1.00 . A A . 13 LEU HB2 1 1 10 4376 1 1 14 LEU HB3 H 5.495 1.289 12.238 1.00 . A A . 13 LEU HB3 1 1 10 4377 1 1 14 LEU HD11 H 6.999 1.420 14.014 1.00 . A A . 13 LEU HD11 1 1 10 4378 1 1 14 LEU HD12 H 8.396 2.283 13.373 1.00 . A A . 13 LEU HD12 1 1 10 4379 1 1 14 LEU HD13 H 8.563 0.612 13.913 1.00 . A A . 13 LEU HD13 1 1 10 4380 1 1 14 LEU HD21 H 8.373 -1.130 11.812 1.00 . A A . 13 LEU HD21 1 1 10 4381 1 1 14 LEU HD22 H 6.711 -0.960 11.247 1.00 . A A . 13 LEU HD22 1 1 10 4382 1 1 14 LEU HD23 H 7.054 -1.016 12.977 1.00 . A A . 13 LEU HD23 1 1 10 4383 1 1 14 LEU HG H 8.383 1.101 11.382 1.00 . A A . 13 LEU HG 1 1 10 4384 1 1 14 LEU N N 6.942 0.820 9.272 1.00 . A A . 13 LEU N 1 1 10 4385 1 1 14 LEU O O 4.879 3.291 10.020 1.00 . A A . 13 LEU O 1 1 10 4386 1 1 15 VAL C C 2.019 1.980 7.293 1.00 . A A . 14 VAL C 1 1 10 4387 1 1 15 VAL CA C 3.224 2.709 7.874 1.00 . A A . 14 VAL CA 1 1 10 4388 1 1 15 VAL CB C 3.928 3.490 6.748 1.00 . A A . 14 VAL CB 1 1 10 4389 1 1 15 VAL CG1 C 2.922 4.314 5.960 1.00 . A A . 14 VAL CG1 1 1 10 4390 1 1 15 VAL CG2 C 5.025 4.376 7.320 1.00 . A A . 14 VAL CG2 1 1 10 4391 1 1 15 VAL H H 4.195 0.857 8.201 1.00 . A A . 14 VAL H 1 1 10 4392 1 1 15 VAL HA H 2.883 3.417 8.615 1.00 . A A . 14 VAL HA 1 1 10 4393 1 1 15 VAL HB H 4.385 2.779 6.075 1.00 . A A . 14 VAL HB 1 1 10 4394 1 1 15 VAL HG11 H 2.582 3.746 5.107 1.00 . A A . 14 VAL HG11 1 1 10 4395 1 1 15 VAL HG12 H 2.081 4.557 6.592 1.00 . A A . 14 VAL HG12 1 1 10 4396 1 1 15 VAL HG13 H 3.392 5.225 5.619 1.00 . A A . 14 VAL HG13 1 1 10 4397 1 1 15 VAL HG21 H 5.646 4.742 6.517 1.00 . A A . 14 VAL HG21 1 1 10 4398 1 1 15 VAL HG22 H 4.578 5.213 7.839 1.00 . A A . 14 VAL HG22 1 1 10 4399 1 1 15 VAL HG23 H 5.626 3.805 8.011 1.00 . A A . 14 VAL HG23 1 1 10 4400 1 1 15 VAL N N 4.138 1.779 8.527 1.00 . A A . 14 VAL N 1 1 10 4401 1 1 15 VAL O O 2.165 0.973 6.600 1.00 . A A . 14 VAL O 1 1 10 4402 1 1 16 GLN C C -0.695 2.336 5.658 1.00 . A A . 15 GLN C 1 1 10 4403 1 1 16 GLN CA C -0.404 1.891 7.087 1.00 . A A . 15 GLN CA 1 1 10 4404 1 1 16 GLN CB C -1.578 2.258 7.998 1.00 . A A . 15 GLN CB 1 1 10 4405 1 1 16 GLN CD C -2.735 1.805 10.198 1.00 . A A . 15 GLN CD 1 1 10 4406 1 1 16 GLN CG C -1.440 1.724 9.415 1.00 . A A . 15 GLN CG 1 1 10 4407 1 1 16 GLN H H 0.776 3.298 8.139 1.00 . A A . 15 GLN H 1 1 10 4408 1 1 16 GLN HA H -0.276 0.818 7.098 1.00 . A A . 15 GLN HA 1 1 10 4409 1 1 16 GLN HB2 H -1.656 3.334 8.048 1.00 . A A . 15 GLN HB2 1 1 10 4410 1 1 16 GLN HB3 H -2.486 1.858 7.573 1.00 . A A . 15 GLN HB3 1 1 10 4411 1 1 16 GLN HE21 H -3.549 0.405 9.043 1.00 . A A . 15 GLN HE21 1 1 10 4412 1 1 16 GLN HE22 H -4.563 1.031 10.295 1.00 . A A . 15 GLN HE22 1 1 10 4413 1 1 16 GLN HG2 H -1.130 0.691 9.368 1.00 . A A . 15 GLN HG2 1 1 10 4414 1 1 16 GLN HG3 H -0.686 2.302 9.931 1.00 . A A . 15 GLN HG3 1 1 10 4415 1 1 16 GLN N N 0.827 2.494 7.582 1.00 . A A . 15 GLN N 1 1 10 4416 1 1 16 GLN NE2 N -3.715 1.000 9.805 1.00 . A A . 15 GLN NE2 1 1 10 4417 1 1 16 GLN O O -0.345 3.447 5.262 1.00 . A A . 15 GLN O 1 1 10 4418 1 1 16 GLN OE1 O -2.854 2.582 11.145 1.00 . A A . 15 GLN OE1 1 1 10 4419 1 1 17 ASN C C -2.987 1.102 3.105 1.00 . A A . 16 ASN C 1 1 10 4420 1 1 17 ASN CA C -1.673 1.767 3.504 1.00 . A A . 16 ASN CA 1 1 10 4421 1 1 17 ASN CB C -0.551 1.304 2.572 1.00 . A A . 16 ASN CB 1 1 10 4422 1 1 17 ASN CG C 0.810 1.348 3.239 1.00 . A A . 16 ASN CG 1 1 10 4423 1 1 17 ASN H H -1.589 0.592 5.263 1.00 . A A . 16 ASN H 1 1 10 4424 1 1 17 ASN HA H -1.782 2.837 3.417 1.00 . A A . 16 ASN HA 1 1 10 4425 1 1 17 ASN HB2 H -0.746 0.287 2.261 1.00 . A A . 16 ASN HB2 1 1 10 4426 1 1 17 ASN HB3 H -0.527 1.942 1.702 1.00 . A A . 16 ASN HB3 1 1 10 4427 1 1 17 ASN HD21 H 0.299 -0.155 4.437 1.00 . A A . 16 ASN HD21 1 1 10 4428 1 1 17 ASN HD22 H 1.894 0.473 4.657 1.00 . A A . 16 ASN HD22 1 1 10 4429 1 1 17 ASN N N -1.336 1.463 4.891 1.00 . A A . 16 ASN N 1 1 10 4430 1 1 17 ASN ND2 N 1.023 0.466 4.208 1.00 . A A . 16 ASN ND2 1 1 10 4431 1 1 17 ASN O O -3.428 0.142 3.738 1.00 . A A . 16 ASN O 1 1 10 4432 1 1 17 ASN OD1 O 1.661 2.165 2.885 1.00 . A A . 16 ASN OD1 1 1 10 4433 1 1 18 LYS C C -4.646 -0.213 0.785 1.00 . A A . 17 LYS C 1 1 10 4434 1 1 18 LYS CA C -4.873 1.078 1.566 1.00 . A A . 17 LYS CA 1 1 10 4435 1 1 18 LYS CB C -5.585 2.103 0.681 1.00 . A A . 17 LYS CB 1 1 10 4436 1 1 18 LYS CD C -5.826 3.125 -1.602 1.00 . A A . 17 LYS CD 1 1 10 4437 1 1 18 LYS CE C -5.081 3.508 -2.871 1.00 . A A . 17 LYS CE 1 1 10 4438 1 1 18 LYS CG C -4.982 2.232 -0.707 1.00 . A A . 17 LYS CG 1 1 10 4439 1 1 18 LYS H H -3.209 2.386 1.588 1.00 . A A . 17 LYS H 1 1 10 4440 1 1 18 LYS HA H -5.493 0.861 2.422 1.00 . A A . 17 LYS HA 1 1 10 4441 1 1 18 LYS HB2 H -6.620 1.812 0.576 1.00 . A A . 17 LYS HB2 1 1 10 4442 1 1 18 LYS HB3 H -5.539 3.070 1.162 1.00 . A A . 17 LYS HB3 1 1 10 4443 1 1 18 LYS HD2 H -6.729 2.597 -1.873 1.00 . A A . 17 LYS HD2 1 1 10 4444 1 1 18 LYS HD3 H -6.082 4.025 -1.059 1.00 . A A . 17 LYS HD3 1 1 10 4445 1 1 18 LYS HE2 H -4.483 4.382 -2.671 1.00 . A A . 17 LYS HE2 1 1 10 4446 1 1 18 LYS HE3 H -4.438 2.687 -3.155 1.00 . A A . 17 LYS HE3 1 1 10 4447 1 1 18 LYS HG2 H -3.994 2.658 -0.623 1.00 . A A . 17 LYS HG2 1 1 10 4448 1 1 18 LYS HG3 H -4.916 1.250 -1.153 1.00 . A A . 17 LYS HG3 1 1 10 4449 1 1 18 LYS HZ1 H -6.894 3.262 -3.878 1.00 . A A . 17 LYS HZ1 1 1 10 4450 1 1 18 LYS HZ2 H -5.576 3.543 -4.899 1.00 . A A . 17 LYS HZ2 1 1 10 4451 1 1 18 LYS HZ3 H -6.242 4.818 -4.011 1.00 . A A . 17 LYS HZ3 1 1 10 4452 1 1 18 LYS N N -3.610 1.620 2.051 1.00 . A A . 17 LYS N 1 1 10 4453 1 1 18 LYS NZ N -6.013 3.804 -3.993 1.00 . A A . 17 LYS NZ 1 1 10 4454 1 1 18 LYS O O -3.610 -0.409 0.150 1.00 . A A . 17 LYS O 1 1 10 4455 1 1 19 PRO C C -5.652 -2.243 -1.384 1.00 . A A . 18 PRO C 1 1 10 4456 1 1 19 PRO CA C -5.570 -2.402 0.130 1.00 . A A . 18 PRO CA 1 1 10 4457 1 1 19 PRO CB C -6.794 -3.155 0.655 1.00 . A A . 18 PRO CB 1 1 10 4458 1 1 19 PRO CD C -6.902 -0.948 1.567 1.00 . A A . 18 PRO CD 1 1 10 4459 1 1 19 PRO CG C -7.747 -2.088 1.071 1.00 . A A . 18 PRO CG 1 1 10 4460 1 1 19 PRO HA H -4.673 -2.945 0.386 1.00 . A A . 18 PRO HA 1 1 10 4461 1 1 19 PRO HB2 H -7.206 -3.770 -0.132 1.00 . A A . 18 PRO HB2 1 1 10 4462 1 1 19 PRO HB3 H -6.509 -3.775 1.491 1.00 . A A . 18 PRO HB3 1 1 10 4463 1 1 19 PRO HD2 H -7.366 -0.002 1.328 1.00 . A A . 18 PRO HD2 1 1 10 4464 1 1 19 PRO HD3 H -6.741 -1.034 2.632 1.00 . A A . 18 PRO HD3 1 1 10 4465 1 1 19 PRO HG2 H -8.340 -1.775 0.224 1.00 . A A . 18 PRO HG2 1 1 10 4466 1 1 19 PRO HG3 H -8.385 -2.453 1.862 1.00 . A A . 18 PRO HG3 1 1 10 4467 1 1 19 PRO N N -5.638 -1.115 0.830 1.00 . A A . 18 PRO N 1 1 10 4468 1 1 19 PRO O O -5.430 -3.197 -2.130 1.00 . A A . 18 PRO O 1 1 10 4469 1 1 20 GLU C C -4.726 -0.363 -3.843 1.00 . A A . 19 GLU C 1 1 10 4470 1 1 20 GLU CA C -6.080 -0.750 -3.259 1.00 . A A . 19 GLU CA 1 1 10 4471 1 1 20 GLU CB C -7.093 0.371 -3.502 1.00 . A A . 19 GLU CB 1 1 10 4472 1 1 20 GLU CD C -9.371 1.289 -2.914 1.00 . A A . 19 GLU CD 1 1 10 4473 1 1 20 GLU CG C -8.215 0.411 -2.478 1.00 . A A . 19 GLU CG 1 1 10 4474 1 1 20 GLU H H -6.135 -0.313 -1.188 1.00 . A A . 19 GLU H 1 1 10 4475 1 1 20 GLU HA H -6.427 -1.649 -3.747 1.00 . A A . 19 GLU HA 1 1 10 4476 1 1 20 GLU HB2 H -6.575 1.318 -3.478 1.00 . A A . 19 GLU HB2 1 1 10 4477 1 1 20 GLU HB3 H -7.532 0.236 -4.480 1.00 . A A . 19 GLU HB3 1 1 10 4478 1 1 20 GLU HG2 H -8.583 -0.593 -2.325 1.00 . A A . 19 GLU HG2 1 1 10 4479 1 1 20 GLU HG3 H -7.822 0.795 -1.548 1.00 . A A . 19 GLU HG3 1 1 10 4480 1 1 20 GLU N N -5.970 -1.033 -1.832 1.00 . A A . 19 GLU N 1 1 10 4481 1 1 20 GLU O O -4.581 -0.214 -5.055 1.00 . A A . 19 GLU O 1 1 10 4482 1 1 20 GLU OE1 O -9.399 1.688 -4.098 1.00 . A A . 19 GLU OE1 1 1 10 4483 1 1 20 GLU OE2 O -10.249 1.576 -2.074 1.00 . A A . 19 GLU OE2 1 1 10 4484 1 1 21 ALA C C -1.577 -1.067 -3.772 1.00 . A A . 20 ALA C 1 1 10 4485 1 1 21 ALA CA C -2.392 0.167 -3.399 1.00 . A A . 20 ALA CA 1 1 10 4486 1 1 21 ALA CB C -1.688 0.957 -2.306 1.00 . A A . 20 ALA CB 1 1 10 4487 1 1 21 ALA H H -3.913 -0.334 -2.017 1.00 . A A . 20 ALA H 1 1 10 4488 1 1 21 ALA HA H -2.482 0.803 -4.269 1.00 . A A . 20 ALA HA 1 1 10 4489 1 1 21 ALA HB1 H -1.577 0.336 -1.429 1.00 . A A . 20 ALA HB1 1 1 10 4490 1 1 21 ALA HB2 H -0.713 1.264 -2.656 1.00 . A A . 20 ALA HB2 1 1 10 4491 1 1 21 ALA HB3 H -2.273 1.829 -2.059 1.00 . A A . 20 ALA HB3 1 1 10 4492 1 1 21 ALA N N -3.736 -0.201 -2.970 1.00 . A A . 20 ALA N 1 1 10 4493 1 1 21 ALA O O -2.006 -2.198 -3.542 1.00 . A A . 20 ALA O 1 1 10 4494 1 1 22 ILE C C 1.721 -1.994 -3.877 1.00 . A A . 21 ILE C 1 1 10 4495 1 1 22 ILE CA C 0.473 -1.936 -4.752 1.00 . A A . 21 ILE CA 1 1 10 4496 1 1 22 ILE CB C 0.900 -1.800 -6.226 1.00 . A A . 21 ILE CB 1 1 10 4497 1 1 22 ILE CD1 C 1.945 -0.085 -7.788 1.00 . A A . 21 ILE CD1 1 1 10 4498 1 1 22 ILE CG1 C 1.898 -0.652 -6.387 1.00 . A A . 21 ILE CG1 1 1 10 4499 1 1 22 ILE CG2 C -0.318 -1.580 -7.112 1.00 . A A . 21 ILE CG2 1 1 10 4500 1 1 22 ILE H H -0.115 0.082 -4.504 1.00 . A A . 21 ILE H 1 1 10 4501 1 1 22 ILE HA H -0.076 -2.859 -4.640 1.00 . A A . 21 ILE HA 1 1 10 4502 1 1 22 ILE HB H 1.372 -2.723 -6.526 1.00 . A A . 21 ILE HB 1 1 10 4503 1 1 22 ILE HD11 H 0.955 0.231 -8.083 1.00 . A A . 21 ILE HD11 1 1 10 4504 1 1 22 ILE HD12 H 2.616 0.760 -7.813 1.00 . A A . 21 ILE HD12 1 1 10 4505 1 1 22 ILE HD13 H 2.298 -0.845 -8.472 1.00 . A A . 21 ILE HD13 1 1 10 4506 1 1 22 ILE HG12 H 1.629 0.147 -5.715 1.00 . A A . 21 ILE HG12 1 1 10 4507 1 1 22 ILE HG13 H 2.888 -1.007 -6.139 1.00 . A A . 21 ILE HG13 1 1 10 4508 1 1 22 ILE HG21 H -0.639 -0.552 -7.032 1.00 . A A . 21 ILE HG21 1 1 10 4509 1 1 22 ILE HG22 H -0.059 -1.797 -8.137 1.00 . A A . 21 ILE HG22 1 1 10 4510 1 1 22 ILE HG23 H -1.116 -2.233 -6.795 1.00 . A A . 21 ILE HG23 1 1 10 4511 1 1 22 ILE N N -0.401 -0.841 -4.348 1.00 . A A . 21 ILE N 1 1 10 4512 1 1 22 ILE O O 2.441 -2.993 -3.869 1.00 . A A . 21 ILE O 1 1 10 4513 1 1 23 LYS C C 2.919 0.202 -1.167 1.00 . A A . 22 LYS C 1 1 10 4514 1 1 23 LYS CA C 3.127 -0.847 -2.255 1.00 . A A . 22 LYS CA 1 1 10 4515 1 1 23 LYS CB C 4.388 -0.521 -3.058 1.00 . A A . 22 LYS CB 1 1 10 4516 1 1 23 LYS CD C 5.414 0.761 -4.960 1.00 . A A . 22 LYS CD 1 1 10 4517 1 1 23 LYS CE C 5.550 -0.382 -5.954 1.00 . A A . 22 LYS CE 1 1 10 4518 1 1 23 LYS CG C 4.189 0.588 -4.077 1.00 . A A . 22 LYS CG 1 1 10 4519 1 1 23 LYS H H 1.357 -0.154 -3.186 1.00 . A A . 22 LYS H 1 1 10 4520 1 1 23 LYS HA H 3.248 -1.812 -1.787 1.00 . A A . 22 LYS HA 1 1 10 4521 1 1 23 LYS HB2 H 5.167 -0.218 -2.375 1.00 . A A . 22 LYS HB2 1 1 10 4522 1 1 23 LYS HB3 H 4.706 -1.410 -3.583 1.00 . A A . 22 LYS HB3 1 1 10 4523 1 1 23 LYS HD2 H 5.326 1.689 -5.505 1.00 . A A . 22 LYS HD2 1 1 10 4524 1 1 23 LYS HD3 H 6.295 0.790 -4.335 1.00 . A A . 22 LYS HD3 1 1 10 4525 1 1 23 LYS HE2 H 6.596 -0.623 -6.065 1.00 . A A . 22 LYS HE2 1 1 10 4526 1 1 23 LYS HE3 H 5.021 -1.241 -5.570 1.00 . A A . 22 LYS HE3 1 1 10 4527 1 1 23 LYS HG2 H 3.342 0.345 -4.701 1.00 . A A . 22 LYS HG2 1 1 10 4528 1 1 23 LYS HG3 H 4.000 1.515 -3.555 1.00 . A A . 22 LYS HG3 1 1 10 4529 1 1 23 LYS HZ1 H 5.759 0.087 -7.979 1.00 . A A . 22 LYS HZ1 1 1 10 4530 1 1 23 LYS HZ2 H 4.461 0.867 -7.226 1.00 . A A . 22 LYS HZ2 1 1 10 4531 1 1 23 LYS HZ3 H 4.349 -0.775 -7.618 1.00 . A A . 22 LYS HZ3 1 1 10 4532 1 1 23 LYS N N 1.969 -0.919 -3.138 1.00 . A A . 22 LYS N 1 1 10 4533 1 1 23 LYS NZ N 4.990 -0.025 -7.288 1.00 . A A . 22 LYS NZ 1 1 10 4534 1 1 23 LYS O O 1.949 0.961 -1.200 1.00 . A A . 22 LYS O 1 1 10 4535 1 1 24 CYS C C 3.734 2.630 0.363 1.00 . A A . 23 CYS C 1 1 10 4536 1 1 24 CYS CA C 3.753 1.198 0.891 1.00 . A A . 23 CYS CA 1 1 10 4537 1 1 24 CYS CB C 4.932 1.012 1.847 1.00 . A A . 23 CYS CB 1 1 10 4538 1 1 24 CYS H H 4.586 -0.389 -0.235 1.00 . A A . 23 CYS H 1 1 10 4539 1 1 24 CYS HA H 2.834 1.013 1.425 1.00 . A A . 23 CYS HA 1 1 10 4540 1 1 24 CYS HB2 H 5.237 -0.024 1.833 1.00 . A A . 23 CYS HB2 1 1 10 4541 1 1 24 CYS HB3 H 5.755 1.628 1.518 1.00 . A A . 23 CYS HB3 1 1 10 4542 1 1 24 CYS N N 3.835 0.242 -0.206 1.00 . A A . 23 CYS N 1 1 10 4543 1 1 24 CYS O O 4.122 2.889 -0.776 1.00 . A A . 23 CYS O 1 1 10 4544 1 1 24 CYS SG S 4.564 1.454 3.577 1.00 . A A . 23 CYS SG 1 1 10 4545 1 1 25 VAL C C 4.236 5.791 1.587 1.00 . A A . 24 VAL C 1 1 10 4546 1 1 25 VAL CA C 3.211 4.963 0.820 1.00 . A A . 24 VAL CA 1 1 10 4547 1 1 25 VAL CB C 1.807 5.545 1.071 1.00 . A A . 24 VAL CB 1 1 10 4548 1 1 25 VAL CG1 C 1.591 5.799 2.554 1.00 . A A . 24 VAL CG1 1 1 10 4549 1 1 25 VAL CG2 C 1.609 6.822 0.268 1.00 . A A . 24 VAL CG2 1 1 10 4550 1 1 25 VAL H H 2.984 3.289 2.096 1.00 . A A . 24 VAL H 1 1 10 4551 1 1 25 VAL HA H 3.425 5.034 -0.236 1.00 . A A . 24 VAL HA 1 1 10 4552 1 1 25 VAL HB H 1.075 4.821 0.742 1.00 . A A . 24 VAL HB 1 1 10 4553 1 1 25 VAL HG11 H 1.613 6.862 2.745 1.00 . A A . 24 VAL HG11 1 1 10 4554 1 1 25 VAL HG12 H 0.633 5.398 2.853 1.00 . A A . 24 VAL HG12 1 1 10 4555 1 1 25 VAL HG13 H 2.374 5.316 3.120 1.00 . A A . 24 VAL HG13 1 1 10 4556 1 1 25 VAL HG21 H 0.555 6.967 0.078 1.00 . A A . 24 VAL HG21 1 1 10 4557 1 1 25 VAL HG22 H 1.992 7.663 0.828 1.00 . A A . 24 VAL HG22 1 1 10 4558 1 1 25 VAL HG23 H 2.137 6.743 -0.671 1.00 . A A . 24 VAL HG23 1 1 10 4559 1 1 25 VAL N N 3.280 3.557 1.201 1.00 . A A . 24 VAL N 1 1 10 4560 1 1 25 VAL O O 4.092 7.005 1.724 1.00 . A A . 24 VAL O 1 1 10 4561 1 1 26 ALA C C 7.696 5.227 2.497 1.00 . A A . 25 ALA C 1 1 10 4562 1 1 26 ALA CA C 6.324 5.799 2.838 1.00 . A A . 25 ALA CA 1 1 10 4563 1 1 26 ALA CB C 6.059 5.686 4.332 1.00 . A A . 25 ALA CB 1 1 10 4564 1 1 26 ALA H H 5.332 4.157 1.944 1.00 . A A . 25 ALA H 1 1 10 4565 1 1 26 ALA HA H 6.305 6.846 2.572 1.00 . A A . 25 ALA HA 1 1 10 4566 1 1 26 ALA HB1 H 5.863 6.668 4.738 1.00 . A A . 25 ALA HB1 1 1 10 4567 1 1 26 ALA HB2 H 5.204 5.050 4.499 1.00 . A A . 25 ALA HB2 1 1 10 4568 1 1 26 ALA HB3 H 6.924 5.262 4.819 1.00 . A A . 25 ALA HB3 1 1 10 4569 1 1 26 ALA N N 5.272 5.125 2.086 1.00 . A A . 25 ALA N 1 1 10 4570 1 1 26 ALA O O 8.652 5.971 2.276 1.00 . A A . 25 ALA O 1 1 10 4571 1 1 27 CYS C C 8.983 2.586 0.762 1.00 . A A . 26 CYS C 1 1 10 4572 1 1 27 CYS CA C 9.041 3.229 2.144 1.00 . A A . 26 CYS CA 1 1 10 4573 1 1 27 CYS CB C 9.352 2.168 3.201 1.00 . A A . 26 CYS CB 1 1 10 4574 1 1 27 CYS H H 6.988 3.362 2.643 1.00 . A A . 26 CYS H 1 1 10 4575 1 1 27 CYS HA H 9.825 3.971 2.150 1.00 . A A . 26 CYS HA 1 1 10 4576 1 1 27 CYS HB2 H 10.394 1.891 3.126 1.00 . A A . 26 CYS HB2 1 1 10 4577 1 1 27 CYS HB3 H 9.163 2.579 4.181 1.00 . A A . 26 CYS HB3 1 1 10 4578 1 1 27 CYS N N 7.786 3.903 2.458 1.00 . A A . 26 CYS N 1 1 10 4579 1 1 27 CYS O O 10.008 2.193 0.207 1.00 . A A . 26 CYS O 1 1 10 4580 1 1 27 CYS SG S 8.363 0.645 3.038 1.00 . A A . 26 CYS SG 1 1 10 4581 1 1 28 GLU C C 7.794 0.378 -1.054 1.00 . A A . 27 GLU C 1 1 10 4582 1 1 28 GLU CA C 7.586 1.889 -1.105 1.00 . A A . 27 GLU CA 1 1 10 4583 1 1 28 GLU CB C 8.551 2.513 -2.116 1.00 . A A . 27 GLU CB 1 1 10 4584 1 1 28 GLU CD C 9.217 4.709 -3.171 1.00 . A A . 27 GLU CD 1 1 10 4585 1 1 28 GLU CG C 8.773 4.002 -1.906 1.00 . A A . 27 GLU CG 1 1 10 4586 1 1 28 GLU H H 6.998 2.817 0.704 1.00 . A A . 27 GLU H 1 1 10 4587 1 1 28 GLU HA H 6.573 2.090 -1.417 1.00 . A A . 27 GLU HA 1 1 10 4588 1 1 28 GLU HB2 H 9.505 2.013 -2.042 1.00 . A A . 27 GLU HB2 1 1 10 4589 1 1 28 GLU HB3 H 8.154 2.367 -3.111 1.00 . A A . 27 GLU HB3 1 1 10 4590 1 1 28 GLU HG2 H 7.849 4.446 -1.569 1.00 . A A . 27 GLU HG2 1 1 10 4591 1 1 28 GLU HG3 H 9.532 4.136 -1.150 1.00 . A A . 27 GLU HG3 1 1 10 4592 1 1 28 GLU N N 7.778 2.484 0.212 1.00 . A A . 27 GLU N 1 1 10 4593 1 1 28 GLU O O 8.437 -0.202 -1.930 1.00 . A A . 27 GLU O 1 1 10 4594 1 1 28 GLU OE1 O 8.680 4.388 -4.251 1.00 . A A . 27 GLU OE1 1 1 10 4595 1 1 28 GLU OE2 O 10.102 5.586 -3.080 1.00 . A A . 27 GLU OE2 1 1 10 4596 1 1 29 THR C C 6.435 -2.443 -0.795 1.00 . A A . 28 THR C 1 1 10 4597 1 1 29 THR CA C 7.372 -1.697 0.146 1.00 . A A . 28 THR CA 1 1 10 4598 1 1 29 THR CB C 7.071 -2.122 1.595 1.00 . A A . 28 THR CB 1 1 10 4599 1 1 29 THR CG2 C 5.912 -3.106 1.641 1.00 . A A . 28 THR CG2 1 1 10 4600 1 1 29 THR H H 6.746 0.263 0.643 1.00 . A A . 28 THR H 1 1 10 4601 1 1 29 THR HA H 8.391 -1.972 -0.083 1.00 . A A . 28 THR HA 1 1 10 4602 1 1 29 THR HB H 6.802 -1.244 2.164 1.00 . A A . 28 THR HB 1 1 10 4603 1 1 29 THR HG1 H 8.934 -2.066 2.241 1.00 . A A . 28 THR HG1 1 1 10 4604 1 1 29 THR HG21 H 6.210 -4.037 1.183 1.00 . A A . 28 THR HG21 1 1 10 4605 1 1 29 THR HG22 H 5.069 -2.694 1.105 1.00 . A A . 28 THR HG22 1 1 10 4606 1 1 29 THR HG23 H 5.632 -3.285 2.668 1.00 . A A . 28 THR HG23 1 1 10 4607 1 1 29 THR N N 7.246 -0.254 -0.022 1.00 . A A . 28 THR N 1 1 10 4608 1 1 29 THR O O 5.325 -1.998 -1.089 1.00 . A A . 28 THR O 1 1 10 4609 1 1 29 THR OG1 O 8.233 -2.720 2.182 1.00 . A A . 28 THR OG1 1 1 10 4610 1 1 30 PRO C C 4.904 -5.085 -1.513 1.00 . A A . 29 PRO C 1 1 10 4611 1 1 30 PRO CA C 6.105 -4.443 -2.198 1.00 . A A . 29 PRO CA 1 1 10 4612 1 1 30 PRO CB C 7.103 -5.514 -2.644 1.00 . A A . 29 PRO CB 1 1 10 4613 1 1 30 PRO CD C 8.202 -4.200 -0.977 1.00 . A A . 29 PRO CD 1 1 10 4614 1 1 30 PRO CG C 8.095 -5.593 -1.535 1.00 . A A . 29 PRO CG 1 1 10 4615 1 1 30 PRO HA H 5.769 -3.881 -3.059 1.00 . A A . 29 PRO HA 1 1 10 4616 1 1 30 PRO HB2 H 6.587 -6.455 -2.780 1.00 . A A . 29 PRO HB2 1 1 10 4617 1 1 30 PRO HB3 H 7.569 -5.215 -3.570 1.00 . A A . 29 PRO HB3 1 1 10 4618 1 1 30 PRO HD2 H 8.370 -4.234 0.089 1.00 . A A . 29 PRO HD2 1 1 10 4619 1 1 30 PRO HD3 H 8.994 -3.655 -1.469 1.00 . A A . 29 PRO HD3 1 1 10 4620 1 1 30 PRO HG2 H 7.745 -6.275 -0.776 1.00 . A A . 29 PRO HG2 1 1 10 4621 1 1 30 PRO HG3 H 9.050 -5.916 -1.920 1.00 . A A . 29 PRO HG3 1 1 10 4622 1 1 30 PRO N N 6.889 -3.608 -1.283 1.00 . A A . 29 PRO N 1 1 10 4623 1 1 30 PRO O O 5.057 -5.925 -0.626 1.00 . A A . 29 PRO O 1 1 10 4624 1 1 31 LYS C C 2.478 -6.746 -1.402 1.00 . A A . 30 LYS C 1 1 10 4625 1 1 31 LYS CA C 2.478 -5.222 -1.357 1.00 . A A . 30 LYS CA 1 1 10 4626 1 1 31 LYS CB C 1.261 -4.679 -2.110 1.00 . A A . 30 LYS CB 1 1 10 4627 1 1 31 LYS CD C -1.071 -5.255 -2.845 1.00 . A A . 30 LYS CD 1 1 10 4628 1 1 31 LYS CE C -2.475 -5.079 -2.290 1.00 . A A . 30 LYS CE 1 1 10 4629 1 1 31 LYS CG C -0.042 -5.363 -1.733 1.00 . A A . 30 LYS CG 1 1 10 4630 1 1 31 LYS H H 3.649 -4.011 -2.640 1.00 . A A . 30 LYS H 1 1 10 4631 1 1 31 LYS HA H 2.425 -4.904 -0.327 1.00 . A A . 30 LYS HA 1 1 10 4632 1 1 31 LYS HB2 H 1.163 -3.624 -1.900 1.00 . A A . 30 LYS HB2 1 1 10 4633 1 1 31 LYS HB3 H 1.419 -4.813 -3.170 1.00 . A A . 30 LYS HB3 1 1 10 4634 1 1 31 LYS HD2 H -0.832 -4.402 -3.465 1.00 . A A . 30 LYS HD2 1 1 10 4635 1 1 31 LYS HD3 H -1.039 -6.156 -3.442 1.00 . A A . 30 LYS HD3 1 1 10 4636 1 1 31 LYS HE2 H -2.865 -6.048 -2.016 1.00 . A A . 30 LYS HE2 1 1 10 4637 1 1 31 LYS HE3 H -2.426 -4.450 -1.414 1.00 . A A . 30 LYS HE3 1 1 10 4638 1 1 31 LYS HG2 H 0.153 -6.407 -1.538 1.00 . A A . 30 LYS HG2 1 1 10 4639 1 1 31 LYS HG3 H -0.438 -4.896 -0.842 1.00 . A A . 30 LYS HG3 1 1 10 4640 1 1 31 LYS HZ1 H -3.573 -3.462 -3.027 1.00 . A A . 30 LYS HZ1 1 1 10 4641 1 1 31 LYS HZ2 H -4.296 -4.965 -3.310 1.00 . A A . 30 LYS HZ2 1 1 10 4642 1 1 31 LYS HZ3 H -2.963 -4.481 -4.232 1.00 . A A . 30 LYS HZ3 1 1 10 4643 1 1 31 LYS N N 3.707 -4.684 -1.929 1.00 . A A . 30 LYS N 1 1 10 4644 1 1 31 LYS NZ N -3.391 -4.453 -3.284 1.00 . A A . 30 LYS NZ 1 1 10 4645 1 1 31 LYS O O 2.964 -7.364 -2.350 1.00 . A A . 30 LYS O 1 1 10 4646 1 1 32 PRO C C 0.863 -9.430 -1.255 1.00 . A A . 31 PRO C 1 1 10 4647 1 1 32 PRO CA C 1.842 -8.830 -0.252 1.00 . A A . 31 PRO CA 1 1 10 4648 1 1 32 PRO CB C 1.348 -9.060 1.180 1.00 . A A . 31 PRO CB 1 1 10 4649 1 1 32 PRO CD C 1.321 -6.697 0.811 1.00 . A A . 31 PRO CD 1 1 10 4650 1 1 32 PRO CG C 0.614 -7.812 1.531 1.00 . A A . 31 PRO CG 1 1 10 4651 1 1 32 PRO HA H 2.811 -9.289 -0.378 1.00 . A A . 31 PRO HA 1 1 10 4652 1 1 32 PRO HB2 H 0.698 -9.922 1.204 1.00 . A A . 31 PRO HB2 1 1 10 4653 1 1 32 PRO HB3 H 2.192 -9.218 1.834 1.00 . A A . 31 PRO HB3 1 1 10 4654 1 1 32 PRO HD2 H 0.616 -5.941 0.500 1.00 . A A . 31 PRO HD2 1 1 10 4655 1 1 32 PRO HD3 H 2.086 -6.267 1.442 1.00 . A A . 31 PRO HD3 1 1 10 4656 1 1 32 PRO HG2 H -0.410 -7.883 1.198 1.00 . A A . 31 PRO HG2 1 1 10 4657 1 1 32 PRO HG3 H 0.652 -7.652 2.598 1.00 . A A . 31 PRO HG3 1 1 10 4658 1 1 32 PRO N N 1.920 -7.370 -0.354 1.00 . A A . 31 PRO N 1 1 10 4659 1 1 32 PRO O O 1.099 -9.333 -2.458 1.00 . A A . 31 PRO O 1 1 10 4660 2 2 1 ZN ZN ZN 6.596 0.770 4.660 1.00 . B A . 32 ZN ZN 1 1 11 4661 1 1 2 HIS C C -12.107 -7.590 -3.685 1.00 . A A . 1 HIS C 1 1 11 4662 1 1 2 HIS CA C -11.892 -7.617 -5.195 1.00 . A A . 1 HIS CA 1 1 11 4663 1 1 2 HIS CB C -10.618 -6.851 -5.555 1.00 . A A . 1 HIS CB 1 1 11 4664 1 1 2 HIS CD2 C -11.509 -4.420 -5.702 1.00 . A A . 1 HIS CD2 1 1 11 4665 1 1 2 HIS CE1 C -10.138 -3.489 -4.267 1.00 . A A . 1 HIS CE1 1 1 11 4666 1 1 2 HIS CG C -10.687 -5.389 -5.237 1.00 . A A . 1 HIS CG 1 1 11 4667 1 1 2 HIS H H -13.444 -6.221 -5.554 1.00 . A A . 1 HIS H 1 1 11 4668 1 1 2 HIS HA H -11.787 -8.642 -5.513 1.00 . A A . 1 HIS HA 1 1 11 4669 1 1 2 HIS HB2 H -9.787 -7.271 -5.006 1.00 . A A . 1 HIS HB2 1 1 11 4670 1 1 2 HIS HB3 H -10.431 -6.952 -6.614 1.00 . A A . 1 HIS HB3 1 1 11 4671 1 1 2 HIS HD1 H -9.127 -5.213 -3.832 1.00 . A A . 1 HIS HD1 1 1 11 4672 1 1 2 HIS HD2 H -12.303 -4.544 -6.425 1.00 . A A . 1 HIS HD2 1 1 11 4673 1 1 2 HIS HE1 H -9.641 -2.759 -3.645 1.00 . A A . 1 HIS HE1 1 1 11 4674 1 1 2 HIS N N -13.039 -7.046 -5.893 1.00 . A A . 1 HIS N 1 1 11 4675 1 1 2 HIS ND1 N -9.840 -4.774 -4.340 1.00 . A A . 1 HIS ND1 1 1 11 4676 1 1 2 HIS NE2 N -11.148 -3.248 -5.083 1.00 . A A . 1 HIS NE2 1 1 11 4677 1 1 2 HIS O O -12.534 -6.580 -3.127 1.00 . A A . 1 HIS O 1 1 11 4678 1 1 3 MET C C -11.259 -7.663 -0.875 1.00 . A A . 2 MET C 1 1 11 4679 1 1 3 MET CA C -11.970 -8.811 -1.584 1.00 . A A . 2 MET CA 1 1 11 4680 1 1 3 MET CB C -11.426 -10.150 -1.084 1.00 . A A . 2 MET CB 1 1 11 4681 1 1 3 MET CE C -7.472 -9.703 -2.222 1.00 . A A . 2 MET CE 1 1 11 4682 1 1 3 MET CG C -9.908 -10.195 -0.996 1.00 . A A . 2 MET CG 1 1 11 4683 1 1 3 MET H H -11.474 -9.481 -3.530 1.00 . A A . 2 MET H 1 1 11 4684 1 1 3 MET HA H -13.025 -8.758 -1.364 1.00 . A A . 2 MET HA 1 1 11 4685 1 1 3 MET HB2 H -11.827 -10.345 -0.101 1.00 . A A . 2 MET HB2 1 1 11 4686 1 1 3 MET HB3 H -11.747 -10.931 -1.757 1.00 . A A . 2 MET HB3 1 1 11 4687 1 1 3 MET HE1 H -6.830 -9.837 -3.079 1.00 . A A . 2 MET HE1 1 1 11 4688 1 1 3 MET HE2 H -7.513 -8.655 -1.962 1.00 . A A . 2 MET HE2 1 1 11 4689 1 1 3 MET HE3 H -7.082 -10.267 -1.388 1.00 . A A . 2 MET HE3 1 1 11 4690 1 1 3 MET HG2 H -9.564 -9.304 -0.493 1.00 . A A . 2 MET HG2 1 1 11 4691 1 1 3 MET HG3 H -9.621 -11.064 -0.423 1.00 . A A . 2 MET HG3 1 1 11 4692 1 1 3 MET N N -11.809 -8.708 -3.031 1.00 . A A . 2 MET N 1 1 11 4693 1 1 3 MET O O -10.160 -7.267 -1.261 1.00 . A A . 2 MET O 1 1 11 4694 1 1 3 MET SD S -9.121 -10.283 -2.616 1.00 . A A . 2 MET SD 1 1 11 4695 1 1 4 VAL C C -11.008 -6.458 2.358 1.00 . A A . 3 VAL C 1 1 11 4696 1 1 4 VAL CA C -11.323 -6.030 0.929 1.00 . A A . 3 VAL CA 1 1 11 4697 1 1 4 VAL CB C -12.275 -4.820 0.965 1.00 . A A . 3 VAL CB 1 1 11 4698 1 1 4 VAL CG1 C -12.024 -3.981 2.209 1.00 . A A . 3 VAL CG1 1 1 11 4699 1 1 4 VAL CG2 C -12.118 -3.981 -0.293 1.00 . A A . 3 VAL CG2 1 1 11 4700 1 1 4 VAL H H -12.769 -7.491 0.425 1.00 . A A . 3 VAL H 1 1 11 4701 1 1 4 VAL HA H -10.408 -5.727 0.443 1.00 . A A . 3 VAL HA 1 1 11 4702 1 1 4 VAL HB H -13.290 -5.186 1.005 1.00 . A A . 3 VAL HB 1 1 11 4703 1 1 4 VAL HG11 H -12.661 -3.108 2.189 1.00 . A A . 3 VAL HG11 1 1 11 4704 1 1 4 VAL HG12 H -12.242 -4.567 3.090 1.00 . A A . 3 VAL HG12 1 1 11 4705 1 1 4 VAL HG13 H -10.990 -3.669 2.230 1.00 . A A . 3 VAL HG13 1 1 11 4706 1 1 4 VAL HG21 H -11.523 -4.523 -1.014 1.00 . A A . 3 VAL HG21 1 1 11 4707 1 1 4 VAL HG22 H -13.092 -3.775 -0.714 1.00 . A A . 3 VAL HG22 1 1 11 4708 1 1 4 VAL HG23 H -11.629 -3.050 -0.049 1.00 . A A . 3 VAL HG23 1 1 11 4709 1 1 4 VAL N N -11.895 -7.133 0.165 1.00 . A A . 3 VAL N 1 1 11 4710 1 1 4 VAL O O -11.905 -6.814 3.123 1.00 . A A . 3 VAL O 1 1 11 4711 1 1 5 ILE C C -9.006 -5.573 4.906 1.00 . A A . 4 ILE C 1 1 11 4712 1 1 5 ILE CA C -9.293 -6.802 4.050 1.00 . A A . 4 ILE CA 1 1 11 4713 1 1 5 ILE CB C -8.034 -7.687 4.002 1.00 . A A . 4 ILE CB 1 1 11 4714 1 1 5 ILE CD1 C -7.592 -8.014 1.517 1.00 . A A . 4 ILE CD1 1 1 11 4715 1 1 5 ILE CG1 C -8.094 -8.634 2.802 1.00 . A A . 4 ILE CG1 1 1 11 4716 1 1 5 ILE CG2 C -7.888 -8.472 5.297 1.00 . A A . 4 ILE CG2 1 1 11 4717 1 1 5 ILE H H -9.059 -6.129 2.057 1.00 . A A . 4 ILE H 1 1 11 4718 1 1 5 ILE HA H -10.090 -7.370 4.509 1.00 . A A . 4 ILE HA 1 1 11 4719 1 1 5 ILE HB H -7.172 -7.043 3.900 1.00 . A A . 4 ILE HB 1 1 11 4720 1 1 5 ILE HD11 H -6.811 -8.632 1.100 1.00 . A A . 4 ILE HD11 1 1 11 4721 1 1 5 ILE HD12 H -8.407 -7.937 0.812 1.00 . A A . 4 ILE HD12 1 1 11 4722 1 1 5 ILE HD13 H -7.201 -7.028 1.722 1.00 . A A . 4 ILE HD13 1 1 11 4723 1 1 5 ILE HG12 H -7.491 -9.504 3.007 1.00 . A A . 4 ILE HG12 1 1 11 4724 1 1 5 ILE HG13 H -9.118 -8.940 2.646 1.00 . A A . 4 ILE HG13 1 1 11 4725 1 1 5 ILE HG21 H -8.142 -7.836 6.134 1.00 . A A . 4 ILE HG21 1 1 11 4726 1 1 5 ILE HG22 H -8.553 -9.323 5.278 1.00 . A A . 4 ILE HG22 1 1 11 4727 1 1 5 ILE HG23 H -6.869 -8.812 5.399 1.00 . A A . 4 ILE HG23 1 1 11 4728 1 1 5 ILE N N -9.727 -6.420 2.711 1.00 . A A . 4 ILE N 1 1 11 4729 1 1 5 ILE O O -8.957 -5.657 6.133 1.00 . A A . 4 ILE O 1 1 11 4730 1 1 6 GLY C C -7.089 -2.781 4.855 1.00 . A A . 5 GLY C 1 1 11 4731 1 1 6 GLY CA C -8.541 -3.201 4.967 1.00 . A A . 5 GLY CA 1 1 11 4732 1 1 6 GLY H H -8.870 -4.426 3.271 1.00 . A A . 5 GLY H 1 1 11 4733 1 1 6 GLY HA2 H -9.164 -2.416 4.567 1.00 . A A . 5 GLY HA2 1 1 11 4734 1 1 6 GLY HA3 H -8.782 -3.344 6.010 1.00 . A A . 5 GLY HA3 1 1 11 4735 1 1 6 GLY N N -8.819 -4.432 4.250 1.00 . A A . 5 GLY N 1 1 11 4736 1 1 6 GLY O O -6.216 -3.601 4.570 1.00 . A A . 5 GLY O 1 1 11 4737 1 1 7 THR C C -4.478 -1.893 5.691 1.00 . A A . 6 THR C 1 1 11 4738 1 1 7 THR CA C -5.472 -0.967 4.998 1.00 . A A . 6 THR CA 1 1 11 4739 1 1 7 THR CB C -5.378 0.435 5.630 1.00 . A A . 6 THR CB 1 1 11 4740 1 1 7 THR CG2 C -6.105 1.462 4.777 1.00 . A A . 6 THR CG2 1 1 11 4741 1 1 7 THR H H -7.566 -0.892 5.302 1.00 . A A . 6 THR H 1 1 11 4742 1 1 7 THR HA H -5.207 -0.887 3.954 1.00 . A A . 6 THR HA 1 1 11 4743 1 1 7 THR HB H -4.336 0.714 5.696 1.00 . A A . 6 THR HB 1 1 11 4744 1 1 7 THR HG1 H -5.233 0.384 7.596 1.00 . A A . 6 THR HG1 1 1 11 4745 1 1 7 THR HG21 H -5.384 2.111 4.301 1.00 . A A . 6 THR HG21 1 1 11 4746 1 1 7 THR HG22 H -6.760 2.051 5.403 1.00 . A A . 6 THR HG22 1 1 11 4747 1 1 7 THR HG23 H -6.688 0.956 4.022 1.00 . A A . 6 THR HG23 1 1 11 4748 1 1 7 THR N N -6.827 -1.497 5.078 1.00 . A A . 6 THR N 1 1 11 4749 1 1 7 THR O O -4.694 -2.308 6.830 1.00 . A A . 6 THR O 1 1 11 4750 1 1 7 THR OG1 O -5.940 0.417 6.948 1.00 . A A . 6 THR OG1 1 1 11 4751 1 1 8 TRP C C -1.256 -2.278 6.213 1.00 . A A . 7 TRP C 1 1 11 4752 1 1 8 TRP CA C -2.365 -3.088 5.549 1.00 . A A . 7 TRP CA 1 1 11 4753 1 1 8 TRP CB C -1.777 -3.973 4.448 1.00 . A A . 7 TRP CB 1 1 11 4754 1 1 8 TRP CD1 C -2.470 -2.851 2.250 1.00 . A A . 7 TRP CD1 1 1 11 4755 1 1 8 TRP CD2 C -0.267 -2.808 2.650 1.00 . A A . 7 TRP CD2 1 1 11 4756 1 1 8 TRP CE2 C -0.514 -2.165 1.421 1.00 . A A . 7 TRP CE2 1 1 11 4757 1 1 8 TRP CE3 C 1.049 -2.902 3.108 1.00 . A A . 7 TRP CE3 1 1 11 4758 1 1 8 TRP CG C -1.532 -3.239 3.164 1.00 . A A . 7 TRP CG 1 1 11 4759 1 1 8 TRP CH2 C 1.788 -1.726 1.122 1.00 . A A . 7 TRP CH2 1 1 11 4760 1 1 8 TRP CZ2 C 0.508 -1.620 0.648 1.00 . A A . 7 TRP CZ2 1 1 11 4761 1 1 8 TRP CZ3 C 2.063 -2.361 2.341 1.00 . A A . 7 TRP CZ3 1 1 11 4762 1 1 8 TRP H H -3.277 -1.848 4.094 1.00 . A A . 7 TRP H 1 1 11 4763 1 1 8 TRP HA H -2.830 -3.716 6.293 1.00 . A A . 7 TRP HA 1 1 11 4764 1 1 8 TRP HB2 H -0.834 -4.378 4.784 1.00 . A A . 7 TRP HB2 1 1 11 4765 1 1 8 TRP HB3 H -2.460 -4.784 4.245 1.00 . A A . 7 TRP HB3 1 1 11 4766 1 1 8 TRP HD1 H -3.529 -3.034 2.352 1.00 . A A . 7 TRP HD1 1 1 11 4767 1 1 8 TRP HE1 H -2.327 -1.832 0.419 1.00 . A A . 7 TRP HE1 1 1 11 4768 1 1 8 TRP HE3 H 1.281 -3.387 4.046 1.00 . A A . 7 TRP HE3 1 1 11 4769 1 1 8 TRP HH2 H 2.611 -1.318 0.555 1.00 . A A . 7 TRP HH2 1 1 11 4770 1 1 8 TRP HZ2 H 0.313 -1.127 -0.293 1.00 . A A . 7 TRP HZ2 1 1 11 4771 1 1 8 TRP HZ3 H 3.086 -2.424 2.679 1.00 . A A . 7 TRP HZ3 1 1 11 4772 1 1 8 TRP N N -3.392 -2.211 4.998 1.00 . A A . 7 TRP N 1 1 11 4773 1 1 8 TRP NE1 N -1.865 -2.205 1.200 1.00 . A A . 7 TRP NE1 1 1 11 4774 1 1 8 TRP O O -0.811 -1.262 5.678 1.00 . A A . 7 TRP O 1 1 11 4775 1 1 9 ASP C C 1.609 -2.633 7.771 1.00 . A A . 8 ASP C 1 1 11 4776 1 1 9 ASP CA C 0.242 -2.050 8.117 1.00 . A A . 8 ASP CA 1 1 11 4777 1 1 9 ASP CB C -0.005 -2.158 9.623 1.00 . A A . 8 ASP CB 1 1 11 4778 1 1 9 ASP CG C -1.355 -1.601 10.030 1.00 . A A . 8 ASP CG 1 1 11 4779 1 1 9 ASP H H -1.211 -3.548 7.756 1.00 . A A . 8 ASP H 1 1 11 4780 1 1 9 ASP HA H 0.225 -1.009 7.833 1.00 . A A . 8 ASP HA 1 1 11 4781 1 1 9 ASP HB2 H 0.037 -3.197 9.914 1.00 . A A . 8 ASP HB2 1 1 11 4782 1 1 9 ASP HB3 H 0.763 -1.609 10.147 1.00 . A A . 8 ASP HB3 1 1 11 4783 1 1 9 ASP N N -0.816 -2.733 7.381 1.00 . A A . 8 ASP N 1 1 11 4784 1 1 9 ASP O O 1.801 -3.848 7.796 1.00 . A A . 8 ASP O 1 1 11 4785 1 1 9 ASP OD1 O -2.274 -1.594 9.183 1.00 . A A . 8 ASP OD1 1 1 11 4786 1 1 9 ASP OD2 O -1.494 -1.172 11.194 1.00 . A A . 8 ASP OD2 1 1 11 4787 1 1 10 CYS C C 4.563 -2.920 8.255 1.00 . A A . 9 CYS C 1 1 11 4788 1 1 10 CYS CA C 3.903 -2.182 7.093 1.00 . A A . 9 CYS CA 1 1 11 4789 1 1 10 CYS CB C 4.752 -0.976 6.691 1.00 . A A . 9 CYS CB 1 1 11 4790 1 1 10 CYS H H 2.339 -0.800 7.445 1.00 . A A . 9 CYS H 1 1 11 4791 1 1 10 CYS HA H 3.828 -2.856 6.252 1.00 . A A . 9 CYS HA 1 1 11 4792 1 1 10 CYS HB2 H 4.132 -0.271 6.157 1.00 . A A . 9 CYS HB2 1 1 11 4793 1 1 10 CYS HB3 H 5.138 -0.504 7.582 1.00 . A A . 9 CYS HB3 1 1 11 4794 1 1 10 CYS N N 2.554 -1.757 7.446 1.00 . A A . 9 CYS N 1 1 11 4795 1 1 10 CYS O O 4.082 -2.871 9.387 1.00 . A A . 9 CYS O 1 1 11 4796 1 1 10 CYS SG S 6.169 -1.386 5.623 1.00 . A A . 9 CYS SG 1 1 11 4797 1 1 11 ASP C C 7.883 -4.018 8.941 1.00 . A A . 10 ASP C 1 1 11 4798 1 1 11 ASP CA C 6.394 -4.346 8.987 1.00 . A A . 10 ASP CA 1 1 11 4799 1 1 11 ASP CB C 6.183 -5.849 8.798 1.00 . A A . 10 ASP CB 1 1 11 4800 1 1 11 ASP CG C 6.976 -6.403 7.631 1.00 . A A . 10 ASP CG 1 1 11 4801 1 1 11 ASP H H 6.000 -3.600 7.045 1.00 . A A . 10 ASP H 1 1 11 4802 1 1 11 ASP HA H 6.004 -4.055 9.951 1.00 . A A . 10 ASP HA 1 1 11 4803 1 1 11 ASP HB2 H 6.492 -6.364 9.697 1.00 . A A . 10 ASP HB2 1 1 11 4804 1 1 11 ASP HB3 H 5.135 -6.039 8.621 1.00 . A A . 10 ASP HB3 1 1 11 4805 1 1 11 ASP N N 5.666 -3.600 7.967 1.00 . A A . 10 ASP N 1 1 11 4806 1 1 11 ASP O O 8.703 -4.716 9.540 1.00 . A A . 10 ASP O 1 1 11 4807 1 1 11 ASP OD1 O 7.611 -5.602 6.913 1.00 . A A . 10 ASP OD1 1 1 11 4808 1 1 11 ASP OD2 O 6.961 -7.636 7.436 1.00 . A A . 10 ASP OD2 1 1 11 4809 1 1 12 THR C C 9.780 -1.056 8.429 1.00 . A A . 11 THR C 1 1 11 4810 1 1 12 THR CA C 9.618 -2.535 8.097 1.00 . A A . 11 THR CA 1 1 11 4811 1 1 12 THR CB C 10.155 -2.792 6.677 1.00 . A A . 11 THR CB 1 1 11 4812 1 1 12 THR CG2 C 11.178 -1.737 6.286 1.00 . A A . 11 THR CG2 1 1 11 4813 1 1 12 THR H H 7.530 -2.437 7.770 1.00 . A A . 11 THR H 1 1 11 4814 1 1 12 THR HA H 10.207 -3.116 8.793 1.00 . A A . 11 THR HA 1 1 11 4815 1 1 12 THR HB H 9.329 -2.746 5.983 1.00 . A A . 11 THR HB 1 1 11 4816 1 1 12 THR HG1 H 10.086 -4.760 6.779 1.00 . A A . 11 THR HG1 1 1 11 4817 1 1 12 THR HG21 H 10.668 -0.825 6.010 1.00 . A A . 11 THR HG21 1 1 11 4818 1 1 12 THR HG22 H 11.759 -2.092 5.447 1.00 . A A . 11 THR HG22 1 1 11 4819 1 1 12 THR HG23 H 11.833 -1.543 7.121 1.00 . A A . 11 THR HG23 1 1 11 4820 1 1 12 THR N N 8.228 -2.953 8.224 1.00 . A A . 11 THR N 1 1 11 4821 1 1 12 THR O O 10.717 -0.664 9.127 1.00 . A A . 11 THR O 1 1 11 4822 1 1 12 THR OG1 O 10.752 -4.092 6.607 1.00 . A A . 11 THR OG1 1 1 11 4823 1 1 13 CYS C C 7.758 1.628 9.082 1.00 . A A . 12 CYS C 1 1 11 4824 1 1 13 CYS CA C 8.902 1.199 8.169 1.00 . A A . 12 CYS CA 1 1 11 4825 1 1 13 CYS CB C 8.827 1.964 6.845 1.00 . A A . 12 CYS CB 1 1 11 4826 1 1 13 CYS H H 8.139 -0.610 7.376 1.00 . A A . 12 CYS H 1 1 11 4827 1 1 13 CYS HA H 9.839 1.428 8.653 1.00 . A A . 12 CYS HA 1 1 11 4828 1 1 13 CYS HB2 H 9.361 2.897 6.946 1.00 . A A . 12 CYS HB2 1 1 11 4829 1 1 13 CYS HB3 H 9.289 1.372 6.070 1.00 . A A . 12 CYS HB3 1 1 11 4830 1 1 13 CYS N N 8.862 -0.238 7.926 1.00 . A A . 12 CYS N 1 1 11 4831 1 1 13 CYS O O 7.699 2.777 9.525 1.00 . A A . 12 CYS O 1 1 11 4832 1 1 13 CYS SG S 7.130 2.354 6.308 1.00 . A A . 12 CYS SG 1 1 11 4833 1 1 14 LEU C C 4.823 2.065 9.618 1.00 . A A . 13 LEU C 1 1 11 4834 1 1 14 LEU CA C 5.707 0.980 10.224 1.00 . A A . 13 LEU CA 1 1 11 4835 1 1 14 LEU CB C 6.184 1.411 11.611 1.00 . A A . 13 LEU CB 1 1 11 4836 1 1 14 LEU CD1 C 7.824 -0.287 12.454 1.00 . A A . 13 LEU CD1 1 1 11 4837 1 1 14 LEU CD2 C 6.212 0.785 14.039 1.00 . A A . 13 LEU CD2 1 1 11 4838 1 1 14 LEU CG C 6.425 0.284 12.618 1.00 . A A . 13 LEU CG 1 1 11 4839 1 1 14 LEU H H 6.951 -0.197 8.980 1.00 . A A . 13 LEU H 1 1 11 4840 1 1 14 LEU HA H 5.130 0.072 10.315 1.00 . A A . 13 LEU HA 1 1 11 4841 1 1 14 LEU HB2 H 7.111 1.949 11.491 1.00 . A A . 13 LEU HB2 1 1 11 4842 1 1 14 LEU HB3 H 5.437 2.072 12.026 1.00 . A A . 13 LEU HB3 1 1 11 4843 1 1 14 LEU HD11 H 7.969 -0.598 11.430 1.00 . A A . 13 LEU HD11 1 1 11 4844 1 1 14 LEU HD12 H 7.944 -1.138 13.108 1.00 . A A . 13 LEU HD12 1 1 11 4845 1 1 14 LEU HD13 H 8.553 0.468 12.709 1.00 . A A . 13 LEU HD13 1 1 11 4846 1 1 14 LEU HD21 H 6.123 -0.059 14.707 1.00 . A A . 13 LEU HD21 1 1 11 4847 1 1 14 LEU HD22 H 5.309 1.377 14.082 1.00 . A A . 13 LEU HD22 1 1 11 4848 1 1 14 LEU HD23 H 7.055 1.391 14.336 1.00 . A A . 13 LEU HD23 1 1 11 4849 1 1 14 LEU HG H 5.716 -0.512 12.433 1.00 . A A . 13 LEU HG 1 1 11 4850 1 1 14 LEU N N 6.850 0.699 9.362 1.00 . A A . 13 LEU N 1 1 11 4851 1 1 14 LEU O O 4.907 3.234 9.998 1.00 . A A . 13 LEU O 1 1 11 4852 1 1 15 VAL C C 1.887 1.884 7.387 1.00 . A A . 14 VAL C 1 1 11 4853 1 1 15 VAL CA C 3.070 2.610 8.018 1.00 . A A . 14 VAL CA 1 1 11 4854 1 1 15 VAL CB C 3.798 3.423 6.932 1.00 . A A . 14 VAL CB 1 1 11 4855 1 1 15 VAL CG1 C 2.796 4.085 6.000 1.00 . A A . 14 VAL CG1 1 1 11 4856 1 1 15 VAL CG2 C 4.713 4.459 7.567 1.00 . A A . 14 VAL CG2 1 1 11 4857 1 1 15 VAL H H 3.952 0.726 8.415 1.00 . A A . 14 VAL H 1 1 11 4858 1 1 15 VAL HA H 2.701 3.297 8.767 1.00 . A A . 14 VAL HA 1 1 11 4859 1 1 15 VAL HB H 4.405 2.745 6.350 1.00 . A A . 14 VAL HB 1 1 11 4860 1 1 15 VAL HG11 H 1.887 4.303 6.542 1.00 . A A . 14 VAL HG11 1 1 11 4861 1 1 15 VAL HG12 H 3.215 5.002 5.613 1.00 . A A . 14 VAL HG12 1 1 11 4862 1 1 15 VAL HG13 H 2.572 3.418 5.180 1.00 . A A . 14 VAL HG13 1 1 11 4863 1 1 15 VAL HG21 H 4.169 5.004 8.324 1.00 . A A . 14 VAL HG21 1 1 11 4864 1 1 15 VAL HG22 H 5.560 3.963 8.020 1.00 . A A . 14 VAL HG22 1 1 11 4865 1 1 15 VAL HG23 H 5.062 5.145 6.809 1.00 . A A . 14 VAL HG23 1 1 11 4866 1 1 15 VAL N N 3.973 1.671 8.675 1.00 . A A . 14 VAL N 1 1 11 4867 1 1 15 VAL O O 2.058 0.868 6.714 1.00 . A A . 14 VAL O 1 1 11 4868 1 1 16 GLN C C -0.769 2.290 5.635 1.00 . A A . 15 GLN C 1 1 11 4869 1 1 16 GLN CA C -0.524 1.814 7.064 1.00 . A A . 15 GLN CA 1 1 11 4870 1 1 16 GLN CB C -1.728 2.158 7.941 1.00 . A A . 15 GLN CB 1 1 11 4871 1 1 16 GLN CD C -2.884 1.767 10.154 1.00 . A A . 15 GLN CD 1 1 11 4872 1 1 16 GLN CG C -1.580 1.701 9.384 1.00 . A A . 15 GLN CG 1 1 11 4873 1 1 16 GLN H H 0.617 3.223 8.156 1.00 . A A . 15 GLN H 1 1 11 4874 1 1 16 GLN HA H -0.390 0.744 7.054 1.00 . A A . 15 GLN HA 1 1 11 4875 1 1 16 GLN HB2 H -1.869 3.228 7.938 1.00 . A A . 15 GLN HB2 1 1 11 4876 1 1 16 GLN HB3 H -2.607 1.686 7.527 1.00 . A A . 15 GLN HB3 1 1 11 4877 1 1 16 GLN HE21 H -2.969 3.736 9.892 1.00 . A A . 15 GLN HE21 1 1 11 4878 1 1 16 GLN HE22 H -4.274 3.040 10.784 1.00 . A A . 15 GLN HE22 1 1 11 4879 1 1 16 GLN HG2 H -1.227 0.681 9.391 1.00 . A A . 15 GLN HG2 1 1 11 4880 1 1 16 GLN HG3 H -0.856 2.334 9.875 1.00 . A A . 15 GLN HG3 1 1 11 4881 1 1 16 GLN N N 0.688 2.412 7.611 1.00 . A A . 15 GLN N 1 1 11 4882 1 1 16 GLN NE2 N -3.431 2.969 10.291 1.00 . A A . 15 GLN NE2 1 1 11 4883 1 1 16 GLN O O -0.468 3.432 5.291 1.00 . A A . 15 GLN O 1 1 11 4884 1 1 16 GLN OE1 O -3.395 0.747 10.620 1.00 . A A . 15 GLN OE1 1 1 11 4885 1 1 17 ASN C C -2.897 1.076 2.955 1.00 . A A . 16 ASN C 1 1 11 4886 1 1 17 ASN CA C -1.600 1.734 3.415 1.00 . A A . 16 ASN CA 1 1 11 4887 1 1 17 ASN CB C -0.443 1.291 2.518 1.00 . A A . 16 ASN CB 1 1 11 4888 1 1 17 ASN CG C 0.894 1.337 3.232 1.00 . A A . 16 ASN CG 1 1 11 4889 1 1 17 ASN H H -1.532 0.509 5.141 1.00 . A A . 16 ASN H 1 1 11 4890 1 1 17 ASN HA H -1.708 2.806 3.345 1.00 . A A . 16 ASN HA 1 1 11 4891 1 1 17 ASN HB2 H -0.618 0.276 2.190 1.00 . A A . 16 ASN HB2 1 1 11 4892 1 1 17 ASN HB3 H -0.393 1.940 1.657 1.00 . A A . 16 ASN HB3 1 1 11 4893 1 1 17 ASN HD21 H 0.316 -0.113 4.463 1.00 . A A . 16 ASN HD21 1 1 11 4894 1 1 17 ASN HD22 H 1.911 0.497 4.720 1.00 . A A . 16 ASN HD22 1 1 11 4895 1 1 17 ASN N N -1.315 1.405 4.807 1.00 . A A . 16 ASN N 1 1 11 4896 1 1 17 ASN ND2 N 1.057 0.488 4.240 1.00 . A A . 16 ASN ND2 1 1 11 4897 1 1 17 ASN O O -3.248 -0.013 3.407 1.00 . A A . 16 ASN O 1 1 11 4898 1 1 17 ASN OD1 O 1.770 2.128 2.883 1.00 . A A . 16 ASN OD1 1 1 11 4899 1 1 18 LYS C C -4.643 -0.095 0.796 1.00 . A A . 17 LYS C 1 1 11 4900 1 1 18 LYS CA C -4.863 1.226 1.526 1.00 . A A . 17 LYS CA 1 1 11 4901 1 1 18 LYS CB C -5.503 2.245 0.581 1.00 . A A . 17 LYS CB 1 1 11 4902 1 1 18 LYS CD C -5.766 3.037 -1.788 1.00 . A A . 17 LYS CD 1 1 11 4903 1 1 18 LYS CE C -5.286 4.478 -1.865 1.00 . A A . 17 LYS CE 1 1 11 4904 1 1 18 LYS CG C -4.923 2.220 -0.823 1.00 . A A . 17 LYS CG 1 1 11 4905 1 1 18 LYS H H -3.272 2.610 1.728 1.00 . A A . 17 LYS H 1 1 11 4906 1 1 18 LYS HA H -5.525 1.056 2.362 1.00 . A A . 17 LYS HA 1 1 11 4907 1 1 18 LYS HB2 H -6.561 2.040 0.515 1.00 . A A . 17 LYS HB2 1 1 11 4908 1 1 18 LYS HB3 H -5.362 3.235 0.989 1.00 . A A . 17 LYS HB3 1 1 11 4909 1 1 18 LYS HD2 H -5.700 2.596 -2.771 1.00 . A A . 17 LYS HD2 1 1 11 4910 1 1 18 LYS HD3 H -6.793 3.025 -1.453 1.00 . A A . 17 LYS HD3 1 1 11 4911 1 1 18 LYS HE2 H -5.230 4.879 -0.864 1.00 . A A . 17 LYS HE2 1 1 11 4912 1 1 18 LYS HE3 H -4.304 4.494 -2.315 1.00 . A A . 17 LYS HE3 1 1 11 4913 1 1 18 LYS HG2 H -3.925 2.630 -0.798 1.00 . A A . 17 LYS HG2 1 1 11 4914 1 1 18 LYS HG3 H -4.885 1.198 -1.169 1.00 . A A . 17 LYS HG3 1 1 11 4915 1 1 18 LYS HZ1 H -5.855 5.398 -3.652 1.00 . A A . 17 LYS HZ1 1 1 11 4916 1 1 18 LYS HZ2 H -6.261 6.281 -2.268 1.00 . A A . 17 LYS HZ2 1 1 11 4917 1 1 18 LYS HZ3 H -7.157 4.910 -2.688 1.00 . A A . 17 LYS HZ3 1 1 11 4918 1 1 18 LYS N N -3.605 1.746 2.051 1.00 . A A . 17 LYS N 1 1 11 4919 1 1 18 LYS NZ N -6.204 5.326 -2.675 1.00 . A A . 17 LYS NZ 1 1 11 4920 1 1 18 LYS O O -3.607 -0.319 0.168 1.00 . A A . 17 LYS O 1 1 11 4921 1 1 19 PRO C C -5.660 -2.200 -1.294 1.00 . A A . 18 PRO C 1 1 11 4922 1 1 19 PRO CA C -5.579 -2.301 0.225 1.00 . A A . 18 PRO CA 1 1 11 4923 1 1 19 PRO CB C -6.807 -3.028 0.780 1.00 . A A . 18 PRO CB 1 1 11 4924 1 1 19 PRO CD C -6.902 -0.788 1.605 1.00 . A A . 18 PRO CD 1 1 11 4925 1 1 19 PRO CG C -7.753 -1.941 1.154 1.00 . A A . 18 PRO CG 1 1 11 4926 1 1 19 PRO HA H -4.684 -2.839 0.501 1.00 . A A . 18 PRO HA 1 1 11 4927 1 1 19 PRO HB2 H -7.223 -3.671 0.015 1.00 . A A . 18 PRO HB2 1 1 11 4928 1 1 19 PRO HB3 H -6.523 -3.618 1.638 1.00 . A A . 18 PRO HB3 1 1 11 4929 1 1 19 PRO HD2 H -7.360 0.151 1.332 1.00 . A A . 18 PRO HD2 1 1 11 4930 1 1 19 PRO HD3 H -6.740 -0.833 2.673 1.00 . A A . 18 PRO HD3 1 1 11 4931 1 1 19 PRO HG2 H -8.345 -1.657 0.296 1.00 . A A . 18 PRO HG2 1 1 11 4932 1 1 19 PRO HG3 H -8.392 -2.273 1.959 1.00 . A A . 18 PRO HG3 1 1 11 4933 1 1 19 PRO N N -5.639 -0.989 0.875 1.00 . A A . 18 PRO N 1 1 11 4934 1 1 19 PRO O O -5.437 -3.180 -2.003 1.00 . A A . 18 PRO O 1 1 11 4935 1 1 20 GLU C C -4.738 -0.408 -3.822 1.00 . A A . 19 GLU C 1 1 11 4936 1 1 20 GLU CA C -6.092 -0.780 -3.223 1.00 . A A . 19 GLU CA 1 1 11 4937 1 1 20 GLU CB C -7.109 0.326 -3.510 1.00 . A A . 19 GLU CB 1 1 11 4938 1 1 20 GLU CD C -6.925 0.069 -6.015 1.00 . A A . 19 GLU CD 1 1 11 4939 1 1 20 GLU CG C -6.890 1.026 -4.840 1.00 . A A . 19 GLU CG 1 1 11 4940 1 1 20 GLU H H -6.147 -0.264 -1.170 1.00 . A A . 19 GLU H 1 1 11 4941 1 1 20 GLU HA H -6.433 -1.698 -3.678 1.00 . A A . 19 GLU HA 1 1 11 4942 1 1 20 GLU HB2 H -8.100 -0.104 -3.512 1.00 . A A . 19 GLU HB2 1 1 11 4943 1 1 20 GLU HB3 H -7.050 1.065 -2.724 1.00 . A A . 19 GLU HB3 1 1 11 4944 1 1 20 GLU HG2 H -7.663 1.766 -4.975 1.00 . A A . 19 GLU HG2 1 1 11 4945 1 1 20 GLU HG3 H -5.926 1.513 -4.821 1.00 . A A . 19 GLU HG3 1 1 11 4946 1 1 20 GLU N N -5.981 -1.007 -1.787 1.00 . A A . 19 GLU N 1 1 11 4947 1 1 20 GLU O O -4.595 -0.299 -5.038 1.00 . A A . 19 GLU O 1 1 11 4948 1 1 20 GLU OE1 O -7.043 -1.153 -5.784 1.00 . A A . 19 GLU OE1 1 1 11 4949 1 1 20 GLU OE2 O -6.836 0.542 -7.168 1.00 . A A . 19 GLU OE2 1 1 11 4950 1 1 21 ALA C C -1.595 -1.098 -3.750 1.00 . A A . 20 ALA C 1 1 11 4951 1 1 21 ALA CA C -2.407 0.144 -3.397 1.00 . A A . 20 ALA CA 1 1 11 4952 1 1 21 ALA CB C -1.696 0.953 -2.323 1.00 . A A . 20 ALA CB 1 1 11 4953 1 1 21 ALA H H -3.925 -0.315 -1.998 1.00 . A A . 20 ALA H 1 1 11 4954 1 1 21 ALA HA H -2.499 0.763 -4.278 1.00 . A A . 20 ALA HA 1 1 11 4955 1 1 21 ALA HB1 H -0.694 1.187 -2.653 1.00 . A A . 20 ALA HB1 1 1 11 4956 1 1 21 ALA HB2 H -2.239 1.869 -2.144 1.00 . A A . 20 ALA HB2 1 1 11 4957 1 1 21 ALA HB3 H -1.649 0.378 -1.411 1.00 . A A . 20 ALA HB3 1 1 11 4958 1 1 21 ALA N N -3.749 -0.214 -2.956 1.00 . A A . 20 ALA N 1 1 11 4959 1 1 21 ALA O O -2.032 -2.224 -3.511 1.00 . A A . 20 ALA O 1 1 11 4960 1 1 22 ILE C C 1.741 -1.988 -3.881 1.00 . A A . 21 ILE C 1 1 11 4961 1 1 22 ILE CA C 0.458 -1.988 -4.705 1.00 . A A . 21 ILE CA 1 1 11 4962 1 1 22 ILE CB C 0.822 -1.922 -6.201 1.00 . A A . 21 ILE CB 1 1 11 4963 1 1 22 ILE CD1 C 2.404 -0.792 -7.842 1.00 . A A . 21 ILE CD1 1 1 11 4964 1 1 22 ILE CG1 C 2.123 -1.142 -6.398 1.00 . A A . 21 ILE CG1 1 1 11 4965 1 1 22 ILE CG2 C -0.310 -1.285 -6.993 1.00 . A A . 21 ILE CG2 1 1 11 4966 1 1 22 ILE H H -0.121 0.035 -4.485 1.00 . A A . 21 ILE H 1 1 11 4967 1 1 22 ILE HA H -0.074 -2.911 -4.525 1.00 . A A . 21 ILE HA 1 1 11 4968 1 1 22 ILE HB H 0.957 -2.931 -6.560 1.00 . A A . 21 ILE HB 1 1 11 4969 1 1 22 ILE HD11 H 3.469 -0.686 -7.987 1.00 . A A . 21 ILE HD11 1 1 11 4970 1 1 22 ILE HD12 H 2.029 -1.575 -8.483 1.00 . A A . 21 ILE HD12 1 1 11 4971 1 1 22 ILE HD13 H 1.915 0.139 -8.089 1.00 . A A . 21 ILE HD13 1 1 11 4972 1 1 22 ILE HG12 H 2.071 -0.221 -5.838 1.00 . A A . 21 ILE HG12 1 1 11 4973 1 1 22 ILE HG13 H 2.948 -1.734 -6.032 1.00 . A A . 21 ILE HG13 1 1 11 4974 1 1 22 ILE HG21 H -0.600 -0.357 -6.524 1.00 . A A . 21 ILE HG21 1 1 11 4975 1 1 22 ILE HG22 H 0.023 -1.089 -8.001 1.00 . A A . 21 ILE HG22 1 1 11 4976 1 1 22 ILE HG23 H -1.155 -1.957 -7.018 1.00 . A A . 21 ILE HG23 1 1 11 4977 1 1 22 ILE N N -0.414 -0.885 -4.320 1.00 . A A . 21 ILE N 1 1 11 4978 1 1 22 ILE O O 2.502 -2.956 -3.895 1.00 . A A . 21 ILE O 1 1 11 4979 1 1 23 LYS C C 2.930 0.222 -1.192 1.00 . A A . 22 LYS C 1 1 11 4980 1 1 23 LYS CA C 3.165 -0.771 -2.327 1.00 . A A . 22 LYS CA 1 1 11 4981 1 1 23 LYS CB C 4.359 -0.322 -3.172 1.00 . A A . 22 LYS CB 1 1 11 4982 1 1 23 LYS CD C 5.228 1.236 -4.940 1.00 . A A . 22 LYS CD 1 1 11 4983 1 1 23 LYS CE C 5.464 0.051 -5.864 1.00 . A A . 22 LYS CE 1 1 11 4984 1 1 23 LYS CG C 4.108 0.956 -3.951 1.00 . A A . 22 LYS CG 1 1 11 4985 1 1 23 LYS H H 1.331 -0.157 -3.191 1.00 . A A . 22 LYS H 1 1 11 4986 1 1 23 LYS HA H 3.377 -1.739 -1.903 1.00 . A A . 22 LYS HA 1 1 11 4987 1 1 23 LYS HB2 H 5.206 -0.162 -2.519 1.00 . A A . 22 LYS HB2 1 1 11 4988 1 1 23 LYS HB3 H 4.602 -1.106 -3.875 1.00 . A A . 22 LYS HB3 1 1 11 4989 1 1 23 LYS HD2 H 4.964 2.096 -5.537 1.00 . A A . 22 LYS HD2 1 1 11 4990 1 1 23 LYS HD3 H 6.137 1.441 -4.392 1.00 . A A . 22 LYS HD3 1 1 11 4991 1 1 23 LYS HE2 H 6.102 -0.659 -5.361 1.00 . A A . 22 LYS HE2 1 1 11 4992 1 1 23 LYS HE3 H 4.513 -0.412 -6.084 1.00 . A A . 22 LYS HE3 1 1 11 4993 1 1 23 LYS HG2 H 3.179 0.860 -4.493 1.00 . A A . 22 LYS HG2 1 1 11 4994 1 1 23 LYS HG3 H 4.039 1.782 -3.257 1.00 . A A . 22 LYS HG3 1 1 11 4995 1 1 23 LYS HZ1 H 6.957 1.035 -6.945 1.00 . A A . 22 LYS HZ1 1 1 11 4996 1 1 23 LYS HZ2 H 5.449 1.030 -7.709 1.00 . A A . 22 LYS HZ2 1 1 11 4997 1 1 23 LYS HZ3 H 6.389 -0.376 -7.688 1.00 . A A . 22 LYS HZ3 1 1 11 4998 1 1 23 LYS N N 1.975 -0.897 -3.161 1.00 . A A . 22 LYS N 1 1 11 4999 1 1 23 LYS NZ N 6.109 0.464 -7.141 1.00 . A A . 22 LYS NZ 1 1 11 5000 1 1 23 LYS O O 1.848 0.796 -1.069 1.00 . A A . 22 LYS O 1 1 11 5001 1 1 24 CYS C C 3.923 2.792 0.280 1.00 . A A . 23 CYS C 1 1 11 5002 1 1 24 CYS CA C 3.858 1.345 0.758 1.00 . A A . 23 CYS CA 1 1 11 5003 1 1 24 CYS CB C 4.983 1.076 1.760 1.00 . A A . 23 CYS CB 1 1 11 5004 1 1 24 CYS H H 4.790 -0.066 -0.516 1.00 . A A . 23 CYS H 1 1 11 5005 1 1 24 CYS HA H 2.909 1.181 1.244 1.00 . A A . 23 CYS HA 1 1 11 5006 1 1 24 CYS HB2 H 5.245 0.029 1.725 1.00 . A A . 23 CYS HB2 1 1 11 5007 1 1 24 CYS HB3 H 5.845 1.668 1.488 1.00 . A A . 23 CYS HB3 1 1 11 5008 1 1 24 CYS N N 3.952 0.421 -0.366 1.00 . A A . 23 CYS N 1 1 11 5009 1 1 24 CYS O O 4.473 3.082 -0.783 1.00 . A A . 23 CYS O 1 1 11 5010 1 1 24 CYS SG S 4.554 1.481 3.484 1.00 . A A . 23 CYS SG 1 1 11 5011 1 1 25 VAL C C 4.381 5.882 1.551 1.00 . A A . 24 VAL C 1 1 11 5012 1 1 25 VAL CA C 3.351 5.115 0.730 1.00 . A A . 24 VAL CA 1 1 11 5013 1 1 25 VAL CB C 1.962 5.741 0.957 1.00 . A A . 24 VAL CB 1 1 11 5014 1 1 25 VAL CG1 C 1.695 5.924 2.442 1.00 . A A . 24 VAL CG1 1 1 11 5015 1 1 25 VAL CG2 C 1.848 7.065 0.218 1.00 . A A . 24 VAL CG2 1 1 11 5016 1 1 25 VAL H H 2.934 3.405 1.906 1.00 . A A . 24 VAL H 1 1 11 5017 1 1 25 VAL HA H 3.598 5.207 -0.317 1.00 . A A . 24 VAL HA 1 1 11 5018 1 1 25 VAL HB H 1.217 5.067 0.560 1.00 . A A . 24 VAL HB 1 1 11 5019 1 1 25 VAL HG11 H 2.357 6.680 2.836 1.00 . A A . 24 VAL HG11 1 1 11 5020 1 1 25 VAL HG12 H 0.668 6.230 2.590 1.00 . A A . 24 VAL HG12 1 1 11 5021 1 1 25 VAL HG13 H 1.869 4.991 2.958 1.00 . A A . 24 VAL HG13 1 1 11 5022 1 1 25 VAL HG21 H 2.784 7.283 -0.274 1.00 . A A . 24 VAL HG21 1 1 11 5023 1 1 25 VAL HG22 H 1.060 7.001 -0.518 1.00 . A A . 24 VAL HG22 1 1 11 5024 1 1 25 VAL HG23 H 1.619 7.852 0.922 1.00 . A A . 24 VAL HG23 1 1 11 5025 1 1 25 VAL N N 3.357 3.697 1.072 1.00 . A A . 24 VAL N 1 1 11 5026 1 1 25 VAL O O 4.307 7.104 1.673 1.00 . A A . 24 VAL O 1 1 11 5027 1 1 26 ALA C C 7.757 5.182 2.582 1.00 . A A . 25 ALA C 1 1 11 5028 1 1 26 ALA CA C 6.390 5.768 2.920 1.00 . A A . 25 ALA CA 1 1 11 5029 1 1 26 ALA CB C 6.089 5.590 4.400 1.00 . A A . 25 ALA CB 1 1 11 5030 1 1 26 ALA H H 5.348 4.185 1.979 1.00 . A A . 25 ALA H 1 1 11 5031 1 1 26 ALA HA H 6.401 6.827 2.705 1.00 . A A . 25 ALA HA 1 1 11 5032 1 1 26 ALA HB1 H 5.657 4.613 4.563 1.00 . A A . 25 ALA HB1 1 1 11 5033 1 1 26 ALA HB2 H 7.003 5.678 4.966 1.00 . A A . 25 ALA HB2 1 1 11 5034 1 1 26 ALA HB3 H 5.391 6.349 4.719 1.00 . A A . 25 ALA HB3 1 1 11 5035 1 1 26 ALA N N 5.343 5.156 2.112 1.00 . A A . 25 ALA N 1 1 11 5036 1 1 26 ALA O O 8.734 5.912 2.416 1.00 . A A . 25 ALA O 1 1 11 5037 1 1 27 CYS C C 9.006 2.547 0.773 1.00 . A A . 26 CYS C 1 1 11 5038 1 1 27 CYS CA C 9.067 3.173 2.164 1.00 . A A . 26 CYS CA 1 1 11 5039 1 1 27 CYS CB C 9.358 2.093 3.208 1.00 . A A . 26 CYS CB 1 1 11 5040 1 1 27 CYS H H 7.006 3.329 2.624 1.00 . A A . 26 CYS H 1 1 11 5041 1 1 27 CYS HA H 9.861 3.903 2.183 1.00 . A A . 26 CYS HA 1 1 11 5042 1 1 27 CYS HB2 H 10.397 1.802 3.132 1.00 . A A . 26 CYS HB2 1 1 11 5043 1 1 27 CYS HB3 H 9.174 2.496 4.193 1.00 . A A . 26 CYS HB3 1 1 11 5044 1 1 27 CYS N N 7.819 3.858 2.481 1.00 . A A . 26 CYS N 1 1 11 5045 1 1 27 CYS O O 10.019 2.098 0.240 1.00 . A A . 26 CYS O 1 1 11 5046 1 1 27 CYS SG S 8.347 0.588 3.026 1.00 . A A . 26 CYS SG 1 1 11 5047 1 1 28 GLU C C 7.794 0.438 -1.107 1.00 . A A . 27 GLU C 1 1 11 5048 1 1 28 GLU CA C 7.617 1.954 -1.134 1.00 . A A . 27 GLU CA 1 1 11 5049 1 1 28 GLU CB C 8.600 2.575 -2.128 1.00 . A A . 27 GLU CB 1 1 11 5050 1 1 28 GLU CD C 9.912 4.447 -1.054 1.00 . A A . 27 GLU CD 1 1 11 5051 1 1 28 GLU CG C 8.760 4.077 -1.968 1.00 . A A . 27 GLU CG 1 1 11 5052 1 1 28 GLU H H 7.039 2.898 0.670 1.00 . A A . 27 GLU H 1 1 11 5053 1 1 28 GLU HA H 6.609 2.181 -1.450 1.00 . A A . 27 GLU HA 1 1 11 5054 1 1 28 GLU HB2 H 9.568 2.114 -1.995 1.00 . A A . 27 GLU HB2 1 1 11 5055 1 1 28 GLU HB3 H 8.253 2.375 -3.131 1.00 . A A . 27 GLU HB3 1 1 11 5056 1 1 28 GLU HG2 H 8.938 4.512 -2.940 1.00 . A A . 27 GLU HG2 1 1 11 5057 1 1 28 GLU HG3 H 7.848 4.481 -1.555 1.00 . A A . 27 GLU HG3 1 1 11 5058 1 1 28 GLU N N 7.809 2.524 0.194 1.00 . A A . 27 GLU N 1 1 11 5059 1 1 28 GLU O O 8.305 -0.157 -2.056 1.00 . A A . 27 GLU O 1 1 11 5060 1 1 28 GLU OE1 O 11.046 3.994 -1.314 1.00 . A A . 27 GLU OE1 1 1 11 5061 1 1 28 GLU OE2 O 9.678 5.191 -0.078 1.00 . A A . 27 GLU OE2 1 1 11 5062 1 1 29 THR C C 6.499 -2.355 -0.771 1.00 . A A . 28 THR C 1 1 11 5063 1 1 29 THR CA C 7.479 -1.627 0.143 1.00 . A A . 28 THR CA 1 1 11 5064 1 1 29 THR CB C 7.223 -2.059 1.599 1.00 . A A . 28 THR CB 1 1 11 5065 1 1 29 THR CG2 C 6.311 -3.275 1.651 1.00 . A A . 28 THR CG2 1 1 11 5066 1 1 29 THR H H 6.967 0.347 0.711 1.00 . A A . 28 THR H 1 1 11 5067 1 1 29 THR HA H 8.485 -1.914 -0.125 1.00 . A A . 28 THR HA 1 1 11 5068 1 1 29 THR HB H 6.742 -1.244 2.121 1.00 . A A . 28 THR HB 1 1 11 5069 1 1 29 THR HG1 H 8.291 -2.776 3.093 1.00 . A A . 28 THR HG1 1 1 11 5070 1 1 29 THR HG21 H 5.295 -2.972 1.444 1.00 . A A . 28 THR HG21 1 1 11 5071 1 1 29 THR HG22 H 6.362 -3.721 2.632 1.00 . A A . 28 THR HG22 1 1 11 5072 1 1 29 THR HG23 H 6.629 -3.995 0.911 1.00 . A A . 28 THR HG23 1 1 11 5073 1 1 29 THR N N 7.366 -0.182 -0.011 1.00 . A A . 28 THR N 1 1 11 5074 1 1 29 THR O O 5.388 -1.889 -1.027 1.00 . A A . 28 THR O 1 1 11 5075 1 1 29 THR OG1 O 8.465 -2.359 2.246 1.00 . A A . 28 THR OG1 1 1 11 5076 1 1 30 PRO C C 4.897 -4.966 -1.444 1.00 . A A . 29 PRO C 1 1 11 5077 1 1 30 PRO CA C 6.089 -4.344 -2.165 1.00 . A A . 29 PRO CA 1 1 11 5078 1 1 30 PRO CB C 7.052 -5.433 -2.644 1.00 . A A . 29 PRO CB 1 1 11 5079 1 1 30 PRO CD C 8.227 -4.142 -1.010 1.00 . A A . 29 PRO CD 1 1 11 5080 1 1 30 PRO CG C 8.077 -5.531 -1.567 1.00 . A A . 29 PRO CG 1 1 11 5081 1 1 30 PRO HA H 5.736 -3.775 -3.013 1.00 . A A . 29 PRO HA 1 1 11 5082 1 1 30 PRO HB2 H 6.516 -6.363 -2.766 1.00 . A A . 29 PRO HB2 1 1 11 5083 1 1 30 PRO HB3 H 7.494 -5.140 -3.584 1.00 . A A . 29 PRO HB3 1 1 11 5084 1 1 30 PRO HD2 H 8.429 -4.182 0.051 1.00 . A A . 29 PRO HD2 1 1 11 5085 1 1 30 PRO HD3 H 9.012 -3.611 -1.526 1.00 . A A . 29 PRO HD3 1 1 11 5086 1 1 30 PRO HG2 H 7.739 -6.209 -0.799 1.00 . A A . 29 PRO HG2 1 1 11 5087 1 1 30 PRO HG3 H 9.015 -5.870 -1.984 1.00 . A A . 29 PRO HG3 1 1 11 5088 1 1 30 PRO N N 6.916 -3.526 -1.274 1.00 . A A . 29 PRO N 1 1 11 5089 1 1 30 PRO O O 5.063 -5.827 -0.580 1.00 . A A . 29 PRO O 1 1 11 5090 1 1 31 LYS C C 2.454 -6.564 -1.224 1.00 . A A . 30 LYS C 1 1 11 5091 1 1 31 LYS CA C 2.478 -5.039 -1.191 1.00 . A A . 30 LYS CA 1 1 11 5092 1 1 31 LYS CB C 1.247 -4.483 -1.912 1.00 . A A . 30 LYS CB 1 1 11 5093 1 1 31 LYS CD C -1.107 -5.041 -2.588 1.00 . A A . 30 LYS CD 1 1 11 5094 1 1 31 LYS CE C -2.511 -5.034 -2.005 1.00 . A A . 30 LYS CE 1 1 11 5095 1 1 31 LYS CG C -0.053 -5.150 -1.498 1.00 . A A . 30 LYS CG 1 1 11 5096 1 1 31 LYS H H 3.629 -3.836 -2.497 1.00 . A A . 30 LYS H 1 1 11 5097 1 1 31 LYS HA H 2.460 -4.713 -0.162 1.00 . A A . 30 LYS HA 1 1 11 5098 1 1 31 LYS HB2 H 1.169 -3.426 -1.702 1.00 . A A . 30 LYS HB2 1 1 11 5099 1 1 31 LYS HB3 H 1.376 -4.620 -2.976 1.00 . A A . 30 LYS HB3 1 1 11 5100 1 1 31 LYS HD2 H -0.951 -4.124 -3.136 1.00 . A A . 30 LYS HD2 1 1 11 5101 1 1 31 LYS HD3 H -1.008 -5.884 -3.257 1.00 . A A . 30 LYS HD3 1 1 11 5102 1 1 31 LYS HE2 H -3.209 -5.309 -2.780 1.00 . A A . 30 LYS HE2 1 1 11 5103 1 1 31 LYS HE3 H -2.559 -5.757 -1.204 1.00 . A A . 30 LYS HE3 1 1 11 5104 1 1 31 LYS HG2 H 0.137 -6.194 -1.298 1.00 . A A . 30 LYS HG2 1 1 11 5105 1 1 31 LYS HG3 H -0.423 -4.671 -0.603 1.00 . A A . 30 LYS HG3 1 1 11 5106 1 1 31 LYS HZ1 H -3.367 -3.139 -2.206 1.00 . A A . 30 LYS HZ1 1 1 11 5107 1 1 31 LYS HZ2 H -2.031 -3.180 -1.170 1.00 . A A . 30 LYS HZ2 1 1 11 5108 1 1 31 LYS HZ3 H -3.519 -3.798 -0.655 1.00 . A A . 30 LYS HZ3 1 1 11 5109 1 1 31 LYS N N 3.697 -4.525 -1.802 1.00 . A A . 30 LYS N 1 1 11 5110 1 1 31 LYS NZ N -2.883 -3.694 -1.472 1.00 . A A . 30 LYS NZ 1 1 11 5111 1 1 31 LYS O O 2.904 -7.195 -2.180 1.00 . A A . 30 LYS O 1 1 11 5112 1 1 32 PRO C C 0.802 -9.221 -1.013 1.00 . A A . 31 PRO C 1 1 11 5113 1 1 32 PRO CA C 1.817 -8.629 -0.041 1.00 . A A . 31 PRO CA 1 1 11 5114 1 1 32 PRO CB C 1.360 -8.841 1.405 1.00 . A A . 31 PRO CB 1 1 11 5115 1 1 32 PRO CD C 1.359 -6.481 1.019 1.00 . A A . 31 PRO CD 1 1 11 5116 1 1 32 PRO CG C 0.655 -7.579 1.767 1.00 . A A . 31 PRO CG 1 1 11 5117 1 1 32 PRO HA H 2.776 -9.104 -0.190 1.00 . A A . 31 PRO HA 1 1 11 5118 1 1 32 PRO HB2 H 0.698 -9.694 1.454 1.00 . A A . 31 PRO HB2 1 1 11 5119 1 1 32 PRO HB3 H 2.219 -9.008 2.036 1.00 . A A . 31 PRO HB3 1 1 11 5120 1 1 32 PRO HD2 H 0.657 -5.717 0.723 1.00 . A A . 31 PRO HD2 1 1 11 5121 1 1 32 PRO HD3 H 2.147 -6.058 1.626 1.00 . A A . 31 PRO HD3 1 1 11 5122 1 1 32 PRO HG2 H -0.379 -7.637 1.463 1.00 . A A . 31 PRO HG2 1 1 11 5123 1 1 32 PRO HG3 H 0.725 -7.414 2.832 1.00 . A A . 31 PRO HG3 1 1 11 5124 1 1 32 PRO N N 1.915 -7.171 -0.156 1.00 . A A . 31 PRO N 1 1 11 5125 1 1 32 PRO O O 1.142 -9.452 -2.172 1.00 . A A . 31 PRO O 1 1 11 5126 2 2 1 ZN ZN ZN 6.550 0.760 4.609 1.00 . B A . 32 ZN ZN 1 1 12 5127 1 1 2 HIS C C -18.347 0.210 4.760 1.00 . A A . 1 HIS C 1 1 12 5128 1 1 2 HIS CA C -19.725 -0.110 5.328 1.00 . A A . 1 HIS CA 1 1 12 5129 1 1 2 HIS CB C -20.494 1.185 5.591 1.00 . A A . 1 HIS CB 1 1 12 5130 1 1 2 HIS CD2 C -22.649 -0.168 6.095 1.00 . A A . 1 HIS CD2 1 1 12 5131 1 1 2 HIS CE1 C -23.902 1.481 6.815 1.00 . A A . 1 HIS CE1 1 1 12 5132 1 1 2 HIS CG C -21.907 0.962 6.038 1.00 . A A . 1 HIS CG 1 1 12 5133 1 1 2 HIS H H -20.253 -0.736 7.280 1.00 . A A . 1 HIS H 1 1 12 5134 1 1 2 HIS HA H -20.270 -0.702 4.608 1.00 . A A . 1 HIS HA 1 1 12 5135 1 1 2 HIS HB2 H -19.988 1.746 6.362 1.00 . A A . 1 HIS HB2 1 1 12 5136 1 1 2 HIS HB3 H -20.521 1.771 4.684 1.00 . A A . 1 HIS HB3 1 1 12 5137 1 1 2 HIS HD1 H -22.469 2.921 6.574 1.00 . A A . 1 HIS HD1 1 1 12 5138 1 1 2 HIS HD2 H -22.331 -1.161 5.813 1.00 . A A . 1 HIS HD2 1 1 12 5139 1 1 2 HIS HE1 H -24.740 2.042 7.201 1.00 . A A . 1 HIS HE1 1 1 12 5140 1 1 2 HIS N N -19.614 -0.891 6.555 1.00 . A A . 1 HIS N 1 1 12 5141 1 1 2 HIS ND1 N -22.721 1.978 6.495 1.00 . A A . 1 HIS ND1 1 1 12 5142 1 1 2 HIS NE2 N -23.886 0.181 6.582 1.00 . A A . 1 HIS NE2 1 1 12 5143 1 1 2 HIS O O -18.007 -0.212 3.655 1.00 . A A . 1 HIS O 1 1 12 5144 1 1 3 MET C C -15.355 0.099 4.849 1.00 . A A . 2 MET C 1 1 12 5145 1 1 3 MET CA C -16.214 1.336 5.094 1.00 . A A . 2 MET CA 1 1 12 5146 1 1 3 MET CB C -15.554 2.232 6.144 1.00 . A A . 2 MET CB 1 1 12 5147 1 1 3 MET CE C -15.988 0.663 9.662 1.00 . A A . 2 MET CE 1 1 12 5148 1 1 3 MET CG C -14.866 1.458 7.256 1.00 . A A . 2 MET CG 1 1 12 5149 1 1 3 MET H H -17.884 1.266 6.394 1.00 . A A . 2 MET H 1 1 12 5150 1 1 3 MET HA H -16.304 1.886 4.169 1.00 . A A . 2 MET HA 1 1 12 5151 1 1 3 MET HB2 H -14.816 2.852 5.656 1.00 . A A . 2 MET HB2 1 1 12 5152 1 1 3 MET HB3 H -16.308 2.864 6.587 1.00 . A A . 2 MET HB3 1 1 12 5153 1 1 3 MET HE1 H -16.971 0.448 10.056 1.00 . A A . 2 MET HE1 1 1 12 5154 1 1 3 MET HE2 H -15.246 0.122 10.231 1.00 . A A . 2 MET HE2 1 1 12 5155 1 1 3 MET HE3 H -15.796 1.724 9.734 1.00 . A A . 2 MET HE3 1 1 12 5156 1 1 3 MET HG2 H -13.968 1.007 6.862 1.00 . A A . 2 MET HG2 1 1 12 5157 1 1 3 MET HG3 H -14.603 2.147 8.045 1.00 . A A . 2 MET HG3 1 1 12 5158 1 1 3 MET N N -17.557 0.959 5.522 1.00 . A A . 2 MET N 1 1 12 5159 1 1 3 MET O O -15.759 -1.021 5.163 1.00 . A A . 2 MET O 1 1 12 5160 1 1 3 MET SD S -15.908 0.158 7.946 1.00 . A A . 2 MET SD 1 1 12 5161 1 1 4 VAL C C -12.025 -0.727 4.903 1.00 . A A . 3 VAL C 1 1 12 5162 1 1 4 VAL CA C -13.253 -0.787 4.002 1.00 . A A . 3 VAL CA 1 1 12 5163 1 1 4 VAL CB C -12.798 -0.769 2.530 1.00 . A A . 3 VAL CB 1 1 12 5164 1 1 4 VAL CG1 C -13.993 -0.892 1.599 1.00 . A A . 3 VAL CG1 1 1 12 5165 1 1 4 VAL CG2 C -12.007 0.497 2.233 1.00 . A A . 3 VAL CG2 1 1 12 5166 1 1 4 VAL H H -13.904 1.225 4.060 1.00 . A A . 3 VAL H 1 1 12 5167 1 1 4 VAL HA H -13.776 -1.715 4.182 1.00 . A A . 3 VAL HA 1 1 12 5168 1 1 4 VAL HB H -12.151 -1.619 2.365 1.00 . A A . 3 VAL HB 1 1 12 5169 1 1 4 VAL HG11 H -14.296 0.091 1.271 1.00 . A A . 3 VAL HG11 1 1 12 5170 1 1 4 VAL HG12 H -13.723 -1.492 0.742 1.00 . A A . 3 VAL HG12 1 1 12 5171 1 1 4 VAL HG13 H -14.811 -1.363 2.124 1.00 . A A . 3 VAL HG13 1 1 12 5172 1 1 4 VAL HG21 H -12.127 0.758 1.192 1.00 . A A . 3 VAL HG21 1 1 12 5173 1 1 4 VAL HG22 H -12.374 1.304 2.851 1.00 . A A . 3 VAL HG22 1 1 12 5174 1 1 4 VAL HG23 H -10.962 0.328 2.445 1.00 . A A . 3 VAL HG23 1 1 12 5175 1 1 4 VAL N N -14.169 0.310 4.287 1.00 . A A . 3 VAL N 1 1 12 5176 1 1 4 VAL O O -11.099 0.044 4.656 1.00 . A A . 3 VAL O 1 1 12 5177 1 1 5 ILE C C -9.920 -2.684 6.516 1.00 . A A . 4 ILE C 1 1 12 5178 1 1 5 ILE CA C -10.912 -1.588 6.888 1.00 . A A . 4 ILE CA 1 1 12 5179 1 1 5 ILE CB C -11.398 -1.820 8.331 1.00 . A A . 4 ILE CB 1 1 12 5180 1 1 5 ILE CD1 C -12.920 -3.333 9.699 1.00 . A A . 4 ILE CD1 1 1 12 5181 1 1 5 ILE CG1 C -12.616 -2.748 8.338 1.00 . A A . 4 ILE CG1 1 1 12 5182 1 1 5 ILE CG2 C -11.733 -0.494 8.997 1.00 . A A . 4 ILE CG2 1 1 12 5183 1 1 5 ILE H H -12.795 -2.137 6.093 1.00 . A A . 4 ILE H 1 1 12 5184 1 1 5 ILE HA H -10.408 -0.632 6.848 1.00 . A A . 4 ILE HA 1 1 12 5185 1 1 5 ILE HB H -10.598 -2.283 8.887 1.00 . A A . 4 ILE HB 1 1 12 5186 1 1 5 ILE HD11 H -12.198 -2.973 10.417 1.00 . A A . 4 ILE HD11 1 1 12 5187 1 1 5 ILE HD12 H -13.911 -3.037 10.005 1.00 . A A . 4 ILE HD12 1 1 12 5188 1 1 5 ILE HD13 H -12.866 -4.412 9.647 1.00 . A A . 4 ILE HD13 1 1 12 5189 1 1 5 ILE HG12 H -13.483 -2.195 8.014 1.00 . A A . 4 ILE HG12 1 1 12 5190 1 1 5 ILE HG13 H -12.438 -3.567 7.655 1.00 . A A . 4 ILE HG13 1 1 12 5191 1 1 5 ILE HG21 H -12.332 0.105 8.327 1.00 . A A . 4 ILE HG21 1 1 12 5192 1 1 5 ILE HG22 H -12.285 -0.677 9.905 1.00 . A A . 4 ILE HG22 1 1 12 5193 1 1 5 ILE HG23 H -10.819 0.032 9.230 1.00 . A A . 4 ILE HG23 1 1 12 5194 1 1 5 ILE N N -12.027 -1.547 5.950 1.00 . A A . 4 ILE N 1 1 12 5195 1 1 5 ILE O O -9.583 -3.536 7.336 1.00 . A A . 4 ILE O 1 1 12 5196 1 1 6 GLY C C -7.076 -3.136 4.818 1.00 . A A . 5 GLY C 1 1 12 5197 1 1 6 GLY CA C -8.501 -3.649 4.811 1.00 . A A . 5 GLY CA 1 1 12 5198 1 1 6 GLY H H -9.756 -1.950 4.660 1.00 . A A . 5 GLY H 1 1 12 5199 1 1 6 GLY HA2 H -8.564 -4.515 5.453 1.00 . A A . 5 GLY HA2 1 1 12 5200 1 1 6 GLY HA3 H -8.762 -3.941 3.803 1.00 . A A . 5 GLY HA3 1 1 12 5201 1 1 6 GLY N N -9.452 -2.654 5.270 1.00 . A A . 5 GLY N 1 1 12 5202 1 1 6 GLY O O -6.128 -3.906 4.659 1.00 . A A . 5 GLY O 1 1 12 5203 1 1 7 THR C C -4.580 -2.122 5.699 1.00 . A A . 6 THR C 1 1 12 5204 1 1 7 THR CA C -5.600 -1.211 5.025 1.00 . A A . 6 THR CA 1 1 12 5205 1 1 7 THR CB C -5.625 0.143 5.759 1.00 . A A . 6 THR CB 1 1 12 5206 1 1 7 THR CG2 C -6.388 1.182 4.950 1.00 . A A . 6 THR CG2 1 1 12 5207 1 1 7 THR H H -7.714 -1.265 5.122 1.00 . A A . 6 THR H 1 1 12 5208 1 1 7 THR HA H -5.294 -1.038 4.004 1.00 . A A . 6 THR HA 1 1 12 5209 1 1 7 THR HB H -4.608 0.484 5.888 1.00 . A A . 6 THR HB 1 1 12 5210 1 1 7 THR HG1 H -5.617 -0.435 7.645 1.00 . A A . 6 THR HG1 1 1 12 5211 1 1 7 THR HG21 H -6.980 0.687 4.196 1.00 . A A . 6 THR HG21 1 1 12 5212 1 1 7 THR HG22 H -5.687 1.854 4.477 1.00 . A A . 6 THR HG22 1 1 12 5213 1 1 7 THR HG23 H -7.036 1.742 5.607 1.00 . A A . 6 THR HG23 1 1 12 5214 1 1 7 THR N N -6.920 -1.828 5.001 1.00 . A A . 6 THR N 1 1 12 5215 1 1 7 THR O O -4.842 -2.683 6.763 1.00 . A A . 6 THR O 1 1 12 5216 1 1 7 THR OG1 O -6.235 -0.008 7.046 1.00 . A A . 6 THR OG1 1 1 12 5217 1 1 8 TRP C C -1.257 -2.262 6.246 1.00 . A A . 7 TRP C 1 1 12 5218 1 1 8 TRP CA C -2.356 -3.107 5.615 1.00 . A A . 7 TRP CA 1 1 12 5219 1 1 8 TRP CB C -1.768 -3.991 4.513 1.00 . A A . 7 TRP CB 1 1 12 5220 1 1 8 TRP CD1 C -2.513 -2.827 2.355 1.00 . A A . 7 TRP CD1 1 1 12 5221 1 1 8 TRP CD2 C -0.293 -2.893 2.647 1.00 . A A . 7 TRP CD2 1 1 12 5222 1 1 8 TRP CE2 C -0.567 -2.232 1.433 1.00 . A A . 7 TRP CE2 1 1 12 5223 1 1 8 TRP CE3 C 1.038 -3.052 3.042 1.00 . A A . 7 TRP CE3 1 1 12 5224 1 1 8 TRP CG C -1.551 -3.264 3.221 1.00 . A A . 7 TRP CG 1 1 12 5225 1 1 8 TRP CH2 C 1.735 -1.903 1.025 1.00 . A A . 7 TRP CH2 1 1 12 5226 1 1 8 TRP CZ2 C 0.441 -1.734 0.613 1.00 . A A . 7 TRP CZ2 1 1 12 5227 1 1 8 TRP CZ3 C 2.038 -2.557 2.227 1.00 . A A . 7 TRP CZ3 1 1 12 5228 1 1 8 TRP H H -3.268 -1.791 4.228 1.00 . A A . 7 TRP H 1 1 12 5229 1 1 8 TRP HA H -2.792 -3.738 6.375 1.00 . A A . 7 TRP HA 1 1 12 5230 1 1 8 TRP HB2 H -0.816 -4.379 4.841 1.00 . A A . 7 TRP HB2 1 1 12 5231 1 1 8 TRP HB3 H -2.442 -4.815 4.325 1.00 . A A . 7 TRP HB3 1 1 12 5232 1 1 8 TRP HD1 H -3.573 -2.959 2.507 1.00 . A A . 7 TRP HD1 1 1 12 5233 1 1 8 TRP HE1 H -2.408 -1.807 0.522 1.00 . A A . 7 TRP HE1 1 1 12 5234 1 1 8 TRP HE3 H 1.290 -3.552 3.964 1.00 . A A . 7 TRP HE3 1 1 12 5235 1 1 8 TRP HH2 H 2.549 -1.534 0.419 1.00 . A A . 7 TRP HH2 1 1 12 5236 1 1 8 TRP HZ2 H 0.225 -1.227 -0.316 1.00 . A A . 7 TRP HZ2 1 1 12 5237 1 1 8 TRP HZ3 H 3.073 -2.671 2.515 1.00 . A A . 7 TRP HZ3 1 1 12 5238 1 1 8 TRP N N -3.417 -2.264 5.074 1.00 . A A . 7 TRP N 1 1 12 5239 1 1 8 TRP NE1 N -1.928 -2.206 1.278 1.00 . A A . 7 TRP NE1 1 1 12 5240 1 1 8 TRP O O -0.884 -1.215 5.715 1.00 . A A . 7 TRP O 1 1 12 5241 1 1 9 ASP C C 1.683 -2.605 7.765 1.00 . A A . 8 ASP C 1 1 12 5242 1 1 9 ASP CA C 0.317 -2.005 8.084 1.00 . A A . 8 ASP CA 1 1 12 5243 1 1 9 ASP CB C 0.071 -2.041 9.593 1.00 . A A . 8 ASP CB 1 1 12 5244 1 1 9 ASP CG C -1.405 -2.023 9.940 1.00 . A A . 8 ASP CG 1 1 12 5245 1 1 9 ASP H H -1.081 -3.561 7.755 1.00 . A A . 8 ASP H 1 1 12 5246 1 1 9 ASP HA H 0.302 -0.979 7.751 1.00 . A A . 8 ASP HA 1 1 12 5247 1 1 9 ASP HB2 H 0.506 -2.942 10.001 1.00 . A A . 8 ASP HB2 1 1 12 5248 1 1 9 ASP HB3 H 0.540 -1.181 10.048 1.00 . A A . 8 ASP HB3 1 1 12 5249 1 1 9 ASP N N -0.742 -2.720 7.381 1.00 . A A . 8 ASP N 1 1 12 5250 1 1 9 ASP O O 1.854 -3.825 7.769 1.00 . A A . 8 ASP O 1 1 12 5251 1 1 9 ASP OD1 O -2.203 -1.538 9.111 1.00 . A A . 8 ASP OD1 1 1 12 5252 1 1 9 ASP OD2 O -1.762 -2.495 11.040 1.00 . A A . 8 ASP OD2 1 1 12 5253 1 1 10 CYS C C 4.620 -2.945 8.333 1.00 . A A . 9 CYS C 1 1 12 5254 1 1 10 CYS CA C 4.003 -2.183 7.164 1.00 . A A . 9 CYS CA 1 1 12 5255 1 1 10 CYS CB C 4.883 -0.985 6.802 1.00 . A A . 9 CYS CB 1 1 12 5256 1 1 10 CYS H H 2.456 -0.779 7.500 1.00 . A A . 9 CYS H 1 1 12 5257 1 1 10 CYS HA H 3.942 -2.843 6.313 1.00 . A A . 9 CYS HA 1 1 12 5258 1 1 10 CYS HB2 H 4.272 -0.231 6.327 1.00 . A A . 9 CYS HB2 1 1 12 5259 1 1 10 CYS HB3 H 5.312 -0.576 7.705 1.00 . A A . 9 CYS HB3 1 1 12 5260 1 1 10 CYS N N 2.653 -1.740 7.488 1.00 . A A . 9 CYS N 1 1 12 5261 1 1 10 CYS O O 4.063 -2.977 9.430 1.00 . A A . 9 CYS O 1 1 12 5262 1 1 10 CYS SG S 6.252 -1.382 5.667 1.00 . A A . 9 CYS SG 1 1 12 5263 1 1 11 ASP C C 7.936 -3.916 9.200 1.00 . A A . 10 ASP C 1 1 12 5264 1 1 11 ASP CA C 6.468 -4.320 9.121 1.00 . A A . 10 ASP CA 1 1 12 5265 1 1 11 ASP CB C 6.352 -5.820 8.844 1.00 . A A . 10 ASP CB 1 1 12 5266 1 1 11 ASP CG C 6.452 -6.652 10.107 1.00 . A A . 10 ASP CG 1 1 12 5267 1 1 11 ASP H H 6.168 -3.497 7.195 1.00 . A A . 10 ASP H 1 1 12 5268 1 1 11 ASP HA H 5.997 -4.102 10.068 1.00 . A A . 10 ASP HA 1 1 12 5269 1 1 11 ASP HB2 H 5.399 -6.020 8.377 1.00 . A A . 10 ASP HB2 1 1 12 5270 1 1 11 ASP HB3 H 7.146 -6.116 8.174 1.00 . A A . 10 ASP HB3 1 1 12 5271 1 1 11 ASP N N 5.774 -3.559 8.089 1.00 . A A . 10 ASP N 1 1 12 5272 1 1 11 ASP O O 8.721 -4.522 9.931 1.00 . A A . 10 ASP O 1 1 12 5273 1 1 11 ASP OD1 O 6.250 -6.091 11.203 1.00 . A A . 10 ASP OD1 1 1 12 5274 1 1 11 ASP OD2 O 6.732 -7.864 9.998 1.00 . A A . 10 ASP OD2 1 1 12 5275 1 1 12 THR C C 9.742 -0.918 8.756 1.00 . A A . 11 THR C 1 1 12 5276 1 1 12 THR CA C 9.678 -2.404 8.422 1.00 . A A . 11 THR CA 1 1 12 5277 1 1 12 THR CB C 10.338 -2.639 7.049 1.00 . A A . 11 THR CB 1 1 12 5278 1 1 12 THR CG2 C 11.547 -1.735 6.869 1.00 . A A . 11 THR CG2 1 1 12 5279 1 1 12 THR H H 7.632 -2.447 7.879 1.00 . A A . 11 THR H 1 1 12 5280 1 1 12 THR HA H 10.237 -2.955 9.165 1.00 . A A . 11 THR HA 1 1 12 5281 1 1 12 THR HB H 9.617 -2.411 6.277 1.00 . A A . 11 THR HB 1 1 12 5282 1 1 12 THR HG1 H 11.283 -4.113 6.142 1.00 . A A . 11 THR HG1 1 1 12 5283 1 1 12 THR HG21 H 12.045 -1.980 5.941 1.00 . A A . 11 THR HG21 1 1 12 5284 1 1 12 THR HG22 H 12.230 -1.877 7.693 1.00 . A A . 11 THR HG22 1 1 12 5285 1 1 12 THR HG23 H 11.225 -0.705 6.841 1.00 . A A . 11 THR HG23 1 1 12 5286 1 1 12 THR N N 8.303 -2.888 8.440 1.00 . A A . 11 THR N 1 1 12 5287 1 1 12 THR O O 10.383 -0.517 9.728 1.00 . A A . 11 THR O 1 1 12 5288 1 1 12 THR OG1 O 10.737 -4.008 6.925 1.00 . A A . 11 THR OG1 1 1 12 5289 1 1 13 CYS C C 7.933 1.734 9.108 1.00 . A A . 12 CYS C 1 1 12 5290 1 1 13 CYS CA C 9.056 1.338 8.155 1.00 . A A . 12 CYS CA 1 1 12 5291 1 1 13 CYS CB C 8.887 2.066 6.820 1.00 . A A . 12 CYS CB 1 1 12 5292 1 1 13 CYS H H 8.583 -0.484 7.186 1.00 . A A . 12 CYS H 1 1 12 5293 1 1 13 CYS HA H 10.000 1.623 8.592 1.00 . A A . 12 CYS HA 1 1 12 5294 1 1 13 CYS HB2 H 9.384 3.024 6.875 1.00 . A A . 12 CYS HB2 1 1 12 5295 1 1 13 CYS HB3 H 9.338 1.476 6.037 1.00 . A A . 12 CYS HB3 1 1 12 5296 1 1 13 CYS N N 9.075 -0.105 7.946 1.00 . A A . 12 CYS N 1 1 12 5297 1 1 13 CYS O O 7.957 2.815 9.700 1.00 . A A . 12 CYS O 1 1 12 5298 1 1 13 CYS SG S 7.152 2.371 6.354 1.00 . A A . 12 CYS SG 1 1 12 5299 1 1 14 LEU C C 4.901 2.179 9.550 1.00 . A A . 13 LEU C 1 1 12 5300 1 1 14 LEU CA C 5.816 1.109 10.137 1.00 . A A . 13 LEU CA 1 1 12 5301 1 1 14 LEU CB C 6.309 1.545 11.518 1.00 . A A . 13 LEU CB 1 1 12 5302 1 1 14 LEU CD1 C 7.895 1.309 13.445 1.00 . A A . 13 LEU CD1 1 1 12 5303 1 1 14 LEU CD2 C 7.364 -0.674 12.016 1.00 . A A . 13 LEU CD2 1 1 12 5304 1 1 14 LEU CG C 7.559 0.836 12.040 1.00 . A A . 13 LEU CG 1 1 12 5305 1 1 14 LEU H H 6.985 0.009 8.758 1.00 . A A . 13 LEU H 1 1 12 5306 1 1 14 LEU HA H 5.259 0.190 10.236 1.00 . A A . 13 LEU HA 1 1 12 5307 1 1 14 LEU HB2 H 6.524 2.602 11.474 1.00 . A A . 13 LEU HB2 1 1 12 5308 1 1 14 LEU HB3 H 5.510 1.370 12.224 1.00 . A A . 13 LEU HB3 1 1 12 5309 1 1 14 LEU HD11 H 7.115 1.967 13.799 1.00 . A A . 13 LEU HD11 1 1 12 5310 1 1 14 LEU HD12 H 8.835 1.840 13.431 1.00 . A A . 13 LEU HD12 1 1 12 5311 1 1 14 LEU HD13 H 7.973 0.457 14.103 1.00 . A A . 13 LEU HD13 1 1 12 5312 1 1 14 LEU HD21 H 6.999 -1.004 12.977 1.00 . A A . 13 LEU HD21 1 1 12 5313 1 1 14 LEU HD22 H 8.308 -1.155 11.804 1.00 . A A . 13 LEU HD22 1 1 12 5314 1 1 14 LEU HD23 H 6.648 -0.933 11.251 1.00 . A A . 13 LEU HD23 1 1 12 5315 1 1 14 LEU HG H 8.396 1.076 11.398 1.00 . A A . 13 LEU HG 1 1 12 5316 1 1 14 LEU N N 6.950 0.853 9.254 1.00 . A A . 13 LEU N 1 1 12 5317 1 1 14 LEU O O 4.891 3.322 10.007 1.00 . A A . 13 LEU O 1 1 12 5318 1 1 15 VAL C C 2.003 1.986 7.314 1.00 . A A . 14 VAL C 1 1 12 5319 1 1 15 VAL CA C 3.207 2.724 7.889 1.00 . A A . 14 VAL CA 1 1 12 5320 1 1 15 VAL CB C 3.901 3.510 6.762 1.00 . A A . 14 VAL CB 1 1 12 5321 1 1 15 VAL CG1 C 2.893 4.369 6.011 1.00 . A A . 14 VAL CG1 1 1 12 5322 1 1 15 VAL CG2 C 5.027 4.365 7.323 1.00 . A A . 14 VAL CG2 1 1 12 5323 1 1 15 VAL H H 4.181 0.874 8.217 1.00 . A A . 14 VAL H 1 1 12 5324 1 1 15 VAL HA H 2.864 3.429 8.633 1.00 . A A . 14 VAL HA 1 1 12 5325 1 1 15 VAL HB H 4.326 2.803 6.065 1.00 . A A . 14 VAL HB 1 1 12 5326 1 1 15 VAL HG11 H 3.397 5.220 5.579 1.00 . A A . 14 VAL HG11 1 1 12 5327 1 1 15 VAL HG12 H 2.433 3.784 5.228 1.00 . A A . 14 VAL HG12 1 1 12 5328 1 1 15 VAL HG13 H 2.132 4.712 6.697 1.00 . A A . 14 VAL HG13 1 1 12 5329 1 1 15 VAL HG21 H 5.641 3.764 7.976 1.00 . A A . 14 VAL HG21 1 1 12 5330 1 1 15 VAL HG22 H 5.630 4.746 6.511 1.00 . A A . 14 VAL HG22 1 1 12 5331 1 1 15 VAL HG23 H 4.611 5.191 7.879 1.00 . A A . 14 VAL HG23 1 1 12 5332 1 1 15 VAL N N 4.130 1.799 8.537 1.00 . A A . 14 VAL N 1 1 12 5333 1 1 15 VAL O O 2.151 0.969 6.638 1.00 . A A . 14 VAL O 1 1 12 5334 1 1 16 GLN C C -0.711 2.337 5.665 1.00 . A A . 15 GLN C 1 1 12 5335 1 1 16 GLN CA C -0.420 1.899 7.096 1.00 . A A . 15 GLN CA 1 1 12 5336 1 1 16 GLN CB C -1.594 2.268 8.004 1.00 . A A . 15 GLN CB 1 1 12 5337 1 1 16 GLN CD C -0.275 2.130 10.155 1.00 . A A . 15 GLN CD 1 1 12 5338 1 1 16 GLN CG C -1.502 1.662 9.395 1.00 . A A . 15 GLN CG 1 1 12 5339 1 1 16 GLN H H 0.758 3.321 8.130 1.00 . A A . 15 GLN H 1 1 12 5340 1 1 16 GLN HA H -0.288 0.827 7.111 1.00 . A A . 15 GLN HA 1 1 12 5341 1 1 16 GLN HB2 H -1.633 3.342 8.104 1.00 . A A . 15 GLN HB2 1 1 12 5342 1 1 16 GLN HB3 H -2.509 1.924 7.546 1.00 . A A . 15 GLN HB3 1 1 12 5343 1 1 16 GLN HE21 H -1.375 3.442 11.166 1.00 . A A . 15 GLN HE21 1 1 12 5344 1 1 16 GLN HE22 H 0.308 3.414 11.554 1.00 . A A . 15 GLN HE22 1 1 12 5345 1 1 16 GLN HG2 H -2.381 1.942 9.955 1.00 . A A . 15 GLN HG2 1 1 12 5346 1 1 16 GLN HG3 H -1.460 0.587 9.303 1.00 . A A . 15 GLN HG3 1 1 12 5347 1 1 16 GLN N N 0.811 2.509 7.587 1.00 . A A . 15 GLN N 1 1 12 5348 1 1 16 GLN NE2 N -0.466 3.094 11.048 1.00 . A A . 15 GLN NE2 1 1 12 5349 1 1 16 GLN O O -0.356 3.443 5.259 1.00 . A A . 15 GLN O 1 1 12 5350 1 1 16 GLN OE1 O 0.829 1.631 9.942 1.00 . A A . 15 GLN OE1 1 1 12 5351 1 1 17 ASN C C -3.008 1.086 3.119 1.00 . A A . 16 ASN C 1 1 12 5352 1 1 17 ASN CA C -1.696 1.758 3.516 1.00 . A A . 16 ASN CA 1 1 12 5353 1 1 17 ASN CB C -0.572 1.297 2.584 1.00 . A A . 16 ASN CB 1 1 12 5354 1 1 17 ASN CG C 0.788 1.351 3.251 1.00 . A A . 16 ASN CG 1 1 12 5355 1 1 17 ASN H H -1.614 0.594 5.282 1.00 . A A . 16 ASN H 1 1 12 5356 1 1 17 ASN HA H -1.811 2.827 3.424 1.00 . A A . 16 ASN HA 1 1 12 5357 1 1 17 ASN HB2 H -0.762 0.277 2.280 1.00 . A A . 16 ASN HB2 1 1 12 5358 1 1 17 ASN HB3 H -0.552 1.932 1.712 1.00 . A A . 16 ASN HB3 1 1 12 5359 1 1 17 ASN HD21 H 0.278 -0.132 4.473 1.00 . A A . 16 ASN HD21 1 1 12 5360 1 1 17 ASN HD22 H 1.872 0.500 4.683 1.00 . A A . 16 ASN HD22 1 1 12 5361 1 1 17 ASN N N -1.358 1.462 4.902 1.00 . A A . 16 ASN N 1 1 12 5362 1 1 17 ASN ND2 N 1.001 0.486 4.235 1.00 . A A . 16 ASN ND2 1 1 12 5363 1 1 17 ASN O O -3.446 0.128 3.758 1.00 . A A . 16 ASN O 1 1 12 5364 1 1 17 ASN OD1 O 1.639 2.162 2.885 1.00 . A A . 16 ASN OD1 1 1 12 5365 1 1 18 LYS C C -4.656 -0.242 0.789 1.00 . A A . 17 LYS C 1 1 12 5366 1 1 18 LYS CA C -4.890 1.042 1.577 1.00 . A A . 17 LYS CA 1 1 12 5367 1 1 18 LYS CB C -5.614 2.066 0.699 1.00 . A A . 17 LYS CB 1 1 12 5368 1 1 18 LYS CD C -5.985 2.942 -1.625 1.00 . A A . 17 LYS CD 1 1 12 5369 1 1 18 LYS CE C -6.097 4.397 -1.196 1.00 . A A . 17 LYS CE 1 1 12 5370 1 1 18 LYS CG C -5.056 2.162 -0.710 1.00 . A A . 17 LYS CG 1 1 12 5371 1 1 18 LYS H H -3.231 2.357 1.593 1.00 . A A . 17 LYS H 1 1 12 5372 1 1 18 LYS HA H -5.506 0.817 2.434 1.00 . A A . 17 LYS HA 1 1 12 5373 1 1 18 LYS HB2 H -6.657 1.793 0.634 1.00 . A A . 17 LYS HB2 1 1 12 5374 1 1 18 LYS HB3 H -5.535 3.039 1.163 1.00 . A A . 17 LYS HB3 1 1 12 5375 1 1 18 LYS HD2 H -5.599 2.906 -2.633 1.00 . A A . 17 LYS HD2 1 1 12 5376 1 1 18 LYS HD3 H -6.966 2.491 -1.598 1.00 . A A . 17 LYS HD3 1 1 12 5377 1 1 18 LYS HE2 H -6.587 4.439 -0.235 1.00 . A A . 17 LYS HE2 1 1 12 5378 1 1 18 LYS HE3 H -5.104 4.812 -1.112 1.00 . A A . 17 LYS HE3 1 1 12 5379 1 1 18 LYS HG2 H -4.099 2.661 -0.675 1.00 . A A . 17 LYS HG2 1 1 12 5380 1 1 18 LYS HG3 H -4.930 1.165 -1.106 1.00 . A A . 17 LYS HG3 1 1 12 5381 1 1 18 LYS HZ1 H -7.890 5.183 -1.927 1.00 . A A . 17 LYS HZ1 1 1 12 5382 1 1 18 LYS HZ2 H -6.760 4.821 -3.131 1.00 . A A . 17 LYS HZ2 1 1 12 5383 1 1 18 LYS HZ3 H -6.553 6.192 -2.163 1.00 . A A . 17 LYS HZ3 1 1 12 5384 1 1 18 LYS N N -3.630 1.593 2.060 1.00 . A A . 17 LYS N 1 1 12 5385 1 1 18 LYS NZ N -6.879 5.205 -2.172 1.00 . A A . 17 LYS NZ 1 1 12 5386 1 1 18 LYS O O -3.617 -0.428 0.153 1.00 . A A . 17 LYS O 1 1 12 5387 1 1 19 PRO C C -5.647 -2.266 -1.392 1.00 . A A . 18 PRO C 1 1 12 5388 1 1 19 PRO CA C -5.566 -2.432 0.122 1.00 . A A . 18 PRO CA 1 1 12 5389 1 1 19 PRO CB C -6.786 -3.197 0.642 1.00 . A A . 18 PRO CB 1 1 12 5390 1 1 19 PRO CD C -6.908 -0.995 1.565 1.00 . A A . 18 PRO CD 1 1 12 5391 1 1 19 PRO CG C -7.746 -2.138 1.062 1.00 . A A . 18 PRO CG 1 1 12 5392 1 1 19 PRO HA H -4.666 -2.973 0.376 1.00 . A A . 18 PRO HA 1 1 12 5393 1 1 19 PRO HB2 H -7.195 -3.810 -0.149 1.00 . A A . 18 PRO HB2 1 1 12 5394 1 1 19 PRO HB3 H -6.497 -3.820 1.475 1.00 . A A . 18 PRO HB3 1 1 12 5395 1 1 19 PRO HD2 H -7.376 -0.051 1.331 1.00 . A A . 18 PRO HD2 1 1 12 5396 1 1 19 PRO HD3 H -6.746 -1.085 2.630 1.00 . A A . 18 PRO HD3 1 1 12 5397 1 1 19 PRO HG2 H -8.339 -1.824 0.217 1.00 . A A . 18 PRO HG2 1 1 12 5398 1 1 19 PRO HG3 H -8.381 -2.510 1.851 1.00 . A A . 18 PRO HG3 1 1 12 5399 1 1 19 PRO N N -5.641 -1.150 0.828 1.00 . A A . 18 PRO N 1 1 12 5400 1 1 19 PRO O O -5.428 -3.217 -2.142 1.00 . A A . 18 PRO O 1 1 12 5401 1 1 20 GLU C C -4.721 -0.363 -3.839 1.00 . A A . 19 GLU C 1 1 12 5402 1 1 20 GLU CA C -6.075 -0.764 -3.258 1.00 . A A . 19 GLU CA 1 1 12 5403 1 1 20 GLU CB C -7.094 0.352 -3.497 1.00 . A A . 19 GLU CB 1 1 12 5404 1 1 20 GLU CD C -9.040 -0.989 -2.606 1.00 . A A . 19 GLU CD 1 1 12 5405 1 1 20 GLU CG C -8.272 0.316 -2.538 1.00 . A A . 19 GLU CG 1 1 12 5406 1 1 20 GLU H H -6.128 -0.336 -1.186 1.00 . A A . 19 GLU H 1 1 12 5407 1 1 20 GLU HA H -6.414 -1.661 -3.753 1.00 . A A . 19 GLU HA 1 1 12 5408 1 1 20 GLU HB2 H -6.598 1.306 -3.391 1.00 . A A . 19 GLU HB2 1 1 12 5409 1 1 20 GLU HB3 H -7.474 0.265 -4.505 1.00 . A A . 19 GLU HB3 1 1 12 5410 1 1 20 GLU HG2 H -7.904 0.447 -1.532 1.00 . A A . 19 GLU HG2 1 1 12 5411 1 1 20 GLU HG3 H -8.943 1.125 -2.782 1.00 . A A . 19 GLU HG3 1 1 12 5412 1 1 20 GLU N N -5.964 -1.053 -1.834 1.00 . A A . 19 GLU N 1 1 12 5413 1 1 20 GLU O O -4.576 -0.206 -5.051 1.00 . A A . 19 GLU O 1 1 12 5414 1 1 20 GLU OE1 O -8.771 -1.789 -3.526 1.00 . A A . 19 GLU OE1 1 1 12 5415 1 1 20 GLU OE2 O -9.911 -1.210 -1.739 1.00 . A A . 19 GLU OE2 1 1 12 5416 1 1 21 ALA C C -1.571 -1.046 -3.775 1.00 . A A . 20 ALA C 1 1 12 5417 1 1 21 ALA CA C -2.391 0.179 -3.389 1.00 . A A . 20 ALA CA 1 1 12 5418 1 1 21 ALA CB C -1.691 0.960 -2.288 1.00 . A A . 20 ALA CB 1 1 12 5419 1 1 21 ALA H H -3.912 -0.341 -2.011 1.00 . A A . 20 ALA H 1 1 12 5420 1 1 21 ALA HA H -2.485 0.823 -4.251 1.00 . A A . 20 ALA HA 1 1 12 5421 1 1 21 ALA HB1 H -1.560 0.325 -1.424 1.00 . A A . 20 ALA HB1 1 1 12 5422 1 1 21 ALA HB2 H -0.726 1.293 -2.640 1.00 . A A . 20 ALA HB2 1 1 12 5423 1 1 21 ALA HB3 H -2.291 1.816 -2.017 1.00 . A A . 20 ALA HB3 1 1 12 5424 1 1 21 ALA N N -3.733 -0.201 -2.964 1.00 . A A . 20 ALA N 1 1 12 5425 1 1 21 ALA O O -1.988 -2.182 -3.546 1.00 . A A . 20 ALA O 1 1 12 5426 1 1 22 ILE C C 1.720 -1.964 -3.899 1.00 . A A . 21 ILE C 1 1 12 5427 1 1 22 ILE CA C 0.477 -1.894 -4.779 1.00 . A A . 21 ILE CA 1 1 12 5428 1 1 22 ILE CB C 0.909 -1.735 -6.249 1.00 . A A . 21 ILE CB 1 1 12 5429 1 1 22 ILE CD1 C 1.632 -4.175 -6.324 1.00 . A A . 21 ILE CD1 1 1 12 5430 1 1 22 ILE CG1 C 2.016 -2.736 -6.589 1.00 . A A . 21 ILE CG1 1 1 12 5431 1 1 22 ILE CG2 C 1.376 -0.311 -6.512 1.00 . A A . 21 ILE CG2 1 1 12 5432 1 1 22 ILE H H -0.124 0.117 -4.517 1.00 . A A . 21 ILE H 1 1 12 5433 1 1 22 ILE HA H -0.071 -2.822 -4.684 1.00 . A A . 21 ILE HA 1 1 12 5434 1 1 22 ILE HB H 0.053 -1.929 -6.876 1.00 . A A . 21 ILE HB 1 1 12 5435 1 1 22 ILE HD11 H 0.918 -4.499 -7.067 1.00 . A A . 21 ILE HD11 1 1 12 5436 1 1 22 ILE HD12 H 2.511 -4.797 -6.372 1.00 . A A . 21 ILE HD12 1 1 12 5437 1 1 22 ILE HD13 H 1.187 -4.254 -5.342 1.00 . A A . 21 ILE HD13 1 1 12 5438 1 1 22 ILE HG12 H 2.264 -2.647 -7.635 1.00 . A A . 21 ILE HG12 1 1 12 5439 1 1 22 ILE HG13 H 2.889 -2.510 -5.994 1.00 . A A . 21 ILE HG13 1 1 12 5440 1 1 22 ILE HG21 H 1.486 0.210 -5.572 1.00 . A A . 21 ILE HG21 1 1 12 5441 1 1 22 ILE HG22 H 2.326 -0.333 -7.024 1.00 . A A . 21 ILE HG22 1 1 12 5442 1 1 22 ILE HG23 H 0.648 0.199 -7.124 1.00 . A A . 21 ILE HG23 1 1 12 5443 1 1 22 ILE N N -0.402 -0.810 -4.362 1.00 . A A . 21 ILE N 1 1 12 5444 1 1 22 ILE O O 2.427 -2.972 -3.883 1.00 . A A . 21 ILE O 1 1 12 5445 1 1 23 LYS C C 2.942 0.238 -1.205 1.00 . A A . 22 LYS C 1 1 12 5446 1 1 23 LYS CA C 3.137 -0.824 -2.281 1.00 . A A . 22 LYS CA 1 1 12 5447 1 1 23 LYS CB C 4.405 -0.525 -3.084 1.00 . A A . 22 LYS CB 1 1 12 5448 1 1 23 LYS CD C 4.395 1.931 -3.613 1.00 . A A . 22 LYS CD 1 1 12 5449 1 1 23 LYS CE C 4.277 2.979 -4.709 1.00 . A A . 22 LYS CE 1 1 12 5450 1 1 23 LYS CG C 4.208 0.527 -4.162 1.00 . A A . 22 LYS CG 1 1 12 5451 1 1 23 LYS H H 1.380 -0.114 -3.222 1.00 . A A . 22 LYS H 1 1 12 5452 1 1 23 LYS HA H 3.242 -1.787 -1.805 1.00 . A A . 22 LYS HA 1 1 12 5453 1 1 23 LYS HB2 H 5.171 -0.177 -2.407 1.00 . A A . 22 LYS HB2 1 1 12 5454 1 1 23 LYS HB3 H 4.741 -1.436 -3.557 1.00 . A A . 22 LYS HB3 1 1 12 5455 1 1 23 LYS HD2 H 3.639 2.120 -2.866 1.00 . A A . 22 LYS HD2 1 1 12 5456 1 1 23 LYS HD3 H 5.376 2.004 -3.162 1.00 . A A . 22 LYS HD3 1 1 12 5457 1 1 23 LYS HE2 H 4.660 3.917 -4.335 1.00 . A A . 22 LYS HE2 1 1 12 5458 1 1 23 LYS HE3 H 4.865 2.662 -5.557 1.00 . A A . 22 LYS HE3 1 1 12 5459 1 1 23 LYS HG2 H 4.927 0.361 -4.950 1.00 . A A . 22 LYS HG2 1 1 12 5460 1 1 23 LYS HG3 H 3.207 0.437 -4.561 1.00 . A A . 22 LYS HG3 1 1 12 5461 1 1 23 LYS HZ1 H 2.459 4.007 -4.677 1.00 . A A . 22 LYS HZ1 1 1 12 5462 1 1 23 LYS HZ2 H 2.298 2.337 -4.889 1.00 . A A . 22 LYS HZ2 1 1 12 5463 1 1 23 LYS HZ3 H 2.823 3.305 -6.172 1.00 . A A . 22 LYS HZ3 1 1 12 5464 1 1 23 LYS N N 1.981 -0.887 -3.167 1.00 . A A . 22 LYS N 1 1 12 5465 1 1 23 LYS NZ N 2.865 3.170 -5.143 1.00 . A A . 22 LYS NZ 1 1 12 5466 1 1 23 LYS O O 2.017 1.048 -1.279 1.00 . A A . 22 LYS O 1 1 12 5467 1 1 24 CYS C C 3.738 2.622 0.351 1.00 . A A . 23 CYS C 1 1 12 5468 1 1 24 CYS CA C 3.743 1.194 0.886 1.00 . A A . 23 CYS CA 1 1 12 5469 1 1 24 CYS CB C 4.917 1.001 1.847 1.00 . A A . 23 CYS CB 1 1 12 5470 1 1 24 CYS H H 4.533 -0.441 -0.202 1.00 . A A . 23 CYS H 1 1 12 5471 1 1 24 CYS HA H 2.820 1.020 1.420 1.00 . A A . 23 CYS HA 1 1 12 5472 1 1 24 CYS HB2 H 5.212 -0.039 1.837 1.00 . A A . 23 CYS HB2 1 1 12 5473 1 1 24 CYS HB3 H 5.746 1.608 1.515 1.00 . A A . 23 CYS HB3 1 1 12 5474 1 1 24 CYS N N 3.818 0.231 -0.205 1.00 . A A . 23 CYS N 1 1 12 5475 1 1 24 CYS O O 4.138 2.873 -0.787 1.00 . A A . 23 CYS O 1 1 12 5476 1 1 24 CYS SG S 4.550 1.456 3.571 1.00 . A A . 23 CYS SG 1 1 12 5477 1 1 25 VAL C C 4.248 5.787 1.567 1.00 . A A . 24 VAL C 1 1 12 5478 1 1 25 VAL CA C 3.228 4.961 0.791 1.00 . A A . 24 VAL CA 1 1 12 5479 1 1 25 VAL CB C 1.824 5.553 1.020 1.00 . A A . 24 VAL CB 1 1 12 5480 1 1 25 VAL CG1 C 1.645 5.954 2.477 1.00 . A A . 24 VAL CG1 1 1 12 5481 1 1 25 VAL CG2 C 1.589 6.740 0.099 1.00 . A A . 24 VAL CG2 1 1 12 5482 1 1 25 VAL H H 2.978 3.297 2.073 1.00 . A A . 24 VAL H 1 1 12 5483 1 1 25 VAL HA H 3.454 5.026 -0.264 1.00 . A A . 24 VAL HA 1 1 12 5484 1 1 25 VAL HB H 1.093 4.792 0.787 1.00 . A A . 24 VAL HB 1 1 12 5485 1 1 25 VAL HG11 H 2.212 5.284 3.107 1.00 . A A . 24 VAL HG11 1 1 12 5486 1 1 25 VAL HG12 H 1.995 6.967 2.617 1.00 . A A . 24 VAL HG12 1 1 12 5487 1 1 25 VAL HG13 H 0.599 5.895 2.740 1.00 . A A . 24 VAL HG13 1 1 12 5488 1 1 25 VAL HG21 H 2.431 7.412 0.157 1.00 . A A . 24 VAL HG21 1 1 12 5489 1 1 25 VAL HG22 H 1.477 6.391 -0.918 1.00 . A A . 24 VAL HG22 1 1 12 5490 1 1 25 VAL HG23 H 0.691 7.259 0.401 1.00 . A A . 24 VAL HG23 1 1 12 5491 1 1 25 VAL N N 3.283 3.558 1.179 1.00 . A A . 24 VAL N 1 1 12 5492 1 1 25 VAL O O 4.106 7.003 1.699 1.00 . A A . 24 VAL O 1 1 12 5493 1 1 26 ALA C C 7.696 5.218 2.507 1.00 . A A . 25 ALA C 1 1 12 5494 1 1 26 ALA CA C 6.322 5.791 2.839 1.00 . A A . 25 ALA CA 1 1 12 5495 1 1 26 ALA CB C 6.046 5.676 4.330 1.00 . A A . 25 ALA CB 1 1 12 5496 1 1 26 ALA H H 5.334 4.150 1.938 1.00 . A A . 25 ALA H 1 1 12 5497 1 1 26 ALA HA H 6.306 6.838 2.574 1.00 . A A . 25 ALA HA 1 1 12 5498 1 1 26 ALA HB1 H 5.626 6.603 4.691 1.00 . A A . 25 ALA HB1 1 1 12 5499 1 1 26 ALA HB2 H 5.348 4.871 4.506 1.00 . A A . 25 ALA HB2 1 1 12 5500 1 1 26 ALA HB3 H 6.970 5.472 4.852 1.00 . A A . 25 ALA HB3 1 1 12 5501 1 1 26 ALA N N 5.276 5.119 2.077 1.00 . A A . 25 ALA N 1 1 12 5502 1 1 26 ALA O O 8.655 5.961 2.297 1.00 . A A . 25 ALA O 1 1 12 5503 1 1 27 CYS C C 8.995 2.582 0.772 1.00 . A A . 26 CYS C 1 1 12 5504 1 1 27 CYS CA C 9.042 3.221 2.157 1.00 . A A . 26 CYS CA 1 1 12 5505 1 1 27 CYS CB C 9.343 2.155 3.212 1.00 . A A . 26 CYS CB 1 1 12 5506 1 1 27 CYS H H 6.985 3.354 2.638 1.00 . A A . 26 CYS H 1 1 12 5507 1 1 27 CYS HA H 9.827 3.962 2.172 1.00 . A A . 26 CYS HA 1 1 12 5508 1 1 27 CYS HB2 H 10.384 1.874 3.143 1.00 . A A . 26 CYS HB2 1 1 12 5509 1 1 27 CYS HB3 H 9.152 2.566 4.192 1.00 . A A . 26 CYS HB3 1 1 12 5510 1 1 27 CYS N N 7.785 3.894 2.462 1.00 . A A . 26 CYS N 1 1 12 5511 1 1 27 CYS O O 10.024 2.189 0.224 1.00 . A A . 26 CYS O 1 1 12 5512 1 1 27 CYS SG S 8.350 0.638 3.043 1.00 . A A . 26 CYS SG 1 1 12 5513 1 1 28 GLU C C 7.834 0.380 -1.062 1.00 . A A . 27 GLU C 1 1 12 5514 1 1 28 GLU CA C 7.612 1.889 -1.107 1.00 . A A . 27 GLU CA 1 1 12 5515 1 1 28 GLU CB C 8.573 2.528 -2.112 1.00 . A A . 27 GLU CB 1 1 12 5516 1 1 28 GLU CD C 10.088 4.528 -2.399 1.00 . A A . 27 GLU CD 1 1 12 5517 1 1 28 GLU CG C 8.735 4.027 -1.931 1.00 . A A . 27 GLU CG 1 1 12 5518 1 1 28 GLU H H 7.009 2.812 0.700 1.00 . A A . 27 GLU H 1 1 12 5519 1 1 28 GLU HA H 6.598 2.082 -1.421 1.00 . A A . 27 GLU HA 1 1 12 5520 1 1 28 GLU HB2 H 9.544 2.065 -2.009 1.00 . A A . 27 GLU HB2 1 1 12 5521 1 1 28 GLU HB3 H 8.203 2.346 -3.110 1.00 . A A . 27 GLU HB3 1 1 12 5522 1 1 28 GLU HG2 H 7.967 4.531 -2.498 1.00 . A A . 27 GLU HG2 1 1 12 5523 1 1 28 GLU HG3 H 8.623 4.265 -0.883 1.00 . A A . 27 GLU HG3 1 1 12 5524 1 1 28 GLU N N 7.793 2.482 0.213 1.00 . A A . 27 GLU N 1 1 12 5525 1 1 28 GLU O O 8.527 -0.182 -1.910 1.00 . A A . 27 GLU O 1 1 12 5526 1 1 28 GLU OE1 O 11.103 4.179 -1.761 1.00 . A A . 27 GLU OE1 1 1 12 5527 1 1 28 GLU OE2 O 10.132 5.270 -3.403 1.00 . A A . 27 GLU OE2 1 1 12 5528 1 1 29 THR C C 6.435 -2.458 -0.845 1.00 . A A . 28 THR C 1 1 12 5529 1 1 29 THR CA C 7.376 -1.713 0.094 1.00 . A A . 28 THR CA 1 1 12 5530 1 1 29 THR CB C 7.089 -2.147 1.542 1.00 . A A . 28 THR CB 1 1 12 5531 1 1 29 THR CG2 C 5.936 -3.138 1.592 1.00 . A A . 28 THR CG2 1 1 12 5532 1 1 29 THR H H 6.703 0.235 0.579 1.00 . A A . 28 THR H 1 1 12 5533 1 1 29 THR HA H 8.395 -1.981 -0.146 1.00 . A A . 28 THR HA 1 1 12 5534 1 1 29 THR HB H 6.818 -1.274 2.118 1.00 . A A . 28 THR HB 1 1 12 5535 1 1 29 THR HG1 H 8.018 -3.555 2.565 1.00 . A A . 28 THR HG1 1 1 12 5536 1 1 29 THR HG21 H 6.228 -4.056 1.103 1.00 . A A . 28 THR HG21 1 1 12 5537 1 1 29 THR HG22 H 5.078 -2.718 1.087 1.00 . A A . 28 THR HG22 1 1 12 5538 1 1 29 THR HG23 H 5.682 -3.343 2.620 1.00 . A A . 28 THR HG23 1 1 12 5539 1 1 29 THR N N 7.242 -0.270 -0.065 1.00 . A A . 28 THR N 1 1 12 5540 1 1 29 THR O O 5.327 -2.008 -1.138 1.00 . A A . 28 THR O 1 1 12 5541 1 1 29 THR OG1 O 8.259 -2.741 2.117 1.00 . A A . 28 THR OG1 1 1 12 5542 1 1 30 PRO C C 4.891 -5.095 -1.552 1.00 . A A . 29 PRO C 1 1 12 5543 1 1 30 PRO CA C 6.094 -4.460 -2.240 1.00 . A A . 29 PRO CA 1 1 12 5544 1 1 30 PRO CB C 7.087 -5.538 -2.683 1.00 . A A . 29 PRO CB 1 1 12 5545 1 1 30 PRO CD C 8.193 -4.223 -1.022 1.00 . A A . 29 PRO CD 1 1 12 5546 1 1 30 PRO CG C 8.080 -5.616 -1.575 1.00 . A A . 29 PRO CG 1 1 12 5547 1 1 30 PRO HA H 5.760 -3.900 -3.102 1.00 . A A . 29 PRO HA 1 1 12 5548 1 1 30 PRO HB2 H 6.567 -6.476 -2.817 1.00 . A A . 29 PRO HB2 1 1 12 5549 1 1 30 PRO HB3 H 7.554 -5.244 -3.611 1.00 . A A . 29 PRO HB3 1 1 12 5550 1 1 30 PRO HD2 H 8.363 -4.254 0.045 1.00 . A A . 29 PRO HD2 1 1 12 5551 1 1 30 PRO HD3 H 8.987 -3.684 -1.517 1.00 . A A . 29 PRO HD3 1 1 12 5552 1 1 30 PRO HG2 H 7.727 -6.295 -0.814 1.00 . A A . 29 PRO HG2 1 1 12 5553 1 1 30 PRO HG3 H 9.034 -5.945 -1.961 1.00 . A A . 29 PRO HG3 1 1 12 5554 1 1 30 PRO N N 6.883 -3.626 -1.329 1.00 . A A . 29 PRO N 1 1 12 5555 1 1 30 PRO O O 5.042 -5.930 -0.660 1.00 . A A . 29 PRO O 1 1 12 5556 1 1 31 LYS C C 2.454 -6.748 -1.446 1.00 . A A . 30 LYS C 1 1 12 5557 1 1 31 LYS CA C 2.465 -5.224 -1.397 1.00 . A A . 30 LYS CA 1 1 12 5558 1 1 31 LYS CB C 1.249 -4.670 -2.143 1.00 . A A . 30 LYS CB 1 1 12 5559 1 1 31 LYS CD C -1.076 -5.256 -2.889 1.00 . A A . 30 LYS CD 1 1 12 5560 1 1 31 LYS CE C -2.488 -5.091 -2.348 1.00 . A A . 30 LYS CE 1 1 12 5561 1 1 31 LYS CG C -0.056 -5.349 -1.767 1.00 . A A . 30 LYS CG 1 1 12 5562 1 1 31 LYS H H 3.640 -4.025 -2.686 1.00 . A A . 30 LYS H 1 1 12 5563 1 1 31 LYS HA H 2.418 -4.908 -0.364 1.00 . A A . 30 LYS HA 1 1 12 5564 1 1 31 LYS HB2 H 1.157 -3.615 -1.925 1.00 . A A . 30 LYS HB2 1 1 12 5565 1 1 31 LYS HB3 H 1.405 -4.797 -3.204 1.00 . A A . 30 LYS HB3 1 1 12 5566 1 1 31 LYS HD2 H -0.840 -4.403 -3.509 1.00 . A A . 30 LYS HD2 1 1 12 5567 1 1 31 LYS HD3 H -1.030 -6.159 -3.482 1.00 . A A . 30 LYS HD3 1 1 12 5568 1 1 31 LYS HE2 H -2.884 -6.067 -2.109 1.00 . A A . 30 LYS HE2 1 1 12 5569 1 1 31 LYS HE3 H -2.448 -4.490 -1.451 1.00 . A A . 30 LYS HE3 1 1 12 5570 1 1 31 LYS HG2 H 0.137 -6.390 -1.557 1.00 . A A . 30 LYS HG2 1 1 12 5571 1 1 31 LYS HG3 H -0.460 -4.871 -0.886 1.00 . A A . 30 LYS HG3 1 1 12 5572 1 1 31 LYS HZ1 H -3.566 -3.446 -3.050 1.00 . A A . 30 LYS HZ1 1 1 12 5573 1 1 31 LYS HZ2 H -4.295 -4.935 -3.384 1.00 . A A . 30 LYS HZ2 1 1 12 5574 1 1 31 LYS HZ3 H -2.949 -4.435 -4.277 1.00 . A A . 30 LYS HZ3 1 1 12 5575 1 1 31 LYS N N 3.695 -4.693 -1.971 1.00 . A A . 30 LYS N 1 1 12 5576 1 1 31 LYS NZ N -3.388 -4.431 -3.334 1.00 . A A . 30 LYS NZ 1 1 12 5577 1 1 31 LYS O O 2.932 -7.365 -2.398 1.00 . A A . 30 LYS O 1 1 12 5578 1 1 32 PRO C C 0.818 -9.420 -1.303 1.00 . A A . 31 PRO C 1 1 12 5579 1 1 32 PRO CA C 1.804 -8.831 -0.301 1.00 . A A . 31 PRO CA 1 1 12 5580 1 1 32 PRO CB C 1.314 -9.061 1.130 1.00 . A A . 31 PRO CB 1 1 12 5581 1 1 32 PRO CD C 1.304 -6.698 0.771 1.00 . A A . 31 PRO CD 1 1 12 5582 1 1 32 PRO CG C 0.590 -7.810 1.489 1.00 . A A . 31 PRO CG 1 1 12 5583 1 1 32 PRO HA H 2.771 -9.296 -0.431 1.00 . A A . 31 PRO HA 1 1 12 5584 1 1 32 PRO HB2 H 0.658 -9.920 1.155 1.00 . A A . 31 PRO HB2 1 1 12 5585 1 1 32 PRO HB3 H 2.159 -9.229 1.782 1.00 . A A . 31 PRO HB3 1 1 12 5586 1 1 32 PRO HD2 H 0.603 -5.936 0.464 1.00 . A A . 31 PRO HD2 1 1 12 5587 1 1 32 PRO HD3 H 2.072 -6.276 1.401 1.00 . A A . 31 PRO HD3 1 1 12 5588 1 1 32 PRO HG2 H -0.436 -7.872 1.158 1.00 . A A . 31 PRO HG2 1 1 12 5589 1 1 32 PRO HG3 H 0.633 -7.654 2.556 1.00 . A A . 31 PRO HG3 1 1 12 5590 1 1 32 PRO N N 1.894 -7.371 -0.399 1.00 . A A . 31 PRO N 1 1 12 5591 1 1 32 PRO O O 0.587 -10.628 -1.280 1.00 . A A . 31 PRO O 1 1 12 5592 2 2 1 ZN ZN ZN 6.583 0.771 4.663 1.00 . B A . 32 ZN ZN 1 1 13 5593 1 1 2 HIS C C -13.985 6.433 3.533 1.00 . A A . 1 HIS C 1 1 13 5594 1 1 2 HIS CA C -12.927 7.163 2.711 1.00 . A A . 1 HIS CA 1 1 13 5595 1 1 2 HIS CB C -11.553 6.541 2.961 1.00 . A A . 1 HIS CB 1 1 13 5596 1 1 2 HIS CD2 C -10.823 7.774 5.121 1.00 . A A . 1 HIS CD2 1 1 13 5597 1 1 2 HIS CE1 C -10.423 6.020 6.373 1.00 . A A . 1 HIS CE1 1 1 13 5598 1 1 2 HIS CG C -11.081 6.675 4.375 1.00 . A A . 1 HIS CG 1 1 13 5599 1 1 2 HIS H H -13.198 8.876 3.926 1.00 . A A . 1 HIS H 1 1 13 5600 1 1 2 HIS HA H -13.173 7.065 1.664 1.00 . A A . 1 HIS HA 1 1 13 5601 1 1 2 HIS HB2 H -11.594 5.487 2.724 1.00 . A A . 1 HIS HB2 1 1 13 5602 1 1 2 HIS HB3 H -10.826 7.019 2.320 1.00 . A A . 1 HIS HB3 1 1 13 5603 1 1 2 HIS HD1 H -10.914 4.651 4.935 1.00 . A A . 1 HIS HD1 1 1 13 5604 1 1 2 HIS HD2 H -10.919 8.803 4.803 1.00 . A A . 1 HIS HD2 1 1 13 5605 1 1 2 HIS HE1 H -10.150 5.397 7.212 1.00 . A A . 1 HIS HE1 1 1 13 5606 1 1 2 HIS N N -12.906 8.584 3.037 1.00 . A A . 1 HIS N 1 1 13 5607 1 1 2 HIS ND1 N -10.821 5.592 5.188 1.00 . A A . 1 HIS ND1 1 1 13 5608 1 1 2 HIS NE2 N -10.416 7.341 6.359 1.00 . A A . 1 HIS NE2 1 1 13 5609 1 1 2 HIS O O -14.073 6.610 4.748 1.00 . A A . 1 HIS O 1 1 13 5610 1 1 3 MET C C -15.695 3.364 3.256 1.00 . A A . 2 MET C 1 1 13 5611 1 1 3 MET CA C -15.840 4.857 3.531 1.00 . A A . 2 MET CA 1 1 13 5612 1 1 3 MET CB C -17.217 5.340 3.071 1.00 . A A . 2 MET CB 1 1 13 5613 1 1 3 MET CE C -19.119 7.651 4.838 1.00 . A A . 2 MET CE 1 1 13 5614 1 1 3 MET CG C -18.316 5.105 4.093 1.00 . A A . 2 MET CG 1 1 13 5615 1 1 3 MET H H -14.670 5.513 1.894 1.00 . A A . 2 MET H 1 1 13 5616 1 1 3 MET HA H -15.746 5.027 4.593 1.00 . A A . 2 MET HA 1 1 13 5617 1 1 3 MET HB2 H -17.164 6.400 2.868 1.00 . A A . 2 MET HB2 1 1 13 5618 1 1 3 MET HB3 H -17.482 4.822 2.162 1.00 . A A . 2 MET HB3 1 1 13 5619 1 1 3 MET HE1 H -20.173 7.423 4.803 1.00 . A A . 2 MET HE1 1 1 13 5620 1 1 3 MET HE2 H -18.956 8.507 5.476 1.00 . A A . 2 MET HE2 1 1 13 5621 1 1 3 MET HE3 H -18.765 7.872 3.841 1.00 . A A . 2 MET HE3 1 1 13 5622 1 1 3 MET HG2 H -19.274 5.230 3.609 1.00 . A A . 2 MET HG2 1 1 13 5623 1 1 3 MET HG3 H -18.233 4.094 4.463 1.00 . A A . 2 MET HG3 1 1 13 5624 1 1 3 MET N N -14.788 5.614 2.862 1.00 . A A . 2 MET N 1 1 13 5625 1 1 3 MET O O -16.370 2.814 2.385 1.00 . A A . 2 MET O 1 1 13 5626 1 1 3 MET SD S -18.224 6.242 5.489 1.00 . A A . 2 MET SD 1 1 13 5627 1 1 4 VAL C C -13.619 0.756 4.904 1.00 . A A . 3 VAL C 1 1 13 5628 1 1 4 VAL CA C -14.577 1.282 3.841 1.00 . A A . 3 VAL CA 1 1 13 5629 1 1 4 VAL CB C -14.006 0.961 2.447 1.00 . A A . 3 VAL CB 1 1 13 5630 1 1 4 VAL CG1 C -12.790 1.828 2.156 1.00 . A A . 3 VAL CG1 1 1 13 5631 1 1 4 VAL CG2 C -13.656 -0.515 2.341 1.00 . A A . 3 VAL CG2 1 1 13 5632 1 1 4 VAL H H -14.302 3.204 4.681 1.00 . A A . 3 VAL H 1 1 13 5633 1 1 4 VAL HA H -15.526 0.775 3.942 1.00 . A A . 3 VAL HA 1 1 13 5634 1 1 4 VAL HB H -14.762 1.184 1.709 1.00 . A A . 3 VAL HB 1 1 13 5635 1 1 4 VAL HG11 H -12.513 1.722 1.117 1.00 . A A . 3 VAL HG11 1 1 13 5636 1 1 4 VAL HG12 H -13.025 2.861 2.365 1.00 . A A . 3 VAL HG12 1 1 13 5637 1 1 4 VAL HG13 H -11.966 1.512 2.780 1.00 . A A . 3 VAL HG13 1 1 13 5638 1 1 4 VAL HG21 H -14.549 -1.107 2.478 1.00 . A A . 3 VAL HG21 1 1 13 5639 1 1 4 VAL HG22 H -13.235 -0.718 1.367 1.00 . A A . 3 VAL HG22 1 1 13 5640 1 1 4 VAL HG23 H -12.934 -0.771 3.104 1.00 . A A . 3 VAL HG23 1 1 13 5641 1 1 4 VAL N N -14.810 2.712 4.003 1.00 . A A . 3 VAL N 1 1 13 5642 1 1 4 VAL O O -12.806 1.505 5.445 1.00 . A A . 3 VAL O 1 1 13 5643 1 1 5 ILE C C -11.810 -2.044 5.538 1.00 . A A . 4 ILE C 1 1 13 5644 1 1 5 ILE CA C -12.864 -1.161 6.196 1.00 . A A . 4 ILE CA 1 1 13 5645 1 1 5 ILE CB C -13.680 -2.009 7.190 1.00 . A A . 4 ILE CB 1 1 13 5646 1 1 5 ILE CD1 C -15.595 -1.808 8.853 1.00 . A A . 4 ILE CD1 1 1 13 5647 1 1 5 ILE CG1 C -14.458 -1.104 8.148 1.00 . A A . 4 ILE CG1 1 1 13 5648 1 1 5 ILE CG2 C -12.765 -2.946 7.963 1.00 . A A . 4 ILE CG2 1 1 13 5649 1 1 5 ILE H H -14.391 -1.080 4.734 1.00 . A A . 4 ILE H 1 1 13 5650 1 1 5 ILE HA H -12.367 -0.376 6.748 1.00 . A A . 4 ILE HA 1 1 13 5651 1 1 5 ILE HB H -14.378 -2.610 6.626 1.00 . A A . 4 ILE HB 1 1 13 5652 1 1 5 ILE HD11 H -16.118 -2.441 8.152 1.00 . A A . 4 ILE HD11 1 1 13 5653 1 1 5 ILE HD12 H -15.204 -2.408 9.660 1.00 . A A . 4 ILE HD12 1 1 13 5654 1 1 5 ILE HD13 H -16.281 -1.073 9.252 1.00 . A A . 4 ILE HD13 1 1 13 5655 1 1 5 ILE HG12 H -13.785 -0.725 8.901 1.00 . A A . 4 ILE HG12 1 1 13 5656 1 1 5 ILE HG13 H -14.872 -0.276 7.591 1.00 . A A . 4 ILE HG13 1 1 13 5657 1 1 5 ILE HG21 H -12.797 -3.930 7.518 1.00 . A A . 4 ILE HG21 1 1 13 5658 1 1 5 ILE HG22 H -11.754 -2.570 7.929 1.00 . A A . 4 ILE HG22 1 1 13 5659 1 1 5 ILE HG23 H -13.094 -3.005 8.990 1.00 . A A . 4 ILE HG23 1 1 13 5660 1 1 5 ILE N N -13.722 -0.535 5.199 1.00 . A A . 4 ILE N 1 1 13 5661 1 1 5 ILE O O -12.071 -3.201 5.208 1.00 . A A . 4 ILE O 1 1 13 5662 1 1 6 GLY C C -8.233 -1.474 4.710 1.00 . A A . 5 GLY C 1 1 13 5663 1 1 6 GLY CA C -9.538 -2.245 4.734 1.00 . A A . 5 GLY CA 1 1 13 5664 1 1 6 GLY H H -10.463 -0.566 5.634 1.00 . A A . 5 GLY H 1 1 13 5665 1 1 6 GLY HA2 H -9.392 -3.162 5.286 1.00 . A A . 5 GLY HA2 1 1 13 5666 1 1 6 GLY HA3 H -9.818 -2.486 3.720 1.00 . A A . 5 GLY HA3 1 1 13 5667 1 1 6 GLY N N -10.614 -1.492 5.351 1.00 . A A . 5 GLY N 1 1 13 5668 1 1 6 GLY O O -8.190 -0.320 4.280 1.00 . A A . 5 GLY O 1 1 13 5669 1 1 7 THR C C -4.795 -2.428 5.763 1.00 . A A . 6 THR C 1 1 13 5670 1 1 7 THR CA C -5.850 -1.478 5.206 1.00 . A A . 6 THR CA 1 1 13 5671 1 1 7 THR CB C -5.866 -0.194 6.057 1.00 . A A . 6 THR CB 1 1 13 5672 1 1 7 THR CG2 C -6.159 1.023 5.192 1.00 . A A . 6 THR CG2 1 1 13 5673 1 1 7 THR H H -7.259 -3.030 5.503 1.00 . A A . 6 THR H 1 1 13 5674 1 1 7 THR HA H -5.583 -1.211 4.194 1.00 . A A . 6 THR HA 1 1 13 5675 1 1 7 THR HB H -4.895 -0.069 6.512 1.00 . A A . 6 THR HB 1 1 13 5676 1 1 7 THR HG1 H -6.556 -0.927 7.752 1.00 . A A . 6 THR HG1 1 1 13 5677 1 1 7 THR HG21 H -5.350 1.732 5.282 1.00 . A A . 6 THR HG21 1 1 13 5678 1 1 7 THR HG22 H -7.079 1.484 5.518 1.00 . A A . 6 THR HG22 1 1 13 5679 1 1 7 THR HG23 H -6.255 0.717 4.161 1.00 . A A . 6 THR HG23 1 1 13 5680 1 1 7 THR N N -7.162 -2.112 5.174 1.00 . A A . 6 THR N 1 1 13 5681 1 1 7 THR O O -5.090 -3.271 6.608 1.00 . A A . 6 THR O 1 1 13 5682 1 1 7 THR OG1 O -6.855 -0.302 7.087 1.00 . A A . 6 THR OG1 1 1 13 5683 1 1 8 TRP C C -1.320 -2.288 6.282 1.00 . A A . 7 TRP C 1 1 13 5684 1 1 8 TRP CA C -2.465 -3.131 5.731 1.00 . A A . 7 TRP CA 1 1 13 5685 1 1 8 TRP CB C -1.964 -4.006 4.582 1.00 . A A . 7 TRP CB 1 1 13 5686 1 1 8 TRP CD1 C -2.666 -2.729 2.473 1.00 . A A . 7 TRP CD1 1 1 13 5687 1 1 8 TRP CD2 C -0.450 -2.906 2.748 1.00 . A A . 7 TRP CD2 1 1 13 5688 1 1 8 TRP CE2 C -0.701 -2.188 1.561 1.00 . A A . 7 TRP CE2 1 1 13 5689 1 1 8 TRP CE3 C 0.874 -3.141 3.127 1.00 . A A . 7 TRP CE3 1 1 13 5690 1 1 8 TRP CG C -1.721 -3.242 3.315 1.00 . A A . 7 TRP CG 1 1 13 5691 1 1 8 TRP CH2 C 1.613 -1.949 1.149 1.00 . A A . 7 TRP CH2 1 1 13 5692 1 1 8 TRP CZ2 C 0.326 -1.706 0.754 1.00 . A A . 7 TRP CZ2 1 1 13 5693 1 1 8 TRP CZ3 C 1.891 -2.660 2.323 1.00 . A A . 7 TRP CZ3 1 1 13 5694 1 1 8 TRP H H -3.392 -1.594 4.607 1.00 . A A . 7 TRP H 1 1 13 5695 1 1 8 TRP HA H -2.839 -3.768 6.520 1.00 . A A . 7 TRP HA 1 1 13 5696 1 1 8 TRP HB2 H -1.035 -4.475 4.872 1.00 . A A . 7 TRP HB2 1 1 13 5697 1 1 8 TRP HB3 H -2.698 -4.771 4.374 1.00 . A A . 7 TRP HB3 1 1 13 5698 1 1 8 TRP HD1 H -3.731 -2.818 2.628 1.00 . A A . 7 TRP HD1 1 1 13 5699 1 1 8 TRP HE1 H -2.524 -1.646 0.680 1.00 . A A . 7 TRP HE1 1 1 13 5700 1 1 8 TRP HE3 H 1.109 -3.686 4.028 1.00 . A A . 7 TRP HE3 1 1 13 5701 1 1 8 TRP HH2 H 2.438 -1.593 0.552 1.00 . A A . 7 TRP HH2 1 1 13 5702 1 1 8 TRP HZ2 H 0.127 -1.155 -0.154 1.00 . A A . 7 TRP HZ2 1 1 13 5703 1 1 8 TRP HZ3 H 2.921 -2.832 2.600 1.00 . A A . 7 TRP HZ3 1 1 13 5704 1 1 8 TRP N N -3.565 -2.285 5.282 1.00 . A A . 7 TRP N 1 1 13 5705 1 1 8 TRP NE1 N -2.059 -2.094 1.417 1.00 . A A . 7 TRP NE1 1 1 13 5706 1 1 8 TRP O O -0.954 -1.267 5.699 1.00 . A A . 7 TRP O 1 1 13 5707 1 1 9 ASP C C 1.687 -2.604 7.617 1.00 . A A . 8 ASP C 1 1 13 5708 1 1 9 ASP CA C 0.346 -2.006 8.034 1.00 . A A . 8 ASP CA 1 1 13 5709 1 1 9 ASP CB C 0.207 -2.044 9.556 1.00 . A A . 8 ASP CB 1 1 13 5710 1 1 9 ASP CG C -1.223 -1.826 10.013 1.00 . A A . 8 ASP CG 1 1 13 5711 1 1 9 ASP H H -1.096 -3.542 7.822 1.00 . A A . 8 ASP H 1 1 13 5712 1 1 9 ASP HA H 0.307 -0.980 7.704 1.00 . A A . 8 ASP HA 1 1 13 5713 1 1 9 ASP HB2 H 0.536 -3.008 9.917 1.00 . A A . 8 ASP HB2 1 1 13 5714 1 1 9 ASP HB3 H 0.826 -1.272 9.987 1.00 . A A . 8 ASP HB3 1 1 13 5715 1 1 9 ASP N N -0.759 -2.721 7.405 1.00 . A A . 8 ASP N 1 1 13 5716 1 1 9 ASP O O 1.800 -3.812 7.405 1.00 . A A . 8 ASP O 1 1 13 5717 1 1 9 ASP OD1 O -2.129 -2.488 9.465 1.00 . A A . 8 ASP OD1 1 1 13 5718 1 1 9 ASP OD2 O -1.434 -0.992 10.917 1.00 . A A . 8 ASP OD2 1 1 13 5719 1 1 10 CYS C C 4.687 -3.000 8.228 1.00 . A A . 9 CYS C 1 1 13 5720 1 1 10 CYS CA C 4.031 -2.195 7.110 1.00 . A A . 9 CYS CA 1 1 13 5721 1 1 10 CYS CB C 4.906 -0.991 6.752 1.00 . A A . 9 CYS CB 1 1 13 5722 1 1 10 CYS H H 2.546 -0.800 7.685 1.00 . A A . 9 CYS H 1 1 13 5723 1 1 10 CYS HA H 3.929 -2.826 6.241 1.00 . A A . 9 CYS HA 1 1 13 5724 1 1 10 CYS HB2 H 4.298 -0.246 6.263 1.00 . A A . 9 CYS HB2 1 1 13 5725 1 1 10 CYS HB3 H 5.318 -0.573 7.660 1.00 . A A . 9 CYS HB3 1 1 13 5726 1 1 10 CYS N N 2.699 -1.752 7.502 1.00 . A A . 9 CYS N 1 1 13 5727 1 1 10 CYS O O 4.159 -3.088 9.337 1.00 . A A . 9 CYS O 1 1 13 5728 1 1 10 CYS SG S 6.295 -1.387 5.643 1.00 . A A . 9 CYS SG 1 1 13 5729 1 1 11 ASP C C 8.033 -3.957 8.975 1.00 . A A . 10 ASP C 1 1 13 5730 1 1 11 ASP CA C 6.571 -4.384 8.907 1.00 . A A . 10 ASP CA 1 1 13 5731 1 1 11 ASP CB C 6.477 -5.870 8.558 1.00 . A A . 10 ASP CB 1 1 13 5732 1 1 11 ASP CG C 5.097 -6.264 8.069 1.00 . A A . 10 ASP CG 1 1 13 5733 1 1 11 ASP H H 6.211 -3.480 7.027 1.00 . A A . 10 ASP H 1 1 13 5734 1 1 11 ASP HA H 6.115 -4.222 9.872 1.00 . A A . 10 ASP HA 1 1 13 5735 1 1 11 ASP HB2 H 7.191 -6.097 7.780 1.00 . A A . 10 ASP HB2 1 1 13 5736 1 1 11 ASP HB3 H 6.708 -6.454 9.436 1.00 . A A . 10 ASP HB3 1 1 13 5737 1 1 11 ASP N N 5.841 -3.587 7.928 1.00 . A A . 10 ASP N 1 1 13 5738 1 1 11 ASP O O 8.818 -4.510 9.745 1.00 . A A . 10 ASP O 1 1 13 5739 1 1 11 ASP OD1 O 4.210 -6.495 8.917 1.00 . A A . 10 ASP OD1 1 1 13 5740 1 1 11 ASP OD2 O 4.904 -6.340 6.838 1.00 . A A . 10 ASP OD2 1 1 13 5741 1 1 12 THR C C 9.820 -0.998 8.530 1.00 . A A . 11 THR C 1 1 13 5742 1 1 12 THR CA C 9.762 -2.467 8.129 1.00 . A A . 11 THR CA 1 1 13 5743 1 1 12 THR CB C 10.385 -2.631 6.730 1.00 . A A . 11 THR CB 1 1 13 5744 1 1 12 THR CG2 C 11.488 -1.607 6.505 1.00 . A A . 11 THR CG2 1 1 13 5745 1 1 12 THR H H 7.722 -2.567 7.572 1.00 . A A . 11 THR H 1 1 13 5746 1 1 12 THR HA H 10.347 -3.045 8.830 1.00 . A A . 11 THR HA 1 1 13 5747 1 1 12 THR HB H 9.615 -2.476 5.988 1.00 . A A . 11 THR HB 1 1 13 5748 1 1 12 THR HG1 H 11.444 -3.996 5.780 1.00 . A A . 11 THR HG1 1 1 13 5749 1 1 12 THR HG21 H 11.963 -1.791 5.553 1.00 . A A . 11 THR HG21 1 1 13 5750 1 1 12 THR HG22 H 12.220 -1.688 7.295 1.00 . A A . 11 THR HG22 1 1 13 5751 1 1 12 THR HG23 H 11.063 -0.615 6.509 1.00 . A A . 11 THR HG23 1 1 13 5752 1 1 12 THR N N 8.394 -2.967 8.163 1.00 . A A . 11 THR N 1 1 13 5753 1 1 12 THR O O 10.570 -0.618 9.430 1.00 . A A . 11 THR O 1 1 13 5754 1 1 12 THR OG1 O 10.918 -3.951 6.582 1.00 . A A . 11 THR OG1 1 1 13 5755 1 1 13 CYS C C 7.817 1.592 9.067 1.00 . A A . 12 CYS C 1 1 13 5756 1 1 13 CYS CA C 8.983 1.255 8.143 1.00 . A A . 12 CYS CA 1 1 13 5757 1 1 13 CYS CB C 8.866 2.053 6.844 1.00 . A A . 12 CYS CB 1 1 13 5758 1 1 13 CYS H H 8.448 -0.536 7.150 1.00 . A A . 12 CYS H 1 1 13 5759 1 1 13 CYS HA H 9.905 1.521 8.637 1.00 . A A . 12 CYS HA 1 1 13 5760 1 1 13 CYS HB2 H 9.354 3.009 6.972 1.00 . A A . 12 CYS HB2 1 1 13 5761 1 1 13 CYS HB3 H 9.356 1.509 6.050 1.00 . A A . 12 CYS HB3 1 1 13 5762 1 1 13 CYS N N 9.023 -0.174 7.857 1.00 . A A . 12 CYS N 1 1 13 5763 1 1 13 CYS O O 7.732 2.699 9.601 1.00 . A A . 12 CYS O 1 1 13 5764 1 1 13 CYS SG S 7.151 2.375 6.320 1.00 . A A . 12 CYS SG 1 1 13 5765 1 1 14 LEU C C 4.860 1.934 9.573 1.00 . A A . 13 LEU C 1 1 13 5766 1 1 14 LEU CA C 5.756 0.825 10.111 1.00 . A A . 13 LEU CA 1 1 13 5767 1 1 14 LEU CB C 6.201 1.159 11.537 1.00 . A A . 13 LEU CB 1 1 13 5768 1 1 14 LEU CD1 C 8.081 1.180 13.195 1.00 . A A . 13 LEU CD1 1 1 13 5769 1 1 14 LEU CD2 C 7.079 -0.994 12.472 1.00 . A A . 13 LEU CD2 1 1 13 5770 1 1 14 LEU CG C 7.440 0.421 12.044 1.00 . A A . 13 LEU CG 1 1 13 5771 1 1 14 LEU H H 7.039 -0.229 8.800 1.00 . A A . 13 LEU H 1 1 13 5772 1 1 14 LEU HA H 5.196 -0.099 10.125 1.00 . A A . 13 LEU HA 1 1 13 5773 1 1 14 LEU HB2 H 6.408 2.218 11.578 1.00 . A A . 13 LEU HB2 1 1 13 5774 1 1 14 LEU HB3 H 5.381 0.927 12.201 1.00 . A A . 13 LEU HB3 1 1 13 5775 1 1 14 LEU HD11 H 7.861 0.677 14.125 1.00 . A A . 13 LEU HD11 1 1 13 5776 1 1 14 LEU HD12 H 7.685 2.185 13.227 1.00 . A A . 13 LEU HD12 1 1 13 5777 1 1 14 LEU HD13 H 9.150 1.219 13.050 1.00 . A A . 13 LEU HD13 1 1 13 5778 1 1 14 LEU HD21 H 7.218 -1.669 11.639 1.00 . A A . 13 LEU HD21 1 1 13 5779 1 1 14 LEU HD22 H 6.046 -1.023 12.788 1.00 . A A . 13 LEU HD22 1 1 13 5780 1 1 14 LEU HD23 H 7.716 -1.297 13.290 1.00 . A A . 13 LEU HD23 1 1 13 5781 1 1 14 LEU HG H 8.164 0.354 11.244 1.00 . A A . 13 LEU HG 1 1 13 5782 1 1 14 LEU N N 6.919 0.631 9.252 1.00 . A A . 13 LEU N 1 1 13 5783 1 1 14 LEU O O 4.940 3.082 10.014 1.00 . A A . 13 LEU O 1 1 13 5784 1 1 15 VAL C C 1.884 1.856 7.398 1.00 . A A . 14 VAL C 1 1 13 5785 1 1 15 VAL CA C 3.089 2.551 8.020 1.00 . A A . 14 VAL CA 1 1 13 5786 1 1 15 VAL CB C 3.792 3.399 6.942 1.00 . A A . 14 VAL CB 1 1 13 5787 1 1 15 VAL CG1 C 2.780 4.242 6.181 1.00 . A A . 14 VAL CG1 1 1 13 5788 1 1 15 VAL CG2 C 4.864 4.276 7.571 1.00 . A A . 14 VAL CG2 1 1 13 5789 1 1 15 VAL H H 3.987 0.657 8.307 1.00 . A A . 14 VAL H 1 1 13 5790 1 1 15 VAL HA H 2.747 3.214 8.802 1.00 . A A . 14 VAL HA 1 1 13 5791 1 1 15 VAL HB H 4.268 2.729 6.242 1.00 . A A . 14 VAL HB 1 1 13 5792 1 1 15 VAL HG11 H 3.290 4.820 5.425 1.00 . A A . 14 VAL HG11 1 1 13 5793 1 1 15 VAL HG12 H 2.052 3.595 5.713 1.00 . A A . 14 VAL HG12 1 1 13 5794 1 1 15 VAL HG13 H 2.280 4.910 6.868 1.00 . A A . 14 VAL HG13 1 1 13 5795 1 1 15 VAL HG21 H 5.298 4.911 6.813 1.00 . A A . 14 VAL HG21 1 1 13 5796 1 1 15 VAL HG22 H 4.423 4.888 8.344 1.00 . A A . 14 VAL HG22 1 1 13 5797 1 1 15 VAL HG23 H 5.633 3.653 8.001 1.00 . A A . 14 VAL HG23 1 1 13 5798 1 1 15 VAL N N 4.004 1.586 8.617 1.00 . A A . 14 VAL N 1 1 13 5799 1 1 15 VAL O O 2.024 0.833 6.728 1.00 . A A . 14 VAL O 1 1 13 5800 1 1 16 GLN C C -0.757 2.307 5.649 1.00 . A A . 15 GLN C 1 1 13 5801 1 1 16 GLN CA C -0.529 1.848 7.086 1.00 . A A . 15 GLN CA 1 1 13 5802 1 1 16 GLN CB C -1.723 2.246 7.956 1.00 . A A . 15 GLN CB 1 1 13 5803 1 1 16 GLN CD C -2.752 2.265 10.263 1.00 . A A . 15 GLN CD 1 1 13 5804 1 1 16 GLN CG C -1.612 1.770 9.395 1.00 . A A . 15 GLN CG 1 1 13 5805 1 1 16 GLN H H 0.654 3.231 8.167 1.00 . A A . 15 GLN H 1 1 13 5806 1 1 16 GLN HA H -0.431 0.774 7.096 1.00 . A A . 15 GLN HA 1 1 13 5807 1 1 16 GLN HB2 H -1.808 3.322 7.960 1.00 . A A . 15 GLN HB2 1 1 13 5808 1 1 16 GLN HB3 H -2.621 1.824 7.528 1.00 . A A . 15 GLN HB3 1 1 13 5809 1 1 16 GLN HE21 H -2.175 1.072 11.744 1.00 . A A . 15 GLN HE21 1 1 13 5810 1 1 16 GLN HE22 H -3.569 2.042 12.061 1.00 . A A . 15 GLN HE22 1 1 13 5811 1 1 16 GLN HG2 H -1.615 0.690 9.405 1.00 . A A . 15 GLN HG2 1 1 13 5812 1 1 16 GLN HG3 H -0.682 2.131 9.808 1.00 . A A . 15 GLN HG3 1 1 13 5813 1 1 16 GLN N N 0.700 2.417 7.625 1.00 . A A . 15 GLN N 1 1 13 5814 1 1 16 GLN NE2 N -2.842 1.739 11.480 1.00 . A A . 15 GLN NE2 1 1 13 5815 1 1 16 GLN O O -0.410 3.429 5.283 1.00 . A A . 15 GLN O 1 1 13 5816 1 1 16 GLN OE1 O -3.544 3.111 9.846 1.00 . A A . 15 GLN OE1 1 1 13 5817 1 1 17 ASN C C -2.931 1.118 2.990 1.00 . A A . 16 ASN C 1 1 13 5818 1 1 17 ASN CA C -1.617 1.746 3.443 1.00 . A A . 16 ASN CA 1 1 13 5819 1 1 17 ASN CB C -0.472 1.256 2.554 1.00 . A A . 16 ASN CB 1 1 13 5820 1 1 17 ASN CG C 0.863 1.262 3.275 1.00 . A A . 16 ASN CG 1 1 13 5821 1 1 17 ASN H H -1.597 0.552 5.189 1.00 . A A . 16 ASN H 1 1 13 5822 1 1 17 ASN HA H -1.695 2.819 3.354 1.00 . A A . 16 ASN HA 1 1 13 5823 1 1 17 ASN HB2 H -0.681 0.246 2.233 1.00 . A A . 16 ASN HB2 1 1 13 5824 1 1 17 ASN HB3 H -0.395 1.896 1.687 1.00 . A A . 16 ASN HB3 1 1 13 5825 1 1 17 ASN HD21 H 0.242 -0.189 4.485 1.00 . A A . 16 ASN HD21 1 1 13 5826 1 1 17 ASN HD22 H 1.851 0.380 4.756 1.00 . A A . 16 ASN HD22 1 1 13 5827 1 1 17 ASN N N -1.343 1.432 4.840 1.00 . A A . 16 ASN N 1 1 13 5828 1 1 17 ASN ND2 N 0.999 0.396 4.273 1.00 . A A . 16 ASN ND2 1 1 13 5829 1 1 17 ASN O O -3.341 0.073 3.498 1.00 . A A . 16 ASN O 1 1 13 5830 1 1 17 ASN OD1 O 1.759 2.035 2.937 1.00 . A A . 16 ASN OD1 1 1 13 5831 1 1 18 LYS C C -4.663 -0.059 0.776 1.00 . A A . 17 LYS C 1 1 13 5832 1 1 18 LYS CA C -4.856 1.266 1.507 1.00 . A A . 17 LYS CA 1 1 13 5833 1 1 18 LYS CB C -5.479 2.296 0.562 1.00 . A A . 17 LYS CB 1 1 13 5834 1 1 18 LYS CD C -5.724 3.084 -1.810 1.00 . A A . 17 LYS CD 1 1 13 5835 1 1 18 LYS CE C -5.722 4.563 -1.454 1.00 . A A . 17 LYS CE 1 1 13 5836 1 1 18 LYS CG C -4.886 2.275 -0.836 1.00 . A A . 17 LYS CG 1 1 13 5837 1 1 18 LYS H H -3.212 2.589 1.665 1.00 . A A . 17 LYS H 1 1 13 5838 1 1 18 LYS HA H -5.522 1.108 2.343 1.00 . A A . 17 LYS HA 1 1 13 5839 1 1 18 LYS HB2 H -6.538 2.101 0.484 1.00 . A A . 17 LYS HB2 1 1 13 5840 1 1 18 LYS HB3 H -5.333 3.282 0.978 1.00 . A A . 17 LYS HB3 1 1 13 5841 1 1 18 LYS HD2 H -5.323 2.965 -2.805 1.00 . A A . 17 LYS HD2 1 1 13 5842 1 1 18 LYS HD3 H -6.742 2.719 -1.784 1.00 . A A . 17 LYS HD3 1 1 13 5843 1 1 18 LYS HE2 H -4.722 4.847 -1.160 1.00 . A A . 17 LYS HE2 1 1 13 5844 1 1 18 LYS HE3 H -6.014 5.130 -2.325 1.00 . A A . 17 LYS HE3 1 1 13 5845 1 1 18 LYS HG2 H -3.891 2.694 -0.801 1.00 . A A . 17 LYS HG2 1 1 13 5846 1 1 18 LYS HG3 H -4.835 1.252 -1.181 1.00 . A A . 17 LYS HG3 1 1 13 5847 1 1 18 LYS HZ1 H -7.149 4.001 -0.037 1.00 . A A . 17 LYS HZ1 1 1 13 5848 1 1 18 LYS HZ2 H -7.370 5.561 -0.650 1.00 . A A . 17 LYS HZ2 1 1 13 5849 1 1 18 LYS HZ3 H -6.139 5.259 0.471 1.00 . A A . 17 LYS HZ3 1 1 13 5850 1 1 18 LYS N N -3.589 1.761 2.031 1.00 . A A . 17 LYS N 1 1 13 5851 1 1 18 LYS NZ N -6.661 4.867 -0.339 1.00 . A A . 17 LYS NZ 1 1 13 5852 1 1 18 LYS O O -3.629 -0.308 0.155 1.00 . A A . 17 LYS O 1 1 13 5853 1 1 19 PRO C C -5.714 -2.139 -1.322 1.00 . A A . 18 PRO C 1 1 13 5854 1 1 19 PRO CA C -5.645 -2.244 0.198 1.00 . A A . 18 PRO CA 1 1 13 5855 1 1 19 PRO CB C -6.893 -2.942 0.743 1.00 . A A . 18 PRO CB 1 1 13 5856 1 1 19 PRO CD C -6.943 -0.701 1.571 1.00 . A A . 18 PRO CD 1 1 13 5857 1 1 19 PRO CG C -7.818 -1.834 1.113 1.00 . A A . 18 PRO CG 1 1 13 5858 1 1 19 PRO HA H -4.765 -2.803 0.480 1.00 . A A . 18 PRO HA 1 1 13 5859 1 1 19 PRO HB2 H -7.319 -3.574 -0.024 1.00 . A A . 18 PRO HB2 1 1 13 5860 1 1 19 PRO HB3 H -6.629 -3.539 1.603 1.00 . A A . 18 PRO HB3 1 1 13 5861 1 1 19 PRO HD2 H -7.377 0.248 1.294 1.00 . A A . 18 PRO HD2 1 1 13 5862 1 1 19 PRO HD3 H -6.789 -0.751 2.639 1.00 . A A . 18 PRO HD3 1 1 13 5863 1 1 19 PRO HG2 H -8.396 -1.536 0.251 1.00 . A A . 18 PRO HG2 1 1 13 5864 1 1 19 PRO HG3 H -8.469 -2.152 1.913 1.00 . A A . 18 PRO HG3 1 1 13 5865 1 1 19 PRO N N -5.680 -0.930 0.849 1.00 . A A . 18 PRO N 1 1 13 5866 1 1 19 PRO O O -5.515 -3.126 -2.030 1.00 . A A . 18 PRO O 1 1 13 5867 1 1 20 GLU C C -4.725 -0.372 -3.842 1.00 . A A . 19 GLU C 1 1 13 5868 1 1 20 GLU CA C -6.093 -0.707 -3.252 1.00 . A A . 19 GLU CA 1 1 13 5869 1 1 20 GLU CB C -7.077 0.428 -3.544 1.00 . A A . 19 GLU CB 1 1 13 5870 1 1 20 GLU CD C -9.460 1.174 -3.168 1.00 . A A . 19 GLU CD 1 1 13 5871 1 1 20 GLU CG C -8.248 0.481 -2.577 1.00 . A A . 19 GLU CG 1 1 13 5872 1 1 20 GLU H H -6.147 -0.191 -1.200 1.00 . A A . 19 GLU H 1 1 13 5873 1 1 20 GLU HA H -6.457 -1.614 -3.711 1.00 . A A . 19 GLU HA 1 1 13 5874 1 1 20 GLU HB2 H -6.549 1.368 -3.492 1.00 . A A . 19 GLU HB2 1 1 13 5875 1 1 20 GLU HB3 H -7.469 0.299 -4.543 1.00 . A A . 19 GLU HB3 1 1 13 5876 1 1 20 GLU HG2 H -8.524 -0.527 -2.309 1.00 . A A . 19 GLU HG2 1 1 13 5877 1 1 20 GLU HG3 H -7.942 1.017 -1.691 1.00 . A A . 19 GLU HG3 1 1 13 5878 1 1 20 GLU N N -5.997 -0.938 -1.816 1.00 . A A . 19 GLU N 1 1 13 5879 1 1 20 GLU O O -4.570 -0.269 -5.058 1.00 . A A . 19 GLU O 1 1 13 5880 1 1 20 GLU OE1 O -9.303 1.883 -4.184 1.00 . A A . 19 GLU OE1 1 1 13 5881 1 1 20 GLU OE2 O -10.567 1.008 -2.614 1.00 . A A . 19 GLU OE2 1 1 13 5882 1 1 21 ALA C C -1.590 -1.150 -3.708 1.00 . A A . 20 ALA C 1 1 13 5883 1 1 21 ALA CA C -2.383 0.116 -3.401 1.00 . A A . 20 ALA CA 1 1 13 5884 1 1 21 ALA CB C -1.671 0.943 -2.341 1.00 . A A . 20 ALA CB 1 1 13 5885 1 1 21 ALA H H -3.922 -0.301 -2.013 1.00 . A A . 20 ALA H 1 1 13 5886 1 1 21 ALA HA H -2.452 0.711 -4.301 1.00 . A A . 20 ALA HA 1 1 13 5887 1 1 21 ALA HB1 H -2.212 1.866 -2.184 1.00 . A A . 20 ALA HB1 1 1 13 5888 1 1 21 ALA HB2 H -1.632 0.386 -1.417 1.00 . A A . 20 ALA HB2 1 1 13 5889 1 1 21 ALA HB3 H -0.668 1.165 -2.671 1.00 . A A . 20 ALA HB3 1 1 13 5890 1 1 21 ALA N N -3.737 -0.205 -2.969 1.00 . A A . 20 ALA N 1 1 13 5891 1 1 21 ALA O O -2.044 -2.260 -3.431 1.00 . A A . 20 ALA O 1 1 13 5892 1 1 22 ILE C C 1.725 -2.106 -3.783 1.00 . A A . 21 ILE C 1 1 13 5893 1 1 22 ILE CA C 0.453 -2.104 -4.624 1.00 . A A . 21 ILE CA 1 1 13 5894 1 1 22 ILE CB C 0.836 -2.087 -6.115 1.00 . A A . 21 ILE CB 1 1 13 5895 1 1 22 ILE CD1 C -1.337 -1.427 -7.265 1.00 . A A . 21 ILE CD1 1 1 13 5896 1 1 22 ILE CG1 C -0.348 -2.535 -6.974 1.00 . A A . 21 ILE CG1 1 1 13 5897 1 1 22 ILE CG2 C 2.044 -2.980 -6.362 1.00 . A A . 21 ILE CG2 1 1 13 5898 1 1 22 ILE H H -0.096 -0.065 -4.477 1.00 . A A . 21 ILE H 1 1 13 5899 1 1 22 ILE HA H -0.099 -3.013 -4.425 1.00 . A A . 21 ILE HA 1 1 13 5900 1 1 22 ILE HB H 1.105 -1.077 -6.383 1.00 . A A . 21 ILE HB 1 1 13 5901 1 1 22 ILE HD11 H -0.988 -0.845 -8.105 1.00 . A A . 21 ILE HD11 1 1 13 5902 1 1 22 ILE HD12 H -2.300 -1.855 -7.496 1.00 . A A . 21 ILE HD12 1 1 13 5903 1 1 22 ILE HD13 H -1.426 -0.788 -6.398 1.00 . A A . 21 ILE HD13 1 1 13 5904 1 1 22 ILE HG12 H 0.019 -2.907 -7.918 1.00 . A A . 21 ILE HG12 1 1 13 5905 1 1 22 ILE HG13 H -0.876 -3.326 -6.461 1.00 . A A . 21 ILE HG13 1 1 13 5906 1 1 22 ILE HG21 H 1.926 -3.903 -5.814 1.00 . A A . 21 ILE HG21 1 1 13 5907 1 1 22 ILE HG22 H 2.121 -3.196 -7.416 1.00 . A A . 21 ILE HG22 1 1 13 5908 1 1 22 ILE HG23 H 2.938 -2.476 -6.029 1.00 . A A . 21 ILE HG23 1 1 13 5909 1 1 22 ILE N N -0.403 -0.975 -4.281 1.00 . A A . 21 ILE N 1 1 13 5910 1 1 22 ILE O O 2.435 -3.108 -3.714 1.00 . A A . 21 ILE O 1 1 13 5911 1 1 23 LYS C C 2.962 0.180 -1.198 1.00 . A A . 22 LYS C 1 1 13 5912 1 1 23 LYS CA C 3.190 -0.845 -2.303 1.00 . A A . 22 LYS CA 1 1 13 5913 1 1 23 LYS CB C 4.398 -0.438 -3.150 1.00 . A A . 22 LYS CB 1 1 13 5914 1 1 23 LYS CD C 4.300 2.052 -3.464 1.00 . A A . 22 LYS CD 1 1 13 5915 1 1 23 LYS CE C 4.105 3.185 -4.461 1.00 . A A . 22 LYS CE 1 1 13 5916 1 1 23 LYS CG C 4.108 0.695 -4.119 1.00 . A A . 22 LYS CG 1 1 13 5917 1 1 23 LYS H H 1.400 -0.210 -3.238 1.00 . A A . 22 LYS H 1 1 13 5918 1 1 23 LYS HA H 3.384 -1.806 -1.852 1.00 . A A . 22 LYS HA 1 1 13 5919 1 1 23 LYS HB2 H 5.195 -0.125 -2.492 1.00 . A A . 22 LYS HB2 1 1 13 5920 1 1 23 LYS HB3 H 4.728 -1.295 -3.720 1.00 . A A . 22 LYS HB3 1 1 13 5921 1 1 23 LYS HD2 H 3.580 2.163 -2.667 1.00 . A A . 22 LYS HD2 1 1 13 5922 1 1 23 LYS HD3 H 5.300 2.108 -3.059 1.00 . A A . 22 LYS HD3 1 1 13 5923 1 1 23 LYS HE2 H 4.509 4.092 -4.039 1.00 . A A . 22 LYS HE2 1 1 13 5924 1 1 23 LYS HE3 H 4.638 2.942 -5.369 1.00 . A A . 22 LYS HE3 1 1 13 5925 1 1 23 LYS HG2 H 4.778 0.616 -4.962 1.00 . A A . 22 LYS HG2 1 1 13 5926 1 1 23 LYS HG3 H 3.086 0.611 -4.461 1.00 . A A . 22 LYS HG3 1 1 13 5927 1 1 23 LYS HZ1 H 2.555 4.261 -5.355 1.00 . A A . 22 LYS HZ1 1 1 13 5928 1 1 23 LYS HZ2 H 2.116 3.502 -3.909 1.00 . A A . 22 LYS HZ2 1 1 13 5929 1 1 23 LYS HZ3 H 2.297 2.589 -5.322 1.00 . A A . 22 LYS HZ3 1 1 13 5930 1 1 23 LYS N N 2.005 -0.975 -3.144 1.00 . A A . 22 LYS N 1 1 13 5931 1 1 23 LYS NZ N 2.668 3.398 -4.784 1.00 . A A . 22 LYS NZ 1 1 13 5932 1 1 23 LYS O O 1.939 0.864 -1.172 1.00 . A A . 22 LYS O 1 1 13 5933 1 1 24 CYS C C 3.851 2.666 0.315 1.00 . A A . 23 CYS C 1 1 13 5934 1 1 24 CYS CA C 3.829 1.227 0.822 1.00 . A A . 23 CYS CA 1 1 13 5935 1 1 24 CYS CB C 4.978 1.004 1.808 1.00 . A A . 23 CYS CB 1 1 13 5936 1 1 24 CYS H H 4.717 -0.288 -0.360 1.00 . A A . 23 CYS H 1 1 13 5937 1 1 24 CYS HA H 2.893 1.050 1.329 1.00 . A A . 23 CYS HA 1 1 13 5938 1 1 24 CYS HB2 H 5.267 -0.036 1.782 1.00 . A A . 23 CYS HB2 1 1 13 5939 1 1 24 CYS HB3 H 5.819 1.614 1.512 1.00 . A A . 23 CYS HB3 1 1 13 5940 1 1 24 CYS N N 3.924 0.284 -0.286 1.00 . A A . 23 CYS N 1 1 13 5941 1 1 24 CYS O O 4.365 2.947 -0.767 1.00 . A A . 23 CYS O 1 1 13 5942 1 1 24 CYS SG S 4.569 1.423 3.533 1.00 . A A . 23 CYS SG 1 1 13 5943 1 1 25 VAL C C 4.263 5.793 1.537 1.00 . A A . 24 VAL C 1 1 13 5944 1 1 25 VAL CA C 3.245 4.986 0.739 1.00 . A A . 24 VAL CA 1 1 13 5945 1 1 25 VAL CB C 1.843 5.580 0.967 1.00 . A A . 24 VAL CB 1 1 13 5946 1 1 25 VAL CG1 C 1.507 5.607 2.450 1.00 . A A . 24 VAL CG1 1 1 13 5947 1 1 25 VAL CG2 C 1.753 6.975 0.366 1.00 . A A . 24 VAL CG2 1 1 13 5948 1 1 25 VAL H H 2.895 3.290 1.958 1.00 . A A . 24 VAL H 1 1 13 5949 1 1 25 VAL HA H 3.481 5.065 -0.311 1.00 . A A . 24 VAL HA 1 1 13 5950 1 1 25 VAL HB H 1.121 4.950 0.468 1.00 . A A . 24 VAL HB 1 1 13 5951 1 1 25 VAL HG11 H 2.334 6.034 2.998 1.00 . A A . 24 VAL HG11 1 1 13 5952 1 1 25 VAL HG12 H 0.621 6.203 2.609 1.00 . A A . 24 VAL HG12 1 1 13 5953 1 1 25 VAL HG13 H 1.330 4.599 2.797 1.00 . A A . 24 VAL HG13 1 1 13 5954 1 1 25 VAL HG21 H 2.625 7.161 -0.242 1.00 . A A . 24 VAL HG21 1 1 13 5955 1 1 25 VAL HG22 H 0.865 7.048 -0.245 1.00 . A A . 24 VAL HG22 1 1 13 5956 1 1 25 VAL HG23 H 1.703 7.706 1.159 1.00 . A A . 24 VAL HG23 1 1 13 5957 1 1 25 VAL N N 3.289 3.575 1.107 1.00 . A A . 24 VAL N 1 1 13 5958 1 1 25 VAL O O 4.175 7.018 1.614 1.00 . A A . 24 VAL O 1 1 13 5959 1 1 26 ALA C C 7.648 5.210 2.563 1.00 . A A . 25 ALA C 1 1 13 5960 1 1 26 ALA CA C 6.266 5.750 2.918 1.00 . A A . 25 ALA CA 1 1 13 5961 1 1 26 ALA CB C 5.991 5.569 4.403 1.00 . A A . 25 ALA CB 1 1 13 5962 1 1 26 ALA H H 5.246 4.123 2.030 1.00 . A A . 25 ALA H 1 1 13 5963 1 1 26 ALA HA H 6.237 6.808 2.698 1.00 . A A . 25 ALA HA 1 1 13 5964 1 1 26 ALA HB1 H 6.910 5.695 4.956 1.00 . A A . 25 ALA HB1 1 1 13 5965 1 1 26 ALA HB2 H 5.270 6.303 4.728 1.00 . A A . 25 ALA HB2 1 1 13 5966 1 1 26 ALA HB3 H 5.600 4.577 4.578 1.00 . A A . 25 ALA HB3 1 1 13 5967 1 1 26 ALA N N 5.229 5.097 2.129 1.00 . A A . 25 ALA N 1 1 13 5968 1 1 26 ALA O O 8.596 5.974 2.381 1.00 . A A . 25 ALA O 1 1 13 5969 1 1 27 CYS C C 8.966 2.623 0.746 1.00 . A A . 26 CYS C 1 1 13 5970 1 1 27 CYS CA C 9.020 3.246 2.138 1.00 . A A . 26 CYS CA 1 1 13 5971 1 1 27 CYS CB C 9.358 2.173 3.175 1.00 . A A . 26 CYS CB 1 1 13 5972 1 1 27 CYS H H 6.963 3.332 2.626 1.00 . A A . 26 CYS H 1 1 13 5973 1 1 27 CYS HA H 9.790 4.002 2.150 1.00 . A A . 26 CYS HA 1 1 13 5974 1 1 27 CYS HB2 H 10.400 1.906 3.079 1.00 . A A . 26 CYS HB2 1 1 13 5975 1 1 27 CYS HB3 H 9.185 2.572 4.163 1.00 . A A . 26 CYS HB3 1 1 13 5976 1 1 27 CYS N N 7.755 3.889 2.468 1.00 . A A . 26 CYS N 1 1 13 5977 1 1 27 CYS O O 9.992 2.232 0.190 1.00 . A A . 26 CYS O 1 1 13 5978 1 1 27 CYS SG S 8.379 0.646 3.012 1.00 . A A . 26 CYS SG 1 1 13 5979 1 1 28 GLU C C 7.806 0.452 -1.115 1.00 . A A . 27 GLU C 1 1 13 5980 1 1 28 GLU CA C 7.575 1.961 -1.139 1.00 . A A . 27 GLU CA 1 1 13 5981 1 1 28 GLU CB C 8.524 2.618 -2.142 1.00 . A A . 27 GLU CB 1 1 13 5982 1 1 28 GLU CD C 9.777 4.539 -1.084 1.00 . A A . 27 GLU CD 1 1 13 5983 1 1 28 GLU CG C 8.630 4.126 -1.984 1.00 . A A . 27 GLU CG 1 1 13 5984 1 1 28 GLU H H 6.982 2.865 0.682 1.00 . A A . 27 GLU H 1 1 13 5985 1 1 28 GLU HA H 6.557 2.152 -1.442 1.00 . A A . 27 GLU HA 1 1 13 5986 1 1 28 GLU HB2 H 9.511 2.194 -2.018 1.00 . A A . 27 GLU HB2 1 1 13 5987 1 1 28 GLU HB3 H 8.175 2.406 -3.142 1.00 . A A . 27 GLU HB3 1 1 13 5988 1 1 28 GLU HG2 H 8.778 4.568 -2.958 1.00 . A A . 27 GLU HG2 1 1 13 5989 1 1 28 GLU HG3 H 7.707 4.495 -1.560 1.00 . A A . 27 GLU HG3 1 1 13 5990 1 1 28 GLU N N 7.763 2.536 0.188 1.00 . A A . 27 GLU N 1 1 13 5991 1 1 28 GLU O O 8.372 -0.115 -2.050 1.00 . A A . 27 GLU O 1 1 13 5992 1 1 28 GLU OE1 O 10.937 4.218 -1.416 1.00 . A A . 27 GLU OE1 1 1 13 5993 1 1 28 GLU OE2 O 9.515 5.185 -0.048 1.00 . A A . 27 GLU OE2 1 1 13 5994 1 1 29 THR C C 6.541 -2.388 -0.776 1.00 . A A . 28 THR C 1 1 13 5995 1 1 29 THR CA C 7.525 -1.632 0.109 1.00 . A A . 28 THR CA 1 1 13 5996 1 1 29 THR CB C 7.326 -2.073 1.572 1.00 . A A . 28 THR CB 1 1 13 5997 1 1 29 THR CG2 C 6.424 -3.296 1.650 1.00 . A A . 28 THR CG2 1 1 13 5998 1 1 29 THR H H 6.923 0.317 0.672 1.00 . A A . 28 THR H 1 1 13 5999 1 1 29 THR HA H 8.532 -1.888 -0.189 1.00 . A A . 28 THR HA 1 1 13 6000 1 1 29 THR HB H 6.860 -1.264 2.115 1.00 . A A . 28 THR HB 1 1 13 6001 1 1 29 THR HG1 H 8.748 -3.316 2.141 1.00 . A A . 28 THR HG1 1 1 13 6002 1 1 29 THR HG21 H 6.780 -4.051 0.966 1.00 . A A . 28 THR HG21 1 1 13 6003 1 1 29 THR HG22 H 5.416 -3.016 1.385 1.00 . A A . 28 THR HG22 1 1 13 6004 1 1 29 THR HG23 H 6.436 -3.686 2.656 1.00 . A A . 28 THR HG23 1 1 13 6005 1 1 29 THR N N 7.366 -0.191 -0.038 1.00 . A A . 28 THR N 1 1 13 6006 1 1 29 THR O O 5.412 -1.954 -1.002 1.00 . A A . 28 THR O 1 1 13 6007 1 1 29 THR OG1 O 8.593 -2.369 2.170 1.00 . A A . 28 THR OG1 1 1 13 6008 1 1 30 PRO C C 4.995 -5.044 -1.402 1.00 . A A . 29 PRO C 1 1 13 6009 1 1 30 PRO CA C 6.147 -4.391 -2.158 1.00 . A A . 29 PRO CA 1 1 13 6010 1 1 30 PRO CB C 7.127 -5.452 -2.663 1.00 . A A . 29 PRO CB 1 1 13 6011 1 1 30 PRO CD C 8.311 -4.128 -1.063 1.00 . A A . 29 PRO CD 1 1 13 6012 1 1 30 PRO CG C 8.184 -5.521 -1.616 1.00 . A A . 29 PRO CG 1 1 13 6013 1 1 30 PRO HA H 5.756 -3.832 -2.996 1.00 . A A . 29 PRO HA 1 1 13 6014 1 1 30 PRO HB2 H 6.613 -6.398 -2.769 1.00 . A A . 29 PRO HB2 1 1 13 6015 1 1 30 PRO HB3 H 7.534 -5.147 -3.615 1.00 . A A . 29 PRO HB3 1 1 13 6016 1 1 30 PRO HD2 H 8.544 -4.160 -0.009 1.00 . A A . 29 PRO HD2 1 1 13 6017 1 1 30 PRO HD3 H 9.067 -3.575 -1.602 1.00 . A A . 29 PRO HD3 1 1 13 6018 1 1 30 PRO HG2 H 7.887 -6.207 -0.837 1.00 . A A . 29 PRO HG2 1 1 13 6019 1 1 30 PRO HG3 H 9.119 -5.835 -2.057 1.00 . A A . 29 PRO HG3 1 1 13 6020 1 1 30 PRO N N 6.976 -3.548 -1.290 1.00 . A A . 29 PRO N 1 1 13 6021 1 1 30 PRO O O 5.205 -5.941 -0.585 1.00 . A A . 29 PRO O 1 1 13 6022 1 1 31 LYS C C 2.631 -6.656 -1.008 1.00 . A A . 30 LYS C 1 1 13 6023 1 1 31 LYS CA C 2.592 -5.132 -1.030 1.00 . A A . 30 LYS CA 1 1 13 6024 1 1 31 LYS CB C 1.327 -4.654 -1.747 1.00 . A A . 30 LYS CB 1 1 13 6025 1 1 31 LYS CD C -1.037 -5.282 -2.316 1.00 . A A . 30 LYS CD 1 1 13 6026 1 1 31 LYS CE C -2.350 -4.792 -1.726 1.00 . A A . 30 LYS CE 1 1 13 6027 1 1 31 LYS CG C 0.059 -5.337 -1.265 1.00 . A A . 30 LYS CG 1 1 13 6028 1 1 31 LYS H H 3.675 -3.874 -2.342 1.00 . A A . 30 LYS H 1 1 13 6029 1 1 31 LYS HA H 2.577 -4.770 -0.012 1.00 . A A . 30 LYS HA 1 1 13 6030 1 1 31 LYS HB2 H 1.219 -3.591 -1.591 1.00 . A A . 30 LYS HB2 1 1 13 6031 1 1 31 LYS HB3 H 1.435 -4.845 -2.805 1.00 . A A . 30 LYS HB3 1 1 13 6032 1 1 31 LYS HD2 H -0.736 -4.607 -3.103 1.00 . A A . 30 LYS HD2 1 1 13 6033 1 1 31 LYS HD3 H -1.184 -6.272 -2.723 1.00 . A A . 30 LYS HD3 1 1 13 6034 1 1 31 LYS HE2 H -2.749 -5.559 -1.080 1.00 . A A . 30 LYS HE2 1 1 13 6035 1 1 31 LYS HE3 H -2.159 -3.899 -1.148 1.00 . A A . 30 LYS HE3 1 1 13 6036 1 1 31 LYS HG2 H 0.280 -6.372 -1.046 1.00 . A A . 30 LYS HG2 1 1 13 6037 1 1 31 LYS HG3 H -0.288 -4.842 -0.370 1.00 . A A . 30 LYS HG3 1 1 13 6038 1 1 31 LYS HZ1 H -3.594 -3.467 -2.757 1.00 . A A . 30 LYS HZ1 1 1 13 6039 1 1 31 LYS HZ2 H -4.218 -5.034 -2.630 1.00 . A A . 30 LYS HZ2 1 1 13 6040 1 1 31 LYS HZ3 H -2.965 -4.709 -3.720 1.00 . A A . 30 LYS HZ3 1 1 13 6041 1 1 31 LYS N N 3.778 -4.590 -1.681 1.00 . A A . 30 LYS N 1 1 13 6042 1 1 31 LYS NZ N -3.351 -4.480 -2.783 1.00 . A A . 30 LYS NZ 1 1 13 6043 1 1 31 LYS O O 3.082 -7.303 -1.953 1.00 . A A . 30 LYS O 1 1 13 6044 1 1 32 PRO C C 1.099 -9.370 -0.657 1.00 . A A . 31 PRO C 1 1 13 6045 1 1 32 PRO CA C 2.113 -8.702 0.265 1.00 . A A . 31 PRO CA 1 1 13 6046 1 1 32 PRO CB C 1.702 -8.879 1.729 1.00 . A A . 31 PRO CB 1 1 13 6047 1 1 32 PRO CD C 1.591 -6.537 1.261 1.00 . A A . 31 PRO CD 1 1 13 6048 1 1 32 PRO CG C 0.953 -7.636 2.065 1.00 . A A . 31 PRO CG 1 1 13 6049 1 1 32 PRO HA H 3.086 -9.142 0.107 1.00 . A A . 31 PRO HA 1 1 13 6050 1 1 32 PRO HB2 H 1.078 -9.756 1.827 1.00 . A A . 31 PRO HB2 1 1 13 6051 1 1 32 PRO HB3 H 2.584 -8.987 2.344 1.00 . A A . 31 PRO HB3 1 1 13 6052 1 1 32 PRO HD2 H 0.850 -5.814 0.955 1.00 . A A . 31 PRO HD2 1 1 13 6053 1 1 32 PRO HD3 H 2.375 -6.060 1.830 1.00 . A A . 31 PRO HD3 1 1 13 6054 1 1 32 PRO HG2 H -0.085 -7.747 1.791 1.00 . A A . 31 PRO HG2 1 1 13 6055 1 1 32 PRO HG3 H 1.044 -7.428 3.121 1.00 . A A . 31 PRO HG3 1 1 13 6056 1 1 32 PRO N N 2.146 -7.246 0.095 1.00 . A A . 31 PRO N 1 1 13 6057 1 1 32 PRO O O 0.930 -8.923 -1.790 1.00 . A A . 31 PRO O 1 1 13 6058 2 2 1 ZN ZN ZN 6.606 0.767 4.625 1.00 . B A . 32 ZN ZN 1 1 14 6059 1 1 2 HIS C C -18.456 -2.574 -1.601 1.00 . A A . 1 HIS C 1 1 14 6060 1 1 2 HIS CA C -19.779 -2.993 -0.970 1.00 . A A . 1 HIS CA 1 1 14 6061 1 1 2 HIS CB C -19.651 -4.392 -0.367 1.00 . A A . 1 HIS CB 1 1 14 6062 1 1 2 HIS CD2 C -21.984 -4.905 0.643 1.00 . A A . 1 HIS CD2 1 1 14 6063 1 1 2 HIS CE1 C -21.403 -5.006 2.755 1.00 . A A . 1 HIS CE1 1 1 14 6064 1 1 2 HIS CG C -20.652 -4.676 0.710 1.00 . A A . 1 HIS CG 1 1 14 6065 1 1 2 HIS H H -20.685 -3.293 -2.860 1.00 . A A . 1 HIS H 1 1 14 6066 1 1 2 HIS HA H -20.027 -2.294 -0.186 1.00 . A A . 1 HIS HA 1 1 14 6067 1 1 2 HIS HB2 H -19.788 -5.127 -1.148 1.00 . A A . 1 HIS HB2 1 1 14 6068 1 1 2 HIS HB3 H -18.664 -4.505 0.057 1.00 . A A . 1 HIS HB3 1 1 14 6069 1 1 2 HIS HD1 H -19.422 -4.620 2.420 1.00 . A A . 1 HIS HD1 1 1 14 6070 1 1 2 HIS HD2 H -22.587 -4.927 -0.253 1.00 . A A . 1 HIS HD2 1 1 14 6071 1 1 2 HIS HE1 H -21.446 -5.117 3.828 1.00 . A A . 1 HIS HE1 1 1 14 6072 1 1 2 HIS N N -20.856 -2.962 -1.953 1.00 . A A . 1 HIS N 1 1 14 6073 1 1 2 HIS ND1 N -20.319 -4.744 2.047 1.00 . A A . 1 HIS ND1 1 1 14 6074 1 1 2 HIS NE2 N -22.427 -5.108 1.927 1.00 . A A . 1 HIS NE2 1 1 14 6075 1 1 2 HIS O O -18.067 -3.087 -2.650 1.00 . A A . 1 HIS O 1 1 14 6076 1 1 3 MET C C -15.340 -1.632 -0.568 1.00 . A A . 2 MET C 1 1 14 6077 1 1 3 MET CA C -16.487 -1.151 -1.453 1.00 . A A . 2 MET CA 1 1 14 6078 1 1 3 MET CB C -16.489 0.378 -1.519 1.00 . A A . 2 MET CB 1 1 14 6079 1 1 3 MET CE C -19.011 1.145 -4.749 1.00 . A A . 2 MET CE 1 1 14 6080 1 1 3 MET CG C -17.619 0.948 -2.361 1.00 . A A . 2 MET CG 1 1 14 6081 1 1 3 MET H H -18.129 -1.267 -0.123 1.00 . A A . 2 MET H 1 1 14 6082 1 1 3 MET HA H -16.347 -1.545 -2.449 1.00 . A A . 2 MET HA 1 1 14 6083 1 1 3 MET HB2 H -16.582 0.769 -0.517 1.00 . A A . 2 MET HB2 1 1 14 6084 1 1 3 MET HB3 H -15.552 0.710 -1.942 1.00 . A A . 2 MET HB3 1 1 14 6085 1 1 3 MET HE1 H -19.353 1.983 -4.158 1.00 . A A . 2 MET HE1 1 1 14 6086 1 1 3 MET HE2 H -18.893 1.454 -5.777 1.00 . A A . 2 MET HE2 1 1 14 6087 1 1 3 MET HE3 H -19.736 0.346 -4.694 1.00 . A A . 2 MET HE3 1 1 14 6088 1 1 3 MET HG2 H -18.554 0.533 -2.013 1.00 . A A . 2 MET HG2 1 1 14 6089 1 1 3 MET HG3 H -17.635 2.020 -2.237 1.00 . A A . 2 MET HG3 1 1 14 6090 1 1 3 MET N N -17.768 -1.639 -0.955 1.00 . A A . 2 MET N 1 1 14 6091 1 1 3 MET O O -15.350 -1.423 0.644 1.00 . A A . 2 MET O 1 1 14 6092 1 1 3 MET SD S -17.438 0.570 -4.114 1.00 . A A . 2 MET SD 1 1 14 6093 1 1 4 VAL C C -12.788 -1.828 0.659 1.00 . A A . 3 VAL C 1 1 14 6094 1 1 4 VAL CA C -13.201 -2.786 -0.451 1.00 . A A . 3 VAL CA 1 1 14 6095 1 1 4 VAL CB C -12.000 -3.018 -1.387 1.00 . A A . 3 VAL CB 1 1 14 6096 1 1 4 VAL CG1 C -12.068 -4.403 -2.012 1.00 . A A . 3 VAL CG1 1 1 14 6097 1 1 4 VAL CG2 C -11.947 -1.942 -2.461 1.00 . A A . 3 VAL CG2 1 1 14 6098 1 1 4 VAL H H -14.404 -2.413 -2.152 1.00 . A A . 3 VAL H 1 1 14 6099 1 1 4 VAL HA H -13.476 -3.734 -0.012 1.00 . A A . 3 VAL HA 1 1 14 6100 1 1 4 VAL HB H -11.095 -2.957 -0.800 1.00 . A A . 3 VAL HB 1 1 14 6101 1 1 4 VAL HG11 H -11.535 -4.402 -2.951 1.00 . A A . 3 VAL HG11 1 1 14 6102 1 1 4 VAL HG12 H -11.621 -5.123 -1.343 1.00 . A A . 3 VAL HG12 1 1 14 6103 1 1 4 VAL HG13 H -13.102 -4.668 -2.187 1.00 . A A . 3 VAL HG13 1 1 14 6104 1 1 4 VAL HG21 H -12.301 -2.350 -3.397 1.00 . A A . 3 VAL HG21 1 1 14 6105 1 1 4 VAL HG22 H -12.574 -1.111 -2.171 1.00 . A A . 3 VAL HG22 1 1 14 6106 1 1 4 VAL HG23 H -10.929 -1.601 -2.579 1.00 . A A . 3 VAL HG23 1 1 14 6107 1 1 4 VAL N N -14.355 -2.277 -1.184 1.00 . A A . 3 VAL N 1 1 14 6108 1 1 4 VAL O O -12.119 -0.825 0.411 1.00 . A A . 3 VAL O 1 1 14 6109 1 1 5 ILE C C -11.878 -2.017 3.962 1.00 . A A . 4 ILE C 1 1 14 6110 1 1 5 ILE CA C -12.861 -1.311 3.036 1.00 . A A . 4 ILE CA 1 1 14 6111 1 1 5 ILE CB C -14.121 -0.931 3.836 1.00 . A A . 4 ILE CB 1 1 14 6112 1 1 5 ILE CD1 C -14.906 0.512 5.780 1.00 . A A . 4 ILE CD1 1 1 14 6113 1 1 5 ILE CG1 C -13.735 -0.166 5.104 1.00 . A A . 4 ILE CG1 1 1 14 6114 1 1 5 ILE CG2 C -14.921 -2.177 4.186 1.00 . A A . 4 ILE CG2 1 1 14 6115 1 1 5 ILE H H -13.722 -2.955 2.021 1.00 . A A . 4 ILE H 1 1 14 6116 1 1 5 ILE HA H -12.405 -0.402 2.670 1.00 . A A . 4 ILE HA 1 1 14 6117 1 1 5 ILE HB H -14.737 -0.299 3.216 1.00 . A A . 4 ILE HB 1 1 14 6118 1 1 5 ILE HD11 H -14.702 1.567 5.881 1.00 . A A . 4 ILE HD11 1 1 14 6119 1 1 5 ILE HD12 H -15.797 0.371 5.187 1.00 . A A . 4 ILE HD12 1 1 14 6120 1 1 5 ILE HD13 H -15.055 0.080 6.760 1.00 . A A . 4 ILE HD13 1 1 14 6121 1 1 5 ILE HG12 H -13.297 -0.853 5.812 1.00 . A A . 4 ILE HG12 1 1 14 6122 1 1 5 ILE HG13 H -13.011 0.594 4.850 1.00 . A A . 4 ILE HG13 1 1 14 6123 1 1 5 ILE HG21 H -15.841 -2.185 3.619 1.00 . A A . 4 ILE HG21 1 1 14 6124 1 1 5 ILE HG22 H -14.343 -3.056 3.943 1.00 . A A . 4 ILE HG22 1 1 14 6125 1 1 5 ILE HG23 H -15.149 -2.175 5.240 1.00 . A A . 4 ILE HG23 1 1 14 6126 1 1 5 ILE N N -13.191 -2.143 1.885 1.00 . A A . 4 ILE N 1 1 14 6127 1 1 5 ILE O O -12.266 -2.857 4.774 1.00 . A A . 4 ILE O 1 1 14 6128 1 1 6 GLY C C -8.286 -1.490 4.674 1.00 . A A . 5 GLY C 1 1 14 6129 1 1 6 GLY CA C -9.580 -2.279 4.670 1.00 . A A . 5 GLY CA 1 1 14 6130 1 1 6 GLY H H -10.348 -0.994 3.172 1.00 . A A . 5 GLY H 1 1 14 6131 1 1 6 GLY HA2 H -9.951 -2.348 5.682 1.00 . A A . 5 GLY HA2 1 1 14 6132 1 1 6 GLY HA3 H -9.379 -3.275 4.303 1.00 . A A . 5 GLY HA3 1 1 14 6133 1 1 6 GLY N N -10.600 -1.670 3.837 1.00 . A A . 5 GLY N 1 1 14 6134 1 1 6 GLY O O -8.262 -0.321 4.286 1.00 . A A . 5 GLY O 1 1 14 6135 1 1 7 THR C C -4.845 -2.414 5.739 1.00 . A A . 6 THR C 1 1 14 6136 1 1 7 THR CA C -5.905 -1.476 5.173 1.00 . A A . 6 THR CA 1 1 14 6137 1 1 7 THR CB C -5.952 -0.197 6.031 1.00 . A A . 6 THR CB 1 1 14 6138 1 1 7 THR CG2 C -6.220 1.025 5.166 1.00 . A A . 6 THR CG2 1 1 14 6139 1 1 7 THR H H -7.290 -3.057 5.412 1.00 . A A . 6 THR H 1 1 14 6140 1 1 7 THR HA H -5.626 -1.199 4.166 1.00 . A A . 6 THR HA 1 1 14 6141 1 1 7 THR HB H -4.995 -0.073 6.518 1.00 . A A . 6 THR HB 1 1 14 6142 1 1 7 THR HG1 H -6.872 0.389 7.674 1.00 . A A . 6 THR HG1 1 1 14 6143 1 1 7 THR HG21 H -6.331 0.720 4.136 1.00 . A A . 6 THR HG21 1 1 14 6144 1 1 7 THR HG22 H -5.394 1.714 5.251 1.00 . A A . 6 THR HG22 1 1 14 6145 1 1 7 THR HG23 H -7.127 1.508 5.497 1.00 . A A . 6 THR HG23 1 1 14 6146 1 1 7 THR N N -7.207 -2.127 5.117 1.00 . A A . 6 THR N 1 1 14 6147 1 1 7 THR O O -5.132 -3.241 6.603 1.00 . A A . 6 THR O 1 1 14 6148 1 1 7 THR OG1 O -6.972 -0.315 7.029 1.00 . A A . 6 THR OG1 1 1 14 6149 1 1 8 TRP C C -1.370 -2.262 6.236 1.00 . A A . 7 TRP C 1 1 14 6150 1 1 8 TRP CA C -2.515 -3.116 5.703 1.00 . A A . 7 TRP CA 1 1 14 6151 1 1 8 TRP CB C -2.017 -4.006 4.564 1.00 . A A . 7 TRP CB 1 1 14 6152 1 1 8 TRP CD1 C -2.670 -2.775 2.413 1.00 . A A . 7 TRP CD1 1 1 14 6153 1 1 8 TRP CD2 C -0.463 -2.893 2.771 1.00 . A A . 7 TRP CD2 1 1 14 6154 1 1 8 TRP CE2 C -0.687 -2.197 1.567 1.00 . A A . 7 TRP CE2 1 1 14 6155 1 1 8 TRP CE3 C 0.852 -3.088 3.202 1.00 . A A . 7 TRP CE3 1 1 14 6156 1 1 8 TRP CG C -1.745 -3.253 3.296 1.00 . A A . 7 TRP CG 1 1 14 6157 1 1 8 TRP CH2 C 1.634 -1.906 1.236 1.00 . A A . 7 TRP CH2 1 1 14 6158 1 1 8 TRP CZ2 C 0.357 -1.700 0.790 1.00 . A A . 7 TRP CZ2 1 1 14 6159 1 1 8 TRP CZ3 C 1.887 -2.595 2.429 1.00 . A A . 7 TRP CZ3 1 1 14 6160 1 1 8 TRP H H -3.451 -1.602 4.557 1.00 . A A . 7 TRP H 1 1 14 6161 1 1 8 TRP HA H -2.884 -3.743 6.502 1.00 . A A . 7 TRP HA 1 1 14 6162 1 1 8 TRP HB2 H -1.099 -4.489 4.867 1.00 . A A . 7 TRP HB2 1 1 14 6163 1 1 8 TRP HB3 H -2.762 -4.758 4.352 1.00 . A A . 7 TRP HB3 1 1 14 6164 1 1 8 TRP HD1 H -3.737 -2.889 2.529 1.00 . A A . 7 TRP HD1 1 1 14 6165 1 1 8 TRP HE1 H -2.489 -1.713 0.609 1.00 . A A . 7 TRP HE1 1 1 14 6166 1 1 8 TRP HE3 H 1.067 -3.617 4.119 1.00 . A A . 7 TRP HE3 1 1 14 6167 1 1 8 TRP HH2 H 2.473 -1.538 0.664 1.00 . A A . 7 TRP HH2 1 1 14 6168 1 1 8 TRP HZ2 H 0.179 -1.166 -0.132 1.00 . A A . 7 TRP HZ2 1 1 14 6169 1 1 8 TRP HZ3 H 2.909 -2.737 2.746 1.00 . A A . 7 TRP HZ3 1 1 14 6170 1 1 8 TRP N N -3.618 -2.279 5.245 1.00 . A A . 7 TRP N 1 1 14 6171 1 1 8 TRP NE1 N -2.041 -2.140 1.370 1.00 . A A . 7 TRP NE1 1 1 14 6172 1 1 8 TRP O O -1.050 -1.214 5.675 1.00 . A A . 7 TRP O 1 1 14 6173 1 1 9 ASP C C 1.692 -2.595 7.505 1.00 . A A . 8 ASP C 1 1 14 6174 1 1 9 ASP CA C 0.357 -1.995 7.931 1.00 . A A . 8 ASP CA 1 1 14 6175 1 1 9 ASP CB C 0.235 -2.020 9.456 1.00 . A A . 8 ASP CB 1 1 14 6176 1 1 9 ASP CG C -1.184 -1.767 9.927 1.00 . A A . 8 ASP CG 1 1 14 6177 1 1 9 ASP H H -1.055 -3.560 7.725 1.00 . A A . 8 ASP H 1 1 14 6178 1 1 9 ASP HA H 0.312 -0.971 7.592 1.00 . A A . 8 ASP HA 1 1 14 6179 1 1 9 ASP HB2 H 0.549 -2.987 9.820 1.00 . A A . 8 ASP HB2 1 1 14 6180 1 1 9 ASP HB3 H 0.875 -1.257 9.873 1.00 . A A . 8 ASP HB3 1 1 14 6181 1 1 9 ASP N N -0.755 -2.717 7.322 1.00 . A A . 8 ASP N 1 1 14 6182 1 1 9 ASP O O 1.789 -3.791 7.230 1.00 . A A . 8 ASP O 1 1 14 6183 1 1 9 ASP OD1 O -2.079 -2.561 9.568 1.00 . A A . 8 ASP OD1 1 1 14 6184 1 1 9 ASP OD2 O -1.399 -0.778 10.657 1.00 . A A . 8 ASP OD2 1 1 14 6185 1 1 10 CYS C C 4.697 -3.035 8.164 1.00 . A A . 9 CYS C 1 1 14 6186 1 1 10 CYS CA C 4.053 -2.203 7.059 1.00 . A A . 9 CYS CA 1 1 14 6187 1 1 10 CYS CB C 4.940 -1.000 6.728 1.00 . A A . 9 CYS CB 1 1 14 6188 1 1 10 CYS H H 2.583 -0.813 7.683 1.00 . A A . 9 CYS H 1 1 14 6189 1 1 10 CYS HA H 3.950 -2.816 6.176 1.00 . A A . 9 CYS HA 1 1 14 6190 1 1 10 CYS HB2 H 4.335 -0.235 6.263 1.00 . A A . 9 CYS HB2 1 1 14 6191 1 1 10 CYS HB3 H 5.362 -0.612 7.643 1.00 . A A . 9 CYS HB3 1 1 14 6192 1 1 10 CYS N N 2.722 -1.756 7.453 1.00 . A A . 9 CYS N 1 1 14 6193 1 1 10 CYS O O 4.152 -3.155 9.262 1.00 . A A . 9 CYS O 1 1 14 6194 1 1 10 CYS SG S 6.316 -1.380 5.597 1.00 . A A . 9 CYS SG 1 1 14 6195 1 1 11 ASP C C 8.041 -4.006 8.921 1.00 . A A . 10 ASP C 1 1 14 6196 1 1 11 ASP CA C 6.577 -4.427 8.833 1.00 . A A . 10 ASP CA 1 1 14 6197 1 1 11 ASP CB C 6.482 -5.906 8.452 1.00 . A A . 10 ASP CB 1 1 14 6198 1 1 11 ASP CG C 6.633 -6.823 9.650 1.00 . A A . 10 ASP CG 1 1 14 6199 1 1 11 ASP H H 6.240 -3.474 6.972 1.00 . A A . 10 ASP H 1 1 14 6200 1 1 11 ASP HA H 6.115 -4.283 9.798 1.00 . A A . 10 ASP HA 1 1 14 6201 1 1 11 ASP HB2 H 5.519 -6.092 7.999 1.00 . A A . 10 ASP HB2 1 1 14 6202 1 1 11 ASP HB3 H 7.261 -6.139 7.742 1.00 . A A . 10 ASP HB3 1 1 14 6203 1 1 11 ASP N N 5.858 -3.607 7.865 1.00 . A A . 10 ASP N 1 1 14 6204 1 1 11 ASP O O 8.816 -4.570 9.694 1.00 . A A . 10 ASP O 1 1 14 6205 1 1 11 ASP OD1 O 7.637 -6.684 10.380 1.00 . A A . 10 ASP OD1 1 1 14 6206 1 1 11 ASP OD2 O 5.747 -7.678 9.857 1.00 . A A . 10 ASP OD2 1 1 14 6207 1 1 12 THR C C 9.844 -1.050 8.533 1.00 . A A . 11 THR C 1 1 14 6208 1 1 12 THR CA C 9.784 -2.514 8.110 1.00 . A A . 11 THR CA 1 1 14 6209 1 1 12 THR CB C 10.420 -2.658 6.714 1.00 . A A . 11 THR CB 1 1 14 6210 1 1 12 THR CG2 C 11.628 -1.745 6.573 1.00 . A A . 11 THR CG2 1 1 14 6211 1 1 12 THR H H 7.750 -2.599 7.530 1.00 . A A . 11 THR H 1 1 14 6212 1 1 12 THR HA H 10.360 -3.104 8.807 1.00 . A A . 11 THR HA 1 1 14 6213 1 1 12 THR HB H 9.687 -2.379 5.971 1.00 . A A . 11 THR HB 1 1 14 6214 1 1 12 THR HG1 H 11.343 -4.321 7.235 1.00 . A A . 11 THR HG1 1 1 14 6215 1 1 12 THR HG21 H 11.328 -0.822 6.101 1.00 . A A . 11 THR HG21 1 1 14 6216 1 1 12 THR HG22 H 12.378 -2.232 5.967 1.00 . A A . 11 THR HG22 1 1 14 6217 1 1 12 THR HG23 H 12.035 -1.534 7.550 1.00 . A A . 11 THR HG23 1 1 14 6218 1 1 12 THR N N 8.413 -3.009 8.123 1.00 . A A . 11 THR N 1 1 14 6219 1 1 12 THR O O 10.558 -0.692 9.470 1.00 . A A . 11 THR O 1 1 14 6220 1 1 12 THR OG1 O 10.814 -4.017 6.494 1.00 . A A . 11 THR OG1 1 1 14 6221 1 1 13 CYS C C 7.904 1.546 9.091 1.00 . A A . 12 CYS C 1 1 14 6222 1 1 13 CYS CA C 9.054 1.219 8.141 1.00 . A A . 12 CYS CA 1 1 14 6223 1 1 13 CYS CB C 8.913 2.033 6.854 1.00 . A A . 12 CYS CB 1 1 14 6224 1 1 13 CYS H H 8.539 -0.551 7.102 1.00 . A A . 12 CYS H 1 1 14 6225 1 1 13 CYS HA H 9.985 1.478 8.621 1.00 . A A . 12 CYS HA 1 1 14 6226 1 1 13 CYS HB2 H 9.404 2.986 6.985 1.00 . A A . 12 CYS HB2 1 1 14 6227 1 1 13 CYS HB3 H 9.389 1.497 6.046 1.00 . A A . 12 CYS HB3 1 1 14 6228 1 1 13 CYS N N 9.088 -0.207 7.837 1.00 . A A . 12 CYS N 1 1 14 6229 1 1 13 CYS O O 7.885 2.606 9.718 1.00 . A A . 12 CYS O 1 1 14 6230 1 1 13 CYS SG S 7.190 2.360 6.365 1.00 . A A . 12 CYS SG 1 1 14 6231 1 1 14 LEU C C 4.893 1.930 9.540 1.00 . A A . 13 LEU C 1 1 14 6232 1 1 14 LEU CA C 5.795 0.818 10.064 1.00 . A A . 13 LEU CA 1 1 14 6233 1 1 14 LEU CB C 6.255 1.145 11.486 1.00 . A A . 13 LEU CB 1 1 14 6234 1 1 14 LEU CD1 C 7.908 0.901 13.354 1.00 . A A . 13 LEU CD1 1 1 14 6235 1 1 14 LEU CD2 C 7.248 -1.098 12.004 1.00 . A A . 13 LEU CD2 1 1 14 6236 1 1 14 LEU CG C 7.498 0.403 11.977 1.00 . A A . 13 LEU CG 1 1 14 6237 1 1 14 LEU H H 7.020 -0.196 8.667 1.00 . A A . 13 LEU H 1 1 14 6238 1 1 14 LEU HA H 5.236 -0.106 10.079 1.00 . A A . 13 LEU HA 1 1 14 6239 1 1 14 LEU HB2 H 6.462 2.203 11.530 1.00 . A A . 13 LEU HB2 1 1 14 6240 1 1 14 LEU HB3 H 5.441 0.911 12.157 1.00 . A A . 13 LEU HB3 1 1 14 6241 1 1 14 LEU HD11 H 8.339 0.088 13.918 1.00 . A A . 13 LEU HD11 1 1 14 6242 1 1 14 LEU HD12 H 7.040 1.280 13.873 1.00 . A A . 13 LEU HD12 1 1 14 6243 1 1 14 LEU HD13 H 8.637 1.692 13.248 1.00 . A A . 13 LEU HD13 1 1 14 6244 1 1 14 LEU HD21 H 7.937 -1.589 11.332 1.00 . A A . 13 LEU HD21 1 1 14 6245 1 1 14 LEU HD22 H 6.234 -1.299 11.690 1.00 . A A . 13 LEU HD22 1 1 14 6246 1 1 14 LEU HD23 H 7.396 -1.469 13.007 1.00 . A A . 13 LEU HD23 1 1 14 6247 1 1 14 LEU HG H 8.317 0.594 11.296 1.00 . A A . 13 LEU HG 1 1 14 6248 1 1 14 LEU N N 6.949 0.629 9.191 1.00 . A A . 13 LEU N 1 1 14 6249 1 1 14 LEU O O 4.933 3.059 10.030 1.00 . A A . 13 LEU O 1 1 14 6250 1 1 15 VAL C C 1.942 1.885 7.353 1.00 . A A . 14 VAL C 1 1 14 6251 1 1 15 VAL CA C 3.163 2.574 7.954 1.00 . A A . 14 VAL CA 1 1 14 6252 1 1 15 VAL CB C 3.856 3.409 6.861 1.00 . A A . 14 VAL CB 1 1 14 6253 1 1 15 VAL CG1 C 2.845 4.280 6.132 1.00 . A A . 14 VAL CG1 1 1 14 6254 1 1 15 VAL CG2 C 4.965 4.258 7.465 1.00 . A A . 14 VAL CG2 1 1 14 6255 1 1 15 VAL H H 4.091 0.687 8.195 1.00 . A A . 14 VAL H 1 1 14 6256 1 1 15 VAL HA H 2.836 3.243 8.737 1.00 . A A . 14 VAL HA 1 1 14 6257 1 1 15 VAL HB H 4.298 2.732 6.146 1.00 . A A . 14 VAL HB 1 1 14 6258 1 1 15 VAL HG11 H 2.788 3.975 5.097 1.00 . A A . 14 VAL HG11 1 1 14 6259 1 1 15 VAL HG12 H 1.874 4.170 6.594 1.00 . A A . 14 VAL HG12 1 1 14 6260 1 1 15 VAL HG13 H 3.154 5.313 6.185 1.00 . A A . 14 VAL HG13 1 1 14 6261 1 1 15 VAL HG21 H 5.637 3.625 8.025 1.00 . A A . 14 VAL HG21 1 1 14 6262 1 1 15 VAL HG22 H 5.512 4.751 6.674 1.00 . A A . 14 VAL HG22 1 1 14 6263 1 1 15 VAL HG23 H 4.536 4.999 8.122 1.00 . A A . 14 VAL HG23 1 1 14 6264 1 1 15 VAL N N 4.077 1.603 8.542 1.00 . A A . 14 VAL N 1 1 14 6265 1 1 15 VAL O O 2.062 0.847 6.702 1.00 . A A . 14 VAL O 1 1 14 6266 1 1 16 GLN C C -0.693 2.328 5.607 1.00 . A A . 15 GLN C 1 1 14 6267 1 1 16 GLN CA C -0.473 1.909 7.057 1.00 . A A . 15 GLN CA 1 1 14 6268 1 1 16 GLN CB C -1.657 2.359 7.915 1.00 . A A . 15 GLN CB 1 1 14 6269 1 1 16 GLN CD C -2.555 2.363 10.277 1.00 . A A . 15 GLN CD 1 1 14 6270 1 1 16 GLN CG C -1.786 1.592 9.222 1.00 . A A . 15 GLN CG 1 1 14 6271 1 1 16 GLN H H 0.739 3.294 8.102 1.00 . A A . 15 GLN H 1 1 14 6272 1 1 16 GLN HA H -0.396 0.834 7.100 1.00 . A A . 15 GLN HA 1 1 14 6273 1 1 16 GLN HB2 H -1.542 3.407 8.147 1.00 . A A . 15 GLN HB2 1 1 14 6274 1 1 16 GLN HB3 H -2.567 2.222 7.351 1.00 . A A . 15 GLN HB3 1 1 14 6275 1 1 16 GLN HE21 H -1.498 1.492 11.717 1.00 . A A . 15 GLN HE21 1 1 14 6276 1 1 16 GLN HE22 H -2.696 2.621 12.243 1.00 . A A . 15 GLN HE22 1 1 14 6277 1 1 16 GLN HG2 H -2.303 0.663 9.030 1.00 . A A . 15 GLN HG2 1 1 14 6278 1 1 16 GLN HG3 H -0.797 1.382 9.599 1.00 . A A . 15 GLN HG3 1 1 14 6279 1 1 16 GLN N N 0.770 2.469 7.576 1.00 . A A . 15 GLN N 1 1 14 6280 1 1 16 GLN NE2 N -2.216 2.136 11.540 1.00 . A A . 15 GLN NE2 1 1 14 6281 1 1 16 GLN O O -0.261 3.401 5.187 1.00 . A A . 15 GLN O 1 1 14 6282 1 1 16 GLN OE1 O -3.443 3.155 9.959 1.00 . A A . 15 GLN OE1 1 1 14 6283 1 1 17 ASN C C -2.977 1.141 3.016 1.00 . A A . 16 ASN C 1 1 14 6284 1 1 17 ASN CA C -1.645 1.754 3.442 1.00 . A A . 16 ASN CA 1 1 14 6285 1 1 17 ASN CB C -0.517 1.213 2.559 1.00 . A A . 16 ASN CB 1 1 14 6286 1 1 17 ASN CG C 0.827 1.236 3.260 1.00 . A A . 16 ASN CG 1 1 14 6287 1 1 17 ASN H H -1.687 0.633 5.237 1.00 . A A . 16 ASN H 1 1 14 6288 1 1 17 ASN HA H -1.700 2.825 3.322 1.00 . A A . 16 ASN HA 1 1 14 6289 1 1 17 ASN HB2 H -0.742 0.191 2.286 1.00 . A A . 16 ASN HB2 1 1 14 6290 1 1 17 ASN HB3 H -0.448 1.813 1.665 1.00 . A A . 16 ASN HB3 1 1 14 6291 1 1 17 ASN HD21 H 0.234 -0.202 4.500 1.00 . A A . 16 ASN HD21 1 1 14 6292 1 1 17 ASN HD22 H 1.843 0.380 4.739 1.00 . A A . 16 ASN HD22 1 1 14 6293 1 1 17 ASN N N -1.368 1.473 4.846 1.00 . A A . 16 ASN N 1 1 14 6294 1 1 17 ASN ND2 N 0.984 0.385 4.268 1.00 . A A . 16 ASN ND2 1 1 14 6295 1 1 17 ASN O O -3.430 0.152 3.592 1.00 . A A . 16 ASN O 1 1 14 6296 1 1 17 ASN OD1 O 1.714 2.010 2.900 1.00 . A A . 16 ASN OD1 1 1 14 6297 1 1 18 LYS C C -4.705 -0.078 0.771 1.00 . A A . 17 LYS C 1 1 14 6298 1 1 18 LYS CA C -4.877 1.250 1.500 1.00 . A A . 17 LYS CA 1 1 14 6299 1 1 18 LYS CB C -5.503 2.283 0.560 1.00 . A A . 17 LYS CB 1 1 14 6300 1 1 18 LYS CD C -5.674 3.191 -1.777 1.00 . A A . 17 LYS CD 1 1 14 6301 1 1 18 LYS CE C -5.109 3.143 -3.188 1.00 . A A . 17 LYS CE 1 1 14 6302 1 1 18 LYS CG C -4.913 2.269 -0.839 1.00 . A A . 17 LYS CG 1 1 14 6303 1 1 18 LYS H H -3.187 2.522 1.586 1.00 . A A . 17 LYS H 1 1 14 6304 1 1 18 LYS HA H -5.533 1.101 2.345 1.00 . A A . 17 LYS HA 1 1 14 6305 1 1 18 LYS HB2 H -6.563 2.087 0.483 1.00 . A A . 17 LYS HB2 1 1 14 6306 1 1 18 LYS HB3 H -5.358 3.269 0.978 1.00 . A A . 17 LYS HB3 1 1 14 6307 1 1 18 LYS HD2 H -6.710 2.884 -1.805 1.00 . A A . 17 LYS HD2 1 1 14 6308 1 1 18 LYS HD3 H -5.607 4.204 -1.405 1.00 . A A . 17 LYS HD3 1 1 14 6309 1 1 18 LYS HE2 H -4.663 2.174 -3.350 1.00 . A A . 17 LYS HE2 1 1 14 6310 1 1 18 LYS HE3 H -5.916 3.289 -3.890 1.00 . A A . 17 LYS HE3 1 1 14 6311 1 1 18 LYS HG2 H -3.884 2.595 -0.790 1.00 . A A . 17 LYS HG2 1 1 14 6312 1 1 18 LYS HG3 H -4.955 1.261 -1.228 1.00 . A A . 17 LYS HG3 1 1 14 6313 1 1 18 LYS HZ1 H -3.820 4.235 -4.415 1.00 . A A . 17 LYS HZ1 1 1 14 6314 1 1 18 LYS HZ2 H -3.226 3.982 -2.851 1.00 . A A . 17 LYS HZ2 1 1 14 6315 1 1 18 LYS HZ3 H -4.446 5.122 -3.117 1.00 . A A . 17 LYS HZ3 1 1 14 6316 1 1 18 LYS N N -3.598 1.737 2.004 1.00 . A A . 17 LYS N 1 1 14 6317 1 1 18 LYS NZ N -4.078 4.195 -3.408 1.00 . A A . 17 LYS NZ 1 1 14 6318 1 1 18 LYS O O -3.667 -0.353 0.168 1.00 . A A . 17 LYS O 1 1 14 6319 1 1 19 PRO C C -5.772 -2.129 -1.348 1.00 . A A . 18 PRO C 1 1 14 6320 1 1 19 PRO CA C -5.734 -2.236 0.173 1.00 . A A . 18 PRO CA 1 1 14 6321 1 1 19 PRO CB C -7.008 -2.902 0.695 1.00 . A A . 18 PRO CB 1 1 14 6322 1 1 19 PRO CD C -7.015 -0.661 1.524 1.00 . A A . 18 PRO CD 1 1 14 6323 1 1 19 PRO CG C -7.910 -1.771 1.049 1.00 . A A . 18 PRO CG 1 1 14 6324 1 1 19 PRO HA H -4.873 -2.817 0.470 1.00 . A A . 18 PRO HA 1 1 14 6325 1 1 19 PRO HB2 H -7.437 -3.523 -0.080 1.00 . A A . 18 PRO HB2 1 1 14 6326 1 1 19 PRO HB3 H -6.776 -3.507 1.559 1.00 . A A . 18 PRO HB3 1 1 14 6327 1 1 19 PRO HD2 H -7.420 0.299 1.241 1.00 . A A . 18 PRO HD2 1 1 14 6328 1 1 19 PRO HD3 H -6.882 -0.715 2.595 1.00 . A A . 18 PRO HD3 1 1 14 6329 1 1 19 PRO HG2 H -8.466 -1.457 0.177 1.00 . A A . 18 PRO HG2 1 1 14 6330 1 1 19 PRO HG3 H -8.585 -2.071 1.837 1.00 . A A . 18 PRO HG3 1 1 14 6331 1 1 19 PRO N N -5.745 -0.923 0.824 1.00 . A A . 18 PRO N 1 1 14 6332 1 1 19 PRO O O -5.562 -3.115 -2.054 1.00 . A A . 18 PRO O 1 1 14 6333 1 1 20 GLU C C -4.729 -0.366 -3.846 1.00 . A A . 19 GLU C 1 1 14 6334 1 1 20 GLU CA C -6.110 -0.692 -3.283 1.00 . A A . 19 GLU CA 1 1 14 6335 1 1 20 GLU CB C -7.081 0.449 -3.592 1.00 . A A . 19 GLU CB 1 1 14 6336 1 1 20 GLU CD C -7.762 2.287 -5.186 1.00 . A A . 19 GLU CD 1 1 14 6337 1 1 20 GLU CG C -6.795 1.153 -4.909 1.00 . A A . 19 GLU CG 1 1 14 6338 1 1 20 GLU H H -6.201 -0.179 -1.232 1.00 . A A . 19 GLU H 1 1 14 6339 1 1 20 GLU HA H -6.471 -1.596 -3.750 1.00 . A A . 19 GLU HA 1 1 14 6340 1 1 20 GLU HB2 H -8.084 0.052 -3.630 1.00 . A A . 19 GLU HB2 1 1 14 6341 1 1 20 GLU HB3 H -7.023 1.180 -2.798 1.00 . A A . 19 GLU HB3 1 1 14 6342 1 1 20 GLU HG2 H -5.793 1.554 -4.877 1.00 . A A . 19 GLU HG2 1 1 14 6343 1 1 20 GLU HG3 H -6.868 0.431 -5.710 1.00 . A A . 19 GLU HG3 1 1 14 6344 1 1 20 GLU N N -6.043 -0.926 -1.846 1.00 . A A . 19 GLU N 1 1 14 6345 1 1 20 GLU O O -4.553 -0.254 -5.059 1.00 . A A . 19 GLU O 1 1 14 6346 1 1 20 GLU OE1 O -8.280 2.876 -4.215 1.00 . A A . 19 GLU OE1 1 1 14 6347 1 1 20 GLU OE2 O -8.000 2.584 -6.375 1.00 . A A . 19 GLU OE2 1 1 14 6348 1 1 21 ALA C C -1.600 -1.176 -3.654 1.00 . A A . 20 ALA C 1 1 14 6349 1 1 21 ALA CA C -2.389 0.096 -3.362 1.00 . A A . 20 ALA CA 1 1 14 6350 1 1 21 ALA CB C -1.692 0.917 -2.288 1.00 . A A . 20 ALA CB 1 1 14 6351 1 1 21 ALA H H -3.957 -0.317 -2.002 1.00 . A A . 20 ALA H 1 1 14 6352 1 1 21 ALA HA H -2.437 0.693 -4.262 1.00 . A A . 20 ALA HA 1 1 14 6353 1 1 21 ALA HB1 H -2.233 1.839 -2.133 1.00 . A A . 20 ALA HB1 1 1 14 6354 1 1 21 ALA HB2 H -1.668 0.355 -1.366 1.00 . A A . 20 ALA HB2 1 1 14 6355 1 1 21 ALA HB3 H -0.683 1.139 -2.602 1.00 . A A . 20 ALA HB3 1 1 14 6356 1 1 21 ALA N N -3.754 -0.216 -2.955 1.00 . A A . 20 ALA N 1 1 14 6357 1 1 21 ALA O O -2.061 -2.283 -3.373 1.00 . A A . 20 ALA O 1 1 14 6358 1 1 22 ILE C C 1.692 -2.167 -3.675 1.00 . A A . 21 ILE C 1 1 14 6359 1 1 22 ILE CA C 0.444 -2.145 -4.550 1.00 . A A . 21 ILE CA 1 1 14 6360 1 1 22 ILE CB C 0.868 -2.121 -6.031 1.00 . A A . 21 ILE CB 1 1 14 6361 1 1 22 ILE CD1 C -0.980 -0.766 -7.139 1.00 . A A . 21 ILE CD1 1 1 14 6362 1 1 22 ILE CG1 C -0.365 -2.134 -6.936 1.00 . A A . 21 ILE CG1 1 1 14 6363 1 1 22 ILE CG2 C 1.773 -3.303 -6.342 1.00 . A A . 21 ILE CG2 1 1 14 6364 1 1 22 ILE H H -0.096 -0.103 -4.420 1.00 . A A . 21 ILE H 1 1 14 6365 1 1 22 ILE HA H -0.122 -3.049 -4.373 1.00 . A A . 21 ILE HA 1 1 14 6366 1 1 22 ILE HB H 1.426 -1.214 -6.207 1.00 . A A . 21 ILE HB 1 1 14 6367 1 1 22 ILE HD11 H -1.308 -0.374 -6.187 1.00 . A A . 21 ILE HD11 1 1 14 6368 1 1 22 ILE HD12 H -0.247 -0.101 -7.571 1.00 . A A . 21 ILE HD12 1 1 14 6369 1 1 22 ILE HD13 H -1.828 -0.848 -7.805 1.00 . A A . 21 ILE HD13 1 1 14 6370 1 1 22 ILE HG12 H -0.089 -2.518 -7.905 1.00 . A A . 21 ILE HG12 1 1 14 6371 1 1 22 ILE HG13 H -1.117 -2.775 -6.500 1.00 . A A . 21 ILE HG13 1 1 14 6372 1 1 22 ILE HG21 H 2.017 -3.301 -7.394 1.00 . A A . 21 ILE HG21 1 1 14 6373 1 1 22 ILE HG22 H 2.681 -3.222 -5.764 1.00 . A A . 21 ILE HG22 1 1 14 6374 1 1 22 ILE HG23 H 1.265 -4.222 -6.092 1.00 . A A . 21 ILE HG23 1 1 14 6375 1 1 22 ILE N N -0.409 -1.010 -4.220 1.00 . A A . 21 ILE N 1 1 14 6376 1 1 22 ILE O O 2.323 -3.210 -3.500 1.00 . A A . 21 ILE O 1 1 14 6377 1 1 23 LYS C C 2.981 0.132 -1.163 1.00 . A A . 22 LYS C 1 1 14 6378 1 1 23 LYS CA C 3.216 -0.893 -2.267 1.00 . A A . 22 LYS CA 1 1 14 6379 1 1 23 LYS CB C 4.442 -0.498 -3.092 1.00 . A A . 22 LYS CB 1 1 14 6380 1 1 23 LYS CD C 5.409 0.978 -4.879 1.00 . A A . 22 LYS CD 1 1 14 6381 1 1 23 LYS CE C 5.472 -0.014 -6.030 1.00 . A A . 22 LYS CE 1 1 14 6382 1 1 23 LYS CG C 4.214 0.712 -3.980 1.00 . A A . 22 LYS CG 1 1 14 6383 1 1 23 LYS H H 1.501 -0.212 -3.304 1.00 . A A . 22 LYS H 1 1 14 6384 1 1 23 LYS HA H 3.392 -1.858 -1.815 1.00 . A A . 22 LYS HA 1 1 14 6385 1 1 23 LYS HB2 H 5.258 -0.277 -2.419 1.00 . A A . 22 LYS HB2 1 1 14 6386 1 1 23 LYS HB3 H 4.722 -1.331 -3.721 1.00 . A A . 22 LYS HB3 1 1 14 6387 1 1 23 LYS HD2 H 5.330 1.976 -5.285 1.00 . A A . 22 LYS HD2 1 1 14 6388 1 1 23 LYS HD3 H 6.314 0.896 -4.294 1.00 . A A . 22 LYS HD3 1 1 14 6389 1 1 23 LYS HE2 H 6.368 0.174 -6.603 1.00 . A A . 22 LYS HE2 1 1 14 6390 1 1 23 LYS HE3 H 5.507 -1.014 -5.624 1.00 . A A . 22 LYS HE3 1 1 14 6391 1 1 23 LYS HG2 H 3.345 0.536 -4.596 1.00 . A A . 22 LYS HG2 1 1 14 6392 1 1 23 LYS HG3 H 4.045 1.579 -3.356 1.00 . A A . 22 LYS HG3 1 1 14 6393 1 1 23 LYS HZ1 H 3.658 -0.713 -6.795 1.00 . A A . 22 LYS HZ1 1 1 14 6394 1 1 23 LYS HZ2 H 4.597 0.128 -7.922 1.00 . A A . 22 LYS HZ2 1 1 14 6395 1 1 23 LYS HZ3 H 3.764 0.973 -6.716 1.00 . A A . 22 LYS HZ3 1 1 14 6396 1 1 23 LYS N N 2.044 -1.009 -3.127 1.00 . A A . 22 LYS N 1 1 14 6397 1 1 23 LYS NZ N 4.291 0.102 -6.929 1.00 . A A . 22 LYS NZ 1 1 14 6398 1 1 23 LYS O O 1.936 0.783 -1.117 1.00 . A A . 22 LYS O 1 1 14 6399 1 1 24 CYS C C 3.870 2.657 0.316 1.00 . A A . 23 CYS C 1 1 14 6400 1 1 24 CYS CA C 3.861 1.220 0.829 1.00 . A A . 23 CYS CA 1 1 14 6401 1 1 24 CYS CB C 5.014 1.012 1.813 1.00 . A A . 23 CYS CB 1 1 14 6402 1 1 24 CYS H H 4.769 -0.274 -0.364 1.00 . A A . 23 CYS H 1 1 14 6403 1 1 24 CYS HA H 2.927 1.039 1.339 1.00 . A A . 23 CYS HA 1 1 14 6404 1 1 24 CYS HB2 H 5.288 -0.034 1.818 1.00 . A A . 23 CYS HB2 1 1 14 6405 1 1 24 CYS HB3 H 5.861 1.598 1.492 1.00 . A A . 23 CYS HB3 1 1 14 6406 1 1 24 CYS N N 3.960 0.273 -0.274 1.00 . A A . 23 CYS N 1 1 14 6407 1 1 24 CYS O O 4.366 2.935 -0.776 1.00 . A A . 23 CYS O 1 1 14 6408 1 1 24 CYS SG S 4.624 1.488 3.527 1.00 . A A . 23 CYS SG 1 1 14 6409 1 1 25 VAL C C 4.268 5.796 1.538 1.00 . A A . 24 VAL C 1 1 14 6410 1 1 25 VAL CA C 3.261 4.976 0.738 1.00 . A A . 24 VAL CA 1 1 14 6411 1 1 25 VAL CB C 1.853 5.559 0.955 1.00 . A A . 24 VAL CB 1 1 14 6412 1 1 25 VAL CG1 C 1.590 5.785 2.437 1.00 . A A . 24 VAL CG1 1 1 14 6413 1 1 25 VAL CG2 C 1.686 6.852 0.172 1.00 . A A . 24 VAL CG2 1 1 14 6414 1 1 25 VAL H H 2.937 3.285 1.969 1.00 . A A . 24 VAL H 1 1 14 6415 1 1 25 VAL HA H 3.503 5.053 -0.312 1.00 . A A . 24 VAL HA 1 1 14 6416 1 1 25 VAL HB H 1.129 4.845 0.590 1.00 . A A . 24 VAL HB 1 1 14 6417 1 1 25 VAL HG11 H 2.136 5.054 3.015 1.00 . A A . 24 VAL HG11 1 1 14 6418 1 1 25 VAL HG12 H 1.914 6.778 2.713 1.00 . A A . 24 VAL HG12 1 1 14 6419 1 1 25 VAL HG13 H 0.533 5.682 2.634 1.00 . A A . 24 VAL HG13 1 1 14 6420 1 1 25 VAL HG21 H 2.222 6.779 -0.762 1.00 . A A . 24 VAL HG21 1 1 14 6421 1 1 25 VAL HG22 H 0.637 7.021 -0.027 1.00 . A A . 24 VAL HG22 1 1 14 6422 1 1 25 VAL HG23 H 2.078 7.676 0.750 1.00 . A A . 24 VAL HG23 1 1 14 6423 1 1 25 VAL N N 3.317 3.567 1.111 1.00 . A A . 24 VAL N 1 1 14 6424 1 1 25 VAL O O 4.174 7.021 1.604 1.00 . A A . 24 VAL O 1 1 14 6425 1 1 26 ALA C C 7.647 5.254 2.588 1.00 . A A . 25 ALA C 1 1 14 6426 1 1 26 ALA CA C 6.258 5.775 2.939 1.00 . A A . 25 ALA CA 1 1 14 6427 1 1 26 ALA CB C 5.980 5.588 4.423 1.00 . A A . 25 ALA CB 1 1 14 6428 1 1 26 ALA H H 5.253 4.135 2.056 1.00 . A A . 25 ALA H 1 1 14 6429 1 1 26 ALA HA H 6.215 6.833 2.721 1.00 . A A . 25 ALA HA 1 1 14 6430 1 1 26 ALA HB1 H 5.097 6.147 4.696 1.00 . A A . 25 ALA HB1 1 1 14 6431 1 1 26 ALA HB2 H 5.822 4.540 4.630 1.00 . A A . 25 ALA HB2 1 1 14 6432 1 1 26 ALA HB3 H 6.824 5.946 4.995 1.00 . A A . 25 ALA HB3 1 1 14 6433 1 1 26 ALA N N 5.232 5.110 2.145 1.00 . A A . 25 ALA N 1 1 14 6434 1 1 26 ALA O O 8.584 6.030 2.402 1.00 . A A . 25 ALA O 1 1 14 6435 1 1 27 CYS C C 9.009 2.689 0.779 1.00 . A A . 26 CYS C 1 1 14 6436 1 1 27 CYS CA C 9.048 3.307 2.173 1.00 . A A . 26 CYS CA 1 1 14 6437 1 1 27 CYS CB C 9.392 2.234 3.209 1.00 . A A . 26 CYS CB 1 1 14 6438 1 1 27 CYS H H 6.989 3.366 2.660 1.00 . A A . 26 CYS H 1 1 14 6439 1 1 27 CYS HA H 9.808 4.072 2.194 1.00 . A A . 26 CYS HA 1 1 14 6440 1 1 27 CYS HB2 H 10.440 1.981 3.119 1.00 . A A . 26 CYS HB2 1 1 14 6441 1 1 27 CYS HB3 H 9.207 2.626 4.198 1.00 . A A . 26 CYS HB3 1 1 14 6442 1 1 27 CYS N N 7.773 3.933 2.500 1.00 . A A . 26 CYS N 1 1 14 6443 1 1 27 CYS O O 10.043 2.323 0.223 1.00 . A A . 26 CYS O 1 1 14 6444 1 1 27 CYS SG S 8.435 0.695 3.032 1.00 . A A . 26 CYS SG 1 1 14 6445 1 1 28 GLU C C 7.936 0.508 -1.099 1.00 . A A . 27 GLU C 1 1 14 6446 1 1 28 GLU CA C 7.634 2.005 -1.109 1.00 . A A . 27 GLU CA 1 1 14 6447 1 1 28 GLU CB C 8.542 2.713 -2.117 1.00 . A A . 27 GLU CB 1 1 14 6448 1 1 28 GLU CD C 7.232 4.799 -1.556 1.00 . A A . 27 GLU CD 1 1 14 6449 1 1 28 GLU CG C 8.579 4.222 -1.946 1.00 . A A . 27 GLU CG 1 1 14 6450 1 1 28 GLU H H 7.020 2.889 0.714 1.00 . A A . 27 GLU H 1 1 14 6451 1 1 28 GLU HA H 6.605 2.149 -1.401 1.00 . A A . 27 GLU HA 1 1 14 6452 1 1 28 GLU HB2 H 9.547 2.333 -2.007 1.00 . A A . 27 GLU HB2 1 1 14 6453 1 1 28 GLU HB3 H 8.191 2.494 -3.114 1.00 . A A . 27 GLU HB3 1 1 14 6454 1 1 28 GLU HG2 H 9.295 4.467 -1.174 1.00 . A A . 27 GLU HG2 1 1 14 6455 1 1 28 GLU HG3 H 8.890 4.670 -2.878 1.00 . A A . 27 GLU HG3 1 1 14 6456 1 1 28 GLU N N 7.808 2.578 0.221 1.00 . A A . 27 GLU N 1 1 14 6457 1 1 28 GLU O O 8.658 0.004 -1.960 1.00 . A A . 27 GLU O 1 1 14 6458 1 1 28 GLU OE1 O 6.941 4.863 -0.344 1.00 . A A . 27 GLU OE1 1 1 14 6459 1 1 28 GLU OE2 O 6.469 5.187 -2.466 1.00 . A A . 27 GLU OE2 1 1 14 6460 1 1 29 THR C C 6.558 -2.411 -0.805 1.00 . A A . 28 THR C 1 1 14 6461 1 1 29 THR CA C 7.589 -1.633 0.004 1.00 . A A . 28 THR CA 1 1 14 6462 1 1 29 THR CB C 7.520 -2.087 1.475 1.00 . A A . 28 THR CB 1 1 14 6463 1 1 29 THR CG2 C 6.663 -3.335 1.616 1.00 . A A . 28 THR CG2 1 1 14 6464 1 1 29 THR H H 6.813 0.264 0.535 1.00 . A A . 28 THR H 1 1 14 6465 1 1 29 THR HA H 8.575 -1.859 -0.374 1.00 . A A . 28 THR HA 1 1 14 6466 1 1 29 THR HB H 7.074 -1.294 2.059 1.00 . A A . 28 THR HB 1 1 14 6467 1 1 29 THR HG1 H 9.161 -3.172 1.599 1.00 . A A . 28 THR HG1 1 1 14 6468 1 1 29 THR HG21 H 7.072 -4.123 1.002 1.00 . A A . 28 THR HG21 1 1 14 6469 1 1 29 THR HG22 H 5.654 -3.117 1.298 1.00 . A A . 28 THR HG22 1 1 14 6470 1 1 29 THR HG23 H 6.655 -3.651 2.648 1.00 . A A . 28 THR HG23 1 1 14 6471 1 1 29 THR N N 7.379 -0.196 -0.120 1.00 . A A . 28 THR N 1 1 14 6472 1 1 29 THR O O 5.403 -2.007 -0.938 1.00 . A A . 28 THR O 1 1 14 6473 1 1 29 THR OG1 O 8.838 -2.347 1.970 1.00 . A A . 28 THR OG1 1 1 14 6474 1 1 30 PRO C C 5.040 -5.105 -1.326 1.00 . A A . 29 PRO C 1 1 14 6475 1 1 30 PRO CA C 6.111 -4.416 -2.165 1.00 . A A . 29 PRO CA 1 1 14 6476 1 1 30 PRO CB C 7.075 -5.449 -2.754 1.00 . A A . 29 PRO CB 1 1 14 6477 1 1 30 PRO CD C 8.346 -4.100 -1.244 1.00 . A A . 29 PRO CD 1 1 14 6478 1 1 30 PRO CG C 8.213 -5.494 -1.793 1.00 . A A . 29 PRO CG 1 1 14 6479 1 1 30 PRO HA H 5.639 -3.865 -2.966 1.00 . A A . 29 PRO HA 1 1 14 6480 1 1 30 PRO HB2 H 6.581 -6.407 -2.825 1.00 . A A . 29 PRO HB2 1 1 14 6481 1 1 30 PRO HB3 H 7.397 -5.129 -3.732 1.00 . A A . 29 PRO HB3 1 1 14 6482 1 1 30 PRO HD2 H 8.662 -4.131 -0.211 1.00 . A A . 29 PRO HD2 1 1 14 6483 1 1 30 PRO HD3 H 9.041 -3.525 -1.836 1.00 . A A . 29 PRO HD3 1 1 14 6484 1 1 30 PRO HG2 H 7.998 -6.191 -0.999 1.00 . A A . 29 PRO HG2 1 1 14 6485 1 1 30 PRO HG3 H 9.118 -5.780 -2.309 1.00 . A A . 29 PRO HG3 1 1 14 6486 1 1 30 PRO N N 6.983 -3.556 -1.360 1.00 . A A . 29 PRO N 1 1 14 6487 1 1 30 PRO O O 5.347 -5.924 -0.459 1.00 . A A . 29 PRO O 1 1 14 6488 1 1 31 LYS C C 2.658 -6.874 -1.003 1.00 . A A . 30 LYS C 1 1 14 6489 1 1 31 LYS CA C 2.664 -5.355 -0.857 1.00 . A A . 30 LYS CA 1 1 14 6490 1 1 31 LYS CB C 1.339 -4.779 -1.361 1.00 . A A . 30 LYS CB 1 1 14 6491 1 1 31 LYS CD C -1.044 -5.449 -1.784 1.00 . A A . 30 LYS CD 1 1 14 6492 1 1 31 LYS CE C -2.040 -4.357 -1.428 1.00 . A A . 30 LYS CE 1 1 14 6493 1 1 31 LYS CG C 0.117 -5.485 -0.804 1.00 . A A . 30 LYS CG 1 1 14 6494 1 1 31 LYS H H 3.600 -4.109 -2.291 1.00 . A A . 30 LYS H 1 1 14 6495 1 1 31 LYS HA H 2.782 -5.106 0.186 1.00 . A A . 30 LYS HA 1 1 14 6496 1 1 31 LYS HB2 H 1.286 -3.736 -1.083 1.00 . A A . 30 LYS HB2 1 1 14 6497 1 1 31 LYS HB3 H 1.314 -4.856 -2.439 1.00 . A A . 30 LYS HB3 1 1 14 6498 1 1 31 LYS HD2 H -0.661 -5.261 -2.776 1.00 . A A . 30 LYS HD2 1 1 14 6499 1 1 31 LYS HD3 H -1.549 -6.405 -1.766 1.00 . A A . 30 LYS HD3 1 1 14 6500 1 1 31 LYS HE2 H -2.342 -4.484 -0.399 1.00 . A A . 30 LYS HE2 1 1 14 6501 1 1 31 LYS HE3 H -1.559 -3.397 -1.545 1.00 . A A . 30 LYS HE3 1 1 14 6502 1 1 31 LYS HG2 H 0.369 -6.516 -0.600 1.00 . A A . 30 LYS HG2 1 1 14 6503 1 1 31 LYS HG3 H -0.183 -4.998 0.113 1.00 . A A . 30 LYS HG3 1 1 14 6504 1 1 31 LYS HZ1 H -3.563 -3.438 -2.524 1.00 . A A . 30 LYS HZ1 1 1 14 6505 1 1 31 LYS HZ2 H -4.021 -4.900 -1.809 1.00 . A A . 30 LYS HZ2 1 1 14 6506 1 1 31 LYS HZ3 H -3.033 -4.904 -3.182 1.00 . A A . 30 LYS HZ3 1 1 14 6507 1 1 31 LYS N N 3.781 -4.769 -1.588 1.00 . A A . 30 LYS N 1 1 14 6508 1 1 31 LYS NZ N -3.248 -4.403 -2.297 1.00 . A A . 30 LYS NZ 1 1 14 6509 1 1 31 LYS O O 2.975 -7.422 -2.058 1.00 . A A . 30 LYS O 1 1 14 6510 1 1 32 PRO C C 1.091 -9.580 -0.761 1.00 . A A . 31 PRO C 1 1 14 6511 1 1 32 PRO CA C 2.226 -9.036 0.099 1.00 . A A . 31 PRO CA 1 1 14 6512 1 1 32 PRO CB C 1.982 -9.363 1.575 1.00 . A A . 31 PRO CB 1 1 14 6513 1 1 32 PRO CD C 1.893 -6.982 1.373 1.00 . A A . 31 PRO CD 1 1 14 6514 1 1 32 PRO CG C 1.317 -8.150 2.127 1.00 . A A . 31 PRO CG 1 1 14 6515 1 1 32 PRO HA H 3.159 -9.474 -0.219 1.00 . A A . 31 PRO HA 1 1 14 6516 1 1 32 PRO HB2 H 1.346 -10.233 1.652 1.00 . A A . 31 PRO HB2 1 1 14 6517 1 1 32 PRO HB3 H 2.925 -9.554 2.065 1.00 . A A . 31 PRO HB3 1 1 14 6518 1 1 32 PRO HD2 H 1.145 -6.216 1.236 1.00 . A A . 31 PRO HD2 1 1 14 6519 1 1 32 PRO HD3 H 2.752 -6.585 1.893 1.00 . A A . 31 PRO HD3 1 1 14 6520 1 1 32 PRO HG2 H 0.252 -8.210 1.968 1.00 . A A . 31 PRO HG2 1 1 14 6521 1 1 32 PRO HG3 H 1.537 -8.059 3.181 1.00 . A A . 31 PRO HG3 1 1 14 6522 1 1 32 PRO N N 2.285 -7.571 0.081 1.00 . A A . 31 PRO N 1 1 14 6523 1 1 32 PRO O O 0.068 -8.911 -0.901 1.00 . A A . 31 PRO O 1 1 14 6524 2 2 1 ZN ZN ZN 6.642 0.798 4.622 1.00 . B A . 32 ZN ZN 1 1 15 6525 1 1 2 HIS C C -16.324 6.317 4.466 1.00 . A A . 1 HIS C 1 1 15 6526 1 1 2 HIS CA C -17.845 6.395 4.552 1.00 . A A . 1 HIS CA 1 1 15 6527 1 1 2 HIS CB C -18.452 6.287 3.153 1.00 . A A . 1 HIS CB 1 1 15 6528 1 1 2 HIS CD2 C -17.294 8.237 1.894 1.00 . A A . 1 HIS CD2 1 1 15 6529 1 1 2 HIS CE1 C -16.366 7.073 0.284 1.00 . A A . 1 HIS CE1 1 1 15 6530 1 1 2 HIS CG C -17.624 6.939 2.089 1.00 . A A . 1 HIS CG 1 1 15 6531 1 1 2 HIS H H -17.992 8.491 4.805 1.00 . A A . 1 HIS H 1 1 15 6532 1 1 2 HIS HA H -18.201 5.572 5.153 1.00 . A A . 1 HIS HA 1 1 15 6533 1 1 2 HIS HB2 H -18.562 5.244 2.894 1.00 . A A . 1 HIS HB2 1 1 15 6534 1 1 2 HIS HB3 H -19.425 6.758 3.151 1.00 . A A . 1 HIS HB3 1 1 15 6535 1 1 2 HIS HD1 H -17.082 5.267 0.926 1.00 . A A . 1 HIS HD1 1 1 15 6536 1 1 2 HIS HD2 H -17.590 9.074 2.511 1.00 . A A . 1 HIS HD2 1 1 15 6537 1 1 2 HIS HE1 H -15.803 6.806 -0.597 1.00 . A A . 1 HIS HE1 1 1 15 6538 1 1 2 HIS N N -18.267 7.635 5.193 1.00 . A A . 1 HIS N 1 1 15 6539 1 1 2 HIS ND1 N -17.028 6.236 1.063 1.00 . A A . 1 HIS ND1 1 1 15 6540 1 1 2 HIS NE2 N -16.512 8.293 0.766 1.00 . A A . 1 HIS NE2 1 1 15 6541 1 1 2 HIS O O -15.650 7.334 4.300 1.00 . A A . 1 HIS O 1 1 15 6542 1 1 3 MET C C -14.025 3.484 4.045 1.00 . A A . 2 MET C 1 1 15 6543 1 1 3 MET CA C -14.348 4.897 4.518 1.00 . A A . 2 MET CA 1 1 15 6544 1 1 3 MET CB C -13.714 5.147 5.888 1.00 . A A . 2 MET CB 1 1 15 6545 1 1 3 MET CE C -12.274 3.548 8.558 1.00 . A A . 2 MET CE 1 1 15 6546 1 1 3 MET CG C -12.292 4.622 6.004 1.00 . A A . 2 MET CG 1 1 15 6547 1 1 3 MET H H -16.379 4.333 4.715 1.00 . A A . 2 MET H 1 1 15 6548 1 1 3 MET HA H -13.943 5.603 3.810 1.00 . A A . 2 MET HA 1 1 15 6549 1 1 3 MET HB2 H -13.699 6.209 6.077 1.00 . A A . 2 MET HB2 1 1 15 6550 1 1 3 MET HB3 H -14.314 4.662 6.644 1.00 . A A . 2 MET HB3 1 1 15 6551 1 1 3 MET HE1 H -11.961 2.614 8.116 1.00 . A A . 2 MET HE1 1 1 15 6552 1 1 3 MET HE2 H -11.932 3.595 9.581 1.00 . A A . 2 MET HE2 1 1 15 6553 1 1 3 MET HE3 H -13.352 3.614 8.535 1.00 . A A . 2 MET HE3 1 1 15 6554 1 1 3 MET HG2 H -12.296 3.560 5.813 1.00 . A A . 2 MET HG2 1 1 15 6555 1 1 3 MET HG3 H -11.680 5.116 5.263 1.00 . A A . 2 MET HG3 1 1 15 6556 1 1 3 MET N N -15.791 5.105 4.583 1.00 . A A . 2 MET N 1 1 15 6557 1 1 3 MET O O -14.875 2.594 4.087 1.00 . A A . 2 MET O 1 1 15 6558 1 1 3 MET SD S -11.575 4.913 7.632 1.00 . A A . 2 MET SD 1 1 15 6559 1 1 4 VAL C C -11.666 1.186 4.220 1.00 . A A . 3 VAL C 1 1 15 6560 1 1 4 VAL CA C -12.353 1.978 3.113 1.00 . A A . 3 VAL CA 1 1 15 6561 1 1 4 VAL CB C -11.389 2.113 1.919 1.00 . A A . 3 VAL CB 1 1 15 6562 1 1 4 VAL CG1 C -10.268 3.088 2.246 1.00 . A A . 3 VAL CG1 1 1 15 6563 1 1 4 VAL CG2 C -10.829 0.753 1.531 1.00 . A A . 3 VAL CG2 1 1 15 6564 1 1 4 VAL H H -12.157 4.032 3.585 1.00 . A A . 3 VAL H 1 1 15 6565 1 1 4 VAL HA H -13.227 1.435 2.783 1.00 . A A . 3 VAL HA 1 1 15 6566 1 1 4 VAL HB H -11.943 2.504 1.078 1.00 . A A . 3 VAL HB 1 1 15 6567 1 1 4 VAL HG11 H -9.328 2.680 1.906 1.00 . A A . 3 VAL HG11 1 1 15 6568 1 1 4 VAL HG12 H -10.454 4.030 1.750 1.00 . A A . 3 VAL HG12 1 1 15 6569 1 1 4 VAL HG13 H -10.228 3.246 3.314 1.00 . A A . 3 VAL HG13 1 1 15 6570 1 1 4 VAL HG21 H -11.622 0.021 1.543 1.00 . A A . 3 VAL HG21 1 1 15 6571 1 1 4 VAL HG22 H -10.405 0.808 0.539 1.00 . A A . 3 VAL HG22 1 1 15 6572 1 1 4 VAL HG23 H -10.062 0.466 2.235 1.00 . A A . 3 VAL HG23 1 1 15 6573 1 1 4 VAL N N -12.790 3.283 3.594 1.00 . A A . 3 VAL N 1 1 15 6574 1 1 4 VAL O O -10.924 1.745 5.027 1.00 . A A . 3 VAL O 1 1 15 6575 1 1 5 ILE C C -10.434 -2.045 4.614 1.00 . A A . 4 ILE C 1 1 15 6576 1 1 5 ILE CA C -11.323 -0.987 5.258 1.00 . A A . 4 ILE CA 1 1 15 6577 1 1 5 ILE CB C -12.402 -1.686 6.107 1.00 . A A . 4 ILE CB 1 1 15 6578 1 1 5 ILE CD1 C -12.747 -2.958 8.284 1.00 . A A . 4 ILE CD1 1 1 15 6579 1 1 5 ILE CG1 C -11.840 -2.051 7.483 1.00 . A A . 4 ILE CG1 1 1 15 6580 1 1 5 ILE CG2 C -12.917 -2.926 5.393 1.00 . A A . 4 ILE CG2 1 1 15 6581 1 1 5 ILE H H -12.519 -0.505 3.580 1.00 . A A . 4 ILE H 1 1 15 6582 1 1 5 ILE HA H -10.719 -0.374 5.911 1.00 . A A . 4 ILE HA 1 1 15 6583 1 1 5 ILE HB H -13.227 -1.004 6.232 1.00 . A A . 4 ILE HB 1 1 15 6584 1 1 5 ILE HD11 H -12.241 -3.268 9.186 1.00 . A A . 4 ILE HD11 1 1 15 6585 1 1 5 ILE HD12 H -13.652 -2.429 8.541 1.00 . A A . 4 ILE HD12 1 1 15 6586 1 1 5 ILE HD13 H -12.996 -3.830 7.695 1.00 . A A . 4 ILE HD13 1 1 15 6587 1 1 5 ILE HG12 H -10.895 -2.554 7.357 1.00 . A A . 4 ILE HG12 1 1 15 6588 1 1 5 ILE HG13 H -11.688 -1.145 8.053 1.00 . A A . 4 ILE HG13 1 1 15 6589 1 1 5 ILE HG21 H -13.856 -3.230 5.831 1.00 . A A . 4 ILE HG21 1 1 15 6590 1 1 5 ILE HG22 H -13.064 -2.704 4.347 1.00 . A A . 4 ILE HG22 1 1 15 6591 1 1 5 ILE HG23 H -12.197 -3.725 5.493 1.00 . A A . 4 ILE HG23 1 1 15 6592 1 1 5 ILE N N -11.919 -0.118 4.251 1.00 . A A . 4 ILE N 1 1 15 6593 1 1 5 ILE O O -10.641 -2.428 3.462 1.00 . A A . 4 ILE O 1 1 15 6594 1 1 6 GLY C C -7.103 -3.049 4.799 1.00 . A A . 5 GLY C 1 1 15 6595 1 1 6 GLY CA C -8.540 -3.529 4.852 1.00 . A A . 5 GLY CA 1 1 15 6596 1 1 6 GLY H H -9.328 -2.175 6.277 1.00 . A A . 5 GLY H 1 1 15 6597 1 1 6 GLY HA2 H -8.594 -4.401 5.487 1.00 . A A . 5 GLY HA2 1 1 15 6598 1 1 6 GLY HA3 H -8.853 -3.802 3.855 1.00 . A A . 5 GLY HA3 1 1 15 6599 1 1 6 GLY N N -9.445 -2.517 5.365 1.00 . A A . 5 GLY N 1 1 15 6600 1 1 6 GLY O O -6.188 -3.829 4.534 1.00 . A A . 5 GLY O 1 1 15 6601 1 1 7 THR C C -4.556 -2.087 5.711 1.00 . A A . 6 THR C 1 1 15 6602 1 1 7 THR CA C -5.567 -1.174 5.027 1.00 . A A . 6 THR CA 1 1 15 6603 1 1 7 THR CB C -5.545 0.204 5.715 1.00 . A A . 6 THR CB 1 1 15 6604 1 1 7 THR CG2 C -6.345 1.221 4.915 1.00 . A A . 6 THR CG2 1 1 15 6605 1 1 7 THR H H -7.672 -1.187 5.255 1.00 . A A . 6 THR H 1 1 15 6606 1 1 7 THR HA H -5.279 -1.042 3.994 1.00 . A A . 6 THR HA 1 1 15 6607 1 1 7 THR HB H -4.521 0.542 5.777 1.00 . A A . 6 THR HB 1 1 15 6608 1 1 7 THR HG1 H -5.654 -0.622 7.503 1.00 . A A . 6 THR HG1 1 1 15 6609 1 1 7 THR HG21 H -5.671 1.930 4.458 1.00 . A A . 6 THR HG21 1 1 15 6610 1 1 7 THR HG22 H -7.025 1.742 5.572 1.00 . A A . 6 THR HG22 1 1 15 6611 1 1 7 THR HG23 H -6.906 0.712 4.146 1.00 . A A . 6 THR HG23 1 1 15 6612 1 1 7 THR N N -6.902 -1.758 5.050 1.00 . A A . 6 THR N 1 1 15 6613 1 1 7 THR O O -4.821 -2.630 6.782 1.00 . A A . 6 THR O 1 1 15 6614 1 1 7 THR OG1 O -6.084 0.100 7.038 1.00 . A A . 6 THR OG1 1 1 15 6615 1 1 8 TRP C C -1.242 -2.255 6.268 1.00 . A A . 7 TRP C 1 1 15 6616 1 1 8 TRP CA C -2.343 -3.097 5.633 1.00 . A A . 7 TRP CA 1 1 15 6617 1 1 8 TRP CB C -1.755 -3.989 4.539 1.00 . A A . 7 TRP CB 1 1 15 6618 1 1 8 TRP CD1 C -2.523 -2.860 2.370 1.00 . A A . 7 TRP CD1 1 1 15 6619 1 1 8 TRP CD2 C -0.301 -2.895 2.653 1.00 . A A . 7 TRP CD2 1 1 15 6620 1 1 8 TRP CE2 C -0.589 -2.253 1.433 1.00 . A A . 7 TRP CE2 1 1 15 6621 1 1 8 TRP CE3 C 1.033 -3.033 3.042 1.00 . A A . 7 TRP CE3 1 1 15 6622 1 1 8 TRP CG C -1.553 -3.276 3.236 1.00 . A A . 7 TRP CG 1 1 15 6623 1 1 8 TRP CH2 C 1.707 -1.901 1.008 1.00 . A A . 7 TRP CH2 1 1 15 6624 1 1 8 TRP CZ2 C 0.409 -1.752 0.602 1.00 . A A . 7 TRP CZ2 1 1 15 6625 1 1 8 TRP CZ3 C 2.024 -2.536 2.217 1.00 . A A . 7 TRP CZ3 1 1 15 6626 1 1 8 TRP H H -3.243 -1.789 4.232 1.00 . A A . 7 TRP H 1 1 15 6627 1 1 8 TRP HA H -2.786 -3.722 6.395 1.00 . A A . 7 TRP HA 1 1 15 6628 1 1 8 TRP HB2 H -0.797 -4.364 4.866 1.00 . A A . 7 TRP HB2 1 1 15 6629 1 1 8 TRP HB3 H -2.422 -4.820 4.364 1.00 . A A . 7 TRP HB3 1 1 15 6630 1 1 8 TRP HD1 H -3.581 -3.003 2.528 1.00 . A A . 7 TRP HD1 1 1 15 6631 1 1 8 TRP HE1 H -2.439 -1.861 0.524 1.00 . A A . 7 TRP HE1 1 1 15 6632 1 1 8 TRP HE3 H 1.296 -3.520 3.970 1.00 . A A . 7 TRP HE3 1 1 15 6633 1 1 8 TRP HH2 H 2.513 -1.528 0.395 1.00 . A A . 7 TRP HH2 1 1 15 6634 1 1 8 TRP HZ2 H 0.183 -1.260 -0.333 1.00 . A A . 7 TRP HZ2 1 1 15 6635 1 1 8 TRP HZ3 H 3.061 -2.634 2.502 1.00 . A A . 7 TRP HZ3 1 1 15 6636 1 1 8 TRP N N -3.396 -2.250 5.084 1.00 . A A . 7 TRP N 1 1 15 6637 1 1 8 TRP NE1 N -1.951 -2.245 1.283 1.00 . A A . 7 TRP NE1 1 1 15 6638 1 1 8 TRP O O -0.867 -1.208 5.741 1.00 . A A . 7 TRP O 1 1 15 6639 1 1 9 ASP C C 1.698 -2.606 7.780 1.00 . A A . 8 ASP C 1 1 15 6640 1 1 9 ASP CA C 0.334 -2.008 8.106 1.00 . A A . 8 ASP CA 1 1 15 6641 1 1 9 ASP CB C 0.091 -2.054 9.616 1.00 . A A . 8 ASP CB 1 1 15 6642 1 1 9 ASP CG C -1.362 -1.809 9.976 1.00 . A A . 8 ASP CG 1 1 15 6643 1 1 9 ASP H H -1.068 -3.560 7.771 1.00 . A A . 8 ASP H 1 1 15 6644 1 1 9 ASP HA H 0.317 -0.979 7.780 1.00 . A A . 8 ASP HA 1 1 15 6645 1 1 9 ASP HB2 H 0.376 -3.026 9.990 1.00 . A A . 8 ASP HB2 1 1 15 6646 1 1 9 ASP HB3 H 0.694 -1.297 10.094 1.00 . A A . 8 ASP HB3 1 1 15 6647 1 1 9 ASP N N -0.727 -2.719 7.401 1.00 . A A . 8 ASP N 1 1 15 6648 1 1 9 ASP O O 1.875 -3.824 7.796 1.00 . A A . 8 ASP O 1 1 15 6649 1 1 9 ASP OD1 O -2.239 -2.478 9.392 1.00 . A A . 8 ASP OD1 1 1 15 6650 1 1 9 ASP OD2 O -1.620 -0.948 10.843 1.00 . A A . 8 ASP OD2 1 1 15 6651 1 1 10 CYS C C 4.631 -2.957 8.308 1.00 . A A . 9 CYS C 1 1 15 6652 1 1 10 CYS CA C 4.011 -2.181 7.149 1.00 . A A . 9 CYS CA 1 1 15 6653 1 1 10 CYS CB C 4.890 -0.979 6.797 1.00 . A A . 9 CYS CB 1 1 15 6654 1 1 10 CYS H H 2.459 -0.780 7.485 1.00 . A A . 9 CYS H 1 1 15 6655 1 1 10 CYS HA H 3.946 -2.832 6.291 1.00 . A A . 9 CYS HA 1 1 15 6656 1 1 10 CYS HB2 H 4.283 -0.228 6.314 1.00 . A A . 9 CYS HB2 1 1 15 6657 1 1 10 CYS HB3 H 5.307 -0.570 7.705 1.00 . A A . 9 CYS HB3 1 1 15 6658 1 1 10 CYS N N 2.662 -1.740 7.481 1.00 . A A . 9 CYS N 1 1 15 6659 1 1 10 CYS O O 4.071 -3.008 9.403 1.00 . A A . 9 CYS O 1 1 15 6660 1 1 10 CYS SG S 6.275 -1.374 5.680 1.00 . A A . 9 CYS SG 1 1 15 6661 1 1 11 ASP C C 7.955 -3.928 9.157 1.00 . A A . 10 ASP C 1 1 15 6662 1 1 11 ASP CA C 6.485 -4.331 9.079 1.00 . A A . 10 ASP CA 1 1 15 6663 1 1 11 ASP CB C 6.368 -5.827 8.787 1.00 . A A . 10 ASP CB 1 1 15 6664 1 1 11 ASP CG C 4.964 -6.230 8.382 1.00 . A A . 10 ASP CG 1 1 15 6665 1 1 11 ASP H H 6.183 -3.481 7.164 1.00 . A A . 10 ASP H 1 1 15 6666 1 1 11 ASP HA H 6.018 -4.121 10.030 1.00 . A A . 10 ASP HA 1 1 15 6667 1 1 11 ASP HB2 H 7.042 -6.084 7.982 1.00 . A A . 10 ASP HB2 1 1 15 6668 1 1 11 ASP HB3 H 6.641 -6.383 9.672 1.00 . A A . 10 ASP HB3 1 1 15 6669 1 1 11 ASP N N 5.788 -3.558 8.058 1.00 . A A . 10 ASP N 1 1 15 6670 1 1 11 ASP O O 8.751 -4.570 9.842 1.00 . A A . 10 ASP O 1 1 15 6671 1 1 11 ASP OD1 O 4.002 -5.746 9.015 1.00 . A A . 10 ASP OD1 1 1 15 6672 1 1 11 ASP OD2 O 4.826 -7.029 7.432 1.00 . A A . 10 ASP OD2 1 1 15 6673 1 1 12 THR C C 9.741 -0.886 8.763 1.00 . A A . 11 THR C 1 1 15 6674 1 1 12 THR CA C 9.682 -2.373 8.435 1.00 . A A . 11 THR CA 1 1 15 6675 1 1 12 THR CB C 10.350 -2.613 7.067 1.00 . A A . 11 THR CB 1 1 15 6676 1 1 12 THR CG2 C 11.639 -1.815 6.947 1.00 . A A . 11 THR CG2 1 1 15 6677 1 1 12 THR H H 7.628 -2.390 7.922 1.00 . A A . 11 THR H 1 1 15 6678 1 1 12 THR HA H 10.238 -2.919 9.183 1.00 . A A . 11 THR HA 1 1 15 6679 1 1 12 THR HB H 9.670 -2.290 6.291 1.00 . A A . 11 THR HB 1 1 15 6680 1 1 12 THR HG1 H 9.944 -4.404 6.349 1.00 . A A . 11 THR HG1 1 1 15 6681 1 1 12 THR HG21 H 11.426 -0.764 7.080 1.00 . A A . 11 THR HG21 1 1 15 6682 1 1 12 THR HG22 H 12.071 -1.973 5.970 1.00 . A A . 11 THR HG22 1 1 15 6683 1 1 12 THR HG23 H 12.335 -2.140 7.706 1.00 . A A . 11 THR HG23 1 1 15 6684 1 1 12 THR N N 8.309 -2.860 8.449 1.00 . A A . 11 THR N 1 1 15 6685 1 1 12 THR O O 10.381 -0.479 9.734 1.00 . A A . 11 THR O 1 1 15 6686 1 1 12 THR OG1 O 10.627 -4.007 6.894 1.00 . A A . 11 THR OG1 1 1 15 6687 1 1 13 CYS C C 7.916 1.763 9.097 1.00 . A A . 12 CYS C 1 1 15 6688 1 1 13 CYS CA C 9.047 1.365 8.153 1.00 . A A . 12 CYS CA 1 1 15 6689 1 1 13 CYS CB C 8.885 2.088 6.813 1.00 . A A . 12 CYS CB 1 1 15 6690 1 1 13 CYS H H 8.580 -0.462 7.191 1.00 . A A . 12 CYS H 1 1 15 6691 1 1 13 CYS HA H 9.987 1.654 8.596 1.00 . A A . 12 CYS HA 1 1 15 6692 1 1 13 CYS HB2 H 9.382 3.046 6.867 1.00 . A A . 12 CYS HB2 1 1 15 6693 1 1 13 CYS HB3 H 9.342 1.494 6.036 1.00 . A A . 12 CYS HB3 1 1 15 6694 1 1 13 CYS N N 9.071 -0.078 7.948 1.00 . A A . 12 CYS N 1 1 15 6695 1 1 13 CYS O O 7.914 2.862 9.653 1.00 . A A . 12 CYS O 1 1 15 6696 1 1 13 CYS SG S 7.153 2.390 6.336 1.00 . A A . 12 CYS SG 1 1 15 6697 1 1 14 LEU C C 4.905 2.185 9.562 1.00 . A A . 13 LEU C 1 1 15 6698 1 1 14 LEU CA C 5.820 1.116 10.152 1.00 . A A . 13 LEU CA 1 1 15 6699 1 1 14 LEU CB C 6.306 1.552 11.535 1.00 . A A . 13 LEU CB 1 1 15 6700 1 1 14 LEU CD1 C 7.713 1.086 13.556 1.00 . A A . 13 LEU CD1 1 1 15 6701 1 1 14 LEU CD2 C 7.473 -0.654 11.776 1.00 . A A . 13 LEU CD2 1 1 15 6702 1 1 14 LEU CG C 7.550 0.838 12.065 1.00 . A A . 13 LEU CG 1 1 15 6703 1 1 14 LEU H H 7.013 0.004 8.804 1.00 . A A . 13 LEU H 1 1 15 6704 1 1 14 LEU HA H 5.262 0.196 10.248 1.00 . A A . 13 LEU HA 1 1 15 6705 1 1 14 LEU HB2 H 6.524 2.608 11.492 1.00 . A A . 13 LEU HB2 1 1 15 6706 1 1 14 LEU HB3 H 5.501 1.381 12.237 1.00 . A A . 13 LEU HB3 1 1 15 6707 1 1 14 LEU HD11 H 7.485 0.181 14.099 1.00 . A A . 13 LEU HD11 1 1 15 6708 1 1 14 LEU HD12 H 7.040 1.871 13.867 1.00 . A A . 13 LEU HD12 1 1 15 6709 1 1 14 LEU HD13 H 8.732 1.383 13.762 1.00 . A A . 13 LEU HD13 1 1 15 6710 1 1 14 LEU HD21 H 6.451 -0.987 11.877 1.00 . A A . 13 LEU HD21 1 1 15 6711 1 1 14 LEU HD22 H 8.097 -1.189 12.476 1.00 . A A . 13 LEU HD22 1 1 15 6712 1 1 14 LEU HD23 H 7.816 -0.843 10.769 1.00 . A A . 13 LEU HD23 1 1 15 6713 1 1 14 LEU HG H 8.424 1.232 11.564 1.00 . A A . 13 LEU HG 1 1 15 6714 1 1 14 LEU N N 6.956 0.861 9.274 1.00 . A A . 13 LEU N 1 1 15 6715 1 1 14 LEU O O 4.898 3.330 10.015 1.00 . A A . 13 LEU O 1 1 15 6716 1 1 15 VAL C C 2.012 1.989 7.316 1.00 . A A . 14 VAL C 1 1 15 6717 1 1 15 VAL CA C 3.211 2.727 7.900 1.00 . A A . 14 VAL CA 1 1 15 6718 1 1 15 VAL CB C 3.909 3.519 6.778 1.00 . A A . 14 VAL CB 1 1 15 6719 1 1 15 VAL CG1 C 2.903 4.372 6.021 1.00 . A A . 14 VAL CG1 1 1 15 6720 1 1 15 VAL CG2 C 5.027 4.379 7.349 1.00 . A A . 14 VAL CG2 1 1 15 6721 1 1 15 VAL H H 4.183 0.877 8.233 1.00 . A A . 14 VAL H 1 1 15 6722 1 1 15 VAL HA H 2.862 3.430 8.644 1.00 . A A . 14 VAL HA 1 1 15 6723 1 1 15 VAL HB H 4.344 2.814 6.085 1.00 . A A . 14 VAL HB 1 1 15 6724 1 1 15 VAL HG11 H 2.360 4.992 6.718 1.00 . A A . 14 VAL HG11 1 1 15 6725 1 1 15 VAL HG12 H 3.423 4.997 5.311 1.00 . A A . 14 VAL HG12 1 1 15 6726 1 1 15 VAL HG13 H 2.211 3.730 5.496 1.00 . A A . 14 VAL HG13 1 1 15 6727 1 1 15 VAL HG21 H 4.601 5.192 7.916 1.00 . A A . 14 VAL HG21 1 1 15 6728 1 1 15 VAL HG22 H 5.650 3.777 7.994 1.00 . A A . 14 VAL HG22 1 1 15 6729 1 1 15 VAL HG23 H 5.624 4.776 6.541 1.00 . A A . 14 VAL HG23 1 1 15 6730 1 1 15 VAL N N 4.133 1.803 8.550 1.00 . A A . 14 VAL N 1 1 15 6731 1 1 15 VAL O O 2.168 0.982 6.626 1.00 . A A . 14 VAL O 1 1 15 6732 1 1 16 GLN C C -0.697 2.327 5.669 1.00 . A A . 15 GLN C 1 1 15 6733 1 1 16 GLN CA C -0.409 1.885 7.100 1.00 . A A . 15 GLN CA 1 1 15 6734 1 1 16 GLN CB C -1.588 2.245 8.005 1.00 . A A . 15 GLN CB 1 1 15 6735 1 1 16 GLN CD C -3.167 1.248 9.708 1.00 . A A . 15 GLN CD 1 1 15 6736 1 1 16 GLN CG C -1.739 1.323 9.205 1.00 . A A . 15 GLN CG 1 1 15 6737 1 1 16 GLN H H 0.758 3.301 8.152 1.00 . A A . 15 GLN H 1 1 15 6738 1 1 16 GLN HA H -0.272 0.814 7.111 1.00 . A A . 15 GLN HA 1 1 15 6739 1 1 16 GLN HB2 H -1.453 3.253 8.368 1.00 . A A . 15 GLN HB2 1 1 15 6740 1 1 16 GLN HB3 H -2.499 2.198 7.427 1.00 . A A . 15 GLN HB3 1 1 15 6741 1 1 16 GLN HE21 H -2.630 2.091 11.427 1.00 . A A . 15 GLN HE21 1 1 15 6742 1 1 16 GLN HE22 H -4.304 1.688 11.278 1.00 . A A . 15 GLN HE22 1 1 15 6743 1 1 16 GLN HG2 H -1.422 0.330 8.922 1.00 . A A . 15 GLN HG2 1 1 15 6744 1 1 16 GLN HG3 H -1.109 1.687 10.003 1.00 . A A . 15 GLN HG3 1 1 15 6745 1 1 16 GLN N N 0.817 2.496 7.598 1.00 . A A . 15 GLN N 1 1 15 6746 1 1 16 GLN NE2 N -3.390 1.723 10.928 1.00 . A A . 15 GLN NE2 1 1 15 6747 1 1 16 GLN O O -0.341 3.435 5.268 1.00 . A A . 15 GLN O 1 1 15 6748 1 1 16 GLN OE1 O -4.060 0.769 9.008 1.00 . A A . 15 GLN OE1 1 1 15 6749 1 1 17 ASN C C -2.993 1.090 3.117 1.00 . A A . 16 ASN C 1 1 15 6750 1 1 17 ASN CA C -1.679 1.756 3.517 1.00 . A A . 16 ASN CA 1 1 15 6751 1 1 17 ASN CB C -0.556 1.292 2.587 1.00 . A A . 16 ASN CB 1 1 15 6752 1 1 17 ASN CG C 0.804 1.337 3.255 1.00 . A A . 16 ASN CG 1 1 15 6753 1 1 17 ASN H H -1.602 0.587 5.279 1.00 . A A . 16 ASN H 1 1 15 6754 1 1 17 ASN HA H -1.789 2.826 3.427 1.00 . A A . 16 ASN HA 1 1 15 6755 1 1 17 ASN HB2 H -0.751 0.275 2.277 1.00 . A A . 16 ASN HB2 1 1 15 6756 1 1 17 ASN HB3 H -0.531 1.929 1.716 1.00 . A A . 16 ASN HB3 1 1 15 6757 1 1 17 ASN HD21 H 0.283 -0.148 4.470 1.00 . A A . 16 ASN HD21 1 1 15 6758 1 1 17 ASN HD22 H 1.880 0.473 4.687 1.00 . A A . 16 ASN HD22 1 1 15 6759 1 1 17 ASN N N -1.344 1.455 4.903 1.00 . A A . 16 ASN N 1 1 15 6760 1 1 17 ASN ND2 N 1.010 0.466 4.237 1.00 . A A . 16 ASN ND2 1 1 15 6761 1 1 17 ASN O O -3.437 0.136 3.756 1.00 . A A . 16 ASN O 1 1 15 6762 1 1 17 ASN OD1 O 1.660 2.145 2.893 1.00 . A A . 16 ASN OD1 1 1 15 6763 1 1 18 LYS C C -4.641 -0.232 0.783 1.00 . A A . 17 LYS C 1 1 15 6764 1 1 18 LYS CA C -4.870 1.055 1.569 1.00 . A A . 17 LYS CA 1 1 15 6765 1 1 18 LYS CB C -5.586 2.082 0.688 1.00 . A A . 17 LYS CB 1 1 15 6766 1 1 18 LYS CD C -5.905 3.010 -1.624 1.00 . A A . 17 LYS CD 1 1 15 6767 1 1 18 LYS CE C -5.654 4.500 -1.463 1.00 . A A . 17 LYS CE 1 1 15 6768 1 1 18 LYS CG C -5.008 2.191 -0.712 1.00 . A A . 17 LYS CG 1 1 15 6769 1 1 18 LYS H H -3.205 2.361 1.588 1.00 . A A . 17 LYS H 1 1 15 6770 1 1 18 LYS HA H -5.490 0.835 2.426 1.00 . A A . 17 LYS HA 1 1 15 6771 1 1 18 LYS HB2 H -6.627 1.803 0.605 1.00 . A A . 17 LYS HB2 1 1 15 6772 1 1 18 LYS HB3 H -5.519 3.052 1.160 1.00 . A A . 17 LYS HB3 1 1 15 6773 1 1 18 LYS HD2 H -5.711 2.733 -2.650 1.00 . A A . 17 LYS HD2 1 1 15 6774 1 1 18 LYS HD3 H -6.938 2.799 -1.383 1.00 . A A . 17 LYS HD3 1 1 15 6775 1 1 18 LYS HE2 H -4.598 4.660 -1.313 1.00 . A A . 17 LYS HE2 1 1 15 6776 1 1 18 LYS HE3 H -5.970 5.006 -2.363 1.00 . A A . 17 LYS HE3 1 1 15 6777 1 1 18 LYS HG2 H -4.040 2.668 -0.655 1.00 . A A . 17 LYS HG2 1 1 15 6778 1 1 18 LYS HG3 H -4.898 1.198 -1.125 1.00 . A A . 17 LYS HG3 1 1 15 6779 1 1 18 LYS HZ1 H -6.951 5.894 -0.603 1.00 . A A . 17 LYS HZ1 1 1 15 6780 1 1 18 LYS HZ2 H -5.733 5.358 0.441 1.00 . A A . 17 LYS HZ2 1 1 15 6781 1 1 18 LYS HZ3 H -7.046 4.353 0.088 1.00 . A A . 17 LYS HZ3 1 1 15 6782 1 1 18 LYS N N -3.609 1.600 2.056 1.00 . A A . 17 LYS N 1 1 15 6783 1 1 18 LYS NZ N -6.398 5.066 -0.303 1.00 . A A . 17 LYS NZ 1 1 15 6784 1 1 18 LYS O O -3.603 -0.424 0.150 1.00 . A A . 17 LYS O 1 1 15 6785 1 1 19 PRO C C -5.639 -2.255 -1.393 1.00 . A A . 18 PRO C 1 1 15 6786 1 1 19 PRO CA C -5.560 -2.419 0.120 1.00 . A A . 18 PRO CA 1 1 15 6787 1 1 19 PRO CB C -6.784 -3.177 0.641 1.00 . A A . 18 PRO CB 1 1 15 6788 1 1 19 PRO CD C -6.896 -0.974 1.560 1.00 . A A . 18 PRO CD 1 1 15 6789 1 1 19 PRO CG C -7.740 -2.114 1.058 1.00 . A A . 18 PRO CG 1 1 15 6790 1 1 19 PRO HA H -4.663 -2.963 0.376 1.00 . A A . 18 PRO HA 1 1 15 6791 1 1 19 PRO HB2 H -7.194 -3.790 -0.150 1.00 . A A . 18 PRO HB2 1 1 15 6792 1 1 19 PRO HB3 H -6.499 -3.800 1.474 1.00 . A A . 18 PRO HB3 1 1 15 6793 1 1 19 PRO HD2 H -7.361 -0.028 1.324 1.00 . A A . 18 PRO HD2 1 1 15 6794 1 1 19 PRO HD3 H -6.737 -1.063 2.625 1.00 . A A . 18 PRO HD3 1 1 15 6795 1 1 19 PRO HG2 H -8.331 -1.799 0.212 1.00 . A A . 18 PRO HG2 1 1 15 6796 1 1 19 PRO HG3 H -8.377 -2.482 1.847 1.00 . A A . 18 PRO HG3 1 1 15 6797 1 1 19 PRO N N -5.631 -1.135 0.824 1.00 . A A . 18 PRO N 1 1 15 6798 1 1 19 PRO O O -5.413 -3.205 -2.142 1.00 . A A . 18 PRO O 1 1 15 6799 1 1 20 GLU C C -4.717 -0.359 -3.843 1.00 . A A . 19 GLU C 1 1 15 6800 1 1 20 GLU CA C -6.071 -0.758 -3.263 1.00 . A A . 19 GLU CA 1 1 15 6801 1 1 20 GLU CB C -7.091 0.357 -3.505 1.00 . A A . 19 GLU CB 1 1 15 6802 1 1 20 GLU CD C -6.920 0.249 -6.023 1.00 . A A . 19 GLU CD 1 1 15 6803 1 1 20 GLU CG C -6.852 1.131 -4.791 1.00 . A A . 19 GLU CG 1 1 15 6804 1 1 20 GLU H H -6.131 -0.327 -1.191 1.00 . A A . 19 GLU H 1 1 15 6805 1 1 20 GLU HA H -6.410 -1.656 -3.756 1.00 . A A . 19 GLU HA 1 1 15 6806 1 1 20 GLU HB2 H -8.078 -0.077 -3.547 1.00 . A A . 19 GLU HB2 1 1 15 6807 1 1 20 GLU HB3 H -7.048 1.052 -2.679 1.00 . A A . 19 GLU HB3 1 1 15 6808 1 1 20 GLU HG2 H -7.605 1.900 -4.877 1.00 . A A . 19 GLU HG2 1 1 15 6809 1 1 20 GLU HG3 H -5.874 1.587 -4.747 1.00 . A A . 19 GLU HG3 1 1 15 6810 1 1 20 GLU N N -5.962 -1.044 -1.837 1.00 . A A . 19 GLU N 1 1 15 6811 1 1 20 GLU O O -4.571 -0.201 -5.055 1.00 . A A . 19 GLU O 1 1 15 6812 1 1 20 GLU OE1 O -7.429 -0.887 -5.914 1.00 . A A . 19 GLU OE1 1 1 15 6813 1 1 20 GLU OE2 O -6.464 0.694 -7.096 1.00 . A A . 19 GLU OE2 1 1 15 6814 1 1 21 ALA C C -1.564 -1.046 -3.770 1.00 . A A . 20 ALA C 1 1 15 6815 1 1 21 ALA CA C -2.387 0.180 -3.392 1.00 . A A . 20 ALA CA 1 1 15 6816 1 1 21 ALA CB C -1.689 0.968 -2.293 1.00 . A A . 20 ALA CB 1 1 15 6817 1 1 21 ALA H H -3.908 -0.338 -2.014 1.00 . A A . 20 ALA H 1 1 15 6818 1 1 21 ALA HA H -2.479 0.820 -4.258 1.00 . A A . 20 ALA HA 1 1 15 6819 1 1 21 ALA HB1 H -0.637 1.051 -2.524 1.00 . A A . 20 ALA HB1 1 1 15 6820 1 1 21 ALA HB2 H -2.122 1.956 -2.228 1.00 . A A . 20 ALA HB2 1 1 15 6821 1 1 21 ALA HB3 H -1.813 0.458 -1.350 1.00 . A A . 20 ALA HB3 1 1 15 6822 1 1 21 ALA N N -3.730 -0.198 -2.968 1.00 . A A . 20 ALA N 1 1 15 6823 1 1 21 ALA O O -1.973 -2.180 -3.518 1.00 . A A . 20 ALA O 1 1 15 6824 1 1 22 ILE C C 1.707 -1.977 -3.894 1.00 . A A . 21 ILE C 1 1 15 6825 1 1 22 ILE CA C 0.474 -1.899 -4.787 1.00 . A A . 21 ILE CA 1 1 15 6826 1 1 22 ILE CB C 0.925 -1.735 -6.252 1.00 . A A . 21 ILE CB 1 1 15 6827 1 1 22 ILE CD1 C -1.074 -0.302 -6.909 1.00 . A A . 21 ILE CD1 1 1 15 6828 1 1 22 ILE CG1 C -0.291 -1.571 -7.167 1.00 . A A . 21 ILE CG1 1 1 15 6829 1 1 22 ILE CG2 C 1.764 -2.928 -6.684 1.00 . A A . 21 ILE CG2 1 1 15 6830 1 1 22 ILE H H -0.135 0.113 -4.549 1.00 . A A . 21 ILE H 1 1 15 6831 1 1 22 ILE HA H -0.078 -2.824 -4.704 1.00 . A A . 21 ILE HA 1 1 15 6832 1 1 22 ILE HB H 1.539 -0.850 -6.318 1.00 . A A . 21 ILE HB 1 1 15 6833 1 1 22 ILE HD11 H -1.565 0.009 -7.820 1.00 . A A . 21 ILE HD11 1 1 15 6834 1 1 22 ILE HD12 H -1.813 -0.483 -6.143 1.00 . A A . 21 ILE HD12 1 1 15 6835 1 1 22 ILE HD13 H -0.400 0.477 -6.582 1.00 . A A . 21 ILE HD13 1 1 15 6836 1 1 22 ILE HG12 H 0.039 -1.554 -8.193 1.00 . A A . 21 ILE HG12 1 1 15 6837 1 1 22 ILE HG13 H -0.957 -2.408 -7.020 1.00 . A A . 21 ILE HG13 1 1 15 6838 1 1 22 ILE HG21 H 1.672 -3.716 -5.952 1.00 . A A . 21 ILE HG21 1 1 15 6839 1 1 22 ILE HG22 H 1.414 -3.285 -7.641 1.00 . A A . 21 ILE HG22 1 1 15 6840 1 1 22 ILE HG23 H 2.798 -2.630 -6.767 1.00 . A A . 21 ILE HG23 1 1 15 6841 1 1 22 ILE N N -0.406 -0.812 -4.376 1.00 . A A . 21 ILE N 1 1 15 6842 1 1 22 ILE O O 2.383 -3.004 -3.838 1.00 . A A . 21 ILE O 1 1 15 6843 1 1 23 LYS C C 2.942 0.229 -1.219 1.00 . A A . 22 LYS C 1 1 15 6844 1 1 23 LYS CA C 3.144 -0.829 -2.299 1.00 . A A . 22 LYS CA 1 1 15 6845 1 1 23 LYS CB C 4.418 -0.528 -3.091 1.00 . A A . 22 LYS CB 1 1 15 6846 1 1 23 LYS CD C 5.469 0.666 -5.034 1.00 . A A . 22 LYS CD 1 1 15 6847 1 1 23 LYS CE C 5.645 -0.536 -5.948 1.00 . A A . 22 LYS CE 1 1 15 6848 1 1 23 LYS CG C 4.231 0.530 -4.165 1.00 . A A . 22 LYS CG 1 1 15 6849 1 1 23 LYS H H 1.418 -0.096 -3.280 1.00 . A A . 22 LYS H 1 1 15 6850 1 1 23 LYS HA H 3.244 -1.794 -1.826 1.00 . A A . 22 LYS HA 1 1 15 6851 1 1 23 LYS HB2 H 5.180 -0.185 -2.407 1.00 . A A . 22 LYS HB2 1 1 15 6852 1 1 23 LYS HB3 H 4.756 -1.438 -3.566 1.00 . A A . 22 LYS HB3 1 1 15 6853 1 1 23 LYS HD2 H 5.377 1.555 -5.640 1.00 . A A . 22 LYS HD2 1 1 15 6854 1 1 23 LYS HD3 H 6.339 0.752 -4.397 1.00 . A A . 22 LYS HD3 1 1 15 6855 1 1 23 LYS HE2 H 6.518 -0.380 -6.564 1.00 . A A . 22 LYS HE2 1 1 15 6856 1 1 23 LYS HE3 H 5.786 -1.417 -5.341 1.00 . A A . 22 LYS HE3 1 1 15 6857 1 1 23 LYS HG2 H 3.395 0.252 -4.790 1.00 . A A . 22 LYS HG2 1 1 15 6858 1 1 23 LYS HG3 H 4.028 1.480 -3.690 1.00 . A A . 22 LYS HG3 1 1 15 6859 1 1 23 LYS HZ1 H 4.631 -1.537 -7.476 1.00 . A A . 22 LYS HZ1 1 1 15 6860 1 1 23 LYS HZ2 H 4.284 0.117 -7.393 1.00 . A A . 22 LYS HZ2 1 1 15 6861 1 1 23 LYS HZ3 H 3.619 -0.944 -6.256 1.00 . A A . 22 LYS HZ3 1 1 15 6862 1 1 23 LYS N N 1.993 -0.885 -3.194 1.00 . A A . 22 LYS N 1 1 15 6863 1 1 23 LYS NZ N 4.462 -0.739 -6.830 1.00 . A A . 22 LYS NZ 1 1 15 6864 1 1 23 LYS O O 2.025 1.046 -1.300 1.00 . A A . 22 LYS O 1 1 15 6865 1 1 24 CYS C C 3.692 2.597 0.358 1.00 . A A . 23 CYS C 1 1 15 6866 1 1 24 CYS CA C 3.722 1.167 0.887 1.00 . A A . 23 CYS CA 1 1 15 6867 1 1 24 CYS CB C 4.906 0.988 1.839 1.00 . A A . 23 CYS CB 1 1 15 6868 1 1 24 CYS H H 4.515 -0.468 -0.199 1.00 . A A . 23 CYS H 1 1 15 6869 1 1 24 CYS HA H 2.807 0.976 1.426 1.00 . A A . 23 CYS HA 1 1 15 6870 1 1 24 CYS HB2 H 5.214 -0.048 1.829 1.00 . A A . 23 CYS HB2 1 1 15 6871 1 1 24 CYS HB3 H 5.726 1.604 1.500 1.00 . A A . 23 CYS HB3 1 1 15 6872 1 1 24 CYS N N 3.805 0.209 -0.208 1.00 . A A . 23 CYS N 1 1 15 6873 1 1 24 CYS O O 4.047 2.853 -0.792 1.00 . A A . 23 CYS O 1 1 15 6874 1 1 24 CYS SG S 4.548 1.441 3.567 1.00 . A A . 23 CYS SG 1 1 15 6875 1 1 25 VAL C C 4.211 5.765 1.591 1.00 . A A . 24 VAL C 1 1 15 6876 1 1 25 VAL CA C 3.188 4.932 0.826 1.00 . A A . 24 VAL CA 1 1 15 6877 1 1 25 VAL CB C 1.782 5.508 1.079 1.00 . A A . 24 VAL CB 1 1 15 6878 1 1 25 VAL CG1 C 1.480 5.544 2.569 1.00 . A A . 24 VAL CG1 1 1 15 6879 1 1 25 VAL CG2 C 1.656 6.895 0.468 1.00 . A A . 24 VAL CG2 1 1 15 6880 1 1 25 VAL H H 2.994 3.261 2.111 1.00 . A A . 24 VAL H 1 1 15 6881 1 1 25 VAL HA H 3.398 5.004 -0.232 1.00 . A A . 24 VAL HA 1 1 15 6882 1 1 25 VAL HB H 1.060 4.861 0.603 1.00 . A A . 24 VAL HB 1 1 15 6883 1 1 25 VAL HG11 H 2.127 6.261 3.050 1.00 . A A . 24 VAL HG11 1 1 15 6884 1 1 25 VAL HG12 H 0.449 5.828 2.721 1.00 . A A . 24 VAL HG12 1 1 15 6885 1 1 25 VAL HG13 H 1.650 4.565 2.994 1.00 . A A . 24 VAL HG13 1 1 15 6886 1 1 25 VAL HG21 H 2.333 6.981 -0.369 1.00 . A A . 24 VAL HG21 1 1 15 6887 1 1 25 VAL HG22 H 0.642 7.049 0.128 1.00 . A A . 24 VAL HG22 1 1 15 6888 1 1 25 VAL HG23 H 1.903 7.640 1.210 1.00 . A A . 24 VAL HG23 1 1 15 6889 1 1 25 VAL N N 3.264 3.527 1.206 1.00 . A A . 24 VAL N 1 1 15 6890 1 1 25 VAL O O 4.064 6.979 1.724 1.00 . A A . 24 VAL O 1 1 15 6891 1 1 26 ALA C C 7.673 5.216 2.499 1.00 . A A . 25 ALA C 1 1 15 6892 1 1 26 ALA CA C 6.298 5.782 2.841 1.00 . A A . 25 ALA CA 1 1 15 6893 1 1 26 ALA CB C 6.037 5.670 4.336 1.00 . A A . 25 ALA CB 1 1 15 6894 1 1 26 ALA H H 5.311 4.135 1.952 1.00 . A A . 25 ALA H 1 1 15 6895 1 1 26 ALA HA H 6.275 6.830 2.575 1.00 . A A . 25 ALA HA 1 1 15 6896 1 1 26 ALA HB1 H 6.972 5.514 4.854 1.00 . A A . 25 ALA HB1 1 1 15 6897 1 1 26 ALA HB2 H 5.575 6.579 4.691 1.00 . A A . 25 ALA HB2 1 1 15 6898 1 1 26 ALA HB3 H 5.378 4.834 4.523 1.00 . A A . 25 ALA HB3 1 1 15 6899 1 1 26 ALA N N 5.249 5.103 2.092 1.00 . A A . 25 ALA N 1 1 15 6900 1 1 26 ALA O O 8.625 5.964 2.275 1.00 . A A . 25 ALA O 1 1 15 6901 1 1 27 CYS C C 8.971 2.584 0.761 1.00 . A A . 26 CYS C 1 1 15 6902 1 1 27 CYS CA C 9.026 3.224 2.145 1.00 . A A . 26 CYS CA 1 1 15 6903 1 1 27 CYS CB C 9.340 2.161 3.199 1.00 . A A . 26 CYS CB 1 1 15 6904 1 1 27 CYS H H 6.973 3.349 2.647 1.00 . A A . 26 CYS H 1 1 15 6905 1 1 27 CYS HA H 9.807 3.969 2.154 1.00 . A A . 26 CYS HA 1 1 15 6906 1 1 27 CYS HB2 H 10.382 1.885 3.122 1.00 . A A . 26 CYS HB2 1 1 15 6907 1 1 27 CYS HB3 H 9.153 2.572 4.180 1.00 . A A . 26 CYS HB3 1 1 15 6908 1 1 27 CYS N N 7.768 3.892 2.460 1.00 . A A . 26 CYS N 1 1 15 6909 1 1 27 CYS O O 9.998 2.199 0.203 1.00 . A A . 26 CYS O 1 1 15 6910 1 1 27 CYS SG S 8.353 0.638 3.038 1.00 . A A . 26 CYS SG 1 1 15 6911 1 1 28 GLU C C 7.798 0.371 -1.058 1.00 . A A . 27 GLU C 1 1 15 6912 1 1 28 GLU CA C 7.576 1.880 -1.104 1.00 . A A . 27 GLU CA 1 1 15 6913 1 1 28 GLU CB C 8.532 2.516 -2.117 1.00 . A A . 27 GLU CB 1 1 15 6914 1 1 28 GLU CD C 7.425 4.663 -1.378 1.00 . A A . 27 GLU CD 1 1 15 6915 1 1 28 GLU CG C 8.669 4.021 -1.961 1.00 . A A . 27 GLU CG 1 1 15 6916 1 1 28 GLU H H 6.983 2.799 0.708 1.00 . A A . 27 GLU H 1 1 15 6917 1 1 28 GLU HA H 6.560 2.073 -1.413 1.00 . A A . 27 GLU HA 1 1 15 6918 1 1 28 GLU HB2 H 9.510 2.071 -1.999 1.00 . A A . 27 GLU HB2 1 1 15 6919 1 1 28 GLU HB3 H 8.171 2.309 -3.113 1.00 . A A . 27 GLU HB3 1 1 15 6920 1 1 28 GLU HG2 H 9.502 4.229 -1.308 1.00 . A A . 27 GLU HG2 1 1 15 6921 1 1 28 GLU HG3 H 8.858 4.454 -2.933 1.00 . A A . 27 GLU HG3 1 1 15 6922 1 1 28 GLU N N 7.764 2.474 0.214 1.00 . A A . 27 GLU N 1 1 15 6923 1 1 28 GLU O O 8.472 -0.197 -1.918 1.00 . A A . 27 GLU O 1 1 15 6924 1 1 28 GLU OE1 O 6.389 4.688 -2.074 1.00 . A A . 27 GLU OE1 1 1 15 6925 1 1 28 GLU OE2 O 7.488 5.139 -0.225 1.00 . A A . 27 GLU OE2 1 1 15 6926 1 1 29 THR C C 6.426 -2.466 -0.829 1.00 . A A . 28 THR C 1 1 15 6927 1 1 29 THR CA C 7.361 -1.717 0.115 1.00 . A A . 28 THR CA 1 1 15 6928 1 1 29 THR CB C 7.064 -2.151 1.562 1.00 . A A . 28 THR CB 1 1 15 6929 1 1 29 THR CG2 C 5.892 -3.119 1.608 1.00 . A A . 28 THR CG2 1 1 15 6930 1 1 29 THR H H 6.699 0.233 0.606 1.00 . A A . 28 THR H 1 1 15 6931 1 1 29 THR HA H 8.381 -1.984 -0.118 1.00 . A A . 28 THR HA 1 1 15 6932 1 1 29 THR HB H 6.810 -1.273 2.140 1.00 . A A . 28 THR HB 1 1 15 6933 1 1 29 THR HG1 H 7.995 -3.146 2.988 1.00 . A A . 28 THR HG1 1 1 15 6934 1 1 29 THR HG21 H 5.615 -3.301 2.636 1.00 . A A . 28 THR HG21 1 1 15 6935 1 1 29 THR HG22 H 6.176 -4.051 1.142 1.00 . A A . 28 THR HG22 1 1 15 6936 1 1 29 THR HG23 H 5.053 -2.693 1.080 1.00 . A A . 28 THR HG23 1 1 15 6937 1 1 29 THR N N 7.224 -0.275 -0.047 1.00 . A A . 28 THR N 1 1 15 6938 1 1 29 THR O O 5.317 -2.022 -1.126 1.00 . A A . 28 THR O 1 1 15 6939 1 1 29 THR OG1 O 8.222 -2.768 2.136 1.00 . A A . 28 THR OG1 1 1 15 6940 1 1 30 PRO C C 4.900 -5.109 -1.549 1.00 . A A . 29 PRO C 1 1 15 6941 1 1 30 PRO CA C 6.102 -4.466 -2.231 1.00 . A A . 29 PRO CA 1 1 15 6942 1 1 30 PRO CB C 7.102 -5.538 -2.673 1.00 . A A . 29 PRO CB 1 1 15 6943 1 1 30 PRO CD C 8.195 -4.221 -1.003 1.00 . A A . 29 PRO CD 1 1 15 6944 1 1 30 PRO CG C 8.092 -5.614 -1.561 1.00 . A A . 29 PRO CG 1 1 15 6945 1 1 30 PRO HA H 5.769 -3.906 -3.092 1.00 . A A . 29 PRO HA 1 1 15 6946 1 1 30 PRO HB2 H 6.588 -6.478 -2.810 1.00 . A A . 29 PRO HB2 1 1 15 6947 1 1 30 PRO HB3 H 7.570 -5.238 -3.598 1.00 . A A . 29 PRO HB3 1 1 15 6948 1 1 30 PRO HD2 H 8.361 -4.253 0.063 1.00 . A A . 29 PRO HD2 1 1 15 6949 1 1 30 PRO HD3 H 8.988 -3.676 -1.494 1.00 . A A . 29 PRO HD3 1 1 15 6950 1 1 30 PRO HG2 H 7.739 -6.296 -0.803 1.00 . A A . 29 PRO HG2 1 1 15 6951 1 1 30 PRO HG3 H 9.048 -5.936 -1.943 1.00 . A A . 29 PRO HG3 1 1 15 6952 1 1 30 PRO N N 6.883 -3.630 -1.314 1.00 . A A . 29 PRO N 1 1 15 6953 1 1 30 PRO O O 5.052 -5.944 -0.656 1.00 . A A . 29 PRO O 1 1 15 6954 1 1 31 LYS C C 2.484 -6.779 -1.431 1.00 . A A . 30 LYS C 1 1 15 6955 1 1 31 LYS CA C 2.474 -5.254 -1.404 1.00 . A A . 30 LYS CA 1 1 15 6956 1 1 31 LYS CB C 1.259 -4.729 -2.173 1.00 . A A . 30 LYS CB 1 1 15 6957 1 1 31 LYS CD C -1.076 -5.305 -2.896 1.00 . A A . 30 LYS CD 1 1 15 6958 1 1 31 LYS CE C -2.477 -5.102 -2.340 1.00 . A A . 30 LYS CE 1 1 15 6959 1 1 31 LYS CG C -0.045 -5.404 -1.785 1.00 . A A . 30 LYS CG 1 1 15 6960 1 1 31 LYS H H 3.646 -4.046 -2.688 1.00 . A A . 30 LYS H 1 1 15 6961 1 1 31 LYS HA H 2.411 -4.924 -0.378 1.00 . A A . 30 LYS HA 1 1 15 6962 1 1 31 LYS HB2 H 1.162 -3.669 -1.986 1.00 . A A . 30 LYS HB2 1 1 15 6963 1 1 31 LYS HB3 H 1.422 -4.886 -3.229 1.00 . A A . 30 LYS HB3 1 1 15 6964 1 1 31 LYS HD2 H -0.829 -4.468 -3.532 1.00 . A A . 30 LYS HD2 1 1 15 6965 1 1 31 LYS HD3 H -1.056 -6.218 -3.475 1.00 . A A . 30 LYS HD3 1 1 15 6966 1 1 31 LYS HE2 H -2.893 -6.066 -2.088 1.00 . A A . 30 LYS HE2 1 1 15 6967 1 1 31 LYS HE3 H -2.412 -4.495 -1.450 1.00 . A A . 30 LYS HE3 1 1 15 6968 1 1 31 LYS HG2 H 0.148 -6.446 -1.578 1.00 . A A . 30 LYS HG2 1 1 15 6969 1 1 31 LYS HG3 H -0.438 -4.925 -0.898 1.00 . A A . 30 LYS HG3 1 1 15 6970 1 1 31 LYS HZ1 H -3.547 -3.447 -3.031 1.00 . A A . 30 LYS HZ1 1 1 15 6971 1 1 31 LYS HZ2 H -4.282 -4.931 -3.378 1.00 . A A . 30 LYS HZ2 1 1 15 6972 1 1 31 LYS HZ3 H -2.931 -4.428 -4.265 1.00 . A A . 30 LYS HZ3 1 1 15 6973 1 1 31 LYS N N 3.704 -4.715 -1.973 1.00 . A A . 30 LYS N 1 1 15 6974 1 1 31 LYS NZ N -3.372 -4.431 -3.323 1.00 . A A . 30 LYS NZ 1 1 15 6975 1 1 31 LYS O O 2.977 -7.405 -2.371 1.00 . A A . 30 LYS O 1 1 15 6976 1 1 32 PRO C C 0.887 -9.472 -1.257 1.00 . A A . 31 PRO C 1 1 15 6977 1 1 32 PRO CA C 1.858 -8.854 -0.258 1.00 . A A . 31 PRO CA 1 1 15 6978 1 1 32 PRO CB C 1.363 -9.070 1.174 1.00 . A A . 31 PRO CB 1 1 15 6979 1 1 32 PRO CD C 1.321 -6.713 0.778 1.00 . A A . 31 PRO CD 1 1 15 6980 1 1 32 PRO CG C 0.619 -7.823 1.510 1.00 . A A . 31 PRO CG 1 1 15 6981 1 1 32 PRO HA H 2.832 -9.308 -0.376 1.00 . A A . 31 PRO HA 1 1 15 6982 1 1 32 PRO HB2 H 0.718 -9.937 1.207 1.00 . A A . 31 PRO HB2 1 1 15 6983 1 1 32 PRO HB3 H 2.206 -9.215 1.832 1.00 . A A . 31 PRO HB3 1 1 15 6984 1 1 32 PRO HD2 H 0.611 -5.965 0.457 1.00 . A A . 31 PRO HD2 1 1 15 6985 1 1 32 PRO HD3 H 2.080 -6.270 1.406 1.00 . A A . 31 PRO HD3 1 1 15 6986 1 1 32 PRO HG2 H -0.403 -7.905 1.174 1.00 . A A . 31 PRO HG2 1 1 15 6987 1 1 32 PRO HG3 H 0.653 -7.651 2.575 1.00 . A A . 31 PRO HG3 1 1 15 6988 1 1 32 PRO N N 1.927 -7.394 -0.378 1.00 . A A . 31 PRO N 1 1 15 6989 1 1 32 PRO O O 1.322 -9.946 -2.305 1.00 . A A . 31 PRO O 1 1 15 6990 2 2 1 ZN ZN ZN 6.585 0.773 4.657 1.00 . B A . 32 ZN ZN 1 1 16 6991 1 1 2 HIS C C -15.287 -2.396 -2.459 1.00 . A A . 1 HIS C 1 1 16 6992 1 1 2 HIS CA C -15.514 -2.897 -3.882 1.00 . A A . 1 HIS CA 1 1 16 6993 1 1 2 HIS CB C -15.058 -1.838 -4.887 1.00 . A A . 1 HIS CB 1 1 16 6994 1 1 2 HIS CD2 C -17.091 -0.256 -4.587 1.00 . A A . 1 HIS CD2 1 1 16 6995 1 1 2 HIS CE1 C -17.392 0.282 -6.690 1.00 . A A . 1 HIS CE1 1 1 16 6996 1 1 2 HIS CG C -16.150 -0.905 -5.312 1.00 . A A . 1 HIS CG 1 1 16 6997 1 1 2 HIS H H -17.571 -3.021 -3.398 1.00 . A A . 1 HIS H 1 1 16 6998 1 1 2 HIS HA H -14.934 -3.795 -4.032 1.00 . A A . 1 HIS HA 1 1 16 6999 1 1 2 HIS HB2 H -14.270 -1.246 -4.442 1.00 . A A . 1 HIS HB2 1 1 16 7000 1 1 2 HIS HB3 H -14.677 -2.329 -5.771 1.00 . A A . 1 HIS HB3 1 1 16 7001 1 1 2 HIS HD1 H -15.843 -0.855 -7.395 1.00 . A A . 1 HIS HD1 1 1 16 7002 1 1 2 HIS HD2 H -17.222 -0.303 -3.514 1.00 . A A . 1 HIS HD2 1 1 16 7003 1 1 2 HIS HE1 H -17.789 0.727 -7.591 1.00 . A A . 1 HIS HE1 1 1 16 7004 1 1 2 HIS N N -16.918 -3.228 -4.099 1.00 . A A . 1 HIS N 1 1 16 7005 1 1 2 HIS ND1 N -16.366 -0.548 -6.625 1.00 . A A . 1 HIS ND1 1 1 16 7006 1 1 2 HIS NE2 N -17.851 0.475 -5.467 1.00 . A A . 1 HIS NE2 1 1 16 7007 1 1 2 HIS O O -15.719 -1.302 -2.099 1.00 . A A . 1 HIS O 1 1 16 7008 1 1 3 MET C C -13.001 -2.092 -0.165 1.00 . A A . 2 MET C 1 1 16 7009 1 1 3 MET CA C -14.323 -2.845 -0.270 1.00 . A A . 2 MET CA 1 1 16 7010 1 1 3 MET CB C -14.280 -4.098 0.608 1.00 . A A . 2 MET CB 1 1 16 7011 1 1 3 MET CE C -12.758 -7.703 0.118 1.00 . A A . 2 MET CE 1 1 16 7012 1 1 3 MET CG C -13.049 -4.960 0.377 1.00 . A A . 2 MET CG 1 1 16 7013 1 1 3 MET H H -14.288 -4.068 -1.998 1.00 . A A . 2 MET H 1 1 16 7014 1 1 3 MET HA H -15.119 -2.203 0.074 1.00 . A A . 2 MET HA 1 1 16 7015 1 1 3 MET HB2 H -14.293 -3.797 1.644 1.00 . A A . 2 MET HB2 1 1 16 7016 1 1 3 MET HB3 H -15.155 -4.697 0.404 1.00 . A A . 2 MET HB3 1 1 16 7017 1 1 3 MET HE1 H -12.378 -7.228 -0.775 1.00 . A A . 2 MET HE1 1 1 16 7018 1 1 3 MET HE2 H -12.033 -8.417 0.482 1.00 . A A . 2 MET HE2 1 1 16 7019 1 1 3 MET HE3 H -13.682 -8.213 -0.111 1.00 . A A . 2 MET HE3 1 1 16 7020 1 1 3 MET HG2 H -13.010 -5.238 -0.666 1.00 . A A . 2 MET HG2 1 1 16 7021 1 1 3 MET HG3 H -12.171 -4.383 0.626 1.00 . A A . 2 MET HG3 1 1 16 7022 1 1 3 MET N N -14.607 -3.206 -1.654 1.00 . A A . 2 MET N 1 1 16 7023 1 1 3 MET O O -11.980 -2.532 -0.694 1.00 . A A . 2 MET O 1 1 16 7024 1 1 3 MET SD S -13.056 -6.461 1.374 1.00 . A A . 2 MET SD 1 1 16 7025 1 1 4 VAL C C -11.327 -0.200 2.131 1.00 . A A . 3 VAL C 1 1 16 7026 1 1 4 VAL CA C -11.831 -0.138 0.693 1.00 . A A . 3 VAL CA 1 1 16 7027 1 1 4 VAL CB C -12.092 1.332 0.316 1.00 . A A . 3 VAL CB 1 1 16 7028 1 1 4 VAL CG1 C -10.984 2.227 0.851 1.00 . A A . 3 VAL CG1 1 1 16 7029 1 1 4 VAL CG2 C -12.226 1.480 -1.192 1.00 . A A . 3 VAL CG2 1 1 16 7030 1 1 4 VAL H H -13.870 -0.653 0.917 1.00 . A A . 3 VAL H 1 1 16 7031 1 1 4 VAL HA H -11.064 -0.524 0.037 1.00 . A A . 3 VAL HA 1 1 16 7032 1 1 4 VAL HB H -13.023 1.639 0.771 1.00 . A A . 3 VAL HB 1 1 16 7033 1 1 4 VAL HG11 H -10.946 3.137 0.271 1.00 . A A . 3 VAL HG11 1 1 16 7034 1 1 4 VAL HG12 H -11.182 2.466 1.886 1.00 . A A . 3 VAL HG12 1 1 16 7035 1 1 4 VAL HG13 H -10.038 1.711 0.775 1.00 . A A . 3 VAL HG13 1 1 16 7036 1 1 4 VAL HG21 H -13.233 1.785 -1.435 1.00 . A A . 3 VAL HG21 1 1 16 7037 1 1 4 VAL HG22 H -11.529 2.226 -1.545 1.00 . A A . 3 VAL HG22 1 1 16 7038 1 1 4 VAL HG23 H -12.011 0.534 -1.666 1.00 . A A . 3 VAL HG23 1 1 16 7039 1 1 4 VAL N N -13.027 -0.952 0.518 1.00 . A A . 3 VAL N 1 1 16 7040 1 1 4 VAL O O -10.237 0.283 2.439 1.00 . A A . 3 VAL O 1 1 16 7041 1 1 5 ILE C C -10.897 -2.160 4.645 1.00 . A A . 4 ILE C 1 1 16 7042 1 1 5 ILE CA C -11.763 -0.926 4.412 1.00 . A A . 4 ILE CA 1 1 16 7043 1 1 5 ILE CB C -13.010 -1.011 5.312 1.00 . A A . 4 ILE CB 1 1 16 7044 1 1 5 ILE CD1 C -11.546 -0.123 7.196 1.00 . A A . 4 ILE CD1 1 1 16 7045 1 1 5 ILE CG1 C -12.599 -1.127 6.781 1.00 . A A . 4 ILE CG1 1 1 16 7046 1 1 5 ILE CG2 C -13.879 -2.190 4.904 1.00 . A A . 4 ILE CG2 1 1 16 7047 1 1 5 ILE H H -12.984 -1.164 2.699 1.00 . A A . 4 ILE H 1 1 16 7048 1 1 5 ILE HA H -11.201 -0.046 4.691 1.00 . A A . 4 ILE HA 1 1 16 7049 1 1 5 ILE HB H -13.586 -0.107 5.177 1.00 . A A . 4 ILE HB 1 1 16 7050 1 1 5 ILE HD11 H -10.617 -0.347 6.692 1.00 . A A . 4 ILE HD11 1 1 16 7051 1 1 5 ILE HD12 H -11.870 0.871 6.930 1.00 . A A . 4 ILE HD12 1 1 16 7052 1 1 5 ILE HD13 H -11.396 -0.180 8.264 1.00 . A A . 4 ILE HD13 1 1 16 7053 1 1 5 ILE HG12 H -13.465 -0.974 7.404 1.00 . A A . 4 ILE HG12 1 1 16 7054 1 1 5 ILE HG13 H -12.203 -2.117 6.958 1.00 . A A . 4 ILE HG13 1 1 16 7055 1 1 5 ILE HG21 H -13.852 -2.942 5.679 1.00 . A A . 4 ILE HG21 1 1 16 7056 1 1 5 ILE HG22 H -14.896 -1.856 4.764 1.00 . A A . 4 ILE HG22 1 1 16 7057 1 1 5 ILE HG23 H -13.508 -2.610 3.981 1.00 . A A . 4 ILE HG23 1 1 16 7058 1 1 5 ILE N N -12.128 -0.799 3.006 1.00 . A A . 4 ILE N 1 1 16 7059 1 1 5 ILE O O -11.399 -3.226 4.997 1.00 . A A . 4 ILE O 1 1 16 7060 1 1 6 GLY C C -7.223 -2.688 4.562 1.00 . A A . 5 GLY C 1 1 16 7061 1 1 6 GLY CA C -8.676 -3.114 4.644 1.00 . A A . 5 GLY CA 1 1 16 7062 1 1 6 GLY H H -9.247 -1.132 4.168 1.00 . A A . 5 GLY H 1 1 16 7063 1 1 6 GLY HA2 H -8.858 -3.550 5.615 1.00 . A A . 5 GLY HA2 1 1 16 7064 1 1 6 GLY HA3 H -8.864 -3.859 3.885 1.00 . A A . 5 GLY HA3 1 1 16 7065 1 1 6 GLY N N -9.591 -2.005 4.449 1.00 . A A . 5 GLY N 1 1 16 7066 1 1 6 GLY O O -6.383 -3.416 4.033 1.00 . A A . 5 GLY O 1 1 16 7067 1 1 7 THR C C -4.594 -1.949 5.733 1.00 . A A . 6 THR C 1 1 16 7068 1 1 7 THR CA C -5.565 -0.979 5.068 1.00 . A A . 6 THR CA 1 1 16 7069 1 1 7 THR CB C -5.478 0.385 5.779 1.00 . A A . 6 THR CB 1 1 16 7070 1 1 7 THR CG2 C -6.263 1.442 5.016 1.00 . A A . 6 THR CG2 1 1 16 7071 1 1 7 THR H H -7.638 -0.969 5.495 1.00 . A A . 6 THR H 1 1 16 7072 1 1 7 THR HA H -5.274 -0.844 4.037 1.00 . A A . 6 THR HA 1 1 16 7073 1 1 7 THR HB H -4.442 0.686 5.820 1.00 . A A . 6 THR HB 1 1 16 7074 1 1 7 THR HG1 H -5.877 1.114 7.566 1.00 . A A . 6 THR HG1 1 1 16 7075 1 1 7 THR HG21 H -6.848 0.968 4.242 1.00 . A A . 6 THR HG21 1 1 16 7076 1 1 7 THR HG22 H -5.576 2.147 4.570 1.00 . A A . 6 THR HG22 1 1 16 7077 1 1 7 THR HG23 H -6.920 1.962 5.697 1.00 . A A . 6 THR HG23 1 1 16 7078 1 1 7 THR N N -6.925 -1.503 5.086 1.00 . A A . 6 THR N 1 1 16 7079 1 1 7 THR O O -4.898 -2.530 6.773 1.00 . A A . 6 THR O 1 1 16 7080 1 1 7 THR OG1 O -5.987 0.275 7.112 1.00 . A A . 6 THR OG1 1 1 16 7081 1 1 8 TRP C C -1.272 -2.229 6.305 1.00 . A A . 7 TRP C 1 1 16 7082 1 1 8 TRP CA C -2.408 -3.014 5.660 1.00 . A A . 7 TRP CA 1 1 16 7083 1 1 8 TRP CB C -1.858 -3.913 4.551 1.00 . A A . 7 TRP CB 1 1 16 7084 1 1 8 TRP CD1 C -2.554 -2.730 2.386 1.00 . A A . 7 TRP CD1 1 1 16 7085 1 1 8 TRP CD2 C -0.341 -2.831 2.710 1.00 . A A . 7 TRP CD2 1 1 16 7086 1 1 8 TRP CE2 C -0.587 -2.162 1.495 1.00 . A A . 7 TRP CE2 1 1 16 7087 1 1 8 TRP CE3 C 0.983 -3.011 3.123 1.00 . A A . 7 TRP CE3 1 1 16 7088 1 1 8 TRP CG C -1.612 -3.185 3.264 1.00 . A A . 7 TRP CG 1 1 16 7089 1 1 8 TRP CH2 C 1.727 -1.866 1.120 1.00 . A A . 7 TRP CH2 1 1 16 7090 1 1 8 TRP CZ2 C 0.441 -1.675 0.692 1.00 . A A . 7 TRP CZ2 1 1 16 7091 1 1 8 TRP CZ3 C 2.002 -2.528 2.324 1.00 . A A . 7 TRP CZ3 1 1 16 7092 1 1 8 TRP H H -3.240 -1.623 4.299 1.00 . A A . 7 TRP H 1 1 16 7093 1 1 8 TRP HA H -2.875 -3.632 6.412 1.00 . A A . 7 TRP HA 1 1 16 7094 1 1 8 TRP HB2 H -0.922 -4.343 4.875 1.00 . A A . 7 TRP HB2 1 1 16 7095 1 1 8 TRP HB3 H -2.567 -4.706 4.356 1.00 . A A . 7 TRP HB3 1 1 16 7096 1 1 8 TRP HD1 H -3.618 -2.847 2.522 1.00 . A A . 7 TRP HD1 1 1 16 7097 1 1 8 TRP HE1 H -2.408 -1.705 0.558 1.00 . A A . 7 TRP HE1 1 1 16 7098 1 1 8 TRP HE3 H 1.215 -3.519 4.048 1.00 . A A . 7 TRP HE3 1 1 16 7099 1 1 8 TRP HH2 H 2.554 -1.507 0.528 1.00 . A A . 7 TRP HH2 1 1 16 7100 1 1 8 TRP HZ2 H 0.246 -1.162 -0.239 1.00 . A A . 7 TRP HZ2 1 1 16 7101 1 1 8 TRP HZ3 H 3.030 -2.659 2.627 1.00 . A A . 7 TRP HZ3 1 1 16 7102 1 1 8 TRP N N -3.424 -2.115 5.126 1.00 . A A . 7 TRP N 1 1 16 7103 1 1 8 TRP NE1 N -1.944 -2.114 1.320 1.00 . A A . 7 TRP NE1 1 1 16 7104 1 1 8 TRP O O -0.817 -1.220 5.764 1.00 . A A . 7 TRP O 1 1 16 7105 1 1 9 ASP C C 1.619 -2.642 7.799 1.00 . A A . 8 ASP C 1 1 16 7106 1 1 9 ASP CA C 0.270 -2.038 8.178 1.00 . A A . 8 ASP CA 1 1 16 7107 1 1 9 ASP CB C 0.054 -2.150 9.688 1.00 . A A . 8 ASP CB 1 1 16 7108 1 1 9 ASP CG C -1.401 -1.982 10.078 1.00 . A A . 8 ASP CG 1 1 16 7109 1 1 9 ASP H H -1.218 -3.506 7.840 1.00 . A A . 8 ASP H 1 1 16 7110 1 1 9 ASP HA H 0.266 -0.995 7.900 1.00 . A A . 8 ASP HA 1 1 16 7111 1 1 9 ASP HB2 H 0.386 -3.122 10.022 1.00 . A A . 8 ASP HB2 1 1 16 7112 1 1 9 ASP HB3 H 0.632 -1.385 10.185 1.00 . A A . 8 ASP HB3 1 1 16 7113 1 1 9 ASP N N -0.816 -2.697 7.461 1.00 . A A . 8 ASP N 1 1 16 7114 1 1 9 ASP O O 1.780 -3.864 7.779 1.00 . A A . 8 ASP O 1 1 16 7115 1 1 9 ASP OD1 O -2.250 -2.719 9.536 1.00 . A A . 8 ASP OD1 1 1 16 7116 1 1 9 ASP OD2 O -1.692 -1.112 10.927 1.00 . A A . 8 ASP OD2 1 1 16 7117 1 1 10 CYS C C 4.577 -3.003 8.254 1.00 . A A . 9 CYS C 1 1 16 7118 1 1 10 CYS CA C 3.918 -2.229 7.116 1.00 . A A . 9 CYS CA 1 1 16 7119 1 1 10 CYS CB C 4.788 -1.032 6.728 1.00 . A A . 9 CYS CB 1 1 16 7120 1 1 10 CYS H H 2.394 -0.819 7.531 1.00 . A A . 9 CYS H 1 1 16 7121 1 1 10 CYS HA H 3.818 -2.882 6.263 1.00 . A A . 9 CYS HA 1 1 16 7122 1 1 10 CYS HB2 H 4.167 -0.280 6.264 1.00 . A A . 9 CYS HB2 1 1 16 7123 1 1 10 CYS HB3 H 5.238 -0.619 7.619 1.00 . A A . 9 CYS HB3 1 1 16 7124 1 1 10 CYS N N 2.583 -1.781 7.497 1.00 . A A . 9 CYS N 1 1 16 7125 1 1 10 CYS O O 4.021 -3.113 9.347 1.00 . A A . 9 CYS O 1 1 16 7126 1 1 10 CYS SG S 6.131 -1.436 5.564 1.00 . A A . 9 CYS SG 1 1 16 7127 1 1 11 ASP C C 7.983 -3.951 8.958 1.00 . A A . 10 ASP C 1 1 16 7128 1 1 11 ASP CA C 6.499 -4.302 8.989 1.00 . A A . 10 ASP CA 1 1 16 7129 1 1 11 ASP CB C 6.312 -5.802 8.756 1.00 . A A . 10 ASP CB 1 1 16 7130 1 1 11 ASP CG C 4.974 -6.304 9.262 1.00 . A A . 10 ASP CG 1 1 16 7131 1 1 11 ASP H H 6.154 -3.416 7.098 1.00 . A A . 10 ASP H 1 1 16 7132 1 1 11 ASP HA H 6.101 -4.046 9.960 1.00 . A A . 10 ASP HA 1 1 16 7133 1 1 11 ASP HB2 H 6.375 -6.006 7.697 1.00 . A A . 10 ASP HB2 1 1 16 7134 1 1 11 ASP HB3 H 7.096 -6.340 9.269 1.00 . A A . 10 ASP HB3 1 1 16 7135 1 1 11 ASP N N 5.762 -3.539 7.988 1.00 . A A . 10 ASP N 1 1 16 7136 1 1 11 ASP O O 8.800 -4.598 9.614 1.00 . A A . 10 ASP O 1 1 16 7137 1 1 11 ASP OD1 O 3.971 -5.574 9.113 1.00 . A A . 10 ASP OD1 1 1 16 7138 1 1 11 ASP OD2 O 4.929 -7.428 9.806 1.00 . A A . 10 ASP OD2 1 1 16 7139 1 1 12 THR C C 9.847 -0.997 8.366 1.00 . A A . 11 THR C 1 1 16 7140 1 1 12 THR CA C 9.712 -2.486 8.070 1.00 . A A . 11 THR CA 1 1 16 7141 1 1 12 THR CB C 10.272 -2.771 6.663 1.00 . A A . 11 THR CB 1 1 16 7142 1 1 12 THR CG2 C 10.758 -1.489 6.004 1.00 . A A . 11 THR CG2 1 1 16 7143 1 1 12 THR H H 7.630 -2.446 7.690 1.00 . A A . 11 THR H 1 1 16 7144 1 1 12 THR HA H 10.299 -3.040 8.787 1.00 . A A . 11 THR HA 1 1 16 7145 1 1 12 THR HB H 9.483 -3.193 6.057 1.00 . A A . 11 THR HB 1 1 16 7146 1 1 12 THR HG1 H 11.950 -3.447 7.448 1.00 . A A . 11 THR HG1 1 1 16 7147 1 1 12 THR HG21 H 11.100 -1.706 5.003 1.00 . A A . 11 THR HG21 1 1 16 7148 1 1 12 THR HG22 H 11.571 -1.074 6.580 1.00 . A A . 11 THR HG22 1 1 16 7149 1 1 12 THR HG23 H 9.947 -0.778 5.960 1.00 . A A . 11 THR HG23 1 1 16 7150 1 1 12 THR N N 8.327 -2.922 8.189 1.00 . A A . 11 THR N 1 1 16 7151 1 1 12 THR O O 10.828 -0.559 8.969 1.00 . A A . 11 THR O 1 1 16 7152 1 1 12 THR OG1 O 11.350 -3.710 6.746 1.00 . A A . 11 THR OG1 1 1 16 7153 1 1 13 CYS C C 7.728 1.635 9.087 1.00 . A A . 12 CYS C 1 1 16 7154 1 1 13 CYS CA C 8.864 1.220 8.158 1.00 . A A . 12 CYS CA 1 1 16 7155 1 1 13 CYS CB C 8.743 1.961 6.824 1.00 . A A . 12 CYS CB 1 1 16 7156 1 1 13 CYS H H 8.101 -0.628 7.463 1.00 . A A . 12 CYS H 1 1 16 7157 1 1 13 CYS HA H 9.804 1.481 8.620 1.00 . A A . 12 CYS HA 1 1 16 7158 1 1 13 CYS HB2 H 9.260 2.907 6.898 1.00 . A A . 12 CYS HB2 1 1 16 7159 1 1 13 CYS HB3 H 9.201 1.366 6.047 1.00 . A A . 12 CYS HB3 1 1 16 7160 1 1 13 CYS N N 8.857 -0.221 7.938 1.00 . A A . 12 CYS N 1 1 16 7161 1 1 13 CYS O O 7.636 2.793 9.496 1.00 . A A . 12 CYS O 1 1 16 7162 1 1 13 CYS SG S 7.027 2.308 6.319 1.00 . A A . 12 CYS SG 1 1 16 7163 1 1 14 LEU C C 4.829 2.030 9.717 1.00 . A A . 13 LEU C 1 1 16 7164 1 1 14 LEU CA C 5.732 0.947 10.299 1.00 . A A . 13 LEU CA 1 1 16 7165 1 1 14 LEU CB C 6.227 1.370 11.683 1.00 . A A . 13 LEU CB 1 1 16 7166 1 1 14 LEU CD1 C 7.964 -0.249 12.486 1.00 . A A . 13 LEU CD1 1 1 16 7167 1 1 14 LEU CD2 C 6.295 0.689 14.095 1.00 . A A . 13 LEU CD2 1 1 16 7168 1 1 14 LEU CG C 6.534 0.236 12.662 1.00 . A A . 13 LEU CG 1 1 16 7169 1 1 14 LEU H H 6.988 -0.222 9.061 1.00 . A A . 13 LEU H 1 1 16 7170 1 1 14 LEU HA H 5.164 0.034 10.393 1.00 . A A . 13 LEU HA 1 1 16 7171 1 1 14 LEU HB2 H 7.131 1.945 11.550 1.00 . A A . 13 LEU HB2 1 1 16 7172 1 1 14 LEU HB3 H 5.467 1.997 12.128 1.00 . A A . 13 LEU HB3 1 1 16 7173 1 1 14 LEU HD11 H 8.528 0.487 11.933 1.00 . A A . 13 LEU HD11 1 1 16 7174 1 1 14 LEU HD12 H 7.964 -1.184 11.944 1.00 . A A . 13 LEU HD12 1 1 16 7175 1 1 14 LEU HD13 H 8.416 -0.397 13.455 1.00 . A A . 13 LEU HD13 1 1 16 7176 1 1 14 LEU HD21 H 5.274 1.025 14.201 1.00 . A A . 13 LEU HD21 1 1 16 7177 1 1 14 LEU HD22 H 6.968 1.500 14.333 1.00 . A A . 13 LEU HD22 1 1 16 7178 1 1 14 LEU HD23 H 6.474 -0.136 14.768 1.00 . A A . 13 LEU HD23 1 1 16 7179 1 1 14 LEU HG H 5.873 -0.595 12.459 1.00 . A A . 13 LEU HG 1 1 16 7180 1 1 14 LEU N N 6.864 0.682 9.417 1.00 . A A . 13 LEU N 1 1 16 7181 1 1 14 LEU O O 4.809 3.163 10.200 1.00 . A A . 13 LEU O 1 1 16 7182 1 1 15 VAL C C 1.984 1.891 7.410 1.00 . A A . 14 VAL C 1 1 16 7183 1 1 15 VAL CA C 3.175 2.614 8.030 1.00 . A A . 14 VAL CA 1 1 16 7184 1 1 15 VAL CB C 3.894 3.427 6.938 1.00 . A A . 14 VAL CB 1 1 16 7185 1 1 15 VAL CG1 C 2.889 4.209 6.105 1.00 . A A . 14 VAL CG1 1 1 16 7186 1 1 15 VAL CG2 C 4.923 4.360 7.559 1.00 . A A . 14 VAL CG2 1 1 16 7187 1 1 15 VAL H H 4.142 0.757 8.337 1.00 . A A . 14 VAL H 1 1 16 7188 1 1 15 VAL HA H 2.814 3.302 8.782 1.00 . A A . 14 VAL HA 1 1 16 7189 1 1 15 VAL HB H 4.410 2.739 6.286 1.00 . A A . 14 VAL HB 1 1 16 7190 1 1 15 VAL HG11 H 3.376 5.067 5.664 1.00 . A A . 14 VAL HG11 1 1 16 7191 1 1 15 VAL HG12 H 2.497 3.575 5.323 1.00 . A A . 14 VAL HG12 1 1 16 7192 1 1 15 VAL HG13 H 2.080 4.543 6.737 1.00 . A A . 14 VAL HG13 1 1 16 7193 1 1 15 VAL HG21 H 5.587 3.791 8.191 1.00 . A A . 14 VAL HG21 1 1 16 7194 1 1 15 VAL HG22 H 5.493 4.840 6.777 1.00 . A A . 14 VAL HG22 1 1 16 7195 1 1 15 VAL HG23 H 4.420 5.111 8.149 1.00 . A A . 14 VAL HG23 1 1 16 7196 1 1 15 VAL N N 4.082 1.675 8.677 1.00 . A A . 14 VAL N 1 1 16 7197 1 1 15 VAL O O 2.147 0.876 6.734 1.00 . A A . 14 VAL O 1 1 16 7198 1 1 16 GLN C C -0.699 2.320 5.690 1.00 . A A . 15 GLN C 1 1 16 7199 1 1 16 GLN CA C -0.429 1.826 7.108 1.00 . A A . 15 GLN CA 1 1 16 7200 1 1 16 GLN CB C -1.622 2.153 8.009 1.00 . A A . 15 GLN CB 1 1 16 7201 1 1 16 GLN CD C -3.105 1.369 9.899 1.00 . A A . 15 GLN CD 1 1 16 7202 1 1 16 GLN CG C -1.785 1.190 9.174 1.00 . A A . 15 GLN CG 1 1 16 7203 1 1 16 GLN H H 0.723 3.232 8.191 1.00 . A A . 15 GLN H 1 1 16 7204 1 1 16 GLN HA H -0.292 0.756 7.083 1.00 . A A . 15 GLN HA 1 1 16 7205 1 1 16 GLN HB2 H -1.495 3.148 8.407 1.00 . A A . 15 GLN HB2 1 1 16 7206 1 1 16 GLN HB3 H -2.524 2.122 7.417 1.00 . A A . 15 GLN HB3 1 1 16 7207 1 1 16 GLN HE21 H -2.148 1.775 11.594 1.00 . A A . 15 GLN HE21 1 1 16 7208 1 1 16 GLN HE22 H -3.873 1.801 11.681 1.00 . A A . 15 GLN HE22 1 1 16 7209 1 1 16 GLN HG2 H -1.732 0.178 8.799 1.00 . A A . 15 GLN HG2 1 1 16 7210 1 1 16 GLN HG3 H -0.980 1.355 9.875 1.00 . A A . 15 GLN HG3 1 1 16 7211 1 1 16 GLN N N 0.788 2.422 7.644 1.00 . A A . 15 GLN N 1 1 16 7212 1 1 16 GLN NE2 N -3.036 1.679 11.188 1.00 . A A . 15 GLN NE2 1 1 16 7213 1 1 16 GLN O O -0.375 3.456 5.346 1.00 . A A . 15 GLN O 1 1 16 7214 1 1 16 GLN OE1 O -4.175 1.230 9.306 1.00 . A A . 15 GLN OE1 1 1 16 7215 1 1 17 ASN C C -2.924 1.178 3.055 1.00 . A A . 16 ASN C 1 1 16 7216 1 1 17 ASN CA C -1.603 1.806 3.490 1.00 . A A . 16 ASN CA 1 1 16 7217 1 1 17 ASN CB C -0.478 1.350 2.560 1.00 . A A . 16 ASN CB 1 1 16 7218 1 1 17 ASN CG C 0.875 1.350 3.246 1.00 . A A . 16 ASN CG 1 1 16 7219 1 1 17 ASN H H -1.526 0.565 5.203 1.00 . A A . 16 ASN H 1 1 16 7220 1 1 17 ASN HA H -1.693 2.880 3.432 1.00 . A A . 16 ASN HA 1 1 16 7221 1 1 17 ASN HB2 H -0.686 0.345 2.220 1.00 . A A . 16 ASN HB2 1 1 16 7222 1 1 17 ASN HB3 H -0.430 2.011 1.709 1.00 . A A . 16 ASN HB3 1 1 16 7223 1 1 17 ASN HD21 H 0.239 -0.003 4.557 1.00 . A A . 16 ASN HD21 1 1 16 7224 1 1 17 ASN HD22 H 1.873 0.525 4.753 1.00 . A A . 16 ASN HD22 1 1 16 7225 1 1 17 ASN N N -1.292 1.458 4.871 1.00 . A A . 16 ASN N 1 1 16 7226 1 1 17 ASN ND2 N 1.009 0.543 4.291 1.00 . A A . 16 ASN ND2 1 1 16 7227 1 1 17 ASN O O -3.370 0.182 3.627 1.00 . A A . 16 ASN O 1 1 16 7228 1 1 17 ASN OD1 O 1.788 2.071 2.840 1.00 . A A . 16 ASN OD1 1 1 16 7229 1 1 18 LYS C C -4.619 -0.060 0.790 1.00 . A A . 17 LYS C 1 1 16 7230 1 1 18 LYS CA C -4.815 1.263 1.524 1.00 . A A . 17 LYS CA 1 1 16 7231 1 1 18 LYS CB C -5.450 2.290 0.584 1.00 . A A . 17 LYS CB 1 1 16 7232 1 1 18 LYS CD C -5.662 3.131 -1.773 1.00 . A A . 17 LYS CD 1 1 16 7233 1 1 18 LYS CE C -5.501 4.623 -1.529 1.00 . A A . 17 LYS CE 1 1 16 7234 1 1 18 LYS CG C -4.827 2.314 -0.802 1.00 . A A . 17 LYS CG 1 1 16 7235 1 1 18 LYS H H -3.141 2.555 1.623 1.00 . A A . 17 LYS H 1 1 16 7236 1 1 18 LYS HA H -5.473 1.101 2.364 1.00 . A A . 17 LYS HA 1 1 16 7237 1 1 18 LYS HB2 H -6.501 2.064 0.481 1.00 . A A . 17 LYS HB2 1 1 16 7238 1 1 18 LYS HB3 H -5.344 3.273 1.020 1.00 . A A . 17 LYS HB3 1 1 16 7239 1 1 18 LYS HD2 H -5.346 2.907 -2.782 1.00 . A A . 17 LYS HD2 1 1 16 7240 1 1 18 LYS HD3 H -6.702 2.865 -1.653 1.00 . A A . 17 LYS HD3 1 1 16 7241 1 1 18 LYS HE2 H -6.293 5.147 -2.040 1.00 . A A . 17 LYS HE2 1 1 16 7242 1 1 18 LYS HE3 H -5.573 4.810 -0.467 1.00 . A A . 17 LYS HE3 1 1 16 7243 1 1 18 LYS HG2 H -3.841 2.749 -0.737 1.00 . A A . 17 LYS HG2 1 1 16 7244 1 1 18 LYS HG3 H -4.752 1.300 -1.169 1.00 . A A . 17 LYS HG3 1 1 16 7245 1 1 18 LYS HZ1 H -4.308 5.586 -2.947 1.00 . A A . 17 LYS HZ1 1 1 16 7246 1 1 18 LYS HZ2 H -3.518 4.340 -2.120 1.00 . A A . 17 LYS HZ2 1 1 16 7247 1 1 18 LYS HZ3 H -3.798 5.820 -1.351 1.00 . A A . 17 LYS HZ3 1 1 16 7248 1 1 18 LYS N N -3.546 1.764 2.039 1.00 . A A . 17 LYS N 1 1 16 7249 1 1 18 LYS NZ N -4.189 5.128 -2.021 1.00 . A A . 17 LYS NZ 1 1 16 7250 1 1 18 LYS O O -3.588 -0.302 0.162 1.00 . A A . 17 LYS O 1 1 16 7251 1 1 19 PRO C C -5.674 -2.144 -1.302 1.00 . A A . 18 PRO C 1 1 16 7252 1 1 19 PRO CA C -5.595 -2.249 0.217 1.00 . A A . 18 PRO CA 1 1 16 7253 1 1 19 PRO CB C -6.835 -2.955 0.770 1.00 . A A . 18 PRO CB 1 1 16 7254 1 1 19 PRO CD C -6.890 -0.714 1.600 1.00 . A A . 18 PRO CD 1 1 16 7255 1 1 19 PRO CG C -7.762 -1.851 1.147 1.00 . A A . 18 PRO CG 1 1 16 7256 1 1 19 PRO HA H -4.709 -2.804 0.493 1.00 . A A . 18 PRO HA 1 1 16 7257 1 1 19 PRO HB2 H -7.262 -3.588 0.006 1.00 . A A . 18 PRO HB2 1 1 16 7258 1 1 19 PRO HB3 H -6.561 -3.551 1.628 1.00 . A A . 18 PRO HB3 1 1 16 7259 1 1 19 PRO HD2 H -7.332 0.233 1.327 1.00 . A A . 18 PRO HD2 1 1 16 7260 1 1 19 PRO HD3 H -6.729 -0.764 2.667 1.00 . A A . 18 PRO HD3 1 1 16 7261 1 1 19 PRO HG2 H -8.348 -1.556 0.289 1.00 . A A . 18 PRO HG2 1 1 16 7262 1 1 19 PRO HG3 H -8.407 -2.173 1.951 1.00 . A A . 18 PRO HG3 1 1 16 7263 1 1 19 PRO N N -5.631 -0.937 0.869 1.00 . A A . 18 PRO N 1 1 16 7264 1 1 19 PRO O O -5.471 -3.128 -2.012 1.00 . A A . 18 PRO O 1 1 16 7265 1 1 20 GLU C C -4.715 -0.375 -3.828 1.00 . A A . 19 GLU C 1 1 16 7266 1 1 20 GLU CA C -6.077 -0.712 -3.229 1.00 . A A . 19 GLU CA 1 1 16 7267 1 1 20 GLU CB C -7.067 0.419 -3.513 1.00 . A A . 19 GLU CB 1 1 16 7268 1 1 20 GLU CD C -7.812 2.234 -5.102 1.00 . A A . 19 GLU CD 1 1 16 7269 1 1 20 GLU CG C -6.755 1.197 -4.780 1.00 . A A . 19 GLU CG 1 1 16 7270 1 1 20 GLU H H -6.121 -0.199 -1.175 1.00 . A A . 19 GLU H 1 1 16 7271 1 1 20 GLU HA H -6.442 -1.621 -3.685 1.00 . A A . 19 GLU HA 1 1 16 7272 1 1 20 GLU HB2 H -8.058 -0.001 -3.608 1.00 . A A . 19 GLU HB2 1 1 16 7273 1 1 20 GLU HB3 H -7.056 1.107 -2.681 1.00 . A A . 19 GLU HB3 1 1 16 7274 1 1 20 GLU HG2 H -5.806 1.698 -4.655 1.00 . A A . 19 GLU HG2 1 1 16 7275 1 1 20 GLU HG3 H -6.687 0.504 -5.606 1.00 . A A . 19 GLU HG3 1 1 16 7276 1 1 20 GLU N N -5.970 -0.944 -1.793 1.00 . A A . 19 GLU N 1 1 16 7277 1 1 20 GLU O O -4.570 -0.269 -5.046 1.00 . A A . 19 GLU O 1 1 16 7278 1 1 20 GLU OE1 O -7.843 3.283 -4.425 1.00 . A A . 19 GLU OE1 1 1 16 7279 1 1 20 GLU OE2 O -8.609 1.999 -6.035 1.00 . A A . 19 GLU OE2 1 1 16 7280 1 1 21 ALA C C -1.564 -1.145 -3.684 1.00 . A A . 20 ALA C 1 1 16 7281 1 1 21 ALA CA C -2.370 0.120 -3.406 1.00 . A A . 20 ALA CA 1 1 16 7282 1 1 21 ALA CB C -1.666 0.980 -2.366 1.00 . A A . 20 ALA CB 1 1 16 7283 1 1 21 ALA H H -3.899 -0.302 -2.005 1.00 . A A . 20 ALA H 1 1 16 7284 1 1 21 ALA HA H -2.447 0.694 -4.318 1.00 . A A . 20 ALA HA 1 1 16 7285 1 1 21 ALA HB1 H -1.618 0.442 -1.430 1.00 . A A . 20 ALA HB1 1 1 16 7286 1 1 21 ALA HB2 H -0.666 1.205 -2.704 1.00 . A A . 20 ALA HB2 1 1 16 7287 1 1 21 ALA HB3 H -2.216 1.897 -2.226 1.00 . A A . 20 ALA HB3 1 1 16 7288 1 1 21 ALA N N -3.721 -0.205 -2.964 1.00 . A A . 20 ALA N 1 1 16 7289 1 1 21 ALA O O -1.964 -2.244 -3.297 1.00 . A A . 20 ALA O 1 1 16 7290 1 1 22 ILE C C 1.670 -2.134 -3.797 1.00 . A A . 21 ILE C 1 1 16 7291 1 1 22 ILE CA C 0.432 -2.111 -4.685 1.00 . A A . 21 ILE CA 1 1 16 7292 1 1 22 ILE CB C 0.871 -2.071 -6.161 1.00 . A A . 21 ILE CB 1 1 16 7293 1 1 22 ILE CD1 C 2.339 -4.050 -6.802 1.00 . A A . 21 ILE CD1 1 1 16 7294 1 1 22 ILE CG1 C 0.936 -3.489 -6.734 1.00 . A A . 21 ILE CG1 1 1 16 7295 1 1 22 ILE CG2 C 2.220 -1.380 -6.293 1.00 . A A . 21 ILE CG2 1 1 16 7296 1 1 22 ILE H H -0.165 -0.081 -4.638 1.00 . A A . 21 ILE H 1 1 16 7297 1 1 22 ILE HA H -0.133 -3.018 -4.522 1.00 . A A . 21 ILE HA 1 1 16 7298 1 1 22 ILE HB H 0.145 -1.499 -6.716 1.00 . A A . 21 ILE HB 1 1 16 7299 1 1 22 ILE HD11 H 2.296 -5.100 -7.051 1.00 . A A . 21 ILE HD11 1 1 16 7300 1 1 22 ILE HD12 H 2.902 -3.522 -7.557 1.00 . A A . 21 ILE HD12 1 1 16 7301 1 1 22 ILE HD13 H 2.822 -3.929 -5.843 1.00 . A A . 21 ILE HD13 1 1 16 7302 1 1 22 ILE HG12 H 0.346 -4.148 -6.116 1.00 . A A . 21 ILE HG12 1 1 16 7303 1 1 22 ILE HG13 H 0.531 -3.483 -7.736 1.00 . A A . 21 ILE HG13 1 1 16 7304 1 1 22 ILE HG21 H 2.966 -1.936 -5.746 1.00 . A A . 21 ILE HG21 1 1 16 7305 1 1 22 ILE HG22 H 2.499 -1.332 -7.335 1.00 . A A . 21 ILE HG22 1 1 16 7306 1 1 22 ILE HG23 H 2.152 -0.379 -5.893 1.00 . A A . 21 ILE HG23 1 1 16 7307 1 1 22 ILE N N -0.430 -0.982 -4.356 1.00 . A A . 21 ILE N 1 1 16 7308 1 1 22 ILE O O 2.272 -3.185 -3.579 1.00 . A A . 21 ILE O 1 1 16 7309 1 1 23 LYS C C 2.963 0.161 -1.303 1.00 . A A . 22 LYS C 1 1 16 7310 1 1 23 LYS CA C 3.212 -0.852 -2.416 1.00 . A A . 22 LYS CA 1 1 16 7311 1 1 23 LYS CB C 4.440 -0.440 -3.230 1.00 . A A . 22 LYS CB 1 1 16 7312 1 1 23 LYS CD C 4.366 2.063 -3.440 1.00 . A A . 22 LYS CD 1 1 16 7313 1 1 23 LYS CE C 4.188 3.238 -4.388 1.00 . A A . 22 LYS CE 1 1 16 7314 1 1 23 LYS CG C 4.189 0.735 -4.159 1.00 . A A . 22 LYS CG 1 1 16 7315 1 1 23 LYS H H 1.525 -0.163 -3.495 1.00 . A A . 22 LYS H 1 1 16 7316 1 1 23 LYS HA H 3.393 -1.819 -1.973 1.00 . A A . 22 LYS HA 1 1 16 7317 1 1 23 LYS HB2 H 5.235 -0.170 -2.549 1.00 . A A . 22 LYS HB2 1 1 16 7318 1 1 23 LYS HB3 H 4.761 -1.282 -3.827 1.00 . A A . 22 LYS HB3 1 1 16 7319 1 1 23 LYS HD2 H 3.632 2.136 -2.651 1.00 . A A . 22 LYS HD2 1 1 16 7320 1 1 23 LYS HD3 H 5.359 2.101 -3.014 1.00 . A A . 22 LYS HD3 1 1 16 7321 1 1 23 LYS HE2 H 4.230 4.153 -3.818 1.00 . A A . 22 LYS HE2 1 1 16 7322 1 1 23 LYS HE3 H 4.992 3.227 -5.110 1.00 . A A . 22 LYS HE3 1 1 16 7323 1 1 23 LYS HG2 H 4.886 0.688 -4.982 1.00 . A A . 22 LYS HG2 1 1 16 7324 1 1 23 LYS HG3 H 3.179 0.673 -4.537 1.00 . A A . 22 LYS HG3 1 1 16 7325 1 1 23 LYS HZ1 H 2.254 2.494 -4.647 1.00 . A A . 22 LYS HZ1 1 1 16 7326 1 1 23 LYS HZ2 H 3.039 2.876 -6.094 1.00 . A A . 22 LYS HZ2 1 1 16 7327 1 1 23 LYS HZ3 H 2.433 4.111 -5.110 1.00 . A A . 22 LYS HZ3 1 1 16 7328 1 1 23 LYS N N 2.046 -0.968 -3.284 1.00 . A A . 22 LYS N 1 1 16 7329 1 1 23 LYS NZ N 2.887 3.176 -5.111 1.00 . A A . 22 LYS NZ 1 1 16 7330 1 1 23 LYS O O 1.937 0.840 -1.285 1.00 . A A . 22 LYS O 1 1 16 7331 1 1 24 CYS C C 3.857 2.634 0.254 1.00 . A A . 23 CYS C 1 1 16 7332 1 1 24 CYS CA C 3.795 1.189 0.741 1.00 . A A . 23 CYS CA 1 1 16 7333 1 1 24 CYS CB C 4.907 0.935 1.760 1.00 . A A . 23 CYS CB 1 1 16 7334 1 1 24 CYS H H 4.707 -0.310 -0.443 1.00 . A A . 23 CYS H 1 1 16 7335 1 1 24 CYS HA H 2.840 1.023 1.215 1.00 . A A . 23 CYS HA 1 1 16 7336 1 1 24 CYS HB2 H 5.135 -0.122 1.778 1.00 . A A . 23 CYS HB2 1 1 16 7337 1 1 24 CYS HB3 H 5.789 1.483 1.463 1.00 . A A . 23 CYS HB3 1 1 16 7338 1 1 24 CYS N N 3.910 0.258 -0.376 1.00 . A A . 23 CYS N 1 1 16 7339 1 1 24 CYS O O 4.469 2.928 -0.774 1.00 . A A . 23 CYS O 1 1 16 7340 1 1 24 CYS SG S 4.487 1.438 3.460 1.00 . A A . 23 CYS SG 1 1 16 7341 1 1 25 VAL C C 4.190 5.737 1.494 1.00 . A A . 24 VAL C 1 1 16 7342 1 1 25 VAL CA C 3.203 4.946 0.643 1.00 . A A . 24 VAL CA 1 1 16 7343 1 1 25 VAL CB C 1.797 5.550 0.812 1.00 . A A . 24 VAL CB 1 1 16 7344 1 1 25 VAL CG1 C 1.425 5.638 2.284 1.00 . A A . 24 VAL CG1 1 1 16 7345 1 1 25 VAL CG2 C 1.723 6.919 0.152 1.00 . A A . 24 VAL CG2 1 1 16 7346 1 1 25 VAL H H 2.751 3.236 1.805 1.00 . A A . 24 VAL H 1 1 16 7347 1 1 25 VAL HA H 3.488 5.032 -0.395 1.00 . A A . 24 VAL HA 1 1 16 7348 1 1 25 VAL HB H 1.087 4.899 0.322 1.00 . A A . 24 VAL HB 1 1 16 7349 1 1 25 VAL HG11 H 2.160 6.234 2.805 1.00 . A A . 24 VAL HG11 1 1 16 7350 1 1 25 VAL HG12 H 0.453 6.096 2.384 1.00 . A A . 24 VAL HG12 1 1 16 7351 1 1 25 VAL HG13 H 1.402 4.645 2.709 1.00 . A A . 24 VAL HG13 1 1 16 7352 1 1 25 VAL HG21 H 0.802 6.999 -0.406 1.00 . A A . 24 VAL HG21 1 1 16 7353 1 1 25 VAL HG22 H 1.751 7.687 0.911 1.00 . A A . 24 VAL HG22 1 1 16 7354 1 1 25 VAL HG23 H 2.563 7.043 -0.516 1.00 . A A . 24 VAL HG23 1 1 16 7355 1 1 25 VAL N N 3.220 3.531 0.998 1.00 . A A . 24 VAL N 1 1 16 7356 1 1 25 VAL O O 4.119 6.964 1.565 1.00 . A A . 24 VAL O 1 1 16 7357 1 1 26 ALA C C 7.512 5.162 2.646 1.00 . A A . 25 ALA C 1 1 16 7358 1 1 26 ALA CA C 6.113 5.663 2.984 1.00 . A A . 25 ALA CA 1 1 16 7359 1 1 26 ALA CB C 5.801 5.415 4.452 1.00 . A A . 25 ALA CB 1 1 16 7360 1 1 26 ALA H H 5.115 4.052 2.043 1.00 . A A . 25 ALA H 1 1 16 7361 1 1 26 ALA HA H 6.070 6.728 2.807 1.00 . A A . 25 ALA HA 1 1 16 7362 1 1 26 ALA HB1 H 5.029 6.099 4.776 1.00 . A A . 25 ALA HB1 1 1 16 7363 1 1 26 ALA HB2 H 5.458 4.398 4.580 1.00 . A A . 25 ALA HB2 1 1 16 7364 1 1 26 ALA HB3 H 6.692 5.572 5.040 1.00 . A A . 25 ALA HB3 1 1 16 7365 1 1 26 ALA N N 5.109 5.027 2.139 1.00 . A A . 25 ALA N 1 1 16 7366 1 1 26 ALA O O 8.445 5.950 2.491 1.00 . A A . 25 ALA O 1 1 16 7367 1 1 27 CYS C C 8.936 2.662 0.803 1.00 . A A . 26 CYS C 1 1 16 7368 1 1 27 CYS CA C 8.940 3.237 2.217 1.00 . A A . 26 CYS CA 1 1 16 7369 1 1 27 CYS CB C 9.270 2.136 3.226 1.00 . A A . 26 CYS CB 1 1 16 7370 1 1 27 CYS H H 6.873 3.267 2.669 1.00 . A A . 26 CYS H 1 1 16 7371 1 1 27 CYS HA H 9.694 4.007 2.277 1.00 . A A . 26 CYS HA 1 1 16 7372 1 1 27 CYS HB2 H 10.314 1.871 3.129 1.00 . A A . 26 CYS HB2 1 1 16 7373 1 1 27 CYS HB3 H 9.090 2.507 4.224 1.00 . A A . 26 CYS HB3 1 1 16 7374 1 1 27 CYS N N 7.654 3.844 2.534 1.00 . A A . 26 CYS N 1 1 16 7375 1 1 27 CYS O O 9.987 2.345 0.248 1.00 . A A . 26 CYS O 1 1 16 7376 1 1 27 CYS SG S 8.293 0.614 3.013 1.00 . A A . 26 CYS SG 1 1 16 7377 1 1 28 GLU C C 7.919 0.503 -1.148 1.00 . A A . 27 GLU C 1 1 16 7378 1 1 28 GLU CA C 7.604 1.995 -1.122 1.00 . A A . 27 GLU CA 1 1 16 7379 1 1 28 GLU CB C 8.525 2.741 -2.090 1.00 . A A . 27 GLU CB 1 1 16 7380 1 1 28 GLU CD C 9.613 4.722 -0.962 1.00 . A A . 27 GLU CD 1 1 16 7381 1 1 28 GLU CG C 8.519 4.247 -1.899 1.00 . A A . 27 GLU CG 1 1 16 7382 1 1 28 GLU H H 6.943 2.803 0.720 1.00 . A A . 27 GLU H 1 1 16 7383 1 1 28 GLU HA H 6.580 2.140 -1.431 1.00 . A A . 27 GLU HA 1 1 16 7384 1 1 28 GLU HB2 H 9.536 2.385 -1.952 1.00 . A A . 27 GLU HB2 1 1 16 7385 1 1 28 GLU HB3 H 8.213 2.526 -3.101 1.00 . A A . 27 GLU HB3 1 1 16 7386 1 1 28 GLU HG2 H 8.660 4.720 -2.860 1.00 . A A . 27 GLU HG2 1 1 16 7387 1 1 28 GLU HG3 H 7.563 4.542 -1.491 1.00 . A A . 27 GLU HG3 1 1 16 7388 1 1 28 GLU N N 7.744 2.533 0.227 1.00 . A A . 27 GLU N 1 1 16 7389 1 1 28 GLU O O 8.664 0.029 -2.008 1.00 . A A . 27 GLU O 1 1 16 7390 1 1 28 GLU OE1 O 10.783 4.346 -1.177 1.00 . A A . 27 GLU OE1 1 1 16 7391 1 1 28 GLU OE2 O 9.296 5.469 -0.012 1.00 . A A . 27 GLU OE2 1 1 16 7392 1 1 29 THR C C 6.537 -2.438 -0.931 1.00 . A A . 28 THR C 1 1 16 7393 1 1 29 THR CA C 7.570 -1.672 -0.113 1.00 . A A . 28 THR CA 1 1 16 7394 1 1 29 THR CB C 7.518 -2.160 1.347 1.00 . A A . 28 THR CB 1 1 16 7395 1 1 29 THR CG2 C 6.718 -3.450 1.457 1.00 . A A . 28 THR CG2 1 1 16 7396 1 1 29 THR H H 6.766 0.202 0.456 1.00 . A A . 28 THR H 1 1 16 7397 1 1 29 THR HA H 8.554 -1.882 -0.506 1.00 . A A . 28 THR HA 1 1 16 7398 1 1 29 THR HB H 7.035 -1.402 1.947 1.00 . A A . 28 THR HB 1 1 16 7399 1 1 29 THR HG1 H 9.364 -2.830 1.175 1.00 . A A . 28 THR HG1 1 1 16 7400 1 1 29 THR HG21 H 7.003 -4.121 0.660 1.00 . A A . 28 THR HG21 1 1 16 7401 1 1 29 THR HG22 H 5.664 -3.227 1.381 1.00 . A A . 28 THR HG22 1 1 16 7402 1 1 29 THR HG23 H 6.919 -3.917 2.410 1.00 . A A . 28 THR HG23 1 1 16 7403 1 1 29 THR N N 7.349 -0.234 -0.201 1.00 . A A . 28 THR N 1 1 16 7404 1 1 29 THR O O 5.373 -2.047 -1.027 1.00 . A A . 28 THR O 1 1 16 7405 1 1 29 THR OG1 O 8.844 -2.373 1.840 1.00 . A A . 28 THR OG1 1 1 16 7406 1 1 30 PRO C C 5.051 -5.137 -1.521 1.00 . A A . 29 PRO C 1 1 16 7407 1 1 30 PRO CA C 6.095 -4.399 -2.355 1.00 . A A . 29 PRO CA 1 1 16 7408 1 1 30 PRO CB C 7.065 -5.394 -2.997 1.00 . A A . 29 PRO CB 1 1 16 7409 1 1 30 PRO CD C 8.342 -4.080 -1.463 1.00 . A A . 29 PRO CD 1 1 16 7410 1 1 30 PRO CG C 8.222 -5.454 -2.061 1.00 . A A . 29 PRO CG 1 1 16 7411 1 1 30 PRO HA H 5.599 -3.828 -3.126 1.00 . A A . 29 PRO HA 1 1 16 7412 1 1 30 PRO HB2 H 6.585 -6.358 -3.095 1.00 . A A . 29 PRO HB2 1 1 16 7413 1 1 30 PRO HB3 H 7.362 -5.034 -3.971 1.00 . A A . 29 PRO HB3 1 1 16 7414 1 1 30 PRO HD2 H 8.679 -4.142 -0.439 1.00 . A A . 29 PRO HD2 1 1 16 7415 1 1 30 PRO HD3 H 9.017 -3.471 -2.047 1.00 . A A . 29 PRO HD3 1 1 16 7416 1 1 30 PRO HG2 H 8.032 -6.184 -1.289 1.00 . A A . 29 PRO HG2 1 1 16 7417 1 1 30 PRO HG3 H 9.120 -5.706 -2.604 1.00 . A A . 29 PRO HG3 1 1 16 7418 1 1 30 PRO N N 6.969 -3.555 -1.535 1.00 . A A . 29 PRO N 1 1 16 7419 1 1 30 PRO O O 5.388 -5.988 -0.698 1.00 . A A . 29 PRO O 1 1 16 7420 1 1 31 LYS C C 2.706 -6.946 -1.204 1.00 . A A . 30 LYS C 1 1 16 7421 1 1 31 LYS CA C 2.691 -5.434 -1.009 1.00 . A A . 30 LYS CA 1 1 16 7422 1 1 31 LYS CB C 1.347 -4.863 -1.470 1.00 . A A . 30 LYS CB 1 1 16 7423 1 1 31 LYS CD C -1.033 -5.561 -1.869 1.00 . A A . 30 LYS CD 1 1 16 7424 1 1 31 LYS CE C -2.029 -4.483 -1.472 1.00 . A A . 30 LYS CE 1 1 16 7425 1 1 31 LYS CG C 0.147 -5.609 -0.912 1.00 . A A . 30 LYS CG 1 1 16 7426 1 1 31 LYS H H 3.579 -4.116 -2.408 1.00 . A A . 30 LYS H 1 1 16 7427 1 1 31 LYS HA H 2.824 -5.217 0.040 1.00 . A A . 30 LYS HA 1 1 16 7428 1 1 31 LYS HB2 H 1.282 -3.832 -1.156 1.00 . A A . 30 LYS HB2 1 1 16 7429 1 1 31 LYS HB3 H 1.302 -4.907 -2.548 1.00 . A A . 30 LYS HB3 1 1 16 7430 1 1 31 LYS HD2 H -0.670 -5.350 -2.864 1.00 . A A . 30 LYS HD2 1 1 16 7431 1 1 31 LYS HD3 H -1.531 -6.521 -1.860 1.00 . A A . 30 LYS HD3 1 1 16 7432 1 1 31 LYS HE2 H -2.392 -4.695 -0.478 1.00 . A A . 30 LYS HE2 1 1 16 7433 1 1 31 LYS HE3 H -1.527 -3.527 -1.476 1.00 . A A . 30 LYS HE3 1 1 16 7434 1 1 31 LYS HG2 H 0.420 -6.640 -0.745 1.00 . A A . 30 LYS HG2 1 1 16 7435 1 1 31 LYS HG3 H -0.143 -5.156 0.025 1.00 . A A . 30 LYS HG3 1 1 16 7436 1 1 31 LYS HZ1 H -3.486 -3.440 -2.546 1.00 . A A . 30 LYS HZ1 1 1 16 7437 1 1 31 LYS HZ2 H -3.986 -4.968 -2.019 1.00 . A A . 30 LYS HZ2 1 1 16 7438 1 1 31 LYS HZ3 H -2.923 -4.831 -3.328 1.00 . A A . 30 LYS HZ3 1 1 16 7439 1 1 31 LYS N N 3.784 -4.803 -1.739 1.00 . A A . 30 LYS N 1 1 16 7440 1 1 31 LYS NZ N -3.187 -4.427 -2.407 1.00 . A A . 30 LYS NZ 1 1 16 7441 1 1 31 LYS O O 3.015 -7.453 -2.284 1.00 . A A . 30 LYS O 1 1 16 7442 1 1 32 PRO C C 1.190 -9.686 -1.028 1.00 . A A . 31 PRO C 1 1 16 7443 1 1 32 PRO CA C 2.332 -9.151 -0.170 1.00 . A A . 31 PRO CA 1 1 16 7444 1 1 32 PRO CB C 2.120 -9.532 1.297 1.00 . A A . 31 PRO CB 1 1 16 7445 1 1 32 PRO CD C 1.988 -7.148 1.179 1.00 . A A . 31 PRO CD 1 1 16 7446 1 1 32 PRO CG C 1.446 -8.351 1.902 1.00 . A A . 31 PRO CG 1 1 16 7447 1 1 32 PRO HA H 3.267 -9.563 -0.521 1.00 . A A . 31 PRO HA 1 1 16 7448 1 1 32 PRO HB2 H 1.501 -10.416 1.356 1.00 . A A . 31 PRO HB2 1 1 16 7449 1 1 32 PRO HB3 H 3.076 -9.724 1.764 1.00 . A A . 31 PRO HB3 1 1 16 7450 1 1 32 PRO HD2 H 1.224 -6.391 1.082 1.00 . A A . 31 PRO HD2 1 1 16 7451 1 1 32 PRO HD3 H 2.850 -6.753 1.695 1.00 . A A . 31 PRO HD3 1 1 16 7452 1 1 32 PRO HG2 H 0.379 -8.424 1.760 1.00 . A A . 31 PRO HG2 1 1 16 7453 1 1 32 PRO HG3 H 1.683 -8.291 2.955 1.00 . A A . 31 PRO HG3 1 1 16 7454 1 1 32 PRO N N 2.366 -7.686 -0.139 1.00 . A A . 31 PRO N 1 1 16 7455 1 1 32 PRO O O 1.442 -10.168 -2.132 1.00 . A A . 31 PRO O 1 1 16 7456 2 2 1 ZN ZN ZN 6.486 0.731 4.591 1.00 . B A . 32 ZN ZN 1 1 17 7457 1 1 2 HIS C C -18.226 2.213 7.679 1.00 . A A . 1 HIS C 1 1 17 7458 1 1 2 HIS CA C -19.408 1.672 8.479 1.00 . A A . 1 HIS CA 1 1 17 7459 1 1 2 HIS CB C -19.191 1.928 9.970 1.00 . A A . 1 HIS CB 1 1 17 7460 1 1 2 HIS CD2 C -20.629 4.030 10.465 1.00 . A A . 1 HIS CD2 1 1 17 7461 1 1 2 HIS CE1 C -19.017 5.387 11.069 1.00 . A A . 1 HIS CE1 1 1 17 7462 1 1 2 HIS CG C -19.466 3.342 10.381 1.00 . A A . 1 HIS CG 1 1 17 7463 1 1 2 HIS H H -18.828 -0.359 8.327 1.00 . A A . 1 HIS H 1 1 17 7464 1 1 2 HIS HA H -20.305 2.182 8.161 1.00 . A A . 1 HIS HA 1 1 17 7465 1 1 2 HIS HB2 H -19.846 1.285 10.538 1.00 . A A . 1 HIS HB2 1 1 17 7466 1 1 2 HIS HB3 H -18.165 1.702 10.222 1.00 . A A . 1 HIS HB3 1 1 17 7467 1 1 2 HIS HD1 H -17.517 4.018 10.809 1.00 . A A . 1 HIS HD1 1 1 17 7468 1 1 2 HIS HD2 H -21.616 3.651 10.237 1.00 . A A . 1 HIS HD2 1 1 17 7469 1 1 2 HIS HE1 H -18.483 6.264 11.402 1.00 . A A . 1 HIS HE1 1 1 17 7470 1 1 2 HIS N N -19.593 0.246 8.231 1.00 . A A . 1 HIS N 1 1 17 7471 1 1 2 HIS ND1 N -18.474 4.221 10.765 1.00 . A A . 1 HIS ND1 1 1 17 7472 1 1 2 HIS NE2 N -20.323 5.297 10.895 1.00 . A A . 1 HIS NE2 1 1 17 7473 1 1 2 HIS O O -18.281 3.321 7.145 1.00 . A A . 1 HIS O 1 1 17 7474 1 1 3 MET C C -14.980 0.666 6.757 1.00 . A A . 2 MET C 1 1 17 7475 1 1 3 MET CA C -15.965 1.826 6.869 1.00 . A A . 2 MET CA 1 1 17 7476 1 1 3 MET CB C -15.293 3.015 7.558 1.00 . A A . 2 MET CB 1 1 17 7477 1 1 3 MET CE C -12.523 3.895 9.940 1.00 . A A . 2 MET CE 1 1 17 7478 1 1 3 MET CG C -14.841 2.720 8.979 1.00 . A A . 2 MET CG 1 1 17 7479 1 1 3 MET H H -17.175 0.553 8.051 1.00 . A A . 2 MET H 1 1 17 7480 1 1 3 MET HA H -16.269 2.121 5.877 1.00 . A A . 2 MET HA 1 1 17 7481 1 1 3 MET HB2 H -14.427 3.308 6.982 1.00 . A A . 2 MET HB2 1 1 17 7482 1 1 3 MET HB3 H -15.990 3.840 7.589 1.00 . A A . 2 MET HB3 1 1 17 7483 1 1 3 MET HE1 H -12.021 4.472 9.178 1.00 . A A . 2 MET HE1 1 1 17 7484 1 1 3 MET HE2 H -12.156 4.188 10.913 1.00 . A A . 2 MET HE2 1 1 17 7485 1 1 3 MET HE3 H -12.330 2.844 9.783 1.00 . A A . 2 MET HE3 1 1 17 7486 1 1 3 MET HG2 H -15.667 2.287 9.522 1.00 . A A . 2 MET HG2 1 1 17 7487 1 1 3 MET HG3 H -14.027 2.012 8.942 1.00 . A A . 2 MET HG3 1 1 17 7488 1 1 3 MET N N -17.159 1.425 7.604 1.00 . A A . 2 MET N 1 1 17 7489 1 1 3 MET O O -14.477 0.166 7.764 1.00 . A A . 2 MET O 1 1 17 7490 1 1 3 MET SD S -14.287 4.197 9.852 1.00 . A A . 2 MET SD 1 1 17 7491 1 1 4 VAL C C -12.433 -0.597 5.938 1.00 . A A . 3 VAL C 1 1 17 7492 1 1 4 VAL CA C -13.786 -0.860 5.284 1.00 . A A . 3 VAL CA 1 1 17 7493 1 1 4 VAL CB C -13.578 -1.095 3.776 1.00 . A A . 3 VAL CB 1 1 17 7494 1 1 4 VAL CG1 C -12.896 0.105 3.138 1.00 . A A . 3 VAL CG1 1 1 17 7495 1 1 4 VAL CG2 C -12.772 -2.364 3.542 1.00 . A A . 3 VAL CG2 1 1 17 7496 1 1 4 VAL H H -15.142 0.679 4.765 1.00 . A A . 3 VAL H 1 1 17 7497 1 1 4 VAL HA H -14.213 -1.755 5.712 1.00 . A A . 3 VAL HA 1 1 17 7498 1 1 4 VAL HB H -14.547 -1.219 3.315 1.00 . A A . 3 VAL HB 1 1 17 7499 1 1 4 VAL HG11 H -13.225 1.009 3.629 1.00 . A A . 3 VAL HG11 1 1 17 7500 1 1 4 VAL HG12 H -11.825 0.007 3.238 1.00 . A A . 3 VAL HG12 1 1 17 7501 1 1 4 VAL HG13 H -13.157 0.151 2.090 1.00 . A A . 3 VAL HG13 1 1 17 7502 1 1 4 VAL HG21 H -12.140 -2.552 4.399 1.00 . A A . 3 VAL HG21 1 1 17 7503 1 1 4 VAL HG22 H -13.443 -3.198 3.401 1.00 . A A . 3 VAL HG22 1 1 17 7504 1 1 4 VAL HG23 H -12.158 -2.244 2.661 1.00 . A A . 3 VAL HG23 1 1 17 7505 1 1 4 VAL N N -14.710 0.241 5.528 1.00 . A A . 3 VAL N 1 1 17 7506 1 1 4 VAL O O -11.923 0.523 5.901 1.00 . A A . 3 VAL O 1 1 17 7507 1 1 5 ILE C C -9.569 -2.528 6.639 1.00 . A A . 4 ILE C 1 1 17 7508 1 1 5 ILE CA C -10.565 -1.516 7.195 1.00 . A A . 4 ILE CA 1 1 17 7509 1 1 5 ILE CB C -10.689 -1.717 8.717 1.00 . A A . 4 ILE CB 1 1 17 7510 1 1 5 ILE CD1 C -11.516 -3.368 10.469 1.00 . A A . 4 ILE CD1 1 1 17 7511 1 1 5 ILE CG1 C -11.572 -2.928 9.023 1.00 . A A . 4 ILE CG1 1 1 17 7512 1 1 5 ILE CG2 C -11.251 -0.466 9.373 1.00 . A A . 4 ILE CG2 1 1 17 7513 1 1 5 ILE H H -12.316 -2.501 6.531 1.00 . A A . 4 ILE H 1 1 17 7514 1 1 5 ILE HA H -10.189 -0.520 7.013 1.00 . A A . 4 ILE HA 1 1 17 7515 1 1 5 ILE HB H -9.702 -1.892 9.116 1.00 . A A . 4 ILE HB 1 1 17 7516 1 1 5 ILE HD11 H -12.131 -2.714 11.069 1.00 . A A . 4 ILE HD11 1 1 17 7517 1 1 5 ILE HD12 H -11.880 -4.381 10.552 1.00 . A A . 4 ILE HD12 1 1 17 7518 1 1 5 ILE HD13 H -10.495 -3.322 10.820 1.00 . A A . 4 ILE HD13 1 1 17 7519 1 1 5 ILE HG12 H -12.598 -2.687 8.791 1.00 . A A . 4 ILE HG12 1 1 17 7520 1 1 5 ILE HG13 H -11.256 -3.759 8.410 1.00 . A A . 4 ILE HG13 1 1 17 7521 1 1 5 ILE HG21 H -12.292 -0.356 9.107 1.00 . A A . 4 ILE HG21 1 1 17 7522 1 1 5 ILE HG22 H -11.162 -0.550 10.446 1.00 . A A . 4 ILE HG22 1 1 17 7523 1 1 5 ILE HG23 H -10.699 0.398 9.033 1.00 . A A . 4 ILE HG23 1 1 17 7524 1 1 5 ILE N N -11.859 -1.635 6.535 1.00 . A A . 4 ILE N 1 1 17 7525 1 1 5 ILE O O -8.951 -3.283 7.388 1.00 . A A . 4 ILE O 1 1 17 7526 1 1 6 GLY C C -7.061 -2.961 4.721 1.00 . A A . 5 GLY C 1 1 17 7527 1 1 6 GLY CA C -8.493 -3.457 4.683 1.00 . A A . 5 GLY CA 1 1 17 7528 1 1 6 GLY H H -9.935 -1.911 4.770 1.00 . A A . 5 GLY H 1 1 17 7529 1 1 6 GLY HA2 H -8.545 -4.409 5.190 1.00 . A A . 5 GLY HA2 1 1 17 7530 1 1 6 GLY HA3 H -8.788 -3.593 3.653 1.00 . A A . 5 GLY HA3 1 1 17 7531 1 1 6 GLY N N -9.417 -2.536 5.318 1.00 . A A . 5 GLY N 1 1 17 7532 1 1 6 GLY O O -6.122 -3.734 4.528 1.00 . A A . 5 GLY O 1 1 17 7533 1 1 7 THR C C -4.567 -2.002 5.698 1.00 . A A . 6 THR C 1 1 17 7534 1 1 7 THR CA C -5.565 -1.066 5.025 1.00 . A A . 6 THR CA 1 1 17 7535 1 1 7 THR CB C -5.587 0.274 5.785 1.00 . A A . 6 THR CB 1 1 17 7536 1 1 7 THR CG2 C -6.290 1.347 4.969 1.00 . A A . 6 THR CG2 1 1 17 7537 1 1 7 THR H H -7.679 -1.100 5.112 1.00 . A A . 6 THR H 1 1 17 7538 1 1 7 THR HA H -5.239 -0.877 4.013 1.00 . A A . 6 THR HA 1 1 17 7539 1 1 7 THR HB H -4.567 0.587 5.961 1.00 . A A . 6 THR HB 1 1 17 7540 1 1 7 THR HG1 H -6.400 0.974 7.439 1.00 . A A . 6 THR HG1 1 1 17 7541 1 1 7 THR HG21 H -6.858 1.987 5.629 1.00 . A A . 6 THR HG21 1 1 17 7542 1 1 7 THR HG22 H -6.957 0.881 4.259 1.00 . A A . 6 THR HG22 1 1 17 7543 1 1 7 THR HG23 H -5.556 1.936 4.441 1.00 . A A . 6 THR HG23 1 1 17 7544 1 1 7 THR N N -6.891 -1.666 4.967 1.00 . A A . 6 THR N 1 1 17 7545 1 1 7 THR O O -4.819 -2.512 6.790 1.00 . A A . 6 THR O 1 1 17 7546 1 1 7 THR OG1 O -6.250 0.112 7.044 1.00 . A A . 6 THR OG1 1 1 17 7547 1 1 8 TRP C C -1.277 -2.287 6.215 1.00 . A A . 7 TRP C 1 1 17 7548 1 1 8 TRP CA C -2.398 -3.099 5.576 1.00 . A A . 7 TRP CA 1 1 17 7549 1 1 8 TRP CB C -1.833 -3.990 4.469 1.00 . A A . 7 TRP CB 1 1 17 7550 1 1 8 TRP CD1 C -2.545 -2.825 2.300 1.00 . A A . 7 TRP CD1 1 1 17 7551 1 1 8 TRP CD2 C -0.330 -2.883 2.630 1.00 . A A . 7 TRP CD2 1 1 17 7552 1 1 8 TRP CE2 C -0.587 -2.222 1.413 1.00 . A A . 7 TRP CE2 1 1 17 7553 1 1 8 TRP CE3 C 0.995 -3.038 3.047 1.00 . A A . 7 TRP CE3 1 1 17 7554 1 1 8 TRP CG C -1.596 -3.261 3.182 1.00 . A A . 7 TRP CG 1 1 17 7555 1 1 8 TRP CH2 C 1.722 -1.884 1.043 1.00 . A A . 7 TRP CH2 1 1 17 7556 1 1 8 TRP CZ2 C 0.434 -1.718 0.611 1.00 . A A . 7 TRP CZ2 1 1 17 7557 1 1 8 TRP CZ3 C 2.006 -2.538 2.249 1.00 . A A . 7 TRP CZ3 1 1 17 7558 1 1 8 TRP H H -3.291 -1.788 4.174 1.00 . A A . 7 TRP H 1 1 17 7559 1 1 8 TRP HA H -2.851 -3.723 6.332 1.00 . A A . 7 TRP HA 1 1 17 7560 1 1 8 TRP HB2 H -0.890 -4.404 4.796 1.00 . A A . 7 TRP HB2 1 1 17 7561 1 1 8 TRP HB3 H -2.527 -4.795 4.275 1.00 . A A . 7 TRP HB3 1 1 17 7562 1 1 8 TRP HD1 H -3.607 -2.961 2.434 1.00 . A A . 7 TRP HD1 1 1 17 7563 1 1 8 TRP HE1 H -2.413 -1.802 0.471 1.00 . A A . 7 TRP HE1 1 1 17 7564 1 1 8 TRP HE3 H 1.234 -3.538 3.973 1.00 . A A . 7 TRP HE3 1 1 17 7565 1 1 8 TRP HH2 H 2.543 -1.509 0.452 1.00 . A A . 7 TRP HH2 1 1 17 7566 1 1 8 TRP HZ2 H 0.231 -1.211 -0.322 1.00 . A A . 7 TRP HZ2 1 1 17 7567 1 1 8 TRP HZ3 H 3.037 -2.648 2.555 1.00 . A A . 7 TRP HZ3 1 1 17 7568 1 1 8 TRP N N -3.435 -2.223 5.040 1.00 . A A . 7 TRP N 1 1 17 7569 1 1 8 TRP NE1 N -1.944 -2.200 1.234 1.00 . A A . 7 TRP NE1 1 1 17 7570 1 1 8 TRP O O -0.855 -1.263 5.677 1.00 . A A . 7 TRP O 1 1 17 7571 1 1 9 ASP C C 1.638 -2.593 7.638 1.00 . A A . 8 ASP C 1 1 17 7572 1 1 9 ASP CA C 0.275 -2.067 8.077 1.00 . A A . 8 ASP CA 1 1 17 7573 1 1 9 ASP CB C 0.109 -2.244 9.586 1.00 . A A . 8 ASP CB 1 1 17 7574 1 1 9 ASP CG C -1.344 -2.383 9.997 1.00 . A A . 8 ASP CG 1 1 17 7575 1 1 9 ASP H H -1.176 -3.572 7.744 1.00 . A A . 8 ASP H 1 1 17 7576 1 1 9 ASP HA H 0.215 -1.016 7.839 1.00 . A A . 8 ASP HA 1 1 17 7577 1 1 9 ASP HB2 H 0.638 -3.133 9.899 1.00 . A A . 8 ASP HB2 1 1 17 7578 1 1 9 ASP HB3 H 0.526 -1.386 10.092 1.00 . A A . 8 ASP HB3 1 1 17 7579 1 1 9 ASP N N -0.799 -2.750 7.365 1.00 . A A . 8 ASP N 1 1 17 7580 1 1 9 ASP O O 1.794 -3.779 7.346 1.00 . A A . 8 ASP O 1 1 17 7581 1 1 9 ASP OD1 O -2.216 -1.854 9.277 1.00 . A A . 8 ASP OD1 1 1 17 7582 1 1 9 ASP OD2 O -1.609 -3.020 11.038 1.00 . A A . 8 ASP OD2 1 1 17 7583 1 1 10 CYS C C 4.708 -2.779 8.324 1.00 . A A . 9 CYS C 1 1 17 7584 1 1 10 CYS CA C 3.973 -2.074 7.186 1.00 . A A . 9 CYS CA 1 1 17 7585 1 1 10 CYS CB C 4.757 -0.835 6.748 1.00 . A A . 9 CYS CB 1 1 17 7586 1 1 10 CYS H H 2.437 -0.770 7.835 1.00 . A A . 9 CYS H 1 1 17 7587 1 1 10 CYS HA H 3.894 -2.754 6.351 1.00 . A A . 9 CYS HA 1 1 17 7588 1 1 10 CYS HB2 H 4.130 -0.229 6.112 1.00 . A A . 9 CYS HB2 1 1 17 7589 1 1 10 CYS HB3 H 5.032 -0.265 7.622 1.00 . A A . 9 CYS HB3 1 1 17 7590 1 1 10 CYS N N 2.624 -1.702 7.591 1.00 . A A . 9 CYS N 1 1 17 7591 1 1 10 CYS O O 4.339 -2.646 9.491 1.00 . A A . 9 CYS O 1 1 17 7592 1 1 10 CYS SG S 6.283 -1.208 5.825 1.00 . A A . 9 CYS SG 1 1 17 7593 1 1 11 ASP C C 8.015 -3.888 8.856 1.00 . A A . 10 ASP C 1 1 17 7594 1 1 11 ASP CA C 6.536 -4.249 8.966 1.00 . A A . 10 ASP CA 1 1 17 7595 1 1 11 ASP CB C 6.355 -5.758 8.791 1.00 . A A . 10 ASP CB 1 1 17 7596 1 1 11 ASP CG C 6.560 -6.520 10.085 1.00 . A A . 10 ASP CG 1 1 17 7597 1 1 11 ASP H H 5.994 -3.592 7.028 1.00 . A A . 10 ASP H 1 1 17 7598 1 1 11 ASP HA H 6.182 -3.964 9.945 1.00 . A A . 10 ASP HA 1 1 17 7599 1 1 11 ASP HB2 H 5.353 -5.954 8.435 1.00 . A A . 10 ASP HB2 1 1 17 7600 1 1 11 ASP HB3 H 7.068 -6.118 8.064 1.00 . A A . 10 ASP HB3 1 1 17 7601 1 1 11 ASP N N 5.749 -3.526 7.975 1.00 . A A . 10 ASP N 1 1 17 7602 1 1 11 ASP O O 8.877 -4.574 9.405 1.00 . A A . 10 ASP O 1 1 17 7603 1 1 11 ASP OD1 O 6.032 -6.075 11.127 1.00 . A A . 10 ASP OD1 1 1 17 7604 1 1 11 ASP OD2 O 7.247 -7.562 10.057 1.00 . A A . 10 ASP OD2 1 1 17 7605 1 1 12 THR C C 9.823 -0.880 8.326 1.00 . A A . 11 THR C 1 1 17 7606 1 1 12 THR CA C 9.674 -2.351 7.956 1.00 . A A . 11 THR CA 1 1 17 7607 1 1 12 THR CB C 10.142 -2.552 6.502 1.00 . A A . 11 THR CB 1 1 17 7608 1 1 12 THR CG2 C 11.317 -1.642 6.180 1.00 . A A . 11 THR CG2 1 1 17 7609 1 1 12 THR H H 7.571 -2.297 7.728 1.00 . A A . 11 THR H 1 1 17 7610 1 1 12 THR HA H 10.310 -2.941 8.602 1.00 . A A . 11 THR HA 1 1 17 7611 1 1 12 THR HB H 9.323 -2.307 5.840 1.00 . A A . 11 THR HB 1 1 17 7612 1 1 12 THR HG1 H 9.783 -4.492 6.523 1.00 . A A . 11 THR HG1 1 1 17 7613 1 1 12 THR HG21 H 10.959 -0.637 6.014 1.00 . A A . 11 THR HG21 1 1 17 7614 1 1 12 THR HG22 H 11.816 -1.999 5.291 1.00 . A A . 11 THR HG22 1 1 17 7615 1 1 12 THR HG23 H 12.011 -1.645 7.007 1.00 . A A . 11 THR HG23 1 1 17 7616 1 1 12 THR N N 8.301 -2.804 8.141 1.00 . A A . 11 THR N 1 1 17 7617 1 1 12 THR O O 10.754 -0.498 9.036 1.00 . A A . 11 THR O 1 1 17 7618 1 1 12 THR OG1 O 10.519 -3.918 6.294 1.00 . A A . 11 THR OG1 1 1 17 7619 1 1 13 CYS C C 7.752 1.777 9.007 1.00 . A A . 12 CYS C 1 1 17 7620 1 1 13 CYS CA C 8.927 1.374 8.121 1.00 . A A . 12 CYS CA 1 1 17 7621 1 1 13 CYS CB C 8.892 2.171 6.815 1.00 . A A . 12 CYS CB 1 1 17 7622 1 1 13 CYS H H 8.181 -0.420 7.281 1.00 . A A . 12 CYS H 1 1 17 7623 1 1 13 CYS HA H 9.846 1.593 8.642 1.00 . A A . 12 CYS HA 1 1 17 7624 1 1 13 CYS HB2 H 9.424 3.101 6.956 1.00 . A A . 12 CYS HB2 1 1 17 7625 1 1 13 CYS HB3 H 9.378 1.599 6.040 1.00 . A A . 12 CYS HB3 1 1 17 7626 1 1 13 CYS N N 8.899 -0.056 7.841 1.00 . A A . 12 CYS N 1 1 17 7627 1 1 13 CYS O O 7.617 2.942 9.386 1.00 . A A . 12 CYS O 1 1 17 7628 1 1 13 CYS SG S 7.213 2.576 6.236 1.00 . A A . 12 CYS SG 1 1 17 7629 1 1 14 LEU C C 4.850 2.138 9.565 1.00 . A A . 13 LEU C 1 1 17 7630 1 1 14 LEU CA C 5.740 1.062 10.176 1.00 . A A . 13 LEU CA 1 1 17 7631 1 1 14 LEU CB C 6.183 1.484 11.578 1.00 . A A . 13 LEU CB 1 1 17 7632 1 1 14 LEU CD1 C 7.805 1.367 13.486 1.00 . A A . 13 LEU CD1 1 1 17 7633 1 1 14 LEU CD2 C 7.313 -0.682 12.139 1.00 . A A . 13 LEU CD2 1 1 17 7634 1 1 14 LEU CG C 7.462 0.831 12.103 1.00 . A A . 13 LEU CG 1 1 17 7635 1 1 14 LEU H H 7.064 -0.099 9.001 1.00 . A A . 13 LEU H 1 1 17 7636 1 1 14 LEU HA H 5.176 0.142 10.247 1.00 . A A . 13 LEU HA 1 1 17 7637 1 1 14 LEU HB2 H 6.337 2.553 11.568 1.00 . A A . 13 LEU HB2 1 1 17 7638 1 1 14 LEU HB3 H 5.382 1.245 12.263 1.00 . A A . 13 LEU HB3 1 1 17 7639 1 1 14 LEU HD11 H 8.316 2.313 13.388 1.00 . A A . 13 LEU HD11 1 1 17 7640 1 1 14 LEU HD12 H 8.446 0.663 13.995 1.00 . A A . 13 LEU HD12 1 1 17 7641 1 1 14 LEU HD13 H 6.897 1.504 14.054 1.00 . A A . 13 LEU HD13 1 1 17 7642 1 1 14 LEU HD21 H 6.290 -0.937 12.373 1.00 . A A . 13 LEU HD21 1 1 17 7643 1 1 14 LEU HD22 H 7.968 -1.091 12.894 1.00 . A A . 13 LEU HD22 1 1 17 7644 1 1 14 LEU HD23 H 7.574 -1.092 11.174 1.00 . A A . 13 LEU HD23 1 1 17 7645 1 1 14 LEU HG H 8.281 1.073 11.440 1.00 . A A . 13 LEU HG 1 1 17 7646 1 1 14 LEU N N 6.904 0.808 9.334 1.00 . A A . 13 LEU N 1 1 17 7647 1 1 14 LEU O O 5.074 3.332 9.764 1.00 . A A . 13 LEU O 1 1 17 7648 1 1 15 VAL C C 1.754 1.890 7.523 1.00 . A A . 14 VAL C 1 1 17 7649 1 1 15 VAL CA C 2.908 2.635 8.183 1.00 . A A . 14 VAL CA 1 1 17 7650 1 1 15 VAL CB C 3.618 3.500 7.126 1.00 . A A . 14 VAL CB 1 1 17 7651 1 1 15 VAL CG1 C 2.868 3.451 5.804 1.00 . A A . 14 VAL CG1 1 1 17 7652 1 1 15 VAL CG2 C 3.757 4.933 7.617 1.00 . A A . 14 VAL CG2 1 1 17 7653 1 1 15 VAL H H 3.707 0.744 8.700 1.00 . A A . 14 VAL H 1 1 17 7654 1 1 15 VAL HA H 2.512 3.289 8.946 1.00 . A A . 14 VAL HA 1 1 17 7655 1 1 15 VAL HB H 4.608 3.099 6.967 1.00 . A A . 14 VAL HB 1 1 17 7656 1 1 15 VAL HG11 H 1.852 3.785 5.955 1.00 . A A . 14 VAL HG11 1 1 17 7657 1 1 15 VAL HG12 H 3.357 4.096 5.088 1.00 . A A . 14 VAL HG12 1 1 17 7658 1 1 15 VAL HG13 H 2.861 2.438 5.431 1.00 . A A . 14 VAL HG13 1 1 17 7659 1 1 15 VAL HG21 H 2.879 5.496 7.336 1.00 . A A . 14 VAL HG21 1 1 17 7660 1 1 15 VAL HG22 H 3.859 4.938 8.693 1.00 . A A . 14 VAL HG22 1 1 17 7661 1 1 15 VAL HG23 H 4.632 5.384 7.172 1.00 . A A . 14 VAL HG23 1 1 17 7662 1 1 15 VAL N N 3.836 1.708 8.821 1.00 . A A . 14 VAL N 1 1 17 7663 1 1 15 VAL O O 1.959 0.880 6.851 1.00 . A A . 14 VAL O 1 1 17 7664 1 1 16 GLN C C -0.895 2.290 5.725 1.00 . A A . 15 GLN C 1 1 17 7665 1 1 16 GLN CA C -0.647 1.777 7.141 1.00 . A A . 15 GLN CA 1 1 17 7666 1 1 16 GLN CB C -1.869 2.055 8.018 1.00 . A A . 15 GLN CB 1 1 17 7667 1 1 16 GLN CD C -2.900 1.915 10.320 1.00 . A A . 15 GLN CD 1 1 17 7668 1 1 16 GLN CG C -1.742 1.507 9.429 1.00 . A A . 15 GLN CG 1 1 17 7669 1 1 16 GLN H H 0.441 3.204 8.264 1.00 . A A . 15 GLN H 1 1 17 7670 1 1 16 GLN HA H -0.479 0.712 7.100 1.00 . A A . 15 GLN HA 1 1 17 7671 1 1 16 GLN HB2 H -2.018 3.122 8.081 1.00 . A A . 15 GLN HB2 1 1 17 7672 1 1 16 GLN HB3 H -2.737 1.606 7.557 1.00 . A A . 15 GLN HB3 1 1 17 7673 1 1 16 GLN HE21 H -2.885 0.131 11.198 1.00 . A A . 15 GLN HE21 1 1 17 7674 1 1 16 GLN HE22 H -4.079 1.240 11.772 1.00 . A A . 15 GLN HE22 1 1 17 7675 1 1 16 GLN HG2 H -1.709 0.429 9.382 1.00 . A A . 15 GLN HG2 1 1 17 7676 1 1 16 GLN HG3 H -0.825 1.876 9.864 1.00 . A A . 15 GLN HG3 1 1 17 7677 1 1 16 GLN N N 0.540 2.396 7.718 1.00 . A A . 15 GLN N 1 1 17 7678 1 1 16 GLN NE2 N -3.333 1.003 11.184 1.00 . A A . 15 GLN NE2 1 1 17 7679 1 1 16 GLN O O -0.635 3.454 5.423 1.00 . A A . 15 GLN O 1 1 17 7680 1 1 16 GLN OE1 O -3.399 3.037 10.234 1.00 . A A . 15 GLN OE1 1 1 17 7681 1 1 17 ASN C C -2.957 1.104 2.990 1.00 . A A . 16 ASN C 1 1 17 7682 1 1 17 ASN CA C -1.679 1.777 3.480 1.00 . A A . 16 ASN CA 1 1 17 7683 1 1 17 ASN CB C -0.506 1.385 2.579 1.00 . A A . 16 ASN CB 1 1 17 7684 1 1 17 ASN CG C 0.823 1.430 3.308 1.00 . A A . 16 ASN CG 1 1 17 7685 1 1 17 ASN H H -1.583 0.499 5.164 1.00 . A A . 16 ASN H 1 1 17 7686 1 1 17 ASN HA H -1.811 2.847 3.439 1.00 . A A . 16 ASN HA 1 1 17 7687 1 1 17 ASN HB2 H -0.660 0.380 2.214 1.00 . A A . 16 ASN HB2 1 1 17 7688 1 1 17 ASN HB3 H -0.460 2.065 1.741 1.00 . A A . 16 ASN HB3 1 1 17 7689 1 1 17 ASN HD21 H 0.195 0.046 4.590 1.00 . A A . 16 ASN HD21 1 1 17 7690 1 1 17 ASN HD22 H 1.801 0.630 4.841 1.00 . A A . 16 ASN HD22 1 1 17 7691 1 1 17 ASN N N -1.398 1.412 4.864 1.00 . A A . 16 ASN N 1 1 17 7692 1 1 17 ASN ND2 N 0.953 0.620 4.352 1.00 . A A . 16 ASN ND2 1 1 17 7693 1 1 17 ASN O O -3.301 0.005 3.426 1.00 . A A . 16 ASN O 1 1 17 7694 1 1 17 ASN OD1 O 1.722 2.185 2.936 1.00 . A A . 16 ASN OD1 1 1 17 7695 1 1 18 LYS C C -4.648 -0.076 0.795 1.00 . A A . 17 LYS C 1 1 17 7696 1 1 18 LYS CA C -4.899 1.237 1.527 1.00 . A A . 17 LYS CA 1 1 17 7697 1 1 18 LYS CB C -5.534 2.252 0.573 1.00 . A A . 17 LYS CB 1 1 17 7698 1 1 18 LYS CD C -5.765 3.032 -1.804 1.00 . A A . 17 LYS CD 1 1 17 7699 1 1 18 LYS CE C -5.752 4.521 -1.494 1.00 . A A . 17 LYS CE 1 1 17 7700 1 1 18 LYS CG C -4.917 2.251 -0.815 1.00 . A A . 17 LYS CG 1 1 17 7701 1 1 18 LYS H H -3.334 2.643 1.770 1.00 . A A . 17 LYS H 1 1 17 7702 1 1 18 LYS HA H -5.576 1.055 2.347 1.00 . A A . 17 LYS HA 1 1 17 7703 1 1 18 LYS HB2 H -6.586 2.028 0.477 1.00 . A A . 17 LYS HB2 1 1 17 7704 1 1 18 LYS HB3 H -5.422 3.242 0.993 1.00 . A A . 17 LYS HB3 1 1 17 7705 1 1 18 LYS HD2 H -5.375 2.881 -2.799 1.00 . A A . 17 LYS HD2 1 1 17 7706 1 1 18 LYS HD3 H -6.783 2.672 -1.755 1.00 . A A . 17 LYS HD3 1 1 17 7707 1 1 18 LYS HE2 H -4.746 4.814 -1.236 1.00 . A A . 17 LYS HE2 1 1 17 7708 1 1 18 LYS HE3 H -6.071 5.062 -2.373 1.00 . A A . 17 LYS HE3 1 1 17 7709 1 1 18 LYS HG2 H -3.936 2.701 -0.763 1.00 . A A . 17 LYS HG2 1 1 17 7710 1 1 18 LYS HG3 H -4.827 1.230 -1.159 1.00 . A A . 17 LYS HG3 1 1 17 7711 1 1 18 LYS HZ1 H -7.018 3.990 0.081 1.00 . A A . 17 LYS HZ1 1 1 17 7712 1 1 18 LYS HZ2 H -7.466 5.418 -0.706 1.00 . A A . 17 LYS HZ2 1 1 17 7713 1 1 18 LYS HZ3 H -6.147 5.414 0.353 1.00 . A A . 17 LYS HZ3 1 1 17 7714 1 1 18 LYS N N -3.659 1.770 2.079 1.00 . A A . 17 LYS N 1 1 17 7715 1 1 18 LYS NZ N -6.659 4.860 -0.362 1.00 . A A . 17 LYS NZ 1 1 17 7716 1 1 18 LYS O O -3.608 -0.276 0.166 1.00 . A A . 17 LYS O 1 1 17 7717 1 1 19 PRO C C -5.614 -2.205 -1.296 1.00 . A A . 18 PRO C 1 1 17 7718 1 1 19 PRO CA C -5.531 -2.305 0.223 1.00 . A A . 18 PRO CA 1 1 17 7719 1 1 19 PRO CB C -6.740 -3.062 0.777 1.00 . A A . 18 PRO CB 1 1 17 7720 1 1 19 PRO CD C -6.889 -0.824 1.605 1.00 . A A . 18 PRO CD 1 1 17 7721 1 1 19 PRO CG C -7.713 -1.998 1.153 1.00 . A A . 18 PRO CG 1 1 17 7722 1 1 19 PRO HA H -4.622 -2.822 0.499 1.00 . A A . 18 PRO HA 1 1 17 7723 1 1 19 PRO HB2 H -7.141 -3.713 0.013 1.00 . A A . 18 PRO HB2 1 1 17 7724 1 1 19 PRO HB3 H -6.443 -3.645 1.635 1.00 . A A . 18 PRO HB3 1 1 17 7725 1 1 19 PRO HD2 H -7.371 0.102 1.332 1.00 . A A . 18 PRO HD2 1 1 17 7726 1 1 19 PRO HD3 H -6.727 -0.866 2.672 1.00 . A A . 18 PRO HD3 1 1 17 7727 1 1 19 PRO HG2 H -8.311 -1.728 0.295 1.00 . A A . 18 PRO HG2 1 1 17 7728 1 1 19 PRO HG3 H -8.344 -2.345 1.958 1.00 . A A . 18 PRO HG3 1 1 17 7729 1 1 19 PRO N N -5.622 -0.995 0.874 1.00 . A A . 18 PRO N 1 1 17 7730 1 1 19 PRO O O -5.383 -3.183 -2.005 1.00 . A A . 18 PRO O 1 1 17 7731 1 1 20 GLU C C -4.711 -0.406 -3.824 1.00 . A A . 19 GLU C 1 1 17 7732 1 1 20 GLU CA C -6.061 -0.789 -3.225 1.00 . A A . 19 GLU CA 1 1 17 7733 1 1 20 GLU CB C -7.088 0.308 -3.510 1.00 . A A . 19 GLU CB 1 1 17 7734 1 1 20 GLU CD C -8.931 -1.025 -2.410 1.00 . A A . 19 GLU CD 1 1 17 7735 1 1 20 GLU CG C -8.250 0.324 -2.530 1.00 . A A . 19 GLU CG 1 1 17 7736 1 1 20 GLU H H -6.118 -0.273 -1.173 1.00 . A A . 19 GLU H 1 1 17 7737 1 1 20 GLU HA H -6.395 -1.710 -3.680 1.00 . A A . 19 GLU HA 1 1 17 7738 1 1 20 GLU HB2 H -6.594 1.267 -3.467 1.00 . A A . 19 GLU HB2 1 1 17 7739 1 1 20 GLU HB3 H -7.486 0.163 -4.504 1.00 . A A . 19 GLU HB3 1 1 17 7740 1 1 20 GLU HG2 H -7.880 0.611 -1.558 1.00 . A A . 19 GLU HG2 1 1 17 7741 1 1 20 GLU HG3 H -8.977 1.050 -2.866 1.00 . A A . 19 GLU HG3 1 1 17 7742 1 1 20 GLU N N -5.946 -1.016 -1.789 1.00 . A A . 19 GLU N 1 1 17 7743 1 1 20 GLU O O -4.567 -0.307 -5.043 1.00 . A A . 19 GLU O 1 1 17 7744 1 1 20 GLU OE1 O -8.513 -1.966 -3.118 1.00 . A A . 19 GLU OE1 1 1 17 7745 1 1 20 GLU OE2 O -9.882 -1.140 -1.609 1.00 . A A . 19 GLU OE2 1 1 17 7746 1 1 21 ALA C C -1.571 -1.054 -3.775 1.00 . A A . 20 ALA C 1 1 17 7747 1 1 21 ALA CA C -2.388 0.180 -3.403 1.00 . A A . 20 ALA CA 1 1 17 7748 1 1 21 ALA CB C -1.676 0.980 -2.322 1.00 . A A . 20 ALA CB 1 1 17 7749 1 1 21 ALA H H -3.902 -0.286 -2.001 1.00 . A A . 20 ALA H 1 1 17 7750 1 1 21 ALA HA H -2.487 0.810 -4.275 1.00 . A A . 20 ALA HA 1 1 17 7751 1 1 21 ALA HB1 H -1.367 0.315 -1.528 1.00 . A A . 20 ALA HB1 1 1 17 7752 1 1 21 ALA HB2 H -0.808 1.462 -2.745 1.00 . A A . 20 ALA HB2 1 1 17 7753 1 1 21 ALA HB3 H -2.347 1.727 -1.926 1.00 . A A . 20 ALA HB3 1 1 17 7754 1 1 21 ALA N N -3.725 -0.191 -2.959 1.00 . A A . 20 ALA N 1 1 17 7755 1 1 21 ALA O O -2.001 -2.186 -3.550 1.00 . A A . 20 ALA O 1 1 17 7756 1 1 22 ILE C C 1.727 -1.981 -3.868 1.00 . A A . 21 ILE C 1 1 17 7757 1 1 22 ILE CA C 0.483 -1.920 -4.748 1.00 . A A . 21 ILE CA 1 1 17 7758 1 1 22 ILE CB C 0.916 -1.783 -6.220 1.00 . A A . 21 ILE CB 1 1 17 7759 1 1 22 ILE CD1 C 1.934 -4.116 -6.229 1.00 . A A . 21 ILE CD1 1 1 17 7760 1 1 22 ILE CG1 C 2.152 -2.641 -6.494 1.00 . A A . 21 ILE CG1 1 1 17 7761 1 1 22 ILE CG2 C 1.191 -0.324 -6.557 1.00 . A A . 21 ILE CG2 1 1 17 7762 1 1 22 ILE H H -0.105 0.097 -4.499 1.00 . A A . 21 ILE H 1 1 17 7763 1 1 22 ILE HA H -0.067 -2.845 -4.640 1.00 . A A . 21 ILE HA 1 1 17 7764 1 1 22 ILE HB H 0.104 -2.123 -6.844 1.00 . A A . 21 ILE HB 1 1 17 7765 1 1 22 ILE HD11 H 1.310 -4.237 -5.356 1.00 . A A . 21 ILE HD11 1 1 17 7766 1 1 22 ILE HD12 H 1.452 -4.567 -7.083 1.00 . A A . 21 ILE HD12 1 1 17 7767 1 1 22 ILE HD13 H 2.888 -4.594 -6.059 1.00 . A A . 21 ILE HD13 1 1 17 7768 1 1 22 ILE HG12 H 2.438 -2.530 -7.528 1.00 . A A . 21 ILE HG12 1 1 17 7769 1 1 22 ILE HG13 H 2.961 -2.306 -5.861 1.00 . A A . 21 ILE HG13 1 1 17 7770 1 1 22 ILE HG21 H 1.993 -0.268 -7.278 1.00 . A A . 21 ILE HG21 1 1 17 7771 1 1 22 ILE HG22 H 0.301 0.123 -6.973 1.00 . A A . 21 ILE HG22 1 1 17 7772 1 1 22 ILE HG23 H 1.476 0.204 -5.660 1.00 . A A . 21 ILE HG23 1 1 17 7773 1 1 22 ILE N N -0.393 -0.827 -4.346 1.00 . A A . 21 ILE N 1 1 17 7774 1 1 22 ILE O O 2.429 -2.992 -3.836 1.00 . A A . 21 ILE O 1 1 17 7775 1 1 23 LYS C C 2.944 0.233 -1.187 1.00 . A A . 22 LYS C 1 1 17 7776 1 1 23 LYS CA C 3.151 -0.821 -2.271 1.00 . A A . 22 LYS CA 1 1 17 7777 1 1 23 LYS CB C 4.413 -0.501 -3.074 1.00 . A A . 22 LYS CB 1 1 17 7778 1 1 23 LYS CD C 4.398 1.959 -3.577 1.00 . A A . 22 LYS CD 1 1 17 7779 1 1 23 LYS CE C 4.369 3.010 -4.677 1.00 . A A . 22 LYS CE 1 1 17 7780 1 1 23 LYS CG C 4.203 0.560 -4.139 1.00 . A A . 22 LYS CG 1 1 17 7781 1 1 23 LYS H H 1.395 -0.119 -3.223 1.00 . A A . 22 LYS H 1 1 17 7782 1 1 23 LYS HA H 3.269 -1.786 -1.799 1.00 . A A . 22 LYS HA 1 1 17 7783 1 1 23 LYS HB2 H 5.179 -0.156 -2.396 1.00 . A A . 22 LYS HB2 1 1 17 7784 1 1 23 LYS HB3 H 4.755 -1.404 -3.559 1.00 . A A . 22 LYS HB3 1 1 17 7785 1 1 23 LYS HD2 H 3.605 2.169 -2.874 1.00 . A A . 22 LYS HD2 1 1 17 7786 1 1 23 LYS HD3 H 5.352 2.005 -3.072 1.00 . A A . 22 LYS HD3 1 1 17 7787 1 1 23 LYS HE2 H 3.528 2.812 -5.325 1.00 . A A . 22 LYS HE2 1 1 17 7788 1 1 23 LYS HE3 H 4.252 3.983 -4.223 1.00 . A A . 22 LYS HE3 1 1 17 7789 1 1 23 LYS HG2 H 4.913 0.403 -4.937 1.00 . A A . 22 LYS HG2 1 1 17 7790 1 1 23 LYS HG3 H 3.198 0.475 -4.527 1.00 . A A . 22 LYS HG3 1 1 17 7791 1 1 23 LYS HZ1 H 5.619 3.799 -6.152 1.00 . A A . 22 LYS HZ1 1 1 17 7792 1 1 23 LYS HZ2 H 5.687 2.114 -6.027 1.00 . A A . 22 LYS HZ2 1 1 17 7793 1 1 23 LYS HZ3 H 6.448 3.080 -4.865 1.00 . A A . 22 LYS HZ3 1 1 17 7794 1 1 23 LYS N N 1.993 -0.893 -3.154 1.00 . A A . 22 LYS N 1 1 17 7795 1 1 23 LYS NZ N 5.618 3.000 -5.487 1.00 . A A . 22 LYS NZ 1 1 17 7796 1 1 23 LYS O O 1.999 1.020 -1.245 1.00 . A A . 22 LYS O 1 1 17 7797 1 1 24 CYS C C 3.770 2.633 0.369 1.00 . A A . 23 CYS C 1 1 17 7798 1 1 24 CYS CA C 3.751 1.201 0.895 1.00 . A A . 23 CYS CA 1 1 17 7799 1 1 24 CYS CB C 4.908 0.990 1.873 1.00 . A A . 23 CYS CB 1 1 17 7800 1 1 24 CYS H H 4.566 -0.410 -0.209 1.00 . A A . 23 CYS H 1 1 17 7801 1 1 24 CYS HA H 2.818 1.033 1.412 1.00 . A A . 23 CYS HA 1 1 17 7802 1 1 24 CYS HB2 H 5.166 -0.059 1.892 1.00 . A A . 23 CYS HB2 1 1 17 7803 1 1 24 CYS HB3 H 5.761 1.561 1.539 1.00 . A A . 23 CYS HB3 1 1 17 7804 1 1 24 CYS N N 3.834 0.243 -0.201 1.00 . A A . 23 CYS N 1 1 17 7805 1 1 24 CYS O O 4.175 2.883 -0.766 1.00 . A A . 23 CYS O 1 1 17 7806 1 1 24 CYS SG S 4.537 1.498 3.584 1.00 . A A . 23 CYS SG 1 1 17 7807 1 1 25 VAL C C 4.326 5.783 1.609 1.00 . A A . 24 VAL C 1 1 17 7808 1 1 25 VAL CA C 3.298 4.977 0.822 1.00 . A A . 24 VAL CA 1 1 17 7809 1 1 25 VAL CB C 1.901 5.588 1.048 1.00 . A A . 24 VAL CB 1 1 17 7810 1 1 25 VAL CG1 C 1.544 5.570 2.526 1.00 . A A . 24 VAL CG1 1 1 17 7811 1 1 25 VAL CG2 C 1.844 7.004 0.494 1.00 . A A . 24 VAL CG2 1 1 17 7812 1 1 25 VAL H H 3.020 3.309 2.095 1.00 . A A . 24 VAL H 1 1 17 7813 1 1 25 VAL HA H 3.530 5.044 -0.231 1.00 . A A . 24 VAL HA 1 1 17 7814 1 1 25 VAL HB H 1.178 4.986 0.518 1.00 . A A . 24 VAL HB 1 1 17 7815 1 1 25 VAL HG11 H 0.483 5.401 2.637 1.00 . A A . 24 VAL HG11 1 1 17 7816 1 1 25 VAL HG12 H 2.089 4.779 3.020 1.00 . A A . 24 VAL HG12 1 1 17 7817 1 1 25 VAL HG13 H 1.805 6.519 2.971 1.00 . A A . 24 VAL HG13 1 1 17 7818 1 1 25 VAL HG21 H 1.949 7.711 1.303 1.00 . A A . 24 VAL HG21 1 1 17 7819 1 1 25 VAL HG22 H 2.646 7.146 -0.214 1.00 . A A . 24 VAL HG22 1 1 17 7820 1 1 25 VAL HG23 H 0.897 7.159 0.001 1.00 . A A . 24 VAL HG23 1 1 17 7821 1 1 25 VAL N N 3.330 3.570 1.202 1.00 . A A . 24 VAL N 1 1 17 7822 1 1 25 VAL O O 4.230 7.006 1.703 1.00 . A A . 24 VAL O 1 1 17 7823 1 1 26 ALA C C 7.730 5.173 2.599 1.00 . A A . 25 ALA C 1 1 17 7824 1 1 26 ALA CA C 6.357 5.738 2.948 1.00 . A A . 25 ALA CA 1 1 17 7825 1 1 26 ALA CB C 6.083 5.584 4.437 1.00 . A A . 25 ALA CB 1 1 17 7826 1 1 26 ALA H H 5.330 4.114 2.061 1.00 . A A . 25 ALA H 1 1 17 7827 1 1 26 ALA HA H 6.342 6.793 2.712 1.00 . A A . 25 ALA HA 1 1 17 7828 1 1 26 ALA HB1 H 6.635 6.336 4.983 1.00 . A A . 25 ALA HB1 1 1 17 7829 1 1 26 ALA HB2 H 5.028 5.705 4.623 1.00 . A A . 25 ALA HB2 1 1 17 7830 1 1 26 ALA HB3 H 6.397 4.602 4.760 1.00 . A A . 25 ALA HB3 1 1 17 7831 1 1 26 ALA N N 5.309 5.088 2.172 1.00 . A A . 25 ALA N 1 1 17 7832 1 1 26 ALA O O 8.701 5.917 2.458 1.00 . A A . 25 ALA O 1 1 17 7833 1 1 27 CYS C C 8.997 2.581 0.730 1.00 . A A . 26 CYS C 1 1 17 7834 1 1 27 CYS CA C 9.058 3.188 2.129 1.00 . A A . 26 CYS CA 1 1 17 7835 1 1 27 CYS CB C 9.368 2.099 3.158 1.00 . A A . 26 CYS CB 1 1 17 7836 1 1 27 CYS H H 6.994 3.313 2.585 1.00 . A A . 26 CYS H 1 1 17 7837 1 1 27 CYS HA H 9.843 3.928 2.154 1.00 . A A . 26 CYS HA 1 1 17 7838 1 1 27 CYS HB2 H 10.394 1.783 3.037 1.00 . A A . 26 CYS HB2 1 1 17 7839 1 1 27 CYS HB3 H 9.236 2.503 4.150 1.00 . A A . 26 CYS HB3 1 1 17 7840 1 1 27 CYS N N 7.804 3.854 2.461 1.00 . A A . 26 CYS N 1 1 17 7841 1 1 27 CYS O O 10.026 2.232 0.151 1.00 . A A . 26 CYS O 1 1 17 7842 1 1 27 CYS SG S 8.315 0.619 3.015 1.00 . A A . 26 CYS SG 1 1 17 7843 1 1 28 GLU C C 7.801 0.381 -1.118 1.00 . A A . 27 GLU C 1 1 17 7844 1 1 28 GLU CA C 7.594 1.892 -1.134 1.00 . A A . 27 GLU CA 1 1 17 7845 1 1 28 GLU CB C 8.555 2.540 -2.133 1.00 . A A . 27 GLU CB 1 1 17 7846 1 1 28 GLU CD C 10.072 4.546 -2.371 1.00 . A A . 27 GLU CD 1 1 17 7847 1 1 28 GLU CG C 8.707 4.040 -1.947 1.00 . A A . 27 GLU CG 1 1 17 7848 1 1 28 GLU H H 7.005 2.755 0.708 1.00 . A A . 27 GLU H 1 1 17 7849 1 1 28 GLU HA H 6.580 2.101 -1.439 1.00 . A A . 27 GLU HA 1 1 17 7850 1 1 28 GLU HB2 H 9.529 2.084 -2.023 1.00 . A A . 27 GLU HB2 1 1 17 7851 1 1 28 GLU HB3 H 8.193 2.357 -3.134 1.00 . A A . 27 GLU HB3 1 1 17 7852 1 1 28 GLU HG2 H 7.955 4.541 -2.539 1.00 . A A . 27 GLU HG2 1 1 17 7853 1 1 28 GLU HG3 H 8.559 4.278 -0.904 1.00 . A A . 27 GLU HG3 1 1 17 7854 1 1 28 GLU N N 7.787 2.458 0.196 1.00 . A A . 27 GLU N 1 1 17 7855 1 1 28 GLU O O 8.401 -0.186 -2.032 1.00 . A A . 27 GLU O 1 1 17 7856 1 1 28 GLU OE1 O 11.018 4.452 -1.561 1.00 . A A . 27 GLU OE1 1 1 17 7857 1 1 28 GLU OE2 O 10.195 5.035 -3.514 1.00 . A A . 27 GLU OE2 1 1 17 7858 1 1 29 THR C C 6.467 -2.444 -0.861 1.00 . A A . 28 THR C 1 1 17 7859 1 1 29 THR CA C 7.432 -1.714 0.067 1.00 . A A . 28 THR CA 1 1 17 7860 1 1 29 THR CB C 7.173 -2.165 1.516 1.00 . A A . 28 THR CB 1 1 17 7861 1 1 29 THR CG2 C 6.096 -3.239 1.564 1.00 . A A . 28 THR CG2 1 1 17 7862 1 1 29 THR H H 6.833 0.239 0.625 1.00 . A A . 28 THR H 1 1 17 7863 1 1 29 THR HA H 8.444 -1.982 -0.197 1.00 . A A . 28 THR HA 1 1 17 7864 1 1 29 THR HB H 6.835 -1.312 2.088 1.00 . A A . 28 THR HB 1 1 17 7865 1 1 29 THR HG1 H 8.709 -2.042 2.747 1.00 . A A . 28 THR HG1 1 1 17 7866 1 1 29 THR HG21 H 6.418 -4.097 0.991 1.00 . A A . 28 THR HG21 1 1 17 7867 1 1 29 THR HG22 H 5.180 -2.850 1.145 1.00 . A A . 28 THR HG22 1 1 17 7868 1 1 29 THR HG23 H 5.927 -3.534 2.589 1.00 . A A . 28 THR HG23 1 1 17 7869 1 1 29 THR N N 7.301 -0.268 -0.071 1.00 . A A . 28 THR N 1 1 17 7870 1 1 29 THR O O 5.358 -1.984 -1.129 1.00 . A A . 28 THR O 1 1 17 7871 1 1 29 THR OG1 O 8.382 -2.668 2.096 1.00 . A A . 28 THR OG1 1 1 17 7872 1 1 30 PRO C C 4.893 -5.062 -1.564 1.00 . A A . 29 PRO C 1 1 17 7873 1 1 30 PRO CA C 6.088 -4.429 -2.269 1.00 . A A . 29 PRO CA 1 1 17 7874 1 1 30 PRO CB C 7.066 -5.509 -2.741 1.00 . A A . 29 PRO CB 1 1 17 7875 1 1 30 PRO CD C 8.211 -4.218 -1.087 1.00 . A A . 29 PRO CD 1 1 17 7876 1 1 30 PRO CG C 8.078 -5.606 -1.652 1.00 . A A . 29 PRO CG 1 1 17 7877 1 1 30 PRO HA H 5.742 -3.859 -3.119 1.00 . A A . 29 PRO HA 1 1 17 7878 1 1 30 PRO HB2 H 6.537 -6.443 -2.874 1.00 . A A . 29 PRO HB2 1 1 17 7879 1 1 30 PRO HB3 H 7.516 -5.209 -3.675 1.00 . A A . 29 PRO HB3 1 1 17 7880 1 1 30 PRO HD2 H 8.400 -4.261 -0.025 1.00 . A A . 29 PRO HD2 1 1 17 7881 1 1 30 PRO HD3 H 8.999 -3.680 -1.592 1.00 . A A . 29 PRO HD3 1 1 17 7882 1 1 30 PRO HG2 H 7.735 -6.290 -0.892 1.00 . A A . 29 PRO HG2 1 1 17 7883 1 1 30 PRO HG3 H 9.022 -5.937 -2.058 1.00 . A A . 29 PRO HG3 1 1 17 7884 1 1 30 PRO N N 6.899 -3.609 -1.364 1.00 . A A . 29 PRO N 1 1 17 7885 1 1 30 PRO O O 5.056 -5.898 -0.675 1.00 . A A . 29 PRO O 1 1 17 7886 1 1 31 LYS C C 2.471 -6.715 -1.396 1.00 . A A . 30 LYS C 1 1 17 7887 1 1 31 LYS CA C 2.469 -5.190 -1.376 1.00 . A A . 30 LYS CA 1 1 17 7888 1 1 31 LYS CB C 1.246 -4.660 -2.128 1.00 . A A . 30 LYS CB 1 1 17 7889 1 1 31 LYS CD C -1.090 -5.268 -2.823 1.00 . A A . 30 LYS CD 1 1 17 7890 1 1 31 LYS CE C -2.495 -5.082 -2.269 1.00 . A A . 30 LYS CE 1 1 17 7891 1 1 31 LYS CG C -0.056 -5.321 -1.711 1.00 . A A . 30 LYS CG 1 1 17 7892 1 1 31 LYS H H 3.629 -3.991 -2.681 1.00 . A A . 30 LYS H 1 1 17 7893 1 1 31 LYS HA H 2.425 -4.854 -0.352 1.00 . A A . 30 LYS HA 1 1 17 7894 1 1 31 LYS HB2 H 1.160 -3.598 -1.948 1.00 . A A . 30 LYS HB2 1 1 17 7895 1 1 31 LYS HB3 H 1.387 -4.827 -3.186 1.00 . A A . 30 LYS HB3 1 1 17 7896 1 1 31 LYS HD2 H -0.860 -4.440 -3.476 1.00 . A A . 30 LYS HD2 1 1 17 7897 1 1 31 LYS HD3 H -1.052 -6.192 -3.382 1.00 . A A . 30 LYS HD3 1 1 17 7898 1 1 31 LYS HE2 H -2.898 -6.050 -2.014 1.00 . A A . 30 LYS HE2 1 1 17 7899 1 1 31 LYS HE3 H -2.440 -4.469 -1.382 1.00 . A A . 30 LYS HE3 1 1 17 7900 1 1 31 LYS HG2 H 0.138 -6.355 -1.463 1.00 . A A . 30 LYS HG2 1 1 17 7901 1 1 31 LYS HG3 H -0.448 -4.809 -0.843 1.00 . A A . 30 LYS HG3 1 1 17 7902 1 1 31 LYS HZ1 H -3.566 -3.437 -2.984 1.00 . A A . 30 LYS HZ1 1 1 17 7903 1 1 31 LYS HZ2 H -4.310 -4.924 -3.292 1.00 . A A . 30 LYS HZ2 1 1 17 7904 1 1 31 LYS HZ3 H -2.967 -4.446 -4.202 1.00 . A A . 30 LYS HZ3 1 1 17 7905 1 1 31 LYS N N 3.693 -4.660 -1.968 1.00 . A A . 30 LYS N 1 1 17 7906 1 1 31 LYS NZ N -3.397 -4.426 -3.256 1.00 . A A . 30 LYS NZ 1 1 17 7907 1 1 31 LYS O O 2.945 -7.347 -2.341 1.00 . A A . 30 LYS O 1 1 17 7908 1 1 32 PRO C C 0.861 -9.397 -1.185 1.00 . A A . 31 PRO C 1 1 17 7909 1 1 32 PRO CA C 1.852 -8.779 -0.204 1.00 . A A . 31 PRO CA 1 1 17 7910 1 1 32 PRO CB C 1.378 -8.987 1.237 1.00 . A A . 31 PRO CB 1 1 17 7911 1 1 32 PRO CD C 1.344 -6.631 0.832 1.00 . A A . 31 PRO CD 1 1 17 7912 1 1 32 PRO CG C 0.647 -7.735 1.578 1.00 . A A . 31 PRO CG 1 1 17 7913 1 1 32 PRO HA H 2.821 -9.240 -0.335 1.00 . A A . 31 PRO HA 1 1 17 7914 1 1 32 PRO HB2 H 0.729 -9.850 1.285 1.00 . A A . 31 PRO HB2 1 1 17 7915 1 1 32 PRO HB3 H 2.231 -9.134 1.882 1.00 . A A . 31 PRO HB3 1 1 17 7916 1 1 32 PRO HD2 H 0.634 -5.880 0.517 1.00 . A A . 31 PRO HD2 1 1 17 7917 1 1 32 PRO HD3 H 2.116 -6.189 1.444 1.00 . A A . 31 PRO HD3 1 1 17 7918 1 1 32 PRO HG2 H -0.382 -7.811 1.261 1.00 . A A . 31 PRO HG2 1 1 17 7919 1 1 32 PRO HG3 H 0.700 -7.558 2.642 1.00 . A A . 31 PRO HG3 1 1 17 7920 1 1 32 PRO N N 1.927 -7.322 -0.331 1.00 . A A . 31 PRO N 1 1 17 7921 1 1 32 PRO O O 0.019 -10.192 -0.769 1.00 . A A . 31 PRO O 1 1 17 7922 2 2 1 ZN ZN ZN 6.584 0.869 4.664 1.00 . B A . 32 ZN ZN 1 1 18 7923 1 1 2 HIS C C -14.750 3.725 6.427 1.00 . A A . 1 HIS C 1 1 18 7924 1 1 2 HIS CA C -14.154 4.969 5.773 1.00 . A A . 1 HIS CA 1 1 18 7925 1 1 2 HIS CB C -13.671 4.635 4.362 1.00 . A A . 1 HIS CB 1 1 18 7926 1 1 2 HIS CD2 C -14.172 6.832 3.077 1.00 . A A . 1 HIS CD2 1 1 18 7927 1 1 2 HIS CE1 C -12.141 7.263 2.372 1.00 . A A . 1 HIS CE1 1 1 18 7928 1 1 2 HIS CG C -13.366 5.844 3.532 1.00 . A A . 1 HIS CG 1 1 18 7929 1 1 2 HIS H H -12.194 5.032 6.573 1.00 . A A . 1 HIS H 1 1 18 7930 1 1 2 HIS HA H -14.917 5.729 5.713 1.00 . A A . 1 HIS HA 1 1 18 7931 1 1 2 HIS HB2 H -12.770 4.043 4.427 1.00 . A A . 1 HIS HB2 1 1 18 7932 1 1 2 HIS HB3 H -14.434 4.065 3.852 1.00 . A A . 1 HIS HB3 1 1 18 7933 1 1 2 HIS HD1 H -11.293 5.613 3.237 1.00 . A A . 1 HIS HD1 1 1 18 7934 1 1 2 HIS HD2 H -15.236 6.921 3.247 1.00 . A A . 1 HIS HD2 1 1 18 7935 1 1 2 HIS HE1 H -11.299 7.738 1.892 1.00 . A A . 1 HIS HE1 1 1 18 7936 1 1 2 HIS N N -13.055 5.500 6.572 1.00 . A A . 1 HIS N 1 1 18 7937 1 1 2 HIS ND1 N -12.101 6.142 3.073 1.00 . A A . 1 HIS ND1 1 1 18 7938 1 1 2 HIS NE2 N -13.387 7.700 2.359 1.00 . A A . 1 HIS NE2 1 1 18 7939 1 1 2 HIS O O -14.325 3.317 7.507 1.00 . A A . 1 HIS O 1 1 18 7940 1 1 3 MET C C -15.525 0.697 6.047 1.00 . A A . 2 MET C 1 1 18 7941 1 1 3 MET CA C -16.388 1.933 6.282 1.00 . A A . 2 MET CA 1 1 18 7942 1 1 3 MET CB C -17.756 1.746 5.621 1.00 . A A . 2 MET CB 1 1 18 7943 1 1 3 MET CE C -18.011 -1.183 8.256 1.00 . A A . 2 MET CE 1 1 18 7944 1 1 3 MET CG C -18.546 0.574 6.181 1.00 . A A . 2 MET CG 1 1 18 7945 1 1 3 MET H H -16.030 3.502 4.908 1.00 . A A . 2 MET H 1 1 18 7946 1 1 3 MET HA H -16.527 2.064 7.344 1.00 . A A . 2 MET HA 1 1 18 7947 1 1 3 MET HB2 H -18.336 2.645 5.764 1.00 . A A . 2 MET HB2 1 1 18 7948 1 1 3 MET HB3 H -17.613 1.583 4.563 1.00 . A A . 2 MET HB3 1 1 18 7949 1 1 3 MET HE1 H -16.961 -1.210 8.504 1.00 . A A . 2 MET HE1 1 1 18 7950 1 1 3 MET HE2 H -18.585 -1.603 9.069 1.00 . A A . 2 MET HE2 1 1 18 7951 1 1 3 MET HE3 H -18.183 -1.758 7.357 1.00 . A A . 2 MET HE3 1 1 18 7952 1 1 3 MET HG2 H -19.572 0.661 5.855 1.00 . A A . 2 MET HG2 1 1 18 7953 1 1 3 MET HG3 H -18.124 -0.343 5.796 1.00 . A A . 2 MET HG3 1 1 18 7954 1 1 3 MET N N -15.735 3.129 5.765 1.00 . A A . 2 MET N 1 1 18 7955 1 1 3 MET O O -15.945 -0.427 6.319 1.00 . A A . 2 MET O 1 1 18 7956 1 1 3 MET SD S -18.517 0.514 7.982 1.00 . A A . 2 MET SD 1 1 18 7957 1 1 4 VAL C C -12.044 0.058 5.938 1.00 . A A . 3 VAL C 1 1 18 7958 1 1 4 VAL CA C -13.393 -0.182 5.270 1.00 . A A . 3 VAL CA 1 1 18 7959 1 1 4 VAL CB C -13.176 -0.373 3.756 1.00 . A A . 3 VAL CB 1 1 18 7960 1 1 4 VAL CG1 C -12.385 0.791 3.179 1.00 . A A . 3 VAL CG1 1 1 18 7961 1 1 4 VAL CG2 C -12.474 -1.695 3.482 1.00 . A A . 3 VAL CG2 1 1 18 7962 1 1 4 VAL H H -14.037 1.832 5.343 1.00 . A A . 3 VAL H 1 1 18 7963 1 1 4 VAL HA H -13.825 -1.089 5.667 1.00 . A A . 3 VAL HA 1 1 18 7964 1 1 4 VAL HB H -14.143 -0.397 3.275 1.00 . A A . 3 VAL HB 1 1 18 7965 1 1 4 VAL HG11 H -12.571 0.860 2.117 1.00 . A A . 3 VAL HG11 1 1 18 7966 1 1 4 VAL HG12 H -12.690 1.708 3.660 1.00 . A A . 3 VAL HG12 1 1 18 7967 1 1 4 VAL HG13 H -11.330 0.628 3.349 1.00 . A A . 3 VAL HG13 1 1 18 7968 1 1 4 VAL HG21 H -11.409 -1.528 3.418 1.00 . A A . 3 VAL HG21 1 1 18 7969 1 1 4 VAL HG22 H -12.682 -2.387 4.284 1.00 . A A . 3 VAL HG22 1 1 18 7970 1 1 4 VAL HG23 H -12.832 -2.105 2.550 1.00 . A A . 3 VAL HG23 1 1 18 7971 1 1 4 VAL N N -14.315 0.914 5.539 1.00 . A A . 3 VAL N 1 1 18 7972 1 1 4 VAL O O -11.458 1.134 5.810 1.00 . A A . 3 VAL O 1 1 18 7973 1 1 5 ILE C C -9.322 -1.955 6.893 1.00 . A A . 4 ILE C 1 1 18 7974 1 1 5 ILE CA C -10.274 -0.850 7.339 1.00 . A A . 4 ILE CA 1 1 18 7975 1 1 5 ILE CB C -10.448 -0.925 8.867 1.00 . A A . 4 ILE CB 1 1 18 7976 1 1 5 ILE CD1 C -11.284 -2.441 10.734 1.00 . A A . 4 ILE CD1 1 1 18 7977 1 1 5 ILE CG1 C -11.280 -2.151 9.248 1.00 . A A . 4 ILE CG1 1 1 18 7978 1 1 5 ILE CG2 C -11.101 0.347 9.388 1.00 . A A . 4 ILE CG2 1 1 18 7979 1 1 5 ILE H H -12.068 -1.783 6.716 1.00 . A A . 4 ILE H 1 1 18 7980 1 1 5 ILE HA H -9.838 0.107 7.093 1.00 . A A . 4 ILE HA 1 1 18 7981 1 1 5 ILE HB H -9.470 -1.009 9.315 1.00 . A A . 4 ILE HB 1 1 18 7982 1 1 5 ILE HD11 H -11.585 -3.464 10.901 1.00 . A A . 4 ILE HD11 1 1 18 7983 1 1 5 ILE HD12 H -10.292 -2.287 11.134 1.00 . A A . 4 ILE HD12 1 1 18 7984 1 1 5 ILE HD13 H -11.978 -1.777 11.228 1.00 . A A . 4 ILE HD13 1 1 18 7985 1 1 5 ILE HG12 H -12.301 -1.997 8.939 1.00 . A A . 4 ILE HG12 1 1 18 7986 1 1 5 ILE HG13 H -10.881 -3.019 8.742 1.00 . A A . 4 ILE HG13 1 1 18 7987 1 1 5 ILE HG21 H -12.167 0.297 9.227 1.00 . A A . 4 ILE HG21 1 1 18 7988 1 1 5 ILE HG22 H -10.902 0.445 10.445 1.00 . A A . 4 ILE HG22 1 1 18 7989 1 1 5 ILE HG23 H -10.697 1.200 8.864 1.00 . A A . 4 ILE HG23 1 1 18 7990 1 1 5 ILE N N -11.555 -0.951 6.651 1.00 . A A . 4 ILE N 1 1 18 7991 1 1 5 ILE O O -8.532 -2.466 7.685 1.00 . A A . 4 ILE O 1 1 18 7992 1 1 6 GLY C C -7.094 -2.919 4.986 1.00 . A A . 5 GLY C 1 1 18 7993 1 1 6 GLY CA C -8.541 -3.359 5.085 1.00 . A A . 5 GLY CA 1 1 18 7994 1 1 6 GLY H H -10.051 -1.876 5.030 1.00 . A A . 5 GLY H 1 1 18 7995 1 1 6 GLY HA2 H -8.600 -4.223 5.730 1.00 . A A . 5 GLY HA2 1 1 18 7996 1 1 6 GLY HA3 H -8.890 -3.632 4.101 1.00 . A A . 5 GLY HA3 1 1 18 7997 1 1 6 GLY N N -9.402 -2.318 5.616 1.00 . A A . 5 GLY N 1 1 18 7998 1 1 6 GLY O O -6.201 -3.739 4.765 1.00 . A A . 5 GLY O 1 1 18 7999 1 1 7 THR C C -4.503 -1.997 5.742 1.00 . A A . 6 THR C 1 1 18 8000 1 1 7 THR CA C -5.510 -1.073 5.071 1.00 . A A . 6 THR CA 1 1 18 8001 1 1 7 THR CB C -5.432 0.318 5.728 1.00 . A A . 6 THR CB 1 1 18 8002 1 1 7 THR CG2 C -6.229 1.339 4.931 1.00 . A A . 6 THR CG2 1 1 18 8003 1 1 7 THR H H -7.612 -1.018 5.320 1.00 . A A . 6 THR H 1 1 18 8004 1 1 7 THR HA H -5.251 -0.970 4.027 1.00 . A A . 6 THR HA 1 1 18 8005 1 1 7 THR HB H -4.397 0.630 5.752 1.00 . A A . 6 THR HB 1 1 18 8006 1 1 7 THR HG1 H -6.360 -0.592 7.211 1.00 . A A . 6 THR HG1 1 1 18 8007 1 1 7 THR HG21 H -6.823 0.831 4.186 1.00 . A A . 6 THR HG21 1 1 18 8008 1 1 7 THR HG22 H -5.552 2.025 4.445 1.00 . A A . 6 THR HG22 1 1 18 8009 1 1 7 THR HG23 H -6.880 1.887 5.597 1.00 . A A . 6 THR HG23 1 1 18 8010 1 1 7 THR N N -6.859 -1.621 5.147 1.00 . A A . 6 THR N 1 1 18 8011 1 1 7 THR O O -4.742 -2.497 6.842 1.00 . A A . 6 THR O 1 1 18 8012 1 1 7 THR OG1 O -5.932 0.255 7.068 1.00 . A A . 6 THR OG1 1 1 18 8013 1 1 8 TRP C C -1.230 -2.265 6.274 1.00 . A A . 7 TRP C 1 1 18 8014 1 1 8 TRP CA C -2.330 -3.087 5.610 1.00 . A A . 7 TRP CA 1 1 18 8015 1 1 8 TRP CB C -1.738 -3.952 4.497 1.00 . A A . 7 TRP CB 1 1 18 8016 1 1 8 TRP CD1 C -2.479 -2.808 2.327 1.00 . A A . 7 TRP CD1 1 1 18 8017 1 1 8 TRP CD2 C -0.267 -2.768 2.680 1.00 . A A . 7 TRP CD2 1 1 18 8018 1 1 8 TRP CE2 C -0.540 -2.112 1.464 1.00 . A A . 7 TRP CE2 1 1 18 8019 1 1 8 TRP CE3 C 1.059 -2.865 3.110 1.00 . A A . 7 TRP CE3 1 1 18 8020 1 1 8 TRP CG C -1.522 -3.205 3.216 1.00 . A A . 7 TRP CG 1 1 18 8021 1 1 8 TRP CH2 C 1.753 -1.668 1.120 1.00 . A A . 7 TRP CH2 1 1 18 8022 1 1 8 TRP CZ2 C 0.465 -1.558 0.675 1.00 . A A . 7 TRP CZ2 1 1 18 8023 1 1 8 TRP CZ3 C 2.055 -2.316 2.326 1.00 . A A . 7 TRP CZ3 1 1 18 8024 1 1 8 TRP H H -3.243 -1.794 4.204 1.00 . A A . 7 TRP H 1 1 18 8025 1 1 8 TRP HA H -2.781 -3.730 6.353 1.00 . A A . 7 TRP HA 1 1 18 8026 1 1 8 TRP HB2 H -0.784 -4.341 4.821 1.00 . A A . 7 TRP HB2 1 1 18 8027 1 1 8 TRP HB3 H -2.408 -4.775 4.295 1.00 . A A . 7 TRP HB3 1 1 18 8028 1 1 8 TRP HD1 H -3.535 -2.993 2.448 1.00 . A A . 7 TRP HD1 1 1 18 8029 1 1 8 TRP HE1 H -2.374 -1.769 0.504 1.00 . A A . 7 TRP HE1 1 1 18 8030 1 1 8 TRP HE3 H 1.310 -3.360 4.037 1.00 . A A . 7 TRP HE3 1 1 18 8031 1 1 8 TRP HH2 H 2.564 -1.254 0.540 1.00 . A A . 7 TRP HH2 1 1 18 8032 1 1 8 TRP HZ2 H 0.248 -1.056 -0.256 1.00 . A A . 7 TRP HZ2 1 1 18 8033 1 1 8 TRP HZ3 H 3.085 -2.382 2.642 1.00 . A A . 7 TRP HZ3 1 1 18 8034 1 1 8 TRP N N -3.376 -2.221 5.076 1.00 . A A . 7 TRP N 1 1 18 8035 1 1 8 TRP NE1 N -1.896 -2.150 1.271 1.00 . A A . 7 TRP NE1 1 1 18 8036 1 1 8 TRP O O -0.807 -1.237 5.746 1.00 . A A . 7 TRP O 1 1 18 8037 1 1 9 ASP C C 1.651 -2.622 7.838 1.00 . A A . 8 ASP C 1 1 18 8038 1 1 9 ASP CA C 0.282 -2.034 8.166 1.00 . A A . 8 ASP CA 1 1 18 8039 1 1 9 ASP CB C 0.024 -2.120 9.672 1.00 . A A . 8 ASP CB 1 1 18 8040 1 1 9 ASP CG C -1.433 -1.897 10.022 1.00 . A A . 8 ASP CG 1 1 18 8041 1 1 9 ASP H H -1.148 -3.552 7.802 1.00 . A A . 8 ASP H 1 1 18 8042 1 1 9 ASP HA H 0.269 -0.997 7.866 1.00 . A A . 8 ASP HA 1 1 18 8043 1 1 9 ASP HB2 H 0.315 -3.099 10.025 1.00 . A A . 8 ASP HB2 1 1 18 8044 1 1 9 ASP HB3 H 0.616 -1.370 10.175 1.00 . A A . 8 ASP HB3 1 1 18 8045 1 1 9 ASP N N -0.771 -2.727 7.431 1.00 . A A . 8 ASP N 1 1 18 8046 1 1 9 ASP O O 1.850 -3.836 7.907 1.00 . A A . 8 ASP O 1 1 18 8047 1 1 9 ASP OD1 O -2.297 -2.570 9.423 1.00 . A A . 8 ASP OD1 1 1 18 8048 1 1 9 ASP OD2 O -1.711 -1.050 10.896 1.00 . A A . 8 ASP OD2 1 1 18 8049 1 1 10 CYS C C 4.586 -2.929 8.305 1.00 . A A . 9 CYS C 1 1 18 8050 1 1 10 CYS CA C 3.941 -2.188 7.138 1.00 . A A . 9 CYS CA 1 1 18 8051 1 1 10 CYS CB C 4.801 -0.984 6.746 1.00 . A A . 9 CYS CB 1 1 18 8052 1 1 10 CYS H H 2.372 -0.800 7.442 1.00 . A A . 9 CYS H 1 1 18 8053 1 1 10 CYS HA H 3.872 -2.860 6.296 1.00 . A A . 9 CYS HA 1 1 18 8054 1 1 10 CYS HB2 H 4.183 -0.264 6.230 1.00 . A A . 9 CYS HB2 1 1 18 8055 1 1 10 CYS HB3 H 5.203 -0.533 7.640 1.00 . A A . 9 CYS HB3 1 1 18 8056 1 1 10 CYS N N 2.592 -1.755 7.479 1.00 . A A . 9 CYS N 1 1 18 8057 1 1 10 CYS O O 4.058 -2.935 9.418 1.00 . A A . 9 CYS O 1 1 18 8058 1 1 10 CYS SG S 6.200 -1.395 5.653 1.00 . A A . 9 CYS SG 1 1 18 8059 1 1 11 ASP C C 7.934 -3.948 9.056 1.00 . A A . 10 ASP C 1 1 18 8060 1 1 11 ASP CA C 6.449 -4.294 9.072 1.00 . A A . 10 ASP CA 1 1 18 8061 1 1 11 ASP CB C 6.261 -5.799 8.870 1.00 . A A . 10 ASP CB 1 1 18 8062 1 1 11 ASP CG C 6.560 -6.594 10.126 1.00 . A A . 10 ASP CG 1 1 18 8063 1 1 11 ASP H H 6.101 -3.510 7.138 1.00 . A A . 10 ASP H 1 1 18 8064 1 1 11 ASP HA H 6.038 -4.016 10.031 1.00 . A A . 10 ASP HA 1 1 18 8065 1 1 11 ASP HB2 H 5.239 -5.992 8.580 1.00 . A A . 10 ASP HB2 1 1 18 8066 1 1 11 ASP HB3 H 6.924 -6.136 8.086 1.00 . A A . 10 ASP HB3 1 1 18 8067 1 1 11 ASP N N 5.730 -3.551 8.044 1.00 . A A . 10 ASP N 1 1 18 8068 1 1 11 ASP O O 8.744 -4.602 9.715 1.00 . A A . 10 ASP O 1 1 18 8069 1 1 11 ASP OD1 O 5.859 -6.389 11.139 1.00 . A A . 10 ASP OD1 1 1 18 8070 1 1 11 ASP OD2 O 7.494 -7.421 10.095 1.00 . A A . 10 ASP OD2 1 1 18 8071 1 1 12 THR C C 9.813 -0.996 8.505 1.00 . A A . 11 THR C 1 1 18 8072 1 1 12 THR CA C 9.675 -2.482 8.193 1.00 . A A . 11 THR CA 1 1 18 8073 1 1 12 THR CB C 10.244 -2.754 6.787 1.00 . A A . 11 THR CB 1 1 18 8074 1 1 12 THR CG2 C 11.519 -1.957 6.556 1.00 . A A . 11 THR CG2 1 1 18 8075 1 1 12 THR H H 7.597 -2.433 7.797 1.00 . A A . 11 THR H 1 1 18 8076 1 1 12 THR HA H 10.255 -3.046 8.909 1.00 . A A . 11 THR HA 1 1 18 8077 1 1 12 THR HB H 9.510 -2.451 6.054 1.00 . A A . 11 THR HB 1 1 18 8078 1 1 12 THR HG1 H 10.226 -4.623 7.415 1.00 . A A . 11 THR HG1 1 1 18 8079 1 1 12 THR HG21 H 11.305 -0.902 6.640 1.00 . A A . 11 THR HG21 1 1 18 8080 1 1 12 THR HG22 H 11.902 -2.170 5.569 1.00 . A A . 11 THR HG22 1 1 18 8081 1 1 12 THR HG23 H 12.254 -2.234 7.296 1.00 . A A . 11 THR HG23 1 1 18 8082 1 1 12 THR N N 8.287 -2.914 8.297 1.00 . A A . 11 THR N 1 1 18 8083 1 1 12 THR O O 10.722 -0.585 9.228 1.00 . A A . 11 THR O 1 1 18 8084 1 1 12 THR OG1 O 10.512 -4.151 6.630 1.00 . A A . 11 THR OG1 1 1 18 8085 1 1 13 CYS C C 7.782 1.672 9.097 1.00 . A A . 12 CYS C 1 1 18 8086 1 1 13 CYS CA C 8.926 1.247 8.179 1.00 . A A . 12 CYS CA 1 1 18 8087 1 1 13 CYS CB C 8.828 1.989 6.846 1.00 . A A . 12 CYS CB 1 1 18 8088 1 1 13 CYS H H 8.204 -0.581 7.393 1.00 . A A . 12 CYS H 1 1 18 8089 1 1 13 CYS HA H 9.862 1.497 8.654 1.00 . A A . 12 CYS HA 1 1 18 8090 1 1 13 CYS HB2 H 9.354 2.929 6.927 1.00 . A A . 12 CYS HB2 1 1 18 8091 1 1 13 CYS HB3 H 9.287 1.389 6.074 1.00 . A A . 12 CYS HB3 1 1 18 8092 1 1 13 CYS N N 8.905 -0.194 7.960 1.00 . A A . 12 CYS N 1 1 18 8093 1 1 13 CYS O O 7.721 2.820 9.540 1.00 . A A . 12 CYS O 1 1 18 8094 1 1 13 CYS SG S 7.121 2.355 6.321 1.00 . A A . 12 CYS SG 1 1 18 8095 1 1 14 LEU C C 4.843 2.096 9.635 1.00 . A A . 13 LEU C 1 1 18 8096 1 1 14 LEU CA C 5.735 1.018 10.240 1.00 . A A . 13 LEU CA 1 1 18 8097 1 1 14 LEU CB C 6.214 1.455 11.626 1.00 . A A . 13 LEU CB 1 1 18 8098 1 1 14 LEU CD1 C 7.741 -0.416 12.295 1.00 . A A . 13 LEU CD1 1 1 18 8099 1 1 14 LEU CD2 C 6.530 0.893 14.048 1.00 . A A . 13 LEU CD2 1 1 18 8100 1 1 14 LEU CG C 6.462 0.334 12.635 1.00 . A A . 13 LEU CG 1 1 18 8101 1 1 14 LEU H H 6.978 -0.155 8.993 1.00 . A A . 13 LEU H 1 1 18 8102 1 1 14 LEU HA H 5.164 0.107 10.337 1.00 . A A . 13 LEU HA 1 1 18 8103 1 1 14 LEU HB2 H 7.138 1.998 11.500 1.00 . A A . 13 LEU HB2 1 1 18 8104 1 1 14 LEU HB3 H 5.464 2.116 12.041 1.00 . A A . 13 LEU HB3 1 1 18 8105 1 1 14 LEU HD11 H 7.500 -1.292 11.711 1.00 . A A . 13 LEU HD11 1 1 18 8106 1 1 14 LEU HD12 H 8.235 -0.717 13.207 1.00 . A A . 13 LEU HD12 1 1 18 8107 1 1 14 LEU HD13 H 8.396 0.228 11.727 1.00 . A A . 13 LEU HD13 1 1 18 8108 1 1 14 LEU HD21 H 5.772 1.654 14.171 1.00 . A A . 13 LEU HD21 1 1 18 8109 1 1 14 LEU HD22 H 7.506 1.327 14.218 1.00 . A A . 13 LEU HD22 1 1 18 8110 1 1 14 LEU HD23 H 6.360 0.099 14.759 1.00 . A A . 13 LEU HD23 1 1 18 8111 1 1 14 LEU HG H 5.642 -0.369 12.592 1.00 . A A . 13 LEU HG 1 1 18 8112 1 1 14 LEU N N 6.877 0.740 9.376 1.00 . A A . 13 LEU N 1 1 18 8113 1 1 14 LEU O O 4.897 3.260 10.034 1.00 . A A . 13 LEU O 1 1 18 8114 1 1 15 VAL C C 1.924 1.902 7.395 1.00 . A A . 14 VAL C 1 1 18 8115 1 1 15 VAL CA C 3.112 2.633 8.009 1.00 . A A . 14 VAL CA 1 1 18 8116 1 1 15 VAL CB C 3.833 3.435 6.909 1.00 . A A . 14 VAL CB 1 1 18 8117 1 1 15 VAL CG1 C 2.831 4.222 6.078 1.00 . A A . 14 VAL CG1 1 1 18 8118 1 1 15 VAL CG2 C 4.875 4.359 7.519 1.00 . A A . 14 VAL CG2 1 1 18 8119 1 1 15 VAL H H 4.022 0.761 8.393 1.00 . A A . 14 VAL H 1 1 18 8120 1 1 15 VAL HA H 2.750 3.328 8.753 1.00 . A A . 14 VAL HA 1 1 18 8121 1 1 15 VAL HB H 4.337 2.738 6.256 1.00 . A A . 14 VAL HB 1 1 18 8122 1 1 15 VAL HG11 H 3.227 5.205 5.873 1.00 . A A . 14 VAL HG11 1 1 18 8123 1 1 15 VAL HG12 H 2.646 3.705 5.149 1.00 . A A . 14 VAL HG12 1 1 18 8124 1 1 15 VAL HG13 H 1.905 4.317 6.627 1.00 . A A . 14 VAL HG13 1 1 18 8125 1 1 15 VAL HG21 H 4.404 5.000 8.247 1.00 . A A . 14 VAL HG21 1 1 18 8126 1 1 15 VAL HG22 H 5.642 3.769 8.000 1.00 . A A . 14 VAL HG22 1 1 18 8127 1 1 15 VAL HG23 H 5.321 4.962 6.742 1.00 . A A . 14 VAL HG23 1 1 18 8128 1 1 15 VAL N N 4.019 1.702 8.668 1.00 . A A . 14 VAL N 1 1 18 8129 1 1 15 VAL O O 2.089 0.882 6.726 1.00 . A A . 14 VAL O 1 1 18 8130 1 1 16 GLN C C -0.759 2.303 5.674 1.00 . A A . 15 GLN C 1 1 18 8131 1 1 16 GLN CA C -0.491 1.826 7.097 1.00 . A A . 15 GLN CA 1 1 18 8132 1 1 16 GLN CB C -1.684 2.160 7.993 1.00 . A A . 15 GLN CB 1 1 18 8133 1 1 16 GLN CD C -2.485 2.001 10.385 1.00 . A A . 15 GLN CD 1 1 18 8134 1 1 16 GLN CG C -1.761 1.305 9.248 1.00 . A A . 15 GLN CG 1 1 18 8135 1 1 16 GLN H H 0.659 3.244 8.169 1.00 . A A . 15 GLN H 1 1 18 8136 1 1 16 GLN HA H -0.350 0.756 7.084 1.00 . A A . 15 GLN HA 1 1 18 8137 1 1 16 GLN HB2 H -1.616 3.196 8.292 1.00 . A A . 15 GLN HB2 1 1 18 8138 1 1 16 GLN HB3 H -2.593 2.015 7.430 1.00 . A A . 15 GLN HB3 1 1 18 8139 1 1 16 GLN HE21 H -4.158 2.062 9.311 1.00 . A A . 15 GLN HE21 1 1 18 8140 1 1 16 GLN HE22 H -4.254 2.750 10.893 1.00 . A A . 15 GLN HE22 1 1 18 8141 1 1 16 GLN HG2 H -2.283 0.391 9.015 1.00 . A A . 15 GLN HG2 1 1 18 8142 1 1 16 GLN HG3 H -0.756 1.072 9.570 1.00 . A A . 15 GLN HG3 1 1 18 8143 1 1 16 GLN N N 0.726 2.429 7.628 1.00 . A A . 15 GLN N 1 1 18 8144 1 1 16 GLN NE2 N -3.761 2.302 10.175 1.00 . A A . 15 GLN NE2 1 1 18 8145 1 1 16 GLN O O -0.451 3.441 5.322 1.00 . A A . 15 GLN O 1 1 18 8146 1 1 16 GLN OE1 O -1.904 2.263 11.438 1.00 . A A . 15 GLN OE1 1 1 18 8147 1 1 17 ASN C C -2.945 1.094 3.031 1.00 . A A . 16 ASN C 1 1 18 8148 1 1 17 ASN CA C -1.643 1.758 3.472 1.00 . A A . 16 ASN CA 1 1 18 8149 1 1 17 ASN CB C -0.499 1.322 2.554 1.00 . A A . 16 ASN CB 1 1 18 8150 1 1 17 ASN CG C 0.847 1.361 3.250 1.00 . A A . 16 ASN CG 1 1 18 8151 1 1 17 ASN H H -1.556 0.533 5.196 1.00 . A A . 16 ASN H 1 1 18 8152 1 1 17 ASN HA H -1.758 2.829 3.406 1.00 . A A . 16 ASN HA 1 1 18 8153 1 1 17 ASN HB2 H -0.680 0.311 2.219 1.00 . A A . 16 ASN HB2 1 1 18 8154 1 1 17 ASN HB3 H -0.462 1.980 1.699 1.00 . A A . 16 ASN HB3 1 1 18 8155 1 1 17 ASN HD21 H 0.265 -0.063 4.510 1.00 . A A . 16 ASN HD21 1 1 18 8156 1 1 17 ASN HD22 H 1.872 0.528 4.736 1.00 . A A . 16 ASN HD22 1 1 18 8157 1 1 17 ASN N N -1.334 1.425 4.859 1.00 . A A . 16 ASN N 1 1 18 8158 1 1 17 ASN ND2 N 1.011 0.524 4.269 1.00 . A A . 16 ASN ND2 1 1 18 8159 1 1 17 ASN O O -3.342 0.060 3.570 1.00 . A A . 16 ASN O 1 1 18 8160 1 1 17 ASN OD1 O 1.729 2.134 2.877 1.00 . A A . 16 ASN OD1 1 1 18 8161 1 1 18 LYS C C -4.632 -0.143 0.783 1.00 . A A . 17 LYS C 1 1 18 8162 1 1 18 LYS CA C -4.862 1.166 1.532 1.00 . A A . 17 LYS CA 1 1 18 8163 1 1 18 LYS CB C -5.529 2.185 0.607 1.00 . A A . 17 LYS CB 1 1 18 8164 1 1 18 LYS CD C -5.824 2.944 -1.769 1.00 . A A . 17 LYS CD 1 1 18 8165 1 1 18 LYS CE C -5.613 4.450 -1.766 1.00 . A A . 17 LYS CE 1 1 18 8166 1 1 18 LYS CG C -4.905 2.250 -0.776 1.00 . A A . 17 LYS CG 1 1 18 8167 1 1 18 LYS H H -3.239 2.519 1.660 1.00 . A A . 17 LYS H 1 1 18 8168 1 1 18 LYS HA H -5.511 0.975 2.373 1.00 . A A . 17 LYS HA 1 1 18 8169 1 1 18 LYS HB2 H -6.572 1.927 0.499 1.00 . A A . 17 LYS HB2 1 1 18 8170 1 1 18 LYS HB3 H -5.455 3.165 1.058 1.00 . A A . 17 LYS HB3 1 1 18 8171 1 1 18 LYS HD2 H -5.619 2.565 -2.760 1.00 . A A . 17 LYS HD2 1 1 18 8172 1 1 18 LYS HD3 H -6.851 2.731 -1.505 1.00 . A A . 17 LYS HD3 1 1 18 8173 1 1 18 LYS HE2 H -6.378 4.908 -2.373 1.00 . A A . 17 LYS HE2 1 1 18 8174 1 1 18 LYS HE3 H -5.694 4.809 -0.751 1.00 . A A . 17 LYS HE3 1 1 18 8175 1 1 18 LYS HG2 H -3.977 2.798 -0.718 1.00 . A A . 17 LYS HG2 1 1 18 8176 1 1 18 LYS HG3 H -4.711 1.245 -1.121 1.00 . A A . 17 LYS HG3 1 1 18 8177 1 1 18 LYS HZ1 H -4.291 5.807 -2.646 1.00 . A A . 17 LYS HZ1 1 1 18 8178 1 1 18 LYS HZ2 H -4.024 4.199 -3.100 1.00 . A A . 17 LYS HZ2 1 1 18 8179 1 1 18 LYS HZ3 H -3.553 4.735 -1.565 1.00 . A A . 17 LYS HZ3 1 1 18 8180 1 1 18 LYS N N -3.606 1.697 2.048 1.00 . A A . 17 LYS N 1 1 18 8181 1 1 18 LYS NZ N -4.277 4.823 -2.307 1.00 . A A . 17 LYS NZ 1 1 18 8182 1 1 18 LYS O O -3.598 -0.348 0.146 1.00 . A A . 17 LYS O 1 1 18 8183 1 1 19 PRO C C -5.637 -2.233 -1.329 1.00 . A A . 18 PRO C 1 1 18 8184 1 1 19 PRO CA C -5.546 -2.352 0.189 1.00 . A A . 18 PRO CA 1 1 18 8185 1 1 19 PRO CB C -6.762 -3.101 0.740 1.00 . A A . 18 PRO CB 1 1 18 8186 1 1 19 PRO CD C -6.878 -0.872 1.597 1.00 . A A . 18 PRO CD 1 1 18 8187 1 1 19 PRO CG C -7.720 -2.029 1.135 1.00 . A A . 18 PRO CG 1 1 18 8188 1 1 19 PRO HA H -4.644 -2.885 0.453 1.00 . A A . 18 PRO HA 1 1 18 8189 1 1 19 PRO HB2 H -7.176 -3.737 -0.029 1.00 . A A . 18 PRO HB2 1 1 18 8190 1 1 19 PRO HB3 H -6.467 -3.698 1.590 1.00 . A A . 18 PRO HB3 1 1 18 8191 1 1 19 PRO HD2 H -7.349 0.065 1.338 1.00 . A A . 18 PRO HD2 1 1 18 8192 1 1 19 PRO HD3 H -6.709 -0.929 2.663 1.00 . A A . 18 PRO HD3 1 1 18 8193 1 1 19 PRO HG2 H -8.318 -1.741 0.285 1.00 . A A . 18 PRO HG2 1 1 18 8194 1 1 19 PRO HG3 H -8.350 -2.378 1.939 1.00 . A A . 18 PRO HG3 1 1 18 8195 1 1 19 PRO N N -5.618 -1.050 0.856 1.00 . A A . 18 PRO N 1 1 18 8196 1 1 19 PRO O O -5.404 -3.201 -2.051 1.00 . A A . 18 PRO O 1 1 18 8197 1 1 20 GLU C C -4.753 -0.406 -3.838 1.00 . A A . 19 GLU C 1 1 18 8198 1 1 20 GLU CA C -6.100 -0.794 -3.235 1.00 . A A . 19 GLU CA 1 1 18 8199 1 1 20 GLU CB C -7.127 0.310 -3.502 1.00 . A A . 19 GLU CB 1 1 18 8200 1 1 20 GLU CD C -7.964 2.082 -5.095 1.00 . A A . 19 GLU CD 1 1 18 8201 1 1 20 GLU CG C -6.850 1.107 -4.765 1.00 . A A . 19 GLU CG 1 1 18 8202 1 1 20 GLU H H -6.152 -0.305 -1.176 1.00 . A A . 19 GLU H 1 1 18 8203 1 1 20 GLU HA H -6.440 -1.707 -3.700 1.00 . A A . 19 GLU HA 1 1 18 8204 1 1 20 GLU HB2 H -8.105 -0.139 -3.590 1.00 . A A . 19 GLU HB2 1 1 18 8205 1 1 20 GLU HB3 H -7.128 0.992 -2.664 1.00 . A A . 19 GLU HB3 1 1 18 8206 1 1 20 GLU HG2 H -5.934 1.662 -4.632 1.00 . A A . 19 GLU HG2 1 1 18 8207 1 1 20 GLU HG3 H -6.737 0.420 -5.590 1.00 . A A . 19 GLU HG3 1 1 18 8208 1 1 20 GLU N N -5.978 -1.038 -1.804 1.00 . A A . 19 GLU N 1 1 18 8209 1 1 20 GLU O O -4.618 -0.283 -5.055 1.00 . A A . 19 GLU O 1 1 18 8210 1 1 20 GLU OE1 O -8.396 2.818 -4.183 1.00 . A A . 19 GLU OE1 1 1 18 8211 1 1 20 GLU OE2 O -8.403 2.109 -6.263 1.00 . A A . 19 GLU OE2 1 1 18 8212 1 1 21 ALA C C -1.608 -1.073 -3.805 1.00 . A A . 20 ALA C 1 1 18 8213 1 1 21 ALA CA C -2.423 0.158 -3.423 1.00 . A A . 20 ALA CA 1 1 18 8214 1 1 21 ALA CB C -1.707 0.952 -2.340 1.00 . A A . 20 ALA CB 1 1 18 8215 1 1 21 ALA H H -3.930 -0.326 -2.018 1.00 . A A . 20 ALA H 1 1 18 8216 1 1 21 ALA HA H -2.526 0.794 -4.291 1.00 . A A . 20 ALA HA 1 1 18 8217 1 1 21 ALA HB1 H -1.689 0.376 -1.426 1.00 . A A . 20 ALA HB1 1 1 18 8218 1 1 21 ALA HB2 H -0.694 1.158 -2.655 1.00 . A A . 20 ALA HB2 1 1 18 8219 1 1 21 ALA HB3 H -2.228 1.882 -2.171 1.00 . A A . 20 ALA HB3 1 1 18 8220 1 1 21 ALA N N -3.759 -0.214 -2.976 1.00 . A A . 20 ALA N 1 1 18 8221 1 1 21 ALA O O -2.062 -2.206 -3.636 1.00 . A A . 20 ALA O 1 1 18 8222 1 1 22 ILE C C 1.742 -1.961 -3.886 1.00 . A A . 21 ILE C 1 1 18 8223 1 1 22 ILE CA C 0.471 -1.936 -4.727 1.00 . A A . 21 ILE CA 1 1 18 8224 1 1 22 ILE CB C 0.855 -1.828 -6.214 1.00 . A A . 21 ILE CB 1 1 18 8225 1 1 22 ILE CD1 C 2.460 -0.684 -7.824 1.00 . A A . 21 ILE CD1 1 1 18 8226 1 1 22 ILE CG1 C 2.097 -0.951 -6.380 1.00 . A A . 21 ILE CG1 1 1 18 8227 1 1 22 ILE CG2 C -0.307 -1.267 -7.020 1.00 . A A . 21 ILE CG2 1 1 18 8228 1 1 22 ILE H H -0.100 0.079 -4.431 1.00 . A A . 21 ILE H 1 1 18 8229 1 1 22 ILE HA H -0.063 -2.865 -4.580 1.00 . A A . 21 ILE HA 1 1 18 8230 1 1 22 ILE HB H 1.070 -2.820 -6.580 1.00 . A A . 21 ILE HB 1 1 18 8231 1 1 22 ILE HD11 H 3.499 -0.394 -7.888 1.00 . A A . 21 ILE HD11 1 1 18 8232 1 1 22 ILE HD12 H 2.297 -1.578 -8.408 1.00 . A A . 21 ILE HD12 1 1 18 8233 1 1 22 ILE HD13 H 1.841 0.114 -8.208 1.00 . A A . 21 ILE HD13 1 1 18 8234 1 1 22 ILE HG12 H 1.927 -0.001 -5.900 1.00 . A A . 21 ILE HG12 1 1 18 8235 1 1 22 ILE HG13 H 2.939 -1.441 -5.911 1.00 . A A . 21 ILE HG13 1 1 18 8236 1 1 22 ILE HG21 H -1.128 -1.969 -7.005 1.00 . A A . 21 ILE HG21 1 1 18 8237 1 1 22 ILE HG22 H -0.627 -0.331 -6.588 1.00 . A A . 21 ILE HG22 1 1 18 8238 1 1 22 ILE HG23 H 0.007 -1.104 -8.041 1.00 . A A . 21 ILE HG23 1 1 18 8239 1 1 22 ILE N N -0.406 -0.845 -4.321 1.00 . A A . 21 ILE N 1 1 18 8240 1 1 22 ILE O O 2.473 -2.954 -3.872 1.00 . A A . 21 ILE O 1 1 18 8241 1 1 23 LYS C C 2.964 0.252 -1.216 1.00 . A A . 22 LYS C 1 1 18 8242 1 1 23 LYS CA C 3.185 -0.760 -2.337 1.00 . A A . 22 LYS CA 1 1 18 8243 1 1 23 LYS CB C 4.402 -0.353 -3.171 1.00 . A A . 22 LYS CB 1 1 18 8244 1 1 23 LYS CD C 5.264 1.044 -5.072 1.00 . A A . 22 LYS CD 1 1 18 8245 1 1 23 LYS CE C 5.116 2.356 -5.829 1.00 . A A . 22 LYS CE 1 1 18 8246 1 1 23 LYS CG C 4.161 0.868 -4.042 1.00 . A A . 22 LYS CG 1 1 18 8247 1 1 23 LYS H H 1.384 -0.105 -3.235 1.00 . A A . 22 LYS H 1 1 18 8248 1 1 23 LYS HA H 3.367 -1.729 -1.899 1.00 . A A . 22 LYS HA 1 1 18 8249 1 1 23 LYS HB2 H 5.225 -0.138 -2.505 1.00 . A A . 22 LYS HB2 1 1 18 8250 1 1 23 LYS HB3 H 4.675 -1.178 -3.813 1.00 . A A . 22 LYS HB3 1 1 18 8251 1 1 23 LYS HD2 H 6.220 1.039 -4.569 1.00 . A A . 22 LYS HD2 1 1 18 8252 1 1 23 LYS HD3 H 5.222 0.225 -5.776 1.00 . A A . 22 LYS HD3 1 1 18 8253 1 1 23 LYS HE2 H 5.751 2.326 -6.702 1.00 . A A . 22 LYS HE2 1 1 18 8254 1 1 23 LYS HE3 H 4.086 2.464 -6.136 1.00 . A A . 22 LYS HE3 1 1 18 8255 1 1 23 LYS HG2 H 3.219 0.753 -4.556 1.00 . A A . 22 LYS HG2 1 1 18 8256 1 1 23 LYS HG3 H 4.126 1.746 -3.413 1.00 . A A . 22 LYS HG3 1 1 18 8257 1 1 23 LYS HZ1 H 5.640 3.227 -4.006 1.00 . A A . 22 LYS HZ1 1 1 18 8258 1 1 23 LYS HZ2 H 4.745 4.244 -5.018 1.00 . A A . 22 LYS HZ2 1 1 18 8259 1 1 23 LYS HZ3 H 6.378 3.948 -5.347 1.00 . A A . 22 LYS HZ3 1 1 18 8260 1 1 23 LYS N N 2.003 -0.864 -3.183 1.00 . A A . 22 LYS N 1 1 18 8261 1 1 23 LYS NZ N 5.496 3.526 -4.991 1.00 . A A . 22 LYS NZ 1 1 18 8262 1 1 23 LYS O O 1.922 0.907 -1.153 1.00 . A A . 22 LYS O 1 1 18 8263 1 1 24 CYS C C 3.957 2.751 0.298 1.00 . A A . 23 CYS C 1 1 18 8264 1 1 24 CYS CA C 3.863 1.308 0.784 1.00 . A A . 23 CYS CA 1 1 18 8265 1 1 24 CYS CB C 4.976 1.026 1.796 1.00 . A A . 23 CYS CB 1 1 18 8266 1 1 24 CYS H H 4.756 -0.174 -0.436 1.00 . A A . 23 CYS H 1 1 18 8267 1 1 24 CYS HA H 2.908 1.163 1.264 1.00 . A A . 23 CYS HA 1 1 18 8268 1 1 24 CYS HB2 H 5.222 -0.025 1.766 1.00 . A A . 23 CYS HB2 1 1 18 8269 1 1 24 CYS HB3 H 5.848 1.604 1.530 1.00 . A A . 23 CYS HB3 1 1 18 8270 1 1 24 CYS N N 3.950 0.376 -0.333 1.00 . A A . 23 CYS N 1 1 18 8271 1 1 24 CYS O O 4.578 3.033 -0.726 1.00 . A A . 23 CYS O 1 1 18 8272 1 1 24 CYS SG S 4.539 1.441 3.516 1.00 . A A . 23 CYS SG 1 1 18 8273 1 1 25 VAL C C 4.358 5.843 1.530 1.00 . A A . 24 VAL C 1 1 18 8274 1 1 25 VAL CA C 3.348 5.075 0.686 1.00 . A A . 24 VAL CA 1 1 18 8275 1 1 25 VAL CB C 1.956 5.712 0.864 1.00 . A A . 24 VAL CB 1 1 18 8276 1 1 25 VAL CG1 C 1.597 5.805 2.339 1.00 . A A . 24 VAL CG1 1 1 18 8277 1 1 25 VAL CG2 C 1.910 7.083 0.209 1.00 . A A . 24 VAL CG2 1 1 18 8278 1 1 25 VAL H H 2.856 3.375 1.846 1.00 . A A . 24 VAL H 1 1 18 8279 1 1 25 VAL HA H 3.626 5.157 -0.355 1.00 . A A . 24 VAL HA 1 1 18 8280 1 1 25 VAL HB H 1.229 5.079 0.378 1.00 . A A . 24 VAL HB 1 1 18 8281 1 1 25 VAL HG11 H 1.890 6.772 2.721 1.00 . A A . 24 VAL HG11 1 1 18 8282 1 1 25 VAL HG12 H 0.530 5.677 2.459 1.00 . A A . 24 VAL HG12 1 1 18 8283 1 1 25 VAL HG13 H 2.115 5.031 2.885 1.00 . A A . 24 VAL HG13 1 1 18 8284 1 1 25 VAL HG21 H 1.174 7.080 -0.581 1.00 . A A . 24 VAL HG21 1 1 18 8285 1 1 25 VAL HG22 H 1.643 7.826 0.946 1.00 . A A . 24 VAL HG22 1 1 18 8286 1 1 25 VAL HG23 H 2.880 7.319 -0.204 1.00 . A A . 24 VAL HG23 1 1 18 8287 1 1 25 VAL N N 3.334 3.661 1.040 1.00 . A A . 24 VAL N 1 1 18 8288 1 1 25 VAL O O 4.269 7.064 1.665 1.00 . A A . 24 VAL O 1 1 18 8289 1 1 26 ALA C C 7.726 5.169 2.600 1.00 . A A . 25 ALA C 1 1 18 8290 1 1 26 ALA CA C 6.349 5.735 2.925 1.00 . A A . 25 ALA CA 1 1 18 8291 1 1 26 ALA CB C 6.029 5.535 4.399 1.00 . A A . 25 ALA CB 1 1 18 8292 1 1 26 ALA H H 5.336 4.153 1.952 1.00 . A A . 25 ALA H 1 1 18 8293 1 1 26 ALA HA H 6.349 6.797 2.724 1.00 . A A . 25 ALA HA 1 1 18 8294 1 1 26 ALA HB1 H 5.976 4.478 4.615 1.00 . A A . 25 ALA HB1 1 1 18 8295 1 1 26 ALA HB2 H 6.802 5.988 5.001 1.00 . A A . 25 ALA HB2 1 1 18 8296 1 1 26 ALA HB3 H 5.078 5.996 4.627 1.00 . A A . 25 ALA HB3 1 1 18 8297 1 1 26 ALA N N 5.319 5.122 2.097 1.00 . A A . 25 ALA N 1 1 18 8298 1 1 26 ALA O O 8.694 5.914 2.444 1.00 . A A . 25 ALA O 1 1 18 8299 1 1 27 CYS C C 9.034 2.570 0.794 1.00 . A A . 26 CYS C 1 1 18 8300 1 1 27 CYS CA C 9.067 3.179 2.192 1.00 . A A . 26 CYS CA 1 1 18 8301 1 1 27 CYS CB C 9.356 2.091 3.228 1.00 . A A . 26 CYS CB 1 1 18 8302 1 1 27 CYS H H 7.001 3.305 2.634 1.00 . A A . 26 CYS H 1 1 18 8303 1 1 27 CYS HA H 9.853 3.918 2.231 1.00 . A A . 26 CYS HA 1 1 18 8304 1 1 27 CYS HB2 H 10.393 1.795 3.149 1.00 . A A . 26 CYS HB2 1 1 18 8305 1 1 27 CYS HB3 H 9.177 2.487 4.216 1.00 . A A . 26 CYS HB3 1 1 18 8306 1 1 27 CYS N N 7.808 3.846 2.498 1.00 . A A . 26 CYS N 1 1 18 8307 1 1 27 CYS O O 10.068 2.181 0.251 1.00 . A A . 26 CYS O 1 1 18 8308 1 1 27 CYS SG S 8.339 0.593 3.037 1.00 . A A . 26 CYS SG 1 1 18 8309 1 1 28 GLU C C 7.847 0.411 -1.095 1.00 . A A . 27 GLU C 1 1 18 8310 1 1 28 GLU CA C 7.671 1.928 -1.117 1.00 . A A . 27 GLU CA 1 1 18 8311 1 1 28 GLU CB C 8.674 2.553 -2.089 1.00 . A A . 27 GLU CB 1 1 18 8312 1 1 28 GLU CD C 9.353 4.800 -3.023 1.00 . A A . 27 GLU CD 1 1 18 8313 1 1 28 GLU CG C 8.992 4.008 -1.782 1.00 . A A . 27 GLU CG 1 1 18 8314 1 1 28 GLU H H 7.052 2.816 0.701 1.00 . A A . 27 GLU H 1 1 18 8315 1 1 28 GLU HA H 6.670 2.156 -1.451 1.00 . A A . 27 GLU HA 1 1 18 8316 1 1 28 GLU HB2 H 9.595 1.989 -2.051 1.00 . A A . 27 GLU HB2 1 1 18 8317 1 1 28 GLU HB3 H 8.271 2.499 -3.089 1.00 . A A . 27 GLU HB3 1 1 18 8318 1 1 28 GLU HG2 H 8.128 4.463 -1.322 1.00 . A A . 27 GLU HG2 1 1 18 8319 1 1 28 GLU HG3 H 9.824 4.043 -1.095 1.00 . A A . 27 GLU HG3 1 1 18 8320 1 1 28 GLU N N 7.839 2.490 0.217 1.00 . A A . 27 GLU N 1 1 18 8321 1 1 28 GLU O O 8.395 -0.176 -2.028 1.00 . A A . 27 GLU O 1 1 18 8322 1 1 28 GLU OE1 O 9.110 4.298 -4.140 1.00 . A A . 27 GLU OE1 1 1 18 8323 1 1 28 GLU OE2 O 9.879 5.923 -2.876 1.00 . A A . 27 GLU OE2 1 1 18 8324 1 1 29 THR C C 6.486 -2.382 -0.774 1.00 . A A . 28 THR C 1 1 18 8325 1 1 29 THR CA C 7.485 -1.663 0.126 1.00 . A A . 28 THR CA 1 1 18 8326 1 1 29 THR CB C 7.251 -2.099 1.584 1.00 . A A . 28 THR CB 1 1 18 8327 1 1 29 THR CG2 C 6.358 -3.328 1.645 1.00 . A A . 28 THR CG2 1 1 18 8328 1 1 29 THR H H 6.953 0.306 0.689 1.00 . A A . 28 THR H 1 1 18 8329 1 1 29 THR HA H 8.486 -1.954 -0.159 1.00 . A A . 28 THR HA 1 1 18 8330 1 1 29 THR HB H 6.763 -1.291 2.111 1.00 . A A . 28 THR HB 1 1 18 8331 1 1 29 THR HG1 H 9.217 -1.991 1.706 1.00 . A A . 28 THR HG1 1 1 18 8332 1 1 29 THR HG21 H 6.704 -4.061 0.930 1.00 . A A . 28 THR HG21 1 1 18 8333 1 1 29 THR HG22 H 5.342 -3.047 1.410 1.00 . A A . 28 THR HG22 1 1 18 8334 1 1 29 THR HG23 H 6.394 -3.750 2.637 1.00 . A A . 28 THR HG23 1 1 18 8335 1 1 29 THR N N 7.379 -0.217 -0.021 1.00 . A A . 28 THR N 1 1 18 8336 1 1 29 THR O O 5.364 -1.923 -0.987 1.00 . A A . 28 THR O 1 1 18 8337 1 1 29 THR OG1 O 8.503 -2.380 2.218 1.00 . A A . 28 THR OG1 1 1 18 8338 1 1 30 PRO C C 4.896 -4.996 -1.459 1.00 . A A . 29 PRO C 1 1 18 8339 1 1 30 PRO CA C 6.057 -4.344 -2.201 1.00 . A A . 29 PRO CA 1 1 18 8340 1 1 30 PRO CB C 7.018 -5.410 -2.733 1.00 . A A . 29 PRO CB 1 1 18 8341 1 1 30 PRO CD C 8.227 -4.143 -1.106 1.00 . A A . 29 PRO CD 1 1 18 8342 1 1 30 PRO CG C 8.076 -5.521 -1.690 1.00 . A A . 29 PRO CG 1 1 18 8343 1 1 30 PRO HA H 5.672 -3.760 -3.024 1.00 . A A . 29 PRO HA 1 1 18 8344 1 1 30 PRO HB2 H 6.488 -6.344 -2.860 1.00 . A A . 29 PRO HB2 1 1 18 8345 1 1 30 PRO HB3 H 7.428 -5.091 -3.679 1.00 . A A . 29 PRO HB3 1 1 18 8346 1 1 30 PRO HD2 H 8.461 -4.203 -0.054 1.00 . A A . 29 PRO HD2 1 1 18 8347 1 1 30 PRO HD3 H 8.990 -3.591 -1.633 1.00 . A A . 29 PRO HD3 1 1 18 8348 1 1 30 PRO HG2 H 7.769 -6.219 -0.927 1.00 . A A . 29 PRO HG2 1 1 18 8349 1 1 30 PRO HG3 H 9.004 -5.839 -2.142 1.00 . A A . 29 PRO HG3 1 1 18 8350 1 1 30 PRO N N 6.901 -3.536 -1.316 1.00 . A A . 29 PRO N 1 1 18 8351 1 1 30 PRO O O 5.099 -5.838 -0.583 1.00 . A A . 29 PRO O 1 1 18 8352 1 1 31 LYS C C 2.039 -6.434 -1.876 1.00 . A A . 30 LYS C 1 1 18 8353 1 1 31 LYS CA C 2.482 -5.150 -1.182 1.00 . A A . 30 LYS CA 1 1 18 8354 1 1 31 LYS CB C 1.347 -4.123 -1.214 1.00 . A A . 30 LYS CB 1 1 18 8355 1 1 31 LYS CD C -1.148 -3.883 -1.369 1.00 . A A . 30 LYS CD 1 1 18 8356 1 1 31 LYS CE C -2.419 -4.716 -1.465 1.00 . A A . 30 LYS CE 1 1 18 8357 1 1 31 LYS CG C 0.002 -4.690 -0.791 1.00 . A A . 30 LYS CG 1 1 18 8358 1 1 31 LYS H H 3.579 -3.929 -2.518 1.00 . A A . 30 LYS H 1 1 18 8359 1 1 31 LYS HA H 2.724 -5.375 -0.155 1.00 . A A . 30 LYS HA 1 1 18 8360 1 1 31 LYS HB2 H 1.596 -3.309 -0.551 1.00 . A A . 30 LYS HB2 1 1 18 8361 1 1 31 LYS HB3 H 1.253 -3.742 -2.220 1.00 . A A . 30 LYS HB3 1 1 18 8362 1 1 31 LYS HD2 H -1.336 -3.032 -0.732 1.00 . A A . 30 LYS HD2 1 1 18 8363 1 1 31 LYS HD3 H -0.876 -3.542 -2.358 1.00 . A A . 30 LYS HD3 1 1 18 8364 1 1 31 LYS HE2 H -2.152 -5.760 -1.420 1.00 . A A . 30 LYS HE2 1 1 18 8365 1 1 31 LYS HE3 H -3.057 -4.470 -0.629 1.00 . A A . 30 LYS HE3 1 1 18 8366 1 1 31 LYS HG2 H -0.074 -5.709 -1.139 1.00 . A A . 30 LYS HG2 1 1 18 8367 1 1 31 LYS HG3 H -0.062 -4.671 0.288 1.00 . A A . 30 LYS HG3 1 1 18 8368 1 1 31 LYS HZ1 H -3.468 -3.465 -2.767 1.00 . A A . 30 LYS HZ1 1 1 18 8369 1 1 31 LYS HZ2 H -3.992 -5.073 -2.791 1.00 . A A . 30 LYS HZ2 1 1 18 8370 1 1 31 LYS HZ3 H -2.541 -4.645 -3.549 1.00 . A A . 30 LYS HZ3 1 1 18 8371 1 1 31 LYS N N 3.677 -4.603 -1.813 1.00 . A A . 30 LYS N 1 1 18 8372 1 1 31 LYS NZ N -3.157 -4.456 -2.732 1.00 . A A . 30 LYS NZ 1 1 18 8373 1 1 31 LYS O O 2.134 -6.574 -3.095 1.00 . A A . 30 LYS O 1 1 18 8374 1 1 32 PRO C C -0.211 -8.552 -2.408 1.00 . A A . 31 PRO C 1 1 18 8375 1 1 32 PRO CA C 1.074 -8.685 -1.600 1.00 . A A . 31 PRO CA 1 1 18 8376 1 1 32 PRO CB C 0.827 -9.506 -0.333 1.00 . A A . 31 PRO CB 1 1 18 8377 1 1 32 PRO CD C 1.401 -7.298 0.380 1.00 . A A . 31 PRO CD 1 1 18 8378 1 1 32 PRO CG C 0.561 -8.495 0.729 1.00 . A A . 31 PRO CG 1 1 18 8379 1 1 32 PRO HA H 1.829 -9.169 -2.203 1.00 . A A . 31 PRO HA 1 1 18 8380 1 1 32 PRO HB2 H -0.025 -10.156 -0.482 1.00 . A A . 31 PRO HB2 1 1 18 8381 1 1 32 PRO HB3 H 1.700 -10.097 -0.105 1.00 . A A . 31 PRO HB3 1 1 18 8382 1 1 32 PRO HD2 H 0.893 -6.387 0.657 1.00 . A A . 31 PRO HD2 1 1 18 8383 1 1 32 PRO HD3 H 2.364 -7.359 0.864 1.00 . A A . 31 PRO HD3 1 1 18 8384 1 1 32 PRO HG2 H -0.487 -8.231 0.731 1.00 . A A . 31 PRO HG2 1 1 18 8385 1 1 32 PRO HG3 H 0.852 -8.889 1.691 1.00 . A A . 31 PRO HG3 1 1 18 8386 1 1 32 PRO N N 1.543 -7.396 -1.083 1.00 . A A . 31 PRO N 1 1 18 8387 1 1 32 PRO O O -0.316 -7.639 -3.227 1.00 . A A . 31 PRO O 1 1 18 8388 2 2 1 ZN ZN ZN 6.547 0.748 4.632 1.00 . B A . 32 ZN ZN 1 1 19 8389 1 1 2 HIS C C -17.181 -3.562 -1.454 1.00 . A A . 1 HIS C 1 1 19 8390 1 1 2 HIS CA C -17.666 -2.790 -2.678 1.00 . A A . 1 HIS CA 1 1 19 8391 1 1 2 HIS CB C -16.832 -1.521 -2.857 1.00 . A A . 1 HIS CB 1 1 19 8392 1 1 2 HIS CD2 C -16.350 -1.562 -5.405 1.00 . A A . 1 HIS CD2 1 1 19 8393 1 1 2 HIS CE1 C -17.182 0.400 -5.921 1.00 . A A . 1 HIS CE1 1 1 19 8394 1 1 2 HIS CG C -16.820 -1.007 -4.264 1.00 . A A . 1 HIS CG 1 1 19 8395 1 1 2 HIS H H -19.443 -2.230 -1.672 1.00 . A A . 1 HIS H 1 1 19 8396 1 1 2 HIS HA H -17.548 -3.414 -3.551 1.00 . A A . 1 HIS HA 1 1 19 8397 1 1 2 HIS HB2 H -17.233 -0.743 -2.224 1.00 . A A . 1 HIS HB2 1 1 19 8398 1 1 2 HIS HB3 H -15.811 -1.725 -2.568 1.00 . A A . 1 HIS HB3 1 1 19 8399 1 1 2 HIS HD1 H -17.749 0.867 -4.012 1.00 . A A . 1 HIS HD1 1 1 19 8400 1 1 2 HIS HD2 H -15.876 -2.530 -5.501 1.00 . A A . 1 HIS HD2 1 1 19 8401 1 1 2 HIS HE1 H -17.491 1.270 -6.481 1.00 . A A . 1 HIS HE1 1 1 19 8402 1 1 2 HIS N N -19.080 -2.455 -2.554 1.00 . A A . 1 HIS N 1 1 19 8403 1 1 2 HIS ND1 N -17.334 0.222 -4.621 1.00 . A A . 1 HIS ND1 1 1 19 8404 1 1 2 HIS NE2 N -16.586 -0.669 -6.421 1.00 . A A . 1 HIS NE2 1 1 19 8405 1 1 2 HIS O O -17.781 -3.485 -0.383 1.00 . A A . 1 HIS O 1 1 19 8406 1 1 3 MET C C -14.037 -4.806 -0.370 1.00 . A A . 2 MET C 1 1 19 8407 1 1 3 MET CA C -15.527 -5.090 -0.531 1.00 . A A . 2 MET CA 1 1 19 8408 1 1 3 MET CB C -15.749 -6.583 -0.781 1.00 . A A . 2 MET CB 1 1 19 8409 1 1 3 MET CE C -17.532 -9.460 -0.082 1.00 . A A . 2 MET CE 1 1 19 8410 1 1 3 MET CG C -17.181 -6.931 -1.157 1.00 . A A . 2 MET CG 1 1 19 8411 1 1 3 MET H H -15.657 -4.326 -2.500 1.00 . A A . 2 MET H 1 1 19 8412 1 1 3 MET HA H -16.036 -4.807 0.379 1.00 . A A . 2 MET HA 1 1 19 8413 1 1 3 MET HB2 H -15.101 -6.902 -1.583 1.00 . A A . 2 MET HB2 1 1 19 8414 1 1 3 MET HB3 H -15.495 -7.129 0.117 1.00 . A A . 2 MET HB3 1 1 19 8415 1 1 3 MET HE1 H -18.186 -8.880 0.553 1.00 . A A . 2 MET HE1 1 1 19 8416 1 1 3 MET HE2 H -17.949 -10.446 -0.222 1.00 . A A . 2 MET HE2 1 1 19 8417 1 1 3 MET HE3 H -16.560 -9.543 0.383 1.00 . A A . 2 MET HE3 1 1 19 8418 1 1 3 MET HG2 H -17.817 -6.754 -0.303 1.00 . A A . 2 MET HG2 1 1 19 8419 1 1 3 MET HG3 H -17.489 -6.290 -1.971 1.00 . A A . 2 MET HG3 1 1 19 8420 1 1 3 MET N N -16.093 -4.305 -1.622 1.00 . A A . 2 MET N 1 1 19 8421 1 1 3 MET O O -13.244 -5.716 -0.128 1.00 . A A . 2 MET O 1 1 19 8422 1 1 3 MET SD S -17.367 -8.649 -1.670 1.00 . A A . 2 MET SD 1 1 19 8423 1 1 4 VAL C C -12.110 -2.039 0.674 1.00 . A A . 3 VAL C 1 1 19 8424 1 1 4 VAL CA C -12.269 -3.133 -0.377 1.00 . A A . 3 VAL CA 1 1 19 8425 1 1 4 VAL CB C -11.703 -2.629 -1.717 1.00 . A A . 3 VAL CB 1 1 19 8426 1 1 4 VAL CG1 C -11.485 -3.789 -2.675 1.00 . A A . 3 VAL CG1 1 1 19 8427 1 1 4 VAL CG2 C -12.630 -1.588 -2.328 1.00 . A A . 3 VAL CG2 1 1 19 8428 1 1 4 VAL H H -14.342 -2.857 -0.700 1.00 . A A . 3 VAL H 1 1 19 8429 1 1 4 VAL HA H -11.698 -3.998 -0.071 1.00 . A A . 3 VAL HA 1 1 19 8430 1 1 4 VAL HB H -10.747 -2.162 -1.528 1.00 . A A . 3 VAL HB 1 1 19 8431 1 1 4 VAL HG11 H -11.897 -4.692 -2.247 1.00 . A A . 3 VAL HG11 1 1 19 8432 1 1 4 VAL HG12 H -11.975 -3.578 -3.615 1.00 . A A . 3 VAL HG12 1 1 19 8433 1 1 4 VAL HG13 H -10.426 -3.922 -2.844 1.00 . A A . 3 VAL HG13 1 1 19 8434 1 1 4 VAL HG21 H -12.045 -0.764 -2.707 1.00 . A A . 3 VAL HG21 1 1 19 8435 1 1 4 VAL HG22 H -13.188 -2.035 -3.138 1.00 . A A . 3 VAL HG22 1 1 19 8436 1 1 4 VAL HG23 H -13.314 -1.228 -1.575 1.00 . A A . 3 VAL HG23 1 1 19 8437 1 1 4 VAL N N -13.664 -3.537 -0.507 1.00 . A A . 3 VAL N 1 1 19 8438 1 1 4 VAL O O -11.439 -1.034 0.440 1.00 . A A . 3 VAL O 1 1 19 8439 1 1 5 ILE C C -11.755 -1.779 4.041 1.00 . A A . 4 ILE C 1 1 19 8440 1 1 5 ILE CA C -12.656 -1.276 2.918 1.00 . A A . 4 ILE CA 1 1 19 8441 1 1 5 ILE CB C -14.050 -0.967 3.493 1.00 . A A . 4 ILE CB 1 1 19 8442 1 1 5 ILE CD1 C -15.567 -1.072 1.452 1.00 . A A . 4 ILE CD1 1 1 19 8443 1 1 5 ILE CG1 C -14.886 -0.190 2.474 1.00 . A A . 4 ILE CG1 1 1 19 8444 1 1 5 ILE CG2 C -13.926 -0.184 4.792 1.00 . A A . 4 ILE CG2 1 1 19 8445 1 1 5 ILE H H -13.249 -3.065 1.957 1.00 . A A . 4 ILE H 1 1 19 8446 1 1 5 ILE HA H -12.241 -0.360 2.522 1.00 . A A . 4 ILE HA 1 1 19 8447 1 1 5 ILE HB H -14.542 -1.903 3.711 1.00 . A A . 4 ILE HB 1 1 19 8448 1 1 5 ILE HD11 H -15.094 -2.044 1.442 1.00 . A A . 4 ILE HD11 1 1 19 8449 1 1 5 ILE HD12 H -16.609 -1.181 1.706 1.00 . A A . 4 ILE HD12 1 1 19 8450 1 1 5 ILE HD13 H -15.480 -0.622 0.473 1.00 . A A . 4 ILE HD13 1 1 19 8451 1 1 5 ILE HG12 H -15.650 0.366 2.993 1.00 . A A . 4 ILE HG12 1 1 19 8452 1 1 5 ILE HG13 H -14.243 0.499 1.943 1.00 . A A . 4 ILE HG13 1 1 19 8453 1 1 5 ILE HG21 H -14.647 0.621 4.797 1.00 . A A . 4 ILE HG21 1 1 19 8454 1 1 5 ILE HG22 H -14.116 -0.841 5.627 1.00 . A A . 4 ILE HG22 1 1 19 8455 1 1 5 ILE HG23 H -12.930 0.224 4.873 1.00 . A A . 4 ILE HG23 1 1 19 8456 1 1 5 ILE N N -12.730 -2.244 1.831 1.00 . A A . 4 ILE N 1 1 19 8457 1 1 5 ILE O O -12.229 -2.131 5.121 1.00 . A A . 4 ILE O 1 1 19 8458 1 1 6 GLY C C -8.203 -1.492 4.744 1.00 . A A . 5 GLY C 1 1 19 8459 1 1 6 GLY CA C -9.505 -2.268 4.779 1.00 . A A . 5 GLY CA 1 1 19 8460 1 1 6 GLY H H -10.131 -1.516 2.901 1.00 . A A . 5 GLY H 1 1 19 8461 1 1 6 GLY HA2 H -9.949 -2.161 5.757 1.00 . A A . 5 GLY HA2 1 1 19 8462 1 1 6 GLY HA3 H -9.293 -3.313 4.604 1.00 . A A . 5 GLY HA3 1 1 19 8463 1 1 6 GLY N N -10.452 -1.808 3.780 1.00 . A A . 5 GLY N 1 1 19 8464 1 1 6 GLY O O -8.170 -0.338 4.318 1.00 . A A . 5 GLY O 1 1 19 8465 1 1 7 THR C C -4.752 -2.434 5.766 1.00 . A A . 6 THR C 1 1 19 8466 1 1 7 THR CA C -5.815 -1.490 5.215 1.00 . A A . 6 THR CA 1 1 19 8467 1 1 7 THR CB C -5.831 -0.203 6.060 1.00 . A A . 6 THR CB 1 1 19 8468 1 1 7 THR CG2 C -6.118 1.012 5.191 1.00 . A A . 6 THR CG2 1 1 19 8469 1 1 7 THR H H -7.215 -3.048 5.520 1.00 . A A . 6 THR H 1 1 19 8470 1 1 7 THR HA H -5.556 -1.226 4.200 1.00 . A A . 6 THR HA 1 1 19 8471 1 1 7 THR HB H -4.859 -0.078 6.517 1.00 . A A . 6 THR HB 1 1 19 8472 1 1 7 THR HG1 H -6.662 -1.097 7.608 1.00 . A A . 6 THR HG1 1 1 19 8473 1 1 7 THR HG21 H -5.296 1.708 5.261 1.00 . A A . 6 THR HG21 1 1 19 8474 1 1 7 THR HG22 H -7.026 1.490 5.530 1.00 . A A . 6 THR HG22 1 1 19 8475 1 1 7 THR HG23 H -6.239 0.699 4.165 1.00 . A A . 6 THR HG23 1 1 19 8476 1 1 7 THR N N -7.125 -2.128 5.194 1.00 . A A . 6 THR N 1 1 19 8477 1 1 7 THR O O -5.037 -3.269 6.625 1.00 . A A . 6 THR O 1 1 19 8478 1 1 7 THR OG1 O -6.821 -0.305 7.090 1.00 . A A . 6 THR OG1 1 1 19 8479 1 1 8 TRP C C -1.286 -2.289 6.272 1.00 . A A . 7 TRP C 1 1 19 8480 1 1 8 TRP CA C -2.424 -3.136 5.713 1.00 . A A . 7 TRP CA 1 1 19 8481 1 1 8 TRP CB C -1.914 -3.998 4.557 1.00 . A A . 7 TRP CB 1 1 19 8482 1 1 8 TRP CD1 C -2.625 -2.717 2.453 1.00 . A A . 7 TRP CD1 1 1 19 8483 1 1 8 TRP CD2 C -0.408 -2.859 2.739 1.00 . A A . 7 TRP CD2 1 1 19 8484 1 1 8 TRP CE2 C -0.663 -2.138 1.556 1.00 . A A . 7 TRP CE2 1 1 19 8485 1 1 8 TRP CE3 C 0.918 -3.074 3.124 1.00 . A A . 7 TRP CE3 1 1 19 8486 1 1 8 TRP CG C -1.677 -3.220 3.297 1.00 . A A . 7 TRP CG 1 1 19 8487 1 1 8 TRP CH2 C 1.648 -1.857 1.158 1.00 . A A . 7 TRP CH2 1 1 19 8488 1 1 8 TRP CZ2 C 0.358 -1.632 0.758 1.00 . A A . 7 TRP CZ2 1 1 19 8489 1 1 8 TRP CZ3 C 1.932 -2.572 2.330 1.00 . A A . 7 TRP CZ3 1 1 19 8490 1 1 8 TRP H H -3.365 -1.611 4.586 1.00 . A A . 7 TRP H 1 1 19 8491 1 1 8 TRP HA H -2.793 -3.783 6.495 1.00 . A A . 7 TRP HA 1 1 19 8492 1 1 8 TRP HB2 H -0.981 -4.460 4.844 1.00 . A A . 7 TRP HB2 1 1 19 8493 1 1 8 TRP HB3 H -2.641 -4.766 4.342 1.00 . A A . 7 TRP HB3 1 1 19 8494 1 1 8 TRP HD1 H -3.689 -2.825 2.601 1.00 . A A . 7 TRP HD1 1 1 19 8495 1 1 8 TRP HE1 H -2.491 -1.619 0.667 1.00 . A A . 7 TRP HE1 1 1 19 8496 1 1 8 TRP HE3 H 1.157 -3.622 4.023 1.00 . A A . 7 TRP HE3 1 1 19 8497 1 1 8 TRP HH2 H 2.470 -1.484 0.569 1.00 . A A . 7 TRP HH2 1 1 19 8498 1 1 8 TRP HZ2 H 0.156 -1.079 -0.147 1.00 . A A . 7 TRP HZ2 1 1 19 8499 1 1 8 TRP HZ3 H 2.962 -2.728 2.611 1.00 . A A . 7 TRP HZ3 1 1 19 8500 1 1 8 TRP N N -3.529 -2.295 5.269 1.00 . A A . 7 TRP N 1 1 19 8501 1 1 8 TRP NE1 N -2.024 -2.065 1.404 1.00 . A A . 7 TRP NE1 1 1 19 8502 1 1 8 TRP O O -0.911 -1.274 5.687 1.00 . A A . 7 TRP O 1 1 19 8503 1 1 9 ASP C C 1.701 -2.599 7.657 1.00 . A A . 8 ASP C 1 1 19 8504 1 1 9 ASP CA C 0.355 -1.993 8.045 1.00 . A A . 8 ASP CA 1 1 19 8505 1 1 9 ASP CB C 0.192 -2.014 9.565 1.00 . A A . 8 ASP CB 1 1 19 8506 1 1 9 ASP CG C -1.218 -1.663 10.001 1.00 . A A . 8 ASP CG 1 1 19 8507 1 1 9 ASP H H -1.084 -3.530 7.826 1.00 . A A . 8 ASP H 1 1 19 8508 1 1 9 ASP HA H 0.324 -0.970 7.703 1.00 . A A . 8 ASP HA 1 1 19 8509 1 1 9 ASP HB2 H 0.426 -3.002 9.933 1.00 . A A . 8 ASP HB2 1 1 19 8510 1 1 9 ASP HB3 H 0.873 -1.301 10.004 1.00 . A A . 8 ASP HB3 1 1 19 8511 1 1 9 ASP N N -0.741 -2.713 7.407 1.00 . A A . 8 ASP N 1 1 19 8512 1 1 9 ASP O O 1.832 -3.817 7.531 1.00 . A A . 8 ASP O 1 1 19 8513 1 1 9 ASP OD1 O -2.169 -2.292 9.493 1.00 . A A . 8 ASP OD1 1 1 19 8514 1 1 9 ASP OD2 O -1.369 -0.758 10.849 1.00 . A A . 8 ASP OD2 1 1 19 8515 1 1 10 CYS C C 4.681 -2.979 8.230 1.00 . A A . 9 CYS C 1 1 19 8516 1 1 10 CYS CA C 4.034 -2.190 7.094 1.00 . A A . 9 CYS CA 1 1 19 8517 1 1 10 CYS CB C 4.911 -0.993 6.725 1.00 . A A . 9 CYS CB 1 1 19 8518 1 1 10 CYS H H 2.532 -0.781 7.584 1.00 . A A . 9 CYS H 1 1 19 8519 1 1 10 CYS HA H 3.938 -2.834 6.234 1.00 . A A . 9 CYS HA 1 1 19 8520 1 1 10 CYS HB2 H 4.302 -0.246 6.235 1.00 . A A . 9 CYS HB2 1 1 19 8521 1 1 10 CYS HB3 H 5.332 -0.572 7.626 1.00 . A A . 9 CYS HB3 1 1 19 8522 1 1 10 CYS N N 2.697 -1.741 7.469 1.00 . A A . 9 CYS N 1 1 19 8523 1 1 10 CYS O O 4.156 -3.029 9.342 1.00 . A A . 9 CYS O 1 1 19 8524 1 1 10 CYS SG S 6.290 -1.399 5.606 1.00 . A A . 9 CYS SG 1 1 19 8525 1 1 11 ASP C C 8.010 -3.958 9.001 1.00 . A A . 10 ASP C 1 1 19 8526 1 1 11 ASP CA C 6.543 -4.376 8.936 1.00 . A A . 10 ASP CA 1 1 19 8527 1 1 11 ASP CB C 6.439 -5.867 8.614 1.00 . A A . 10 ASP CB 1 1 19 8528 1 1 11 ASP CG C 6.900 -6.741 9.764 1.00 . A A . 10 ASP CG 1 1 19 8529 1 1 11 ASP H H 6.191 -3.513 7.034 1.00 . A A . 10 ASP H 1 1 19 8530 1 1 11 ASP HA H 6.087 -4.192 9.897 1.00 . A A . 10 ASP HA 1 1 19 8531 1 1 11 ASP HB2 H 5.410 -6.110 8.392 1.00 . A A . 10 ASP HB2 1 1 19 8532 1 1 11 ASP HB3 H 7.051 -6.086 7.751 1.00 . A A . 10 ASP HB3 1 1 19 8533 1 1 11 ASP N N 5.823 -3.591 7.939 1.00 . A A . 10 ASP N 1 1 19 8534 1 1 11 ASP O O 8.796 -4.526 9.759 1.00 . A A . 10 ASP O 1 1 19 8535 1 1 11 ASP OD1 O 6.333 -6.616 10.869 1.00 . A A . 10 ASP OD1 1 1 19 8536 1 1 11 ASP OD2 O 7.829 -7.551 9.558 1.00 . A A . 10 ASP OD2 1 1 19 8537 1 1 12 THR C C 9.806 -0.993 8.545 1.00 . A A . 11 THR C 1 1 19 8538 1 1 12 THR CA C 9.742 -2.467 8.165 1.00 . A A . 11 THR CA 1 1 19 8539 1 1 12 THR CB C 10.371 -2.654 6.770 1.00 . A A . 11 THR CB 1 1 19 8540 1 1 12 THR CG2 C 11.602 -1.776 6.609 1.00 . A A . 11 THR CG2 1 1 19 8541 1 1 12 THR H H 7.698 -2.548 7.619 1.00 . A A . 11 THR H 1 1 19 8542 1 1 12 THR HA H 10.321 -3.038 8.876 1.00 . A A . 11 THR HA 1 1 19 8543 1 1 12 THR HB H 9.643 -2.369 6.023 1.00 . A A . 11 THR HB 1 1 19 8544 1 1 12 THR HG1 H 11.637 -4.163 6.848 1.00 . A A . 11 THR HG1 1 1 19 8545 1 1 12 THR HG21 H 12.332 -2.038 7.362 1.00 . A A . 11 THR HG21 1 1 19 8546 1 1 12 THR HG22 H 11.323 -0.740 6.725 1.00 . A A . 11 THR HG22 1 1 19 8547 1 1 12 THR HG23 H 12.026 -1.928 5.629 1.00 . A A . 11 THR HG23 1 1 19 8548 1 1 12 THR N N 8.371 -2.960 8.200 1.00 . A A . 11 THR N 1 1 19 8549 1 1 12 THR O O 10.578 -0.600 9.420 1.00 . A A . 11 THR O 1 1 19 8550 1 1 12 THR OG1 O 10.728 -4.026 6.574 1.00 . A A . 11 THR OG1 1 1 19 8551 1 1 13 CYS C C 7.780 1.606 9.060 1.00 . A A . 12 CYS C 1 1 19 8552 1 1 13 CYS CA C 8.954 1.253 8.151 1.00 . A A . 12 CYS CA 1 1 19 8553 1 1 13 CYS CB C 8.853 2.036 6.840 1.00 . A A . 12 CYS CB 1 1 19 8554 1 1 13 CYS H H 8.398 -0.552 7.195 1.00 . A A . 12 CYS H 1 1 19 8555 1 1 13 CYS HA H 9.873 1.521 8.650 1.00 . A A . 12 CYS HA 1 1 19 8556 1 1 13 CYS HB2 H 9.344 2.991 6.961 1.00 . A A . 12 CYS HB2 1 1 19 8557 1 1 13 CYS HB3 H 9.346 1.479 6.057 1.00 . A A . 12 CYS HB3 1 1 19 8558 1 1 13 CYS N N 8.990 -0.180 7.882 1.00 . A A . 12 CYS N 1 1 19 8559 1 1 13 CYS O O 7.673 2.734 9.542 1.00 . A A . 12 CYS O 1 1 19 8560 1 1 13 CYS SG S 7.143 2.361 6.298 1.00 . A A . 12 CYS SG 1 1 19 8561 1 1 14 LEU C C 4.845 1.949 9.582 1.00 . A A . 13 LEU C 1 1 19 8562 1 1 14 LEU CA C 5.736 0.842 10.139 1.00 . A A . 13 LEU CA 1 1 19 8563 1 1 14 LEU CB C 6.175 1.193 11.562 1.00 . A A . 13 LEU CB 1 1 19 8564 1 1 14 LEU CD1 C 7.850 -0.496 12.351 1.00 . A A . 13 LEU CD1 1 1 19 8565 1 1 14 LEU CD2 C 6.142 0.403 13.941 1.00 . A A . 13 LEU CD2 1 1 19 8566 1 1 14 LEU CG C 6.424 0.010 12.498 1.00 . A A . 13 LEU CG 1 1 19 8567 1 1 14 LEU H H 7.042 -0.242 8.875 1.00 . A A . 13 LEU H 1 1 19 8568 1 1 14 LEU HA H 5.174 -0.079 10.160 1.00 . A A . 13 LEU HA 1 1 19 8569 1 1 14 LEU HB2 H 7.090 1.760 11.496 1.00 . A A . 13 LEU HB2 1 1 19 8570 1 1 14 LEU HB3 H 5.403 1.808 12.003 1.00 . A A . 13 LEU HB3 1 1 19 8571 1 1 14 LEU HD11 H 8.441 -0.160 13.189 1.00 . A A . 13 LEU HD11 1 1 19 8572 1 1 14 LEU HD12 H 8.275 -0.113 11.434 1.00 . A A . 13 LEU HD12 1 1 19 8573 1 1 14 LEU HD13 H 7.847 -1.576 12.322 1.00 . A A . 13 LEU HD13 1 1 19 8574 1 1 14 LEU HD21 H 6.147 -0.481 14.562 1.00 . A A . 13 LEU HD21 1 1 19 8575 1 1 14 LEU HD22 H 5.175 0.879 14.002 1.00 . A A . 13 LEU HD22 1 1 19 8576 1 1 14 LEU HD23 H 6.904 1.087 14.283 1.00 . A A . 13 LEU HD23 1 1 19 8577 1 1 14 LEU HG H 5.755 -0.798 12.234 1.00 . A A . 13 LEU HG 1 1 19 8578 1 1 14 LEU N N 6.903 0.635 9.288 1.00 . A A . 13 LEU N 1 1 19 8579 1 1 14 LEU O O 4.905 3.093 10.032 1.00 . A A . 13 LEU O 1 1 19 8580 1 1 15 VAL C C 1.905 1.862 7.371 1.00 . A A . 14 VAL C 1 1 19 8581 1 1 15 VAL CA C 3.113 2.560 7.986 1.00 . A A . 14 VAL CA 1 1 19 8582 1 1 15 VAL CB C 3.825 3.384 6.898 1.00 . A A . 14 VAL CB 1 1 19 8583 1 1 15 VAL CG1 C 2.827 4.254 6.147 1.00 . A A . 14 VAL CG1 1 1 19 8584 1 1 15 VAL CG2 C 4.930 4.232 7.509 1.00 . A A . 14 VAL CG2 1 1 19 8585 1 1 15 VAL H H 4.017 0.671 8.287 1.00 . A A . 14 VAL H 1 1 19 8586 1 1 15 VAL HA H 2.771 3.238 8.755 1.00 . A A . 14 VAL HA 1 1 19 8587 1 1 15 VAL HB H 4.273 2.700 6.192 1.00 . A A . 14 VAL HB 1 1 19 8588 1 1 15 VAL HG11 H 3.331 5.128 5.761 1.00 . A A . 14 VAL HG11 1 1 19 8589 1 1 15 VAL HG12 H 2.402 3.691 5.330 1.00 . A A . 14 VAL HG12 1 1 19 8590 1 1 15 VAL HG13 H 2.041 4.562 6.821 1.00 . A A . 14 VAL HG13 1 1 19 8591 1 1 15 VAL HG21 H 4.501 4.928 8.213 1.00 . A A . 14 VAL HG21 1 1 19 8592 1 1 15 VAL HG22 H 5.635 3.591 8.019 1.00 . A A . 14 VAL HG22 1 1 19 8593 1 1 15 VAL HG23 H 5.440 4.777 6.729 1.00 . A A . 14 VAL HG23 1 1 19 8594 1 1 15 VAL N N 4.019 1.599 8.603 1.00 . A A . 14 VAL N 1 1 19 8595 1 1 15 VAL O O 2.042 0.836 6.705 1.00 . A A . 14 VAL O 1 1 19 8596 1 1 16 GLN C C -0.745 2.314 5.632 1.00 . A A . 15 GLN C 1 1 19 8597 1 1 16 GLN CA C -0.510 1.857 7.068 1.00 . A A . 15 GLN CA 1 1 19 8598 1 1 16 GLN CB C -1.699 2.252 7.944 1.00 . A A . 15 GLN CB 1 1 19 8599 1 1 16 GLN CD C -3.228 1.619 9.852 1.00 . A A . 15 GLN CD 1 1 19 8600 1 1 16 GLN CG C -1.971 1.277 9.078 1.00 . A A . 15 GLN CG 1 1 19 8601 1 1 16 GLN H H 0.678 3.243 8.138 1.00 . A A . 15 GLN H 1 1 19 8602 1 1 16 GLN HA H -0.410 0.781 7.077 1.00 . A A . 15 GLN HA 1 1 19 8603 1 1 16 GLN HB2 H -1.508 3.225 8.373 1.00 . A A . 15 GLN HB2 1 1 19 8604 1 1 16 GLN HB3 H -2.584 2.308 7.327 1.00 . A A . 15 GLN HB3 1 1 19 8605 1 1 16 GLN HE21 H -2.282 3.100 10.783 1.00 . A A . 15 GLN HE21 1 1 19 8606 1 1 16 GLN HE22 H -3.939 2.877 11.218 1.00 . A A . 15 GLN HE22 1 1 19 8607 1 1 16 GLN HG2 H -2.080 0.285 8.665 1.00 . A A . 15 GLN HG2 1 1 19 8608 1 1 16 GLN HG3 H -1.131 1.292 9.757 1.00 . A A . 15 GLN HG3 1 1 19 8609 1 1 16 GLN N N 0.723 2.425 7.600 1.00 . A A . 15 GLN N 1 1 19 8610 1 1 16 GLN NE2 N -3.141 2.634 10.705 1.00 . A A . 15 GLN NE2 1 1 19 8611 1 1 16 GLN O O -0.409 3.440 5.266 1.00 . A A . 15 GLN O 1 1 19 8612 1 1 16 GLN OE1 O -4.267 0.978 9.688 1.00 . A A . 15 GLN OE1 1 1 19 8613 1 1 17 ASN C C -2.921 1.114 2.980 1.00 . A A . 16 ASN C 1 1 19 8614 1 1 17 ASN CA C -1.606 1.746 3.427 1.00 . A A . 16 ASN CA 1 1 19 8615 1 1 17 ASN CB C -0.463 1.258 2.534 1.00 . A A . 16 ASN CB 1 1 19 8616 1 1 17 ASN CG C 0.875 1.270 3.248 1.00 . A A . 16 ASN CG 1 1 19 8617 1 1 17 ASN H H -1.570 0.551 5.173 1.00 . A A . 16 ASN H 1 1 19 8618 1 1 17 ASN HA H -1.686 2.820 3.338 1.00 . A A . 16 ASN HA 1 1 19 8619 1 1 17 ASN HB2 H -0.670 0.247 2.215 1.00 . A A . 16 ASN HB2 1 1 19 8620 1 1 17 ASN HB3 H -0.393 1.898 1.666 1.00 . A A . 16 ASN HB3 1 1 19 8621 1 1 17 ASN HD21 H 0.264 -0.178 4.467 1.00 . A A . 16 ASN HD21 1 1 19 8622 1 1 17 ASN HD22 H 1.874 0.396 4.728 1.00 . A A . 16 ASN HD22 1 1 19 8623 1 1 17 ASN N N -1.326 1.433 4.823 1.00 . A A . 16 ASN N 1 1 19 8624 1 1 17 ASN ND2 N 1.019 0.409 4.248 1.00 . A A . 16 ASN ND2 1 1 19 8625 1 1 17 ASN O O -3.323 0.069 3.488 1.00 . A A . 16 ASN O 1 1 19 8626 1 1 17 ASN OD1 O 1.768 2.044 2.903 1.00 . A A . 16 ASN OD1 1 1 19 8627 1 1 18 LYS C C -4.660 -0.065 0.774 1.00 . A A . 17 LYS C 1 1 19 8628 1 1 18 LYS CA C -4.854 1.259 1.509 1.00 . A A . 17 LYS CA 1 1 19 8629 1 1 18 LYS CB C -5.485 2.288 0.568 1.00 . A A . 17 LYS CB 1 1 19 8630 1 1 18 LYS CD C -5.731 3.101 -1.796 1.00 . A A . 17 LYS CD 1 1 19 8631 1 1 18 LYS CE C -5.038 3.259 -3.140 1.00 . A A . 17 LYS CE 1 1 19 8632 1 1 18 LYS CG C -4.900 2.270 -0.834 1.00 . A A . 17 LYS CG 1 1 19 8633 1 1 18 LYS H H -3.213 2.588 1.661 1.00 . A A . 17 LYS H 1 1 19 8634 1 1 18 LYS HA H -5.514 1.097 2.348 1.00 . A A . 17 LYS HA 1 1 19 8635 1 1 18 LYS HB2 H -6.544 2.092 0.497 1.00 . A A . 17 LYS HB2 1 1 19 8636 1 1 18 LYS HB3 H -5.337 3.274 0.983 1.00 . A A . 17 LYS HB3 1 1 19 8637 1 1 18 LYS HD2 H -6.684 2.615 -1.949 1.00 . A A . 17 LYS HD2 1 1 19 8638 1 1 18 LYS HD3 H -5.890 4.080 -1.366 1.00 . A A . 17 LYS HD3 1 1 19 8639 1 1 18 LYS HE2 H -4.607 2.310 -3.421 1.00 . A A . 17 LYS HE2 1 1 19 8640 1 1 18 LYS HE3 H -5.771 3.552 -3.877 1.00 . A A . 17 LYS HE3 1 1 19 8641 1 1 18 LYS HG2 H -3.898 2.670 -0.801 1.00 . A A . 17 LYS HG2 1 1 19 8642 1 1 18 LYS HG3 H -4.871 1.248 -1.188 1.00 . A A . 17 LYS HG3 1 1 19 8643 1 1 18 LYS HZ1 H -3.097 3.918 -3.542 1.00 . A A . 17 LYS HZ1 1 1 19 8644 1 1 18 LYS HZ2 H -3.744 4.530 -2.104 1.00 . A A . 17 LYS HZ2 1 1 19 8645 1 1 18 LYS HZ3 H -4.262 5.144 -3.593 1.00 . A A . 17 LYS HZ3 1 1 19 8646 1 1 18 LYS N N -3.586 1.757 2.026 1.00 . A A . 17 LYS N 1 1 19 8647 1 1 18 LYS NZ N -3.960 4.285 -3.091 1.00 . A A . 17 LYS NZ 1 1 19 8648 1 1 18 LYS O O -3.628 -0.309 0.149 1.00 . A A . 17 LYS O 1 1 19 8649 1 1 19 PRO C C -5.715 -2.144 -1.322 1.00 . A A . 18 PRO C 1 1 19 8650 1 1 19 PRO CA C -5.639 -2.250 0.197 1.00 . A A . 18 PRO CA 1 1 19 8651 1 1 19 PRO CB C -6.883 -2.954 0.746 1.00 . A A . 18 PRO CB 1 1 19 8652 1 1 19 PRO CD C -6.935 -0.713 1.578 1.00 . A A . 18 PRO CD 1 1 19 8653 1 1 19 PRO CG C -7.809 -1.848 1.122 1.00 . A A . 18 PRO CG 1 1 19 8654 1 1 19 PRO HA H -4.757 -2.808 0.474 1.00 . A A . 18 PRO HA 1 1 19 8655 1 1 19 PRO HB2 H -7.311 -3.585 -0.020 1.00 . A A . 18 PRO HB2 1 1 19 8656 1 1 19 PRO HB3 H -6.615 -3.551 1.605 1.00 . A A . 18 PRO HB3 1 1 19 8657 1 1 19 PRO HD2 H -7.374 0.235 1.305 1.00 . A A . 18 PRO HD2 1 1 19 8658 1 1 19 PRO HD3 H -6.777 -0.764 2.646 1.00 . A A . 18 PRO HD3 1 1 19 8659 1 1 19 PRO HG2 H -8.392 -1.550 0.263 1.00 . A A . 18 PRO HG2 1 1 19 8660 1 1 19 PRO HG3 H -8.456 -2.168 1.924 1.00 . A A . 18 PRO HG3 1 1 19 8661 1 1 19 PRO N N -5.674 -0.939 0.850 1.00 . A A . 18 PRO N 1 1 19 8662 1 1 19 PRO O O -5.523 -3.130 -2.032 1.00 . A A . 18 PRO O 1 1 19 8663 1 1 20 GLU C C -4.730 -0.373 -3.843 1.00 . A A . 19 GLU C 1 1 19 8664 1 1 20 GLU CA C -6.095 -0.707 -3.249 1.00 . A A . 19 GLU CA 1 1 19 8665 1 1 20 GLU CB C -7.081 0.427 -3.536 1.00 . A A . 19 GLU CB 1 1 19 8666 1 1 20 GLU CD C -9.231 1.583 -2.887 1.00 . A A . 19 GLU CD 1 1 19 8667 1 1 20 GLU CG C -8.208 0.526 -2.521 1.00 . A A . 19 GLU CG 1 1 19 8668 1 1 20 GLU H H -6.137 -0.194 -1.196 1.00 . A A . 19 GLU H 1 1 19 8669 1 1 20 GLU HA H -6.462 -1.614 -3.708 1.00 . A A . 19 GLU HA 1 1 19 8670 1 1 20 GLU HB2 H -6.543 1.363 -3.538 1.00 . A A . 19 GLU HB2 1 1 19 8671 1 1 20 GLU HB3 H -7.516 0.271 -4.511 1.00 . A A . 19 GLU HB3 1 1 19 8672 1 1 20 GLU HG2 H -8.706 -0.430 -2.461 1.00 . A A . 19 GLU HG2 1 1 19 8673 1 1 20 GLU HG3 H -7.786 0.772 -1.557 1.00 . A A . 19 GLU HG3 1 1 19 8674 1 1 20 GLU N N -5.995 -0.941 -1.813 1.00 . A A . 19 GLU N 1 1 19 8675 1 1 20 GLU O O -4.581 -0.266 -5.060 1.00 . A A . 19 GLU O 1 1 19 8676 1 1 20 GLU OE1 O -9.077 2.214 -3.954 1.00 . A A . 19 GLU OE1 1 1 19 8677 1 1 20 GLU OE2 O -10.187 1.780 -2.107 1.00 . A A . 19 GLU OE2 1 1 19 8678 1 1 21 ALA C C -1.592 -1.154 -3.718 1.00 . A A . 20 ALA C 1 1 19 8679 1 1 21 ALA CA C -2.386 0.113 -3.413 1.00 . A A . 20 ALA CA 1 1 19 8680 1 1 21 ALA CB C -1.672 0.942 -2.356 1.00 . A A . 20 ALA CB 1 1 19 8681 1 1 21 ALA H H -3.920 -0.308 -2.017 1.00 . A A . 20 ALA H 1 1 19 8682 1 1 21 ALA HA H -2.458 0.705 -4.312 1.00 . A A . 20 ALA HA 1 1 19 8683 1 1 21 ALA HB1 H -2.201 1.873 -2.213 1.00 . A A . 20 ALA HB1 1 1 19 8684 1 1 21 ALA HB2 H -1.647 0.395 -1.425 1.00 . A A . 20 ALA HB2 1 1 19 8685 1 1 21 ALA HB3 H -0.662 1.147 -2.680 1.00 . A A . 20 ALA HB3 1 1 19 8686 1 1 21 ALA N N -3.738 -0.209 -2.975 1.00 . A A . 20 ALA N 1 1 19 8687 1 1 21 ALA O O -2.045 -2.264 -3.435 1.00 . A A . 20 ALA O 1 1 19 8688 1 1 22 ILE C C 1.712 -2.118 -3.792 1.00 . A A . 21 ILE C 1 1 19 8689 1 1 22 ILE CA C 0.446 -2.109 -4.641 1.00 . A A . 21 ILE CA 1 1 19 8690 1 1 22 ILE CB C 0.840 -2.085 -6.129 1.00 . A A . 21 ILE CB 1 1 19 8691 1 1 22 ILE CD1 C 1.859 -4.411 -5.954 1.00 . A A . 21 ILE CD1 1 1 19 8692 1 1 22 ILE CG1 C 2.063 -2.972 -6.370 1.00 . A A . 21 ILE CG1 1 1 19 8693 1 1 22 ILE CG2 C 1.115 -0.658 -6.581 1.00 . A A . 21 ILE CG2 1 1 19 8694 1 1 22 ILE H H -0.104 -0.071 -4.498 1.00 . A A . 21 ILE H 1 1 19 8695 1 1 22 ILE HA H -0.109 -3.017 -4.451 1.00 . A A . 21 ILE HA 1 1 19 8696 1 1 22 ILE HB H 0.010 -2.465 -6.705 1.00 . A A . 21 ILE HB 1 1 19 8697 1 1 22 ILE HD11 H 2.775 -4.800 -5.535 1.00 . A A . 21 ILE HD11 1 1 19 8698 1 1 22 ILE HD12 H 1.073 -4.465 -5.216 1.00 . A A . 21 ILE HD12 1 1 19 8699 1 1 22 ILE HD13 H 1.580 -4.998 -6.818 1.00 . A A . 21 ILE HD13 1 1 19 8700 1 1 22 ILE HG12 H 2.306 -2.962 -7.421 1.00 . A A . 21 ILE HG12 1 1 19 8701 1 1 22 ILE HG13 H 2.899 -2.578 -5.809 1.00 . A A . 21 ILE HG13 1 1 19 8702 1 1 22 ILE HG21 H 1.806 -0.671 -7.412 1.00 . A A . 21 ILE HG21 1 1 19 8703 1 1 22 ILE HG22 H 0.191 -0.193 -6.889 1.00 . A A . 21 ILE HG22 1 1 19 8704 1 1 22 ILE HG23 H 1.546 -0.099 -5.764 1.00 . A A . 21 ILE HG23 1 1 19 8705 1 1 22 ILE N N -0.410 -0.980 -4.297 1.00 . A A . 21 ILE N 1 1 19 8706 1 1 22 ILE O O 2.421 -3.123 -3.723 1.00 . A A . 21 ILE O 1 1 19 8707 1 1 23 LYS C C 2.924 0.124 -1.163 1.00 . A A . 22 LYS C 1 1 19 8708 1 1 23 LYS CA C 3.169 -0.870 -2.294 1.00 . A A . 22 LYS CA 1 1 19 8709 1 1 23 LYS CB C 4.376 -0.427 -3.123 1.00 . A A . 22 LYS CB 1 1 19 8710 1 1 23 LYS CD C 5.282 1.122 -4.881 1.00 . A A . 22 LYS CD 1 1 19 8711 1 1 23 LYS CE C 5.255 0.213 -6.101 1.00 . A A . 22 LYS CE 1 1 19 8712 1 1 23 LYS CG C 4.125 0.829 -3.941 1.00 . A A . 22 LYS CG 1 1 19 8713 1 1 23 LYS H H 1.387 -0.225 -3.236 1.00 . A A . 22 LYS H 1 1 19 8714 1 1 23 LYS HA H 3.373 -1.840 -1.866 1.00 . A A . 22 LYS HA 1 1 19 8715 1 1 23 LYS HB2 H 5.206 -0.238 -2.457 1.00 . A A . 22 LYS HB2 1 1 19 8716 1 1 23 LYS HB3 H 4.645 -1.225 -3.801 1.00 . A A . 22 LYS HB3 1 1 19 8717 1 1 23 LYS HD2 H 5.216 2.149 -5.210 1.00 . A A . 22 LYS HD2 1 1 19 8718 1 1 23 LYS HD3 H 6.213 0.971 -4.351 1.00 . A A . 22 LYS HD3 1 1 19 8719 1 1 23 LYS HE2 H 6.265 0.070 -6.449 1.00 . A A . 22 LYS HE2 1 1 19 8720 1 1 23 LYS HE3 H 4.834 -0.739 -5.813 1.00 . A A . 22 LYS HE3 1 1 19 8721 1 1 23 LYS HG2 H 3.226 0.693 -4.525 1.00 . A A . 22 LYS HG2 1 1 19 8722 1 1 23 LYS HG3 H 3.998 1.665 -3.269 1.00 . A A . 22 LYS HG3 1 1 19 8723 1 1 23 LYS HZ1 H 4.643 1.806 -7.306 1.00 . A A . 22 LYS HZ1 1 1 19 8724 1 1 23 LYS HZ2 H 3.425 0.672 -6.999 1.00 . A A . 22 LYS HZ2 1 1 19 8725 1 1 23 LYS HZ3 H 4.658 0.312 -8.100 1.00 . A A . 22 LYS HZ3 1 1 19 8726 1 1 23 LYS N N 1.990 -0.993 -3.142 1.00 . A A . 22 LYS N 1 1 19 8727 1 1 23 LYS NZ N 4.438 0.791 -7.204 1.00 . A A . 22 LYS NZ 1 1 19 8728 1 1 23 LYS O O 1.841 0.697 -1.051 1.00 . A A . 22 LYS O 1 1 19 8729 1 1 24 CYS C C 3.853 2.696 0.310 1.00 . A A . 23 CYS C 1 1 19 8730 1 1 24 CYS CA C 3.834 1.250 0.794 1.00 . A A . 23 CYS CA 1 1 19 8731 1 1 24 CYS CB C 4.978 1.017 1.783 1.00 . A A . 23 CYS CB 1 1 19 8732 1 1 24 CYS H H 4.778 -0.162 -0.469 1.00 . A A . 23 CYS H 1 1 19 8733 1 1 24 CYS HA H 2.895 1.063 1.293 1.00 . A A . 23 CYS HA 1 1 19 8734 1 1 24 CYS HB2 H 5.266 -0.024 1.750 1.00 . A A . 23 CYS HB2 1 1 19 8735 1 1 24 CYS HB3 H 5.822 1.627 1.496 1.00 . A A . 23 CYS HB3 1 1 19 8736 1 1 24 CYS N N 3.938 0.324 -0.327 1.00 . A A . 23 CYS N 1 1 19 8737 1 1 24 CYS O O 4.331 2.990 -0.786 1.00 . A A . 23 CYS O 1 1 19 8738 1 1 24 CYS SG S 4.563 1.420 3.510 1.00 . A A . 23 CYS SG 1 1 19 8739 1 1 25 VAL C C 4.291 5.810 1.616 1.00 . A A . 24 VAL C 1 1 19 8740 1 1 25 VAL CA C 3.285 5.014 0.791 1.00 . A A . 24 VAL CA 1 1 19 8741 1 1 25 VAL CB C 1.879 5.602 1.010 1.00 . A A . 24 VAL CB 1 1 19 8742 1 1 25 VAL CG1 C 1.642 5.888 2.485 1.00 . A A . 24 VAL CG1 1 1 19 8743 1 1 25 VAL CG2 C 1.694 6.863 0.178 1.00 . A A . 24 VAL CG2 1 1 19 8744 1 1 25 VAL H H 2.961 3.303 1.994 1.00 . A A . 24 VAL H 1 1 19 8745 1 1 25 VAL HA H 3.535 5.112 -0.256 1.00 . A A . 24 VAL HA 1 1 19 8746 1 1 25 VAL HB H 1.151 4.873 0.686 1.00 . A A . 24 VAL HB 1 1 19 8747 1 1 25 VAL HG11 H 2.160 5.151 3.081 1.00 . A A . 24 VAL HG11 1 1 19 8748 1 1 25 VAL HG12 H 2.013 6.873 2.726 1.00 . A A . 24 VAL HG12 1 1 19 8749 1 1 25 VAL HG13 H 0.583 5.840 2.695 1.00 . A A . 24 VAL HG13 1 1 19 8750 1 1 25 VAL HG21 H 2.579 7.035 -0.416 1.00 . A A . 24 VAL HG21 1 1 19 8751 1 1 25 VAL HG22 H 0.841 6.743 -0.474 1.00 . A A . 24 VAL HG22 1 1 19 8752 1 1 25 VAL HG23 H 1.529 7.706 0.833 1.00 . A A . 24 VAL HG23 1 1 19 8753 1 1 25 VAL N N 3.327 3.598 1.134 1.00 . A A . 24 VAL N 1 1 19 8754 1 1 25 VAL O O 4.181 7.029 1.739 1.00 . A A . 24 VAL O 1 1 19 8755 1 1 26 ALA C C 7.682 5.205 2.659 1.00 . A A . 25 ALA C 1 1 19 8756 1 1 26 ALA CA C 6.297 5.753 2.990 1.00 . A A . 25 ALA CA 1 1 19 8757 1 1 26 ALA CB C 5.995 5.565 4.470 1.00 . A A . 25 ALA CB 1 1 19 8758 1 1 26 ALA H H 5.305 4.141 2.044 1.00 . A A . 25 ALA H 1 1 19 8759 1 1 26 ALA HA H 6.280 6.811 2.776 1.00 . A A . 25 ALA HA 1 1 19 8760 1 1 26 ALA HB1 H 5.499 4.617 4.618 1.00 . A A . 25 ALA HB1 1 1 19 8761 1 1 26 ALA HB2 H 6.918 5.580 5.031 1.00 . A A . 25 ALA HB2 1 1 19 8762 1 1 26 ALA HB3 H 5.353 6.364 4.810 1.00 . A A . 25 ALA HB3 1 1 19 8763 1 1 26 ALA N N 5.271 5.111 2.180 1.00 . A A . 25 ALA N 1 1 19 8764 1 1 26 ALA O O 8.658 5.952 2.600 1.00 . A A . 25 ALA O 1 1 19 8765 1 1 27 CYS C C 8.971 2.621 0.725 1.00 . A A . 26 CYS C 1 1 19 8766 1 1 27 CYS CA C 9.023 3.247 2.115 1.00 . A A . 26 CYS CA 1 1 19 8767 1 1 27 CYS CB C 9.353 2.177 3.157 1.00 . A A . 26 CYS CB 1 1 19 8768 1 1 27 CYS H H 6.944 3.353 2.502 1.00 . A A . 26 CYS H 1 1 19 8769 1 1 27 CYS HA H 9.795 4.001 2.129 1.00 . A A . 26 CYS HA 1 1 19 8770 1 1 27 CYS HB2 H 10.396 1.911 3.070 1.00 . A A . 26 CYS HB2 1 1 19 8771 1 1 27 CYS HB3 H 9.170 2.577 4.144 1.00 . A A . 26 CYS HB3 1 1 19 8772 1 1 27 CYS N N 7.758 3.896 2.441 1.00 . A A . 26 CYS N 1 1 19 8773 1 1 27 CYS O O 9.997 2.225 0.174 1.00 . A A . 26 CYS O 1 1 19 8774 1 1 27 CYS SG S 8.378 0.648 2.988 1.00 . A A . 26 CYS SG 1 1 19 8775 1 1 28 GLU C C 7.796 0.447 -1.130 1.00 . A A . 27 GLU C 1 1 19 8776 1 1 28 GLU CA C 7.583 1.957 -1.160 1.00 . A A . 27 GLU CA 1 1 19 8777 1 1 28 GLU CB C 8.546 2.600 -2.160 1.00 . A A . 27 GLU CB 1 1 19 8778 1 1 28 GLU CD C 10.057 4.610 -2.390 1.00 . A A . 27 GLU CD 1 1 19 8779 1 1 28 GLU CG C 8.685 4.103 -1.993 1.00 . A A . 27 GLU CG 1 1 19 8780 1 1 28 GLU H H 6.987 2.869 0.655 1.00 . A A . 27 GLU H 1 1 19 8781 1 1 28 GLU HA H 6.569 2.159 -1.472 1.00 . A A . 27 GLU HA 1 1 19 8782 1 1 28 GLU HB2 H 9.521 2.153 -2.040 1.00 . A A . 27 GLU HB2 1 1 19 8783 1 1 28 GLU HB3 H 8.191 2.402 -3.162 1.00 . A A . 27 GLU HB3 1 1 19 8784 1 1 28 GLU HG2 H 7.946 4.592 -2.611 1.00 . A A . 27 GLU HG2 1 1 19 8785 1 1 28 GLU HG3 H 8.511 4.355 -0.957 1.00 . A A . 27 GLU HG3 1 1 19 8786 1 1 28 GLU N N 7.768 2.536 0.165 1.00 . A A . 27 GLU N 1 1 19 8787 1 1 28 GLU O O 8.340 -0.135 -2.070 1.00 . A A . 27 GLU O 1 1 19 8788 1 1 28 GLU OE1 O 11.041 3.865 -2.203 1.00 . A A . 27 GLU OE1 1 1 19 8789 1 1 28 GLU OE2 O 10.147 5.752 -2.889 1.00 . A A . 27 GLU OE2 1 1 19 8790 1 1 29 THR C C 6.518 -2.376 -0.768 1.00 . A A . 28 THR C 1 1 19 8791 1 1 29 THR CA C 7.509 -1.625 0.114 1.00 . A A . 28 THR CA 1 1 19 8792 1 1 29 THR CB C 7.304 -2.056 1.578 1.00 . A A . 28 THR CB 1 1 19 8793 1 1 29 THR CG2 C 6.410 -3.283 1.662 1.00 . A A . 28 THR CG2 1 1 19 8794 1 1 29 THR H H 6.939 0.335 0.673 1.00 . A A . 28 THR H 1 1 19 8795 1 1 29 THR HA H 8.513 -1.894 -0.181 1.00 . A A . 28 THR HA 1 1 19 8796 1 1 29 THR HB H 6.829 -1.246 2.113 1.00 . A A . 28 THR HB 1 1 19 8797 1 1 29 THR HG1 H 8.782 -3.268 2.068 1.00 . A A . 28 THR HG1 1 1 19 8798 1 1 29 THR HG21 H 6.423 -3.671 2.670 1.00 . A A . 28 THR HG21 1 1 19 8799 1 1 29 THR HG22 H 6.772 -4.040 0.981 1.00 . A A . 28 THR HG22 1 1 19 8800 1 1 29 THR HG23 H 5.400 -3.011 1.394 1.00 . A A . 28 THR HG23 1 1 19 8801 1 1 29 THR N N 7.364 -0.184 -0.042 1.00 . A A . 28 THR N 1 1 19 8802 1 1 29 THR O O 5.391 -1.934 -0.991 1.00 . A A . 28 THR O 1 1 19 8803 1 1 29 THR OG1 O 8.570 -2.339 2.187 1.00 . A A . 28 THR OG1 1 1 19 8804 1 1 30 PRO C C 4.952 -5.022 -1.386 1.00 . A A . 29 PRO C 1 1 19 8805 1 1 30 PRO CA C 6.106 -4.377 -2.146 1.00 . A A . 29 PRO CA 1 1 19 8806 1 1 30 PRO CB C 7.078 -5.447 -2.650 1.00 . A A . 29 PRO CB 1 1 19 8807 1 1 30 PRO CD C 8.275 -4.128 -1.056 1.00 . A A . 29 PRO CD 1 1 19 8808 1 1 30 PRO CG C 8.137 -5.521 -1.605 1.00 . A A . 29 PRO CG 1 1 19 8809 1 1 30 PRO HA H 5.717 -3.818 -2.983 1.00 . A A . 29 PRO HA 1 1 19 8810 1 1 30 PRO HB2 H 6.558 -6.389 -2.754 1.00 . A A . 29 PRO HB2 1 1 19 8811 1 1 30 PRO HB3 H 7.485 -5.147 -3.604 1.00 . A A . 29 PRO HB3 1 1 19 8812 1 1 30 PRO HD2 H 8.508 -4.160 -0.002 1.00 . A A . 29 PRO HD2 1 1 19 8813 1 1 30 PRO HD3 H 9.033 -3.582 -1.597 1.00 . A A . 29 PRO HD3 1 1 19 8814 1 1 30 PRO HG2 H 7.836 -6.204 -0.826 1.00 . A A . 29 PRO HG2 1 1 19 8815 1 1 30 PRO HG3 H 9.068 -5.842 -2.049 1.00 . A A . 29 PRO HG3 1 1 19 8816 1 1 30 PRO N N 6.943 -3.540 -1.281 1.00 . A A . 29 PRO N 1 1 19 8817 1 1 30 PRO O O 5.155 -5.932 -0.582 1.00 . A A . 29 PRO O 1 1 19 8818 1 1 31 LYS C C 2.597 -6.599 -0.928 1.00 . A A . 30 LYS C 1 1 19 8819 1 1 31 LYS CA C 2.551 -5.075 -0.990 1.00 . A A . 30 LYS CA 1 1 19 8820 1 1 31 LYS CB C 1.289 -4.621 -1.728 1.00 . A A . 30 LYS CB 1 1 19 8821 1 1 31 LYS CD C -1.064 -5.287 -2.303 1.00 . A A . 30 LYS CD 1 1 19 8822 1 1 31 LYS CE C -2.398 -4.832 -1.732 1.00 . A A . 30 LYS CE 1 1 19 8823 1 1 31 LYS CG C 0.021 -5.300 -1.239 1.00 . A A . 30 LYS CG 1 1 19 8824 1 1 31 LYS H H 3.641 -3.818 -2.298 1.00 . A A . 30 LYS H 1 1 19 8825 1 1 31 LYS HA H 2.527 -4.688 0.018 1.00 . A A . 30 LYS HA 1 1 19 8826 1 1 31 LYS HB2 H 1.174 -3.555 -1.599 1.00 . A A . 30 LYS HB2 1 1 19 8827 1 1 31 LYS HB3 H 1.406 -4.838 -2.780 1.00 . A A . 30 LYS HB3 1 1 19 8828 1 1 31 LYS HD2 H -0.774 -4.609 -3.092 1.00 . A A . 30 LYS HD2 1 1 19 8829 1 1 31 LYS HD3 H -1.175 -6.284 -2.704 1.00 . A A . 30 LYS HD3 1 1 19 8830 1 1 31 LYS HE2 H -2.811 -5.631 -1.135 1.00 . A A . 30 LYS HE2 1 1 19 8831 1 1 31 LYS HE3 H -2.232 -3.966 -1.108 1.00 . A A . 30 LYS HE3 1 1 19 8832 1 1 31 LYS HG2 H 0.247 -6.325 -0.983 1.00 . A A . 30 LYS HG2 1 1 19 8833 1 1 31 LYS HG3 H -0.340 -4.779 -0.363 1.00 . A A . 30 LYS HG3 1 1 19 8834 1 1 31 LYS HZ1 H -3.603 -3.466 -2.755 1.00 . A A . 30 LYS HZ1 1 1 19 8835 1 1 31 LYS HZ2 H -4.243 -5.029 -2.691 1.00 . A A . 30 LYS HZ2 1 1 19 8836 1 1 31 LYS HZ3 H -2.960 -4.684 -3.738 1.00 . A A . 30 LYS HZ3 1 1 19 8837 1 1 31 LYS N N 3.739 -4.545 -1.646 1.00 . A A . 30 LYS N 1 1 19 8838 1 1 31 LYS NZ N -3.369 -4.478 -2.804 1.00 . A A . 30 LYS NZ 1 1 19 8839 1 1 31 LYS O O 3.060 -7.267 -1.853 1.00 . A A . 30 LYS O 1 1 19 8840 1 1 32 PRO C C 1.073 -9.310 -0.523 1.00 . A A . 31 PRO C 1 1 19 8841 1 1 32 PRO CA C 2.076 -8.613 0.392 1.00 . A A . 31 PRO CA 1 1 19 8842 1 1 32 PRO CB C 1.653 -8.756 1.855 1.00 . A A . 31 PRO CB 1 1 19 8843 1 1 32 PRO CD C 1.536 -6.427 1.327 1.00 . A A . 31 PRO CD 1 1 19 8844 1 1 32 PRO CG C 0.895 -7.507 2.153 1.00 . A A . 31 PRO CG 1 1 19 8845 1 1 32 PRO HA H 3.053 -9.053 0.253 1.00 . A A . 31 PRO HA 1 1 19 8846 1 1 32 PRO HB2 H 1.032 -9.632 1.970 1.00 . A A . 31 PRO HB2 1 1 19 8847 1 1 32 PRO HB3 H 2.529 -8.843 2.480 1.00 . A A . 31 PRO HB3 1 1 19 8848 1 1 32 PRO HD2 H 0.794 -5.715 0.997 1.00 . A A . 31 PRO HD2 1 1 19 8849 1 1 32 PRO HD3 H 2.313 -5.931 1.890 1.00 . A A . 31 PRO HD3 1 1 19 8850 1 1 32 PRO HG2 H -0.140 -7.630 1.872 1.00 . A A . 31 PRO HG2 1 1 19 8851 1 1 32 PRO HG3 H 0.975 -7.272 3.205 1.00 . A A . 31 PRO HG3 1 1 19 8852 1 1 32 PRO N N 2.104 -7.162 0.184 1.00 . A A . 31 PRO N 1 1 19 8853 1 1 32 PRO O O 1.124 -10.533 -0.650 1.00 . A A . 31 PRO O 1 1 19 8854 2 2 1 ZN ZN ZN 6.603 0.762 4.597 1.00 . B A . 32 ZN ZN 1 1 20 8855 1 1 2 HIS C C -18.790 3.657 4.936 1.00 . A A . 1 HIS C 1 1 20 8856 1 1 2 HIS CA C -20.037 3.925 5.772 1.00 . A A . 1 HIS CA 1 1 20 8857 1 1 2 HIS CB C -20.246 2.790 6.776 1.00 . A A . 1 HIS CB 1 1 20 8858 1 1 2 HIS CD2 C -18.243 2.553 8.406 1.00 . A A . 1 HIS CD2 1 1 20 8859 1 1 2 HIS CE1 C -19.088 3.642 10.112 1.00 . A A . 1 HIS CE1 1 1 20 8860 1 1 2 HIS CG C -19.481 2.969 8.051 1.00 . A A . 1 HIS CG 1 1 20 8861 1 1 2 HIS H H -21.147 3.832 3.973 1.00 . A A . 1 HIS H 1 1 20 8862 1 1 2 HIS HA H -19.902 4.850 6.312 1.00 . A A . 1 HIS HA 1 1 20 8863 1 1 2 HIS HB2 H -21.294 2.726 7.024 1.00 . A A . 1 HIS HB2 1 1 20 8864 1 1 2 HIS HB3 H -19.930 1.859 6.326 1.00 . A A . 1 HIS HB3 1 1 20 8865 1 1 2 HIS HD1 H -20.865 4.071 9.195 1.00 . A A . 1 HIS HD1 1 1 20 8866 1 1 2 HIS HD2 H -17.555 1.987 7.794 1.00 . A A . 1 HIS HD2 1 1 20 8867 1 1 2 HIS HE1 H -19.205 4.097 11.083 1.00 . A A . 1 HIS HE1 1 1 20 8868 1 1 2 HIS N N -21.212 4.070 4.921 1.00 . A A . 1 HIS N 1 1 20 8869 1 1 2 HIS ND1 N -19.984 3.647 9.141 1.00 . A A . 1 HIS ND1 1 1 20 8870 1 1 2 HIS NE2 N -18.023 2.983 9.692 1.00 . A A . 1 HIS NE2 1 1 20 8871 1 1 2 HIS O O -18.867 3.068 3.859 1.00 . A A . 1 HIS O 1 1 20 8872 1 1 3 MET C C -15.785 2.534 5.050 1.00 . A A . 2 MET C 1 1 20 8873 1 1 3 MET CA C -16.376 3.905 4.738 1.00 . A A . 2 MET CA 1 1 20 8874 1 1 3 MET CB C -15.382 5.002 5.124 1.00 . A A . 2 MET CB 1 1 20 8875 1 1 3 MET CE C -11.742 6.178 3.525 1.00 . A A . 2 MET CE 1 1 20 8876 1 1 3 MET CG C -14.266 5.194 4.110 1.00 . A A . 2 MET CG 1 1 20 8877 1 1 3 MET H H -17.642 4.561 6.302 1.00 . A A . 2 MET H 1 1 20 8878 1 1 3 MET HA H -16.573 3.966 3.678 1.00 . A A . 2 MET HA 1 1 20 8879 1 1 3 MET HB2 H -15.915 5.936 5.222 1.00 . A A . 2 MET HB2 1 1 20 8880 1 1 3 MET HB3 H -14.937 4.751 6.075 1.00 . A A . 2 MET HB3 1 1 20 8881 1 1 3 MET HE1 H -11.187 7.083 3.328 1.00 . A A . 2 MET HE1 1 1 20 8882 1 1 3 MET HE2 H -11.111 5.475 4.048 1.00 . A A . 2 MET HE2 1 1 20 8883 1 1 3 MET HE3 H -12.068 5.745 2.591 1.00 . A A . 2 MET HE3 1 1 20 8884 1 1 3 MET HG2 H -13.682 4.288 4.061 1.00 . A A . 2 MET HG2 1 1 20 8885 1 1 3 MET HG3 H -14.706 5.390 3.144 1.00 . A A . 2 MET HG3 1 1 20 8886 1 1 3 MET N N -17.640 4.097 5.439 1.00 . A A . 2 MET N 1 1 20 8887 1 1 3 MET O O -16.145 1.904 6.044 1.00 . A A . 2 MET O 1 1 20 8888 1 1 3 MET SD S -13.171 6.563 4.535 1.00 . A A . 2 MET SD 1 1 20 8889 1 1 4 VAL C C -12.899 0.929 5.105 1.00 . A A . 3 VAL C 1 1 20 8890 1 1 4 VAL CA C -14.232 0.783 4.380 1.00 . A A . 3 VAL CA 1 1 20 8891 1 1 4 VAL CB C -13.996 0.076 3.032 1.00 . A A . 3 VAL CB 1 1 20 8892 1 1 4 VAL CG1 C -12.689 0.540 2.407 1.00 . A A . 3 VAL CG1 1 1 20 8893 1 1 4 VAL CG2 C -14.003 -1.434 3.215 1.00 . A A . 3 VAL CG2 1 1 20 8894 1 1 4 VAL H H -14.629 2.628 3.421 1.00 . A A . 3 VAL H 1 1 20 8895 1 1 4 VAL HA H -14.890 0.166 4.975 1.00 . A A . 3 VAL HA 1 1 20 8896 1 1 4 VAL HB H -14.802 0.341 2.363 1.00 . A A . 3 VAL HB 1 1 20 8897 1 1 4 VAL HG11 H -12.711 0.349 1.344 1.00 . A A . 3 VAL HG11 1 1 20 8898 1 1 4 VAL HG12 H -12.561 1.599 2.582 1.00 . A A . 3 VAL HG12 1 1 20 8899 1 1 4 VAL HG13 H -11.866 0.000 2.852 1.00 . A A . 3 VAL HG13 1 1 20 8900 1 1 4 VAL HG21 H -12.994 -1.779 3.391 1.00 . A A . 3 VAL HG21 1 1 20 8901 1 1 4 VAL HG22 H -14.625 -1.693 4.060 1.00 . A A . 3 VAL HG22 1 1 20 8902 1 1 4 VAL HG23 H -14.394 -1.903 2.324 1.00 . A A . 3 VAL HG23 1 1 20 8903 1 1 4 VAL N N -14.875 2.079 4.194 1.00 . A A . 3 VAL N 1 1 20 8904 1 1 4 VAL O O -12.215 1.944 4.969 1.00 . A A . 3 VAL O 1 1 20 8905 1 1 5 ILE C C -10.562 -1.416 6.510 1.00 . A A . 4 ILE C 1 1 20 8906 1 1 5 ILE CA C -11.284 -0.076 6.622 1.00 . A A . 4 ILE CA 1 1 20 8907 1 1 5 ILE CB C -11.518 0.245 8.109 1.00 . A A . 4 ILE CB 1 1 20 8908 1 1 5 ILE CD1 C -11.492 2.782 7.907 1.00 . A A . 4 ILE CD1 1 1 20 8909 1 1 5 ILE CG1 C -12.301 1.552 8.254 1.00 . A A . 4 ILE CG1 1 1 20 8910 1 1 5 ILE CG2 C -10.191 0.331 8.847 1.00 . A A . 4 ILE CG2 1 1 20 8911 1 1 5 ILE H H -13.124 -0.871 5.943 1.00 . A A . 4 ILE H 1 1 20 8912 1 1 5 ILE HA H -10.655 0.695 6.201 1.00 . A A . 4 ILE HA 1 1 20 8913 1 1 5 ILE HB H -12.092 -0.560 8.543 1.00 . A A . 4 ILE HB 1 1 20 8914 1 1 5 ILE HD11 H -12.153 3.562 7.559 1.00 . A A . 4 ILE HD11 1 1 20 8915 1 1 5 ILE HD12 H -10.960 3.123 8.782 1.00 . A A . 4 ILE HD12 1 1 20 8916 1 1 5 ILE HD13 H -10.783 2.538 7.127 1.00 . A A . 4 ILE HD13 1 1 20 8917 1 1 5 ILE HG12 H -13.159 1.525 7.600 1.00 . A A . 4 ILE HG12 1 1 20 8918 1 1 5 ILE HG13 H -12.635 1.651 9.276 1.00 . A A . 4 ILE HG13 1 1 20 8919 1 1 5 ILE HG21 H -10.374 0.479 9.901 1.00 . A A . 4 ILE HG21 1 1 20 8920 1 1 5 ILE HG22 H -9.640 -0.586 8.705 1.00 . A A . 4 ILE HG22 1 1 20 8921 1 1 5 ILE HG23 H -9.617 1.160 8.462 1.00 . A A . 4 ILE HG23 1 1 20 8922 1 1 5 ILE N N -12.536 -0.091 5.875 1.00 . A A . 4 ILE N 1 1 20 8923 1 1 5 ILE O O -10.898 -2.373 7.205 1.00 . A A . 4 ILE O 1 1 20 8924 1 1 6 GLY C C -7.334 -2.444 5.233 1.00 . A A . 5 GLY C 1 1 20 8925 1 1 6 GLY CA C -8.814 -2.699 5.442 1.00 . A A . 5 GLY CA 1 1 20 8926 1 1 6 GLY H H -9.345 -0.679 5.101 1.00 . A A . 5 GLY H 1 1 20 8927 1 1 6 GLY HA2 H -8.940 -3.324 6.315 1.00 . A A . 5 GLY HA2 1 1 20 8928 1 1 6 GLY HA3 H -9.203 -3.221 4.580 1.00 . A A . 5 GLY HA3 1 1 20 8929 1 1 6 GLY N N -9.568 -1.474 5.629 1.00 . A A . 5 GLY N 1 1 20 8930 1 1 6 GLY O O -6.562 -3.373 4.996 1.00 . A A . 5 GLY O 1 1 20 8931 1 1 7 THR C C -4.607 -1.811 5.790 1.00 . A A . 6 THR C 1 1 20 8932 1 1 7 THR CA C -5.541 -0.801 5.133 1.00 . A A . 6 THR CA 1 1 20 8933 1 1 7 THR CB C -5.255 0.597 5.712 1.00 . A A . 6 THR CB 1 1 20 8934 1 1 7 THR CG2 C -6.082 1.657 4.999 1.00 . A A . 6 THR CG2 1 1 20 8935 1 1 7 THR H H -7.599 -0.482 5.509 1.00 . A A . 6 THR H 1 1 20 8936 1 1 7 THR HA H -5.340 -0.777 4.072 1.00 . A A . 6 THR HA 1 1 20 8937 1 1 7 THR HB H -4.208 0.822 5.568 1.00 . A A . 6 THR HB 1 1 20 8938 1 1 7 THR HG1 H -5.406 1.503 7.457 1.00 . A A . 6 THR HG1 1 1 20 8939 1 1 7 THR HG21 H -5.424 2.363 4.515 1.00 . A A . 6 THR HG21 1 1 20 8940 1 1 7 THR HG22 H -6.700 2.175 5.718 1.00 . A A . 6 THR HG22 1 1 20 8941 1 1 7 THR HG23 H -6.711 1.185 4.259 1.00 . A A . 6 THR HG23 1 1 20 8942 1 1 7 THR N N -6.937 -1.178 5.318 1.00 . A A . 6 THR N 1 1 20 8943 1 1 7 THR O O -4.940 -2.401 6.818 1.00 . A A . 6 THR O 1 1 20 8944 1 1 7 THR OG1 O -5.549 0.617 7.113 1.00 . A A . 6 THR OG1 1 1 20 8945 1 1 8 TRP C C -1.282 -2.206 6.354 1.00 . A A . 7 TRP C 1 1 20 8946 1 1 8 TRP CA C -2.455 -2.944 5.720 1.00 . A A . 7 TRP CA 1 1 20 8947 1 1 8 TRP CB C -1.953 -3.868 4.609 1.00 . A A . 7 TRP CB 1 1 20 8948 1 1 8 TRP CD1 C -2.633 -2.685 2.440 1.00 . A A . 7 TRP CD1 1 1 20 8949 1 1 8 TRP CD2 C -0.420 -2.834 2.751 1.00 . A A . 7 TRP CD2 1 1 20 8950 1 1 8 TRP CE2 C -0.659 -2.169 1.533 1.00 . A A . 7 TRP CE2 1 1 20 8951 1 1 8 TRP CE3 C 0.900 -3.043 3.157 1.00 . A A . 7 TRP CE3 1 1 20 8952 1 1 8 TRP CG C -1.697 -3.155 3.316 1.00 . A A . 7 TRP CG 1 1 20 8953 1 1 8 TRP CH2 C 1.658 -1.930 1.142 1.00 . A A . 7 TRP CH2 1 1 20 8954 1 1 8 TRP CZ2 C 0.375 -1.713 0.719 1.00 . A A . 7 TRP CZ2 1 1 20 8955 1 1 8 TRP CZ3 C 1.925 -2.590 2.349 1.00 . A A . 7 TRP CZ3 1 1 20 8956 1 1 8 TRP H H -3.229 -1.505 4.374 1.00 . A A . 7 TRP H 1 1 20 8957 1 1 8 TRP HA H -2.942 -3.540 6.477 1.00 . A A . 7 TRP HA 1 1 20 8958 1 1 8 TRP HB2 H -1.028 -4.329 4.923 1.00 . A A . 7 TRP HB2 1 1 20 8959 1 1 8 TRP HB3 H -2.690 -4.635 4.428 1.00 . A A . 7 TRP HB3 1 1 20 8960 1 1 8 TRP HD1 H -3.699 -2.776 2.583 1.00 . A A . 7 TRP HD1 1 1 20 8961 1 1 8 TRP HE1 H -2.474 -1.677 0.604 1.00 . A A . 7 TRP HE1 1 1 20 8962 1 1 8 TRP HE3 H 1.126 -3.548 4.085 1.00 . A A . 7 TRP HE3 1 1 20 8963 1 1 8 TRP HH2 H 2.490 -1.594 0.542 1.00 . A A . 7 TRP HH2 1 1 20 8964 1 1 8 TRP HZ2 H 0.185 -1.203 -0.214 1.00 . A A . 7 TRP HZ2 1 1 20 8965 1 1 8 TRP HZ3 H 2.952 -2.742 2.646 1.00 . A A . 7 TRP HZ3 1 1 20 8966 1 1 8 TRP N N -3.438 -2.005 5.191 1.00 . A A . 7 TRP N 1 1 20 8967 1 1 8 TRP NE1 N -2.017 -2.091 1.365 1.00 . A A . 7 TRP NE1 1 1 20 8968 1 1 8 TRP O O -0.868 -1.151 5.873 1.00 . A A . 7 TRP O 1 1 20 8969 1 1 9 ASP C C 1.700 -2.700 7.603 1.00 . A A . 8 ASP C 1 1 20 8970 1 1 9 ASP CA C 0.376 -2.159 8.135 1.00 . A A . 8 ASP CA 1 1 20 8971 1 1 9 ASP CB C 0.271 -2.420 9.638 1.00 . A A . 8 ASP CB 1 1 20 8972 1 1 9 ASP CG C -1.122 -2.163 10.174 1.00 . A A . 8 ASP CG 1 1 20 8973 1 1 9 ASP H H -1.125 -3.606 7.771 1.00 . A A . 8 ASP H 1 1 20 8974 1 1 9 ASP HA H 0.341 -1.094 7.960 1.00 . A A . 8 ASP HA 1 1 20 8975 1 1 9 ASP HB2 H 0.529 -3.450 9.836 1.00 . A A . 8 ASP HB2 1 1 20 8976 1 1 9 ASP HB3 H 0.964 -1.774 10.157 1.00 . A A . 8 ASP HB3 1 1 20 8977 1 1 9 ASP N N -0.751 -2.765 7.435 1.00 . A A . 8 ASP N 1 1 20 8978 1 1 9 ASP O O 1.799 -3.867 7.225 1.00 . A A . 8 ASP O 1 1 20 8979 1 1 9 ASP OD1 O -2.094 -2.660 9.567 1.00 . A A . 8 ASP OD1 1 1 20 8980 1 1 9 ASP OD2 O -1.242 -1.465 11.202 1.00 . A A . 8 ASP OD2 1 1 20 8981 1 1 10 CYS C C 4.778 -3.053 8.135 1.00 . A A . 9 CYS C 1 1 20 8982 1 1 10 CYS CA C 4.032 -2.232 7.087 1.00 . A A . 9 CYS CA 1 1 20 8983 1 1 10 CYS CB C 4.850 -0.993 6.717 1.00 . A A . 9 CYS CB 1 1 20 8984 1 1 10 CYS H H 2.573 -0.924 7.888 1.00 . A A . 9 CYS H 1 1 20 8985 1 1 10 CYS HA H 3.894 -2.838 6.204 1.00 . A A . 9 CYS HA 1 1 20 8986 1 1 10 CYS HB2 H 4.213 -0.295 6.195 1.00 . A A . 9 CYS HB2 1 1 20 8987 1 1 10 CYS HB3 H 5.217 -0.529 7.622 1.00 . A A . 9 CYS HB3 1 1 20 8988 1 1 10 CYS N N 2.715 -1.842 7.575 1.00 . A A . 9 CYS N 1 1 20 8989 1 1 10 CYS O O 4.399 -3.076 9.306 1.00 . A A . 9 CYS O 1 1 20 8990 1 1 10 CYS SG S 6.285 -1.339 5.650 1.00 . A A . 9 CYS SG 1 1 20 8991 1 1 11 ASP C C 8.071 -4.020 8.695 1.00 . A A . 10 ASP C 1 1 20 8992 1 1 11 ASP CA C 6.642 -4.546 8.606 1.00 . A A . 10 ASP CA 1 1 20 8993 1 1 11 ASP CB C 6.649 -6.001 8.133 1.00 . A A . 10 ASP CB 1 1 20 8994 1 1 11 ASP CG C 7.493 -6.894 9.022 1.00 . A A . 10 ASP CG 1 1 20 8995 1 1 11 ASP H H 6.094 -3.667 6.760 1.00 . A A . 10 ASP H 1 1 20 8996 1 1 11 ASP HA H 6.192 -4.499 9.586 1.00 . A A . 10 ASP HA 1 1 20 8997 1 1 11 ASP HB2 H 5.637 -6.377 8.133 1.00 . A A . 10 ASP HB2 1 1 20 8998 1 1 11 ASP HB3 H 7.046 -6.044 7.129 1.00 . A A . 10 ASP HB3 1 1 20 8999 1 1 11 ASP N N 5.841 -3.725 7.705 1.00 . A A . 10 ASP N 1 1 20 9000 1 1 11 ASP O O 8.897 -4.554 9.437 1.00 . A A . 10 ASP O 1 1 20 9001 1 1 11 ASP OD1 O 7.580 -6.612 10.235 1.00 . A A . 10 ASP OD1 1 1 20 9002 1 1 11 ASP OD2 O 8.065 -7.876 8.503 1.00 . A A . 10 ASP OD2 1 1 20 9003 1 1 12 THR C C 9.646 -0.932 8.424 1.00 . A A . 11 THR C 1 1 20 9004 1 1 12 THR CA C 9.687 -2.371 7.924 1.00 . A A . 11 THR CA 1 1 20 9005 1 1 12 THR CB C 10.305 -2.395 6.513 1.00 . A A . 11 THR CB 1 1 20 9006 1 1 12 THR CG2 C 11.206 -1.190 6.296 1.00 . A A . 11 THR CG2 1 1 20 9007 1 1 12 THR H H 7.658 -2.587 7.364 1.00 . A A . 11 THR H 1 1 20 9008 1 1 12 THR HA H 10.318 -2.951 8.581 1.00 . A A . 11 THR HA 1 1 20 9009 1 1 12 THR HB H 9.505 -2.365 5.787 1.00 . A A . 11 THR HB 1 1 20 9010 1 1 12 THR HG1 H 11.277 -3.701 5.400 1.00 . A A . 11 THR HG1 1 1 20 9011 1 1 12 THR HG21 H 11.742 -0.972 7.208 1.00 . A A . 11 THR HG21 1 1 20 9012 1 1 12 THR HG22 H 10.606 -0.337 6.018 1.00 . A A . 11 THR HG22 1 1 20 9013 1 1 12 THR HG23 H 11.911 -1.406 5.508 1.00 . A A . 11 THR HG23 1 1 20 9014 1 1 12 THR N N 8.357 -2.968 7.933 1.00 . A A . 11 THR N 1 1 20 9015 1 1 12 THR O O 10.298 -0.586 9.410 1.00 . A A . 11 THR O 1 1 20 9016 1 1 12 THR OG1 O 11.057 -3.600 6.330 1.00 . A A . 11 THR OG1 1 1 20 9017 1 1 13 CYS C C 7.509 1.534 8.970 1.00 . A A . 12 CYS C 1 1 20 9018 1 1 13 CYS CA C 8.750 1.310 8.112 1.00 . A A . 12 CYS CA 1 1 20 9019 1 1 13 CYS CB C 8.682 2.188 6.860 1.00 . A A . 12 CYS CB 1 1 20 9020 1 1 13 CYS H H 8.381 -0.428 6.960 1.00 . A A . 12 CYS H 1 1 20 9021 1 1 13 CYS HA H 9.623 1.580 8.684 1.00 . A A . 12 CYS HA 1 1 20 9022 1 1 13 CYS HB2 H 9.118 3.151 7.082 1.00 . A A . 12 CYS HB2 1 1 20 9023 1 1 13 CYS HB3 H 9.247 1.718 6.069 1.00 . A A . 12 CYS HB3 1 1 20 9024 1 1 13 CYS N N 8.876 -0.093 7.737 1.00 . A A . 12 CYS N 1 1 20 9025 1 1 13 CYS O O 7.152 2.672 9.280 1.00 . A A . 12 CYS O 1 1 20 9026 1 1 13 CYS SG S 6.993 2.474 6.243 1.00 . A A . 12 CYS SG 1 1 20 9027 1 1 14 LEU C C 4.750 1.658 9.718 1.00 . A A . 13 LEU C 1 1 20 9028 1 1 14 LEU CA C 5.654 0.519 10.177 1.00 . A A . 13 LEU CA 1 1 20 9029 1 1 14 LEU CB C 6.032 0.713 11.646 1.00 . A A . 13 LEU CB 1 1 20 9030 1 1 14 LEU CD1 C 5.853 -1.264 13.176 1.00 . A A . 13 LEU CD1 1 1 20 9031 1 1 14 LEU CD2 C 7.445 -1.318 11.248 1.00 . A A . 13 LEU CD2 1 1 20 9032 1 1 14 LEU CG C 6.789 -0.442 12.304 1.00 . A A . 13 LEU CG 1 1 20 9033 1 1 14 LEU H H 7.188 -0.436 9.075 1.00 . A A . 13 LEU H 1 1 20 9034 1 1 14 LEU HA H 5.120 -0.414 10.072 1.00 . A A . 13 LEU HA 1 1 20 9035 1 1 14 LEU HB2 H 6.651 1.595 11.715 1.00 . A A . 13 LEU HB2 1 1 20 9036 1 1 14 LEU HB3 H 5.120 0.872 12.204 1.00 . A A . 13 LEU HB3 1 1 20 9037 1 1 14 LEU HD11 H 4.836 -0.943 13.015 1.00 . A A . 13 LEU HD11 1 1 20 9038 1 1 14 LEU HD12 H 6.115 -1.126 14.215 1.00 . A A . 13 LEU HD12 1 1 20 9039 1 1 14 LEU HD13 H 5.946 -2.309 12.918 1.00 . A A . 13 LEU HD13 1 1 20 9040 1 1 14 LEU HD21 H 6.700 -1.646 10.538 1.00 . A A . 13 LEU HD21 1 1 20 9041 1 1 14 LEU HD22 H 7.893 -2.179 11.722 1.00 . A A . 13 LEU HD22 1 1 20 9042 1 1 14 LEU HD23 H 8.209 -0.753 10.734 1.00 . A A . 13 LEU HD23 1 1 20 9043 1 1 14 LEU HG H 7.568 -0.039 12.937 1.00 . A A . 13 LEU HG 1 1 20 9044 1 1 14 LEU N N 6.855 0.443 9.353 1.00 . A A . 13 LEU N 1 1 20 9045 1 1 14 LEU O O 4.868 2.789 10.191 1.00 . A A . 13 LEU O 1 1 20 9046 1 1 15 VAL C C 1.721 1.687 7.597 1.00 . A A . 14 VAL C 1 1 20 9047 1 1 15 VAL CA C 2.917 2.349 8.272 1.00 . A A . 14 VAL CA 1 1 20 9048 1 1 15 VAL CB C 3.609 3.285 7.263 1.00 . A A . 14 VAL CB 1 1 20 9049 1 1 15 VAL CG1 C 3.184 2.947 5.842 1.00 . A A . 14 VAL CG1 1 1 20 9050 1 1 15 VAL CG2 C 3.301 4.739 7.588 1.00 . A A . 14 VAL CG2 1 1 20 9051 1 1 15 VAL H H 3.799 0.433 8.455 1.00 . A A . 14 VAL H 1 1 20 9052 1 1 15 VAL HA H 2.567 2.945 9.102 1.00 . A A . 14 VAL HA 1 1 20 9053 1 1 15 VAL HB H 4.676 3.139 7.340 1.00 . A A . 14 VAL HB 1 1 20 9054 1 1 15 VAL HG11 H 2.166 3.269 5.685 1.00 . A A . 14 VAL HG11 1 1 20 9055 1 1 15 VAL HG12 H 3.835 3.448 5.142 1.00 . A A . 14 VAL HG12 1 1 20 9056 1 1 15 VAL HG13 H 3.249 1.879 5.693 1.00 . A A . 14 VAL HG13 1 1 20 9057 1 1 15 VAL HG21 H 2.505 4.783 8.317 1.00 . A A . 14 VAL HG21 1 1 20 9058 1 1 15 VAL HG22 H 4.184 5.214 7.990 1.00 . A A . 14 VAL HG22 1 1 20 9059 1 1 15 VAL HG23 H 2.995 5.252 6.689 1.00 . A A . 14 VAL HG23 1 1 20 9060 1 1 15 VAL N N 3.845 1.352 8.794 1.00 . A A . 14 VAL N 1 1 20 9061 1 1 15 VAL O O 1.864 0.673 6.916 1.00 . A A . 14 VAL O 1 1 20 9062 1 1 16 GLN C C -0.905 2.307 5.805 1.00 . A A . 15 GLN C 1 1 20 9063 1 1 16 GLN CA C -0.679 1.736 7.201 1.00 . A A . 15 GLN CA 1 1 20 9064 1 1 16 GLN CB C -1.881 2.051 8.094 1.00 . A A . 15 GLN CB 1 1 20 9065 1 1 16 GLN CD C -3.308 1.352 10.059 1.00 . A A . 15 GLN CD 1 1 20 9066 1 1 16 GLN CG C -2.084 1.047 9.218 1.00 . A A . 15 GLN CG 1 1 20 9067 1 1 16 GLN H H 0.493 3.077 8.344 1.00 . A A . 15 GLN H 1 1 20 9068 1 1 16 GLN HA H -0.570 0.665 7.125 1.00 . A A . 15 GLN HA 1 1 20 9069 1 1 16 GLN HB2 H -1.743 3.028 8.533 1.00 . A A . 15 GLN HB2 1 1 20 9070 1 1 16 GLN HB3 H -2.773 2.061 7.485 1.00 . A A . 15 GLN HB3 1 1 20 9071 1 1 16 GLN HE21 H -2.609 3.169 10.460 1.00 . A A . 15 GLN HE21 1 1 20 9072 1 1 16 GLN HE22 H -4.134 2.779 11.169 1.00 . A A . 15 GLN HE22 1 1 20 9073 1 1 16 GLN HG2 H -2.198 0.062 8.788 1.00 . A A . 15 GLN HG2 1 1 20 9074 1 1 16 GLN HG3 H -1.213 1.060 9.856 1.00 . A A . 15 GLN HG3 1 1 20 9075 1 1 16 GLN N N 0.542 2.270 7.792 1.00 . A A . 15 GLN N 1 1 20 9076 1 1 16 GLN NE2 N -3.355 2.555 10.620 1.00 . A A . 15 GLN NE2 1 1 20 9077 1 1 16 GLN O O -0.625 3.477 5.550 1.00 . A A . 15 GLN O 1 1 20 9078 1 1 16 GLN OE1 O -4.200 0.516 10.204 1.00 . A A . 15 GLN OE1 1 1 20 9079 1 1 17 ASN C C -2.979 1.295 3.019 1.00 . A A . 16 ASN C 1 1 20 9080 1 1 17 ASN CA C -1.673 1.894 3.533 1.00 . A A . 16 ASN CA 1 1 20 9081 1 1 17 ASN CB C -0.515 1.481 2.621 1.00 . A A . 16 ASN CB 1 1 20 9082 1 1 17 ASN CG C 0.811 1.441 3.353 1.00 . A A . 16 ASN CG 1 1 20 9083 1 1 17 ASN H H -1.613 0.550 5.167 1.00 . A A . 16 ASN H 1 1 20 9084 1 1 17 ASN HA H -1.758 2.970 3.528 1.00 . A A . 16 ASN HA 1 1 20 9085 1 1 17 ASN HB2 H -0.714 0.497 2.220 1.00 . A A . 16 ASN HB2 1 1 20 9086 1 1 17 ASN HB3 H -0.437 2.187 1.808 1.00 . A A . 16 ASN HB3 1 1 20 9087 1 1 17 ASN HD21 H 0.090 0.104 4.637 1.00 . A A . 16 ASN HD21 1 1 20 9088 1 1 17 ASN HD22 H 1.732 0.580 4.891 1.00 . A A . 16 ASN HD22 1 1 20 9089 1 1 17 ASN N N -1.411 1.471 4.905 1.00 . A A . 16 ASN N 1 1 20 9090 1 1 17 ASN ND2 N 0.885 0.626 4.399 1.00 . A A . 16 ASN ND2 1 1 20 9091 1 1 17 ASN O O -3.446 0.272 3.522 1.00 . A A . 16 ASN O 1 1 20 9092 1 1 17 ASN OD1 O 1.759 2.133 2.982 1.00 . A A . 16 ASN OD1 1 1 20 9093 1 1 18 LYS C C -4.628 0.112 0.762 1.00 . A A . 17 LYS C 1 1 20 9094 1 1 18 LYS CA C -4.814 1.470 1.431 1.00 . A A . 17 LYS CA 1 1 20 9095 1 1 18 LYS CB C -5.337 2.486 0.411 1.00 . A A . 17 LYS CB 1 1 20 9096 1 1 18 LYS CD C -5.411 3.113 -2.020 1.00 . A A . 17 LYS CD 1 1 20 9097 1 1 18 LYS CE C -5.326 4.629 -1.925 1.00 . A A . 17 LYS CE 1 1 20 9098 1 1 18 LYS CG C -4.607 2.441 -0.920 1.00 . A A . 17 LYS CG 1 1 20 9099 1 1 18 LYS H H -3.144 2.750 1.658 1.00 . A A . 17 LYS H 1 1 20 9100 1 1 18 LYS HA H -5.536 1.370 2.227 1.00 . A A . 17 LYS HA 1 1 20 9101 1 1 18 LYS HB2 H -6.384 2.290 0.230 1.00 . A A . 17 LYS HB2 1 1 20 9102 1 1 18 LYS HB3 H -5.231 3.479 0.823 1.00 . A A . 17 LYS HB3 1 1 20 9103 1 1 18 LYS HD2 H -5.023 2.802 -2.979 1.00 . A A . 17 LYS HD2 1 1 20 9104 1 1 18 LYS HD3 H -6.445 2.812 -1.933 1.00 . A A . 17 LYS HD3 1 1 20 9105 1 1 18 LYS HE2 H -5.662 5.054 -2.858 1.00 . A A . 17 LYS HE2 1 1 20 9106 1 1 18 LYS HE3 H -5.971 4.962 -1.124 1.00 . A A . 17 LYS HE3 1 1 20 9107 1 1 18 LYS HG2 H -3.660 2.951 -0.817 1.00 . A A . 17 LYS HG2 1 1 20 9108 1 1 18 LYS HG3 H -4.434 1.409 -1.192 1.00 . A A . 17 LYS HG3 1 1 20 9109 1 1 18 LYS HZ1 H -3.255 4.475 -2.139 1.00 . A A . 17 LYS HZ1 1 1 20 9110 1 1 18 LYS HZ2 H -3.745 5.064 -0.632 1.00 . A A . 17 LYS HZ2 1 1 20 9111 1 1 18 LYS HZ3 H -3.813 6.066 -1.992 1.00 . A A . 17 LYS HZ3 1 1 20 9112 1 1 18 LYS N N -3.564 1.939 2.016 1.00 . A A . 17 LYS N 1 1 20 9113 1 1 18 LYS NZ N -3.938 5.091 -1.653 1.00 . A A . 17 LYS NZ 1 1 20 9114 1 1 18 LYS O O -3.596 -0.171 0.153 1.00 . A A . 17 LYS O 1 1 20 9115 1 1 19 PRO C C -5.692 -2.058 -1.236 1.00 . A A . 18 PRO C 1 1 20 9116 1 1 19 PRO CA C -5.621 -2.092 0.287 1.00 . A A . 18 PRO CA 1 1 20 9117 1 1 19 PRO CB C -6.873 -2.759 0.865 1.00 . A A . 18 PRO CB 1 1 20 9118 1 1 19 PRO CD C -6.910 -0.481 1.587 1.00 . A A . 18 PRO CD 1 1 20 9119 1 1 19 PRO CG C -7.792 -1.630 1.182 1.00 . A A . 18 PRO CG 1 1 20 9120 1 1 19 PRO HA H -4.745 -2.642 0.594 1.00 . A A . 18 PRO HA 1 1 20 9121 1 1 19 PRO HB2 H -7.303 -3.423 0.128 1.00 . A A . 18 PRO HB2 1 1 20 9122 1 1 19 PRO HB3 H -6.612 -3.316 1.751 1.00 . A A . 18 PRO HB3 1 1 20 9123 1 1 19 PRO HD2 H -7.341 0.457 1.267 1.00 . A A . 18 PRO HD2 1 1 20 9124 1 1 19 PRO HD3 H -6.756 -0.481 2.656 1.00 . A A . 18 PRO HD3 1 1 20 9125 1 1 19 PRO HG2 H -8.369 -1.369 0.309 1.00 . A A . 18 PRO HG2 1 1 20 9126 1 1 19 PRO HG3 H -8.445 -1.905 1.997 1.00 . A A . 18 PRO HG3 1 1 20 9127 1 1 19 PRO N N -5.649 -0.750 0.876 1.00 . A A . 18 PRO N 1 1 20 9128 1 1 19 PRO O O -5.489 -3.077 -1.898 1.00 . A A . 18 PRO O 1 1 20 9129 1 1 20 GLU C C -4.707 -0.409 -3.835 1.00 . A A . 19 GLU C 1 1 20 9130 1 1 20 GLU CA C -6.073 -0.717 -3.231 1.00 . A A . 19 GLU CA 1 1 20 9131 1 1 20 GLU CB C -7.059 0.401 -3.575 1.00 . A A . 19 GLU CB 1 1 20 9132 1 1 20 GLU CD C -9.427 1.165 -3.139 1.00 . A A . 19 GLU CD 1 1 20 9133 1 1 20 GLU CG C -8.161 0.579 -2.544 1.00 . A A . 19 GLU CG 1 1 20 9134 1 1 20 GLU H H -6.127 -0.107 -1.204 1.00 . A A . 19 GLU H 1 1 20 9135 1 1 20 GLU HA H -6.436 -1.645 -3.647 1.00 . A A . 19 GLU HA 1 1 20 9136 1 1 20 GLU HB2 H -6.516 1.331 -3.656 1.00 . A A . 19 GLU HB2 1 1 20 9137 1 1 20 GLU HB3 H -7.519 0.178 -4.527 1.00 . A A . 19 GLU HB3 1 1 20 9138 1 1 20 GLU HG2 H -8.396 -0.384 -2.116 1.00 . A A . 19 GLU HG2 1 1 20 9139 1 1 20 GLU HG3 H -7.807 1.240 -1.767 1.00 . A A . 19 GLU HG3 1 1 20 9140 1 1 20 GLU N N -5.977 -0.882 -1.785 1.00 . A A . 19 GLU N 1 1 20 9141 1 1 20 GLU O O -4.552 -0.362 -5.056 1.00 . A A . 19 GLU O 1 1 20 9142 1 1 20 GLU OE1 O -9.360 2.283 -3.692 1.00 . A A . 19 GLU OE1 1 1 20 9143 1 1 20 GLU OE2 O -10.484 0.507 -3.051 1.00 . A A . 19 GLU OE2 1 1 20 9144 1 1 21 ALA C C -1.577 -1.176 -3.689 1.00 . A A . 20 ALA C 1 1 20 9145 1 1 21 ALA CA C -2.363 0.102 -3.419 1.00 . A A . 20 ALA CA 1 1 20 9146 1 1 21 ALA CB C -1.646 0.959 -2.388 1.00 . A A . 20 ALA CB 1 1 20 9147 1 1 21 ALA H H -3.903 -0.251 -2.012 1.00 . A A . 20 ALA H 1 1 20 9148 1 1 21 ALA HA H -2.434 0.669 -4.336 1.00 . A A . 20 ALA HA 1 1 20 9149 1 1 21 ALA HB1 H -1.657 0.456 -1.433 1.00 . A A . 20 ALA HB1 1 1 20 9150 1 1 21 ALA HB2 H -0.624 1.118 -2.700 1.00 . A A . 20 ALA HB2 1 1 20 9151 1 1 21 ALA HB3 H -2.147 1.911 -2.299 1.00 . A A . 20 ALA HB3 1 1 20 9152 1 1 21 ALA N N -3.718 -0.200 -2.972 1.00 . A A . 20 ALA N 1 1 20 9153 1 1 21 ALA O O -2.005 -2.269 -3.320 1.00 . A A . 20 ALA O 1 1 20 9154 1 1 22 ILE C C 1.658 -2.208 -3.758 1.00 . A A . 21 ILE C 1 1 20 9155 1 1 22 ILE CA C 0.422 -2.173 -4.652 1.00 . A A . 21 ILE CA 1 1 20 9156 1 1 22 ILE CB C 0.869 -2.151 -6.126 1.00 . A A . 21 ILE CB 1 1 20 9157 1 1 22 ILE CD1 C 0.001 -2.073 -8.518 1.00 . A A . 21 ILE CD1 1 1 20 9158 1 1 22 ILE CG1 C -0.348 -2.200 -7.051 1.00 . A A . 21 ILE CG1 1 1 20 9159 1 1 22 ILE CG2 C 1.806 -3.315 -6.414 1.00 . A A . 21 ILE CG2 1 1 20 9160 1 1 22 ILE H H -0.137 -0.133 -4.602 1.00 . A A . 21 ILE H 1 1 20 9161 1 1 22 ILE HA H -0.155 -3.072 -4.485 1.00 . A A . 21 ILE HA 1 1 20 9162 1 1 22 ILE HB H 1.409 -1.233 -6.301 1.00 . A A . 21 ILE HB 1 1 20 9163 1 1 22 ILE HD11 H 0.112 -3.056 -8.948 1.00 . A A . 21 ILE HD11 1 1 20 9164 1 1 22 ILE HD12 H -0.785 -1.540 -9.031 1.00 . A A . 21 ILE HD12 1 1 20 9165 1 1 22 ILE HD13 H 0.930 -1.529 -8.619 1.00 . A A . 21 ILE HD13 1 1 20 9166 1 1 22 ILE HG12 H -0.860 -3.139 -6.914 1.00 . A A . 21 ILE HG12 1 1 20 9167 1 1 22 ILE HG13 H -1.017 -1.390 -6.797 1.00 . A A . 21 ILE HG13 1 1 20 9168 1 1 22 ILE HG21 H 2.830 -2.987 -6.303 1.00 . A A . 21 ILE HG21 1 1 20 9169 1 1 22 ILE HG22 H 1.609 -4.116 -5.717 1.00 . A A . 21 ILE HG22 1 1 20 9170 1 1 22 ILE HG23 H 1.647 -3.665 -7.422 1.00 . A A . 21 ILE HG23 1 1 20 9171 1 1 22 ILE N N -0.425 -1.031 -4.334 1.00 . A A . 21 ILE N 1 1 20 9172 1 1 22 ILE O O 2.249 -3.265 -3.538 1.00 . A A . 21 ILE O 1 1 20 9173 1 1 23 LYS C C 2.965 0.081 -1.265 1.00 . A A . 22 LYS C 1 1 20 9174 1 1 23 LYS CA C 3.205 -0.940 -2.373 1.00 . A A . 22 LYS CA 1 1 20 9175 1 1 23 LYS CB C 4.443 -0.548 -3.183 1.00 . A A . 22 LYS CB 1 1 20 9176 1 1 23 LYS CD C 5.377 0.879 -5.028 1.00 . A A . 22 LYS CD 1 1 20 9177 1 1 23 LYS CE C 4.984 1.829 -6.148 1.00 . A A . 22 LYS CE 1 1 20 9178 1 1 23 LYS CG C 4.246 0.698 -4.030 1.00 . A A . 22 LYS CG 1 1 20 9179 1 1 23 LYS H H 1.530 -0.236 -3.458 1.00 . A A . 22 LYS H 1 1 20 9180 1 1 23 LYS HA H 3.372 -1.908 -1.924 1.00 . A A . 22 LYS HA 1 1 20 9181 1 1 23 LYS HB2 H 5.262 -0.369 -2.502 1.00 . A A . 22 LYS HB2 1 1 20 9182 1 1 23 LYS HB3 H 4.704 -1.366 -3.839 1.00 . A A . 22 LYS HB3 1 1 20 9183 1 1 23 LYS HD2 H 6.238 1.282 -4.515 1.00 . A A . 22 LYS HD2 1 1 20 9184 1 1 23 LYS HD3 H 5.627 -0.083 -5.454 1.00 . A A . 22 LYS HD3 1 1 20 9185 1 1 23 LYS HE2 H 4.478 2.681 -5.721 1.00 . A A . 22 LYS HE2 1 1 20 9186 1 1 23 LYS HE3 H 5.881 2.160 -6.653 1.00 . A A . 22 LYS HE3 1 1 20 9187 1 1 23 LYS HG2 H 3.315 0.612 -4.569 1.00 . A A . 22 LYS HG2 1 1 20 9188 1 1 23 LYS HG3 H 4.209 1.561 -3.380 1.00 . A A . 22 LYS HG3 1 1 20 9189 1 1 23 LYS HZ1 H 3.091 1.402 -6.921 1.00 . A A . 22 LYS HZ1 1 1 20 9190 1 1 23 LYS HZ2 H 4.207 0.145 -7.109 1.00 . A A . 22 LYS HZ2 1 1 20 9191 1 1 23 LYS HZ3 H 4.303 1.514 -8.098 1.00 . A A . 22 LYS HZ3 1 1 20 9192 1 1 23 LYS N N 2.043 -1.045 -3.246 1.00 . A A . 22 LYS N 1 1 20 9193 1 1 23 LYS NZ N 4.083 1.177 -7.139 1.00 . A A . 22 LYS NZ 1 1 20 9194 1 1 23 LYS O O 1.907 0.707 -1.203 1.00 . A A . 22 LYS O 1 1 20 9195 1 1 24 CYS C C 3.951 2.629 0.208 1.00 . A A . 23 CYS C 1 1 20 9196 1 1 24 CYS CA C 3.851 1.191 0.711 1.00 . A A . 23 CYS CA 1 1 20 9197 1 1 24 CYS CB C 4.949 0.923 1.744 1.00 . A A . 23 CYS CB 1 1 20 9198 1 1 24 CYS H H 4.775 -0.282 -0.495 1.00 . A A . 23 CYS H 1 1 20 9199 1 1 24 CYS HA H 2.888 1.053 1.178 1.00 . A A . 23 CYS HA 1 1 20 9200 1 1 24 CYS HB2 H 5.197 -0.128 1.729 1.00 . A A . 23 CYS HB2 1 1 20 9201 1 1 24 CYS HB3 H 5.825 1.498 1.483 1.00 . A A . 23 CYS HB3 1 1 20 9202 1 1 24 CYS N N 3.954 0.245 -0.394 1.00 . A A . 23 CYS N 1 1 20 9203 1 1 24 CYS O O 4.611 2.902 -0.796 1.00 . A A . 23 CYS O 1 1 20 9204 1 1 24 CYS SG S 4.485 1.358 3.450 1.00 . A A . 23 CYS SG 1 1 20 9205 1 1 25 VAL C C 4.251 5.748 1.434 1.00 . A A . 24 VAL C 1 1 20 9206 1 1 25 VAL CA C 3.308 4.953 0.539 1.00 . A A . 24 VAL CA 1 1 20 9207 1 1 25 VAL CB C 1.899 5.570 0.620 1.00 . A A . 24 VAL CB 1 1 20 9208 1 1 25 VAL CG1 C 1.405 5.587 2.058 1.00 . A A . 24 VAL CG1 1 1 20 9209 1 1 25 VAL CG2 C 1.897 6.972 0.029 1.00 . A A . 24 VAL CG2 1 1 20 9210 1 1 25 VAL H H 2.784 3.264 1.702 1.00 . A A . 24 VAL H 1 1 20 9211 1 1 25 VAL HA H 3.651 5.023 -0.483 1.00 . A A . 24 VAL HA 1 1 20 9212 1 1 25 VAL HB H 1.225 4.957 0.039 1.00 . A A . 24 VAL HB 1 1 20 9213 1 1 25 VAL HG11 H 0.810 4.706 2.245 1.00 . A A . 24 VAL HG11 1 1 20 9214 1 1 25 VAL HG12 H 2.252 5.601 2.730 1.00 . A A . 24 VAL HG12 1 1 20 9215 1 1 25 VAL HG13 H 0.802 6.470 2.221 1.00 . A A . 24 VAL HG13 1 1 20 9216 1 1 25 VAL HG21 H 1.028 7.096 -0.601 1.00 . A A . 24 VAL HG21 1 1 20 9217 1 1 25 VAL HG22 H 1.869 7.699 0.828 1.00 . A A . 24 VAL HG22 1 1 20 9218 1 1 25 VAL HG23 H 2.792 7.117 -0.558 1.00 . A A . 24 VAL HG23 1 1 20 9219 1 1 25 VAL N N 3.292 3.543 0.912 1.00 . A A . 24 VAL N 1 1 20 9220 1 1 25 VAL O O 4.196 6.977 1.473 1.00 . A A . 24 VAL O 1 1 20 9221 1 1 26 ALA C C 7.495 5.202 2.758 1.00 . A A . 25 ALA C 1 1 20 9222 1 1 26 ALA CA C 6.075 5.678 3.043 1.00 . A A . 25 ALA CA 1 1 20 9223 1 1 26 ALA CB C 5.707 5.407 4.494 1.00 . A A . 25 ALA CB 1 1 20 9224 1 1 26 ALA H H 5.112 4.062 2.076 1.00 . A A . 25 ALA H 1 1 20 9225 1 1 26 ALA HA H 6.024 6.745 2.878 1.00 . A A . 25 ALA HA 1 1 20 9226 1 1 26 ALA HB1 H 6.034 6.233 5.109 1.00 . A A . 25 ALA HB1 1 1 20 9227 1 1 26 ALA HB2 H 4.636 5.296 4.580 1.00 . A A . 25 ALA HB2 1 1 20 9228 1 1 26 ALA HB3 H 6.190 4.500 4.824 1.00 . A A . 25 ALA HB3 1 1 20 9229 1 1 26 ALA N N 5.116 5.039 2.151 1.00 . A A . 25 ALA N 1 1 20 9230 1 1 26 ALA O O 8.443 5.986 2.794 1.00 . A A . 25 ALA O 1 1 20 9231 1 1 27 CYS C C 8.971 2.744 0.774 1.00 . A A . 26 CYS C 1 1 20 9232 1 1 27 CYS CA C 8.939 3.328 2.182 1.00 . A A . 26 CYS CA 1 1 20 9233 1 1 27 CYS CB C 9.275 2.241 3.205 1.00 . A A . 26 CYS CB 1 1 20 9234 1 1 27 CYS H H 6.840 3.335 2.459 1.00 . A A . 26 CYS H 1 1 20 9235 1 1 27 CYS HA H 9.676 4.114 2.250 1.00 . A A . 26 CYS HA 1 1 20 9236 1 1 27 CYS HB2 H 10.323 1.992 3.122 1.00 . A A . 26 CYS HB2 1 1 20 9237 1 1 27 CYS HB3 H 9.078 2.619 4.198 1.00 . A A . 26 CYS HB3 1 1 20 9238 1 1 27 CYS N N 7.635 3.911 2.473 1.00 . A A . 26 CYS N 1 1 20 9239 1 1 27 CYS O O 10.041 2.475 0.227 1.00 . A A . 26 CYS O 1 1 20 9240 1 1 27 CYS SG S 8.322 0.704 2.996 1.00 . A A . 26 CYS SG 1 1 20 9241 1 1 28 GLU C C 7.978 0.499 -1.150 1.00 . A A . 27 GLU C 1 1 20 9242 1 1 28 GLU CA C 7.686 1.996 -1.153 1.00 . A A . 27 GLU CA 1 1 20 9243 1 1 28 GLU CB C 8.650 2.713 -2.101 1.00 . A A . 27 GLU CB 1 1 20 9244 1 1 28 GLU CD C 9.210 4.993 -3.033 1.00 . A A . 27 GLU CD 1 1 20 9245 1 1 28 GLU CG C 8.800 4.197 -1.810 1.00 . A A . 27 GLU CG 1 1 20 9246 1 1 28 GLU H H 6.974 2.784 0.679 1.00 . A A . 27 GLU H 1 1 20 9247 1 1 28 GLU HA H 6.675 2.153 -1.497 1.00 . A A . 27 GLU HA 1 1 20 9248 1 1 28 GLU HB2 H 9.623 2.251 -2.022 1.00 . A A . 27 GLU HB2 1 1 20 9249 1 1 28 GLU HB3 H 8.289 2.601 -3.113 1.00 . A A . 27 GLU HB3 1 1 20 9250 1 1 28 GLU HG2 H 7.854 4.577 -1.452 1.00 . A A . 27 GLU HG2 1 1 20 9251 1 1 28 GLU HG3 H 9.550 4.327 -1.045 1.00 . A A . 27 GLU HG3 1 1 20 9252 1 1 28 GLU N N 7.792 2.550 0.192 1.00 . A A . 27 GLU N 1 1 20 9253 1 1 28 GLU O O 8.720 -0.003 -1.995 1.00 . A A . 27 GLU O 1 1 20 9254 1 1 28 GLU OE1 O 10.182 4.588 -3.704 1.00 . A A . 27 GLU OE1 1 1 20 9255 1 1 28 GLU OE2 O 8.561 6.021 -3.318 1.00 . A A . 27 GLU OE2 1 1 20 9256 1 1 29 THR C C 6.537 -2.416 -0.874 1.00 . A A . 28 THR C 1 1 20 9257 1 1 29 THR CA C 7.586 -1.650 -0.077 1.00 . A A . 28 THR CA 1 1 20 9258 1 1 29 THR CB C 7.532 -2.108 1.393 1.00 . A A . 28 THR CB 1 1 20 9259 1 1 29 THR CG2 C 6.737 -3.399 1.529 1.00 . A A . 28 THR CG2 1 1 20 9260 1 1 29 THR H H 6.808 0.245 0.451 1.00 . A A . 28 THR H 1 1 20 9261 1 1 29 THR HA H 8.565 -1.885 -0.469 1.00 . A A . 28 THR HA 1 1 20 9262 1 1 29 THR HB H 7.045 -1.340 1.976 1.00 . A A . 28 THR HB 1 1 20 9263 1 1 29 THR HG1 H 9.059 -3.244 1.911 1.00 . A A . 28 THR HG1 1 1 20 9264 1 1 29 THR HG21 H 7.014 -4.078 0.736 1.00 . A A . 28 THR HG21 1 1 20 9265 1 1 29 THR HG22 H 5.682 -3.180 1.464 1.00 . A A . 28 THR HG22 1 1 20 9266 1 1 29 THR HG23 H 6.953 -3.854 2.484 1.00 . A A . 28 THR HG23 1 1 20 9267 1 1 29 THR N N 7.389 -0.211 -0.192 1.00 . A A . 28 THR N 1 1 20 9268 1 1 29 THR O O 5.375 -2.016 -0.961 1.00 . A A . 28 THR O 1 1 20 9269 1 1 29 THR OG1 O 8.860 -2.305 1.894 1.00 . A A . 28 THR OG1 1 1 20 9270 1 1 30 PRO C C 5.020 -5.106 -1.417 1.00 . A A . 29 PRO C 1 1 20 9271 1 1 30 PRO CA C 6.059 -4.389 -2.271 1.00 . A A . 29 PRO CA 1 1 20 9272 1 1 30 PRO CB C 7.013 -5.399 -2.914 1.00 . A A . 29 PRO CB 1 1 20 9273 1 1 30 PRO CD C 8.320 -4.081 -1.409 1.00 . A A . 29 PRO CD 1 1 20 9274 1 1 30 PRO CG C 8.180 -5.460 -1.990 1.00 . A A . 29 PRO CG 1 1 20 9275 1 1 30 PRO HA H 5.561 -3.822 -3.042 1.00 . A A . 29 PRO HA 1 1 20 9276 1 1 30 PRO HB2 H 6.522 -6.359 -2.996 1.00 . A A . 29 PRO HB2 1 1 20 9277 1 1 30 PRO HB3 H 7.303 -5.053 -3.894 1.00 . A A . 29 PRO HB3 1 1 20 9278 1 1 30 PRO HD2 H 8.668 -4.134 -0.388 1.00 . A A . 29 PRO HD2 1 1 20 9279 1 1 30 PRO HD3 H 8.995 -3.485 -2.008 1.00 . A A . 29 PRO HD3 1 1 20 9280 1 1 30 PRO HG2 H 7.992 -6.179 -1.208 1.00 . A A . 29 PRO HG2 1 1 20 9281 1 1 30 PRO HG3 H 9.070 -5.726 -2.540 1.00 . A A . 29 PRO HG3 1 1 20 9282 1 1 30 PRO N N 6.950 -3.543 -1.471 1.00 . A A . 29 PRO N 1 1 20 9283 1 1 30 PRO O O 5.360 -5.929 -0.567 1.00 . A A . 29 PRO O 1 1 20 9284 1 1 31 LYS C C 2.681 -6.923 -1.059 1.00 . A A . 30 LYS C 1 1 20 9285 1 1 31 LYS CA C 2.659 -5.405 -0.903 1.00 . A A . 30 LYS CA 1 1 20 9286 1 1 31 LYS CB C 1.313 -4.852 -1.378 1.00 . A A . 30 LYS CB 1 1 20 9287 1 1 31 LYS CD C -1.073 -5.545 -1.741 1.00 . A A . 30 LYS CD 1 1 20 9288 1 1 31 LYS CE C -2.019 -4.403 -1.401 1.00 . A A . 30 LYS CE 1 1 20 9289 1 1 31 LYS CG C 0.116 -5.584 -0.796 1.00 . A A . 30 LYS CG 1 1 20 9290 1 1 31 LYS H H 3.542 -4.126 -2.340 1.00 . A A . 30 LYS H 1 1 20 9291 1 1 31 LYS HA H 2.791 -5.161 0.140 1.00 . A A . 30 LYS HA 1 1 20 9292 1 1 31 LYS HB2 H 1.246 -3.812 -1.096 1.00 . A A . 30 LYS HB2 1 1 20 9293 1 1 31 LYS HB3 H 1.266 -4.929 -2.455 1.00 . A A . 30 LYS HB3 1 1 20 9294 1 1 31 LYS HD2 H -0.716 -5.413 -2.751 1.00 . A A . 30 LYS HD2 1 1 20 9295 1 1 31 LYS HD3 H -1.610 -6.480 -1.667 1.00 . A A . 30 LYS HD3 1 1 20 9296 1 1 31 LYS HE2 H -2.340 -4.512 -0.377 1.00 . A A . 30 LYS HE2 1 1 20 9297 1 1 31 LYS HE3 H -1.489 -3.469 -1.516 1.00 . A A . 30 LYS HE3 1 1 20 9298 1 1 31 LYS HG2 H 0.386 -6.613 -0.617 1.00 . A A . 30 LYS HG2 1 1 20 9299 1 1 31 LYS HG3 H -0.162 -5.113 0.137 1.00 . A A . 30 LYS HG3 1 1 20 9300 1 1 31 LYS HZ1 H -3.518 -3.414 -2.469 1.00 . A A . 30 LYS HZ1 1 1 20 9301 1 1 31 LYS HZ2 H -4.000 -4.905 -1.832 1.00 . A A . 30 LYS HZ2 1 1 20 9302 1 1 31 LYS HZ3 H -2.996 -4.852 -3.192 1.00 . A A . 30 LYS HZ3 1 1 20 9303 1 1 31 LYS N N 3.750 -4.790 -1.649 1.00 . A A . 30 LYS N 1 1 20 9304 1 1 31 LYS NZ N -3.217 -4.393 -2.285 1.00 . A A . 30 LYS NZ 1 1 20 9305 1 1 31 LYS O O 2.989 -7.456 -2.125 1.00 . A A . 30 LYS O 1 1 20 9306 1 1 32 PRO C C 1.177 -9.662 -0.807 1.00 . A A . 31 PRO C 1 1 20 9307 1 1 32 PRO CA C 2.316 -9.101 0.034 1.00 . A A . 31 PRO CA 1 1 20 9308 1 1 32 PRO CB C 2.110 -9.444 1.512 1.00 . A A . 31 PRO CB 1 1 20 9309 1 1 32 PRO CD C 1.967 -7.064 1.331 1.00 . A A . 31 PRO CD 1 1 20 9310 1 1 32 PRO CG C 1.431 -8.249 2.087 1.00 . A A . 31 PRO CG 1 1 20 9311 1 1 32 PRO HA H 3.254 -9.517 -0.306 1.00 . A A . 31 PRO HA 1 1 20 9312 1 1 32 PRO HB2 H 1.493 -10.328 1.596 1.00 . A A . 31 PRO HB2 1 1 20 9313 1 1 32 PRO HB3 H 3.066 -9.618 1.982 1.00 . A A . 31 PRO HB3 1 1 20 9314 1 1 32 PRO HD2 H 1.200 -6.312 1.214 1.00 . A A . 31 PRO HD2 1 1 20 9315 1 1 32 PRO HD3 H 2.828 -6.652 1.835 1.00 . A A . 31 PRO HD3 1 1 20 9316 1 1 32 PRO HG2 H 0.363 -8.330 1.949 1.00 . A A . 31 PRO HG2 1 1 20 9317 1 1 32 PRO HG3 H 1.669 -8.161 3.137 1.00 . A A . 31 PRO HG3 1 1 20 9318 1 1 32 PRO N N 2.345 -7.634 0.027 1.00 . A A . 31 PRO N 1 1 20 9319 1 1 32 PRO O O 1.114 -9.378 -2.003 1.00 . A A . 31 PRO O 1 1 20 9320 2 2 1 ZN ZN ZN 6.527 0.802 4.587 1.00 . B A . 32 ZN ZN 1 1 stop_ save_
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