NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
389260 | 1nj3 | 5669 | cing | 4-filtered-FRED | STAR | entry | full | 323 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1nj3 # This FRED archive file contains, for PDB entry <1nj3>: # # - 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_1nj3 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1nj3 _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all other bound" _Assembly.Molecular_mass 3421.24 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 $NPL4 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_NPL4 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name NPL4 _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code GSTSAMWACQHCTFMNQPGTGHCEMCSLPRT _Entity.Number_of_monomers 31 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 GLY . 1 1 2 SER . 1 1 3 THR . 1 1 4 SER . 1 1 5 ALA . 1 1 6 MET . 1 1 7 TRP . 1 1 8 ALA . 1 1 9 CYS . 1 1 10 GLN . 1 1 11 HIS . 1 1 12 CYS . 1 1 13 THR . 1 1 14 PHE . 1 1 15 MET . 1 1 16 ASN . 1 1 17 GLN . 1 1 18 PRO . 1 1 19 GLY . 1 1 20 THR . 1 1 21 GLY . 1 1 22 HIS . 1 1 23 CYS . 1 1 24 GLU . 1 1 25 MET . 1 1 26 CYS . 1 1 27 SER . 1 1 28 LEU . 1 1 29 PRO . 1 1 30 ARG . 1 1 31 THR . 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID GLY 1 1 1 1 SER 2 2 1 1 THR 3 3 1 1 SER 4 4 1 1 ALA 5 5 1 1 MET 6 6 1 1 TRP 7 7 1 1 ALA 8 8 1 1 CYS 9 9 1 1 GLN 10 10 1 1 HIS 11 11 1 1 CYS 12 12 1 1 THR 13 13 1 1 PHE 14 14 1 1 MET 15 15 1 1 ASN 16 16 1 1 GLN 17 17 1 1 PRO 18 18 1 1 GLY 19 19 1 1 THR 20 20 1 1 GLY 21 21 1 1 HIS 22 22 1 1 CYS 23 23 1 1 GLU 24 24 1 1 MET 25 25 1 1 CYS 26 26 1 1 SER 27 27 1 1 LEU 28 28 1 1 PRO 29 29 1 1 ARG 30 30 1 1 THR 31 31 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_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 1 . . . 1 1 196 1 . . . 1 1 197 1 . . . 1 1 198 1 . . . 1 1 199 1 . . . 1 1 200 1 . . . 1 1 201 1 . . . 1 1 202 1 . . . 1 1 203 1 . . . 1 1 204 1 . . . 1 1 205 1 . . . 1 1 206 1 . . . 1 1 207 1 . . . 1 1 208 1 . . . 1 1 209 1 . . . 1 1 210 1 . . . 1 1 211 1 . . . 1 1 212 1 . . . 1 1 213 1 . . . 1 1 214 1 . . . 1 1 215 1 . . . 1 1 216 1 . . . 1 1 217 1 . . . 1 1 218 1 . . . 1 1 219 1 . . . 1 1 220 1 . . . 1 1 221 1 . . . 1 1 222 1 . . . 1 1 223 1 . . . 1 1 224 1 . . . 1 1 225 1 . . . 1 1 226 1 . . . 1 1 227 1 . . . 1 1 228 1 . . . 1 1 229 1 . . . 1 1 230 1 . . . 1 1 231 1 . . . 1 1 232 1 . . . 1 1 233 1 . . . 1 1 234 1 . . . 1 1 235 1 . . . 1 1 236 1 . . . 1 1 237 1 . . . 1 1 238 1 . . . 1 1 239 1 . . . 1 1 240 1 . . . 1 1 241 1 . . . 1 1 242 1 . . . 1 1 243 1 . . . 1 1 244 1 . . . 1 1 245 1 . . . 1 1 246 1 . . . 1 1 247 1 . . . 1 1 248 1 . . . 1 1 249 1 . . . 1 1 250 1 . . . 1 1 251 1 . . . 1 1 252 1 . . . 1 1 253 1 . . . 1 1 254 1 . . . 1 1 255 1 . . . 1 1 256 1 . . . 1 1 257 1 . . . 1 1 258 1 . . . 1 1 259 1 . . . 1 1 260 1 . . . 1 1 261 1 . . . 1 1 262 1 . . . 1 1 263 1 . . . 1 1 264 1 . . . 1 1 265 1 . . . 1 1 266 1 . . . 1 1 267 1 . . . 1 1 268 1 . . . 1 1 269 1 . . . 1 1 270 1 . . . 1 1 271 1 . . . 1 1 272 1 . . . 1 1 273 1 . . . 1 1 274 1 . . . 1 1 275 1 . . . 1 1 276 1 . . . 1 1 277 1 . . . 1 1 278 1 . . . 1 1 279 1 . . . 1 1 280 1 . . . 1 1 281 1 . . . 1 1 282 1 . . . 1 1 283 1 . . . 1 1 284 1 . . . 1 1 285 1 . . . 1 1 286 1 . . . 1 1 287 1 . . . 1 1 288 1 . . . 1 1 289 1 . . . 1 1 290 1 . . . 1 1 291 1 . . . 1 1 292 1 . . . 1 1 293 1 . . . 1 1 294 1 . . . 1 1 295 1 . . . 1 1 296 1 . . . 1 1 297 1 . . . 1 1 298 1 . . . 1 1 299 1 . . . 1 1 300 1 . . . 1 1 301 1 . . . 1 1 302 1 . . . 1 1 303 1 . . . 1 1 304 1 . . . 1 1 305 1 . . . 1 1 306 1 . . . 1 1 307 1 . . . 1 1 308 1 . . . 1 1 309 1 . . . 1 1 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 3 THR MG . 3 . HG2# 1 1 1 1 2 1 1 17 GLN HA . 17 . HA 1 1 2 1 1 1 1 5 ALA H . 5 . HN 1 1 2 1 2 1 1 18 PRO QD . 18 . HD# 1 1 3 1 1 1 1 5 ALA HA . 5 . HA 1 1 3 1 2 1 1 6 MET H . 6 . HN 1 1 4 1 1 1 1 5 ALA MB . 5 . HB# 1 1 4 1 2 1 1 7 TRP H . 7 . HN 1 1 5 1 1 1 1 6 MET H . 6 . HN 1 1 5 1 2 1 1 6 MET HB3 . 6 . HB1 1 1 6 1 1 1 1 6 MET H . 6 . HN 1 1 6 1 2 1 1 6 MET HB2 . 6 . HB2 1 1 7 1 1 1 1 6 MET H . 6 . HN 1 1 7 1 2 1 1 6 MET HG3 . 6 . HG1 1 1 8 1 1 1 1 6 MET H . 6 . HN 1 1 8 1 2 1 1 6 MET HG2 . 6 . HG2 1 1 9 1 1 1 1 6 MET H . 6 . HN 1 1 9 1 2 1 1 6 MET QG . 6 . HG# 1 1 10 1 1 1 1 6 MET H . 6 . HN 1 1 10 1 2 1 1 7 TRP H . 7 . HN 1 1 11 1 1 1 1 6 MET H . 6 . HN 1 1 11 1 2 1 1 18 PRO HD3 . 18 . HD1 1 1 12 1 1 1 1 6 MET H . 6 . HN 1 1 12 1 2 1 1 18 PRO HD2 . 18 . HD2 1 1 13 1 1 1 1 6 MET HA . 6 . HA 1 1 13 1 2 1 1 6 MET HB2 . 6 . HB2 1 1 14 1 1 1 1 6 MET HA . 6 . HA 1 1 14 1 2 1 1 6 MET QG . 6 . HG# 1 1 15 1 1 1 1 6 MET HA . 6 . HA 1 1 15 1 2 1 1 7 TRP H . 7 . HN 1 1 16 1 1 1 1 6 MET HA . 6 . HA 1 1 16 1 2 1 1 18 PRO HD3 . 18 . HD1 1 1 17 1 1 1 1 6 MET HA . 6 . HA 1 1 17 1 2 1 1 18 PRO HD2 . 18 . HD2 1 1 18 1 1 1 1 6 MET HA . 6 . HA 1 1 18 1 2 1 1 18 PRO QD . 18 . HD# 1 1 19 1 1 1 1 6 MET HB3 . 6 . HB1 1 1 19 1 2 1 1 7 TRP H . 7 . HN 1 1 20 1 1 1 1 6 MET HB3 . 6 . HB1 1 1 20 1 2 1 1 17 GLN HE21 . 17 . HE21 1 1 21 1 1 1 1 6 MET HB3 . 6 . HB1 1 1 21 1 2 1 1 17 GLN HE22 . 17 . HE22 1 1 22 1 1 1 1 6 MET HB2 . 6 . HB2 1 1 22 1 2 1 1 7 TRP H . 7 . HN 1 1 23 1 1 1 1 6 MET HG3 . 6 . HG1 1 1 23 1 2 1 1 7 TRP H . 7 . HN 1 1 24 1 1 1 1 6 MET HG3 . 6 . HG1 1 1 24 1 2 1 1 18 PRO HD3 . 18 . HD1 1 1 25 1 1 1 1 6 MET HG3 . 6 . HG1 1 1 25 1 2 1 1 18 PRO HD2 . 18 . HD2 1 1 26 1 1 1 1 6 MET HG2 . 6 . HG2 1 1 26 1 2 1 1 7 TRP H . 7 . HN 1 1 27 1 1 1 1 6 MET HG2 . 6 . HG2 1 1 27 1 2 1 1 18 PRO HD3 . 18 . HD1 1 1 28 1 1 1 1 6 MET HG2 . 6 . HG2 1 1 28 1 2 1 1 18 PRO HD2 . 18 . HD2 1 1 29 1 1 1 1 6 MET QG . 6 . HG# 1 1 29 1 2 1 1 7 TRP HE1 . 7 . HE1 1 1 30 1 1 1 1 6 MET QG . 6 . HG# 1 1 30 1 2 1 1 17 GLN HA . 17 . HA 1 1 31 1 1 1 1 6 MET QG . 6 . HG# 1 1 31 1 2 1 1 18 PRO QD . 18 . HD# 1 1 32 1 1 1 1 7 TRP H . 7 . HN 1 1 32 1 2 1 1 7 TRP HB2 . 7 . HB2 1 1 33 1 1 1 1 7 TRP H . 7 . HN 1 1 33 1 2 1 1 7 TRP HD1 . 7 . HD1 1 1 34 1 1 1 1 7 TRP H . 7 . HN 1 1 34 1 2 1 1 7 TRP HE1 . 7 . HE1 1 1 35 1 1 1 1 7 TRP H . 7 . HN 1 1 35 1 2 1 1 8 ALA H . 8 . HN 1 1 36 1 1 1 1 7 TRP H . 7 . HN 1 1 36 1 2 1 1 16 ASN H . 16 . HN 1 1 37 1 1 1 1 7 TRP H . 7 . HN 1 1 37 1 2 1 1 16 ASN HB3 . 16 . HB1 1 1 38 1 1 1 1 7 TRP H . 7 . HN 1 1 38 1 2 1 1 18 PRO QD . 18 . HD# 1 1 39 1 1 1 1 7 TRP HA . 7 . HA 1 1 39 1 2 1 1 7 TRP HB3 . 7 . HB1 1 1 40 1 1 1 1 7 TRP HA . 7 . HA 1 1 40 1 2 1 1 7 TRP HB2 . 7 . HB2 1 1 41 1 1 1 1 7 TRP HA . 7 . HA 1 1 41 1 2 1 1 8 ALA H . 8 . HN 1 1 42 1 1 1 1 7 TRP HB3 . 7 . HB1 1 1 42 1 2 1 1 8 ALA H . 8 . HN 1 1 43 1 1 1 1 7 TRP HB2 . 7 . HB2 1 1 43 1 2 1 1 8 ALA H . 8 . HN 1 1 44 1 1 1 1 7 TRP HD1 . 7 . HD1 1 1 44 1 2 1 1 18 PRO HA . 18 . HA 1 1 45 1 1 1 1 7 TRP HE3 . 7 . HE3 1 1 45 1 2 1 1 8 ALA HA . 8 . HA 1 1 46 1 1 1 1 7 TRP HE3 . 7 . HE3 1 1 46 1 2 1 1 9 CYS HB2 . 9 . HB2 1 1 47 1 1 1 1 7 TRP HE3 . 7 . HE3 1 1 47 1 2 1 1 30 ARG HA . 30 . HA 1 1 48 1 1 1 1 7 TRP HE1 . 7 . HE1 1 1 48 1 2 1 1 16 ASN HB3 . 16 . HB1 1 1 49 1 1 1 1 7 TRP HE1 . 7 . HE1 1 1 49 1 2 1 1 16 ASN HB2 . 16 . HB2 1 1 50 1 1 1 1 7 TRP HE1 . 7 . HE1 1 1 50 1 2 1 1 17 GLN H . 17 . HN 1 1 51 1 1 1 1 7 TRP HE1 . 7 . HE1 1 1 51 1 2 1 1 18 PRO HA . 18 . HA 1 1 52 1 1 1 1 7 TRP HE1 . 7 . HE1 1 1 52 1 2 1 1 18 PRO QD . 18 . HD# 1 1 53 1 1 1 1 7 TRP HE1 . 7 . HE1 1 1 53 1 2 1 1 20 THR H . 20 . HN 1 1 54 1 1 1 1 7 TRP HE1 . 7 . HE1 1 1 54 1 2 1 1 20 THR MG . 20 . HG2# 1 1 55 1 1 1 1 7 TRP HE1 . 7 . HE1 1 1 55 1 2 1 1 30 ARG HB3 . 30 . HB1 1 1 56 1 1 1 1 7 TRP HE1 . 7 . HE1 1 1 56 1 2 1 1 30 ARG HB2 . 30 . HB2 1 1 57 1 1 1 1 7 TRP HE1 . 7 . HE1 1 1 57 1 2 1 1 30 ARG HD3 . 30 . HD1 1 1 58 1 1 1 1 7 TRP HE1 . 7 . HE1 1 1 58 1 2 1 1 30 ARG HD2 . 30 . HD2 1 1 59 1 1 1 1 7 TRP HE1 . 7 . HE1 1 1 59 1 2 1 1 30 ARG QD . 30 . HD# 1 1 60 1 1 1 1 7 TRP HZ3 . 7 . HZ3 1 1 60 1 2 1 1 16 ASN HB2 . 16 . HB2 1 1 61 1 1 1 1 7 TRP HZ2 . 7 . HZ2 1 1 61 1 2 1 1 16 ASN HB2 . 16 . HB2 1 1 62 1 1 1 1 7 TRP HZ2 . 7 . HZ2 1 1 62 1 2 1 1 20 THR MG . 20 . HG2# 1 1 63 1 1 1 1 7 TRP HH2 . 7 . HH2 1 1 63 1 2 1 1 22 HIS H . 22 . HN 1 1 64 1 1 1 1 7 TRP HH2 . 7 . HH2 1 1 64 1 2 1 1 22 HIS HA . 22 . HA 1 1 65 1 1 1 1 7 TRP HH2 . 7 . HH2 1 1 65 1 2 1 1 23 CYS H . 23 . HN 1 1 66 1 1 1 1 7 TRP HH2 . 7 . HH2 1 1 66 1 2 1 1 23 CYS HA . 23 . HA 1 1 67 1 1 1 1 7 TRP HH2 . 7 . HH2 1 1 67 1 2 1 1 23 CYS HB3 . 23 . HB1 1 1 68 1 1 1 1 7 TRP HH2 . 7 . HH2 1 1 68 1 2 1 1 23 CYS HB2 . 23 . HB2 1 1 69 1 1 1 1 7 TRP HH2 . 7 . HH2 1 1 69 1 2 1 1 28 LEU QD . 28 . HD## 1 1 70 1 1 1 1 7 TRP HH2 . 7 . HH2 1 1 70 1 2 1 1 30 ARG HA . 30 . HA 1 1 71 1 1 1 1 8 ALA HA . 8 . HA 1 1 71 1 2 1 1 9 CYS H . 9 . HN 1 1 72 1 1 1 1 8 ALA HA . 8 . HA 1 1 72 1 2 1 1 15 MET HA . 15 . HA 1 1 73 1 1 1 1 9 CYS H . 9 . HN 1 1 73 1 2 1 1 9 CYS HA . 9 . HA 1 1 74 1 1 1 1 9 CYS H . 9 . HN 1 1 74 1 2 1 1 9 CYS HB3 . 9 . HB1 1 1 75 1 1 1 1 9 CYS H . 9 . HN 1 1 75 1 2 1 1 9 CYS HB2 . 9 . HB2 1 1 76 1 1 1 1 9 CYS H . 9 . HN 1 1 76 1 2 1 1 10 GLN H . 10 . HN 1 1 77 1 1 1 1 9 CYS H . 9 . HN 1 1 77 1 2 1 1 10 GLN HA . 10 . HA 1 1 78 1 1 1 1 9 CYS H . 9 . HN 1 1 78 1 2 1 1 13 THR H . 13 . HN 1 1 79 1 1 1 1 9 CYS H . 9 . HN 1 1 79 1 2 1 1 13 THR HA . 13 . HA 1 1 80 1 1 1 1 9 CYS H . 9 . HN 1 1 80 1 2 1 1 14 PHE HB2 . 14 . HB2 1 1 81 1 1 1 1 9 CYS H . 9 . HN 1 1 81 1 2 1 1 15 MET H . 15 . HN 1 1 82 1 1 1 1 9 CYS H . 9 . HN 1 1 82 1 2 1 1 16 ASN HB3 . 16 . HB1 1 1 83 1 1 1 1 9 CYS H . 9 . HN 1 1 83 1 2 1 1 16 ASN QD . 16 . HD2# 1 1 84 1 1 1 1 9 CYS HA . 9 . HA 1 1 84 1 2 1 1 9 CYS HB2 . 9 . HB2 1 1 85 1 1 1 1 9 CYS HA . 9 . HA 1 1 85 1 2 1 1 10 GLN H . 10 . HN 1 1 86 1 1 1 1 9 CYS HB3 . 9 . HB1 1 1 86 1 2 1 1 10 GLN QE . 10 . HE2# 1 1 87 1 1 1 1 9 CYS HB3 . 9 . HB1 1 1 87 1 2 1 1 13 THR H . 13 . HN 1 1 88 1 1 1 1 9 CYS HB2 . 9 . HB2 1 1 88 1 2 1 1 10 GLN H . 10 . HN 1 1 89 1 1 1 1 9 CYS HB2 . 9 . HB2 1 1 89 1 2 1 1 11 HIS H . 11 . HN 1 1 90 1 1 1 1 9 CYS HB2 . 9 . HB2 1 1 90 1 2 1 1 12 CYS H . 12 . HN 1 1 91 1 1 1 1 9 CYS HB2 . 9 . HB2 1 1 91 1 2 1 1 13 THR H . 13 . HN 1 1 92 1 1 1 1 9 CYS HB2 . 9 . HB2 1 1 92 1 2 1 1 14 PHE H . 14 . HN 1 1 93 1 1 1 1 9 CYS HB2 . 9 . HB2 1 1 93 1 2 1 1 16 ASN QD . 16 . HD2# 1 1 94 1 1 1 1 10 GLN H . 10 . HN 1 1 94 1 2 1 1 10 GLN QB . 10 . HB# 1 1 95 1 1 1 1 10 GLN H . 10 . HN 1 1 95 1 2 1 1 10 GLN QG . 10 . HG# 1 1 96 1 1 1 1 10 GLN H . 10 . HN 1 1 96 1 2 1 1 10 GLN QE . 10 . HE2# 1 1 97 1 1 1 1 10 GLN H . 10 . HN 1 1 97 1 2 1 1 11 HIS H . 11 . HN 1 1 98 1 1 1 1 10 GLN H . 10 . HN 1 1 98 1 2 1 1 12 CYS H . 12 . HN 1 1 99 1 1 1 1 10 GLN HA . 10 . HA 1 1 99 1 2 1 1 11 HIS HA . 11 . HA 1 1 100 1 1 1 1 10 GLN HA . 10 . HA 1 1 100 1 2 1 1 12 CYS H . 12 . HN 1 1 101 1 1 1 1 10 GLN HA . 10 . HA 1 1 101 1 2 1 1 13 THR H . 13 . HN 1 1 102 1 1 1 1 10 GLN HG3 . 10 . HG1 1 1 102 1 2 1 1 11 HIS H . 11 . HN 1 1 103 1 1 1 1 10 GLN HG2 . 10 . HG2 1 1 103 1 2 1 1 11 HIS H . 11 . HN 1 1 104 1 1 1 1 10 GLN QE . 10 . HE2# 1 1 104 1 2 1 1 12 CYS H . 12 . HN 1 1 105 1 1 1 1 11 HIS H . 11 . HN 1 1 105 1 2 1 1 12 CYS H . 12 . HN 1 1 106 1 1 1 1 11 HIS H . 11 . HN 1 1 106 1 2 1 1 12 CYS HA . 12 . HA 1 1 107 1 1 1 1 11 HIS H . 11 . HN 1 1 107 1 2 1 1 12 CYS HB2 . 12 . HB2 1 1 108 1 1 1 1 11 HIS H . 11 . HN 1 1 108 1 2 1 1 13 THR H . 13 . HN 1 1 109 1 1 1 1 11 HIS H . 11 . HN 1 1 109 1 2 1 1 13 THR HA . 13 . HA 1 1 110 1 1 1 1 11 HIS H . 11 . HN 1 1 110 1 2 1 1 13 THR MG . 13 . HG2# 1 1 111 1 1 1 1 11 HIS H . 11 . HN 1 1 111 1 2 1 1 14 PHE H . 14 . HN 1 1 112 1 1 1 1 11 HIS QB . 11 . HB# 1 1 112 1 2 1 1 12 CYS H . 12 . HN 1 1 113 1 1 1 1 12 CYS H . 12 . HN 1 1 113 1 2 1 1 12 CYS HB3 . 12 . HB1 1 1 114 1 1 1 1 12 CYS H . 12 . HN 1 1 114 1 2 1 1 12 CYS HB2 . 12 . HB2 1 1 115 1 1 1 1 12 CYS H . 12 . HN 1 1 115 1 2 1 1 13 THR H . 13 . HN 1 1 116 1 1 1 1 12 CYS H . 12 . HN 1 1 116 1 2 1 1 13 THR HA . 13 . HA 1 1 117 1 1 1 1 12 CYS H . 12 . HN 1 1 117 1 2 1 1 13 THR MG . 13 . HG2# 1 1 118 1 1 1 1 12 CYS H . 12 . HN 1 1 118 1 2 1 1 14 PHE H . 14 . HN 1 1 119 1 1 1 1 12 CYS HA . 12 . HA 1 1 119 1 2 1 1 12 CYS HB3 . 12 . HB1 1 1 120 1 1 1 1 12 CYS HA . 12 . HA 1 1 120 1 2 1 1 12 CYS HB2 . 12 . HB2 1 1 121 1 1 1 1 12 CYS HA . 12 . HA 1 1 121 1 2 1 1 13 THR MG . 13 . HG2# 1 1 122 1 1 1 1 12 CYS HA . 12 . HA 1 1 122 1 2 1 1 14 PHE H . 14 . HN 1 1 123 1 1 1 1 12 CYS HB3 . 12 . HB1 1 1 123 1 2 1 1 13 THR H . 13 . HN 1 1 124 1 1 1 1 12 CYS HB2 . 12 . HB2 1 1 124 1 2 1 1 13 THR H . 13 . HN 1 1 125 1 1 1 1 13 THR H . 13 . HN 1 1 125 1 2 1 1 13 THR HA . 13 . HA 1 1 126 1 1 1 1 13 THR H . 13 . HN 1 1 126 1 2 1 1 13 THR HB . 13 . HB 1 1 127 1 1 1 1 13 THR H . 13 . HN 1 1 127 1 2 1 1 14 PHE H . 14 . HN 1 1 128 1 1 1 1 13 THR H . 13 . HN 1 1 128 1 2 1 1 26 CYS H . 26 . HN 1 1 129 1 1 1 1 13 THR HA . 13 . HA 1 1 129 1 2 1 1 13 THR HB . 13 . HB 1 1 130 1 1 1 1 13 THR MG . 13 . HG2# 1 1 130 1 2 1 1 14 PHE H . 14 . HN 1 1 131 1 1 1 1 14 PHE H . 14 . HN 1 1 131 1 2 1 1 14 PHE HB3 . 14 . HB1 1 1 132 1 1 1 1 14 PHE H . 14 . HN 1 1 132 1 2 1 1 14 PHE HB2 . 14 . HB2 1 1 133 1 1 1 1 14 PHE H . 14 . HN 1 1 133 1 2 1 1 15 MET H . 15 . HN 1 1 134 1 1 1 1 14 PHE H . 14 . HN 1 1 134 1 2 1 1 15 MET HA . 15 . HA 1 1 135 1 1 1 1 14 PHE HA . 14 . HA 1 1 135 1 2 1 1 14 PHE HB3 . 14 . HB1 1 1 136 1 1 1 1 14 PHE HA . 14 . HA 1 1 136 1 2 1 1 15 MET H . 15 . HN 1 1 137 1 1 1 1 14 PHE HA . 14 . HA 1 1 137 1 2 1 1 15 MET HB2 . 15 . HB2 1 1 138 1 1 1 1 14 PHE HB3 . 14 . HB1 1 1 138 1 2 1 1 15 MET H . 15 . HN 1 1 139 1 1 1 1 14 PHE HB2 . 14 . HB2 1 1 139 1 2 1 1 15 MET H . 15 . HN 1 1 140 1 1 1 1 14 PHE HB2 . 14 . HB2 1 1 140 1 2 1 1 16 ASN QD . 16 . HD2# 1 1 141 1 1 1 1 14 PHE QD . 14 . HD# 1 1 141 1 2 1 1 16 ASN HA . 16 . HA 1 1 142 1 1 1 1 14 PHE QD . 14 . HD# 1 1 142 1 2 1 1 16 ASN QD . 16 . HD2# 1 1 143 1 1 1 1 14 PHE QD . 14 . HD# 1 1 143 1 2 1 1 24 GLU H . 24 . HN 1 1 144 1 1 1 1 14 PHE QD . 14 . HD# 1 1 144 1 2 1 1 24 GLU HB3 . 24 . HB1 1 1 145 1 1 1 1 14 PHE QD . 14 . HD# 1 1 145 1 2 1 1 24 GLU HB2 . 24 . HB2 1 1 146 1 1 1 1 14 PHE QD . 14 . HD# 1 1 146 1 2 1 1 25 MET H . 25 . HN 1 1 147 1 1 1 1 14 PHE QE . 14 . HE# 1 1 147 1 2 1 1 16 ASN HA . 16 . HA 1 1 148 1 1 1 1 14 PHE QE . 14 . HE# 1 1 148 1 2 1 1 17 GLN H . 17 . HN 1 1 149 1 1 1 1 14 PHE QE . 14 . HE# 1 1 149 1 2 1 1 24 GLU H . 24 . HN 1 1 150 1 1 1 1 14 PHE QE . 14 . HE# 1 1 150 1 2 1 1 24 GLU HB3 . 24 . HB1 1 1 151 1 1 1 1 14 PHE QE . 14 . HE# 1 1 151 1 2 1 1 24 GLU HB2 . 24 . HB2 1 1 152 1 1 1 1 14 PHE QE . 14 . HE# 1 1 152 1 2 1 1 25 MET H . 25 . HN 1 1 153 1 1 1 1 15 MET H . 15 . HN 1 1 153 1 2 1 1 15 MET HB3 . 15 . HB1 1 1 154 1 1 1 1 15 MET H . 15 . HN 1 1 154 1 2 1 1 15 MET HB2 . 15 . HB2 1 1 155 1 1 1 1 15 MET H . 15 . HN 1 1 155 1 2 1 1 15 MET QG . 15 . HG# 1 1 156 1 1 1 1 15 MET H . 15 . HN 1 1 156 1 2 1 1 16 ASN H . 16 . HN 1 1 157 1 1 1 1 15 MET HA . 15 . HA 1 1 157 1 2 1 1 16 ASN H . 16 . HN 1 1 158 1 1 1 1 15 MET HA . 15 . HA 1 1 158 1 2 1 1 16 ASN HB3 . 16 . HB1 1 1 159 1 1 1 1 15 MET HB3 . 15 . HB1 1 1 159 1 2 1 1 16 ASN H . 16 . HN 1 1 160 1 1 1 1 15 MET HB2 . 15 . HB2 1 1 160 1 2 1 1 16 ASN H . 16 . HN 1 1 161 1 1 1 1 15 MET QG . 15 . HG# 1 1 161 1 2 1 1 16 ASN H . 16 . HN 1 1 162 1 1 1 1 16 ASN H . 16 . HN 1 1 162 1 2 1 1 16 ASN HA . 16 . HA 1 1 163 1 1 1 1 16 ASN H . 16 . HN 1 1 163 1 2 1 1 16 ASN HB3 . 16 . HB1 1 1 164 1 1 1 1 16 ASN H . 16 . HN 1 1 164 1 2 1 1 16 ASN HB2 . 16 . HB2 1 1 165 1 1 1 1 16 ASN H . 16 . HN 1 1 165 1 2 1 1 16 ASN QD . 16 . HD2# 1 1 166 1 1 1 1 16 ASN H . 16 . HN 1 1 166 1 2 1 1 17 GLN HA . 17 . HA 1 1 167 1 1 1 1 16 ASN HA . 16 . HA 1 1 167 1 2 1 1 17 GLN H . 17 . HN 1 1 168 1 1 1 1 16 ASN HB3 . 16 . HB1 1 1 168 1 2 1 1 17 GLN H . 17 . HN 1 1 169 1 1 1 1 16 ASN QD . 16 . HD2# 1 1 169 1 2 1 1 23 CYS HA . 23 . HA 1 1 170 1 1 1 1 16 ASN QD . 16 . HD2# 1 1 170 1 2 1 1 23 CYS HB3 . 23 . HB1 1 1 171 1 1 1 1 16 ASN QD . 16 . HD2# 1 1 171 1 2 1 1 23 CYS HB2 . 23 . HB2 1 1 172 1 1 1 1 16 ASN QD . 16 . HD2# 1 1 172 1 2 1 1 24 GLU H . 24 . HN 1 1 173 1 1 1 1 17 GLN H . 17 . HN 1 1 173 1 2 1 1 17 GLN HB3 . 17 . HB1 1 1 174 1 1 1 1 17 GLN H . 17 . HN 1 1 174 1 2 1 1 17 GLN HB2 . 17 . HB2 1 1 175 1 1 1 1 17 GLN H . 17 . HN 1 1 175 1 2 1 1 17 GLN HG3 . 17 . HG1 1 1 176 1 1 1 1 17 GLN H . 17 . HN 1 1 176 1 2 1 1 17 GLN HG2 . 17 . HG2 1 1 177 1 1 1 1 17 GLN H . 17 . HN 1 1 177 1 2 1 1 17 GLN QG . 17 . HG# 1 1 178 1 1 1 1 17 GLN H . 17 . HN 1 1 178 1 2 1 1 17 GLN QE . 17 . HE2# 1 1 179 1 1 1 1 17 GLN H . 17 . HN 1 1 179 1 2 1 1 18 PRO HD3 . 18 . HD1 1 1 180 1 1 1 1 17 GLN H . 17 . HN 1 1 180 1 2 1 1 18 PRO HD2 . 18 . HD2 1 1 181 1 1 1 1 17 GLN H . 17 . HN 1 1 181 1 2 1 1 20 THR MG . 20 . HG2# 1 1 182 1 1 1 1 17 GLN HA . 17 . HA 1 1 182 1 2 1 1 17 GLN HB2 . 17 . HB2 1 1 183 1 1 1 1 17 GLN HA . 17 . HA 1 1 183 1 2 1 1 17 GLN HE21 . 17 . HE21 1 1 184 1 1 1 1 17 GLN HA . 17 . HA 1 1 184 1 2 1 1 17 GLN HE22 . 17 . HE22 1 1 185 1 1 1 1 17 GLN HA . 17 . HA 1 1 185 1 2 1 1 18 PRO QD . 18 . HD# 1 1 186 1 1 1 1 17 GLN HB3 . 17 . HB1 1 1 186 1 2 1 1 18 PRO QD . 18 . HD# 1 1 187 1 1 1 1 17 GLN HB3 . 17 . HB1 1 1 187 1 2 1 1 20 THR H . 20 . HN 1 1 188 1 1 1 1 17 GLN HB2 . 17 . HB2 1 1 188 1 2 1 1 17 GLN QG . 17 . HG# 1 1 189 1 1 1 1 17 GLN HB2 . 17 . HB2 1 1 189 1 2 1 1 17 GLN HE21 . 17 . HE21 1 1 190 1 1 1 1 17 GLN HB2 . 17 . HB2 1 1 190 1 2 1 1 17 GLN HE22 . 17 . HE22 1 1 191 1 1 1 1 17 GLN HB2 . 17 . HB2 1 1 191 1 2 1 1 18 PRO QD . 18 . HD# 1 1 192 1 1 1 1 17 GLN HB2 . 17 . HB2 1 1 192 1 2 1 1 20 THR H . 20 . HN 1 1 193 1 1 1 1 17 GLN QG . 17 . HG# 1 1 193 1 2 1 1 20 THR H . 20 . HN 1 1 194 1 1 1 1 19 GLY H . 19 . HN 1 1 194 1 2 1 1 20 THR H . 20 . HN 1 1 195 1 1 1 1 19 GLY H . 19 . HN 1 1 195 1 2 1 1 20 THR HB . 20 . HB 1 1 196 1 1 1 1 19 GLY HA3 . 19 . HA1 1 1 196 1 2 1 1 20 THR H . 20 . HN 1 1 197 1 1 1 1 19 GLY HA2 . 19 . HA2 1 1 197 1 2 1 1 20 THR H . 20 . HN 1 1 198 1 1 1 1 20 THR H . 20 . HN 1 1 198 1 2 1 1 20 THR HB . 20 . HB 1 1 199 1 1 1 1 20 THR H . 20 . HN 1 1 199 1 2 1 1 20 THR MG . 20 . HG2# 1 1 200 1 1 1 1 20 THR HA . 20 . HA 1 1 200 1 2 1 1 20 THR HB . 20 . HB 1 1 201 1 1 1 1 20 THR HA . 20 . HA 1 1 201 1 2 1 1 22 HIS H . 22 . HN 1 1 202 1 1 1 1 20 THR HA . 20 . HA 1 1 202 1 2 1 1 23 CYS H . 23 . HN 1 1 203 1 1 1 1 20 THR HB . 20 . HB 1 1 203 1 2 1 1 22 HIS H . 22 . HN 1 1 204 1 1 1 1 20 THR HB . 20 . HB 1 1 204 1 2 1 1 23 CYS H . 23 . HN 1 1 205 1 1 1 1 20 THR MG . 20 . HG2# 1 1 205 1 2 1 1 22 HIS H . 22 . HN 1 1 206 1 1 1 1 20 THR MG . 20 . HG2# 1 1 206 1 2 1 1 24 GLU H . 24 . HN 1 1 207 1 1 1 1 21 GLY HA3 . 21 . HA1 1 1 207 1 2 1 1 30 ARG HB3 . 30 . HB1 1 1 208 1 1 1 1 21 GLY HA3 . 21 . HA1 1 1 208 1 2 1 1 30 ARG HB2 . 30 . HB2 1 1 209 1 1 1 1 21 GLY HA3 . 21 . HA1 1 1 209 1 2 1 1 30 ARG QD . 30 . HD# 1 1 210 1 1 1 1 7 TRP HZ2 . 7 . HZ2 1 1 210 1 2 1 1 21 GLY HA3 . 21 . HA1 1 1 211 1 1 1 1 22 HIS H . 22 . HN 1 1 211 1 2 1 1 22 HIS HB2 . 22 . HB2 1 1 212 1 1 1 1 22 HIS H . 22 . HN 1 1 212 1 2 1 1 22 HIS HD2 . 22 . HD2 1 1 213 1 1 1 1 22 HIS H . 22 . HN 1 1 213 1 2 1 1 23 CYS H . 23 . HN 1 1 214 1 1 1 1 22 HIS HA . 22 . HA 1 1 214 1 2 1 1 22 HIS HB3 . 22 . HB1 1 1 215 1 1 1 1 22 HIS HA . 22 . HA 1 1 215 1 2 1 1 23 CYS H . 23 . HN 1 1 216 1 1 1 1 22 HIS HA . 22 . HA 1 1 216 1 2 1 1 28 LEU H . 28 . HN 1 1 217 1 1 1 1 22 HIS HA . 22 . HA 1 1 217 1 2 1 1 29 PRO HA . 29 . HA 1 1 218 1 1 1 1 22 HIS HA . 22 . HA 1 1 218 1 2 1 1 30 ARG H . 30 . HN 1 1 219 1 1 1 1 22 HIS HB3 . 22 . HB1 1 1 219 1 2 1 1 23 CYS H . 23 . HN 1 1 220 1 1 1 1 22 HIS HB3 . 22 . HB1 1 1 220 1 2 1 1 29 PRO HA . 29 . HA 1 1 221 1 1 1 1 22 HIS HB3 . 22 . HB1 1 1 221 1 2 1 1 30 ARG H . 30 . HN 1 1 222 1 1 1 1 22 HIS HB2 . 22 . HB2 1 1 222 1 2 1 1 23 CYS H . 23 . HN 1 1 223 1 1 1 1 22 HIS HB2 . 22 . HB2 1 1 223 1 2 1 1 29 PRO HA . 29 . HA 1 1 224 1 1 1 1 22 HIS HD2 . 22 . HD2 1 1 224 1 2 1 1 27 SER HA . 27 . HA 1 1 225 1 1 1 1 22 HIS HD2 . 22 . HD2 1 1 225 1 2 1 1 29 PRO HA . 29 . HA 1 1 226 1 1 1 1 22 HIS HD2 . 22 . HD2 1 1 226 1 2 1 1 29 PRO QD . 29 . HD# 1 1 227 1 1 1 1 23 CYS H . 23 . HN 1 1 227 1 2 1 1 23 CYS HB3 . 23 . HB1 1 1 228 1 1 1 1 23 CYS H . 23 . HN 1 1 228 1 2 1 1 23 CYS HB2 . 23 . HB2 1 1 229 1 1 1 1 23 CYS H . 23 . HN 1 1 229 1 2 1 1 24 GLU H . 24 . HN 1 1 230 1 1 1 1 23 CYS H . 23 . HN 1 1 230 1 2 1 1 27 SER H . 27 . HN 1 1 231 1 1 1 1 23 CYS H . 23 . HN 1 1 231 1 2 1 1 28 LEU H . 28 . HN 1 1 232 1 1 1 1 23 CYS HA . 23 . HA 1 1 232 1 2 1 1 24 GLU H . 24 . HN 1 1 233 1 1 1 1 23 CYS HA . 23 . HA 1 1 233 1 2 1 1 24 GLU HA . 24 . HA 1 1 234 1 1 1 1 23 CYS HA . 23 . HA 1 1 234 1 2 1 1 25 MET H . 25 . HN 1 1 235 1 1 1 1 23 CYS HB3 . 23 . HB1 1 1 235 1 2 1 1 24 GLU H . 24 . HN 1 1 236 1 1 1 1 23 CYS HB3 . 23 . HB1 1 1 236 1 2 1 1 26 CYS H . 26 . HN 1 1 237 1 1 1 1 23 CYS HB3 . 23 . HB1 1 1 237 1 2 1 1 27 SER H . 27 . HN 1 1 238 1 1 1 1 23 CYS HB3 . 23 . HB1 1 1 238 1 2 1 1 28 LEU H . 28 . HN 1 1 239 1 1 1 1 23 CYS HB2 . 23 . HB2 1 1 239 1 2 1 1 24 GLU H . 24 . HN 1 1 240 1 1 1 1 23 CYS HB2 . 23 . HB2 1 1 240 1 2 1 1 25 MET H . 25 . HN 1 1 241 1 1 1 1 23 CYS HB2 . 23 . HB2 1 1 241 1 2 1 1 26 CYS H . 26 . HN 1 1 242 1 1 1 1 23 CYS HB2 . 23 . HB2 1 1 242 1 2 1 1 27 SER H . 27 . HN 1 1 243 1 1 1 1 23 CYS HB2 . 23 . HB2 1 1 243 1 2 1 1 28 LEU H . 28 . HN 1 1 244 1 1 1 1 24 GLU H . 24 . HN 1 1 244 1 2 1 1 24 GLU HB3 . 24 . HB1 1 1 245 1 1 1 1 24 GLU H . 24 . HN 1 1 245 1 2 1 1 24 GLU HB2 . 24 . HB2 1 1 246 1 1 1 1 24 GLU H . 24 . HN 1 1 246 1 2 1 1 24 GLU HG3 . 24 . HG1 1 1 247 1 1 1 1 24 GLU H . 24 . HN 1 1 247 1 2 1 1 24 GLU HG2 . 24 . HG2 1 1 248 1 1 1 1 24 GLU H . 24 . HN 1 1 248 1 2 1 1 24 GLU QG . 24 . HG# 1 1 249 1 1 1 1 24 GLU H . 24 . HN 1 1 249 1 2 1 1 25 MET H . 25 . HN 1 1 250 1 1 1 1 24 GLU H . 24 . HN 1 1 250 1 2 1 1 25 MET QB . 25 . HB# 1 1 251 1 1 1 1 24 GLU H . 24 . HN 1 1 251 1 2 1 1 26 CYS H . 26 . HN 1 1 252 1 1 1 1 24 GLU HA . 24 . HA 1 1 252 1 2 1 1 24 GLU HB2 . 24 . HB2 1 1 253 1 1 1 1 24 GLU HB3 . 24 . HB1 1 1 253 1 2 1 1 25 MET H . 25 . HN 1 1 254 1 1 1 1 24 GLU HB2 . 24 . HB2 1 1 254 1 2 1 1 25 MET H . 25 . HN 1 1 255 1 1 1 1 24 GLU QG . 24 . HG# 1 1 255 1 2 1 1 25 MET H . 25 . HN 1 1 256 1 1 1 1 25 MET H . 25 . HN 1 1 256 1 2 1 1 25 MET QB . 25 . HB# 1 1 257 1 1 1 1 25 MET H . 25 . HN 1 1 257 1 2 1 1 25 MET HG3 . 25 . HG1 1 1 258 1 1 1 1 25 MET H . 25 . HN 1 1 258 1 2 1 1 25 MET HG2 . 25 . HG2 1 1 259 1 1 1 1 25 MET H . 25 . HN 1 1 259 1 2 1 1 25 MET QG . 25 . HG# 1 1 260 1 1 1 1 25 MET H . 25 . HN 1 1 260 1 2 1 1 26 CYS H . 26 . HN 1 1 261 1 1 1 1 25 MET H . 25 . HN 1 1 261 1 2 1 1 26 CYS HB2 . 26 . HB2 1 1 262 1 1 1 1 25 MET H . 25 . HN 1 1 262 1 2 1 1 27 SER H . 27 . HN 1 1 263 1 1 1 1 25 MET QB . 25 . HB# 1 1 263 1 2 1 1 26 CYS H . 26 . HN 1 1 264 1 1 1 1 25 MET QG . 25 . HG# 1 1 264 1 2 1 1 26 CYS H . 26 . HN 1 1 265 1 1 1 1 26 CYS H . 26 . HN 1 1 265 1 2 1 1 26 CYS HB2 . 26 . HB2 1 1 266 1 1 1 1 26 CYS H . 26 . HN 1 1 266 1 2 1 1 27 SER H . 27 . HN 1 1 267 1 1 1 1 26 CYS H . 26 . HN 1 1 267 1 2 1 1 28 LEU H . 28 . HN 1 1 268 1 1 1 1 26 CYS HA . 26 . HA 1 1 268 1 2 1 1 26 CYS HB3 . 26 . HB1 1 1 269 1 1 1 1 26 CYS HA . 26 . HA 1 1 269 1 2 1 1 26 CYS HB2 . 26 . HB2 1 1 270 1 1 1 1 26 CYS HB2 . 26 . HB2 1 1 270 1 2 1 1 27 SER H . 27 . HN 1 1 271 1 1 1 1 27 SER H . 27 . HN 1 1 271 1 2 1 1 27 SER HA . 27 . HA 1 1 272 1 1 1 1 27 SER H . 27 . HN 1 1 272 1 2 1 1 27 SER HB3 . 27 . HB1 1 1 273 1 1 1 1 27 SER H . 27 . HN 1 1 273 1 2 1 1 27 SER HB2 . 27 . HB2 1 1 274 1 1 1 1 27 SER H . 27 . HN 1 1 274 1 2 1 1 28 LEU H . 28 . HN 1 1 275 1 1 1 1 27 SER H . 27 . HN 1 1 275 1 2 1 1 28 LEU HB3 . 28 . HB1 1 1 276 1 1 1 1 27 SER HA . 27 . HA 1 1 276 1 2 1 1 27 SER QB . 27 . HB# 1 1 277 1 1 1 1 27 SER QB . 27 . HB# 1 1 277 1 2 1 1 28 LEU H . 28 . HN 1 1 278 1 1 1 1 28 LEU H . 28 . HN 1 1 278 1 2 1 1 28 LEU HB3 . 28 . HB1 1 1 279 1 1 1 1 28 LEU H . 28 . HN 1 1 279 1 2 1 1 28 LEU HB2 . 28 . HB2 1 1 280 1 1 1 1 28 LEU H . 28 . HN 1 1 280 1 2 1 1 28 LEU HG . 28 . HG 1 1 281 1 1 1 1 28 LEU H . 28 . HN 1 1 281 1 2 1 1 28 LEU MD1 . 28 . HD1# 1 1 282 1 1 1 1 28 LEU H . 28 . HN 1 1 282 1 2 1 1 28 LEU MD2 . 28 . HD2# 1 1 283 1 1 1 1 28 LEU H . 28 . HN 1 1 283 1 2 1 1 28 LEU QD . 28 . HD## 1 1 284 1 1 1 1 28 LEU H . 28 . HN 1 1 284 1 2 1 1 29 PRO QD . 29 . HD# 1 1 285 1 1 1 1 28 LEU HA . 28 . HA 1 1 285 1 2 1 1 29 PRO HD3 . 29 . HD1 1 1 286 1 1 1 1 28 LEU HA . 28 . HA 1 1 286 1 2 1 1 29 PRO HD2 . 29 . HD2 1 1 287 1 1 1 1 28 LEU HA . 28 . HA 1 1 287 1 2 1 1 29 PRO QD . 29 . HD# 1 1 288 1 1 1 1 28 LEU HB2 . 28 . HB2 1 1 288 1 2 1 1 29 PRO HD3 . 29 . HD1 1 1 289 1 1 1 1 28 LEU HB2 . 28 . HB2 1 1 289 1 2 1 1 29 PRO HD2 . 29 . HD2 1 1 290 1 1 1 1 28 LEU HB2 . 28 . HB2 1 1 290 1 2 1 1 29 PRO QD . 29 . HD# 1 1 291 1 1 1 1 28 LEU QD . 28 . HD## 1 1 291 1 2 1 1 29 PRO QD . 29 . HD# 1 1 292 1 1 1 1 29 PRO HA . 29 . HA 1 1 292 1 2 1 1 30 ARG H . 30 . HN 1 1 293 1 1 1 1 29 PRO QB . 29 . HB# 1 1 293 1 2 1 1 30 ARG H . 30 . HN 1 1 294 1 1 1 1 29 PRO QB . 29 . HB# 1 1 294 1 2 1 1 31 THR H . 31 . HN 1 1 295 1 1 1 1 30 ARG H . 30 . HN 1 1 295 1 2 1 1 30 ARG HB3 . 30 . HB1 1 1 296 1 1 1 1 30 ARG H . 30 . HN 1 1 296 1 2 1 1 30 ARG HB2 . 30 . HB2 1 1 297 1 1 1 1 30 ARG H . 30 . HN 1 1 297 1 2 1 1 30 ARG QG . 30 . HG# 1 1 298 1 1 1 1 30 ARG H . 30 . HN 1 1 298 1 2 1 1 30 ARG QD . 30 . HD# 1 1 299 1 1 1 1 30 ARG H . 30 . HN 1 1 299 1 2 1 1 31 THR HB . 31 . HB 1 1 300 1 1 1 1 30 ARG HA . 30 . HA 1 1 300 1 2 1 1 30 ARG HB3 . 30 . HB1 1 1 301 1 1 1 1 30 ARG HA . 30 . HA 1 1 301 1 2 1 1 30 ARG QG . 30 . HG# 1 1 302 1 1 1 1 30 ARG HA . 30 . HA 1 1 302 1 2 1 1 31 THR H . 31 . HN 1 1 303 1 1 1 1 30 ARG HA . 30 . HA 1 1 303 1 2 1 1 31 THR HA . 31 . HA 1 1 304 1 1 1 1 30 ARG HB3 . 30 . HB1 1 1 304 1 2 1 1 30 ARG QD . 30 . HD# 1 1 305 1 1 1 1 30 ARG HB3 . 30 . HB1 1 1 305 1 2 1 1 31 THR H . 31 . HN 1 1 306 1 1 1 1 30 ARG HB2 . 30 . HB2 1 1 306 1 2 1 1 31 THR H . 31 . HN 1 1 307 1 1 1 1 30 ARG QG . 30 . HG# 1 1 307 1 2 1 1 31 THR H . 31 . HN 1 1 308 1 1 1 1 30 ARG QD . 30 . HD# 1 1 308 1 2 1 1 31 THR H . 31 . HN 1 1 309 1 1 1 1 31 THR H . 31 . HN 1 1 309 1 2 1 1 31 THR HB . 31 . HB 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 3.2 1.8 4.6 1 1 2 1 . . . . . 4.3 1.8 6.8 1 1 3 1 . . . . . 2.3 1.8 2.8 1 1 4 1 . . . . . 4.4 1.8 7.0 1 1 5 1 . . . . . 2.5 1.8 3.5 1 1 6 1 . . . . . 2.8 1.8 3.8 1 1 7 1 . . . . . 3.2 1.8 4.6 1 1 8 1 . . . . . 3.2 1.8 4.6 1 1 9 1 . . . . . 2.9 1.8 4.0 1 1 10 1 . . . . . 3.2 1.8 4.6 1 1 11 1 . . . . . 3.9 1.8 6.0 1 1 12 1 . . . . . 3.9 1.8 6.0 1 1 13 1 . . . . . 2.4 1.8 3.0 1 1 14 1 . . . . . 2.9 1.8 4.0 1 1 15 1 . . . . . 2.2 1.8 2.6 1 1 16 1 . . . . . 3.1 1.8 4.4 1 1 17 1 . . . . . 3.1 1.8 4.4 1 1 18 1 . . . . . 3.0 1.8 4.2 1 1 19 1 . . . . . 2.9 1.8 4.0 1 1 20 1 . . . . . 3.9 1.8 6.0 1 1 21 1 . . . . . 3.9 1.8 6.0 1 1 22 1 . . . . . 2.6 1.8 3.4 1 1 23 1 . . . . . 3.9 1.8 6.0 1 1 24 1 . . . . . 4.6 1.8 7.4 1 1 25 1 . . . . . 4.6 1.8 7.4 1 1 26 1 . . . . . 3.9 1.8 6.0 1 1 27 1 . . . . . 4.6 1.8 7.4 1 1 28 1 . . . . . 4.6 1.8 7.4 1 1 29 1 . . . . . 4.3 1.8 6.8 1 1 30 1 . . . . . 3.6 1.8 5.4 1 1 31 1 . . . . . 3.9 1.8 6.0 1 1 32 1 . . . . . 2.9 1.8 4.0 1 1 33 1 . . . . . 3.1 1.8 4.4 1 1 34 1 . . . . . 3.9 1.8 6.0 1 1 35 1 . . . . . 3.5 1.8 5.2 1 1 36 1 . . . . . 2.8 1.8 3.8 1 1 37 1 . . . . . 3.6 1.8 5.4 1 1 38 1 . . . . . 4.3 1.8 6.8 1 1 39 1 . . . . . 2.3 1.8 2.8 1 1 40 1 . . . . . 2.3 1.8 2.8 1 1 41 1 . . . . . 2.2 1.8 2.6 1 1 42 1 . . . . . 2.7 1.8 3.6 1 1 43 1 . . . . . 3.0 1.8 4.2 1 1 44 1 . . . . . 2.5 1.8 3.2 1 1 45 1 . . . . . 2.9 1.8 4.0 1 1 46 1 . . . . . 3.8 1.8 5.8 1 1 47 1 . . . . . 3.3 1.8 4.8 1 1 48 1 . . . . . 3.4 1.8 5.0 1 1 49 1 . . . . . 3.0 1.8 4.2 1 1 50 1 . . . . . 3.9 1.8 6.0 1 1 51 1 . . . . . 3.2 1.8 4.6 1 1 52 1 . . . . . 4.3 1.8 6.8 1 1 53 1 . . . . . 3.2 1.8 4.6 1 1 54 1 . . . . . 3.8 1.8 5.8 1 1 55 1 . . . . . 3.9 1.8 6.0 1 1 56 1 . . . . . 3.9 1.8 6.0 1 1 57 1 . . . . . 3.9 1.8 6.0 1 1 58 1 . . . . . 3.9 1.8 6.0 1 1 59 1 . . . . . 3.8 1.8 5.8 1 1 60 1 . . . . . 3.8 1.8 5.8 1 1 61 1 . . . . . 3.7 1.8 5.6 1 1 62 1 . . . . . 4.1 1.8 6.4 1 1 63 1 . . . . . 3.9 1.8 6.0 1 1 64 1 . . . . . 3.0 1.8 4.2 1 1 65 1 . . . . . 3.4 1.8 5.0 1 1 66 1 . . . . . 3.0 1.8 4.2 1 1 67 1 . . . . . 3.0 1.8 4.2 1 1 68 1 . . . . . 3.7 1.8 5.6 1 1 69 1 . . . . . 5.1 1.8 8.4 1 1 70 1 . . . . . 3.7 1.8 5.6 1 1 71 1 . . . . . 2.1 1.8 2.4 1 1 72 1 . . . . . 2.2 1.8 2.6 1 1 73 1 . . . . . 2.3 1.8 2.8 1 1 74 1 . . . . . 2.3 1.8 2.8 1 1 75 1 . . . . . 2.4 1.8 3.0 1 1 76 1 . . . . . 3.5 1.8 5.2 1 1 77 1 . . . . . 3.6 1.8 5.4 1 1 78 1 . . . . . 3.2 1.8 4.6 1 1 79 1 . . . . . 3.0 1.8 4.2 1 1 80 1 . . . . . 3.9 1.8 6.0 1 1 81 1 . . . . . 3.5 1.8 5.2 1 1 82 1 . . . . . 3.9 1.8 6.0 1 1 83 1 . . . . . 4.3 1.8 6.8 1 1 84 1 . . . . . 2.4 1.8 3.0 1 1 85 1 . . . . . 2.3 1.8 2.8 1 1 86 1 . . . . . 3.7 1.8 5.6 1 1 87 1 . . . . . 2.6 1.8 3.4 1 1 88 1 . . . . . 3.3 1.8 4.8 1 1 89 1 . . . . . 3.3 1.8 4.8 1 1 90 1 . . . . . 3.1 1.8 4.4 1 1 91 1 . . . . . 3.0 1.8 4.2 1 1 92 1 . . . . . 3.7 1.8 5.6 1 1 93 1 . . . . . 3.5 1.8 5.2 1 1 94 1 . . . . . 2.7 1.8 3.6 1 1 95 1 . . . . . 3.5 1.8 5.2 1 1 96 1 . . . . . 4.3 1.8 6.8 1 1 97 1 . . . . . 2.7 1.8 3.6 1 1 98 1 . . . . . 3.5 1.8 5.2 1 1 99 1 . . . . . 3.1 1.8 4.4 1 1 100 1 . . . . . 3.6 1.8 5.4 1 1 101 1 . . . . . 3.2 1.8 4.6 1 1 102 1 . . . . . 3.9 1.8 6.0 1 1 103 1 . . . . . 3.9 1.8 6.0 1 1 104 1 . . . . . 4.3 1.8 6.8 1 1 105 1 . . . . . 2.5 1.8 3.2 1 1 106 1 . . . . . 3.6 1.8 5.4 1 1 107 1 . . . . . 3.6 1.8 5.4 1 1 108 1 . . . . . 3.0 1.8 4.2 1 1 109 1 . . . . . 3.6 1.8 5.4 1 1 110 1 . . . . . 4.4 1.8 7.0 1 1 111 1 . . . . . 3.4 1.8 5.0 1 1 112 1 . . . . . 3.1 1.8 4.4 1 1 113 1 . . . . . 2.7 1.8 3.6 1 1 114 1 . . . . . 2.6 1.8 3.4 1 1 115 1 . . . . . 2.4 1.8 3.0 1 1 116 1 . . . . . 3.1 1.8 4.4 1 1 117 1 . . . . . 4.4 1.8 7.0 1 1 118 1 . . . . . 3.1 1.8 4.4 1 1 119 1 . . . . . 2.2 1.8 2.6 1 1 120 1 . . . . . 2.3 1.8 2.8 1 1 121 1 . . . . . 3.9 1.8 6.0 1 1 122 1 . . . . . 3.4 1.8 5.0 1 1 123 1 . . . . . 3.1 1.8 4.4 1 1 124 1 . . . . . 3.3 1.8 4.8 1 1 125 1 . . . . . 2.2 1.8 2.6 1 1 126 1 . . . . . 2.8 1.8 3.8 1 1 127 1 . . . . . 2.7 1.8 3.6 1 1 128 1 . . . . . 4.0 1.8 6.2 1 1 129 1 . . . . . 2.2 1.8 2.6 1 1 130 1 . . . . . 4.4 1.8 7.0 1 1 131 1 . . . . . 2.3 1.8 2.8 1 1 132 1 . . . . . 2.4 1.8 3.0 1 1 133 1 . . . . . 3.1 1.8 4.4 1 1 134 1 . . . . . 3.4 1.8 5.0 1 1 135 1 . . . . . 2.4 1.8 3.0 1 1 136 1 . . . . . 2.2 1.8 2.6 1 1 137 1 . . . . . 3.2 1.8 4.6 1 1 138 1 . . . . . 2.8 1.8 3.8 1 1 139 1 . . . . . 2.6 1.8 3.7 1 1 140 1 . . . . . 4.3 1.8 6.8 1 1 141 1 . . . . . 5.0 1.8 8.2 1 1 142 1 . . . . . 5.4 1.8 9.0 1 1 143 1 . . . . . 5.0 1.8 8.2 1 1 144 1 . . . . . 5.0 1.8 8.2 1 1 145 1 . . . . . 5.0 1.8 8.2 1 1 146 1 . . . . . 5.0 1.8 8.2 1 1 147 1 . . . . . 4.6 1.8 7.4 1 1 148 1 . . . . . 5.0 1.8 8.2 1 1 149 1 . . . . . 5.0 1.8 8.2 1 1 150 1 . . . . . 4.9 1.8 8.0 1 1 151 1 . . . . . 5.0 1.8 8.2 1 1 152 1 . . . . . 5.0 1.8 8.2 1 1 153 1 . . . . . 2.5 1.8 3.2 1 1 154 1 . . . . . 2.7 1.8 3.6 1 1 155 1 . . . . . 3.9 1.8 6.0 1 1 156 1 . . . . . 3.2 1.7 4.7 1 1 157 1 . . . . . 2.1 1.8 2.4 1 1 158 1 . . . . . 3.1 1.8 4.7 1 1 159 1 . . . . . 3.4 1.8 5.0 1 1 160 1 . . . . . 3.1 1.8 4.4 1 1 161 1 . . . . . 4.3 1.8 6.8 1 1 162 1 . . . . . 2.4 1.8 3.0 1 1 163 1 . . . . . 2.4 1.8 3.0 1 1 164 1 . . . . . 2.5 1.8 3.2 1 1 165 1 . . . . . 4.3 1.8 6.8 1 1 166 1 . . . . . 3.5 1.8 5.2 1 1 167 1 . . . . . 2.2 1.8 2.6 1 1 168 1 . . . . . 3.0 1.8 4.2 1 1 169 1 . . . . . 3.4 1.8 5.0 1 1 170 1 . . . . . 4.1 1.8 6.4 1 1 171 1 . . . . . 4.3 1.8 6.8 1 1 172 1 . . . . . 4.3 1.8 6.8 1 1 173 1 . . . . . 2.5 1.8 3.5 1 1 174 1 . . . . . 2.9 1.8 4.0 1 1 175 1 . . . . . 2.8 1.8 3.8 1 1 176 1 . . . . . 2.8 1.8 3.8 1 1 177 1 . . . . . 2.7 1.8 3.6 1 1 178 1 . . . . . 4.3 1.8 6.8 1 1 179 1 . . . . . 3.9 1.8 6.0 1 1 180 1 . . . . . 3.9 1.8 6.0 1 1 181 1 . . . . . 4.0 1.8 6.2 1 1 182 1 . . . . . 2.3 1.8 2.8 1 1 183 1 . . . . . 3.9 1.8 6.0 1 1 184 1 . . . . . 3.9 1.8 6.0 1 1 185 1 . . . . . 2.2 1.8 2.6 1 1 186 1 . . . . . 3.9 1.8 6.0 1 1 187 1 . . . . . 3.1 1.8 4.4 1 1 188 1 . . . . . 2.2 1.8 2.6 1 1 189 1 . . . . . 3.9 1.8 6.0 1 1 190 1 . . . . . 3.9 1.8 6.0 1 1 191 1 . . . . . 3.2 1.8 4.6 1 1 192 1 . . . . . 3.5 1.8 5.2 1 1 193 1 . . . . . 4.3 1.8 6.8 1 1 194 1 . . . . . 3.1 1.8 4.4 1 1 195 1 . . . . . 3.6 1.8 5.4 1 1 196 1 . . . . . 2.9 1.7 4.1 1 1 197 1 . . . . . 2.8 1.8 3.8 1 1 198 1 . . . . . 2.7 1.8 3.6 1 1 199 1 . . . . . 3.3 1.8 4.8 1 1 200 1 . . . . . 2.3 1.8 2.8 1 1 201 1 . . . . . 3.4 1.8 5.0 1 1 202 1 . . . . . 3.5 1.8 5.2 1 1 203 1 . . . . . 2.8 1.8 3.8 1 1 204 1 . . . . . 2.9 1.8 4.0 1 1 205 1 . . . . . 3.9 1.8 6.0 1 1 206 1 . . . . . 4.4 1.8 7.0 1 1 207 1 . . . . . 3.9 1.8 6.0 1 1 208 1 . . . . . 4.3 1.8 6.8 1 1 209 1 . . . . . 4.8 1.8 7.8 1 1 210 1 . . . . . 3.1 1.8 4.4 1 1 211 1 . . . . . 2.8 1.8 3.8 1 1 212 1 . . . . . 3.6 1.8 5.4 1 1 213 1 . . . . . 3.3 1.8 4.8 1 1 214 1 . . . . . 2.4 1.8 3.0 1 1 215 1 . . . . . 2.7 1.8 3.6 1 1 216 1 . . . . . 3.5 1.8 5.2 1 1 217 1 . . . . . 2.1 1.8 2.4 1 1 218 1 . . . . . 2.6 1.8 3.4 1 1 219 1 . . . . . 2.7 1.8 3.6 1 1 220 1 . . . . . 3.0 1.8 4.2 1 1 221 1 . . . . . 3.9 1.8 6.0 1 1 222 1 . . . . . 2.7 1.8 3.6 1 1 223 1 . . . . . 3.2 1.7 4.7 1 1 224 1 . . . . . 3.2 1.8 4.6 1 1 225 1 . . . . . 3.0 1.8 4.2 1 1 226 1 . . . . . 3.7 1.8 5.6 1 1 227 1 . . . . . 2.7 1.8 3.6 1 1 228 1 . . . . . 2.5 1.8 3.2 1 1 229 1 . . . . . 3.5 1.8 5.2 1 1 230 1 . . . . . 3.1 1.8 4.4 1 1 231 1 . . . . . 3.0 1.8 4.2 1 1 232 1 . . . . . 2.2 1.8 2.6 1 1 233 1 . . . . . 3.1 1.8 4.4 1 1 234 1 . . . . . 3.3 1.8 4.8 1 1 235 1 . . . . . 3.1 1.8 4.4 1 1 236 1 . . . . . 3.1 1.8 4.4 1 1 237 1 . . . . . 2.9 1.8 4.0 1 1 238 1 . . . . . 3.4 1.8 5.0 1 1 239 1 . . . . . 3.3 1.8 4.8 1 1 240 1 . . . . . 3.2 1.8 4.6 1 1 241 1 . . . . . 2.8 1.8 3.8 1 1 242 1 . . . . . 2.5 1.8 3.2 1 1 243 1 . . . . . 2.8 1.8 3.8 1 1 244 1 . . . . . 2.6 1.8 3.4 1 1 245 1 . . . . . 2.5 1.8 3.2 1 1 246 1 . . . . . 3.6 1.8 5.4 1 1 247 1 . . . . . 3.6 1.8 5.4 1 1 248 1 . . . . . 3.1 1.8 4.4 1 1 249 1 . . . . . 2.6 1.8 3.4 1 1 250 1 . . . . . 3.8 1.8 5.8 1 1 251 1 . . . . . 3.4 1.8 5.0 1 1 252 1 . . . . . 2.4 1.9 2.9 1 1 253 1 . . . . . 3.1 1.8 4.4 1 1 254 1 . . . . . 3.1 1.8 4.4 1 1 255 1 . . . . . 4.3 1.8 6.8 1 1 256 1 . . . . . 2.6 1.8 3.4 1 1 257 1 . . . . . 3.6 1.8 5.4 1 1 258 1 . . . . . 3.6 1.8 5.4 1 1 259 1 . . . . . 3.5 1.8 5.2 1 1 260 1 . . . . . 2.5 1.8 3.2 1 1 261 1 . . . . . 3.5 1.8 5.5 1 1 262 1 . . . . . 2.9 1.8 4.0 1 1 263 1 . . . . . 2.7 1.8 3.6 1 1 264 1 . . . . . 4.3 1.8 6.8 1 1 265 1 . . . . . 2.6 1.8 3.4 1 1 266 1 . . . . . 2.4 1.8 3.0 1 1 267 1 . . . . . 3.3 1.8 4.8 1 1 268 1 . . . . . 2.2 1.8 2.6 1 1 269 1 . . . . . 2.3 1.8 2.8 1 1 270 1 . . . . . 3.3 1.8 4.8 1 1 271 1 . . . . . 2.3 1.8 2.8 1 1 272 1 . . . . . 3.0 1.8 4.2 1 1 273 1 . . . . . 3.0 1.8 4.2 1 1 274 1 . . . . . 2.7 1.8 3.6 1 1 275 1 . . . . . 3.3 1.8 5.1 1 1 276 1 . . . . . 2.2 1.8 2.6 1 1 277 1 . . . . . 3.0 1.8 4.2 1 1 278 1 . . . . . 2.4 1.8 3.3 1 1 279 1 . . . . . 2.8 1.8 3.8 1 1 280 1 . . . . . 2.7 1.8 3.6 1 1 281 1 . . . . . 4.2 1.8 6.6 1 1 282 1 . . . . . 4.2 1.8 6.6 1 1 283 1 . . . . . 4.1 1.8 6.4 1 1 284 1 . . . . . 4.3 1.8 6.8 1 1 285 1 . . . . . 2.3 1.8 2.8 1 1 286 1 . . . . . 2.3 1.8 2.8 1 1 287 1 . . . . . 2.2 1.8 2.6 1 1 288 1 . . . . . 3.1 1.8 4.4 1 1 289 1 . . . . . 3.1 1.8 4.4 1 1 290 1 . . . . . 2.8 1.8 3.8 1 1 291 1 . . . . . 4.3 1.8 6.8 1 1 292 1 . . . . . 2.2 1.8 2.6 1 1 293 1 . . . . . 2.9 1.8 4.0 1 1 294 1 . . . . . 3.5 1.8 5.2 1 1 295 1 . . . . . 2.4 1.8 3.0 1 1 296 1 . . . . . 2.4 1.8 3.0 1 1 297 1 . . . . . 3.7 1.8 5.6 1 1 298 1 . . . . . 3.6 1.8 5.4 1 1 299 1 . . . . . 3.2 1.8 4.6 1 1 300 1 . . . . . 2.4 1.8 3.0 1 1 301 1 . . . . . 2.8 1.8 3.8 1 1 302 1 . . . . . 2.5 1.8 3.2 1 1 303 1 . . . . . 3.1 1.8 4.4 1 1 304 1 . . . . . 2.9 1.8 4.0 1 1 305 1 . . . . . 3.2 1.8 4.6 1 1 306 1 . . . . . 2.8 1.8 3.8 1 1 307 1 . . . . . 3.5 1.8 5.2 1 1 308 1 . . . . . 4.3 1.8 6.8 1 1 309 1 . . . . . 2.8 1.8 3.8 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_6_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "general distance" _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 2 2 1 . . . 1 2 3 1 . . . 1 2 4 1 . . . 1 2 5 1 . . . 1 2 6 1 . . . 1 2 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 9 CYS SG . 9 . SG 1 2 1 1 2 1 1 12 CYS SG . 12 . SG 1 2 2 1 1 1 1 9 CYS SG . 9 . SG 1 2 2 1 2 1 1 23 CYS SG . 23 . SG 1 2 3 1 1 1 1 9 CYS SG . 9 . SG 1 2 3 1 2 1 1 26 CYS SG . 26 . SG 1 2 4 1 1 1 1 12 CYS SG . 12 . SG 1 2 4 1 2 1 1 23 CYS SG . 23 . SG 1 2 5 1 1 1 1 12 CYS SG . 12 . SG 1 2 5 1 2 1 1 26 CYS SG . 26 . SG 1 2 6 1 1 1 1 23 CYS SG . 23 . SG 1 2 6 1 2 1 1 26 CYS SG . 26 . SG 1 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 3.96 3.78 4.14 1 2 2 1 . . . . . 3.96 3.78 4.14 1 2 3 1 . . . . . 3.96 3.78 4.14 1 2 4 1 . . . . . 3.96 3.78 4.14 1 2 5 1 . . . . . 3.96 3.78 4.14 1 2 6 1 . . . . . 3.96 3.78 4.14 1 2 stop_ save_ save_CNS/XPLOR_distance_constraints_4_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 3 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 3 2 1 . . . 1 3 3 1 . . . 1 3 4 1 . . . 1 3 5 1 . . . 1 3 6 1 . . . 1 3 7 1 . . . 1 3 8 1 . . . 1 3 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 9 CYS N . 9 . N 1 3 1 1 2 1 1 14 PHE O . 14 . O 1 3 2 1 1 1 1 9 CYS H . 9 . HN 1 3 2 1 2 1 1 14 PHE O . 14 . O 1 3 3 1 1 1 1 7 TRP O . 7 . O 1 3 3 1 2 1 1 16 ASN N . 16 . N 1 3 4 1 1 1 1 7 TRP O . 7 . O 1 3 4 1 2 1 1 16 ASN H . 16 . HN 1 3 5 1 1 1 1 17 GLN O . 17 . O 1 3 5 1 2 1 1 20 THR N . 20 . N 1 3 6 1 1 1 1 17 GLN O . 17 . O 1 3 6 1 2 1 1 20 THR H . 20 . HN 1 3 7 1 1 1 1 19 GLY O . 19 . O 1 3 7 1 2 1 1 21 GLY N . 21 . N 1 3 8 1 1 1 1 19 GLY O . 19 . O 1 3 8 1 2 1 1 21 GLY H . 21 . HN 1 3 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.8 2.4 3.7 1 3 2 1 . . . . . 1.8 1.4 2.7 1 3 3 1 . . . . . 2.8 2.4 3.7 1 3 4 1 . . . . . 1.8 1.4 2.7 1 3 5 1 . . . . . 2.8 2.4 3.7 1 3 6 1 . . . . . 1.8 1.4 2.7 1 3 7 1 . . . . . 2.8 2.4 3.7 1 3 8 1 . . . . . 1.8 1.4 2.7 1 3 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 GLY C C -15.082 5.381 -5.474 1.00 . A A . 1 GLY C 1 1 1 2 1 1 1 GLY CA C -14.053 5.875 -6.472 1.00 . A A . 1 GLY CA 1 1 1 3 1 1 1 GLY H1 H -12.006 5.743 -6.870 1.00 . A A . 1 GLY H1 1 1 1 4 1 1 1 GLY H2 H -12.694 4.296 -6.327 1.00 . A A . 1 GLY H2 1 1 1 5 1 1 1 GLY H3 H -12.401 5.553 -5.235 1.00 . A A . 1 GLY H3 1 1 1 6 1 1 1 GLY HA2 H -14.011 6.954 -6.424 1.00 . A A . 1 GLY HA2 1 1 1 7 1 1 1 GLY HA3 H -14.360 5.582 -7.464 1.00 . A A . 1 GLY HA3 1 1 1 8 1 1 1 GLY N N -12.693 5.329 -6.208 1.00 . A A . 1 GLY N 1 1 1 9 1 1 1 GLY O O -15.844 4.459 -5.764 1.00 . A A . 1 GLY O 1 1 1 10 1 1 2 SER C C -15.844 4.156 -2.844 1.00 . A A . 2 SER C 1 1 1 11 1 1 2 SER CA C -16.046 5.612 -3.252 1.00 . A A . 2 SER CA 1 1 1 12 1 1 2 SER CB C -17.483 5.825 -3.730 1.00 . A A . 2 SER CB 1 1 1 13 1 1 2 SER H H -14.471 6.724 -4.125 1.00 . A A . 2 SER H 1 1 1 14 1 1 2 SER HA H -15.864 6.242 -2.394 1.00 . A A . 2 SER HA 1 1 1 15 1 1 2 SER HB2 H -17.642 6.875 -3.930 1.00 . A A . 2 SER HB2 1 1 1 16 1 1 2 SER HB3 H -17.647 5.258 -4.634 1.00 . A A . 2 SER HB3 1 1 1 17 1 1 2 SER HG H -18.481 6.067 -2.062 1.00 . A A . 2 SER HG 1 1 1 18 1 1 2 SER N N -15.103 5.995 -4.296 1.00 . A A . 2 SER N 1 1 1 19 1 1 2 SER O O -16.525 3.261 -3.344 1.00 . A A . 2 SER O 1 1 1 20 1 1 2 SER OG O -18.416 5.402 -2.750 1.00 . A A . 2 SER OG 1 1 1 21 1 1 3 THR C C -14.613 2.530 0.067 1.00 . A A . 3 THR C 1 1 1 22 1 1 3 THR CA C -14.612 2.580 -1.457 1.00 . A A . 3 THR CA 1 1 1 23 1 1 3 THR CB C -13.261 2.108 -1.997 1.00 . A A . 3 THR CB 1 1 1 24 1 1 3 THR CG2 C -12.093 2.927 -1.487 1.00 . A A . 3 THR CG2 1 1 1 25 1 1 3 THR H H -14.395 4.683 -1.571 1.00 . A A . 3 THR H 1 1 1 26 1 1 3 THR HA H -15.386 1.924 -1.827 1.00 . A A . 3 THR HA 1 1 1 27 1 1 3 THR HB H -13.270 2.182 -3.074 1.00 . A A . 3 THR HB 1 1 1 28 1 1 3 THR HG1 H -13.100 0.205 -2.427 1.00 . A A . 3 THR HG1 1 1 1 29 1 1 3 THR HG21 H -11.168 2.427 -1.735 1.00 . A A . 3 THR HG21 1 1 1 30 1 1 3 THR HG22 H -12.169 3.034 -0.415 1.00 . A A . 3 THR HG22 1 1 1 31 1 1 3 THR HG23 H -12.110 3.903 -1.948 1.00 . A A . 3 THR HG23 1 1 1 32 1 1 3 THR N N -14.904 3.927 -1.933 1.00 . A A . 3 THR N 1 1 1 33 1 1 3 THR O O -15.045 3.474 0.730 1.00 . A A . 3 THR O 1 1 1 34 1 1 3 THR OG1 O -13.024 0.758 -1.645 1.00 . A A . 3 THR OG1 1 1 1 35 1 1 4 SER C C -13.074 2.219 2.694 1.00 . A A . 4 SER C 1 1 1 36 1 1 4 SER CA C -14.074 1.251 2.068 1.00 . A A . 4 SER CA 1 1 1 37 1 1 4 SER CB C -13.702 -0.192 2.418 1.00 . A A . 4 SER CB 1 1 1 38 1 1 4 SER H H -13.798 0.703 0.041 1.00 . A A . 4 SER H 1 1 1 39 1 1 4 SER HA H -15.056 1.465 2.461 1.00 . A A . 4 SER HA 1 1 1 40 1 1 4 SER HB2 H -13.120 -0.617 1.615 1.00 . A A . 4 SER HB2 1 1 1 41 1 1 4 SER HB3 H -13.119 -0.200 3.327 1.00 . A A . 4 SER HB3 1 1 1 42 1 1 4 SER HG H -15.494 -0.802 1.913 1.00 . A A . 4 SER HG 1 1 1 43 1 1 4 SER N N -14.128 1.422 0.620 1.00 . A A . 4 SER N 1 1 1 44 1 1 4 SER O O -13.455 3.263 3.220 1.00 . A A . 4 SER O 1 1 1 45 1 1 4 SER OG O -14.860 -0.986 2.610 1.00 . A A . 4 SER OG 1 1 1 46 1 1 5 ALA C C -9.387 2.382 2.581 1.00 . A A . 5 ALA C 1 1 1 47 1 1 5 ALA CA C -10.742 2.706 3.196 1.00 . A A . 5 ALA CA 1 1 1 48 1 1 5 ALA CB C -10.683 2.541 4.706 1.00 . A A . 5 ALA CB 1 1 1 49 1 1 5 ALA H H -11.548 1.021 2.201 1.00 . A A . 5 ALA H 1 1 1 50 1 1 5 ALA HA H -10.988 3.736 2.980 1.00 . A A . 5 ALA HA 1 1 1 51 1 1 5 ALA HB1 H -10.540 1.499 4.949 1.00 . A A . 5 ALA HB1 1 1 1 52 1 1 5 ALA HB2 H -11.606 2.890 5.143 1.00 . A A . 5 ALA HB2 1 1 1 53 1 1 5 ALA HB3 H -9.858 3.118 5.098 1.00 . A A . 5 ALA HB3 1 1 1 54 1 1 5 ALA N N -11.792 1.865 2.634 1.00 . A A . 5 ALA N 1 1 1 55 1 1 5 ALA O O -8.828 1.311 2.817 1.00 . A A . 5 ALA O 1 1 1 56 1 1 6 MET C C -6.445 3.246 2.180 1.00 . A A . 6 MET C 1 1 1 57 1 1 6 MET CA C -7.569 3.131 1.159 1.00 . A A . 6 MET CA 1 1 1 58 1 1 6 MET CB C -7.380 4.174 0.062 1.00 . A A . 6 MET CB 1 1 1 59 1 1 6 MET CE C -8.745 6.539 -2.057 1.00 . A A . 6 MET CE 1 1 1 60 1 1 6 MET CG C -8.283 3.963 -1.142 1.00 . A A . 6 MET CG 1 1 1 61 1 1 6 MET H H -9.346 4.151 1.652 1.00 . A A . 6 MET H 1 1 1 62 1 1 6 MET HA H -7.549 2.145 0.720 1.00 . A A . 6 MET HA 1 1 1 63 1 1 6 MET HB2 H -7.581 5.147 0.475 1.00 . A A . 6 MET HB2 1 1 1 64 1 1 6 MET HB3 H -6.358 4.145 -0.272 1.00 . A A . 6 MET HB3 1 1 1 65 1 1 6 MET HE1 H -9.386 7.407 -2.083 1.00 . A A . 6 MET HE1 1 1 1 66 1 1 6 MET HE2 H -8.489 6.250 -3.065 1.00 . A A . 6 MET HE2 1 1 1 67 1 1 6 MET HE3 H -7.844 6.773 -1.509 1.00 . A A . 6 MET HE3 1 1 1 68 1 1 6 MET HG2 H -7.685 4.022 -2.039 1.00 . A A . 6 MET HG2 1 1 1 69 1 1 6 MET HG3 H -8.729 2.981 -1.074 1.00 . A A . 6 MET HG3 1 1 1 70 1 1 6 MET N N -8.859 3.315 1.799 1.00 . A A . 6 MET N 1 1 1 71 1 1 6 MET O O -6.683 3.555 3.347 1.00 . A A . 6 MET O 1 1 1 72 1 1 6 MET SD S -9.602 5.190 -1.248 1.00 . A A . 6 MET SD 1 1 1 73 1 1 7 TRP C C -2.890 3.786 1.933 1.00 . A A . 7 TRP C 1 1 1 74 1 1 7 TRP CA C -4.062 3.097 2.615 1.00 . A A . 7 TRP CA 1 1 1 75 1 1 7 TRP CB C -3.633 1.714 3.119 1.00 . A A . 7 TRP CB 1 1 1 76 1 1 7 TRP CD1 C -4.290 -0.024 1.340 1.00 . A A . 7 TRP CD1 1 1 1 77 1 1 7 TRP CD2 C -2.081 0.294 1.547 1.00 . A A . 7 TRP CD2 1 1 1 78 1 1 7 TRP CE2 C -2.304 -0.681 0.555 1.00 . A A . 7 TRP CE2 1 1 1 79 1 1 7 TRP CE3 C -0.765 0.659 1.847 1.00 . A A . 7 TRP CE3 1 1 1 80 1 1 7 TRP CG C -3.366 0.704 2.037 1.00 . A A . 7 TRP CG 1 1 1 81 1 1 7 TRP CH2 C 0.017 -0.919 0.180 1.00 . A A . 7 TRP CH2 1 1 1 82 1 1 7 TRP CZ2 C -1.262 -1.296 -0.133 1.00 . A A . 7 TRP CZ2 1 1 1 83 1 1 7 TRP CZ3 C 0.270 0.049 1.159 1.00 . A A . 7 TRP CZ3 1 1 1 84 1 1 7 TRP H H -5.092 2.775 0.791 1.00 . A A . 7 TRP H 1 1 1 85 1 1 7 TRP HA H -4.355 3.694 3.466 1.00 . A A . 7 TRP HA 1 1 1 86 1 1 7 TRP HB2 H -2.727 1.821 3.695 1.00 . A A . 7 TRP HB2 1 1 1 87 1 1 7 TRP HB3 H -4.407 1.324 3.758 1.00 . A A . 7 TRP HB3 1 1 1 88 1 1 7 TRP HD1 H -5.359 0.055 1.480 1.00 . A A . 7 TRP HD1 1 1 1 89 1 1 7 TRP HE1 H -4.103 -1.479 -0.174 1.00 . A A . 7 TRP HE1 1 1 1 90 1 1 7 TRP HE3 H -0.550 1.404 2.598 1.00 . A A . 7 TRP HE3 1 1 1 91 1 1 7 TRP HH2 H 0.859 -1.367 -0.337 1.00 . A A . 7 TRP HH2 1 1 1 92 1 1 7 TRP HZ2 H -1.442 -2.050 -0.884 1.00 . A A . 7 TRP HZ2 1 1 1 93 1 1 7 TRP HZ3 H 1.292 0.318 1.378 1.00 . A A . 7 TRP HZ3 1 1 1 94 1 1 7 TRP N N -5.219 3.006 1.733 1.00 . A A . 7 TRP N 1 1 1 95 1 1 7 TRP NE1 N -3.657 -0.858 0.445 1.00 . A A . 7 TRP NE1 1 1 1 96 1 1 7 TRP O O -2.831 3.883 0.709 1.00 . A A . 7 TRP O 1 1 1 97 1 1 8 ALA C C 0.468 4.074 2.471 1.00 . A A . 8 ALA C 1 1 1 98 1 1 8 ALA CA C -0.768 4.938 2.251 1.00 . A A . 8 ALA CA 1 1 1 99 1 1 8 ALA CB C -0.604 6.287 2.934 1.00 . A A . 8 ALA CB 1 1 1 100 1 1 8 ALA H H -2.069 4.136 3.716 1.00 . A A . 8 ALA H 1 1 1 101 1 1 8 ALA HA H -0.898 5.106 1.190 1.00 . A A . 8 ALA HA 1 1 1 102 1 1 8 ALA HB1 H 0.248 6.801 2.513 1.00 . A A . 8 ALA HB1 1 1 1 103 1 1 8 ALA HB2 H -0.448 6.138 3.992 1.00 . A A . 8 ALA HB2 1 1 1 104 1 1 8 ALA HB3 H -1.493 6.879 2.780 1.00 . A A . 8 ALA HB3 1 1 1 105 1 1 8 ALA N N -1.956 4.257 2.749 1.00 . A A . 8 ALA N 1 1 1 106 1 1 8 ALA O O 0.830 3.768 3.606 1.00 . A A . 8 ALA O 1 1 1 107 1 1 9 CYS C C 3.454 3.571 2.095 1.00 . A A . 9 CYS C 1 1 1 108 1 1 9 CYS CA C 2.291 2.837 1.446 1.00 . A A . 9 CYS CA 1 1 1 109 1 1 9 CYS CB C 2.684 2.371 0.048 1.00 . A A . 9 CYS CB 1 1 1 110 1 1 9 CYS H H 0.768 3.949 0.502 1.00 . A A . 9 CYS H 1 1 1 111 1 1 9 CYS HA H 2.049 1.974 2.045 1.00 . A A . 9 CYS HA 1 1 1 112 1 1 9 CYS HB2 H 1.795 2.072 -0.490 1.00 . A A . 9 CYS HB2 1 1 1 113 1 1 9 CYS HB3 H 3.158 3.190 -0.474 1.00 . A A . 9 CYS HB3 1 1 1 114 1 1 9 CYS N N 1.105 3.675 1.378 1.00 . A A . 9 CYS N 1 1 1 115 1 1 9 CYS O O 3.454 4.798 2.192 1.00 . A A . 9 CYS O 1 1 1 116 1 1 9 CYS SG S 3.831 0.970 0.034 1.00 . A A . 9 CYS SG 1 1 1 117 1 1 10 GLN C C 6.890 3.045 2.372 1.00 . A A . 10 GLN C 1 1 1 118 1 1 10 GLN CA C 5.628 3.386 3.162 1.00 . A A . 10 GLN CA 1 1 1 119 1 1 10 GLN CB C 5.762 2.888 4.603 1.00 . A A . 10 GLN CB 1 1 1 120 1 1 10 GLN CD C 3.935 1.386 5.490 1.00 . A A . 10 GLN CD 1 1 1 121 1 1 10 GLN CG C 4.438 2.809 5.348 1.00 . A A . 10 GLN CG 1 1 1 122 1 1 10 GLN H H 4.397 1.838 2.422 1.00 . A A . 10 GLN H 1 1 1 123 1 1 10 GLN HA H 5.500 4.459 3.169 1.00 . A A . 10 GLN HA 1 1 1 124 1 1 10 GLN HB2 H 6.203 1.903 4.592 1.00 . A A . 10 GLN HB2 1 1 1 125 1 1 10 GLN HB3 H 6.414 3.559 5.143 1.00 . A A . 10 GLN HB3 1 1 1 126 1 1 10 GLN HE21 H 2.943 1.538 3.773 1.00 . A A . 10 GLN HE21 1 1 1 127 1 1 10 GLN HE22 H 2.811 0.018 4.583 1.00 . A A . 10 GLN HE22 1 1 1 128 1 1 10 GLN HG2 H 4.569 3.228 6.334 1.00 . A A . 10 GLN HG2 1 1 1 129 1 1 10 GLN HG3 H 3.701 3.385 4.808 1.00 . A A . 10 GLN HG3 1 1 1 130 1 1 10 GLN N N 4.452 2.809 2.530 1.00 . A A . 10 GLN N 1 1 1 131 1 1 10 GLN NE2 N 3.150 0.935 4.518 1.00 . A A . 10 GLN NE2 1 1 1 132 1 1 10 GLN O O 7.966 2.878 2.946 1.00 . A A . 10 GLN O 1 1 1 133 1 1 10 GLN OE1 O 4.247 0.698 6.462 1.00 . A A . 10 GLN OE1 1 1 1 134 1 1 11 HIS C C 7.813 3.530 -1.052 1.00 . A A . 11 HIS C 1 1 1 135 1 1 11 HIS CA C 7.875 2.642 0.179 1.00 . A A . 11 HIS CA 1 1 1 136 1 1 11 HIS CB C 7.851 1.168 -0.229 1.00 . A A . 11 HIS CB 1 1 1 137 1 1 11 HIS CD2 C 10.275 0.264 -0.263 1.00 . A A . 11 HIS CD2 1 1 1 138 1 1 11 HIS CE1 C 10.559 0.177 -2.435 1.00 . A A . 11 HIS CE1 1 1 1 139 1 1 11 HIS CG C 9.134 0.695 -0.837 1.00 . A A . 11 HIS CG 1 1 1 140 1 1 11 HIS H H 5.866 3.105 0.649 1.00 . A A . 11 HIS H 1 1 1 141 1 1 11 HIS HA H 8.787 2.850 0.720 1.00 . A A . 11 HIS HA 1 1 1 142 1 1 11 HIS HB2 H 7.655 0.563 0.644 1.00 . A A . 11 HIS HB2 1 1 1 143 1 1 11 HIS HB3 H 7.062 1.015 -0.951 1.00 . A A . 11 HIS HB3 1 1 1 144 1 1 11 HIS HD1 H 8.694 0.878 -2.891 1.00 . A A . 11 HIS HD1 1 1 1 145 1 1 11 HIS HD2 H 10.469 0.183 0.797 1.00 . A A . 11 HIS HD2 1 1 1 146 1 1 11 HIS HE1 H 10.997 0.023 -3.410 1.00 . A A . 11 HIS HE1 1 1 1 147 1 1 11 HIS HE2 H 12.082 -0.308 -1.163 1.00 . A A . 11 HIS HE2 1 1 1 148 1 1 11 HIS N N 6.750 2.951 1.052 1.00 . A A . 11 HIS N 1 1 1 149 1 1 11 HIS ND1 N 9.343 0.630 -2.199 1.00 . A A . 11 HIS ND1 1 1 1 150 1 1 11 HIS NE2 N 11.146 -0.052 -1.277 1.00 . A A . 11 HIS NE2 1 1 1 151 1 1 11 HIS O O 8.717 4.324 -1.311 1.00 . A A . 11 HIS O 1 1 1 152 1 1 12 CYS C C 5.877 5.549 -2.557 1.00 . A A . 12 CYS C 1 1 1 153 1 1 12 CYS CA C 6.494 4.216 -2.965 1.00 . A A . 12 CYS CA 1 1 1 154 1 1 12 CYS CB C 5.571 3.483 -3.927 1.00 . A A . 12 CYS CB 1 1 1 155 1 1 12 CYS H H 6.021 2.782 -1.515 1.00 . A A . 12 CYS H 1 1 1 156 1 1 12 CYS HA H 7.446 4.394 -3.441 1.00 . A A . 12 CYS HA 1 1 1 157 1 1 12 CYS HB2 H 5.295 4.156 -4.703 1.00 . A A . 12 CYS HB2 1 1 1 158 1 1 12 CYS HB3 H 6.096 2.641 -4.352 1.00 . A A . 12 CYS HB3 1 1 1 159 1 1 12 CYS N N 6.716 3.412 -1.787 1.00 . A A . 12 CYS N 1 1 1 160 1 1 12 CYS O O 6.069 6.571 -3.216 1.00 . A A . 12 CYS O 1 1 1 161 1 1 12 CYS SG S 4.047 2.867 -3.183 1.00 . A A . 12 CYS SG 1 1 1 162 1 1 13 THR C C 3.287 7.108 -1.720 1.00 . A A . 13 THR C 1 1 1 163 1 1 13 THR CA C 4.498 6.696 -0.894 1.00 . A A . 13 THR CA 1 1 1 164 1 1 13 THR CB C 5.491 7.853 -0.778 1.00 . A A . 13 THR CB 1 1 1 165 1 1 13 THR CG2 C 6.916 7.412 -0.515 1.00 . A A . 13 THR CG2 1 1 1 166 1 1 13 THR H H 5.051 4.670 -0.971 1.00 . A A . 13 THR H 1 1 1 167 1 1 13 THR HA H 4.157 6.437 0.097 1.00 . A A . 13 THR HA 1 1 1 168 1 1 13 THR HB H 5.185 8.471 0.045 1.00 . A A . 13 THR HB 1 1 1 169 1 1 13 THR HG1 H 4.908 9.393 -1.840 1.00 . A A . 13 THR HG1 1 1 1 170 1 1 13 THR HG21 H 7.443 7.317 -1.453 1.00 . A A . 13 THR HG21 1 1 1 171 1 1 13 THR HG22 H 6.909 6.458 -0.009 1.00 . A A . 13 THR HG22 1 1 1 172 1 1 13 THR HG23 H 7.411 8.145 0.105 1.00 . A A . 13 THR HG23 1 1 1 173 1 1 13 THR N N 5.146 5.516 -1.445 1.00 . A A . 13 THR N 1 1 1 174 1 1 13 THR O O 3.057 8.293 -1.962 1.00 . A A . 13 THR O 1 1 1 175 1 1 13 THR OG1 O 5.496 8.642 -1.955 1.00 . A A . 13 THR OG1 1 1 1 176 1 1 14 PHE C C 0.089 5.789 -2.224 1.00 . A A . 14 PHE C 1 1 1 177 1 1 14 PHE CA C 1.311 6.369 -2.921 1.00 . A A . 14 PHE CA 1 1 1 178 1 1 14 PHE CB C 1.456 5.757 -4.313 1.00 . A A . 14 PHE CB 1 1 1 179 1 1 14 PHE CD1 C 0.041 7.369 -5.616 1.00 . A A . 14 PHE CD1 1 1 1 180 1 1 14 PHE CD2 C -0.495 5.047 -5.720 1.00 . A A . 14 PHE CD2 1 1 1 181 1 1 14 PHE CE1 C -1.012 7.654 -6.465 1.00 . A A . 14 PHE CE1 1 1 1 182 1 1 14 PHE CE2 C -1.549 5.326 -6.570 1.00 . A A . 14 PHE CE2 1 1 1 183 1 1 14 PHE CG C 0.311 6.065 -5.235 1.00 . A A . 14 PHE CG 1 1 1 184 1 1 14 PHE CZ C -1.808 6.631 -6.942 1.00 . A A . 14 PHE CZ 1 1 1 185 1 1 14 PHE H H 2.738 5.199 -1.907 1.00 . A A . 14 PHE H 1 1 1 186 1 1 14 PHE HA H 1.189 7.436 -3.016 1.00 . A A . 14 PHE HA 1 1 1 187 1 1 14 PHE HB2 H 2.353 6.138 -4.765 1.00 . A A . 14 PHE HB2 1 1 1 188 1 1 14 PHE HB3 H 1.532 4.686 -4.219 1.00 . A A . 14 PHE HB3 1 1 1 189 1 1 14 PHE HD1 H 0.663 8.169 -5.243 1.00 . A A . 14 PHE HD1 1 1 1 190 1 1 14 PHE HD2 H -0.295 4.027 -5.429 1.00 . A A . 14 PHE HD2 1 1 1 191 1 1 14 PHE HE1 H -1.212 8.675 -6.754 1.00 . A A . 14 PHE HE1 1 1 1 192 1 1 14 PHE HE2 H -2.170 4.524 -6.942 1.00 . A A . 14 PHE HE2 1 1 1 193 1 1 14 PHE HZ H -2.632 6.851 -7.605 1.00 . A A . 14 PHE HZ 1 1 1 194 1 1 14 PHE N N 2.507 6.120 -2.138 1.00 . A A . 14 PHE N 1 1 1 195 1 1 14 PHE O O 0.209 4.993 -1.294 1.00 . A A . 14 PHE O 1 1 1 196 1 1 15 MET C C -2.720 4.390 -2.774 1.00 . A A . 15 MET C 1 1 1 197 1 1 15 MET CA C -2.334 5.704 -2.123 1.00 . A A . 15 MET CA 1 1 1 198 1 1 15 MET CB C -3.446 6.740 -2.309 1.00 . A A . 15 MET CB 1 1 1 199 1 1 15 MET CE C -5.893 7.074 -4.214 1.00 . A A . 15 MET CE 1 1 1 200 1 1 15 MET CG C -4.800 6.284 -1.793 1.00 . A A . 15 MET CG 1 1 1 201 1 1 15 MET H H -1.102 6.817 -3.437 1.00 . A A . 15 MET H 1 1 1 202 1 1 15 MET HA H -2.182 5.524 -1.067 1.00 . A A . 15 MET HA 1 1 1 203 1 1 15 MET HB2 H -3.171 7.642 -1.784 1.00 . A A . 15 MET HB2 1 1 1 204 1 1 15 MET HB3 H -3.542 6.962 -3.362 1.00 . A A . 15 MET HB3 1 1 1 205 1 1 15 MET HE1 H -6.726 6.984 -4.895 1.00 . A A . 15 MET HE1 1 1 1 206 1 1 15 MET HE2 H -4.970 7.104 -4.776 1.00 . A A . 15 MET HE2 1 1 1 207 1 1 15 MET HE3 H -5.994 7.983 -3.640 1.00 . A A . 15 MET HE3 1 1 1 208 1 1 15 MET HG2 H -4.649 5.494 -1.071 1.00 . A A . 15 MET HG2 1 1 1 209 1 1 15 MET HG3 H -5.287 7.120 -1.313 1.00 . A A . 15 MET HG3 1 1 1 210 1 1 15 MET N N -1.082 6.188 -2.689 1.00 . A A . 15 MET N 1 1 1 211 1 1 15 MET O O -2.376 4.128 -3.926 1.00 . A A . 15 MET O 1 1 1 212 1 1 15 MET SD S -5.871 5.667 -3.105 1.00 . A A . 15 MET SD 1 1 1 213 1 1 16 ASN C C -5.204 1.871 -2.065 1.00 . A A . 16 ASN C 1 1 1 214 1 1 16 ASN CA C -3.789 2.244 -2.504 1.00 . A A . 16 ASN CA 1 1 1 215 1 1 16 ASN CB C -2.791 1.225 -1.980 1.00 . A A . 16 ASN CB 1 1 1 216 1 1 16 ASN CG C -2.525 0.110 -2.963 1.00 . A A . 16 ASN CG 1 1 1 217 1 1 16 ASN H H -3.619 3.800 -1.094 1.00 . A A . 16 ASN H 1 1 1 218 1 1 16 ASN HA H -3.744 2.259 -3.581 1.00 . A A . 16 ASN HA 1 1 1 219 1 1 16 ASN HB2 H -1.857 1.725 -1.775 1.00 . A A . 16 ASN HB2 1 1 1 220 1 1 16 ASN HB3 H -3.173 0.810 -1.069 1.00 . A A . 16 ASN HB3 1 1 1 221 1 1 16 ASN HD21 H -1.318 1.295 -4.006 1.00 . A A . 16 ASN HD21 1 1 1 222 1 1 16 ASN HD22 H -1.516 -0.305 -4.621 1.00 . A A . 16 ASN HD22 1 1 1 223 1 1 16 ASN N N -3.400 3.549 -2.015 1.00 . A A . 16 ASN N 1 1 1 224 1 1 16 ASN ND2 N -1.702 0.394 -3.964 1.00 . A A . 16 ASN ND2 1 1 1 225 1 1 16 ASN O O -5.676 2.312 -1.019 1.00 . A A . 16 ASN O 1 1 1 226 1 1 16 ASN OD1 O -3.045 -0.992 -2.822 1.00 . A A . 16 ASN OD1 1 1 1 227 1 1 17 GLN C C -7.270 -0.265 -1.323 1.00 . A A . 17 GLN C 1 1 1 228 1 1 17 GLN CA C -7.232 0.617 -2.571 1.00 . A A . 17 GLN CA 1 1 1 229 1 1 17 GLN CB C -7.816 -0.133 -3.761 1.00 . A A . 17 GLN CB 1 1 1 230 1 1 17 GLN CD C -9.890 1.210 -4.296 1.00 . A A . 17 GLN CD 1 1 1 231 1 1 17 GLN CG C -8.519 0.765 -4.766 1.00 . A A . 17 GLN CG 1 1 1 232 1 1 17 GLN H H -5.439 0.733 -3.691 1.00 . A A . 17 GLN H 1 1 1 233 1 1 17 GLN HA H -7.825 1.493 -2.397 1.00 . A A . 17 GLN HA 1 1 1 234 1 1 17 GLN HB2 H -7.015 -0.636 -4.264 1.00 . A A . 17 GLN HB2 1 1 1 235 1 1 17 GLN HB3 H -8.524 -0.865 -3.403 1.00 . A A . 17 GLN HB3 1 1 1 236 1 1 17 GLN HE21 H -9.237 3.075 -4.076 1.00 . A A . 17 GLN HE21 1 1 1 237 1 1 17 GLN HE22 H -10.897 2.810 -3.679 1.00 . A A . 17 GLN HE22 1 1 1 238 1 1 17 GLN HG2 H -7.911 1.642 -4.932 1.00 . A A . 17 GLN HG2 1 1 1 239 1 1 17 GLN HG3 H -8.631 0.226 -5.695 1.00 . A A . 17 GLN HG3 1 1 1 240 1 1 17 GLN N N -5.872 1.053 -2.872 1.00 . A A . 17 GLN N 1 1 1 241 1 1 17 GLN NE2 N -10.022 2.495 -3.985 1.00 . A A . 17 GLN NE2 1 1 1 242 1 1 17 GLN O O -6.240 -0.778 -0.884 1.00 . A A . 17 GLN O 1 1 1 243 1 1 17 GLN OE1 O -10.821 0.409 -4.213 1.00 . A A . 17 GLN OE1 1 1 1 244 1 1 18 PRO C C -8.524 -2.770 0.198 1.00 . A A . 18 PRO C 1 1 1 245 1 1 18 PRO CA C -8.635 -1.272 0.475 1.00 . A A . 18 PRO CA 1 1 1 246 1 1 18 PRO CB C -10.049 -0.924 0.939 1.00 . A A . 18 PRO CB 1 1 1 247 1 1 18 PRO CD C -9.742 0.129 -1.188 1.00 . A A . 18 PRO CD 1 1 1 248 1 1 18 PRO CG C -10.767 -0.530 -0.304 1.00 . A A . 18 PRO CG 1 1 1 249 1 1 18 PRO HA H -7.925 -0.997 1.242 1.00 . A A . 18 PRO HA 1 1 1 250 1 1 18 PRO HB2 H -10.501 -1.789 1.401 1.00 . A A . 18 PRO HB2 1 1 1 251 1 1 18 PRO HB3 H -10.010 -0.109 1.646 1.00 . A A . 18 PRO HB3 1 1 1 252 1 1 18 PRO HD2 H -9.927 -0.114 -2.222 1.00 . A A . 18 PRO HD2 1 1 1 253 1 1 18 PRO HD3 H -9.752 1.199 -1.043 1.00 . A A . 18 PRO HD3 1 1 1 254 1 1 18 PRO HG2 H -11.170 -1.408 -0.788 1.00 . A A . 18 PRO HG2 1 1 1 255 1 1 18 PRO HG3 H -11.558 0.165 -0.065 1.00 . A A . 18 PRO HG3 1 1 1 256 1 1 18 PRO N N -8.465 -0.451 -0.730 1.00 . A A . 18 PRO N 1 1 1 257 1 1 18 PRO O O -8.499 -3.578 1.127 1.00 . A A . 18 PRO O 1 1 1 258 1 1 19 GLY C C -6.988 -4.888 -2.004 1.00 . A A . 19 GLY C 1 1 1 259 1 1 19 GLY CA C -8.351 -4.541 -1.439 1.00 . A A . 19 GLY CA 1 1 1 260 1 1 19 GLY H H -8.481 -2.455 -1.780 1.00 . A A . 19 GLY H 1 1 1 261 1 1 19 GLY HA2 H -8.529 -5.142 -0.560 1.00 . A A . 19 GLY HA2 1 1 1 262 1 1 19 GLY HA3 H -9.104 -4.770 -2.179 1.00 . A A . 19 GLY HA3 1 1 1 263 1 1 19 GLY N N -8.459 -3.138 -1.078 1.00 . A A . 19 GLY N 1 1 1 264 1 1 19 GLY O O -6.641 -6.061 -2.134 1.00 . A A . 19 GLY O 1 1 1 265 1 1 20 THR C C -3.828 -4.010 -1.800 1.00 . A A . 20 THR C 1 1 1 266 1 1 20 THR CA C -4.884 -4.048 -2.894 1.00 . A A . 20 THR CA 1 1 1 267 1 1 20 THR CB C -4.592 -2.961 -3.922 1.00 . A A . 20 THR CB 1 1 1 268 1 1 20 THR CG2 C -5.075 -3.304 -5.307 1.00 . A A . 20 THR CG2 1 1 1 269 1 1 20 THR H H -6.551 -2.949 -2.212 1.00 . A A . 20 THR H 1 1 1 270 1 1 20 THR HA H -4.849 -5.011 -3.380 1.00 . A A . 20 THR HA 1 1 1 271 1 1 20 THR HB H -3.524 -2.807 -3.970 1.00 . A A . 20 THR HB 1 1 1 272 1 1 20 THR HG1 H -4.748 -1.371 -2.788 1.00 . A A . 20 THR HG1 1 1 1 273 1 1 20 THR HG21 H -4.721 -4.288 -5.575 1.00 . A A . 20 THR HG21 1 1 1 274 1 1 20 THR HG22 H -4.695 -2.578 -6.009 1.00 . A A . 20 THR HG22 1 1 1 275 1 1 20 THR HG23 H -6.154 -3.292 -5.323 1.00 . A A . 20 THR HG23 1 1 1 276 1 1 20 THR N N -6.215 -3.860 -2.339 1.00 . A A . 20 THR N 1 1 1 277 1 1 20 THR O O -2.920 -3.183 -1.837 1.00 . A A . 20 THR O 1 1 1 278 1 1 20 THR OG1 O -5.207 -1.740 -3.547 1.00 . A A . 20 THR OG1 1 1 1 279 1 1 21 GLY C C -1.553 -4.816 -0.242 1.00 . A A . 21 GLY C 1 1 1 280 1 1 21 GLY CA C -2.976 -4.950 0.255 1.00 . A A . 21 GLY CA 1 1 1 281 1 1 21 GLY H H -4.684 -5.550 -0.848 1.00 . A A . 21 GLY H 1 1 1 282 1 1 21 GLY HA2 H -3.185 -4.142 0.940 1.00 . A A . 21 GLY HA2 1 1 1 283 1 1 21 GLY HA3 H -3.075 -5.884 0.778 1.00 . A A . 21 GLY HA3 1 1 1 284 1 1 21 GLY N N -3.943 -4.909 -0.828 1.00 . A A . 21 GLY N 1 1 1 285 1 1 21 GLY O O -0.694 -4.268 0.448 1.00 . A A . 21 GLY O 1 1 1 286 1 1 22 HIS C C 0.290 -3.754 -2.442 1.00 . A A . 22 HIS C 1 1 1 287 1 1 22 HIS CA C 0.017 -5.204 -2.042 1.00 . A A . 22 HIS CA 1 1 1 288 1 1 22 HIS CB C 0.145 -6.151 -3.241 1.00 . A A . 22 HIS CB 1 1 1 289 1 1 22 HIS CD2 C 1.296 -8.467 -3.044 1.00 . A A . 22 HIS CD2 1 1 1 290 1 1 22 HIS CE1 C -0.301 -9.529 -1.982 1.00 . A A . 22 HIS CE1 1 1 1 291 1 1 22 HIS CG C 0.280 -7.591 -2.853 1.00 . A A . 22 HIS CG 1 1 1 292 1 1 22 HIS H H -2.034 -5.707 -1.969 1.00 . A A . 22 HIS H 1 1 1 293 1 1 22 HIS HA H 0.728 -5.492 -1.284 1.00 . A A . 22 HIS HA 1 1 1 294 1 1 22 HIS HB2 H -0.734 -6.056 -3.860 1.00 . A A . 22 HIS HB2 1 1 1 295 1 1 22 HIS HB3 H 1.016 -5.876 -3.816 1.00 . A A . 22 HIS HB3 1 1 1 296 1 1 22 HIS HD1 H -1.569 -7.925 -1.902 1.00 . A A . 22 HIS HD1 1 1 1 297 1 1 22 HIS HD2 H 2.235 -8.261 -3.538 1.00 . A A . 22 HIS HD2 1 1 1 298 1 1 22 HIS HE1 H -0.865 -10.303 -1.482 1.00 . A A . 22 HIS HE1 1 1 1 299 1 1 22 HIS HE2 H 1.475 -10.459 -2.404 1.00 . A A . 22 HIS HE2 1 1 1 300 1 1 22 HIS N N -1.307 -5.297 -1.455 1.00 . A A . 22 HIS N 1 1 1 301 1 1 22 HIS ND1 N -0.705 -8.288 -2.185 1.00 . A A . 22 HIS ND1 1 1 1 302 1 1 22 HIS NE2 N 0.909 -9.663 -2.493 1.00 . A A . 22 HIS NE2 1 1 1 303 1 1 22 HIS O O 0.425 -2.898 -1.577 1.00 . A A . 22 HIS O 1 1 1 304 1 1 23 CYS C C 0.751 -2.052 -5.712 1.00 . A A . 23 CYS C 1 1 1 305 1 1 23 CYS CA C 0.585 -2.107 -4.200 1.00 . A A . 23 CYS CA 1 1 1 306 1 1 23 CYS CB C 1.816 -1.507 -3.527 1.00 . A A . 23 CYS CB 1 1 1 307 1 1 23 CYS H H 0.233 -4.174 -4.396 1.00 . A A . 23 CYS H 1 1 1 308 1 1 23 CYS HA H -0.278 -1.521 -3.927 1.00 . A A . 23 CYS HA 1 1 1 309 1 1 23 CYS HB2 H 2.167 -2.174 -2.761 1.00 . A A . 23 CYS HB2 1 1 1 310 1 1 23 CYS HB3 H 2.589 -1.383 -4.260 1.00 . A A . 23 CYS HB3 1 1 1 311 1 1 23 CYS N N 0.353 -3.468 -3.739 1.00 . A A . 23 CYS N 1 1 1 312 1 1 23 CYS O O 1.201 -3.012 -6.337 1.00 . A A . 23 CYS O 1 1 1 313 1 1 23 CYS SG S 1.517 0.106 -2.767 1.00 . A A . 23 CYS SG 1 1 1 314 1 1 24 GLU C C 1.712 0.190 -8.025 1.00 . A A . 24 GLU C 1 1 1 315 1 1 24 GLU CA C 0.518 -0.708 -7.723 1.00 . A A . 24 GLU CA 1 1 1 316 1 1 24 GLU CB C -0.765 -0.089 -8.284 1.00 . A A . 24 GLU CB 1 1 1 317 1 1 24 GLU CD C -0.945 -1.393 -10.440 1.00 . A A . 24 GLU CD 1 1 1 318 1 1 24 GLU CG C -1.594 -1.058 -9.111 1.00 . A A . 24 GLU CG 1 1 1 319 1 1 24 GLU H H 0.058 -0.180 -5.731 1.00 . A A . 24 GLU H 1 1 1 320 1 1 24 GLU HA H 0.678 -1.670 -8.183 1.00 . A A . 24 GLU HA 1 1 1 321 1 1 24 GLU HB2 H -1.372 0.258 -7.462 1.00 . A A . 24 GLU HB2 1 1 1 322 1 1 24 GLU HB3 H -0.504 0.753 -8.908 1.00 . A A . 24 GLU HB3 1 1 1 323 1 1 24 GLU HG2 H -1.723 -1.972 -8.551 1.00 . A A . 24 GLU HG2 1 1 1 324 1 1 24 GLU HG3 H -2.560 -0.614 -9.301 1.00 . A A . 24 GLU HG3 1 1 1 325 1 1 24 GLU N N 0.398 -0.910 -6.288 1.00 . A A . 24 GLU N 1 1 1 326 1 1 24 GLU O O 1.752 0.862 -9.056 1.00 . A A . 24 GLU O 1 1 1 327 1 1 24 GLU OE1 O -0.015 -2.226 -10.454 1.00 . A A . 24 GLU OE1 1 1 1 328 1 1 24 GLU OE2 O -1.367 -0.821 -11.468 1.00 . A A . 24 GLU OE2 1 1 1 329 1 1 25 MET C C 5.116 0.175 -6.962 1.00 . A A . 25 MET C 1 1 1 330 1 1 25 MET CA C 3.882 1.002 -7.284 1.00 . A A . 25 MET CA 1 1 1 331 1 1 25 MET CB C 3.822 2.236 -6.385 1.00 . A A . 25 MET CB 1 1 1 332 1 1 25 MET CE C 1.602 3.596 -9.280 1.00 . A A . 25 MET CE 1 1 1 333 1 1 25 MET CG C 3.292 3.475 -7.087 1.00 . A A . 25 MET CG 1 1 1 334 1 1 25 MET H H 2.603 -0.368 -6.316 1.00 . A A . 25 MET H 1 1 1 335 1 1 25 MET HA H 3.931 1.317 -8.316 1.00 . A A . 25 MET HA 1 1 1 336 1 1 25 MET HB2 H 3.180 2.023 -5.543 1.00 . A A . 25 MET HB2 1 1 1 337 1 1 25 MET HB3 H 4.816 2.452 -6.022 1.00 . A A . 25 MET HB3 1 1 1 338 1 1 25 MET HE1 H 0.939 2.896 -9.767 1.00 . A A . 25 MET HE1 1 1 1 339 1 1 25 MET HE2 H 2.611 3.442 -9.633 1.00 . A A . 25 MET HE2 1 1 1 340 1 1 25 MET HE3 H 1.291 4.605 -9.508 1.00 . A A . 25 MET HE3 1 1 1 341 1 1 25 MET HG2 H 3.424 4.326 -6.436 1.00 . A A . 25 MET HG2 1 1 1 342 1 1 25 MET HG3 H 3.857 3.627 -7.995 1.00 . A A . 25 MET HG3 1 1 1 343 1 1 25 MET N N 2.687 0.194 -7.118 1.00 . A A . 25 MET N 1 1 1 344 1 1 25 MET O O 5.961 -0.053 -7.828 1.00 . A A . 25 MET O 1 1 1 345 1 1 25 MET SD S 1.544 3.340 -7.509 1.00 . A A . 25 MET SD 1 1 1 346 1 1 26 CYS C C 6.148 -2.551 -5.717 1.00 . A A . 26 CYS C 1 1 1 347 1 1 26 CYS CA C 6.344 -1.092 -5.309 1.00 . A A . 26 CYS CA 1 1 1 348 1 1 26 CYS CB C 6.547 -0.993 -3.803 1.00 . A A . 26 CYS CB 1 1 1 349 1 1 26 CYS H H 4.514 -0.081 -5.058 1.00 . A A . 26 CYS H 1 1 1 350 1 1 26 CYS HA H 7.222 -0.708 -5.807 1.00 . A A . 26 CYS HA 1 1 1 351 1 1 26 CYS HB2 H 7.214 -1.768 -3.504 1.00 . A A . 26 CYS HB2 1 1 1 352 1 1 26 CYS HB3 H 6.983 -0.034 -3.565 1.00 . A A . 26 CYS HB3 1 1 1 353 1 1 26 CYS N N 5.215 -0.285 -5.717 1.00 . A A . 26 CYS N 1 1 1 354 1 1 26 CYS O O 7.046 -3.164 -6.294 1.00 . A A . 26 CYS O 1 1 1 355 1 1 26 CYS SG S 5.044 -1.176 -2.818 1.00 . A A . 26 CYS SG 1 1 1 356 1 1 27 SER C C 4.928 -5.343 -4.460 1.00 . A A . 27 SER C 1 1 1 357 1 1 27 SER CA C 4.637 -4.497 -5.683 1.00 . A A . 27 SER CA 1 1 1 358 1 1 27 SER CB C 5.409 -5.029 -6.890 1.00 . A A . 27 SER CB 1 1 1 359 1 1 27 SER H H 4.319 -2.558 -4.901 1.00 . A A . 27 SER H 1 1 1 360 1 1 27 SER HA H 3.580 -4.543 -5.893 1.00 . A A . 27 SER HA 1 1 1 361 1 1 27 SER HB2 H 5.440 -4.268 -7.654 1.00 . A A . 27 SER HB2 1 1 1 362 1 1 27 SER HB3 H 6.412 -5.280 -6.587 1.00 . A A . 27 SER HB3 1 1 1 363 1 1 27 SER HG H 4.777 -6.880 -6.760 1.00 . A A . 27 SER HG 1 1 1 364 1 1 27 SER N N 4.975 -3.102 -5.386 1.00 . A A . 27 SER N 1 1 1 365 1 1 27 SER O O 5.376 -6.486 -4.555 1.00 . A A . 27 SER O 1 1 1 366 1 1 27 SER OG O 4.788 -6.187 -7.425 1.00 . A A . 27 SER OG 1 1 1 367 1 1 28 LEU C C 3.636 -5.429 -1.221 1.00 . A A . 28 LEU C 1 1 1 368 1 1 28 LEU CA C 4.923 -5.366 -2.033 1.00 . A A . 28 LEU CA 1 1 1 369 1 1 28 LEU CB C 5.972 -4.551 -1.293 1.00 . A A . 28 LEU CB 1 1 1 370 1 1 28 LEU CD1 C 8.370 -4.064 -0.788 1.00 . A A . 28 LEU CD1 1 1 1 371 1 1 28 LEU CD2 C 7.572 -6.433 -0.834 1.00 . A A . 28 LEU CD2 1 1 1 372 1 1 28 LEU CG C 7.405 -5.044 -1.436 1.00 . A A . 28 LEU CG 1 1 1 373 1 1 28 LEU H H 4.348 -3.825 -3.314 1.00 . A A . 28 LEU H 1 1 1 374 1 1 28 LEU HA H 5.294 -6.365 -2.198 1.00 . A A . 28 LEU HA 1 1 1 375 1 1 28 LEU HB2 H 5.928 -3.545 -1.669 1.00 . A A . 28 LEU HB2 1 1 1 376 1 1 28 LEU HB3 H 5.711 -4.530 -0.262 1.00 . A A . 28 LEU HB3 1 1 1 377 1 1 28 LEU HD11 H 7.936 -3.679 0.122 1.00 . A A . 28 LEU HD11 1 1 1 378 1 1 28 LEU HD12 H 8.569 -3.250 -1.467 1.00 . A A . 28 LEU HD12 1 1 1 379 1 1 28 LEU HD13 H 9.296 -4.570 -0.559 1.00 . A A . 28 LEU HD13 1 1 1 380 1 1 28 LEU HD21 H 7.550 -6.364 0.244 1.00 . A A . 28 LEU HD21 1 1 1 381 1 1 28 LEU HD22 H 8.519 -6.851 -1.146 1.00 . A A . 28 LEU HD22 1 1 1 382 1 1 28 LEU HD23 H 6.772 -7.072 -1.170 1.00 . A A . 28 LEU HD23 1 1 1 383 1 1 28 LEU HG H 7.654 -5.106 -2.487 1.00 . A A . 28 LEU HG 1 1 1 384 1 1 28 LEU N N 4.685 -4.740 -3.307 1.00 . A A . 28 LEU N 1 1 1 385 1 1 28 LEU O O 2.635 -4.827 -1.595 1.00 . A A . 28 LEU O 1 1 1 386 1 1 29 PRO C C 2.275 -5.075 1.673 1.00 . A A . 29 PRO C 1 1 1 387 1 1 29 PRO CA C 2.487 -6.293 0.779 1.00 . A A . 29 PRO CA 1 1 1 388 1 1 29 PRO CB C 2.838 -7.519 1.618 1.00 . A A . 29 PRO CB 1 1 1 389 1 1 29 PRO CD C 4.822 -6.885 0.418 1.00 . A A . 29 PRO CD 1 1 1 390 1 1 29 PRO CG C 4.327 -7.506 1.701 1.00 . A A . 29 PRO CG 1 1 1 391 1 1 29 PRO HA H 1.588 -6.485 0.212 1.00 . A A . 29 PRO HA 1 1 1 392 1 1 29 PRO HB2 H 2.386 -7.432 2.596 1.00 . A A . 29 PRO HB2 1 1 1 393 1 1 29 PRO HB3 H 2.479 -8.412 1.127 1.00 . A A . 29 PRO HB3 1 1 1 394 1 1 29 PRO HD2 H 5.636 -6.205 0.617 1.00 . A A . 29 PRO HD2 1 1 1 395 1 1 29 PRO HD3 H 5.130 -7.647 -0.280 1.00 . A A . 29 PRO HD3 1 1 1 396 1 1 29 PRO HG2 H 4.642 -6.914 2.548 1.00 . A A . 29 PRO HG2 1 1 1 397 1 1 29 PRO HG3 H 4.697 -8.516 1.793 1.00 . A A . 29 PRO HG3 1 1 1 398 1 1 29 PRO N N 3.653 -6.152 -0.094 1.00 . A A . 29 PRO N 1 1 1 399 1 1 29 PRO O O 3.187 -4.273 1.873 1.00 . A A . 29 PRO O 1 1 1 400 1 1 30 ARG C C 1.431 -3.965 4.439 1.00 . A A . 30 ARG C 1 1 1 401 1 1 30 ARG CA C 0.733 -3.834 3.096 1.00 . A A . 30 ARG CA 1 1 1 402 1 1 30 ARG CB C -0.780 -3.756 3.295 1.00 . A A . 30 ARG CB 1 1 1 403 1 1 30 ARG CD C -2.857 -2.341 3.233 1.00 . A A . 30 ARG CD 1 1 1 404 1 1 30 ARG CG C -1.337 -2.345 3.201 1.00 . A A . 30 ARG CG 1 1 1 405 1 1 30 ARG CZ C -3.340 -2.987 5.562 1.00 . A A . 30 ARG CZ 1 1 1 406 1 1 30 ARG H H 0.383 -5.624 2.027 1.00 . A A . 30 ARG H 1 1 1 407 1 1 30 ARG HA H 1.074 -2.934 2.626 1.00 . A A . 30 ARG HA 1 1 1 408 1 1 30 ARG HB2 H -1.259 -4.362 2.544 1.00 . A A . 30 ARG HB2 1 1 1 409 1 1 30 ARG HB3 H -1.024 -4.151 4.267 1.00 . A A . 30 ARG HB3 1 1 1 410 1 1 30 ARG HD2 H -3.197 -1.337 3.440 1.00 . A A . 30 ARG HD2 1 1 1 411 1 1 30 ARG HD3 H -3.225 -2.653 2.267 1.00 . A A . 30 ARG HD3 1 1 1 412 1 1 30 ARG HE H -3.800 -4.075 3.953 1.00 . A A . 30 ARG HE 1 1 1 413 1 1 30 ARG HG2 H -0.969 -1.767 4.036 1.00 . A A . 30 ARG HG2 1 1 1 414 1 1 30 ARG HG3 H -1.002 -1.898 2.277 1.00 . A A . 30 ARG HG3 1 1 1 415 1 1 30 ARG HH11 H -2.405 -1.205 5.363 1.00 . A A . 30 ARG HH11 1 1 1 416 1 1 30 ARG HH12 H -2.756 -1.682 6.990 1.00 . A A . 30 ARG HH12 1 1 1 417 1 1 30 ARG HH21 H -4.264 -4.705 6.093 1.00 . A A . 30 ARG HH21 1 1 1 418 1 1 30 ARG HH22 H -3.811 -3.669 7.405 1.00 . A A . 30 ARG HH22 1 1 1 419 1 1 30 ARG N N 1.066 -4.947 2.216 1.00 . A A . 30 ARG N 1 1 1 420 1 1 30 ARG NE N -3.388 -3.240 4.256 1.00 . A A . 30 ARG NE 1 1 1 421 1 1 30 ARG NH1 N -2.788 -1.866 6.008 1.00 . A A . 30 ARG NH1 1 1 1 422 1 1 30 ARG NH2 N -3.846 -3.859 6.423 1.00 . A A . 30 ARG NH2 1 1 1 423 1 1 30 ARG O O 1.415 -3.044 5.256 1.00 . A A . 30 ARG O 1 1 1 424 1 1 31 THR C C 3.952 -6.281 5.656 1.00 . A A . 31 THR C 1 1 1 425 1 1 31 THR CA C 2.741 -5.383 5.901 1.00 . A A . 31 THR CA 1 1 1 426 1 1 31 THR CB C 1.787 -6.035 6.905 1.00 . A A . 31 THR CB 1 1 1 427 1 1 31 THR CG2 C 2.478 -6.592 8.132 1.00 . A A . 31 THR CG2 1 1 1 428 1 1 31 THR H H 2.006 -5.804 3.968 1.00 . A A . 31 THR H 1 1 1 429 1 1 31 THR HA H 3.079 -4.438 6.296 1.00 . A A . 31 THR HA 1 1 1 430 1 1 31 THR HB H 1.272 -6.850 6.413 1.00 . A A . 31 THR HB 1 1 1 431 1 1 31 THR HG1 H -0.058 -5.494 7.284 1.00 . A A . 31 THR HG1 1 1 1 432 1 1 31 THR HG21 H 1.751 -7.076 8.766 1.00 . A A . 31 THR HG21 1 1 1 433 1 1 31 THR HG22 H 2.952 -5.787 8.675 1.00 . A A . 31 THR HG22 1 1 1 434 1 1 31 THR HG23 H 3.225 -7.310 7.828 1.00 . A A . 31 THR HG23 1 1 1 435 1 1 31 THR N N 2.038 -5.115 4.659 1.00 . A A . 31 THR N 1 1 1 436 1 1 31 THR O O 3.827 -7.504 5.595 1.00 . A A . 31 THR O 1 1 1 437 1 1 31 THR OG1 O 0.817 -5.102 7.347 1.00 . A A . 31 THR OG1 1 1 1 438 2 2 1 ZN ZN ZN 3.818 0.713 -2.375 1.00 . B A . 32 ZN ZN 1 1 2 439 1 1 1 GLY C C -18.760 3.414 -0.988 1.00 . A A . 1 GLY C 1 1 2 440 1 1 1 GLY CA C -19.152 4.872 -0.845 1.00 . A A . 1 GLY CA 1 1 2 441 1 1 1 GLY H1 H -18.253 6.755 -0.747 1.00 . A A . 1 GLY H1 1 1 2 442 1 1 1 GLY H2 H -17.739 5.819 -2.058 1.00 . A A . 1 GLY H2 1 1 2 443 1 1 1 GLY H3 H -17.180 5.470 -0.501 1.00 . A A . 1 GLY H3 1 1 2 444 1 1 1 GLY HA2 H -19.551 5.030 0.145 1.00 . A A . 1 GLY HA2 1 1 2 445 1 1 1 GLY HA3 H -19.917 5.102 -1.572 1.00 . A A . 1 GLY HA3 1 1 2 446 1 1 1 GLY N N -18.000 5.794 -1.052 1.00 . A A . 1 GLY N 1 1 2 447 1 1 1 GLY O O -18.684 2.685 0.000 1.00 . A A . 1 GLY O 1 1 2 448 1 1 2 SER C C -16.832 1.253 -1.770 1.00 . A A . 2 SER C 1 1 2 449 1 1 2 SER CA C -18.128 1.608 -2.492 1.00 . A A . 2 SER CA 1 1 2 450 1 1 2 SER CB C -17.962 1.387 -3.997 1.00 . A A . 2 SER CB 1 1 2 451 1 1 2 SER H H -18.590 3.618 -2.970 1.00 . A A . 2 SER H 1 1 2 452 1 1 2 SER HA H -18.916 0.967 -2.127 1.00 . A A . 2 SER HA 1 1 2 453 1 1 2 SER HB2 H -17.253 2.101 -4.388 1.00 . A A . 2 SER HB2 1 1 2 454 1 1 2 SER HB3 H -17.598 0.386 -4.173 1.00 . A A . 2 SER HB3 1 1 2 455 1 1 2 SER HG H -19.810 0.871 -4.392 1.00 . A A . 2 SER HG 1 1 2 456 1 1 2 SER N N -18.512 2.989 -2.223 1.00 . A A . 2 SER N 1 1 2 457 1 1 2 SER O O -16.812 0.381 -0.901 1.00 . A A . 2 SER O 1 1 2 458 1 1 2 SER OG O -19.195 1.551 -4.675 1.00 . A A . 2 SER OG 1 1 2 459 1 1 3 THR C C -14.500 1.957 -0.018 1.00 . A A . 3 THR C 1 1 2 460 1 1 3 THR CA C -14.451 1.693 -1.519 1.00 . A A . 3 THR CA 1 1 2 461 1 1 3 THR CB C -13.385 2.577 -2.168 1.00 . A A . 3 THR CB 1 1 2 462 1 1 3 THR CG2 C -11.990 2.321 -1.637 1.00 . A A . 3 THR CG2 1 1 2 463 1 1 3 THR H H -15.830 2.619 -2.831 1.00 . A A . 3 THR H 1 1 2 464 1 1 3 THR HA H -14.196 0.657 -1.683 1.00 . A A . 3 THR HA 1 1 2 465 1 1 3 THR HB H -13.626 3.612 -1.978 1.00 . A A . 3 THR HB 1 1 2 466 1 1 3 THR HG1 H -13.036 1.491 -3.760 1.00 . A A . 3 THR HG1 1 1 2 467 1 1 3 THR HG21 H -11.527 1.531 -2.209 1.00 . A A . 3 THR HG21 1 1 2 468 1 1 3 THR HG22 H -12.049 2.027 -0.599 1.00 . A A . 3 THR HG22 1 1 2 469 1 1 3 THR HG23 H -11.401 3.221 -1.723 1.00 . A A . 3 THR HG23 1 1 2 470 1 1 3 THR N N -15.751 1.936 -2.133 1.00 . A A . 3 THR N 1 1 2 471 1 1 3 THR O O -14.939 3.019 0.422 1.00 . A A . 3 THR O 1 1 2 472 1 1 3 THR OG1 O -13.353 2.377 -3.571 1.00 . A A . 3 THR OG1 1 1 2 473 1 1 4 SER C C -13.079 2.205 2.663 1.00 . A A . 4 SER C 1 1 2 474 1 1 4 SER CA C -14.043 1.108 2.217 1.00 . A A . 4 SER CA 1 1 2 475 1 1 4 SER CB C -13.658 -0.223 2.865 1.00 . A A . 4 SER CB 1 1 2 476 1 1 4 SER H H -13.713 0.158 0.355 1.00 . A A . 4 SER H 1 1 2 477 1 1 4 SER HA H -15.041 1.375 2.530 1.00 . A A . 4 SER HA 1 1 2 478 1 1 4 SER HB2 H -13.008 -0.771 2.199 1.00 . A A . 4 SER HB2 1 1 2 479 1 1 4 SER HB3 H -13.141 -0.032 3.795 1.00 . A A . 4 SER HB3 1 1 2 480 1 1 4 SER HG H -14.618 -1.613 3.858 1.00 . A A . 4 SER HG 1 1 2 481 1 1 4 SER N N -14.049 0.981 0.765 1.00 . A A . 4 SER N 1 1 2 482 1 1 4 SER O O -13.498 3.310 3.006 1.00 . A A . 4 SER O 1 1 2 483 1 1 4 SER OG O -14.804 -1.011 3.134 1.00 . A A . 4 SER OG 1 1 2 484 1 1 5 ALA C C -9.404 2.476 2.490 1.00 . A A . 5 ALA C 1 1 2 485 1 1 5 ALA CA C -10.767 2.850 3.059 1.00 . A A . 5 ALA CA 1 1 2 486 1 1 5 ALA CB C -10.697 2.941 4.576 1.00 . A A . 5 ALA CB 1 1 2 487 1 1 5 ALA H H -11.515 0.994 2.372 1.00 . A A . 5 ALA H 1 1 2 488 1 1 5 ALA HA H -11.052 3.819 2.677 1.00 . A A . 5 ALA HA 1 1 2 489 1 1 5 ALA HB1 H -11.628 3.333 4.956 1.00 . A A . 5 ALA HB1 1 1 2 490 1 1 5 ALA HB2 H -9.886 3.596 4.859 1.00 . A A . 5 ALA HB2 1 1 2 491 1 1 5 ALA HB3 H -10.525 1.957 4.987 1.00 . A A . 5 ALA HB3 1 1 2 492 1 1 5 ALA N N -11.787 1.891 2.656 1.00 . A A . 5 ALA N 1 1 2 493 1 1 5 ALA O O -8.883 1.392 2.759 1.00 . A A . 5 ALA O 1 1 2 494 1 1 6 MET C C -6.420 3.256 2.145 1.00 . A A . 6 MET C 1 1 2 495 1 1 6 MET CA C -7.525 3.146 1.102 1.00 . A A . 6 MET CA 1 1 2 496 1 1 6 MET CB C -7.280 4.158 -0.015 1.00 . A A . 6 MET CB 1 1 2 497 1 1 6 MET CE C -7.533 5.431 -3.512 1.00 . A A . 6 MET CE 1 1 2 498 1 1 6 MET CG C -8.064 3.871 -1.284 1.00 . A A . 6 MET CG 1 1 2 499 1 1 6 MET H H -9.287 4.225 1.530 1.00 . A A . 6 MET H 1 1 2 500 1 1 6 MET HA H -7.521 2.150 0.685 1.00 . A A . 6 MET HA 1 1 2 501 1 1 6 MET HB2 H -7.554 5.138 0.340 1.00 . A A . 6 MET HB2 1 1 2 502 1 1 6 MET HB3 H -6.231 4.160 -0.257 1.00 . A A . 6 MET HB3 1 1 2 503 1 1 6 MET HE1 H -8.093 5.241 -4.416 1.00 . A A . 6 MET HE1 1 1 2 504 1 1 6 MET HE2 H -6.765 4.680 -3.400 1.00 . A A . 6 MET HE2 1 1 2 505 1 1 6 MET HE3 H -7.076 6.407 -3.571 1.00 . A A . 6 MET HE3 1 1 2 506 1 1 6 MET HG2 H -7.431 3.326 -1.968 1.00 . A A . 6 MET HG2 1 1 2 507 1 1 6 MET HG3 H -8.923 3.266 -1.031 1.00 . A A . 6 MET HG3 1 1 2 508 1 1 6 MET N N -8.827 3.379 1.706 1.00 . A A . 6 MET N 1 1 2 509 1 1 6 MET O O -6.683 3.547 3.312 1.00 . A A . 6 MET O 1 1 2 510 1 1 6 MET SD S -8.636 5.373 -2.102 1.00 . A A . 6 MET SD 1 1 2 511 1 1 7 TRP C C -2.858 3.810 1.957 1.00 . A A . 7 TRP C 1 1 2 512 1 1 7 TRP CA C -4.043 3.125 2.620 1.00 . A A . 7 TRP CA 1 1 2 513 1 1 7 TRP CB C -3.627 1.742 3.136 1.00 . A A . 7 TRP CB 1 1 2 514 1 1 7 TRP CD1 C -4.294 -0.022 1.387 1.00 . A A . 7 TRP CD1 1 1 2 515 1 1 7 TRP CD2 C -2.086 0.318 1.557 1.00 . A A . 7 TRP CD2 1 1 2 516 1 1 7 TRP CE2 C -2.314 -0.671 0.580 1.00 . A A . 7 TRP CE2 1 1 2 517 1 1 7 TRP CE3 C -0.768 0.698 1.832 1.00 . A A . 7 TRP CE3 1 1 2 518 1 1 7 TRP CG C -3.366 0.722 2.061 1.00 . A A . 7 TRP CG 1 1 2 519 1 1 7 TRP CH2 C 0.003 -0.893 0.172 1.00 . A A . 7 TRP CH2 1 1 2 520 1 1 7 TRP CZ2 C -1.277 -1.285 -0.117 1.00 . A A . 7 TRP CZ2 1 1 2 521 1 1 7 TRP CZ3 C 0.262 0.088 1.136 1.00 . A A . 7 TRP CZ3 1 1 2 522 1 1 7 TRP H H -5.037 2.820 0.772 1.00 . A A . 7 TRP H 1 1 2 523 1 1 7 TRP HA H -4.351 3.725 3.464 1.00 . A A . 7 TRP HA 1 1 2 524 1 1 7 TRP HB2 H -2.720 1.847 3.712 1.00 . A A . 7 TRP HB2 1 1 2 525 1 1 7 TRP HB3 H -4.405 1.362 3.776 1.00 . A A . 7 TRP HB3 1 1 2 526 1 1 7 TRP HD1 H -5.360 0.050 1.543 1.00 . A A . 7 TRP HD1 1 1 2 527 1 1 7 TRP HE1 H -4.118 -1.493 -0.112 1.00 . A A . 7 TRP HE1 1 1 2 528 1 1 7 TRP HE3 H -0.548 1.453 2.572 1.00 . A A . 7 TRP HE3 1 1 2 529 1 1 7 TRP HH2 H 0.841 -1.339 -0.352 1.00 . A A . 7 TRP HH2 1 1 2 530 1 1 7 TRP HZ2 H -1.462 -2.050 -0.857 1.00 . A A . 7 TRP HZ2 1 1 2 531 1 1 7 TRP HZ3 H 1.284 0.369 1.335 1.00 . A A . 7 TRP HZ3 1 1 2 532 1 1 7 TRP N N -5.184 3.035 1.716 1.00 . A A . 7 TRP N 1 1 2 533 1 1 7 TRP NE1 N -3.668 -0.861 0.493 1.00 . A A . 7 TRP NE1 1 1 2 534 1 1 7 TRP O O -2.775 3.896 0.732 1.00 . A A . 7 TRP O 1 1 2 535 1 1 8 ALA C C 0.483 4.083 2.504 1.00 . A A . 8 ALA C 1 1 2 536 1 1 8 ALA CA C -0.742 4.965 2.303 1.00 . A A . 8 ALA CA 1 1 2 537 1 1 8 ALA CB C -0.563 6.298 3.013 1.00 . A A . 8 ALA CB 1 1 2 538 1 1 8 ALA H H -2.070 4.176 3.751 1.00 . A A . 8 ALA H 1 1 2 539 1 1 8 ALA HA H -0.870 5.157 1.245 1.00 . A A . 8 ALA HA 1 1 2 540 1 1 8 ALA HB1 H -1.469 6.879 2.923 1.00 . A A . 8 ALA HB1 1 1 2 541 1 1 8 ALA HB2 H 0.257 6.838 2.563 1.00 . A A . 8 ALA HB2 1 1 2 542 1 1 8 ALA HB3 H -0.350 6.124 4.058 1.00 . A A . 8 ALA HB3 1 1 2 543 1 1 8 ALA N N -1.940 4.288 2.786 1.00 . A A . 8 ALA N 1 1 2 544 1 1 8 ALA O O 0.852 3.764 3.634 1.00 . A A . 8 ALA O 1 1 2 545 1 1 9 CYS C C 3.460 3.543 2.086 1.00 . A A . 9 CYS C 1 1 2 546 1 1 9 CYS CA C 2.277 2.827 1.454 1.00 . A A . 9 CYS CA 1 1 2 547 1 1 9 CYS CB C 2.645 2.356 0.050 1.00 . A A . 9 CYS CB 1 1 2 548 1 1 9 CYS H H 0.761 3.966 0.532 1.00 . A A . 9 CYS H 1 1 2 549 1 1 9 CYS HA H 2.031 1.968 2.056 1.00 . A A . 9 CYS HA 1 1 2 550 1 1 9 CYS HB2 H 1.750 2.021 -0.459 1.00 . A A . 9 CYS HB2 1 1 2 551 1 1 9 CYS HB3 H 3.075 3.182 -0.497 1.00 . A A . 9 CYS HB3 1 1 2 552 1 1 9 CYS N N 1.103 3.682 1.403 1.00 . A A . 9 CYS N 1 1 2 553 1 1 9 CYS O O 3.497 4.772 2.146 1.00 . A A . 9 CYS O 1 1 2 554 1 1 9 CYS SG S 3.838 0.995 0.017 1.00 . A A . 9 CYS SG 1 1 2 555 1 1 10 GLN C C 6.871 2.940 2.376 1.00 . A A . 10 GLN C 1 1 2 556 1 1 10 GLN CA C 5.622 3.323 3.167 1.00 . A A . 10 GLN CA 1 1 2 557 1 1 10 GLN CB C 5.749 2.842 4.614 1.00 . A A . 10 GLN CB 1 1 2 558 1 1 10 GLN CD C 4.923 5.056 5.509 1.00 . A A . 10 GLN CD 1 1 2 559 1 1 10 GLN CG C 4.802 3.546 5.573 1.00 . A A . 10 GLN CG 1 1 2 560 1 1 10 GLN H H 4.346 1.792 2.467 1.00 . A A . 10 GLN H 1 1 2 561 1 1 10 GLN HA H 5.520 4.397 3.160 1.00 . A A . 10 GLN HA 1 1 2 562 1 1 10 GLN HB2 H 5.540 1.783 4.649 1.00 . A A . 10 GLN HB2 1 1 2 563 1 1 10 GLN HB3 H 6.760 3.013 4.951 1.00 . A A . 10 GLN HB3 1 1 2 564 1 1 10 GLN HE21 H 3.619 5.120 4.008 1.00 . A A . 10 GLN HE21 1 1 2 565 1 1 10 GLN HE22 H 4.248 6.645 4.521 1.00 . A A . 10 GLN HE22 1 1 2 566 1 1 10 GLN HG2 H 3.789 3.270 5.325 1.00 . A A . 10 GLN HG2 1 1 2 567 1 1 10 GLN HG3 H 5.026 3.224 6.580 1.00 . A A . 10 GLN HG3 1 1 2 568 1 1 10 GLN N N 4.431 2.765 2.548 1.00 . A A . 10 GLN N 1 1 2 569 1 1 10 GLN NE2 N 4.189 5.669 4.586 1.00 . A A . 10 GLN NE2 1 1 2 570 1 1 10 GLN O O 7.938 2.719 2.948 1.00 . A A . 10 GLN O 1 1 2 571 1 1 10 GLN OE1 O 5.666 5.665 6.278 1.00 . A A . 10 GLN OE1 1 1 2 572 1 1 11 HIS C C 7.816 3.436 -1.044 1.00 . A A . 11 HIS C 1 1 2 573 1 1 11 HIS CA C 7.839 2.531 0.177 1.00 . A A . 11 HIS CA 1 1 2 574 1 1 11 HIS CB C 7.754 1.064 -0.250 1.00 . A A . 11 HIS CB 1 1 2 575 1 1 11 HIS CD2 C 9.619 -0.637 0.319 1.00 . A A . 11 HIS CD2 1 1 2 576 1 1 11 HIS CE1 C 11.108 0.018 -1.151 1.00 . A A . 11 HIS CE1 1 1 2 577 1 1 11 HIS CG C 9.089 0.397 -0.367 1.00 . A A . 11 HIS CG 1 1 2 578 1 1 11 HIS H H 5.853 3.070 0.655 1.00 . A A . 11 HIS H 1 1 2 579 1 1 11 HIS HA H 8.760 2.694 0.719 1.00 . A A . 11 HIS HA 1 1 2 580 1 1 11 HIS HB2 H 7.174 0.518 0.479 1.00 . A A . 11 HIS HB2 1 1 2 581 1 1 11 HIS HB3 H 7.265 1.004 -1.210 1.00 . A A . 11 HIS HB3 1 1 2 582 1 1 11 HIS HD1 H 9.956 1.515 -1.929 1.00 . A A . 11 HIS HD1 1 1 2 583 1 1 11 HIS HD2 H 9.144 -1.191 1.118 1.00 . A A . 11 HIS HD2 1 1 2 584 1 1 11 HIS HE1 H 12.017 0.090 -1.734 1.00 . A A . 11 HIS HE1 1 1 2 585 1 1 11 HIS HE2 H 11.536 -1.482 0.174 1.00 . A A . 11 HIS HE2 1 1 2 586 1 1 11 HIS N N 6.729 2.875 1.055 1.00 . A A . 11 HIS N 1 1 2 587 1 1 11 HIS ND1 N 10.041 0.787 -1.282 1.00 . A A . 11 HIS ND1 1 1 2 588 1 1 11 HIS NE2 N 10.880 -0.853 -0.187 1.00 . A A . 11 HIS NE2 1 1 2 589 1 1 11 HIS O O 8.775 4.156 -1.320 1.00 . A A . 11 HIS O 1 1 2 590 1 1 12 CYS C C 5.939 5.589 -2.503 1.00 . A A . 12 CYS C 1 1 2 591 1 1 12 CYS CA C 6.513 4.241 -2.923 1.00 . A A . 12 CYS CA 1 1 2 592 1 1 12 CYS CB C 5.576 3.554 -3.908 1.00 . A A . 12 CYS CB 1 1 2 593 1 1 12 CYS H H 5.961 2.834 -1.473 1.00 . A A . 12 CYS H 1 1 2 594 1 1 12 CYS HA H 7.476 4.392 -3.387 1.00 . A A . 12 CYS HA 1 1 2 595 1 1 12 CYS HB2 H 5.300 4.261 -4.655 1.00 . A A . 12 CYS HB2 1 1 2 596 1 1 12 CYS HB3 H 6.091 2.726 -4.371 1.00 . A A . 12 CYS HB3 1 1 2 597 1 1 12 CYS N N 6.696 3.411 -1.755 1.00 . A A . 12 CYS N 1 1 2 598 1 1 12 CYS O O 6.255 6.621 -3.089 1.00 . A A . 12 CYS O 1 1 2 599 1 1 12 CYS SG S 4.050 2.920 -3.182 1.00 . A A . 12 CYS SG 1 1 2 600 1 1 13 THR C C 3.220 7.147 -1.701 1.00 . A A . 13 THR C 1 1 2 601 1 1 13 THR CA C 4.458 6.741 -0.904 1.00 . A A . 13 THR CA 1 1 2 602 1 1 13 THR CB C 5.459 7.907 -0.790 1.00 . A A . 13 THR CB 1 1 2 603 1 1 13 THR CG2 C 5.494 8.840 -1.989 1.00 . A A . 13 THR CG2 1 1 2 604 1 1 13 THR H H 4.910 4.675 -1.057 1.00 . A A . 13 THR H 1 1 2 605 1 1 13 THR HA H 4.136 6.479 0.092 1.00 . A A . 13 THR HA 1 1 2 606 1 1 13 THR HB H 6.448 7.494 -0.667 1.00 . A A . 13 THR HB 1 1 2 607 1 1 13 THR HG1 H 5.818 8.522 1.033 1.00 . A A . 13 THR HG1 1 1 2 608 1 1 13 THR HG21 H 5.006 9.769 -1.735 1.00 . A A . 13 THR HG21 1 1 2 609 1 1 13 THR HG22 H 4.982 8.381 -2.821 1.00 . A A . 13 THR HG22 1 1 2 610 1 1 13 THR HG23 H 6.520 9.036 -2.262 1.00 . A A . 13 THR HG23 1 1 2 611 1 1 13 THR N N 5.101 5.548 -1.466 1.00 . A A . 13 THR N 1 1 2 612 1 1 13 THR O O 2.930 8.333 -1.867 1.00 . A A . 13 THR O 1 1 2 613 1 1 13 THR OG1 O 5.169 8.697 0.348 1.00 . A A . 13 THR OG1 1 1 2 614 1 1 14 PHE C C 0.071 5.772 -2.228 1.00 . A A . 14 PHE C 1 1 2 615 1 1 14 PHE CA C 1.266 6.398 -2.930 1.00 . A A . 14 PHE CA 1 1 2 616 1 1 14 PHE CB C 1.403 5.829 -4.339 1.00 . A A . 14 PHE CB 1 1 2 617 1 1 14 PHE CD1 C -0.120 7.401 -5.567 1.00 . A A . 14 PHE CD1 1 1 2 618 1 1 14 PHE CD2 C -0.547 5.058 -5.717 1.00 . A A . 14 PHE CD2 1 1 2 619 1 1 14 PHE CE1 C -1.206 7.653 -6.382 1.00 . A A . 14 PHE CE1 1 1 2 620 1 1 14 PHE CE2 C -1.635 5.306 -6.533 1.00 . A A . 14 PHE CE2 1 1 2 621 1 1 14 PHE CG C 0.221 6.101 -5.225 1.00 . A A . 14 PHE CG 1 1 2 622 1 1 14 PHE CZ C -1.965 6.605 -6.866 1.00 . A A . 14 PHE CZ 1 1 2 623 1 1 14 PHE H H 2.748 5.231 -1.997 1.00 . A A . 14 PHE H 1 1 2 624 1 1 14 PHE HA H 1.119 7.464 -2.992 1.00 . A A . 14 PHE HA 1 1 2 625 1 1 14 PHE HB2 H 2.270 6.262 -4.804 1.00 . A A . 14 PHE HB2 1 1 2 626 1 1 14 PHE HB3 H 1.532 4.759 -4.275 1.00 . A A . 14 PHE HB3 1 1 2 627 1 1 14 PHE HD1 H 0.472 8.220 -5.189 1.00 . A A . 14 PHE HD1 1 1 2 628 1 1 14 PHE HD2 H -0.291 4.042 -5.457 1.00 . A A . 14 PHE HD2 1 1 2 629 1 1 14 PHE HE1 H -1.462 8.671 -6.641 1.00 . A A . 14 PHE HE1 1 1 2 630 1 1 14 PHE HE2 H -2.227 4.484 -6.909 1.00 . A A . 14 PHE HE2 1 1 2 631 1 1 14 PHE HZ H -2.814 6.801 -7.503 1.00 . A A . 14 PHE HZ 1 1 2 632 1 1 14 PHE N N 2.479 6.154 -2.172 1.00 . A A . 14 PHE N 1 1 2 633 1 1 14 PHE O O 0.224 4.949 -1.327 1.00 . A A . 14 PHE O 1 1 2 634 1 1 15 MET C C -2.721 4.333 -2.755 1.00 . A A . 15 MET C 1 1 2 635 1 1 15 MET CA C -2.346 5.634 -2.077 1.00 . A A . 15 MET CA 1 1 2 636 1 1 15 MET CB C -3.483 6.648 -2.202 1.00 . A A . 15 MET CB 1 1 2 637 1 1 15 MET CE C -5.763 8.608 -2.484 1.00 . A A . 15 MET CE 1 1 2 638 1 1 15 MET CG C -4.771 6.205 -1.526 1.00 . A A . 15 MET CG 1 1 2 639 1 1 15 MET H H -1.168 6.816 -3.381 1.00 . A A . 15 MET H 1 1 2 640 1 1 15 MET HA H -2.163 5.426 -1.030 1.00 . A A . 15 MET HA 1 1 2 641 1 1 15 MET HB2 H -3.171 7.580 -1.755 1.00 . A A . 15 MET HB2 1 1 2 642 1 1 15 MET HB3 H -3.691 6.813 -3.249 1.00 . A A . 15 MET HB3 1 1 2 643 1 1 15 MET HE1 H -4.828 9.148 -2.527 1.00 . A A . 15 MET HE1 1 1 2 644 1 1 15 MET HE2 H -6.584 9.309 -2.459 1.00 . A A . 15 MET HE2 1 1 2 645 1 1 15 MET HE3 H -5.855 7.978 -3.357 1.00 . A A . 15 MET HE3 1 1 2 646 1 1 15 MET HG2 H -5.334 5.597 -2.219 1.00 . A A . 15 MET HG2 1 1 2 647 1 1 15 MET HG3 H -4.520 5.616 -0.655 1.00 . A A . 15 MET HG3 1 1 2 648 1 1 15 MET N N -1.117 6.163 -2.656 1.00 . A A . 15 MET N 1 1 2 649 1 1 15 MET O O -2.370 4.097 -3.911 1.00 . A A . 15 MET O 1 1 2 650 1 1 15 MET SD S -5.799 7.594 -1.009 1.00 . A A . 15 MET SD 1 1 2 651 1 1 16 ASN C C -5.198 1.800 -2.098 1.00 . A A . 16 ASN C 1 1 2 652 1 1 16 ASN CA C -3.781 2.180 -2.529 1.00 . A A . 16 ASN CA 1 1 2 653 1 1 16 ASN CB C -2.781 1.161 -2.015 1.00 . A A . 16 ASN CB 1 1 2 654 1 1 16 ASN CG C -2.472 0.081 -3.027 1.00 . A A . 16 ASN CG 1 1 2 655 1 1 16 ASN H H -3.622 3.709 -1.090 1.00 . A A . 16 ASN H 1 1 2 656 1 1 16 ASN HA H -3.733 2.212 -3.606 1.00 . A A . 16 ASN HA 1 1 2 657 1 1 16 ASN HB2 H -1.860 1.666 -1.769 1.00 . A A . 16 ASN HB2 1 1 2 658 1 1 16 ASN HB3 H -3.177 0.710 -1.127 1.00 . A A . 16 ASN HB3 1 1 2 659 1 1 16 ASN HD21 H -1.337 1.349 -4.053 1.00 . A A . 16 ASN HD21 1 1 2 660 1 1 16 ASN HD22 H -1.462 -0.245 -4.704 1.00 . A A . 16 ASN HD22 1 1 2 661 1 1 16 ASN N N -3.400 3.477 -2.016 1.00 . A A . 16 ASN N 1 1 2 662 1 1 16 ASN ND2 N -1.676 0.429 -4.029 1.00 . A A . 16 ASN ND2 1 1 2 663 1 1 16 ASN O O -5.679 2.246 -1.059 1.00 . A A . 16 ASN O 1 1 2 664 1 1 16 ASN OD1 O -2.933 -1.049 -2.907 1.00 . A A . 16 ASN OD1 1 1 2 665 1 1 17 GLN C C -7.264 -0.324 -1.345 1.00 . A A . 17 GLN C 1 1 2 666 1 1 17 GLN CA C -7.217 0.537 -2.607 1.00 . A A . 17 GLN CA 1 1 2 667 1 1 17 GLN CB C -7.791 -0.235 -3.788 1.00 . A A . 17 GLN CB 1 1 2 668 1 1 17 GLN CD C -9.840 1.128 -4.368 1.00 . A A . 17 GLN CD 1 1 2 669 1 1 17 GLN CG C -8.475 0.647 -4.820 1.00 . A A . 17 GLN CG 1 1 2 670 1 1 17 GLN H H -5.419 0.651 -3.719 1.00 . A A . 17 GLN H 1 1 2 671 1 1 17 GLN HA H -7.814 1.412 -2.452 1.00 . A A . 17 GLN HA 1 1 2 672 1 1 17 GLN HB2 H -6.987 -0.753 -4.270 1.00 . A A . 17 GLN HB2 1 1 2 673 1 1 17 GLN HB3 H -8.509 -0.954 -3.424 1.00 . A A . 17 GLN HB3 1 1 2 674 1 1 17 GLN HE21 H -9.157 2.988 -4.204 1.00 . A A . 17 GLN HE21 1 1 2 675 1 1 17 GLN HE22 H -10.822 2.761 -3.803 1.00 . A A . 17 GLN HE22 1 1 2 676 1 1 17 GLN HG2 H -7.852 1.509 -5.009 1.00 . A A . 17 GLN HG2 1 1 2 677 1 1 17 GLN HG3 H -8.592 0.083 -5.734 1.00 . A A . 17 GLN HG3 1 1 2 678 1 1 17 GLN N N -5.857 0.973 -2.904 1.00 . A A . 17 GLN N 1 1 2 679 1 1 17 GLN NE2 N -9.951 2.423 -4.098 1.00 . A A . 17 GLN NE2 1 1 2 680 1 1 17 GLN O O -6.241 -0.846 -0.900 1.00 . A A . 17 GLN O 1 1 2 681 1 1 17 GLN OE1 O -10.784 0.344 -4.262 1.00 . A A . 17 GLN OE1 1 1 2 682 1 1 18 PRO C C -8.521 -2.779 0.229 1.00 . A A . 18 PRO C 1 1 2 683 1 1 18 PRO CA C -8.641 -1.277 0.475 1.00 . A A . 18 PRO CA 1 1 2 684 1 1 18 PRO CB C -10.063 -0.927 0.916 1.00 . A A . 18 PRO CB 1 1 2 685 1 1 18 PRO CD C -9.728 0.114 -1.209 1.00 . A A . 18 PRO CD 1 1 2 686 1 1 18 PRO CG C -10.764 -0.544 -0.339 1.00 . A A . 18 PRO CG 1 1 2 687 1 1 18 PRO HA H -7.942 -0.985 1.244 1.00 . A A . 18 PRO HA 1 1 2 688 1 1 18 PRO HB2 H -10.521 -1.788 1.381 1.00 . A A . 18 PRO HB2 1 1 2 689 1 1 18 PRO HB3 H -10.034 -0.106 1.617 1.00 . A A . 18 PRO HB3 1 1 2 690 1 1 18 PRO HD2 H -9.905 -0.120 -2.247 1.00 . A A . 18 PRO HD2 1 1 2 691 1 1 18 PRO HD3 H -9.731 1.183 -1.055 1.00 . A A . 18 PRO HD3 1 1 2 692 1 1 18 PRO HG2 H -11.155 -1.426 -0.825 1.00 . A A . 18 PRO HG2 1 1 2 693 1 1 18 PRO HG3 H -11.562 0.149 -0.119 1.00 . A A . 18 PRO HG3 1 1 2 694 1 1 18 PRO N N -8.460 -0.480 -0.746 1.00 . A A . 18 PRO N 1 1 2 695 1 1 18 PRO O O -8.477 -3.568 1.174 1.00 . A A . 18 PRO O 1 1 2 696 1 1 19 GLY C C -6.985 -4.920 -1.952 1.00 . A A . 19 GLY C 1 1 2 697 1 1 19 GLY CA C -8.344 -4.582 -1.373 1.00 . A A . 19 GLY CA 1 1 2 698 1 1 19 GLY H H -8.496 -2.505 -1.755 1.00 . A A . 19 GLY H 1 1 2 699 1 1 19 GLY HA2 H -8.500 -5.168 -0.480 1.00 . A A . 19 GLY HA2 1 1 2 700 1 1 19 GLY HA3 H -9.105 -4.836 -2.095 1.00 . A A . 19 GLY HA3 1 1 2 701 1 1 19 GLY N N -8.463 -3.174 -1.039 1.00 . A A . 19 GLY N 1 1 2 702 1 1 19 GLY O O -6.633 -6.091 -2.090 1.00 . A A . 19 GLY O 1 1 2 703 1 1 20 THR C C -3.831 -4.021 -1.773 1.00 . A A . 20 THR C 1 1 2 704 1 1 20 THR CA C -4.894 -4.062 -2.859 1.00 . A A . 20 THR CA 1 1 2 705 1 1 20 THR CB C -4.625 -2.964 -3.882 1.00 . A A . 20 THR CB 1 1 2 706 1 1 20 THR CG2 C -5.211 -3.257 -5.239 1.00 . A A . 20 THR CG2 1 1 2 707 1 1 20 THR H H -6.563 -2.979 -2.156 1.00 . A A . 20 THR H 1 1 2 708 1 1 20 THR HA H -4.856 -5.020 -3.352 1.00 . A A . 20 THR HA 1 1 2 709 1 1 20 THR HB H -3.557 -2.852 -3.997 1.00 . A A . 20 THR HB 1 1 2 710 1 1 20 THR HG1 H -4.716 -1.454 -2.638 1.00 . A A . 20 THR HG1 1 1 2 711 1 1 20 THR HG21 H -4.791 -2.577 -5.964 1.00 . A A . 20 THR HG21 1 1 2 712 1 1 20 THR HG22 H -6.282 -3.128 -5.201 1.00 . A A . 20 THR HG22 1 1 2 713 1 1 20 THR HG23 H -4.978 -4.272 -5.518 1.00 . A A . 20 THR HG23 1 1 2 714 1 1 20 THR N N -6.222 -3.888 -2.290 1.00 . A A . 20 THR N 1 1 2 715 1 1 20 THR O O -2.926 -3.191 -1.816 1.00 . A A . 20 THR O 1 1 2 716 1 1 20 THR OG1 O -5.161 -1.729 -3.443 1.00 . A A . 20 THR OG1 1 1 2 717 1 1 21 GLY C C -1.545 -4.814 -0.224 1.00 . A A . 21 GLY C 1 1 2 718 1 1 21 GLY CA C -2.966 -4.959 0.278 1.00 . A A . 21 GLY CA 1 1 2 719 1 1 21 GLY H H -4.679 -5.561 -0.815 1.00 . A A . 21 GLY H 1 1 2 720 1 1 21 GLY HA2 H -3.176 -4.156 0.968 1.00 . A A . 21 GLY HA2 1 1 2 721 1 1 21 GLY HA3 H -3.056 -5.895 0.797 1.00 . A A . 21 GLY HA3 1 1 2 722 1 1 21 GLY N N -3.938 -4.919 -0.799 1.00 . A A . 21 GLY N 1 1 2 723 1 1 21 GLY O O -0.686 -4.268 0.466 1.00 . A A . 21 GLY O 1 1 2 724 1 1 22 HIS C C 0.285 -3.734 -2.432 1.00 . A A . 22 HIS C 1 1 2 725 1 1 22 HIS CA C 0.021 -5.186 -2.033 1.00 . A A . 22 HIS CA 1 1 2 726 1 1 22 HIS CB C 0.150 -6.130 -3.232 1.00 . A A . 22 HIS CB 1 1 2 727 1 1 22 HIS CD2 C 1.290 -8.453 -3.040 1.00 . A A . 22 HIS CD2 1 1 2 728 1 1 22 HIS CE1 C -0.312 -9.509 -1.978 1.00 . A A . 22 HIS CE1 1 1 2 729 1 1 22 HIS CG C 0.279 -7.572 -2.848 1.00 . A A . 22 HIS CG 1 1 2 730 1 1 22 HIS H H -2.028 -5.700 -1.953 1.00 . A A . 22 HIS H 1 1 2 731 1 1 22 HIS HA H 0.736 -5.471 -1.277 1.00 . A A . 22 HIS HA 1 1 2 732 1 1 22 HIS HB2 H -0.726 -6.031 -3.855 1.00 . A A . 22 HIS HB2 1 1 2 733 1 1 22 HIS HB3 H 1.025 -5.858 -3.803 1.00 . A A . 22 HIS HB3 1 1 2 734 1 1 22 HIS HD1 H -1.572 -7.899 -1.896 1.00 . A A . 22 HIS HD1 1 1 2 735 1 1 22 HIS HD2 H 2.230 -8.252 -3.535 1.00 . A A . 22 HIS HD2 1 1 2 736 1 1 22 HIS HE1 H -0.880 -10.280 -1.480 1.00 . A A . 22 HIS HE1 1 1 2 737 1 1 22 HIS HE2 H 1.458 -10.447 -2.404 1.00 . A A . 22 HIS HE2 1 1 2 738 1 1 22 HIS N N -1.301 -5.288 -1.440 1.00 . A A . 22 HIS N 1 1 2 739 1 1 22 HIS ND1 N -0.709 -8.265 -2.180 1.00 . A A . 22 HIS ND1 1 1 2 740 1 1 22 HIS NE2 N 0.896 -9.648 -2.492 1.00 . A A . 22 HIS NE2 1 1 2 741 1 1 22 HIS O O 0.420 -2.878 -1.567 1.00 . A A . 22 HIS O 1 1 2 742 1 1 23 CYS C C 0.705 -2.024 -5.704 1.00 . A A . 23 CYS C 1 1 2 743 1 1 23 CYS CA C 0.566 -2.082 -4.189 1.00 . A A . 23 CYS CA 1 1 2 744 1 1 23 CYS CB C 1.809 -1.483 -3.534 1.00 . A A . 23 CYS CB 1 1 2 745 1 1 23 CYS H H 0.222 -4.152 -4.386 1.00 . A A . 23 CYS H 1 1 2 746 1 1 23 CYS HA H -0.292 -1.497 -3.900 1.00 . A A . 23 CYS HA 1 1 2 747 1 1 23 CYS HB2 H 2.159 -2.143 -2.762 1.00 . A A . 23 CYS HB2 1 1 2 748 1 1 23 CYS HB3 H 2.578 -1.377 -4.274 1.00 . A A . 23 CYS HB3 1 1 2 749 1 1 23 CYS N N 0.343 -3.445 -3.729 1.00 . A A . 23 CYS N 1 1 2 750 1 1 23 CYS O O 1.067 -3.009 -6.348 1.00 . A A . 23 CYS O 1 1 2 751 1 1 23 CYS SG S 1.531 0.142 -2.794 1.00 . A A . 23 CYS SG 1 1 2 752 1 1 24 GLU C C 1.726 0.246 -8.018 1.00 . A A . 24 GLU C 1 1 2 753 1 1 24 GLU CA C 0.529 -0.644 -7.699 1.00 . A A . 24 GLU CA 1 1 2 754 1 1 24 GLU CB C -0.756 -0.013 -8.241 1.00 . A A . 24 GLU CB 1 1 2 755 1 1 24 GLU CD C -3.088 -0.818 -8.784 1.00 . A A . 24 GLU CD 1 1 2 756 1 1 24 GLU CG C -1.606 -0.972 -9.059 1.00 . A A . 24 GLU CG 1 1 2 757 1 1 24 GLU H H 0.154 -0.105 -5.693 1.00 . A A . 24 GLU H 1 1 2 758 1 1 24 GLU HA H 0.674 -1.607 -8.166 1.00 . A A . 24 GLU HA 1 1 2 759 1 1 24 GLU HB2 H -1.349 0.336 -7.409 1.00 . A A . 24 GLU HB2 1 1 2 760 1 1 24 GLU HB3 H -0.498 0.828 -8.866 1.00 . A A . 24 GLU HB3 1 1 2 761 1 1 24 GLU HG2 H -1.429 -0.784 -10.108 1.00 . A A . 24 GLU HG2 1 1 2 762 1 1 24 GLU HG3 H -1.313 -1.984 -8.822 1.00 . A A . 24 GLU HG3 1 1 2 763 1 1 24 GLU N N 0.425 -0.853 -6.263 1.00 . A A . 24 GLU N 1 1 2 764 1 1 24 GLU O O 1.768 0.902 -9.057 1.00 . A A . 24 GLU O 1 1 2 765 1 1 24 GLU OE1 O -3.678 0.182 -9.242 1.00 . A A . 24 GLU OE1 1 1 2 766 1 1 24 GLU OE2 O -3.661 -1.700 -8.108 1.00 . A A . 24 GLU OE2 1 1 2 767 1 1 25 MET C C 5.134 0.222 -6.983 1.00 . A A . 25 MET C 1 1 2 768 1 1 25 MET CA C 3.900 1.058 -7.288 1.00 . A A . 25 MET CA 1 1 2 769 1 1 25 MET CB C 3.858 2.290 -6.384 1.00 . A A . 25 MET CB 1 1 2 770 1 1 25 MET CE C 1.702 4.243 -9.186 1.00 . A A . 25 MET CE 1 1 2 771 1 1 25 MET CG C 3.377 3.547 -7.091 1.00 . A A . 25 MET CG 1 1 2 772 1 1 25 MET H H 2.614 -0.291 -6.302 1.00 . A A . 25 MET H 1 1 2 773 1 1 25 MET HA H 3.939 1.376 -8.319 1.00 . A A . 25 MET HA 1 1 2 774 1 1 25 MET HB2 H 3.194 2.092 -5.557 1.00 . A A . 25 MET HB2 1 1 2 775 1 1 25 MET HB3 H 4.851 2.477 -6.002 1.00 . A A . 25 MET HB3 1 1 2 776 1 1 25 MET HE1 H 0.942 3.817 -9.825 1.00 . A A . 25 MET HE1 1 1 2 777 1 1 25 MET HE2 H 2.673 4.088 -9.630 1.00 . A A . 25 MET HE2 1 1 2 778 1 1 25 MET HE3 H 1.524 5.302 -9.070 1.00 . A A . 25 MET HE3 1 1 2 779 1 1 25 MET HG2 H 3.500 4.388 -6.425 1.00 . A A . 25 MET HG2 1 1 2 780 1 1 25 MET HG3 H 3.980 3.699 -7.975 1.00 . A A . 25 MET HG3 1 1 2 781 1 1 25 MET N N 2.701 0.258 -7.111 1.00 . A A . 25 MET N 1 1 2 782 1 1 25 MET O O 5.992 0.031 -7.844 1.00 . A A . 25 MET O 1 1 2 783 1 1 25 MET SD S 1.646 3.449 -7.582 1.00 . A A . 25 MET SD 1 1 2 784 1 1 26 CYS C C 6.126 -2.561 -5.765 1.00 . A A . 26 CYS C 1 1 2 785 1 1 26 CYS CA C 6.344 -1.105 -5.362 1.00 . A A . 26 CYS CA 1 1 2 786 1 1 26 CYS CB C 6.569 -1.008 -3.856 1.00 . A A . 26 CYS CB 1 1 2 787 1 1 26 CYS H H 4.506 -0.110 -5.101 1.00 . A A . 26 CYS H 1 1 2 788 1 1 26 CYS HA H 7.219 -0.730 -5.872 1.00 . A A . 26 CYS HA 1 1 2 789 1 1 26 CYS HB2 H 7.206 -1.810 -3.561 1.00 . A A . 26 CYS HB2 1 1 2 790 1 1 26 CYS HB3 H 7.051 -0.068 -3.629 1.00 . A A . 26 CYS HB3 1 1 2 791 1 1 26 CYS N N 5.218 -0.285 -5.755 1.00 . A A . 26 CYS N 1 1 2 792 1 1 26 CYS O O 7.005 -3.181 -6.363 1.00 . A A . 26 CYS O 1 1 2 793 1 1 26 CYS SG S 5.073 -1.119 -2.852 1.00 . A A . 26 CYS SG 1 1 2 794 1 1 27 SER C C 4.893 -5.342 -4.482 1.00 . A A . 27 SER C 1 1 2 795 1 1 27 SER CA C 4.596 -4.493 -5.702 1.00 . A A . 27 SER CA 1 1 2 796 1 1 27 SER CB C 5.346 -5.035 -6.919 1.00 . A A . 27 SER CB 1 1 2 797 1 1 27 SER H H 4.314 -2.552 -4.911 1.00 . A A . 27 SER H 1 1 2 798 1 1 27 SER HA H 3.537 -4.527 -5.898 1.00 . A A . 27 SER HA 1 1 2 799 1 1 27 SER HB2 H 5.375 -4.275 -7.684 1.00 . A A . 27 SER HB2 1 1 2 800 1 1 27 SER HB3 H 6.351 -5.296 -6.629 1.00 . A A . 27 SER HB3 1 1 2 801 1 1 27 SER HG H 4.568 -6.074 -8.386 1.00 . A A . 27 SER HG 1 1 2 802 1 1 27 SER N N 4.954 -3.101 -5.411 1.00 . A A . 27 SER N 1 1 2 803 1 1 27 SER O O 5.325 -6.489 -4.583 1.00 . A A . 27 SER O 1 1 2 804 1 1 27 SER OG O 4.706 -6.186 -7.442 1.00 . A A . 27 SER OG 1 1 2 805 1 1 28 LEU C C 3.638 -5.419 -1.233 1.00 . A A . 28 LEU C 1 1 2 806 1 1 28 LEU CA C 4.919 -5.364 -2.055 1.00 . A A . 28 LEU CA 1 1 2 807 1 1 28 LEU CB C 5.980 -4.558 -1.324 1.00 . A A . 28 LEU CB 1 1 2 808 1 1 28 LEU CD1 C 8.393 -4.091 -0.836 1.00 . A A . 28 LEU CD1 1 1 2 809 1 1 28 LEU CD2 C 7.569 -6.451 -0.881 1.00 . A A . 28 LEU CD2 1 1 2 810 1 1 28 LEU CG C 7.411 -5.061 -1.479 1.00 . A A . 28 LEU CG 1 1 2 811 1 1 28 LEU H H 4.346 -3.815 -3.330 1.00 . A A . 28 LEU H 1 1 2 812 1 1 28 LEU HA H 5.283 -6.365 -2.225 1.00 . A A . 28 LEU HA 1 1 2 813 1 1 28 LEU HB2 H 5.939 -3.550 -1.697 1.00 . A A . 28 LEU HB2 1 1 2 814 1 1 28 LEU HB3 H 5.728 -4.536 -0.290 1.00 . A A . 28 LEU HB3 1 1 2 815 1 1 28 LEU HD11 H 9.243 -4.636 -0.454 1.00 . A A . 28 LEU HD11 1 1 2 816 1 1 28 LEU HD12 H 7.898 -3.570 -0.024 1.00 . A A . 28 LEU HD12 1 1 2 817 1 1 28 LEU HD13 H 8.725 -3.375 -1.572 1.00 . A A . 28 LEU HD13 1 1 2 818 1 1 28 LEU HD21 H 7.555 -6.382 0.196 1.00 . A A . 28 LEU HD21 1 1 2 819 1 1 28 LEU HD22 H 8.510 -6.877 -1.205 1.00 . A A . 28 LEU HD22 1 1 2 820 1 1 28 LEU HD23 H 6.761 -7.083 -1.209 1.00 . A A . 28 LEU HD23 1 1 2 821 1 1 28 LEU HG H 7.648 -5.121 -2.532 1.00 . A A . 28 LEU HG 1 1 2 822 1 1 28 LEU N N 4.673 -4.734 -3.327 1.00 . A A . 28 LEU N 1 1 2 823 1 1 28 LEU O O 2.636 -4.813 -1.599 1.00 . A A . 28 LEU O 1 1 2 824 1 1 29 PRO C C 2.297 -5.053 1.666 1.00 . A A . 29 PRO C 1 1 2 825 1 1 29 PRO CA C 2.501 -6.276 0.776 1.00 . A A . 29 PRO CA 1 1 2 826 1 1 29 PRO CB C 2.854 -7.499 1.620 1.00 . A A . 29 PRO CB 1 1 2 827 1 1 29 PRO CD C 4.830 -6.881 0.398 1.00 . A A . 29 PRO CD 1 1 2 828 1 1 29 PRO CG C 4.344 -7.493 1.688 1.00 . A A . 29 PRO CG 1 1 2 829 1 1 29 PRO HA H 1.598 -6.470 0.217 1.00 . A A . 29 PRO HA 1 1 2 830 1 1 29 PRO HB2 H 2.412 -7.403 2.601 1.00 . A A . 29 PRO HB2 1 1 2 831 1 1 29 PRO HB3 H 2.486 -8.393 1.138 1.00 . A A . 29 PRO HB3 1 1 2 832 1 1 29 PRO HD2 H 5.650 -6.207 0.585 1.00 . A A . 29 PRO HD2 1 1 2 833 1 1 29 PRO HD3 H 5.126 -7.648 -0.299 1.00 . A A . 29 PRO HD3 1 1 2 834 1 1 29 PRO HG2 H 4.670 -6.899 2.529 1.00 . A A . 29 PRO HG2 1 1 2 835 1 1 29 PRO HG3 H 4.710 -8.505 1.782 1.00 . A A . 29 PRO HG3 1 1 2 836 1 1 29 PRO N N 3.662 -6.142 -0.105 1.00 . A A . 29 PRO N 1 1 2 837 1 1 29 PRO O O 3.209 -4.246 1.847 1.00 . A A . 29 PRO O 1 1 2 838 1 1 30 ARG C C 1.488 -3.926 4.434 1.00 . A A . 30 ARG C 1 1 2 839 1 1 30 ARG CA C 0.770 -3.807 3.100 1.00 . A A . 30 ARG CA 1 1 2 840 1 1 30 ARG CB C -0.740 -3.737 3.319 1.00 . A A . 30 ARG CB 1 1 2 841 1 1 30 ARG CD C -2.827 -2.336 3.260 1.00 . A A . 30 ARG CD 1 1 2 842 1 1 30 ARG CG C -1.307 -2.329 3.217 1.00 . A A . 30 ARG CG 1 1 2 843 1 1 30 ARG CZ C -3.314 -2.927 5.602 1.00 . A A . 30 ARG CZ 1 1 2 844 1 1 30 ARG H H 0.412 -5.606 2.048 1.00 . A A . 30 ARG H 1 1 2 845 1 1 30 ARG HA H 1.100 -2.909 2.618 1.00 . A A . 30 ARG HA 1 1 2 846 1 1 30 ARG HB2 H -1.226 -4.353 2.581 1.00 . A A . 30 ARG HB2 1 1 2 847 1 1 30 ARG HB3 H -0.968 -4.123 4.299 1.00 . A A . 30 ARG HB3 1 1 2 848 1 1 30 ARG HD2 H -3.173 -1.331 3.449 1.00 . A A . 30 ARG HD2 1 1 2 849 1 1 30 ARG HD3 H -3.200 -2.671 2.302 1.00 . A A . 30 ARG HD3 1 1 2 850 1 1 30 ARG HE H -3.733 -4.073 4.023 1.00 . A A . 30 ARG HE 1 1 2 851 1 1 30 ARG HG2 H -0.937 -1.742 4.044 1.00 . A A . 30 ARG HG2 1 1 2 852 1 1 30 ARG HG3 H -0.982 -1.889 2.286 1.00 . A A . 30 ARG HG3 1 1 2 853 1 1 30 ARG HH11 H -2.423 -1.127 5.359 1.00 . A A . 30 ARG HH11 1 1 2 854 1 1 30 ARG HH12 H -2.776 -1.565 6.997 1.00 . A A . 30 ARG HH12 1 1 2 855 1 1 30 ARG HH21 H -4.199 -4.651 6.176 1.00 . A A . 30 ARG HH21 1 1 2 856 1 1 30 ARG HH22 H -3.784 -3.565 7.461 1.00 . A A . 30 ARG HH22 1 1 2 857 1 1 30 ARG N N 1.095 -4.926 2.223 1.00 . A A . 30 ARG N 1 1 2 858 1 1 30 ARG NE N -3.343 -3.218 4.303 1.00 . A A . 30 ARG NE 1 1 2 859 1 1 30 ARG NH1 N -2.795 -1.778 6.019 1.00 . A A . 30 ARG NH1 1 1 2 860 1 1 30 ARG NH2 N -3.806 -3.784 6.486 1.00 . A A . 30 ARG NH2 1 1 2 861 1 1 30 ARG O O 1.476 -2.999 5.245 1.00 . A A . 30 ARG O 1 1 2 862 1 1 31 THR C C 4.039 -6.218 5.632 1.00 . A A . 31 THR C 1 1 2 863 1 1 31 THR CA C 2.826 -5.326 5.887 1.00 . A A . 31 THR CA 1 1 2 864 1 1 31 THR CB C 1.890 -5.976 6.908 1.00 . A A . 31 THR CB 1 1 2 865 1 1 31 THR CG2 C 2.602 -6.521 8.129 1.00 . A A . 31 THR CG2 1 1 2 866 1 1 31 THR H H 2.068 -5.764 3.966 1.00 . A A . 31 THR H 1 1 2 867 1 1 31 THR HA H 3.164 -4.375 6.271 1.00 . A A . 31 THR HA 1 1 2 868 1 1 31 THR HB H 1.374 -6.796 6.429 1.00 . A A . 31 THR HB 1 1 2 869 1 1 31 THR HG1 H 0.052 -5.453 7.337 1.00 . A A . 31 THR HG1 1 1 2 870 1 1 31 THR HG21 H 1.890 -7.023 8.767 1.00 . A A . 31 THR HG21 1 1 2 871 1 1 31 THR HG22 H 3.061 -5.708 8.671 1.00 . A A . 31 THR HG22 1 1 2 872 1 1 31 THR HG23 H 3.363 -7.222 7.819 1.00 . A A . 31 THR HG23 1 1 2 873 1 1 31 THR N N 2.105 -5.071 4.653 1.00 . A A . 31 THR N 1 1 2 874 1 1 31 THR O O 3.911 -7.316 5.090 1.00 . A A . 31 THR O 1 1 2 875 1 1 31 THR OG1 O 0.921 -5.046 7.358 1.00 . A A . 31 THR OG1 1 1 2 876 2 2 1 ZN ZN ZN 3.822 0.754 -2.397 1.00 . B A . 32 ZN ZN 1 1 3 877 1 1 1 GLY C C -18.886 0.403 -1.164 1.00 . A A . 1 GLY C 1 1 3 878 1 1 1 GLY CA C -20.032 0.600 -0.191 1.00 . A A . 1 GLY CA 1 1 3 879 1 1 1 GLY H1 H -20.391 1.354 1.724 1.00 . A A . 1 GLY H1 1 1 3 880 1 1 1 GLY H2 H -19.428 2.358 0.762 1.00 . A A . 1 GLY H2 1 1 3 881 1 1 1 GLY H3 H -18.772 0.953 1.437 1.00 . A A . 1 GLY H3 1 1 3 882 1 1 1 GLY HA2 H -20.396 -0.369 0.119 1.00 . A A . 1 GLY HA2 1 1 3 883 1 1 1 GLY HA3 H -20.829 1.128 -0.692 1.00 . A A . 1 GLY HA3 1 1 3 884 1 1 1 GLY N N -19.627 1.370 1.017 1.00 . A A . 1 GLY N 1 1 3 885 1 1 1 GLY O O -18.215 1.362 -1.544 1.00 . A A . 1 GLY O 1 1 3 886 1 1 2 SER C C -16.223 -0.955 -1.864 1.00 . A A . 2 SER C 1 1 3 887 1 1 2 SER CA C -17.591 -1.169 -2.505 1.00 . A A . 2 SER CA 1 1 3 888 1 1 2 SER CB C -17.713 -0.323 -3.775 1.00 . A A . 2 SER CB 1 1 3 889 1 1 2 SER H H -19.235 -1.565 -1.230 1.00 . A A . 2 SER H 1 1 3 890 1 1 2 SER HA H -17.690 -2.212 -2.769 1.00 . A A . 2 SER HA 1 1 3 891 1 1 2 SER HB2 H -18.709 0.091 -3.835 1.00 . A A . 2 SER HB2 1 1 3 892 1 1 2 SER HB3 H -16.992 0.480 -3.742 1.00 . A A . 2 SER HB3 1 1 3 893 1 1 2 SER HG H -17.289 -0.526 -5.677 1.00 . A A . 2 SER HG 1 1 3 894 1 1 2 SER N N -18.663 -0.844 -1.568 1.00 . A A . 2 SER N 1 1 3 895 1 1 2 SER O O -15.506 -1.912 -1.573 1.00 . A A . 2 SER O 1 1 3 896 1 1 2 SER OG O -17.475 -1.104 -4.933 1.00 . A A . 2 SER OG 1 1 3 897 1 1 3 THR C C -14.774 1.141 0.390 1.00 . A A . 3 THR C 1 1 3 898 1 1 3 THR CA C -14.585 0.646 -1.039 1.00 . A A . 3 THR CA 1 1 3 899 1 1 3 THR CB C -13.870 1.712 -1.870 1.00 . A A . 3 THR CB 1 1 3 900 1 1 3 THR CG2 C -12.504 2.075 -1.331 1.00 . A A . 3 THR CG2 1 1 3 901 1 1 3 THR H H -16.481 1.027 -1.900 1.00 . A A . 3 THR H 1 1 3 902 1 1 3 THR HA H -13.981 -0.249 -1.021 1.00 . A A . 3 THR HA 1 1 3 903 1 1 3 THR HB H -14.472 2.610 -1.879 1.00 . A A . 3 THR HB 1 1 3 904 1 1 3 THR HG1 H -14.237 1.821 -3.792 1.00 . A A . 3 THR HG1 1 1 3 905 1 1 3 THR HG21 H -12.471 1.878 -0.270 1.00 . A A . 3 THR HG21 1 1 3 906 1 1 3 THR HG22 H -12.313 3.123 -1.509 1.00 . A A . 3 THR HG22 1 1 3 907 1 1 3 THR HG23 H -11.750 1.483 -1.830 1.00 . A A . 3 THR HG23 1 1 3 908 1 1 3 THR N N -15.868 0.307 -1.647 1.00 . A A . 3 THR N 1 1 3 909 1 1 3 THR O O -15.624 1.991 0.657 1.00 . A A . 3 THR O 1 1 3 910 1 1 3 THR OG1 O -13.703 1.277 -3.208 1.00 . A A . 3 THR OG1 1 1 3 911 1 1 4 SER C C -13.102 2.146 3.012 1.00 . A A . 4 SER C 1 1 3 912 1 1 4 SER CA C -14.056 0.992 2.711 1.00 . A A . 4 SER CA 1 1 3 913 1 1 4 SER CB C -13.731 -0.202 3.611 1.00 . A A . 4 SER CB 1 1 3 914 1 1 4 SER H H -13.317 -0.068 1.034 1.00 . A A . 4 SER H 1 1 3 915 1 1 4 SER HA H -15.065 1.316 2.908 1.00 . A A . 4 SER HA 1 1 3 916 1 1 4 SER HB2 H -13.882 -1.117 3.059 1.00 . A A . 4 SER HB2 1 1 3 917 1 1 4 SER HB3 H -12.700 -0.140 3.929 1.00 . A A . 4 SER HB3 1 1 3 918 1 1 4 SER HG H -15.359 -0.721 4.569 1.00 . A A . 4 SER HG 1 1 3 919 1 1 4 SER N N -13.976 0.605 1.307 1.00 . A A . 4 SER N 1 1 3 920 1 1 4 SER O O -13.534 3.266 3.280 1.00 . A A . 4 SER O 1 1 3 921 1 1 4 SER OG O -14.563 -0.217 4.758 1.00 . A A . 4 SER OG 1 1 3 922 1 1 5 ALA C C -9.449 2.485 2.624 1.00 . A A . 5 ALA C 1 1 3 923 1 1 5 ALA CA C -10.792 2.876 3.232 1.00 . A A . 5 ALA CA 1 1 3 924 1 1 5 ALA CB C -10.650 3.097 4.730 1.00 . A A . 5 ALA CB 1 1 3 925 1 1 5 ALA H H -11.522 0.951 2.744 1.00 . A A . 5 ALA H 1 1 3 926 1 1 5 ALA HA H -11.122 3.802 2.785 1.00 . A A . 5 ALA HA 1 1 3 927 1 1 5 ALA HB1 H -11.621 3.303 5.157 1.00 . A A . 5 ALA HB1 1 1 3 928 1 1 5 ALA HB2 H -9.992 3.934 4.910 1.00 . A A . 5 ALA HB2 1 1 3 929 1 1 5 ALA HB3 H -10.237 2.210 5.187 1.00 . A A . 5 ALA HB3 1 1 3 930 1 1 5 ALA N N -11.805 1.862 2.964 1.00 . A A . 5 ALA N 1 1 3 931 1 1 5 ALA O O -8.933 1.397 2.882 1.00 . A A . 5 ALA O 1 1 3 932 1 1 6 MET C C -6.469 3.210 2.184 1.00 . A A . 6 MET C 1 1 3 933 1 1 6 MET CA C -7.606 3.129 1.174 1.00 . A A . 6 MET CA 1 1 3 934 1 1 6 MET CB C -7.375 4.149 0.061 1.00 . A A . 6 MET CB 1 1 3 935 1 1 6 MET CE C -10.703 4.837 -0.547 1.00 . A A . 6 MET CE 1 1 3 936 1 1 6 MET CG C -8.186 3.874 -1.197 1.00 . A A . 6 MET CG 1 1 3 937 1 1 6 MET H H -9.344 4.229 1.652 1.00 . A A . 6 MET H 1 1 3 938 1 1 6 MET HA H -7.630 2.138 0.748 1.00 . A A . 6 MET HA 1 1 3 939 1 1 6 MET HB2 H -7.638 5.126 0.429 1.00 . A A . 6 MET HB2 1 1 3 940 1 1 6 MET HB3 H -6.331 4.147 -0.203 1.00 . A A . 6 MET HB3 1 1 3 941 1 1 6 MET HE1 H -10.677 5.474 0.325 1.00 . A A . 6 MET HE1 1 1 3 942 1 1 6 MET HE2 H -10.646 3.803 -0.239 1.00 . A A . 6 MET HE2 1 1 3 943 1 1 6 MET HE3 H -11.625 5.001 -1.086 1.00 . A A . 6 MET HE3 1 1 3 944 1 1 6 MET HG2 H -7.506 3.729 -2.023 1.00 . A A . 6 MET HG2 1 1 3 945 1 1 6 MET HG3 H -8.763 2.974 -1.047 1.00 . A A . 6 MET HG3 1 1 3 946 1 1 6 MET N N -8.886 3.379 1.818 1.00 . A A . 6 MET N 1 1 3 947 1 1 6 MET O O -6.693 3.485 3.363 1.00 . A A . 6 MET O 1 1 3 948 1 1 6 MET SD S -9.314 5.220 -1.610 1.00 . A A . 6 MET SD 1 1 3 949 1 1 7 TRP C C -2.912 3.739 1.913 1.00 . A A . 7 TRP C 1 1 3 950 1 1 7 TRP CA C -4.082 3.044 2.590 1.00 . A A . 7 TRP CA 1 1 3 951 1 1 7 TRP CB C -3.661 1.651 3.070 1.00 . A A . 7 TRP CB 1 1 3 952 1 1 7 TRP CD1 C -4.284 -0.063 1.250 1.00 . A A . 7 TRP CD1 1 1 3 953 1 1 7 TRP CD2 C -2.081 0.254 1.507 1.00 . A A . 7 TRP CD2 1 1 3 954 1 1 7 TRP CE2 C -2.281 -0.708 0.499 1.00 . A A . 7 TRP CE2 1 1 3 955 1 1 7 TRP CE3 C -0.772 0.616 1.840 1.00 . A A . 7 TRP CE3 1 1 3 956 1 1 7 TRP CG C -3.374 0.657 1.978 1.00 . A A . 7 TRP CG 1 1 3 957 1 1 7 TRP CH2 C 0.048 -0.939 0.170 1.00 . A A . 7 TRP CH2 1 1 3 958 1 1 7 TRP CZ2 C -1.224 -1.312 -0.176 1.00 . A A . 7 TRP CZ2 1 1 3 959 1 1 7 TRP CZ3 C 0.278 0.017 1.167 1.00 . A A . 7 TRP CZ3 1 1 3 960 1 1 7 TRP H H -5.129 2.778 0.765 1.00 . A A . 7 TRP H 1 1 3 961 1 1 7 TRP HA H -4.365 3.629 3.453 1.00 . A A . 7 TRP HA 1 1 3 962 1 1 7 TRP HB2 H -2.764 1.747 3.663 1.00 . A A . 7 TRP HB2 1 1 3 963 1 1 7 TRP HB3 H -4.444 1.248 3.691 1.00 . A A . 7 TRP HB3 1 1 3 964 1 1 7 TRP HD1 H -5.355 0.013 1.370 1.00 . A A . 7 TRP HD1 1 1 3 965 1 1 7 TRP HE1 H -4.063 -1.502 -0.280 1.00 . A A . 7 TRP HE1 1 1 3 966 1 1 7 TRP HE3 H -0.573 1.352 2.605 1.00 . A A . 7 TRP HE3 1 1 3 967 1 1 7 TRP HH2 H 0.901 -1.379 -0.334 1.00 . A A . 7 TRP HH2 1 1 3 968 1 1 7 TRP HZ2 H -1.388 -2.058 -0.940 1.00 . A A . 7 TRP HZ2 1 1 3 969 1 1 7 TRP HZ3 H 1.295 0.284 1.411 1.00 . A A . 7 TRP HZ3 1 1 3 970 1 1 7 TRP N N -5.247 2.981 1.716 1.00 . A A . 7 TRP N 1 1 3 971 1 1 7 TRP NE1 N -3.632 -0.887 0.358 1.00 . A A . 7 TRP NE1 1 1 3 972 1 1 7 TRP O O -2.858 3.855 0.688 1.00 . A A . 7 TRP O 1 1 3 973 1 1 8 ALA C C 0.453 4.032 2.459 1.00 . A A . 8 ALA C 1 1 3 974 1 1 8 ALA CA C -0.788 4.886 2.241 1.00 . A A . 8 ALA CA 1 1 3 975 1 1 8 ALA CB C -0.635 6.234 2.928 1.00 . A A . 8 ALA CB 1 1 3 976 1 1 8 ALA H H -2.086 4.063 3.698 1.00 . A A . 8 ALA H 1 1 3 977 1 1 8 ALA HA H -0.917 5.059 1.180 1.00 . A A . 8 ALA HA 1 1 3 978 1 1 8 ALA HB1 H -0.474 6.082 3.985 1.00 . A A . 8 ALA HB1 1 1 3 979 1 1 8 ALA HB2 H -1.532 6.818 2.781 1.00 . A A . 8 ALA HB2 1 1 3 980 1 1 8 ALA HB3 H 0.210 6.759 2.508 1.00 . A A . 8 ALA HB3 1 1 3 981 1 1 8 ALA N N -1.975 4.197 2.732 1.00 . A A . 8 ALA N 1 1 3 982 1 1 8 ALA O O 0.813 3.720 3.593 1.00 . A A . 8 ALA O 1 1 3 983 1 1 9 CYS C C 3.450 3.566 2.082 1.00 . A A . 9 CYS C 1 1 3 984 1 1 9 CYS CA C 2.294 2.822 1.432 1.00 . A A . 9 CYS CA 1 1 3 985 1 1 9 CYS CB C 2.695 2.364 0.035 1.00 . A A . 9 CYS CB 1 1 3 986 1 1 9 CYS H H 0.764 3.929 0.489 1.00 . A A . 9 CYS H 1 1 3 987 1 1 9 CYS HA H 2.059 1.957 2.030 1.00 . A A . 9 CYS HA 1 1 3 988 1 1 9 CYS HB2 H 1.813 2.038 -0.498 1.00 . A A . 9 CYS HB2 1 1 3 989 1 1 9 CYS HB3 H 3.141 3.194 -0.493 1.00 . A A . 9 CYS HB3 1 1 3 990 1 1 9 CYS N N 1.100 3.650 1.366 1.00 . A A . 9 CYS N 1 1 3 991 1 1 9 CYS O O 3.444 4.794 2.170 1.00 . A A . 9 CYS O 1 1 3 992 1 1 9 CYS SG S 3.882 0.997 0.019 1.00 . A A . 9 CYS SG 1 1 3 993 1 1 10 GLN C C 6.885 3.057 2.365 1.00 . A A . 10 GLN C 1 1 3 994 1 1 10 GLN CA C 5.623 3.397 3.154 1.00 . A A . 10 GLN CA 1 1 3 995 1 1 10 GLN CB C 5.756 2.905 4.596 1.00 . A A . 10 GLN CB 1 1 3 996 1 1 10 GLN CD C 4.409 0.772 4.736 1.00 . A A . 10 GLN CD 1 1 3 997 1 1 10 GLN CG C 5.793 1.390 4.721 1.00 . A A . 10 GLN CG 1 1 3 998 1 1 10 GLN H H 4.400 1.840 2.420 1.00 . A A . 10 GLN H 1 1 3 999 1 1 10 GLN HA H 5.490 4.469 3.157 1.00 . A A . 10 GLN HA 1 1 3 1000 1 1 10 GLN HB2 H 6.667 3.303 5.018 1.00 . A A . 10 GLN HB2 1 1 3 1001 1 1 10 GLN HB3 H 4.916 3.271 5.168 1.00 . A A . 10 GLN HB3 1 1 3 1002 1 1 10 GLN HE21 H 4.855 -0.324 3.138 1.00 . A A . 10 GLN HE21 1 1 3 1003 1 1 10 GLN HE22 H 3.262 -0.534 3.772 1.00 . A A . 10 GLN HE22 1 1 3 1004 1 1 10 GLN HG2 H 6.343 0.986 3.885 1.00 . A A . 10 GLN HG2 1 1 3 1005 1 1 10 GLN HG3 H 6.298 1.131 5.642 1.00 . A A . 10 GLN HG3 1 1 3 1006 1 1 10 GLN N N 4.450 2.812 2.525 1.00 . A A . 10 GLN N 1 1 3 1007 1 1 10 GLN NE2 N 4.149 -0.119 3.786 1.00 . A A . 10 GLN NE2 1 1 3 1008 1 1 10 GLN O O 7.961 2.886 2.941 1.00 . A A . 10 GLN O 1 1 3 1009 1 1 10 GLN OE1 O 3.583 1.091 5.591 1.00 . A A . 10 GLN OE1 1 1 3 1010 1 1 11 HIS C C 7.813 3.550 -1.058 1.00 . A A . 11 HIS C 1 1 3 1011 1 1 11 HIS CA C 7.875 2.662 0.172 1.00 . A A . 11 HIS CA 1 1 3 1012 1 1 11 HIS CB C 7.853 1.189 -0.237 1.00 . A A . 11 HIS CB 1 1 3 1013 1 1 11 HIS CD2 C 10.218 0.143 -0.185 1.00 . A A . 11 HIS CD2 1 1 3 1014 1 1 11 HIS CE1 C 10.676 0.268 -2.326 1.00 . A A . 11 HIS CE1 1 1 3 1015 1 1 11 HIS CG C 9.154 0.703 -0.794 1.00 . A A . 11 HIS CG 1 1 3 1016 1 1 11 HIS H H 5.866 3.125 0.639 1.00 . A A . 11 HIS H 1 1 3 1017 1 1 11 HIS HA H 8.786 2.872 0.713 1.00 . A A . 11 HIS HA 1 1 3 1018 1 1 11 HIS HB2 H 7.617 0.585 0.627 1.00 . A A . 11 HIS HB2 1 1 3 1019 1 1 11 HIS HB3 H 7.093 1.043 -0.991 1.00 . A A . 11 HIS HB3 1 1 3 1020 1 1 11 HIS HD1 H 8.896 1.129 -2.842 1.00 . A A . 11 HIS HD1 1 1 3 1021 1 1 11 HIS HD2 H 10.326 -0.064 0.872 1.00 . A A . 11 HIS HD2 1 1 3 1022 1 1 11 HIS HE1 H 11.180 0.192 -3.275 1.00 . A A . 11 HIS HE1 1 1 3 1023 1 1 11 HIS HE2 H 12.061 -0.443 -1.001 1.00 . A A . 11 HIS HE2 1 1 3 1024 1 1 11 HIS N N 6.749 2.970 1.044 1.00 . A A . 11 HIS N 1 1 3 1025 1 1 11 HIS ND1 N 9.471 0.769 -2.134 1.00 . A A . 11 HIS ND1 1 1 3 1026 1 1 11 HIS NE2 N 11.153 -0.118 -1.158 1.00 . A A . 11 HIS NE2 1 1 3 1027 1 1 11 HIS O O 8.711 4.354 -1.308 1.00 . A A . 11 HIS O 1 1 3 1028 1 1 12 CYS C C 5.875 5.555 -2.573 1.00 . A A . 12 CYS C 1 1 3 1029 1 1 12 CYS CA C 6.503 4.229 -2.979 1.00 . A A . 12 CYS CA 1 1 3 1030 1 1 12 CYS CB C 5.590 3.491 -3.949 1.00 . A A . 12 CYS CB 1 1 3 1031 1 1 12 CYS H H 6.032 2.786 -1.537 1.00 . A A . 12 CYS H 1 1 3 1032 1 1 12 CYS HA H 7.455 4.413 -3.450 1.00 . A A . 12 CYS HA 1 1 3 1033 1 1 12 CYS HB2 H 5.314 4.164 -4.725 1.00 . A A . 12 CYS HB2 1 1 3 1034 1 1 12 CYS HB3 H 6.122 2.653 -4.372 1.00 . A A . 12 CYS HB3 1 1 3 1035 1 1 12 CYS N N 6.722 3.423 -1.801 1.00 . A A . 12 CYS N 1 1 3 1036 1 1 12 CYS O O 6.060 6.579 -3.231 1.00 . A A . 12 CYS O 1 1 3 1037 1 1 12 CYS SG S 4.063 2.864 -3.216 1.00 . A A . 12 CYS SG 1 1 3 1038 1 1 13 THR C C 3.271 7.093 -1.746 1.00 . A A . 13 THR C 1 1 3 1039 1 1 13 THR CA C 4.483 6.691 -0.916 1.00 . A A . 13 THR CA 1 1 3 1040 1 1 13 THR CB C 5.465 7.856 -0.796 1.00 . A A . 13 THR CB 1 1 3 1041 1 1 13 THR CG2 C 6.893 7.426 -0.528 1.00 . A A . 13 THR CG2 1 1 3 1042 1 1 13 THR H H 5.050 4.670 -0.991 1.00 . A A . 13 THR H 1 1 3 1043 1 1 13 THR HA H 4.139 6.430 0.075 1.00 . A A . 13 THR HA 1 1 3 1044 1 1 13 THR HB H 5.153 8.472 0.026 1.00 . A A . 13 THR HB 1 1 3 1045 1 1 13 THR HG1 H 5.341 9.568 -1.741 1.00 . A A . 13 THR HG1 1 1 3 1046 1 1 13 THR HG21 H 7.454 7.441 -1.452 1.00 . A A . 13 THR HG21 1 1 3 1047 1 1 13 THR HG22 H 6.897 6.425 -0.121 1.00 . A A . 13 THR HG22 1 1 3 1048 1 1 13 THR HG23 H 7.347 8.104 0.179 1.00 . A A . 13 THR HG23 1 1 3 1049 1 1 13 THR N N 5.142 5.517 -1.464 1.00 . A A . 13 THR N 1 1 3 1050 1 1 13 THR O O 3.035 8.277 -1.992 1.00 . A A . 13 THR O 1 1 3 1051 1 1 13 THR OG1 O 5.468 8.645 -1.973 1.00 . A A . 13 THR OG1 1 1 3 1052 1 1 14 PHE C C 0.079 5.786 -2.236 1.00 . A A . 14 PHE C 1 1 3 1053 1 1 14 PHE CA C 1.302 6.339 -2.948 1.00 . A A . 14 PHE CA 1 1 3 1054 1 1 14 PHE CB C 1.435 5.695 -4.325 1.00 . A A . 14 PHE CB 1 1 3 1055 1 1 14 PHE CD1 C 0.003 7.279 -5.643 1.00 . A A . 14 PHE CD1 1 1 3 1056 1 1 14 PHE CD2 C -0.520 4.954 -5.712 1.00 . A A . 14 PHE CD2 1 1 3 1057 1 1 14 PHE CE1 C -1.056 7.546 -6.489 1.00 . A A . 14 PHE CE1 1 1 3 1058 1 1 14 PHE CE2 C -1.581 5.215 -6.559 1.00 . A A . 14 PHE CE2 1 1 3 1059 1 1 14 PHE CG C 0.283 5.983 -5.245 1.00 . A A . 14 PHE CG 1 1 3 1060 1 1 14 PHE CZ C -1.849 6.513 -6.947 1.00 . A A . 14 PHE CZ 1 1 3 1061 1 1 14 PHE H H 2.733 5.181 -1.927 1.00 . A A . 14 PHE H 1 1 3 1062 1 1 14 PHE HA H 1.187 7.405 -3.067 1.00 . A A . 14 PHE HA 1 1 3 1063 1 1 14 PHE HB2 H 2.330 6.062 -4.794 1.00 . A A . 14 PHE HB2 1 1 3 1064 1 1 14 PHE HB3 H 1.510 4.626 -4.206 1.00 . A A . 14 PHE HB3 1 1 3 1065 1 1 14 PHE HD1 H 0.623 8.089 -5.285 1.00 . A A . 14 PHE HD1 1 1 3 1066 1 1 14 PHE HD2 H -0.311 3.939 -5.409 1.00 . A A . 14 PHE HD2 1 1 3 1067 1 1 14 PHE HE1 H -1.264 8.563 -6.791 1.00 . A A . 14 PHE HE1 1 1 3 1068 1 1 14 PHE HE2 H -2.200 4.405 -6.915 1.00 . A A . 14 PHE HE2 1 1 3 1069 1 1 14 PHE HZ H -2.678 6.718 -7.608 1.00 . A A . 14 PHE HZ 1 1 3 1070 1 1 14 PHE N N 2.498 6.099 -2.162 1.00 . A A . 14 PHE N 1 1 3 1071 1 1 14 PHE O O 0.193 4.996 -1.299 1.00 . A A . 14 PHE O 1 1 3 1072 1 1 15 MET C C -2.755 4.426 -2.760 1.00 . A A . 15 MET C 1 1 3 1073 1 1 15 MET CA C -2.344 5.736 -2.118 1.00 . A A . 15 MET CA 1 1 3 1074 1 1 15 MET CB C -3.442 6.785 -2.300 1.00 . A A . 15 MET CB 1 1 3 1075 1 1 15 MET CE C -6.174 8.996 -1.247 1.00 . A A . 15 MET CE 1 1 3 1076 1 1 15 MET CG C -4.408 6.863 -1.129 1.00 . A A . 15 MET CG 1 1 3 1077 1 1 15 MET H H -1.105 6.817 -3.451 1.00 . A A . 15 MET H 1 1 3 1078 1 1 15 MET HA H -2.184 5.560 -1.062 1.00 . A A . 15 MET HA 1 1 3 1079 1 1 15 MET HB2 H -2.981 7.754 -2.424 1.00 . A A . 15 MET HB2 1 1 3 1080 1 1 15 MET HB3 H -4.007 6.549 -3.189 1.00 . A A . 15 MET HB3 1 1 3 1081 1 1 15 MET HE1 H -7.187 9.347 -1.375 1.00 . A A . 15 MET HE1 1 1 3 1082 1 1 15 MET HE2 H -5.516 9.545 -1.905 1.00 . A A . 15 MET HE2 1 1 3 1083 1 1 15 MET HE3 H -5.868 9.148 -0.222 1.00 . A A . 15 MET HE3 1 1 3 1084 1 1 15 MET HG2 H -4.412 5.912 -0.619 1.00 . A A . 15 MET HG2 1 1 3 1085 1 1 15 MET HG3 H -4.067 7.631 -0.450 1.00 . A A . 15 MET HG3 1 1 3 1086 1 1 15 MET N N -1.089 6.196 -2.697 1.00 . A A . 15 MET N 1 1 3 1087 1 1 15 MET O O -2.448 4.167 -3.924 1.00 . A A . 15 MET O 1 1 3 1088 1 1 15 MET SD S -6.092 7.251 -1.642 1.00 . A A . 15 MET SD 1 1 3 1089 1 1 16 ASN C C -5.224 1.912 -1.984 1.00 . A A . 16 ASN C 1 1 3 1090 1 1 16 ASN CA C -3.823 2.283 -2.468 1.00 . A A . 16 ASN CA 1 1 3 1091 1 1 16 ASN CB C -2.811 1.257 -1.986 1.00 . A A . 16 ASN CB 1 1 3 1092 1 1 16 ASN CG C -2.617 0.124 -2.966 1.00 . A A . 16 ASN CG 1 1 3 1093 1 1 16 ASN H H -3.605 3.833 -1.055 1.00 . A A . 16 ASN H 1 1 3 1094 1 1 16 ASN HA H -3.816 2.306 -3.546 1.00 . A A . 16 ASN HA 1 1 3 1095 1 1 16 ASN HB2 H -1.859 1.744 -1.840 1.00 . A A . 16 ASN HB2 1 1 3 1096 1 1 16 ASN HB3 H -3.147 0.857 -1.049 1.00 . A A . 16 ASN HB3 1 1 3 1097 1 1 16 ASN HD21 H -1.255 1.187 -3.949 1.00 . A A . 16 ASN HD21 1 1 3 1098 1 1 16 ASN HD22 H -1.584 -0.385 -4.584 1.00 . A A . 16 ASN HD22 1 1 3 1099 1 1 16 ASN N N -3.414 3.584 -1.984 1.00 . A A . 16 ASN N 1 1 3 1100 1 1 16 ASN ND2 N -1.728 0.328 -3.931 1.00 . A A . 16 ASN ND2 1 1 3 1101 1 1 16 ASN O O -5.630 2.281 -0.884 1.00 . A A . 16 ASN O 1 1 3 1102 1 1 16 ASN OD1 O -3.253 -0.919 -2.858 1.00 . A A . 16 ASN OD1 1 1 3 1103 1 1 17 GLN C C -7.309 -0.206 -1.282 1.00 . A A . 17 GLN C 1 1 3 1104 1 1 17 GLN CA C -7.311 0.749 -2.477 1.00 . A A . 17 GLN CA 1 1 3 1105 1 1 17 GLN CB C -7.964 0.087 -3.683 1.00 . A A . 17 GLN CB 1 1 3 1106 1 1 17 GLN CD C -10.076 1.440 -4.003 1.00 . A A . 17 GLN CD 1 1 3 1107 1 1 17 GLN CG C -8.726 1.055 -4.574 1.00 . A A . 17 GLN CG 1 1 3 1108 1 1 17 GLN H H -5.574 0.907 -3.678 1.00 . A A . 17 GLN H 1 1 3 1109 1 1 17 GLN HA H -7.873 1.624 -2.223 1.00 . A A . 17 GLN HA 1 1 3 1110 1 1 17 GLN HB2 H -7.193 -0.370 -4.270 1.00 . A A . 17 GLN HB2 1 1 3 1111 1 1 17 GLN HB3 H -8.648 -0.675 -3.341 1.00 . A A . 17 GLN HB3 1 1 3 1112 1 1 17 GLN HE21 H -9.409 3.268 -3.594 1.00 . A A . 17 GLN HE21 1 1 3 1113 1 1 17 GLN HE22 H -11.054 2.956 -3.166 1.00 . A A . 17 GLN HE22 1 1 3 1114 1 1 17 GLN HG2 H -8.137 1.951 -4.696 1.00 . A A . 17 GLN HG2 1 1 3 1115 1 1 17 GLN HG3 H -8.878 0.591 -5.538 1.00 . A A . 17 GLN HG3 1 1 3 1116 1 1 17 GLN N N -5.955 1.174 -2.815 1.00 . A A . 17 GLN N 1 1 3 1117 1 1 17 GLN NE2 N -10.192 2.680 -3.541 1.00 . A A . 17 GLN NE2 1 1 3 1118 1 1 17 GLN O O -6.263 -0.725 -0.894 1.00 . A A . 17 GLN O 1 1 3 1119 1 1 17 GLN OE1 O -11.006 0.633 -3.977 1.00 . A A . 17 GLN OE1 1 1 3 1120 1 1 18 PRO C C -8.545 -2.817 0.117 1.00 . A A . 18 PRO C 1 1 3 1121 1 1 18 PRO CA C -8.617 -1.336 0.485 1.00 . A A . 18 PRO CA 1 1 3 1122 1 1 18 PRO CB C -10.001 -0.995 1.033 1.00 . A A . 18 PRO CB 1 1 3 1123 1 1 18 PRO CD C -9.787 0.138 -1.067 1.00 . A A . 18 PRO CD 1 1 3 1124 1 1 18 PRO CG C -10.774 -0.538 -0.154 1.00 . A A . 18 PRO CG 1 1 3 1125 1 1 18 PRO HA H -7.868 -1.117 1.232 1.00 . A A . 18 PRO HA 1 1 3 1126 1 1 18 PRO HB2 H -10.441 -1.875 1.479 1.00 . A A . 18 PRO HB2 1 1 3 1127 1 1 18 PRO HB3 H -9.917 -0.213 1.772 1.00 . A A . 18 PRO HB3 1 1 3 1128 1 1 18 PRO HD2 H -10.014 -0.088 -2.097 1.00 . A A . 18 PRO HD2 1 1 3 1129 1 1 18 PRO HD3 H -9.792 1.206 -0.904 1.00 . A A . 18 PRO HD3 1 1 3 1130 1 1 18 PRO HG2 H -11.220 -1.388 -0.649 1.00 . A A . 18 PRO HG2 1 1 3 1131 1 1 18 PRO HG3 H -11.539 0.160 0.153 1.00 . A A . 18 PRO HG3 1 1 3 1132 1 1 18 PRO N N -8.489 -0.446 -0.676 1.00 . A A . 18 PRO N 1 1 3 1133 1 1 18 PRO O O -8.566 -3.681 0.994 1.00 . A A . 18 PRO O 1 1 3 1134 1 1 19 GLY C C -7.002 -4.865 -2.113 1.00 . A A . 19 GLY C 1 1 3 1135 1 1 19 GLY CA C -8.385 -4.490 -1.619 1.00 . A A . 19 GLY CA 1 1 3 1136 1 1 19 GLY H H -8.443 -2.385 -1.837 1.00 . A A . 19 GLY H 1 1 3 1137 1 1 19 GLY HA2 H -8.649 -5.136 -0.794 1.00 . A A . 19 GLY HA2 1 1 3 1138 1 1 19 GLY HA3 H -9.094 -4.638 -2.420 1.00 . A A . 19 GLY HA3 1 1 3 1139 1 1 19 GLY N N -8.459 -3.109 -1.177 1.00 . A A . 19 GLY N 1 1 3 1140 1 1 19 GLY O O -6.664 -6.045 -2.198 1.00 . A A . 19 GLY O 1 1 3 1141 1 1 20 THR C C -3.836 -3.989 -1.799 1.00 . A A . 20 THR C 1 1 3 1142 1 1 20 THR CA C -4.850 -4.074 -2.929 1.00 . A A . 20 THR CA 1 1 3 1143 1 1 20 THR CB C -4.508 -3.043 -4.000 1.00 . A A . 20 THR CB 1 1 3 1144 1 1 20 THR CG2 C -4.768 -3.533 -5.400 1.00 . A A . 20 THR CG2 1 1 3 1145 1 1 20 THR H H -6.533 -2.938 -2.349 1.00 . A A . 20 THR H 1 1 3 1146 1 1 20 THR HA H -4.802 -5.060 -3.366 1.00 . A A . 20 THR HA 1 1 3 1147 1 1 20 THR HB H -3.459 -2.798 -3.926 1.00 . A A . 20 THR HB 1 1 3 1148 1 1 20 THR HG1 H -6.178 -2.020 -4.051 1.00 . A A . 20 THR HG1 1 1 3 1149 1 1 20 THR HG21 H -5.826 -3.702 -5.529 1.00 . A A . 20 THR HG21 1 1 3 1150 1 1 20 THR HG22 H -4.231 -4.454 -5.561 1.00 . A A . 20 THR HG22 1 1 3 1151 1 1 20 THR HG23 H -4.434 -2.788 -6.106 1.00 . A A . 20 THR HG23 1 1 3 1152 1 1 20 THR N N -6.203 -3.856 -2.439 1.00 . A A . 20 THR N 1 1 3 1153 1 1 20 THR O O -3.006 -3.084 -1.771 1.00 . A A . 20 THR O 1 1 3 1154 1 1 20 THR OG1 O -5.262 -1.857 -3.814 1.00 . A A . 20 THR OG1 1 1 3 1155 1 1 21 GLY C C -1.526 -4.800 -0.252 1.00 . A A . 21 GLY C 1 1 3 1156 1 1 21 GLY CA C -2.954 -4.934 0.231 1.00 . A A . 21 GLY CA 1 1 3 1157 1 1 21 GLY H H -4.569 -5.646 -0.942 1.00 . A A . 21 GLY H 1 1 3 1158 1 1 21 GLY HA2 H -3.183 -4.107 0.886 1.00 . A A . 21 GLY HA2 1 1 3 1159 1 1 21 GLY HA3 H -3.050 -5.852 0.779 1.00 . A A . 21 GLY HA3 1 1 3 1160 1 1 21 GLY N N -3.894 -4.938 -0.872 1.00 . A A . 21 GLY N 1 1 3 1161 1 1 21 GLY O O -0.677 -4.233 0.435 1.00 . A A . 21 GLY O 1 1 3 1162 1 1 22 HIS C C 0.342 -3.771 -2.433 1.00 . A A . 22 HIS C 1 1 3 1163 1 1 22 HIS CA C 0.063 -5.218 -2.031 1.00 . A A . 22 HIS CA 1 1 3 1164 1 1 22 HIS CB C 0.195 -6.169 -3.226 1.00 . A A . 22 HIS CB 1 1 3 1165 1 1 22 HIS CD2 C 1.336 -8.490 -3.027 1.00 . A A . 22 HIS CD2 1 1 3 1166 1 1 22 HIS CE1 C -0.260 -9.539 -1.950 1.00 . A A . 22 HIS CE1 1 1 3 1167 1 1 22 HIS CG C 0.327 -7.607 -2.833 1.00 . A A . 22 HIS CG 1 1 3 1168 1 1 22 HIS H H -1.987 -5.730 -1.964 1.00 . A A . 22 HIS H 1 1 3 1169 1 1 22 HIS HA H 0.768 -5.506 -1.267 1.00 . A A . 22 HIS HA 1 1 3 1170 1 1 22 HIS HB2 H -0.679 -6.074 -3.851 1.00 . A A . 22 HIS HB2 1 1 3 1171 1 1 22 HIS HB3 H 1.071 -5.898 -3.797 1.00 . A A . 22 HIS HB3 1 1 3 1172 1 1 22 HIS HD1 H -1.520 -7.929 -1.870 1.00 . A A . 22 HIS HD1 1 1 3 1173 1 1 22 HIS HD2 H 2.273 -8.292 -3.527 1.00 . A A . 22 HIS HD2 1 1 3 1174 1 1 22 HIS HE1 H -0.825 -10.309 -1.445 1.00 . A A . 22 HIS HE1 1 1 3 1175 1 1 22 HIS HE2 H 1.436 -10.528 -2.533 1.00 . A A . 22 HIS HE2 1 1 3 1176 1 1 22 HIS N N -1.265 -5.306 -1.453 1.00 . A A . 22 HIS N 1 1 3 1177 1 1 22 HIS ND1 N -0.658 -8.296 -2.157 1.00 . A A . 22 HIS ND1 1 1 3 1178 1 1 22 HIS NE2 N 0.945 -9.682 -2.470 1.00 . A A . 22 HIS NE2 1 1 3 1179 1 1 22 HIS O O 0.486 -2.915 -1.571 1.00 . A A . 22 HIS O 1 1 3 1180 1 1 23 CYS C C 0.824 -2.078 -5.705 1.00 . A A . 23 CYS C 1 1 3 1181 1 1 23 CYS CA C 0.643 -2.128 -4.195 1.00 . A A . 23 CYS CA 1 1 3 1182 1 1 23 CYS CB C 1.867 -1.526 -3.514 1.00 . A A . 23 CYS CB 1 1 3 1183 1 1 23 CYS H H 0.278 -4.192 -4.387 1.00 . A A . 23 CYS H 1 1 3 1184 1 1 23 CYS HA H -0.222 -1.539 -3.934 1.00 . A A . 23 CYS HA 1 1 3 1185 1 1 23 CYS HB2 H 2.214 -2.193 -2.746 1.00 . A A . 23 CYS HB2 1 1 3 1186 1 1 23 CYS HB3 H 2.645 -1.402 -4.242 1.00 . A A . 23 CYS HB3 1 1 3 1187 1 1 23 CYS N N 0.404 -3.486 -3.732 1.00 . A A . 23 CYS N 1 1 3 1188 1 1 23 CYS O O 1.355 -3.007 -6.312 1.00 . A A . 23 CYS O 1 1 3 1189 1 1 23 CYS SG S 1.560 0.086 -2.757 1.00 . A A . 23 CYS SG 1 1 3 1190 1 1 24 GLU C C 1.706 0.139 -8.031 1.00 . A A . 24 GLU C 1 1 3 1191 1 1 24 GLU CA C 0.523 -0.776 -7.733 1.00 . A A . 24 GLU CA 1 1 3 1192 1 1 24 GLU CB C -0.765 -0.182 -8.309 1.00 . A A . 24 GLU CB 1 1 3 1193 1 1 24 GLU CD C -3.064 -1.041 -8.903 1.00 . A A . 24 GLU CD 1 1 3 1194 1 1 24 GLU CG C -1.572 -1.167 -9.138 1.00 . A A . 24 GLU CG 1 1 3 1195 1 1 24 GLU H H -0.005 -0.263 -5.755 1.00 . A A . 24 GLU H 1 1 3 1196 1 1 24 GLU HA H 0.702 -1.739 -8.186 1.00 . A A . 24 GLU HA 1 1 3 1197 1 1 24 GLU HB2 H -1.384 0.160 -7.493 1.00 . A A . 24 GLU HB2 1 1 3 1198 1 1 24 GLU HB3 H -0.513 0.661 -8.934 1.00 . A A . 24 GLU HB3 1 1 3 1199 1 1 24 GLU HG2 H -1.371 -0.987 -10.183 1.00 . A A . 24 GLU HG2 1 1 3 1200 1 1 24 GLU HG3 H -1.264 -2.170 -8.881 1.00 . A A . 24 GLU HG3 1 1 3 1201 1 1 24 GLU N N 0.395 -0.972 -6.299 1.00 . A A . 24 GLU N 1 1 3 1202 1 1 24 GLU O O 1.734 0.822 -9.054 1.00 . A A . 24 GLU O 1 1 3 1203 1 1 24 GLU OE1 O -3.677 -0.110 -9.465 1.00 . A A . 24 GLU OE1 1 1 3 1204 1 1 24 GLU OE2 O -3.620 -1.876 -8.158 1.00 . A A . 24 GLU OE2 1 1 3 1205 1 1 25 MET C C 5.113 0.155 -6.975 1.00 . A A . 25 MET C 1 1 3 1206 1 1 25 MET CA C 3.868 0.969 -7.289 1.00 . A A . 25 MET CA 1 1 3 1207 1 1 25 MET CB C 3.794 2.196 -6.379 1.00 . A A . 25 MET CB 1 1 3 1208 1 1 25 MET CE C 1.558 3.783 -9.232 1.00 . A A . 25 MET CE 1 1 3 1209 1 1 25 MET CG C 3.263 3.438 -7.074 1.00 . A A . 25 MET CG 1 1 3 1210 1 1 25 MET H H 2.610 -0.426 -6.330 1.00 . A A . 25 MET H 1 1 3 1211 1 1 25 MET HA H 3.912 1.293 -8.317 1.00 . A A . 25 MET HA 1 1 3 1212 1 1 25 MET HB2 H 3.146 1.972 -5.545 1.00 . A A . 25 MET HB2 1 1 3 1213 1 1 25 MET HB3 H 4.784 2.414 -6.007 1.00 . A A . 25 MET HB3 1 1 3 1214 1 1 25 MET HE1 H 1.805 2.926 -9.841 1.00 . A A . 25 MET HE1 1 1 3 1215 1 1 25 MET HE2 H 2.303 4.551 -9.373 1.00 . A A . 25 MET HE2 1 1 3 1216 1 1 25 MET HE3 H 0.589 4.163 -9.521 1.00 . A A . 25 MET HE3 1 1 3 1217 1 1 25 MET HG2 H 3.389 4.284 -6.416 1.00 . A A . 25 MET HG2 1 1 3 1218 1 1 25 MET HG3 H 3.832 3.599 -7.978 1.00 . A A . 25 MET HG3 1 1 3 1219 1 1 25 MET N N 2.684 0.145 -7.127 1.00 . A A . 25 MET N 1 1 3 1220 1 1 25 MET O O 5.952 -0.070 -7.847 1.00 . A A . 25 MET O 1 1 3 1221 1 1 25 MET SD S 1.518 3.299 -7.508 1.00 . A A . 25 MET SD 1 1 3 1222 1 1 26 CYS C C 6.182 -2.554 -5.720 1.00 . A A . 26 CYS C 1 1 3 1223 1 1 26 CYS CA C 6.369 -1.090 -5.327 1.00 . A A . 26 CYS CA 1 1 3 1224 1 1 26 CYS CB C 6.586 -0.979 -3.822 1.00 . A A . 26 CYS CB 1 1 3 1225 1 1 26 CYS H H 4.531 -0.095 -5.064 1.00 . A A . 26 CYS H 1 1 3 1226 1 1 26 CYS HA H 7.238 -0.702 -5.836 1.00 . A A . 26 CYS HA 1 1 3 1227 1 1 26 CYS HB2 H 7.261 -1.747 -3.526 1.00 . A A . 26 CYS HB2 1 1 3 1228 1 1 26 CYS HB3 H 7.019 -0.015 -3.596 1.00 . A A . 26 CYS HB3 1 1 3 1229 1 1 26 CYS N N 5.228 -0.296 -5.729 1.00 . A A . 26 CYS N 1 1 3 1230 1 1 26 CYS O O 7.078 -3.163 -6.303 1.00 . A A . 26 CYS O 1 1 3 1231 1 1 26 CYS SG S 5.096 -1.165 -2.821 1.00 . A A . 26 CYS SG 1 1 3 1232 1 1 27 SER C C 4.983 -5.345 -4.422 1.00 . A A . 27 SER C 1 1 3 1233 1 1 27 SER CA C 4.689 -4.514 -5.655 1.00 . A A . 27 SER CA 1 1 3 1234 1 1 27 SER CB C 5.464 -5.054 -6.855 1.00 . A A . 27 SER CB 1 1 3 1235 1 1 27 SER H H 4.362 -2.572 -4.884 1.00 . A A . 27 SER H 1 1 3 1236 1 1 27 SER HA H 3.632 -4.569 -5.865 1.00 . A A . 27 SER HA 1 1 3 1237 1 1 27 SER HB2 H 5.490 -4.302 -7.628 1.00 . A A . 27 SER HB2 1 1 3 1238 1 1 27 SER HB3 H 6.470 -5.294 -6.548 1.00 . A A . 27 SER HB3 1 1 3 1239 1 1 27 SER HG H 3.982 -6.004 -7.717 1.00 . A A . 27 SER HG 1 1 3 1240 1 1 27 SER N N 5.017 -3.113 -5.372 1.00 . A A . 27 SER N 1 1 3 1241 1 1 27 SER O O 5.438 -6.486 -4.506 1.00 . A A . 27 SER O 1 1 3 1242 1 1 27 SER OG O 4.854 -6.223 -7.376 1.00 . A A . 27 SER OG 1 1 3 1243 1 1 28 LEU C C 3.680 -5.428 -1.194 1.00 . A A . 28 LEU C 1 1 3 1244 1 1 28 LEU CA C 4.973 -5.348 -1.994 1.00 . A A . 28 LEU CA 1 1 3 1245 1 1 28 LEU CB C 6.000 -4.510 -1.250 1.00 . A A . 28 LEU CB 1 1 3 1246 1 1 28 LEU CD1 C 8.388 -3.979 -0.725 1.00 . A A . 28 LEU CD1 1 1 3 1247 1 1 28 LEU CD2 C 7.624 -6.359 -0.763 1.00 . A A . 28 LEU CD2 1 1 3 1248 1 1 28 LEU CG C 7.444 -4.979 -1.375 1.00 . A A . 28 LEU CG 1 1 3 1249 1 1 28 LEU H H 4.388 -3.821 -3.292 1.00 . A A . 28 LEU H 1 1 3 1250 1 1 28 LEU HA H 5.363 -6.340 -2.151 1.00 . A A . 28 LEU HA 1 1 3 1251 1 1 28 LEU HB2 H 5.941 -3.507 -1.631 1.00 . A A . 28 LEU HB2 1 1 3 1252 1 1 28 LEU HB3 H 5.730 -4.488 -0.221 1.00 . A A . 28 LEU HB3 1 1 3 1253 1 1 28 LEU HD11 H 7.881 -3.484 0.090 1.00 . A A . 28 LEU HD11 1 1 3 1254 1 1 28 LEU HD12 H 8.696 -3.245 -1.456 1.00 . A A . 28 LEU HD12 1 1 3 1255 1 1 28 LEU HD13 H 9.257 -4.495 -0.348 1.00 . A A . 28 LEU HD13 1 1 3 1256 1 1 28 LEU HD21 H 7.595 -6.284 0.315 1.00 . A A . 28 LEU HD21 1 1 3 1257 1 1 28 LEU HD22 H 8.584 -6.762 -1.061 1.00 . A A . 28 LEU HD22 1 1 3 1258 1 1 28 LEU HD23 H 6.844 -7.015 -1.103 1.00 . A A . 28 LEU HD23 1 1 3 1259 1 1 28 LEU HG H 7.701 -5.043 -2.424 1.00 . A A . 28 LEU HG 1 1 3 1260 1 1 28 LEU N N 4.734 -4.734 -3.275 1.00 . A A . 28 LEU N 1 1 3 1261 1 1 28 LEU O O 2.672 -4.847 -1.581 1.00 . A A . 28 LEU O 1 1 3 1262 1 1 29 PRO C C 2.284 -5.089 1.690 1.00 . A A . 29 PRO C 1 1 3 1263 1 1 29 PRO CA C 2.525 -6.305 0.799 1.00 . A A . 29 PRO CA 1 1 3 1264 1 1 29 PRO CB C 2.888 -7.524 1.643 1.00 . A A . 29 PRO CB 1 1 3 1265 1 1 29 PRO CD C 4.873 -6.857 0.463 1.00 . A A . 29 PRO CD 1 1 3 1266 1 1 29 PRO CG C 4.376 -7.485 1.741 1.00 . A A . 29 PRO CG 1 1 3 1267 1 1 29 PRO HA H 1.636 -6.513 0.223 1.00 . A A . 29 PRO HA 1 1 3 1268 1 1 29 PRO HB2 H 2.424 -7.443 2.615 1.00 . A A . 29 PRO HB2 1 1 3 1269 1 1 29 PRO HB3 H 2.549 -8.422 1.149 1.00 . A A . 29 PRO HB3 1 1 3 1270 1 1 29 PRO HD2 H 5.673 -6.163 0.667 1.00 . A A . 29 PRO HD2 1 1 3 1271 1 1 29 PRO HD3 H 5.202 -7.616 -0.231 1.00 . A A . 29 PRO HD3 1 1 3 1272 1 1 29 PRO HG2 H 4.671 -6.887 2.590 1.00 . A A . 29 PRO HG2 1 1 3 1273 1 1 29 PRO HG3 H 4.763 -8.489 1.838 1.00 . A A . 29 PRO HG3 1 1 3 1274 1 1 29 PRO N N 3.698 -6.146 -0.064 1.00 . A A . 29 PRO N 1 1 3 1275 1 1 29 PRO O O 3.185 -4.279 1.908 1.00 . A A . 29 PRO O 1 1 3 1276 1 1 30 ARG C C 1.378 -3.991 4.440 1.00 . A A . 30 ARG C 1 1 3 1277 1 1 30 ARG CA C 0.703 -3.865 3.083 1.00 . A A . 30 ARG CA 1 1 3 1278 1 1 30 ARG CB C -0.814 -3.802 3.256 1.00 . A A . 30 ARG CB 1 1 3 1279 1 1 30 ARG CD C -2.901 -2.404 3.201 1.00 . A A . 30 ARG CD 1 1 3 1280 1 1 30 ARG CG C -1.381 -2.395 3.157 1.00 . A A . 30 ARG CG 1 1 3 1281 1 1 30 ARG CZ C -4.665 -1.332 4.548 1.00 . A A . 30 ARG CZ 1 1 3 1282 1 1 30 ARG H H 0.391 -5.657 2.007 1.00 . A A . 30 ARG H 1 1 3 1283 1 1 30 ARG HA H 1.045 -2.961 2.621 1.00 . A A . 30 ARG HA 1 1 3 1284 1 1 30 ARG HB2 H -1.274 -4.408 2.492 1.00 . A A . 30 ARG HB2 1 1 3 1285 1 1 30 ARG HB3 H -1.074 -4.203 4.220 1.00 . A A . 30 ARG HB3 1 1 3 1286 1 1 30 ARG HD2 H -3.277 -2.272 2.197 1.00 . A A . 30 ARG HD2 1 1 3 1287 1 1 30 ARG HD3 H -3.233 -3.357 3.586 1.00 . A A . 30 ARG HD3 1 1 3 1288 1 1 30 ARG HE H -2.836 -0.588 4.258 1.00 . A A . 30 ARG HE 1 1 3 1289 1 1 30 ARG HG2 H -1.011 -1.810 3.986 1.00 . A A . 30 ARG HG2 1 1 3 1290 1 1 30 ARG HG3 H -1.057 -1.952 2.228 1.00 . A A . 30 ARG HG3 1 1 3 1291 1 1 30 ARG HH11 H -5.205 -3.091 3.708 1.00 . A A . 30 ARG HH11 1 1 3 1292 1 1 30 ARG HH12 H -6.425 -2.319 4.663 1.00 . A A . 30 ARG HH12 1 1 3 1293 1 1 30 ARG HH21 H -4.440 0.428 5.515 1.00 . A A . 30 ARG HH21 1 1 3 1294 1 1 30 ARG HH22 H -5.992 -0.321 5.688 1.00 . A A . 30 ARG HH22 1 1 3 1295 1 1 30 ARG N N 1.063 -4.975 2.208 1.00 . A A . 30 ARG N 1 1 3 1296 1 1 30 ARG NE N -3.431 -1.338 4.049 1.00 . A A . 30 ARG NE 1 1 3 1297 1 1 30 ARG NH1 N -5.500 -2.329 4.284 1.00 . A A . 30 ARG NH1 1 1 3 1298 1 1 30 ARG NH2 N -5.065 -0.326 5.313 1.00 . A A . 30 ARG NH2 1 1 3 1299 1 1 30 ARG O O 1.338 -3.071 5.257 1.00 . A A . 30 ARG O 1 1 3 1300 1 1 31 THR C C 3.893 -6.289 5.701 1.00 . A A . 31 THR C 1 1 3 1301 1 1 31 THR CA C 2.671 -5.400 5.924 1.00 . A A . 31 THR CA 1 1 3 1302 1 1 31 THR CB C 1.704 -6.060 6.909 1.00 . A A . 31 THR CB 1 1 3 1303 1 1 31 THR CG2 C 2.376 -6.614 8.149 1.00 . A A . 31 THR CG2 1 1 3 1304 1 1 31 THR H H 1.976 -5.825 3.978 1.00 . A A . 31 THR H 1 1 3 1305 1 1 31 THR HA H 2.994 -4.452 6.326 1.00 . A A . 31 THR HA 1 1 3 1306 1 1 31 THR HB H 1.205 -6.878 6.408 1.00 . A A . 31 THR HB 1 1 3 1307 1 1 31 THR HG1 H 1.140 -4.407 7.796 1.00 . A A . 31 THR HG1 1 1 3 1308 1 1 31 THR HG21 H 2.816 -5.803 8.712 1.00 . A A . 31 THR HG21 1 1 3 1309 1 1 31 THR HG22 H 3.149 -7.310 7.859 1.00 . A A . 31 THR HG22 1 1 3 1310 1 1 31 THR HG23 H 1.645 -7.121 8.760 1.00 . A A . 31 THR HG23 1 1 3 1311 1 1 31 THR N N 1.989 -5.138 4.670 1.00 . A A . 31 THR N 1 1 3 1312 1 1 31 THR O O 5.023 -5.887 5.976 1.00 . A A . 31 THR O 1 1 3 1313 1 1 31 THR OG1 O 0.718 -5.135 7.336 1.00 . A A . 31 THR OG1 1 1 3 1314 2 2 1 ZN ZN ZN 3.856 0.717 -2.384 1.00 . B A . 32 ZN ZN 1 1 4 1315 1 1 1 GLY C C -17.615 1.807 -5.888 1.00 . A A . 1 GLY C 1 1 4 1316 1 1 1 GLY CA C -17.635 1.573 -7.386 1.00 . A A . 1 GLY CA 1 1 4 1317 1 1 1 GLY H1 H -16.972 -0.381 -7.710 1.00 . A A . 1 GLY H1 1 1 4 1318 1 1 1 GLY H2 H -15.747 0.690 -7.248 1.00 . A A . 1 GLY H2 1 1 4 1319 1 1 1 GLY H3 H -16.366 0.742 -8.822 1.00 . A A . 1 GLY H3 1 1 4 1320 1 1 1 GLY HA2 H -17.452 2.512 -7.888 1.00 . A A . 1 GLY HA2 1 1 4 1321 1 1 1 GLY HA3 H -18.611 1.210 -7.670 1.00 . A A . 1 GLY HA3 1 1 4 1322 1 1 1 GLY N N -16.608 0.587 -7.823 1.00 . A A . 1 GLY N 1 1 4 1323 1 1 1 GLY O O -17.533 2.947 -5.431 1.00 . A A . 1 GLY O 1 1 4 1324 1 1 2 SER C C -16.269 0.662 -3.120 1.00 . A A . 2 SER C 1 1 4 1325 1 1 2 SER CA C -17.684 0.815 -3.667 1.00 . A A . 2 SER CA 1 1 4 1326 1 1 2 SER CB C -18.596 -0.254 -3.062 1.00 . A A . 2 SER CB 1 1 4 1327 1 1 2 SER H H -17.757 -0.158 -5.545 1.00 . A A . 2 SER H 1 1 4 1328 1 1 2 SER HA H -18.058 1.791 -3.393 1.00 . A A . 2 SER HA 1 1 4 1329 1 1 2 SER HB2 H -18.578 -1.134 -3.687 1.00 . A A . 2 SER HB2 1 1 4 1330 1 1 2 SER HB3 H -18.243 -0.508 -2.073 1.00 . A A . 2 SER HB3 1 1 4 1331 1 1 2 SER HG H -20.188 0.256 -2.041 1.00 . A A . 2 SER HG 1 1 4 1332 1 1 2 SER N N -17.693 0.724 -5.121 1.00 . A A . 2 SER N 1 1 4 1333 1 1 2 SER O O -15.434 -0.021 -3.714 1.00 . A A . 2 SER O 1 1 4 1334 1 1 2 SER OG O -19.931 0.209 -2.965 1.00 . A A . 2 SER OG 1 1 4 1335 1 1 3 THR C C -14.783 1.541 0.133 1.00 . A A . 3 THR C 1 1 4 1336 1 1 3 THR CA C -14.691 1.233 -1.358 1.00 . A A . 3 THR CA 1 1 4 1337 1 1 3 THR CB C -13.730 2.211 -2.034 1.00 . A A . 3 THR CB 1 1 4 1338 1 1 3 THR CG2 C -12.295 2.050 -1.582 1.00 . A A . 3 THR CG2 1 1 4 1339 1 1 3 THR H H -16.712 1.827 -1.558 1.00 . A A . 3 THR H 1 1 4 1340 1 1 3 THR HA H -14.314 0.228 -1.482 1.00 . A A . 3 THR HA 1 1 4 1341 1 1 3 THR HB H -14.039 3.221 -1.802 1.00 . A A . 3 THR HB 1 1 4 1342 1 1 3 THR HG1 H -14.406 2.649 -3.819 1.00 . A A . 3 THR HG1 1 1 4 1343 1 1 3 THR HG21 H -11.715 2.898 -1.916 1.00 . A A . 3 THR HG21 1 1 4 1344 1 1 3 THR HG22 H -11.884 1.145 -2.002 1.00 . A A . 3 THR HG22 1 1 4 1345 1 1 3 THR HG23 H -12.261 1.995 -0.503 1.00 . A A . 3 THR HG23 1 1 4 1346 1 1 3 THR N N -16.005 1.299 -1.984 1.00 . A A . 3 THR N 1 1 4 1347 1 1 3 THR O O -15.520 2.436 0.548 1.00 . A A . 3 THR O 1 1 4 1348 1 1 3 THR OG1 O -13.758 2.050 -3.441 1.00 . A A . 3 THR OG1 1 1 4 1349 1 1 4 SER C C -13.079 2.116 2.776 1.00 . A A . 4 SER C 1 1 4 1350 1 1 4 SER CA C -14.027 0.988 2.381 1.00 . A A . 4 SER CA 1 1 4 1351 1 1 4 SER CB C -13.625 -0.307 3.089 1.00 . A A . 4 SER CB 1 1 4 1352 1 1 4 SER H H -13.463 0.096 0.545 1.00 . A A . 4 SER H 1 1 4 1353 1 1 4 SER HA H -15.030 1.256 2.680 1.00 . A A . 4 SER HA 1 1 4 1354 1 1 4 SER HB2 H -12.750 -0.720 2.610 1.00 . A A . 4 SER HB2 1 1 4 1355 1 1 4 SER HB3 H -13.401 -0.093 4.124 1.00 . A A . 4 SER HB3 1 1 4 1356 1 1 4 SER HG H -14.343 -2.068 2.625 1.00 . A A . 4 SER HG 1 1 4 1357 1 1 4 SER N N -14.030 0.794 0.935 1.00 . A A . 4 SER N 1 1 4 1358 1 1 4 SER O O -13.513 3.223 3.090 1.00 . A A . 4 SER O 1 1 4 1359 1 1 4 SER OG O -14.668 -1.263 3.036 1.00 . A A . 4 SER OG 1 1 4 1360 1 1 5 ALA C C -9.413 2.449 2.533 1.00 . A A . 5 ALA C 1 1 4 1361 1 1 5 ALA CA C -10.773 2.817 3.115 1.00 . A A . 5 ALA CA 1 1 4 1362 1 1 5 ALA CB C -10.681 2.955 4.626 1.00 . A A . 5 ALA CB 1 1 4 1363 1 1 5 ALA H H -11.496 0.926 2.498 1.00 . A A . 5 ALA H 1 1 4 1364 1 1 5 ALA HA H -11.082 3.768 2.708 1.00 . A A . 5 ALA HA 1 1 4 1365 1 1 5 ALA HB1 H -9.920 3.680 4.875 1.00 . A A . 5 ALA HB1 1 1 4 1366 1 1 5 ALA HB2 H -10.425 2.000 5.060 1.00 . A A . 5 ALA HB2 1 1 4 1367 1 1 5 ALA HB3 H -11.633 3.285 5.016 1.00 . A A . 5 ALA HB3 1 1 4 1368 1 1 5 ALA N N -11.782 1.827 2.757 1.00 . A A . 5 ALA N 1 1 4 1369 1 1 5 ALA O O -8.885 1.369 2.796 1.00 . A A . 5 ALA O 1 1 4 1370 1 1 6 MET C C -6.437 3.235 2.160 1.00 . A A . 6 MET C 1 1 4 1371 1 1 6 MET CA C -7.550 3.131 1.127 1.00 . A A . 6 MET CA 1 1 4 1372 1 1 6 MET CB C -7.317 4.153 0.016 1.00 . A A . 6 MET CB 1 1 4 1373 1 1 6 MET CE C -8.658 6.588 -1.535 1.00 . A A . 6 MET CE 1 1 4 1374 1 1 6 MET CG C -8.127 3.883 -1.243 1.00 . A A . 6 MET CG 1 1 4 1375 1 1 6 MET H H -9.315 4.200 1.572 1.00 . A A . 6 MET H 1 1 4 1376 1 1 6 MET HA H -7.547 2.140 0.701 1.00 . A A . 6 MET HA 1 1 4 1377 1 1 6 MET HB2 H -7.578 5.130 0.387 1.00 . A A . 6 MET HB2 1 1 4 1378 1 1 6 MET HB3 H -6.273 4.150 -0.245 1.00 . A A . 6 MET HB3 1 1 4 1379 1 1 6 MET HE1 H -7.947 6.559 -2.348 1.00 . A A . 6 MET HE1 1 1 4 1380 1 1 6 MET HE2 H -8.136 6.773 -0.607 1.00 . A A . 6 MET HE2 1 1 4 1381 1 1 6 MET HE3 H -9.373 7.379 -1.710 1.00 . A A . 6 MET HE3 1 1 4 1382 1 1 6 MET HG2 H -7.478 3.984 -2.100 1.00 . A A . 6 MET HG2 1 1 4 1383 1 1 6 MET HG3 H -8.509 2.875 -1.198 1.00 . A A . 6 MET HG3 1 1 4 1384 1 1 6 MET N N -8.848 3.357 1.743 1.00 . A A . 6 MET N 1 1 4 1385 1 1 6 MET O O -6.689 3.518 3.332 1.00 . A A . 6 MET O 1 1 4 1386 1 1 6 MET SD S -9.515 5.019 -1.434 1.00 . A A . 6 MET SD 1 1 4 1387 1 1 7 TRP C C -2.875 3.789 1.951 1.00 . A A . 7 TRP C 1 1 4 1388 1 1 7 TRP CA C -4.056 3.099 2.616 1.00 . A A . 7 TRP CA 1 1 4 1389 1 1 7 TRP CB C -3.636 1.714 3.120 1.00 . A A . 7 TRP CB 1 1 4 1390 1 1 7 TRP CD1 C -4.294 -0.033 1.348 1.00 . A A . 7 TRP CD1 1 1 4 1391 1 1 7 TRP CD2 C -2.086 0.299 1.542 1.00 . A A . 7 TRP CD2 1 1 4 1392 1 1 7 TRP CE2 C -2.308 -0.679 0.554 1.00 . A A . 7 TRP CE2 1 1 4 1393 1 1 7 TRP CE3 C -0.769 0.673 1.834 1.00 . A A . 7 TRP CE3 1 1 4 1394 1 1 7 TRP CG C -3.369 0.703 2.039 1.00 . A A . 7 TRP CG 1 1 4 1395 1 1 7 TRP CH2 C 0.013 -0.904 0.166 1.00 . A A . 7 TRP CH2 1 1 4 1396 1 1 7 TRP CZ2 C -1.265 -1.289 -0.139 1.00 . A A . 7 TRP CZ2 1 1 4 1397 1 1 7 TRP CZ3 C 0.266 0.068 1.142 1.00 . A A . 7 TRP CZ3 1 1 4 1398 1 1 7 TRP H H -5.062 2.804 0.774 1.00 . A A . 7 TRP H 1 1 4 1399 1 1 7 TRP HA H -4.358 3.693 3.466 1.00 . A A . 7 TRP HA 1 1 4 1400 1 1 7 TRP HB2 H -2.731 1.816 3.700 1.00 . A A . 7 TRP HB2 1 1 4 1401 1 1 7 TRP HB3 H -4.414 1.326 3.756 1.00 . A A . 7 TRP HB3 1 1 4 1402 1 1 7 TRP HD1 H -5.361 0.041 1.494 1.00 . A A . 7 TRP HD1 1 1 4 1403 1 1 7 TRP HE1 H -4.107 -1.491 -0.163 1.00 . A A . 7 TRP HE1 1 1 4 1404 1 1 7 TRP HE3 H -0.554 1.422 2.582 1.00 . A A . 7 TRP HE3 1 1 4 1405 1 1 7 TRP HH2 H 0.855 -1.348 -0.354 1.00 . A A . 7 TRP HH2 1 1 4 1406 1 1 7 TRP HZ2 H -1.445 -2.046 -0.887 1.00 . A A . 7 TRP HZ2 1 1 4 1407 1 1 7 TRP HZ3 H 1.286 0.344 1.354 1.00 . A A . 7 TRP HZ3 1 1 4 1408 1 1 7 TRP N N -5.203 3.015 1.720 1.00 . A A . 7 TRP N 1 1 4 1409 1 1 7 TRP NE1 N -3.661 -0.866 0.452 1.00 . A A . 7 TRP NE1 1 1 4 1410 1 1 7 TRP O O -2.800 3.887 0.726 1.00 . A A . 7 TRP O 1 1 4 1411 1 1 8 ALA C C 0.472 4.068 2.499 1.00 . A A . 8 ALA C 1 1 4 1412 1 1 8 ALA CA C -0.758 4.943 2.295 1.00 . A A . 8 ALA CA 1 1 4 1413 1 1 8 ALA CB C -0.586 6.279 3.002 1.00 . A A . 8 ALA CB 1 1 4 1414 1 1 8 ALA H H -2.077 4.141 3.744 1.00 . A A . 8 ALA H 1 1 4 1415 1 1 8 ALA HA H -0.886 5.133 1.236 1.00 . A A . 8 ALA HA 1 1 4 1416 1 1 8 ALA HB1 H 0.228 6.825 2.548 1.00 . A A . 8 ALA HB1 1 1 4 1417 1 1 8 ALA HB2 H -0.368 6.108 4.045 1.00 . A A . 8 ALA HB2 1 1 4 1418 1 1 8 ALA HB3 H -1.497 6.853 2.915 1.00 . A A . 8 ALA HB3 1 1 4 1419 1 1 8 ALA N N -1.953 4.261 2.778 1.00 . A A . 8 ALA N 1 1 4 1420 1 1 8 ALA O O 0.833 3.742 3.630 1.00 . A A . 8 ALA O 1 1 4 1421 1 1 9 CYS C C 3.456 3.557 2.107 1.00 . A A . 9 CYS C 1 1 4 1422 1 1 9 CYS CA C 2.286 2.836 1.455 1.00 . A A . 9 CYS CA 1 1 4 1423 1 1 9 CYS CB C 2.673 2.380 0.052 1.00 . A A . 9 CYS CB 1 1 4 1424 1 1 9 CYS H H 0.771 3.973 0.527 1.00 . A A . 9 CYS H 1 1 4 1425 1 1 9 CYS HA H 2.040 1.971 2.047 1.00 . A A . 9 CYS HA 1 1 4 1426 1 1 9 CYS HB2 H 1.780 2.089 -0.485 1.00 . A A . 9 CYS HB2 1 1 4 1427 1 1 9 CYS HB3 H 3.147 3.200 -0.466 1.00 . A A . 9 CYS HB3 1 1 4 1428 1 1 9 CYS N N 1.105 3.684 1.400 1.00 . A A . 9 CYS N 1 1 4 1429 1 1 9 CYS O O 3.469 4.784 2.205 1.00 . A A . 9 CYS O 1 1 4 1430 1 1 9 CYS SG S 3.814 0.975 0.021 1.00 . A A . 9 CYS SG 1 1 4 1431 1 1 10 GLN C C 6.882 2.993 2.386 1.00 . A A . 10 GLN C 1 1 4 1432 1 1 10 GLN CA C 5.626 3.347 3.177 1.00 . A A . 10 GLN CA 1 1 4 1433 1 1 10 GLN CB C 5.754 2.841 4.617 1.00 . A A . 10 GLN CB 1 1 4 1434 1 1 10 GLN CD C 3.916 1.345 5.491 1.00 . A A . 10 GLN CD 1 1 4 1435 1 1 10 GLN CG C 4.429 2.766 5.359 1.00 . A A . 10 GLN CG 1 1 4 1436 1 1 10 GLN H H 4.379 1.814 2.432 1.00 . A A . 10 GLN H 1 1 4 1437 1 1 10 GLN HA H 5.510 4.420 3.188 1.00 . A A . 10 GLN HA 1 1 4 1438 1 1 10 GLN HB2 H 6.190 1.854 4.601 1.00 . A A . 10 GLN HB2 1 1 4 1439 1 1 10 GLN HB3 H 6.409 3.506 5.161 1.00 . A A . 10 GLN HB3 1 1 4 1440 1 1 10 GLN HE21 H 2.926 1.515 3.775 1.00 . A A . 10 GLN HE21 1 1 4 1441 1 1 10 GLN HE22 H 2.784 -0.009 4.575 1.00 . A A . 10 GLN HE22 1 1 4 1442 1 1 10 GLN HG2 H 4.561 3.178 6.349 1.00 . A A . 10 GLN HG2 1 1 4 1443 1 1 10 GLN HG3 H 3.696 3.349 4.821 1.00 . A A . 10 GLN HG3 1 1 4 1444 1 1 10 GLN N N 4.445 2.785 2.543 1.00 . A A . 10 GLN N 1 1 4 1445 1 1 10 GLN NE2 N 3.129 0.906 4.516 1.00 . A A . 10 GLN NE2 1 1 4 1446 1 1 10 GLN O O 7.955 2.803 2.958 1.00 . A A . 10 GLN O 1 1 4 1447 1 1 10 GLN OE1 O 4.224 0.649 6.460 1.00 . A A . 10 GLN OE1 1 1 4 1448 1 1 11 HIS C C 7.821 3.494 -1.034 1.00 . A A . 11 HIS C 1 1 4 1449 1 1 11 HIS CA C 7.863 2.597 0.191 1.00 . A A . 11 HIS CA 1 1 4 1450 1 1 11 HIS CB C 7.816 1.126 -0.229 1.00 . A A . 11 HIS CB 1 1 4 1451 1 1 11 HIS CD2 C 9.476 0.367 -2.068 1.00 . A A . 11 HIS CD2 1 1 4 1452 1 1 11 HIS CE1 C 11.187 -0.098 -0.778 1.00 . A A . 11 HIS CE1 1 1 4 1453 1 1 11 HIS CG C 9.104 0.623 -0.791 1.00 . A A . 11 HIS CG 1 1 4 1454 1 1 11 HIS H H 5.862 3.086 0.663 1.00 . A A . 11 HIS H 1 1 4 1455 1 1 11 HIS HA H 8.778 2.784 0.734 1.00 . A A . 11 HIS HA 1 1 4 1456 1 1 11 HIS HB2 H 7.568 0.521 0.630 1.00 . A A . 11 HIS HB2 1 1 4 1457 1 1 11 HIS HB3 H 7.052 1.000 -0.984 1.00 . A A . 11 HIS HB3 1 1 4 1458 1 1 11 HIS HD1 H 10.240 0.404 0.967 1.00 . A A . 11 HIS HD1 1 1 4 1459 1 1 11 HIS HD2 H 8.869 0.488 -2.950 1.00 . A A . 11 HIS HD2 1 1 4 1460 1 1 11 HIS HE1 H 12.168 -0.405 -0.439 1.00 . A A . 11 HIS HE1 1 1 4 1461 1 1 11 HIS HE2 H 11.334 -0.261 -2.815 1.00 . A A . 11 HIS HE2 1 1 4 1462 1 1 11 HIS N N 6.743 2.916 1.065 1.00 . A A . 11 HIS N 1 1 4 1463 1 1 11 HIS ND1 N 10.195 0.322 -0.009 1.00 . A A . 11 HIS ND1 1 1 4 1464 1 1 11 HIS NE2 N 10.778 -0.081 -2.032 1.00 . A A . 11 HIS NE2 1 1 4 1465 1 1 11 HIS O O 8.748 4.261 -1.292 1.00 . A A . 11 HIS O 1 1 4 1466 1 1 12 CYS C C 5.946 5.579 -2.526 1.00 . A A . 12 CYS C 1 1 4 1467 1 1 12 CYS CA C 6.521 4.232 -2.940 1.00 . A A . 12 CYS CA 1 1 4 1468 1 1 12 CYS CB C 5.575 3.533 -3.910 1.00 . A A . 12 CYS CB 1 1 4 1469 1 1 12 CYS H H 6.007 2.801 -1.499 1.00 . A A . 12 CYS H 1 1 4 1470 1 1 12 CYS HA H 7.478 4.382 -3.416 1.00 . A A . 12 CYS HA 1 1 4 1471 1 1 12 CYS HB2 H 5.297 4.228 -4.666 1.00 . A A . 12 CYS HB2 1 1 4 1472 1 1 12 CYS HB3 H 6.085 2.695 -4.362 1.00 . A A . 12 CYS HB3 1 1 4 1473 1 1 12 CYS N N 6.718 3.413 -1.767 1.00 . A A . 12 CYS N 1 1 4 1474 1 1 12 CYS O O 6.255 6.610 -3.119 1.00 . A A . 12 CYS O 1 1 4 1475 1 1 12 CYS SG S 4.050 2.916 -3.165 1.00 . A A . 12 CYS SG 1 1 4 1476 1 1 13 THR C C 3.236 7.143 -1.722 1.00 . A A . 13 THR C 1 1 4 1477 1 1 13 THR CA C 4.473 6.737 -0.924 1.00 . A A . 13 THR CA 1 1 4 1478 1 1 13 THR CB C 5.476 7.901 -0.810 1.00 . A A . 13 THR CB 1 1 4 1479 1 1 13 THR CG2 C 5.517 8.831 -2.010 1.00 . A A . 13 THR CG2 1 1 4 1480 1 1 13 THR H H 4.930 4.671 -1.068 1.00 . A A . 13 THR H 1 1 4 1481 1 1 13 THR HA H 4.149 6.475 0.073 1.00 . A A . 13 THR HA 1 1 4 1482 1 1 13 THR HB H 6.464 7.487 -0.680 1.00 . A A . 13 THR HB 1 1 4 1483 1 1 13 THR HG1 H 6.002 8.984 0.735 1.00 . A A . 13 THR HG1 1 1 4 1484 1 1 13 THR HG21 H 5.040 9.767 -1.756 1.00 . A A . 13 THR HG21 1 1 4 1485 1 1 13 THR HG22 H 4.996 8.376 -2.840 1.00 . A A . 13 THR HG22 1 1 4 1486 1 1 13 THR HG23 H 6.544 9.015 -2.287 1.00 . A A . 13 THR HG23 1 1 4 1487 1 1 13 THR N N 5.115 5.542 -1.484 1.00 . A A . 13 THR N 1 1 4 1488 1 1 13 THR O O 2.954 8.329 -1.897 1.00 . A A . 13 THR O 1 1 4 1489 1 1 13 THR OG1 O 5.182 8.695 0.326 1.00 . A A . 13 THR OG1 1 1 4 1490 1 1 14 PHE C C 0.080 5.782 -2.239 1.00 . A A . 14 PHE C 1 1 4 1491 1 1 14 PHE CA C 1.279 6.395 -2.944 1.00 . A A . 14 PHE CA 1 1 4 1492 1 1 14 PHE CB C 1.412 5.815 -4.350 1.00 . A A . 14 PHE CB 1 1 4 1493 1 1 14 PHE CD1 C -0.106 7.384 -5.586 1.00 . A A . 14 PHE CD1 1 1 4 1494 1 1 14 PHE CD2 C -0.541 5.044 -5.723 1.00 . A A . 14 PHE CD2 1 1 4 1495 1 1 14 PHE CE1 C -1.191 7.637 -6.404 1.00 . A A . 14 PHE CE1 1 1 4 1496 1 1 14 PHE CE2 C -1.627 5.289 -6.540 1.00 . A A . 14 PHE CE2 1 1 4 1497 1 1 14 PHE CG C 0.231 6.086 -5.237 1.00 . A A . 14 PHE CG 1 1 4 1498 1 1 14 PHE CZ C -1.954 6.588 -6.881 1.00 . A A . 14 PHE CZ 1 1 4 1499 1 1 14 PHE H H 2.755 5.228 -2.003 1.00 . A A . 14 PHE H 1 1 4 1500 1 1 14 PHE HA H 1.137 7.462 -3.015 1.00 . A A . 14 PHE HA 1 1 4 1501 1 1 14 PHE HB2 H 2.280 6.241 -4.819 1.00 . A A . 14 PHE HB2 1 1 4 1502 1 1 14 PHE HB3 H 1.537 4.746 -4.278 1.00 . A A . 14 PHE HB3 1 1 4 1503 1 1 14 PHE HD1 H 0.489 8.205 -5.215 1.00 . A A . 14 PHE HD1 1 1 4 1504 1 1 14 PHE HD2 H -0.287 4.028 -5.456 1.00 . A A . 14 PHE HD2 1 1 4 1505 1 1 14 PHE HE1 H -1.445 8.652 -6.669 1.00 . A A . 14 PHE HE1 1 1 4 1506 1 1 14 PHE HE2 H -2.222 4.467 -6.912 1.00 . A A . 14 PHE HE2 1 1 4 1507 1 1 14 PHE HZ H -2.802 6.782 -7.520 1.00 . A A . 14 PHE HZ 1 1 4 1508 1 1 14 PHE N N 2.491 6.150 -2.185 1.00 . A A . 14 PHE N 1 1 4 1509 1 1 14 PHE O O 0.228 4.961 -1.334 1.00 . A A . 14 PHE O 1 1 4 1510 1 1 15 MET C C -2.722 4.362 -2.758 1.00 . A A . 15 MET C 1 1 4 1511 1 1 15 MET CA C -2.338 5.664 -2.085 1.00 . A A . 15 MET CA 1 1 4 1512 1 1 15 MET CB C -3.469 6.686 -2.216 1.00 . A A . 15 MET CB 1 1 4 1513 1 1 15 MET CE C -5.104 9.317 -0.392 1.00 . A A . 15 MET CE 1 1 4 1514 1 1 15 MET CG C -4.408 6.710 -1.022 1.00 . A A . 15 MET CG 1 1 4 1515 1 1 15 MET H H -1.151 6.829 -3.394 1.00 . A A . 15 MET H 1 1 4 1516 1 1 15 MET HA H -2.156 5.460 -1.038 1.00 . A A . 15 MET HA 1 1 4 1517 1 1 15 MET HB2 H -3.037 7.670 -2.327 1.00 . A A . 15 MET HB2 1 1 4 1518 1 1 15 MET HB3 H -4.048 6.454 -3.098 1.00 . A A . 15 MET HB3 1 1 4 1519 1 1 15 MET HE1 H -5.865 10.081 -0.333 1.00 . A A . 15 MET HE1 1 1 4 1520 1 1 15 MET HE2 H -4.256 9.696 -0.943 1.00 . A A . 15 MET HE2 1 1 4 1521 1 1 15 MET HE3 H -4.792 9.042 0.604 1.00 . A A . 15 MET HE3 1 1 4 1522 1 1 15 MET HG2 H -4.821 5.721 -0.887 1.00 . A A . 15 MET HG2 1 1 4 1523 1 1 15 MET HG3 H -3.845 6.986 -0.143 1.00 . A A . 15 MET HG3 1 1 4 1524 1 1 15 MET N N -1.106 6.180 -2.667 1.00 . A A . 15 MET N 1 1 4 1525 1 1 15 MET O O -2.380 4.122 -3.915 1.00 . A A . 15 MET O 1 1 4 1526 1 1 15 MET SD S -5.766 7.878 -1.230 1.00 . A A . 15 MET SD 1 1 4 1527 1 1 16 ASN C C -5.201 1.834 -2.082 1.00 . A A . 16 ASN C 1 1 4 1528 1 1 16 ASN CA C -3.788 2.212 -2.521 1.00 . A A . 16 ASN CA 1 1 4 1529 1 1 16 ASN CB C -2.786 1.190 -2.015 1.00 . A A . 16 ASN CB 1 1 4 1530 1 1 16 ASN CG C -2.499 0.101 -3.021 1.00 . A A . 16 ASN CG 1 1 4 1531 1 1 16 ASN H H -3.616 3.744 -1.087 1.00 . A A . 16 ASN H 1 1 4 1532 1 1 16 ASN HA H -3.746 2.244 -3.599 1.00 . A A . 16 ASN HA 1 1 4 1533 1 1 16 ASN HB2 H -1.858 1.692 -1.786 1.00 . A A . 16 ASN HB2 1 1 4 1534 1 1 16 ASN HB3 H -3.172 0.748 -1.118 1.00 . A A . 16 ASN HB3 1 1 4 1535 1 1 16 ASN HD21 H -1.301 1.327 -4.027 1.00 . A A . 16 ASN HD21 1 1 4 1536 1 1 16 ASN HD22 H -1.474 -0.262 -4.683 1.00 . A A . 16 ASN HD22 1 1 4 1537 1 1 16 ASN N N -3.399 3.508 -2.012 1.00 . A A . 16 ASN N 1 1 4 1538 1 1 16 ASN ND2 N -1.674 0.419 -4.010 1.00 . A A . 16 ASN ND2 1 1 4 1539 1 1 16 ASN O O -5.669 2.262 -1.030 1.00 . A A . 16 ASN O 1 1 4 1540 1 1 16 ASN OD1 O -3.005 -1.011 -2.912 1.00 . A A . 16 ASN OD1 1 1 4 1541 1 1 17 GLN C C -7.274 -0.284 -1.343 1.00 . A A . 17 GLN C 1 1 4 1542 1 1 17 GLN CA C -7.233 0.591 -2.597 1.00 . A A . 17 GLN CA 1 1 4 1543 1 1 17 GLN CB C -7.813 -0.169 -3.782 1.00 . A A . 17 GLN CB 1 1 4 1544 1 1 17 GLN CD C -9.869 1.196 -4.327 1.00 . A A . 17 GLN CD 1 1 4 1545 1 1 17 GLN CG C -8.509 0.722 -4.799 1.00 . A A . 17 GLN CG 1 1 4 1546 1 1 17 GLN H H -5.445 0.718 -3.723 1.00 . A A . 17 GLN H 1 1 4 1547 1 1 17 GLN HA H -7.828 1.466 -2.430 1.00 . A A . 17 GLN HA 1 1 4 1548 1 1 17 GLN HB2 H -7.010 -0.678 -4.278 1.00 . A A . 17 GLN HB2 1 1 4 1549 1 1 17 GLN HB3 H -8.524 -0.896 -3.421 1.00 . A A . 17 GLN HB3 1 1 4 1550 1 1 17 GLN HE21 H -9.178 3.048 -4.116 1.00 . A A . 17 GLN HE21 1 1 4 1551 1 1 17 GLN HE22 H -10.843 2.818 -3.713 1.00 . A A . 17 GLN HE22 1 1 4 1552 1 1 17 GLN HG2 H -7.890 1.586 -4.984 1.00 . A A . 17 GLN HG2 1 1 4 1553 1 1 17 GLN HG3 H -8.635 0.166 -5.716 1.00 . A A . 17 GLN HG3 1 1 4 1554 1 1 17 GLN N N -5.873 1.027 -2.897 1.00 . A A . 17 GLN N 1 1 4 1555 1 1 17 GLN NE2 N -9.973 2.484 -4.022 1.00 . A A . 17 GLN NE2 1 1 4 1556 1 1 17 GLN O O -6.246 -0.797 -0.900 1.00 . A A . 17 GLN O 1 1 4 1557 1 1 17 GLN OE1 O -10.816 0.414 -4.238 1.00 . A A . 17 GLN OE1 1 1 4 1558 1 1 18 PRO C C -8.533 -2.770 0.203 1.00 . A A . 18 PRO C 1 1 4 1559 1 1 18 PRO CA C -8.646 -1.268 0.464 1.00 . A A . 18 PRO CA 1 1 4 1560 1 1 18 PRO CB C -10.063 -0.916 0.918 1.00 . A A . 18 PRO CB 1 1 4 1561 1 1 18 PRO CD C -9.744 0.126 -1.211 1.00 . A A . 18 PRO CD 1 1 4 1562 1 1 18 PRO CG C -10.773 -0.532 -0.331 1.00 . A A . 18 PRO CG 1 1 4 1563 1 1 18 PRO HA H -7.940 -0.986 1.232 1.00 . A A . 18 PRO HA 1 1 4 1564 1 1 18 PRO HB2 H -10.519 -1.777 1.385 1.00 . A A . 18 PRO HB2 1 1 4 1565 1 1 18 PRO HB3 H -10.027 -0.097 1.619 1.00 . A A . 18 PRO HB3 1 1 4 1566 1 1 18 PRO HD2 H -9.924 -0.117 -2.247 1.00 . A A . 18 PRO HD2 1 1 4 1567 1 1 18 PRO HD3 H -9.752 1.195 -1.065 1.00 . A A . 18 PRO HD3 1 1 4 1568 1 1 18 PRO HG2 H -11.170 -1.413 -0.814 1.00 . A A . 18 PRO HG2 1 1 4 1569 1 1 18 PRO HG3 H -11.569 0.162 -0.103 1.00 . A A . 18 PRO HG3 1 1 4 1570 1 1 18 PRO N N -8.470 -0.459 -0.749 1.00 . A A . 18 PRO N 1 1 4 1571 1 1 18 PRO O O -8.507 -3.567 1.140 1.00 . A A . 18 PRO O 1 1 4 1572 1 1 19 GLY C C -6.992 -4.908 -1.974 1.00 . A A . 19 GLY C 1 1 4 1573 1 1 19 GLY CA C -8.356 -4.558 -1.415 1.00 . A A . 19 GLY CA 1 1 4 1574 1 1 19 GLY H H -8.488 -2.477 -1.779 1.00 . A A . 19 GLY H 1 1 4 1575 1 1 19 GLY HA2 H -8.534 -5.151 -0.529 1.00 . A A . 19 GLY HA2 1 1 4 1576 1 1 19 GLY HA3 H -9.108 -4.797 -2.151 1.00 . A A . 19 GLY HA3 1 1 4 1577 1 1 19 GLY N N -8.467 -3.152 -1.069 1.00 . A A . 19 GLY N 1 1 4 1578 1 1 19 GLY O O -6.641 -6.082 -2.091 1.00 . A A . 19 GLY O 1 1 4 1579 1 1 20 THR C C -3.835 -4.012 -1.779 1.00 . A A . 20 THR C 1 1 4 1580 1 1 20 THR CA C -4.891 -4.068 -2.872 1.00 . A A . 20 THR CA 1 1 4 1581 1 1 20 THR CB C -4.607 -2.991 -3.912 1.00 . A A . 20 THR CB 1 1 4 1582 1 1 20 THR CG2 C -5.125 -3.336 -5.285 1.00 . A A . 20 THR CG2 1 1 4 1583 1 1 20 THR H H -6.562 -2.971 -2.203 1.00 . A A . 20 THR H 1 1 4 1584 1 1 20 THR HA H -4.849 -5.036 -3.348 1.00 . A A . 20 THR HA 1 1 4 1585 1 1 20 THR HB H -3.539 -2.850 -3.986 1.00 . A A . 20 THR HB 1 1 4 1586 1 1 20 THR HG1 H -4.593 -1.043 -3.728 1.00 . A A . 20 THR HG1 1 1 4 1587 1 1 20 THR HG21 H -6.164 -3.053 -5.356 1.00 . A A . 20 THR HG21 1 1 4 1588 1 1 20 THR HG22 H -5.029 -4.398 -5.447 1.00 . A A . 20 THR HG22 1 1 4 1589 1 1 20 THR HG23 H -4.554 -2.802 -6.028 1.00 . A A . 20 THR HG23 1 1 4 1590 1 1 20 THR N N -6.223 -3.882 -2.320 1.00 . A A . 20 THR N 1 1 4 1591 1 1 20 THR O O -2.946 -3.164 -1.812 1.00 . A A . 20 THR O 1 1 4 1592 1 1 20 THR OG1 O -5.197 -1.761 -3.531 1.00 . A A . 20 THR OG1 1 1 4 1593 1 1 21 GLY C C -1.543 -4.803 -0.231 1.00 . A A . 21 GLY C 1 1 4 1594 1 1 21 GLY CA C -2.964 -4.942 0.271 1.00 . A A . 21 GLY CA 1 1 4 1595 1 1 21 GLY H H -4.657 -5.575 -0.835 1.00 . A A . 21 GLY H 1 1 4 1596 1 1 21 GLY HA2 H -3.176 -4.129 0.949 1.00 . A A . 21 GLY HA2 1 1 4 1597 1 1 21 GLY HA3 H -3.054 -5.872 0.802 1.00 . A A . 21 GLY HA3 1 1 4 1598 1 1 21 GLY N N -3.930 -4.918 -0.812 1.00 . A A . 21 GLY N 1 1 4 1599 1 1 21 GLY O O -0.684 -4.247 0.454 1.00 . A A . 21 GLY O 1 1 4 1600 1 1 22 HIS C C 0.292 -3.745 -2.439 1.00 . A A . 22 HIS C 1 1 4 1601 1 1 22 HIS CA C 0.024 -5.194 -2.035 1.00 . A A . 22 HIS CA 1 1 4 1602 1 1 22 HIS CB C 0.149 -6.143 -3.231 1.00 . A A . 22 HIS CB 1 1 4 1603 1 1 22 HIS CD2 C 1.288 -8.466 -3.034 1.00 . A A . 22 HIS CD2 1 1 4 1604 1 1 22 HIS CE1 C -0.312 -9.517 -1.966 1.00 . A A . 22 HIS CE1 1 1 4 1605 1 1 22 HIS CG C 0.278 -7.583 -2.842 1.00 . A A . 22 HIS CG 1 1 4 1606 1 1 22 HIS H H -2.024 -5.707 -1.950 1.00 . A A . 22 HIS H 1 1 4 1607 1 1 22 HIS HA H 0.739 -5.480 -1.278 1.00 . A A . 22 HIS HA 1 1 4 1608 1 1 22 HIS HB2 H -0.729 -6.046 -3.853 1.00 . A A . 22 HIS HB2 1 1 4 1609 1 1 22 HIS HB3 H 1.023 -5.873 -3.806 1.00 . A A . 22 HIS HB3 1 1 4 1610 1 1 22 HIS HD1 H -1.571 -7.906 -1.884 1.00 . A A . 22 HIS HD1 1 1 4 1611 1 1 22 HIS HD2 H 2.227 -8.266 -3.532 1.00 . A A . 22 HIS HD2 1 1 4 1612 1 1 22 HIS HE1 H -0.879 -10.287 -1.463 1.00 . A A . 22 HIS HE1 1 1 4 1613 1 1 22 HIS HE2 H 1.386 -10.505 -2.544 1.00 . A A . 22 HIS HE2 1 1 4 1614 1 1 22 HIS N N -1.297 -5.291 -1.442 1.00 . A A . 22 HIS N 1 1 4 1615 1 1 22 HIS ND1 N -0.709 -8.274 -2.171 1.00 . A A . 22 HIS ND1 1 1 4 1616 1 1 22 HIS NE2 N 0.895 -9.659 -2.480 1.00 . A A . 22 HIS NE2 1 1 4 1617 1 1 22 HIS O O 0.428 -2.887 -1.576 1.00 . A A . 22 HIS O 1 1 4 1618 1 1 23 CYS C C 0.729 -2.046 -5.716 1.00 . A A . 23 CYS C 1 1 4 1619 1 1 23 CYS CA C 0.579 -2.099 -4.202 1.00 . A A . 23 CYS CA 1 1 4 1620 1 1 23 CYS CB C 1.816 -1.497 -3.540 1.00 . A A . 23 CYS CB 1 1 4 1621 1 1 23 CYS H H 0.230 -4.169 -4.392 1.00 . A A . 23 CYS H 1 1 4 1622 1 1 23 CYS HA H -0.282 -1.513 -3.921 1.00 . A A . 23 CYS HA 1 1 4 1623 1 1 23 CYS HB2 H 2.160 -2.154 -2.761 1.00 . A A . 23 CYS HB2 1 1 4 1624 1 1 23 CYS HB3 H 2.591 -1.395 -4.273 1.00 . A A . 23 CYS HB3 1 1 4 1625 1 1 23 CYS N N 0.351 -3.461 -3.737 1.00 . A A . 23 CYS N 1 1 4 1626 1 1 23 CYS O O 1.124 -3.024 -6.350 1.00 . A A . 23 CYS O 1 1 4 1627 1 1 23 CYS SG S 1.532 0.132 -2.810 1.00 . A A . 23 CYS SG 1 1 4 1628 1 1 24 GLU C C 1.732 0.215 -8.029 1.00 . A A . 24 GLU C 1 1 4 1629 1 1 24 GLU CA C 0.538 -0.680 -7.718 1.00 . A A . 24 GLU CA 1 1 4 1630 1 1 24 GLU CB C -0.746 -0.059 -8.271 1.00 . A A . 24 GLU CB 1 1 4 1631 1 1 24 GLU CD C -1.297 -0.925 -10.579 1.00 . A A . 24 GLU CD 1 1 4 1632 1 1 24 GLU CG C -1.584 -1.025 -9.093 1.00 . A A . 24 GLU CG 1 1 4 1633 1 1 24 GLU H H 0.130 -0.141 -5.718 1.00 . A A . 24 GLU H 1 1 4 1634 1 1 24 GLU HA H 0.694 -1.643 -8.181 1.00 . A A . 24 GLU HA 1 1 4 1635 1 1 24 GLU HB2 H -1.348 0.290 -7.445 1.00 . A A . 24 GLU HB2 1 1 4 1636 1 1 24 GLU HB3 H -0.488 0.782 -8.897 1.00 . A A . 24 GLU HB3 1 1 4 1637 1 1 24 GLU HG2 H -1.370 -2.032 -8.769 1.00 . A A . 24 GLU HG2 1 1 4 1638 1 1 24 GLU HG3 H -2.629 -0.807 -8.928 1.00 . A A . 24 GLU HG3 1 1 4 1639 1 1 24 GLU N N 0.427 -0.885 -6.283 1.00 . A A . 24 GLU N 1 1 4 1640 1 1 24 GLU O O 1.777 0.873 -9.070 1.00 . A A . 24 GLU O 1 1 4 1641 1 1 24 GLU OE1 O -0.178 -1.293 -10.994 1.00 . A A . 24 GLU OE1 1 1 4 1642 1 1 24 GLU OE2 O -2.192 -0.480 -11.328 1.00 . A A . 24 GLU OE2 1 1 4 1643 1 1 25 MET C C 5.135 0.209 -6.980 1.00 . A A . 25 MET C 1 1 4 1644 1 1 25 MET CA C 3.898 1.041 -7.286 1.00 . A A . 25 MET CA 1 1 4 1645 1 1 25 MET CB C 3.848 2.268 -6.377 1.00 . A A . 25 MET CB 1 1 4 1646 1 1 25 MET CE C 4.432 4.219 -9.496 1.00 . A A . 25 MET CE 1 1 4 1647 1 1 25 MET CG C 3.319 3.515 -7.067 1.00 . A A . 25 MET CG 1 1 4 1648 1 1 25 MET H H 2.614 -0.316 -6.308 1.00 . A A . 25 MET H 1 1 4 1649 1 1 25 MET HA H 3.940 1.364 -8.317 1.00 . A A . 25 MET HA 1 1 4 1650 1 1 25 MET HB2 H 3.210 2.051 -5.534 1.00 . A A . 25 MET HB2 1 1 4 1651 1 1 25 MET HB3 H 4.845 2.477 -6.018 1.00 . A A . 25 MET HB3 1 1 4 1652 1 1 25 MET HE1 H 3.768 4.955 -9.925 1.00 . A A . 25 MET HE1 1 1 4 1653 1 1 25 MET HE2 H 4.017 3.234 -9.644 1.00 . A A . 25 MET HE2 1 1 4 1654 1 1 25 MET HE3 H 5.394 4.275 -9.983 1.00 . A A . 25 MET HE3 1 1 4 1655 1 1 25 MET HG2 H 2.661 3.214 -7.869 1.00 . A A . 25 MET HG2 1 1 4 1656 1 1 25 MET HG3 H 2.763 4.099 -6.347 1.00 . A A . 25 MET HG3 1 1 4 1657 1 1 25 MET N N 2.703 0.233 -7.116 1.00 . A A . 25 MET N 1 1 4 1658 1 1 25 MET O O 5.993 0.019 -7.842 1.00 . A A . 25 MET O 1 1 4 1659 1 1 25 MET SD S 4.633 4.541 -7.753 1.00 . A A . 25 MET SD 1 1 4 1660 1 1 26 CYS C C 6.132 -2.571 -5.758 1.00 . A A . 26 CYS C 1 1 4 1661 1 1 26 CYS CA C 6.348 -1.112 -5.358 1.00 . A A . 26 CYS CA 1 1 4 1662 1 1 26 CYS CB C 6.573 -1.012 -3.852 1.00 . A A . 26 CYS CB 1 1 4 1663 1 1 26 CYS H H 4.507 -0.122 -5.099 1.00 . A A . 26 CYS H 1 1 4 1664 1 1 26 CYS HA H 7.222 -0.737 -5.868 1.00 . A A . 26 CYS HA 1 1 4 1665 1 1 26 CYS HB2 H 7.209 -1.815 -3.555 1.00 . A A . 26 CYS HB2 1 1 4 1666 1 1 26 CYS HB3 H 7.055 -0.073 -3.627 1.00 . A A . 26 CYS HB3 1 1 4 1667 1 1 26 CYS N N 5.220 -0.296 -5.752 1.00 . A A . 26 CYS N 1 1 4 1668 1 1 26 CYS O O 7.013 -3.190 -6.356 1.00 . A A . 26 CYS O 1 1 4 1669 1 1 26 CYS SG S 5.076 -1.121 -2.847 1.00 . A A . 26 CYS SG 1 1 4 1670 1 1 27 SER C C 4.904 -5.350 -4.467 1.00 . A A . 27 SER C 1 1 4 1671 1 1 27 SER CA C 4.608 -4.506 -5.690 1.00 . A A . 27 SER CA 1 1 4 1672 1 1 27 SER CB C 5.362 -5.050 -6.903 1.00 . A A . 27 SER CB 1 1 4 1673 1 1 27 SER H H 4.322 -2.564 -4.902 1.00 . A A . 27 SER H 1 1 4 1674 1 1 27 SER HA H 3.550 -4.542 -5.888 1.00 . A A . 27 SER HA 1 1 4 1675 1 1 27 SER HB2 H 5.391 -4.293 -7.671 1.00 . A A . 27 SER HB2 1 1 4 1676 1 1 27 SER HB3 H 6.368 -5.308 -6.609 1.00 . A A . 27 SER HB3 1 1 4 1677 1 1 27 SER HG H 3.790 -6.028 -7.547 1.00 . A A . 27 SER HG 1 1 4 1678 1 1 27 SER N N 4.963 -3.113 -5.401 1.00 . A A . 27 SER N 1 1 4 1679 1 1 27 SER O O 5.339 -6.498 -4.563 1.00 . A A . 27 SER O 1 1 4 1680 1 1 27 SER OG O 4.727 -6.205 -7.425 1.00 . A A . 27 SER OG 1 1 4 1681 1 1 28 LEU C C 3.639 -5.428 -1.222 1.00 . A A . 28 LEU C 1 1 4 1682 1 1 28 LEU CA C 4.923 -5.369 -2.040 1.00 . A A . 28 LEU CA 1 1 4 1683 1 1 28 LEU CB C 5.977 -4.557 -1.305 1.00 . A A . 28 LEU CB 1 1 4 1684 1 1 28 LEU CD1 C 8.387 -4.078 -0.811 1.00 . A A . 28 LEU CD1 1 1 4 1685 1 1 28 LEU CD2 C 7.576 -6.442 -0.851 1.00 . A A . 28 LEU CD2 1 1 4 1686 1 1 28 LEU CG C 7.414 -5.056 -1.454 1.00 . A A . 28 LEU CG 1 1 4 1687 1 1 28 LEU H H 4.350 -3.824 -3.320 1.00 . A A . 28 LEU H 1 1 4 1688 1 1 28 LEU HA H 5.290 -6.368 -2.206 1.00 . A A . 28 LEU HA 1 1 4 1689 1 1 28 LEU HB2 H 5.934 -3.550 -1.680 1.00 . A A . 28 LEU HB2 1 1 4 1690 1 1 28 LEU HB3 H 5.722 -4.535 -0.272 1.00 . A A . 28 LEU HB3 1 1 4 1691 1 1 28 LEU HD11 H 7.975 -3.733 0.129 1.00 . A A . 28 LEU HD11 1 1 4 1692 1 1 28 LEU HD12 H 8.535 -3.234 -1.468 1.00 . A A . 28 LEU HD12 1 1 4 1693 1 1 28 LEU HD13 H 9.324 -4.569 -0.640 1.00 . A A . 28 LEU HD13 1 1 4 1694 1 1 28 LEU HD21 H 8.517 -6.863 -1.168 1.00 . A A . 28 LEU HD21 1 1 4 1695 1 1 28 LEU HD22 H 6.770 -7.078 -1.183 1.00 . A A . 28 LEU HD22 1 1 4 1696 1 1 28 LEU HD23 H 7.557 -6.372 0.226 1.00 . A A . 28 LEU HD23 1 1 4 1697 1 1 28 LEU HG H 7.652 -5.118 -2.506 1.00 . A A . 28 LEU HG 1 1 4 1698 1 1 28 LEU N N 4.679 -4.742 -3.313 1.00 . A A . 28 LEU N 1 1 4 1699 1 1 28 LEU O O 2.638 -4.825 -1.593 1.00 . A A . 28 LEU O 1 1 4 1700 1 1 29 PRO C C 2.287 -5.070 1.674 1.00 . A A . 29 PRO C 1 1 4 1701 1 1 29 PRO CA C 2.496 -6.289 0.783 1.00 . A A . 29 PRO CA 1 1 4 1702 1 1 29 PRO CB C 2.849 -7.514 1.623 1.00 . A A . 29 PRO CB 1 1 4 1703 1 1 29 PRO CD C 4.827 -6.886 0.413 1.00 . A A . 29 PRO CD 1 1 4 1704 1 1 29 PRO CG C 4.338 -7.504 1.699 1.00 . A A . 29 PRO CG 1 1 4 1705 1 1 29 PRO HA H 1.595 -6.483 0.219 1.00 . A A . 29 PRO HA 1 1 4 1706 1 1 29 PRO HB2 H 2.402 -7.422 2.603 1.00 . A A . 29 PRO HB2 1 1 4 1707 1 1 29 PRO HB3 H 2.484 -8.406 1.136 1.00 . A A . 29 PRO HB3 1 1 4 1708 1 1 29 PRO HD2 H 5.645 -6.209 0.605 1.00 . A A . 29 PRO HD2 1 1 4 1709 1 1 29 PRO HD3 H 5.131 -7.651 -0.286 1.00 . A A . 29 PRO HD3 1 1 4 1710 1 1 29 PRO HG2 H 4.658 -6.911 2.543 1.00 . A A . 29 PRO HG2 1 1 4 1711 1 1 29 PRO HG3 H 4.706 -8.516 1.790 1.00 . A A . 29 PRO HG3 1 1 4 1712 1 1 29 PRO N N 3.660 -6.150 -0.094 1.00 . A A . 29 PRO N 1 1 4 1713 1 1 29 PRO O O 3.199 -4.267 1.869 1.00 . A A . 29 PRO O 1 1 4 1714 1 1 30 ARG C C 1.451 -3.951 4.438 1.00 . A A . 30 ARG C 1 1 4 1715 1 1 30 ARG CA C 0.748 -3.824 3.096 1.00 . A A . 30 ARG CA 1 1 4 1716 1 1 30 ARG CB C -0.764 -3.748 3.301 1.00 . A A . 30 ARG CB 1 1 4 1717 1 1 30 ARG CD C -2.843 -2.334 3.256 1.00 . A A . 30 ARG CD 1 1 4 1718 1 1 30 ARG CG C -1.323 -2.338 3.204 1.00 . A A . 30 ARG CG 1 1 4 1719 1 1 30 ARG CZ C -4.608 -3.673 4.338 1.00 . A A . 30 ARG CZ 1 1 4 1720 1 1 30 ARG H H 0.396 -5.617 2.034 1.00 . A A . 30 ARG H 1 1 4 1721 1 1 30 ARG HA H 1.087 -2.924 2.623 1.00 . A A . 30 ARG HA 1 1 4 1722 1 1 30 ARG HB2 H -1.244 -4.356 2.554 1.00 . A A . 30 ARG HB2 1 1 4 1723 1 1 30 ARG HB3 H -1.005 -4.140 4.275 1.00 . A A . 30 ARG HB3 1 1 4 1724 1 1 30 ARG HD2 H -3.181 -1.328 3.452 1.00 . A A . 30 ARG HD2 1 1 4 1725 1 1 30 ARG HD3 H -3.224 -2.663 2.301 1.00 . A A . 30 ARG HD3 1 1 4 1726 1 1 30 ARG HE H -2.740 -3.485 5.013 1.00 . A A . 30 ARG HE 1 1 4 1727 1 1 30 ARG HG2 H -0.943 -1.753 4.028 1.00 . A A . 30 ARG HG2 1 1 4 1728 1 1 30 ARG HG3 H -1.003 -1.898 2.271 1.00 . A A . 30 ARG HG3 1 1 4 1729 1 1 30 ARG HH11 H -5.189 -2.729 2.646 1.00 . A A . 30 ARG HH11 1 1 4 1730 1 1 30 ARG HH12 H -6.412 -3.677 3.424 1.00 . A A . 30 ARG HH12 1 1 4 1731 1 1 30 ARG HH21 H -4.346 -4.731 6.039 1.00 . A A . 30 ARG HH21 1 1 4 1732 1 1 30 ARG HH22 H -5.934 -4.813 5.351 1.00 . A A . 30 ARG HH22 1 1 4 1733 1 1 30 ARG N N 1.079 -4.940 2.219 1.00 . A A . 30 ARG N 1 1 4 1734 1 1 30 ARG NE N -3.358 -3.218 4.301 1.00 . A A . 30 ARG NE 1 1 4 1735 1 1 30 ARG NH1 N -5.474 -3.331 3.391 1.00 . A A . 30 ARG NH1 1 1 4 1736 1 1 30 ARG NH2 N -4.994 -4.472 5.323 1.00 . A A . 30 ARG NH2 1 1 4 1737 1 1 30 ARG O O 1.436 -3.028 5.252 1.00 . A A . 30 ARG O 1 1 4 1738 1 1 31 THR C C 3.978 -6.261 5.654 1.00 . A A . 31 THR C 1 1 4 1739 1 1 31 THR CA C 2.767 -5.363 5.900 1.00 . A A . 31 THR CA 1 1 4 1740 1 1 31 THR CB C 1.816 -6.012 6.908 1.00 . A A . 31 THR CB 1 1 4 1741 1 1 31 THR CG2 C 2.513 -6.567 8.134 1.00 . A A . 31 THR CG2 1 1 4 1742 1 1 31 THR H H 2.027 -5.790 3.970 1.00 . A A . 31 THR H 1 1 4 1743 1 1 31 THR HA H 3.105 -4.416 6.291 1.00 . A A . 31 THR HA 1 1 4 1744 1 1 31 THR HB H 1.300 -6.829 6.420 1.00 . A A . 31 THR HB 1 1 4 1745 1 1 31 THR HG1 H -0.031 -5.438 7.213 1.00 . A A . 31 THR HG1 1 1 4 1746 1 1 31 THR HG21 H 1.789 -7.059 8.767 1.00 . A A . 31 THR HG21 1 1 4 1747 1 1 31 THR HG22 H 2.979 -5.760 8.680 1.00 . A A . 31 THR HG22 1 1 4 1748 1 1 31 THR HG23 H 3.266 -7.279 7.829 1.00 . A A . 31 THR HG23 1 1 4 1749 1 1 31 THR N N 2.060 -5.100 4.659 1.00 . A A . 31 THR N 1 1 4 1750 1 1 31 THR O O 3.895 -7.244 4.918 1.00 . A A . 31 THR O 1 1 4 1751 1 1 31 THR OG1 O 0.848 -5.079 7.353 1.00 . A A . 31 THR OG1 1 1 4 1752 2 2 1 ZN ZN ZN 3.816 0.745 -2.391 1.00 . B A . 32 ZN ZN 1 1 5 1753 1 1 1 GLY C C -17.823 -1.494 -4.421 1.00 . A A . 1 GLY C 1 1 5 1754 1 1 1 GLY CA C -17.820 -2.726 -5.305 1.00 . A A . 1 GLY CA 1 1 5 1755 1 1 1 GLY H1 H -15.763 -2.690 -5.667 1.00 . A A . 1 GLY H1 1 1 5 1756 1 1 1 GLY H2 H -16.685 -1.981 -6.895 1.00 . A A . 1 GLY H2 1 1 5 1757 1 1 1 GLY H3 H -16.631 -3.665 -6.743 1.00 . A A . 1 GLY H3 1 1 5 1758 1 1 1 GLY HA2 H -18.721 -2.731 -5.900 1.00 . A A . 1 GLY HA2 1 1 5 1759 1 1 1 GLY HA3 H -17.808 -3.604 -4.679 1.00 . A A . 1 GLY HA3 1 1 5 1760 1 1 1 GLY N N -16.642 -2.769 -6.216 1.00 . A A . 1 GLY N 1 1 5 1761 1 1 1 GLY O O -17.706 -0.370 -4.911 1.00 . A A . 1 GLY O 1 1 5 1762 1 1 2 SER C C -16.623 -0.451 -1.479 1.00 . A A . 2 SER C 1 1 5 1763 1 1 2 SER CA C -17.979 -0.603 -2.162 1.00 . A A . 2 SER CA 1 1 5 1764 1 1 2 SER CB C -19.069 -0.828 -1.113 1.00 . A A . 2 SER CB 1 1 5 1765 1 1 2 SER H H -18.049 -2.624 -2.788 1.00 . A A . 2 SER H 1 1 5 1766 1 1 2 SER HA H -18.198 0.303 -2.706 1.00 . A A . 2 SER HA 1 1 5 1767 1 1 2 SER HB2 H -19.985 -1.117 -1.606 1.00 . A A . 2 SER HB2 1 1 5 1768 1 1 2 SER HB3 H -18.760 -1.613 -0.438 1.00 . A A . 2 SER HB3 1 1 5 1769 1 1 2 SER HG H -19.721 1.010 -0.925 1.00 . A A . 2 SER HG 1 1 5 1770 1 1 2 SER N N -17.959 -1.705 -3.116 1.00 . A A . 2 SER N 1 1 5 1771 1 1 2 SER O O -16.241 -1.275 -0.647 1.00 . A A . 2 SER O 1 1 5 1772 1 1 2 SER OG O -19.308 0.350 -0.363 1.00 . A A . 2 SER OG 1 1 5 1773 1 1 3 THR C C -14.713 1.278 0.209 1.00 . A A . 3 THR C 1 1 5 1774 1 1 3 THR CA C -14.589 0.868 -1.255 1.00 . A A . 3 THR CA 1 1 5 1775 1 1 3 THR CB C -13.869 1.961 -2.044 1.00 . A A . 3 THR CB 1 1 5 1776 1 1 3 THR CG2 C -12.402 2.085 -1.692 1.00 . A A . 3 THR CG2 1 1 5 1777 1 1 3 THR H H -16.262 1.228 -2.501 1.00 . A A . 3 THR H 1 1 5 1778 1 1 3 THR HA H -14.016 -0.045 -1.313 1.00 . A A . 3 THR HA 1 1 5 1779 1 1 3 THR HB H -14.341 2.911 -1.837 1.00 . A A . 3 THR HB 1 1 5 1780 1 1 3 THR HG1 H -14.052 2.549 -3.904 1.00 . A A . 3 THR HG1 1 1 5 1781 1 1 3 THR HG21 H -12.012 3.007 -2.099 1.00 . A A . 3 THR HG21 1 1 5 1782 1 1 3 THR HG22 H -11.861 1.249 -2.107 1.00 . A A . 3 THR HG22 1 1 5 1783 1 1 3 THR HG23 H -12.290 2.091 -0.618 1.00 . A A . 3 THR HG23 1 1 5 1784 1 1 3 THR N N -15.903 0.607 -1.834 1.00 . A A . 3 THR N 1 1 5 1785 1 1 3 THR O O -15.455 2.201 0.546 1.00 . A A . 3 THR O 1 1 5 1786 1 1 3 THR OG1 O -13.957 1.716 -3.437 1.00 . A A . 3 THR OG1 1 1 5 1787 1 1 4 SER C C -13.078 2.042 2.838 1.00 . A A . 4 SER C 1 1 5 1788 1 1 4 SER CA C -14.006 0.879 2.504 1.00 . A A . 4 SER CA 1 1 5 1789 1 1 4 SER CB C -13.602 -0.359 3.308 1.00 . A A . 4 SER CB 1 1 5 1790 1 1 4 SER H H -13.407 -0.138 0.747 1.00 . A A . 4 SER H 1 1 5 1791 1 1 4 SER HA H -15.017 1.154 2.767 1.00 . A A . 4 SER HA 1 1 5 1792 1 1 4 SER HB2 H -12.917 -0.956 2.724 1.00 . A A . 4 SER HB2 1 1 5 1793 1 1 4 SER HB3 H -13.119 -0.049 4.223 1.00 . A A . 4 SER HB3 1 1 5 1794 1 1 4 SER HG H -14.958 -1.021 4.556 1.00 . A A . 4 SER HG 1 1 5 1795 1 1 4 SER N N -13.980 0.586 1.076 1.00 . A A . 4 SER N 1 1 5 1796 1 1 4 SER O O -13.532 3.155 3.103 1.00 . A A . 4 SER O 1 1 5 1797 1 1 4 SER OG O -14.733 -1.148 3.632 1.00 . A A . 4 SER OG 1 1 5 1798 1 1 5 ALA C C -9.421 2.432 2.549 1.00 . A A . 5 ALA C 1 1 5 1799 1 1 5 ALA CA C -10.783 2.801 3.126 1.00 . A A . 5 ALA CA 1 1 5 1800 1 1 5 ALA CB C -10.683 3.010 4.630 1.00 . A A . 5 ALA CB 1 1 5 1801 1 1 5 ALA H H -11.475 0.869 2.606 1.00 . A A . 5 ALA H 1 1 5 1802 1 1 5 ALA HA H -11.114 3.726 2.679 1.00 . A A . 5 ALA HA 1 1 5 1803 1 1 5 ALA HB1 H -10.308 2.111 5.094 1.00 . A A . 5 ALA HB1 1 1 5 1804 1 1 5 ALA HB2 H -11.660 3.241 5.027 1.00 . A A . 5 ALA HB2 1 1 5 1805 1 1 5 ALA HB3 H -10.009 3.829 4.835 1.00 . A A . 5 ALA HB3 1 1 5 1806 1 1 5 ALA N N -11.775 1.776 2.825 1.00 . A A . 5 ALA N 1 1 5 1807 1 1 5 ALA O O -8.893 1.354 2.816 1.00 . A A . 5 ALA O 1 1 5 1808 1 1 6 MET C C -6.442 3.223 2.175 1.00 . A A . 6 MET C 1 1 5 1809 1 1 6 MET CA C -7.556 3.111 1.142 1.00 . A A . 6 MET CA 1 1 5 1810 1 1 6 MET CB C -7.324 4.127 0.025 1.00 . A A . 6 MET CB 1 1 5 1811 1 1 6 MET CE C -10.436 5.322 -1.359 1.00 . A A . 6 MET CE 1 1 5 1812 1 1 6 MET CG C -8.104 3.829 -1.244 1.00 . A A . 6 MET CG 1 1 5 1813 1 1 6 MET H H -9.324 4.180 1.581 1.00 . A A . 6 MET H 1 1 5 1814 1 1 6 MET HA H -7.551 2.117 0.723 1.00 . A A . 6 MET HA 1 1 5 1815 1 1 6 MET HB2 H -7.612 5.101 0.380 1.00 . A A . 6 MET HB2 1 1 5 1816 1 1 6 MET HB3 H -6.275 4.143 -0.217 1.00 . A A . 6 MET HB3 1 1 5 1817 1 1 6 MET HE1 H -11.124 5.649 -2.124 1.00 . A A . 6 MET HE1 1 1 5 1818 1 1 6 MET HE2 H -10.487 5.996 -0.517 1.00 . A A . 6 MET HE2 1 1 5 1819 1 1 6 MET HE3 H -10.700 4.325 -1.039 1.00 . A A . 6 MET HE3 1 1 5 1820 1 1 6 MET HG2 H -7.448 3.339 -1.948 1.00 . A A . 6 MET HG2 1 1 5 1821 1 1 6 MET HG3 H -8.923 3.168 -1.000 1.00 . A A . 6 MET HG3 1 1 5 1822 1 1 6 MET N N -8.855 3.337 1.757 1.00 . A A . 6 MET N 1 1 5 1823 1 1 6 MET O O -6.696 3.499 3.348 1.00 . A A . 6 MET O 1 1 5 1824 1 1 6 MET SD S -8.770 5.315 -2.017 1.00 . A A . 6 MET SD 1 1 5 1825 1 1 7 TRP C C -2.881 3.801 1.955 1.00 . A A . 7 TRP C 1 1 5 1826 1 1 7 TRP CA C -4.058 3.110 2.627 1.00 . A A . 7 TRP CA 1 1 5 1827 1 1 7 TRP CB C -3.633 1.728 3.134 1.00 . A A . 7 TRP CB 1 1 5 1828 1 1 7 TRP CD1 C -4.294 -0.023 1.370 1.00 . A A . 7 TRP CD1 1 1 5 1829 1 1 7 TRP CD2 C -2.086 0.317 1.548 1.00 . A A . 7 TRP CD2 1 1 5 1830 1 1 7 TRP CE2 C -2.311 -0.664 0.563 1.00 . A A . 7 TRP CE2 1 1 5 1831 1 1 7 TRP CE3 C -0.769 0.695 1.831 1.00 . A A . 7 TRP CE3 1 1 5 1832 1 1 7 TRP CG C -3.368 0.716 2.053 1.00 . A A . 7 TRP CG 1 1 5 1833 1 1 7 TRP CH2 C 0.007 -0.882 0.161 1.00 . A A . 7 TRP CH2 1 1 5 1834 1 1 7 TRP CZ2 C -1.271 -1.272 -0.135 1.00 . A A . 7 TRP CZ2 1 1 5 1835 1 1 7 TRP CZ3 C 0.263 0.092 1.133 1.00 . A A . 7 TRP CZ3 1 1 5 1836 1 1 7 TRP H H -5.066 2.812 0.785 1.00 . A A . 7 TRP H 1 1 5 1837 1 1 7 TRP HA H -4.361 3.706 3.475 1.00 . A A . 7 TRP HA 1 1 5 1838 1 1 7 TRP HB2 H -2.726 1.835 3.709 1.00 . A A . 7 TRP HB2 1 1 5 1839 1 1 7 TRP HB3 H -4.408 1.340 3.773 1.00 . A A . 7 TRP HB3 1 1 5 1840 1 1 7 TRP HD1 H -5.360 0.046 1.523 1.00 . A A . 7 TRP HD1 1 1 5 1841 1 1 7 TRP HE1 H -4.112 -1.483 -0.140 1.00 . A A . 7 TRP HE1 1 1 5 1842 1 1 7 TRP HE3 H -0.552 1.445 2.577 1.00 . A A . 7 TRP HE3 1 1 5 1843 1 1 7 TRP HH2 H 0.847 -1.324 -0.364 1.00 . A A . 7 TRP HH2 1 1 5 1844 1 1 7 TRP HZ2 H -1.453 -2.030 -0.881 1.00 . A A . 7 TRP HZ2 1 1 5 1845 1 1 7 TRP HZ3 H 1.285 0.371 1.338 1.00 . A A . 7 TRP HZ3 1 1 5 1846 1 1 7 TRP N N -5.207 3.018 1.732 1.00 . A A . 7 TRP N 1 1 5 1847 1 1 7 TRP NE1 N -3.664 -0.856 0.472 1.00 . A A . 7 TRP NE1 1 1 5 1848 1 1 7 TRP O O -2.815 3.901 0.730 1.00 . A A . 7 TRP O 1 1 5 1849 1 1 8 ALA C C 0.471 4.074 2.487 1.00 . A A . 8 ALA C 1 1 5 1850 1 1 8 ALA CA C -0.759 4.949 2.285 1.00 . A A . 8 ALA CA 1 1 5 1851 1 1 8 ALA CB C -0.583 6.287 2.989 1.00 . A A . 8 ALA CB 1 1 5 1852 1 1 8 ALA H H -2.068 4.146 3.743 1.00 . A A . 8 ALA H 1 1 5 1853 1 1 8 ALA HA H -0.892 5.136 1.228 1.00 . A A . 8 ALA HA 1 1 5 1854 1 1 8 ALA HB1 H -1.472 6.887 2.850 1.00 . A A . 8 ALA HB1 1 1 5 1855 1 1 8 ALA HB2 H 0.268 6.804 2.572 1.00 . A A . 8 ALA HB2 1 1 5 1856 1 1 8 ALA HB3 H -0.423 6.120 4.044 1.00 . A A . 8 ALA HB3 1 1 5 1857 1 1 8 ALA N N -1.951 4.269 2.777 1.00 . A A . 8 ALA N 1 1 5 1858 1 1 8 ALA O O 0.836 3.750 3.617 1.00 . A A . 8 ALA O 1 1 5 1859 1 1 9 CYS C C 3.452 3.557 2.088 1.00 . A A . 9 CYS C 1 1 5 1860 1 1 9 CYS CA C 2.280 2.839 1.439 1.00 . A A . 9 CYS CA 1 1 5 1861 1 1 9 CYS CB C 2.665 2.383 0.036 1.00 . A A . 9 CYS CB 1 1 5 1862 1 1 9 CYS H H 0.762 3.974 0.516 1.00 . A A . 9 CYS H 1 1 5 1863 1 1 9 CYS HA H 2.035 1.973 2.032 1.00 . A A . 9 CYS HA 1 1 5 1864 1 1 9 CYS HB2 H 1.776 2.060 -0.491 1.00 . A A . 9 CYS HB2 1 1 5 1865 1 1 9 CYS HB3 H 3.108 3.213 -0.495 1.00 . A A . 9 CYS HB3 1 1 5 1866 1 1 9 CYS N N 1.101 3.686 1.386 1.00 . A A . 9 CYS N 1 1 5 1867 1 1 9 CYS O O 3.480 4.786 2.163 1.00 . A A . 9 CYS O 1 1 5 1868 1 1 9 CYS SG S 3.850 1.014 0.004 1.00 . A A . 9 CYS SG 1 1 5 1869 1 1 10 GLN C C 6.864 2.977 2.393 1.00 . A A . 10 GLN C 1 1 5 1870 1 1 10 GLN CA C 5.608 3.340 3.182 1.00 . A A . 10 GLN CA 1 1 5 1871 1 1 10 GLN CB C 5.730 2.839 4.623 1.00 . A A . 10 GLN CB 1 1 5 1872 1 1 10 GLN CD C 4.509 0.645 4.901 1.00 . A A . 10 GLN CD 1 1 5 1873 1 1 10 GLN CG C 5.852 1.328 4.733 1.00 . A A . 10 GLN CG 1 1 5 1874 1 1 10 GLN H H 4.348 1.809 2.454 1.00 . A A . 10 GLN H 1 1 5 1875 1 1 10 GLN HA H 5.497 4.413 3.189 1.00 . A A . 10 GLN HA 1 1 5 1876 1 1 10 GLN HB2 H 6.605 3.284 5.072 1.00 . A A . 10 GLN HB2 1 1 5 1877 1 1 10 GLN HB3 H 4.855 3.149 5.175 1.00 . A A . 10 GLN HB3 1 1 5 1878 1 1 10 GLN HE21 H 4.673 -0.174 3.096 1.00 . A A . 10 GLN HE21 1 1 5 1879 1 1 10 GLN HE22 H 3.231 -0.556 3.966 1.00 . A A . 10 GLN HE22 1 1 5 1880 1 1 10 GLN HG2 H 6.321 0.951 3.837 1.00 . A A . 10 GLN HG2 1 1 5 1881 1 1 10 GLN HG3 H 6.469 1.092 5.588 1.00 . A A . 10 GLN HG3 1 1 5 1882 1 1 10 GLN N N 4.426 2.781 2.549 1.00 . A A . 10 GLN N 1 1 5 1883 1 1 10 GLN NE2 N 4.096 -0.104 3.885 1.00 . A A . 10 GLN NE2 1 1 5 1884 1 1 10 GLN O O 7.932 2.770 2.969 1.00 . A A . 10 GLN O 1 1 5 1885 1 1 10 GLN OE1 O 3.850 0.790 5.930 1.00 . A A . 10 GLN OE1 1 1 5 1886 1 1 11 HIS C C 7.818 3.494 -1.019 1.00 . A A . 11 HIS C 1 1 5 1887 1 1 11 HIS CA C 7.846 2.585 0.198 1.00 . A A . 11 HIS CA 1 1 5 1888 1 1 11 HIS CB C 7.781 1.119 -0.236 1.00 . A A . 11 HIS CB 1 1 5 1889 1 1 11 HIS CD2 C 9.750 -0.423 0.429 1.00 . A A . 11 HIS CD2 1 1 5 1890 1 1 11 HIS CE1 C 11.088 0.015 -1.254 1.00 . A A . 11 HIS CE1 1 1 5 1891 1 1 11 HIS CG C 9.125 0.472 -0.364 1.00 . A A . 11 HIS CG 1 1 5 1892 1 1 11 HIS H H 5.850 3.095 0.667 1.00 . A A . 11 HIS H 1 1 5 1893 1 1 11 HIS HA H 8.762 2.756 0.746 1.00 . A A . 11 HIS HA 1 1 5 1894 1 1 11 HIS HB2 H 7.212 0.561 0.492 1.00 . A A . 11 HIS HB2 1 1 5 1895 1 1 11 HIS HB3 H 7.288 1.056 -1.196 1.00 . A A . 11 HIS HB3 1 1 5 1896 1 1 11 HIS HD1 H 9.811 1.340 -2.157 1.00 . A A . 11 HIS HD1 1 1 5 1897 1 1 11 HIS HD2 H 9.365 -0.849 1.346 1.00 . A A . 11 HIS HD2 1 1 5 1898 1 1 11 HIS HE1 H 11.938 0.013 -1.920 1.00 . A A . 11 HIS HE1 1 1 5 1899 1 1 11 HIS HE2 H 11.608 -1.368 0.162 1.00 . A A . 11 HIS HE2 1 1 5 1900 1 1 11 HIS N N 6.727 2.911 1.071 1.00 . A A . 11 HIS N 1 1 5 1901 1 1 11 HIS ND1 N 9.980 0.729 -1.411 1.00 . A A . 11 HIS ND1 1 1 5 1902 1 1 11 HIS NE2 N 10.971 -0.691 -0.145 1.00 . A A . 11 HIS NE2 1 1 5 1903 1 1 11 HIS O O 8.752 4.257 -1.265 1.00 . A A . 11 HIS O 1 1 5 1904 1 1 12 CYS C C 5.957 5.603 -2.505 1.00 . A A . 12 CYS C 1 1 5 1905 1 1 12 CYS CA C 6.536 4.259 -2.926 1.00 . A A . 12 CYS CA 1 1 5 1906 1 1 12 CYS CB C 5.603 3.573 -3.915 1.00 . A A . 12 CYS CB 1 1 5 1907 1 1 12 CYS H H 6.002 2.820 -1.502 1.00 . A A . 12 CYS H 1 1 5 1908 1 1 12 CYS HA H 7.499 4.415 -3.388 1.00 . A A . 12 CYS HA 1 1 5 1909 1 1 12 CYS HB2 H 5.328 4.280 -4.660 1.00 . A A . 12 CYS HB2 1 1 5 1910 1 1 12 CYS HB3 H 6.122 2.746 -4.378 1.00 . A A . 12 CYS HB3 1 1 5 1911 1 1 12 CYS N N 6.719 3.429 -1.760 1.00 . A A . 12 CYS N 1 1 5 1912 1 1 12 CYS O O 6.274 6.640 -3.083 1.00 . A A . 12 CYS O 1 1 5 1913 1 1 12 CYS SG S 4.075 2.933 -3.197 1.00 . A A . 12 CYS SG 1 1 5 1914 1 1 13 THR C C 3.230 7.153 -1.712 1.00 . A A . 13 THR C 1 1 5 1915 1 1 13 THR CA C 4.465 6.747 -0.911 1.00 . A A . 13 THR CA 1 1 5 1916 1 1 13 THR CB C 5.463 7.915 -0.788 1.00 . A A . 13 THR CB 1 1 5 1917 1 1 13 THR CG2 C 5.501 8.852 -1.983 1.00 . A A . 13 THR CG2 1 1 5 1918 1 1 13 THR H H 4.922 4.682 -1.068 1.00 . A A . 13 THR H 1 1 5 1919 1 1 13 THR HA H 4.139 6.481 0.083 1.00 . A A . 13 THR HA 1 1 5 1920 1 1 13 THR HB H 6.453 7.504 -0.659 1.00 . A A . 13 THR HB 1 1 5 1921 1 1 13 THR HG1 H 5.979 9.057 0.716 1.00 . A A . 13 THR HG1 1 1 5 1922 1 1 13 THR HG21 H 6.528 9.052 -2.250 1.00 . A A . 13 THR HG21 1 1 5 1923 1 1 13 THR HG22 H 5.009 9.779 -1.728 1.00 . A A . 13 THR HG22 1 1 5 1924 1 1 13 THR HG23 H 4.994 8.395 -2.819 1.00 . A A . 13 THR HG23 1 1 5 1925 1 1 13 THR N N 5.114 5.557 -1.473 1.00 . A A . 13 THR N 1 1 5 1926 1 1 13 THR O O 2.941 8.338 -1.879 1.00 . A A . 13 THR O 1 1 5 1927 1 1 13 THR OG1 O 5.166 8.701 0.351 1.00 . A A . 13 THR OG1 1 1 5 1928 1 1 14 PHE C C 0.083 5.783 -2.250 1.00 . A A . 14 PHE C 1 1 5 1929 1 1 14 PHE CA C 1.283 6.401 -2.950 1.00 . A A . 14 PHE CA 1 1 5 1930 1 1 14 PHE CB C 1.423 5.824 -4.356 1.00 . A A . 14 PHE CB 1 1 5 1931 1 1 14 PHE CD1 C -0.098 7.389 -5.595 1.00 . A A . 14 PHE CD1 1 1 5 1932 1 1 14 PHE CD2 C -0.524 5.046 -5.735 1.00 . A A . 14 PHE CD2 1 1 5 1933 1 1 14 PHE CE1 C -1.181 7.638 -6.416 1.00 . A A . 14 PHE CE1 1 1 5 1934 1 1 14 PHE CE2 C -1.609 5.289 -6.554 1.00 . A A . 14 PHE CE2 1 1 5 1935 1 1 14 PHE CG C 0.243 6.092 -5.246 1.00 . A A . 14 PHE CG 1 1 5 1936 1 1 14 PHE CZ C -1.939 6.587 -6.896 1.00 . A A . 14 PHE CZ 1 1 5 1937 1 1 14 PHE H H 2.761 5.236 -2.010 1.00 . A A . 14 PHE H 1 1 5 1938 1 1 14 PHE HA H 1.138 7.468 -3.019 1.00 . A A . 14 PHE HA 1 1 5 1939 1 1 14 PHE HB2 H 2.291 6.254 -4.822 1.00 . A A . 14 PHE HB2 1 1 5 1940 1 1 14 PHE HB3 H 1.551 4.755 -4.286 1.00 . A A . 14 PHE HB3 1 1 5 1941 1 1 14 PHE HD1 H 0.494 8.211 -5.221 1.00 . A A . 14 PHE HD1 1 1 5 1942 1 1 14 PHE HD2 H -0.268 4.032 -5.468 1.00 . A A . 14 PHE HD2 1 1 5 1943 1 1 14 PHE HE1 H -1.436 8.653 -6.681 1.00 . A A . 14 PHE HE1 1 1 5 1944 1 1 14 PHE HE2 H -2.199 4.466 -6.928 1.00 . A A . 14 PHE HE2 1 1 5 1945 1 1 14 PHE HZ H -2.786 6.779 -7.537 1.00 . A A . 14 PHE HZ 1 1 5 1946 1 1 14 PHE N N 2.493 6.158 -2.187 1.00 . A A . 14 PHE N 1 1 5 1947 1 1 14 PHE O O 0.233 4.963 -1.344 1.00 . A A . 14 PHE O 1 1 5 1948 1 1 15 MET C C -2.711 4.352 -2.777 1.00 . A A . 15 MET C 1 1 5 1949 1 1 15 MET CA C -2.333 5.653 -2.103 1.00 . A A . 15 MET CA 1 1 5 1950 1 1 15 MET CB C -3.467 6.672 -2.235 1.00 . A A . 15 MET CB 1 1 5 1951 1 1 15 MET CE C -5.439 8.525 -0.114 1.00 . A A . 15 MET CE 1 1 5 1952 1 1 15 MET CG C -4.749 6.248 -1.536 1.00 . A A . 15 MET CG 1 1 5 1953 1 1 15 MET H H -1.148 6.825 -3.409 1.00 . A A . 15 MET H 1 1 5 1954 1 1 15 MET HA H -2.154 5.449 -1.055 1.00 . A A . 15 MET HA 1 1 5 1955 1 1 15 MET HB2 H -3.144 7.611 -1.811 1.00 . A A . 15 MET HB2 1 1 5 1956 1 1 15 MET HB3 H -3.685 6.816 -3.283 1.00 . A A . 15 MET HB3 1 1 5 1957 1 1 15 MET HE1 H -6.284 9.035 0.325 1.00 . A A . 15 MET HE1 1 1 5 1958 1 1 15 MET HE2 H -4.712 9.251 -0.445 1.00 . A A . 15 MET HE2 1 1 5 1959 1 1 15 MET HE3 H -4.991 7.873 0.620 1.00 . A A . 15 MET HE3 1 1 5 1960 1 1 15 MET HG2 H -5.158 5.391 -2.050 1.00 . A A . 15 MET HG2 1 1 5 1961 1 1 15 MET HG3 H -4.514 5.977 -0.517 1.00 . A A . 15 MET HG3 1 1 5 1962 1 1 15 MET N N -1.102 6.175 -2.680 1.00 . A A . 15 MET N 1 1 5 1963 1 1 15 MET O O -2.360 4.109 -3.932 1.00 . A A . 15 MET O 1 1 5 1964 1 1 15 MET SD S -5.992 7.554 -1.515 1.00 . A A . 15 MET SD 1 1 5 1965 1 1 16 ASN C C -5.195 1.827 -2.114 1.00 . A A . 16 ASN C 1 1 5 1966 1 1 16 ASN CA C -3.778 2.202 -2.544 1.00 . A A . 16 ASN CA 1 1 5 1967 1 1 16 ASN CB C -2.780 1.181 -2.026 1.00 . A A . 16 ASN CB 1 1 5 1968 1 1 16 ASN CG C -2.476 0.097 -3.033 1.00 . A A . 16 ASN CG 1 1 5 1969 1 1 16 ASN H H -3.617 3.736 -1.112 1.00 . A A . 16 ASN H 1 1 5 1970 1 1 16 ASN HA H -3.728 2.231 -3.621 1.00 . A A . 16 ASN HA 1 1 5 1971 1 1 16 ASN HB2 H -1.857 1.685 -1.783 1.00 . A A . 16 ASN HB2 1 1 5 1972 1 1 16 ASN HB3 H -3.177 0.736 -1.136 1.00 . A A . 16 ASN HB3 1 1 5 1973 1 1 16 ASN HD21 H -1.323 1.350 -4.056 1.00 . A A . 16 ASN HD21 1 1 5 1974 1 1 16 ASN HD22 H -1.461 -0.245 -4.704 1.00 . A A . 16 ASN HD22 1 1 5 1975 1 1 16 ASN N N -3.394 3.499 -2.035 1.00 . A A . 16 ASN N 1 1 5 1976 1 1 16 ASN ND2 N -1.671 0.433 -4.031 1.00 . A A . 16 ASN ND2 1 1 5 1977 1 1 16 ASN O O -5.676 2.276 -1.077 1.00 . A A . 16 ASN O 1 1 5 1978 1 1 16 ASN OD1 O -2.950 -1.029 -2.913 1.00 . A A . 16 ASN OD1 1 1 5 1979 1 1 17 GLN C C -7.267 -0.293 -1.361 1.00 . A A . 17 GLN C 1 1 5 1980 1 1 17 GLN CA C -7.218 0.568 -2.624 1.00 . A A . 17 GLN CA 1 1 5 1981 1 1 17 GLN CB C -7.791 -0.204 -3.805 1.00 . A A . 17 GLN CB 1 1 5 1982 1 1 17 GLN CD C -9.840 1.159 -4.387 1.00 . A A . 17 GLN CD 1 1 5 1983 1 1 17 GLN CG C -8.474 0.679 -4.838 1.00 . A A . 17 GLN CG 1 1 5 1984 1 1 17 GLN H H -5.418 0.675 -3.734 1.00 . A A . 17 GLN H 1 1 5 1985 1 1 17 GLN HA H -7.813 1.446 -2.469 1.00 . A A . 17 GLN HA 1 1 5 1986 1 1 17 GLN HB2 H -6.988 -0.722 -4.287 1.00 . A A . 17 GLN HB2 1 1 5 1987 1 1 17 GLN HB3 H -8.510 -0.922 -3.441 1.00 . A A . 17 GLN HB3 1 1 5 1988 1 1 17 GLN HE21 H -9.140 3.004 -4.144 1.00 . A A . 17 GLN HE21 1 1 5 1989 1 1 17 GLN HE22 H -10.812 2.782 -3.775 1.00 . A A . 17 GLN HE22 1 1 5 1990 1 1 17 GLN HG2 H -7.852 1.541 -5.024 1.00 . A A . 17 GLN HG2 1 1 5 1991 1 1 17 GLN HG3 H -8.591 0.116 -5.752 1.00 . A A . 17 GLN HG3 1 1 5 1992 1 1 17 GLN N N -5.856 1.000 -2.920 1.00 . A A . 17 GLN N 1 1 5 1993 1 1 17 GLN NE2 N -9.941 2.445 -4.070 1.00 . A A . 17 GLN NE2 1 1 5 1994 1 1 17 GLN O O -6.245 -0.811 -0.912 1.00 . A A . 17 GLN O 1 1 5 1995 1 1 17 GLN OE1 O -10.794 0.383 -4.323 1.00 . A A . 17 GLN OE1 1 1 5 1996 1 1 18 PRO C C -8.529 -2.751 0.209 1.00 . A A . 18 PRO C 1 1 5 1997 1 1 18 PRO CA C -8.649 -1.247 0.453 1.00 . A A . 18 PRO CA 1 1 5 1998 1 1 18 PRO CB C -10.071 -0.895 0.892 1.00 . A A . 18 PRO CB 1 1 5 1999 1 1 18 PRO CD C -9.734 0.139 -1.236 1.00 . A A . 18 PRO CD 1 1 5 2000 1 1 18 PRO CG C -10.770 -0.517 -0.367 1.00 . A A . 18 PRO CG 1 1 5 2001 1 1 18 PRO HA H -7.951 -0.955 1.224 1.00 . A A . 18 PRO HA 1 1 5 2002 1 1 18 PRO HB2 H -10.531 -1.756 1.357 1.00 . A A . 18 PRO HB2 1 1 5 2003 1 1 18 PRO HB3 H -10.044 -0.073 1.589 1.00 . A A . 18 PRO HB3 1 1 5 2004 1 1 18 PRO HD2 H -9.907 -0.100 -2.274 1.00 . A A . 18 PRO HD2 1 1 5 2005 1 1 18 PRO HD3 H -9.738 1.208 -1.088 1.00 . A A . 18 PRO HD3 1 1 5 2006 1 1 18 PRO HG2 H -11.161 -1.401 -0.850 1.00 . A A . 18 PRO HG2 1 1 5 2007 1 1 18 PRO HG3 H -11.569 0.177 -0.149 1.00 . A A . 18 PRO HG3 1 1 5 2008 1 1 18 PRO N N -8.465 -0.451 -0.767 1.00 . A A . 18 PRO N 1 1 5 2009 1 1 18 PRO O O -8.495 -3.539 1.154 1.00 . A A . 18 PRO O 1 1 5 2010 1 1 19 GLY C C -6.984 -4.897 -1.964 1.00 . A A . 19 GLY C 1 1 5 2011 1 1 19 GLY CA C -8.344 -4.554 -1.390 1.00 . A A . 19 GLY CA 1 1 5 2012 1 1 19 GLY H H -8.489 -2.477 -1.776 1.00 . A A . 19 GLY H 1 1 5 2013 1 1 19 GLY HA2 H -8.505 -5.140 -0.497 1.00 . A A . 19 GLY HA2 1 1 5 2014 1 1 19 GLY HA3 H -9.103 -4.808 -2.116 1.00 . A A . 19 GLY HA3 1 1 5 2015 1 1 19 GLY N N -8.463 -3.145 -1.059 1.00 . A A . 19 GLY N 1 1 5 2016 1 1 19 GLY O O -6.631 -6.070 -2.094 1.00 . A A . 19 GLY O 1 1 5 2017 1 1 20 THR C C -3.829 -3.999 -1.783 1.00 . A A . 20 THR C 1 1 5 2018 1 1 20 THR CA C -4.891 -4.046 -2.871 1.00 . A A . 20 THR CA 1 1 5 2019 1 1 20 THR CB C -4.616 -2.956 -3.902 1.00 . A A . 20 THR CB 1 1 5 2020 1 1 20 THR CG2 C -5.185 -3.267 -5.263 1.00 . A A . 20 THR CG2 1 1 5 2021 1 1 20 THR H H -6.559 -2.958 -2.179 1.00 . A A . 20 THR H 1 1 5 2022 1 1 20 THR HA H -4.852 -5.009 -3.357 1.00 . A A . 20 THR HA 1 1 5 2023 1 1 20 THR HB H -3.549 -2.838 -4.007 1.00 . A A . 20 THR HB 1 1 5 2024 1 1 20 THR HG1 H -4.607 -1.335 -2.803 1.00 . A A . 20 THR HG1 1 1 5 2025 1 1 20 THR HG21 H -6.123 -2.747 -5.385 1.00 . A A . 20 THR HG21 1 1 5 2026 1 1 20 THR HG22 H -5.347 -4.330 -5.350 1.00 . A A . 20 THR HG22 1 1 5 2027 1 1 20 THR HG23 H -4.492 -2.942 -6.024 1.00 . A A . 20 THR HG23 1 1 5 2028 1 1 20 THR N N -6.220 -3.867 -2.308 1.00 . A A . 20 THR N 1 1 5 2029 1 1 20 THR O O -2.923 -3.171 -1.831 1.00 . A A . 20 THR O 1 1 5 2030 1 1 20 THR OG1 O -5.167 -1.722 -3.481 1.00 . A A . 20 THR OG1 1 1 5 2031 1 1 21 GLY C C -1.545 -4.786 -0.226 1.00 . A A . 21 GLY C 1 1 5 2032 1 1 21 GLY CA C -2.967 -4.926 0.275 1.00 . A A . 21 GLY CA 1 1 5 2033 1 1 21 GLY H H -4.680 -5.533 -0.817 1.00 . A A . 21 GLY H 1 1 5 2034 1 1 21 GLY HA2 H -3.177 -4.116 0.958 1.00 . A A . 21 GLY HA2 1 1 5 2035 1 1 21 GLY HA3 H -3.060 -5.857 0.800 1.00 . A A . 21 GLY HA3 1 1 5 2036 1 1 21 GLY N N -3.938 -4.892 -0.805 1.00 . A A . 21 GLY N 1 1 5 2037 1 1 21 GLY O O -0.686 -4.238 0.461 1.00 . A A . 21 GLY O 1 1 5 2038 1 1 22 HIS C C 0.293 -3.723 -2.433 1.00 . A A . 22 HIS C 1 1 5 2039 1 1 22 HIS CA C 0.022 -5.172 -2.031 1.00 . A A . 22 HIS CA 1 1 5 2040 1 1 22 HIS CB C 0.147 -6.119 -3.228 1.00 . A A . 22 HIS CB 1 1 5 2041 1 1 22 HIS CD2 C 1.259 -8.456 -3.037 1.00 . A A . 22 HIS CD2 1 1 5 2042 1 1 22 HIS CE1 C -0.351 -9.490 -1.967 1.00 . A A . 22 HIS CE1 1 1 5 2043 1 1 22 HIS CG C 0.261 -7.562 -2.842 1.00 . A A . 22 HIS CG 1 1 5 2044 1 1 22 HIS H H -2.028 -5.681 -1.951 1.00 . A A . 22 HIS H 1 1 5 2045 1 1 22 HIS HA H 0.735 -5.459 -1.274 1.00 . A A . 22 HIS HA 1 1 5 2046 1 1 22 HIS HB2 H -0.724 -6.013 -3.856 1.00 . A A . 22 HIS HB2 1 1 5 2047 1 1 22 HIS HB3 H 1.028 -5.857 -3.796 1.00 . A A . 22 HIS HB3 1 1 5 2048 1 1 22 HIS HD1 H -1.592 -7.864 -1.883 1.00 . A A . 22 HIS HD1 1 1 5 2049 1 1 22 HIS HD2 H 2.200 -8.268 -3.535 1.00 . A A . 22 HIS HD2 1 1 5 2050 1 1 22 HIS HE1 H -0.927 -10.254 -1.465 1.00 . A A . 22 HIS HE1 1 1 5 2051 1 1 22 HIS HE2 H 1.406 -10.450 -2.398 1.00 . A A . 22 HIS HE2 1 1 5 2052 1 1 22 HIS N N -1.301 -5.269 -1.440 1.00 . A A . 22 HIS N 1 1 5 2053 1 1 22 HIS ND1 N -0.733 -8.242 -2.170 1.00 . A A . 22 HIS ND1 1 1 5 2054 1 1 22 HIS NE2 N 0.854 -9.645 -2.484 1.00 . A A . 22 HIS NE2 1 1 5 2055 1 1 22 HIS O O 0.433 -2.866 -1.570 1.00 . A A . 22 HIS O 1 1 5 2056 1 1 23 CYS C C 0.726 -2.024 -5.710 1.00 . A A . 23 CYS C 1 1 5 2057 1 1 23 CYS CA C 0.584 -2.077 -4.196 1.00 . A A . 23 CYS CA 1 1 5 2058 1 1 23 CYS CB C 1.827 -1.479 -3.540 1.00 . A A . 23 CYS CB 1 1 5 2059 1 1 23 CYS H H 0.229 -4.145 -4.386 1.00 . A A . 23 CYS H 1 1 5 2060 1 1 23 CYS HA H -0.274 -1.488 -3.911 1.00 . A A . 23 CYS HA 1 1 5 2061 1 1 23 CYS HB2 H 2.173 -2.137 -2.763 1.00 . A A . 23 CYS HB2 1 1 5 2062 1 1 23 CYS HB3 H 2.599 -1.381 -4.278 1.00 . A A . 23 CYS HB3 1 1 5 2063 1 1 23 CYS N N 0.353 -3.438 -3.731 1.00 . A A . 23 CYS N 1 1 5 2064 1 1 23 CYS O O 1.109 -3.005 -6.347 1.00 . A A . 23 CYS O 1 1 5 2065 1 1 23 CYS SG S 1.554 0.152 -2.811 1.00 . A A . 23 CYS SG 1 1 5 2066 1 1 24 GLU C C 1.736 0.223 -8.031 1.00 . A A . 24 GLU C 1 1 5 2067 1 1 24 GLU CA C 0.534 -0.659 -7.713 1.00 . A A . 24 GLU CA 1 1 5 2068 1 1 24 GLU CB C -0.747 -0.023 -8.258 1.00 . A A . 24 GLU CB 1 1 5 2069 1 1 24 GLU CD C -3.083 -0.809 -8.811 1.00 . A A . 24 GLU CD 1 1 5 2070 1 1 24 GLU CG C -1.600 -0.980 -9.075 1.00 . A A . 24 GLU CG 1 1 5 2071 1 1 24 GLU H H 0.141 -0.116 -5.711 1.00 . A A . 24 GLU H 1 1 5 2072 1 1 24 GLU HA H 0.675 -1.623 -8.176 1.00 . A A . 24 GLU HA 1 1 5 2073 1 1 24 GLU HB2 H -1.338 0.334 -7.429 1.00 . A A . 24 GLU HB2 1 1 5 2074 1 1 24 GLU HB3 H -0.483 0.815 -8.886 1.00 . A A . 24 GLU HB3 1 1 5 2075 1 1 24 GLU HG2 H -1.415 -0.802 -10.124 1.00 . A A . 24 GLU HG2 1 1 5 2076 1 1 24 GLU HG3 H -1.320 -1.993 -8.827 1.00 . A A . 24 GLU HG3 1 1 5 2077 1 1 24 GLU N N 0.428 -0.862 -6.276 1.00 . A A . 24 GLU N 1 1 5 2078 1 1 24 GLU O O 1.782 0.881 -9.070 1.00 . A A . 24 GLU O 1 1 5 2079 1 1 24 GLU OE1 O -3.582 0.329 -8.941 1.00 . A A . 24 GLU OE1 1 1 5 2080 1 1 24 GLU OE2 O -3.746 -1.812 -8.474 1.00 . A A . 24 GLU OE2 1 1 5 2081 1 1 25 MET C C 5.144 0.176 -6.999 1.00 . A A . 25 MET C 1 1 5 2082 1 1 25 MET CA C 3.916 1.021 -7.300 1.00 . A A . 25 MET CA 1 1 5 2083 1 1 25 MET CB C 3.883 2.252 -6.392 1.00 . A A . 25 MET CB 1 1 5 2084 1 1 25 MET CE C 5.839 3.427 -9.220 1.00 . A A . 25 MET CE 1 1 5 2085 1 1 25 MET CG C 4.009 3.567 -7.143 1.00 . A A . 25 MET CG 1 1 5 2086 1 1 25 MET H H 2.621 -0.321 -6.315 1.00 . A A . 25 MET H 1 1 5 2087 1 1 25 MET HA H 3.956 1.343 -8.331 1.00 . A A . 25 MET HA 1 1 5 2088 1 1 25 MET HB2 H 2.949 2.259 -5.849 1.00 . A A . 25 MET HB2 1 1 5 2089 1 1 25 MET HB3 H 4.698 2.186 -5.687 1.00 . A A . 25 MET HB3 1 1 5 2090 1 1 25 MET HE1 H 6.874 3.259 -9.468 1.00 . A A . 25 MET HE1 1 1 5 2091 1 1 25 MET HE2 H 5.422 4.176 -9.871 1.00 . A A . 25 MET HE2 1 1 5 2092 1 1 25 MET HE3 H 5.287 2.505 -9.334 1.00 . A A . 25 MET HE3 1 1 5 2093 1 1 25 MET HG2 H 3.458 3.490 -8.069 1.00 . A A . 25 MET HG2 1 1 5 2094 1 1 25 MET HG3 H 3.585 4.354 -6.538 1.00 . A A . 25 MET HG3 1 1 5 2095 1 1 25 MET N N 2.712 0.228 -7.124 1.00 . A A . 25 MET N 1 1 5 2096 1 1 25 MET O O 5.988 -0.040 -7.868 1.00 . A A . 25 MET O 1 1 5 2097 1 1 25 MET SD S 5.720 3.988 -7.524 1.00 . A A . 25 MET SD 1 1 5 2098 1 1 26 CYS C C 6.132 -2.593 -5.773 1.00 . A A . 26 CYS C 1 1 5 2099 1 1 26 CYS CA C 6.360 -1.138 -5.372 1.00 . A A . 26 CYS CA 1 1 5 2100 1 1 26 CYS CB C 6.593 -1.042 -3.866 1.00 . A A . 26 CYS CB 1 1 5 2101 1 1 26 CYS H H 4.537 -0.117 -5.103 1.00 . A A . 26 CYS H 1 1 5 2102 1 1 26 CYS HA H 7.237 -0.770 -5.885 1.00 . A A . 26 CYS HA 1 1 5 2103 1 1 26 CYS HB2 H 7.206 -1.863 -3.569 1.00 . A A . 26 CYS HB2 1 1 5 2104 1 1 26 CYS HB3 H 7.103 -0.116 -3.644 1.00 . A A . 26 CYS HB3 1 1 5 2105 1 1 26 CYS N N 5.239 -0.313 -5.763 1.00 . A A . 26 CYS N 1 1 5 2106 1 1 26 CYS O O 7.002 -3.217 -6.381 1.00 . A A . 26 CYS O 1 1 5 2107 1 1 26 CYS SG S 5.097 -1.104 -2.856 1.00 . A A . 26 CYS SG 1 1 5 2108 1 1 27 SER C C 4.887 -5.366 -4.470 1.00 . A A . 27 SER C 1 1 5 2109 1 1 27 SER CA C 4.594 -4.519 -5.691 1.00 . A A . 27 SER CA 1 1 5 2110 1 1 27 SER CB C 5.337 -5.069 -6.908 1.00 . A A . 27 SER CB 1 1 5 2111 1 1 27 SER H H 4.331 -2.575 -4.897 1.00 . A A . 27 SER H 1 1 5 2112 1 1 27 SER HA H 3.534 -4.544 -5.886 1.00 . A A . 27 SER HA 1 1 5 2113 1 1 27 SER HB2 H 5.367 -4.313 -7.677 1.00 . A A . 27 SER HB2 1 1 5 2114 1 1 27 SER HB3 H 6.343 -5.333 -6.619 1.00 . A A . 27 SER HB3 1 1 5 2115 1 1 27 SER HG H 3.989 -5.952 -8.022 1.00 . A A . 27 SER HG 1 1 5 2116 1 1 27 SER N N 4.963 -3.128 -5.404 1.00 . A A . 27 SER N 1 1 5 2117 1 1 27 SER O O 5.309 -6.517 -4.569 1.00 . A A . 27 SER O 1 1 5 2118 1 1 27 SER OG O 4.691 -6.220 -7.424 1.00 . A A . 27 SER OG 1 1 5 2119 1 1 28 LEU C C 3.633 -5.438 -1.223 1.00 . A A . 28 LEU C 1 1 5 2120 1 1 28 LEU CA C 4.916 -5.386 -2.043 1.00 . A A . 28 LEU CA 1 1 5 2121 1 1 28 LEU CB C 5.977 -4.583 -1.309 1.00 . A A . 28 LEU CB 1 1 5 2122 1 1 28 LEU CD1 C 8.385 -4.121 -0.819 1.00 . A A . 28 LEU CD1 1 1 5 2123 1 1 28 LEU CD2 C 7.557 -6.480 -0.862 1.00 . A A . 28 LEU CD2 1 1 5 2124 1 1 28 LEU CG C 7.412 -5.092 -1.461 1.00 . A A . 28 LEU CG 1 1 5 2125 1 1 28 LEU H H 4.353 -3.835 -3.319 1.00 . A A . 28 LEU H 1 1 5 2126 1 1 28 LEU HA H 5.277 -6.388 -2.213 1.00 . A A . 28 LEU HA 1 1 5 2127 1 1 28 LEU HB2 H 5.941 -3.576 -1.681 1.00 . A A . 28 LEU HB2 1 1 5 2128 1 1 28 LEU HB3 H 5.724 -4.563 -0.275 1.00 . A A . 28 LEU HB3 1 1 5 2129 1 1 28 LEU HD11 H 8.717 -3.401 -1.553 1.00 . A A . 28 LEU HD11 1 1 5 2130 1 1 28 LEU HD12 H 9.239 -4.667 -0.445 1.00 . A A . 28 LEU HD12 1 1 5 2131 1 1 28 LEU HD13 H 7.899 -3.608 -0.002 1.00 . A A . 28 LEU HD13 1 1 5 2132 1 1 28 LEU HD21 H 7.550 -6.413 0.217 1.00 . A A . 28 LEU HD21 1 1 5 2133 1 1 28 LEU HD22 H 8.504 -6.908 -1.180 1.00 . A A . 28 LEU HD22 1 1 5 2134 1 1 28 LEU HD23 H 6.755 -7.112 -1.193 1.00 . A A . 28 LEU HD23 1 1 5 2135 1 1 28 LEU HG H 7.642 -5.152 -2.515 1.00 . A A . 28 LEU HG 1 1 5 2136 1 1 28 LEU N N 4.673 -4.756 -3.316 1.00 . A A . 28 LEU N 1 1 5 2137 1 1 28 LEU O O 2.635 -4.827 -1.591 1.00 . A A . 28 LEU O 1 1 5 2138 1 1 29 PRO C C 2.286 -5.075 1.673 1.00 . A A . 29 PRO C 1 1 5 2139 1 1 29 PRO CA C 2.488 -6.296 0.780 1.00 . A A . 29 PRO CA 1 1 5 2140 1 1 29 PRO CB C 2.833 -7.523 1.621 1.00 . A A . 29 PRO CB 1 1 5 2141 1 1 29 PRO CD C 4.815 -6.908 0.407 1.00 . A A . 29 PRO CD 1 1 5 2142 1 1 29 PRO CG C 4.323 -7.524 1.693 1.00 . A A . 29 PRO CG 1 1 5 2143 1 1 29 PRO HA H 1.584 -6.483 0.218 1.00 . A A . 29 PRO HA 1 1 5 2144 1 1 29 PRO HB2 H 2.389 -7.429 2.602 1.00 . A A . 29 PRO HB2 1 1 5 2145 1 1 29 PRO HB3 H 2.463 -8.413 1.135 1.00 . A A . 29 PRO HB3 1 1 5 2146 1 1 29 PRO HD2 H 5.638 -6.236 0.599 1.00 . A A . 29 PRO HD2 1 1 5 2147 1 1 29 PRO HD3 H 5.110 -7.674 -0.293 1.00 . A A . 29 PRO HD3 1 1 5 2148 1 1 29 PRO HG2 H 4.649 -6.934 2.536 1.00 . A A . 29 PRO HG2 1 1 5 2149 1 1 29 PRO HG3 H 4.684 -8.538 1.782 1.00 . A A . 29 PRO HG3 1 1 5 2150 1 1 29 PRO N N 3.650 -6.163 -0.098 1.00 . A A . 29 PRO N 1 1 5 2151 1 1 29 PRO O O 3.203 -4.276 1.866 1.00 . A A . 29 PRO O 1 1 5 2152 1 1 30 ARG C C 1.463 -3.953 4.440 1.00 . A A . 30 ARG C 1 1 5 2153 1 1 30 ARG CA C 0.756 -3.824 3.101 1.00 . A A . 30 ARG CA 1 1 5 2154 1 1 30 ARG CB C -0.754 -3.743 3.310 1.00 . A A . 30 ARG CB 1 1 5 2155 1 1 30 ARG CD C -2.828 -2.324 3.293 1.00 . A A . 30 ARG CD 1 1 5 2156 1 1 30 ARG CG C -1.310 -2.333 3.210 1.00 . A A . 30 ARG CG 1 1 5 2157 1 1 30 ARG CZ C -4.575 -3.626 4.444 1.00 . A A . 30 ARG CZ 1 1 5 2158 1 1 30 ARG H H 0.394 -5.615 2.039 1.00 . A A . 30 ARG H 1 1 5 2159 1 1 30 ARG HA H 1.097 -2.927 2.626 1.00 . A A . 30 ARG HA 1 1 5 2160 1 1 30 ARG HB2 H -1.239 -4.354 2.565 1.00 . A A . 30 ARG HB2 1 1 5 2161 1 1 30 ARG HB3 H -0.993 -4.132 4.286 1.00 . A A . 30 ARG HB3 1 1 5 2162 1 1 30 ARG HD2 H -3.161 -1.312 3.470 1.00 . A A . 30 ARG HD2 1 1 5 2163 1 1 30 ARG HD3 H -3.229 -2.675 2.353 1.00 . A A . 30 ARG HD3 1 1 5 2164 1 1 30 ARG HE H -2.691 -3.434 5.073 1.00 . A A . 30 ARG HE 1 1 5 2165 1 1 30 ARG HG2 H -0.912 -1.741 4.021 1.00 . A A . 30 ARG HG2 1 1 5 2166 1 1 30 ARG HG3 H -1.007 -1.903 2.267 1.00 . A A . 30 ARG HG3 1 1 5 2167 1 1 30 ARG HH11 H -5.190 -2.719 2.744 1.00 . A A . 30 ARG HH11 1 1 5 2168 1 1 30 ARG HH12 H -6.399 -3.642 3.572 1.00 . A A . 30 ARG HH12 1 1 5 2169 1 1 30 ARG HH21 H -4.279 -4.647 6.163 1.00 . A A . 30 ARG HH21 1 1 5 2170 1 1 30 ARG HH22 H -5.883 -4.736 5.514 1.00 . A A . 30 ARG HH22 1 1 5 2171 1 1 30 ARG N N 1.080 -4.942 2.222 1.00 . A A . 30 ARG N 1 1 5 2172 1 1 30 ARG NE N -3.324 -3.179 4.369 1.00 . A A . 30 ARG NE 1 1 5 2173 1 1 30 ARG NH1 N -5.460 -3.302 3.510 1.00 . A A . 30 ARG NH1 1 1 5 2174 1 1 30 ARG NH2 N -4.943 -4.400 5.457 1.00 . A A . 30 ARG NH2 1 1 5 2175 1 1 30 ARG O O 1.453 -3.031 5.256 1.00 . A A . 30 ARG O 1 1 5 2176 1 1 31 THR C C 3.988 -6.270 5.647 1.00 . A A . 31 THR C 1 1 5 2177 1 1 31 THR CA C 2.781 -5.370 5.897 1.00 . A A . 31 THR CA 1 1 5 2178 1 1 31 THR CB C 1.831 -6.018 6.908 1.00 . A A . 31 THR CB 1 1 5 2179 1 1 31 THR CG2 C 2.530 -6.575 8.132 1.00 . A A . 31 THR CG2 1 1 5 2180 1 1 31 THR H H 2.034 -5.794 3.970 1.00 . A A . 31 THR H 1 1 5 2181 1 1 31 THR HA H 3.122 -4.424 6.288 1.00 . A A . 31 THR HA 1 1 5 2182 1 1 31 THR HB H 1.312 -6.832 6.421 1.00 . A A . 31 THR HB 1 1 5 2183 1 1 31 THR HG1 H 1.294 -4.414 7.895 1.00 . A A . 31 THR HG1 1 1 5 2184 1 1 31 THR HG21 H 3.236 -7.333 7.829 1.00 . A A . 31 THR HG21 1 1 5 2185 1 1 31 THR HG22 H 1.798 -7.010 8.797 1.00 . A A . 31 THR HG22 1 1 5 2186 1 1 31 THR HG23 H 3.051 -5.780 8.642 1.00 . A A . 31 THR HG23 1 1 5 2187 1 1 31 THR N N 2.070 -5.105 4.658 1.00 . A A . 31 THR N 1 1 5 2188 1 1 31 THR O O 5.030 -5.813 5.179 1.00 . A A . 31 THR O 1 1 5 2189 1 1 31 THR OG1 O 0.866 -5.083 7.356 1.00 . A A . 31 THR OG1 1 1 5 2190 2 2 1 ZN ZN ZN 3.841 0.769 -2.411 1.00 . B A . 32 ZN ZN 1 1 6 2191 1 1 1 GLY C C -17.822 0.192 -5.045 1.00 . A A . 1 GLY C 1 1 6 2192 1 1 1 GLY CA C -17.816 0.231 -6.560 1.00 . A A . 1 GLY CA 1 1 6 2193 1 1 1 GLY H1 H -18.225 -1.792 -6.884 1.00 . A A . 1 GLY H1 1 1 6 2194 1 1 1 GLY H2 H -16.575 -1.424 -6.842 1.00 . A A . 1 GLY H2 1 1 6 2195 1 1 1 GLY H3 H -17.497 -1.021 -8.201 1.00 . A A . 1 GLY H3 1 1 6 2196 1 1 1 GLY HA2 H -17.077 0.946 -6.889 1.00 . A A . 1 GLY HA2 1 1 6 2197 1 1 1 GLY HA3 H -18.789 0.552 -6.905 1.00 . A A . 1 GLY HA3 1 1 6 2198 1 1 1 GLY N N -17.507 -1.094 -7.164 1.00 . A A . 1 GLY N 1 1 6 2199 1 1 1 GLY O O -17.646 -0.867 -4.445 1.00 . A A . 1 GLY O 1 1 6 2200 1 1 2 SER C C -16.720 1.001 -2.372 1.00 . A A . 2 SER C 1 1 6 2201 1 1 2 SER CA C -18.051 1.445 -2.971 1.00 . A A . 2 SER CA 1 1 6 2202 1 1 2 SER CB C -19.188 0.592 -2.405 1.00 . A A . 2 SER CB 1 1 6 2203 1 1 2 SER H H -18.158 2.161 -4.960 1.00 . A A . 2 SER H 1 1 6 2204 1 1 2 SER HA H -18.223 2.478 -2.709 1.00 . A A . 2 SER HA 1 1 6 2205 1 1 2 SER HB2 H -19.935 0.439 -3.169 1.00 . A A . 2 SER HB2 1 1 6 2206 1 1 2 SER HB3 H -18.795 -0.363 -2.090 1.00 . A A . 2 SER HB3 1 1 6 2207 1 1 2 SER HG H -20.394 1.911 -1.602 1.00 . A A . 2 SER HG 1 1 6 2208 1 1 2 SER N N -18.024 1.350 -4.426 1.00 . A A . 2 SER N 1 1 6 2209 1 1 2 SER O O -16.429 -0.193 -2.297 1.00 . A A . 2 SER O 1 1 6 2210 1 1 2 SER OG O -19.797 1.226 -1.293 1.00 . A A . 2 SER OG 1 1 6 2211 1 1 3 THR C C -14.643 1.907 0.154 1.00 . A A . 3 THR C 1 1 6 2212 1 1 3 THR CA C -14.616 1.680 -1.354 1.00 . A A . 3 THR CA 1 1 6 2213 1 1 3 THR CB C -13.535 2.552 -1.994 1.00 . A A . 3 THR CB 1 1 6 2214 1 1 3 THR CG2 C -12.133 2.176 -1.566 1.00 . A A . 3 THR CG2 1 1 6 2215 1 1 3 THR H H -16.205 2.902 -2.034 1.00 . A A . 3 THR H 1 1 6 2216 1 1 3 THR HA H -14.389 0.642 -1.546 1.00 . A A . 3 THR HA 1 1 6 2217 1 1 3 THR HB H -13.702 3.581 -1.710 1.00 . A A . 3 THR HB 1 1 6 2218 1 1 3 THR HG1 H -13.092 3.188 -3.792 1.00 . A A . 3 THR HG1 1 1 6 2219 1 1 3 THR HG21 H -12.093 2.096 -0.490 1.00 . A A . 3 THR HG21 1 1 6 2220 1 1 3 THR HG22 H -11.440 2.936 -1.896 1.00 . A A . 3 THR HG22 1 1 6 2221 1 1 3 THR HG23 H -11.864 1.228 -2.008 1.00 . A A . 3 THR HG23 1 1 6 2222 1 1 3 THR N N -15.916 1.970 -1.947 1.00 . A A . 3 THR N 1 1 6 2223 1 1 3 THR O O -15.134 2.931 0.629 1.00 . A A . 3 THR O 1 1 6 2224 1 1 3 THR OG1 O -13.591 2.464 -3.406 1.00 . A A . 3 THR OG1 1 1 6 2225 1 1 4 SER C C -13.108 2.134 2.805 1.00 . A A . 4 SER C 1 1 6 2226 1 1 4 SER CA C -14.075 1.042 2.356 1.00 . A A . 4 SER CA 1 1 6 2227 1 1 4 SER CB C -13.669 -0.301 2.967 1.00 . A A . 4 SER CB 1 1 6 2228 1 1 4 SER H H -13.735 0.153 0.466 1.00 . A A . 4 SER H 1 1 6 2229 1 1 4 SER HA H -15.068 1.295 2.696 1.00 . A A . 4 SER HA 1 1 6 2230 1 1 4 SER HB2 H -12.766 -0.653 2.491 1.00 . A A . 4 SER HB2 1 1 6 2231 1 1 4 SER HB3 H -13.491 -0.174 4.026 1.00 . A A . 4 SER HB3 1 1 6 2232 1 1 4 SER HG H -14.487 -2.046 3.320 1.00 . A A . 4 SER HG 1 1 6 2233 1 1 4 SER N N -14.111 0.945 0.902 1.00 . A A . 4 SER N 1 1 6 2234 1 1 4 SER O O -13.525 3.233 3.169 1.00 . A A . 4 SER O 1 1 6 2235 1 1 4 SER OG O -14.685 -1.272 2.788 1.00 . A A . 4 SER OG 1 1 6 2236 1 1 5 ALA C C -9.436 2.416 2.589 1.00 . A A . 5 ALA C 1 1 6 2237 1 1 5 ALA CA C -10.792 2.780 3.181 1.00 . A A . 5 ALA CA 1 1 6 2238 1 1 5 ALA CB C -10.703 2.850 4.697 1.00 . A A . 5 ALA CB 1 1 6 2239 1 1 5 ALA H H -11.544 0.931 2.477 1.00 . A A . 5 ALA H 1 1 6 2240 1 1 5 ALA HA H -11.083 3.754 2.815 1.00 . A A . 5 ALA HA 1 1 6 2241 1 1 5 ALA HB1 H -10.440 1.879 5.087 1.00 . A A . 5 ALA HB1 1 1 6 2242 1 1 5 ALA HB2 H -11.658 3.154 5.100 1.00 . A A . 5 ALA HB2 1 1 6 2243 1 1 5 ALA HB3 H -9.947 3.569 4.980 1.00 . A A . 5 ALA HB3 1 1 6 2244 1 1 5 ALA N N -11.816 1.824 2.776 1.00 . A A . 5 ALA N 1 1 6 2245 1 1 5 ALA O O -8.904 1.336 2.847 1.00 . A A . 5 ALA O 1 1 6 2246 1 1 6 MET C C -6.465 3.208 2.205 1.00 . A A . 6 MET C 1 1 6 2247 1 1 6 MET CA C -7.582 3.102 1.176 1.00 . A A . 6 MET CA 1 1 6 2248 1 1 6 MET CB C -7.355 4.123 0.064 1.00 . A A . 6 MET CB 1 1 6 2249 1 1 6 MET CE C -10.102 5.728 -0.761 1.00 . A A . 6 MET CE 1 1 6 2250 1 1 6 MET CG C -8.134 3.827 -1.208 1.00 . A A . 6 MET CG 1 1 6 2251 1 1 6 MET H H -9.346 4.169 1.633 1.00 . A A . 6 MET H 1 1 6 2252 1 1 6 MET HA H -7.580 2.110 0.751 1.00 . A A . 6 MET HA 1 1 6 2253 1 1 6 MET HB2 H -7.646 5.096 0.423 1.00 . A A . 6 MET HB2 1 1 6 2254 1 1 6 MET HB3 H -6.306 4.144 -0.180 1.00 . A A . 6 MET HB3 1 1 6 2255 1 1 6 MET HE1 H -9.645 5.893 0.204 1.00 . A A . 6 MET HE1 1 1 6 2256 1 1 6 MET HE2 H -10.810 4.917 -0.688 1.00 . A A . 6 MET HE2 1 1 6 2257 1 1 6 MET HE3 H -10.612 6.625 -1.076 1.00 . A A . 6 MET HE3 1 1 6 2258 1 1 6 MET HG2 H -7.471 3.361 -1.920 1.00 . A A . 6 MET HG2 1 1 6 2259 1 1 6 MET HG3 H -8.939 3.147 -0.970 1.00 . A A . 6 MET HG3 1 1 6 2260 1 1 6 MET N N -8.877 3.325 1.799 1.00 . A A . 6 MET N 1 1 6 2261 1 1 6 MET O O -6.713 3.483 3.379 1.00 . A A . 6 MET O 1 1 6 2262 1 1 6 MET SD S -8.835 5.311 -1.956 1.00 . A A . 6 MET SD 1 1 6 2263 1 1 7 TRP C C -2.907 3.783 1.968 1.00 . A A . 7 TRP C 1 1 6 2264 1 1 7 TRP CA C -4.081 3.089 2.643 1.00 . A A . 7 TRP CA 1 1 6 2265 1 1 7 TRP CB C -3.653 1.704 3.141 1.00 . A A . 7 TRP CB 1 1 6 2266 1 1 7 TRP CD1 C -4.303 -0.029 1.353 1.00 . A A . 7 TRP CD1 1 1 6 2267 1 1 7 TRP CD2 C -2.096 0.307 1.555 1.00 . A A . 7 TRP CD2 1 1 6 2268 1 1 7 TRP CE2 C -2.313 -0.663 0.558 1.00 . A A . 7 TRP CE2 1 1 6 2269 1 1 7 TRP CE3 C -0.782 0.682 1.854 1.00 . A A . 7 TRP CE3 1 1 6 2270 1 1 7 TRP CG C -3.382 0.702 2.053 1.00 . A A . 7 TRP CG 1 1 6 2271 1 1 7 TRP CH2 C 0.009 -0.877 0.174 1.00 . A A . 7 TRP CH2 1 1 6 2272 1 1 7 TRP CZ2 C -1.267 -1.263 -0.138 1.00 . A A . 7 TRP CZ2 1 1 6 2273 1 1 7 TRP CZ3 C 0.256 0.086 1.158 1.00 . A A . 7 TRP CZ3 1 1 6 2274 1 1 7 TRP H H -5.099 2.799 0.808 1.00 . A A . 7 TRP H 1 1 6 2275 1 1 7 TRP HA H -4.377 3.681 3.496 1.00 . A A . 7 TRP HA 1 1 6 2276 1 1 7 TRP HB2 H -2.749 1.807 3.721 1.00 . A A . 7 TRP HB2 1 1 6 2277 1 1 7 TRP HB3 H -4.430 1.308 3.773 1.00 . A A . 7 TRP HB3 1 1 6 2278 1 1 7 TRP HD1 H -5.371 0.040 1.499 1.00 . A A . 7 TRP HD1 1 1 6 2279 1 1 7 TRP HE1 H -4.110 -1.472 -0.172 1.00 . A A . 7 TRP HE1 1 1 6 2280 1 1 7 TRP HE3 H -0.572 1.423 2.610 1.00 . A A . 7 TRP HE3 1 1 6 2281 1 1 7 TRP HH2 H 0.853 -1.312 -0.349 1.00 . A A . 7 TRP HH2 1 1 6 2282 1 1 7 TRP HZ2 H -1.443 -2.013 -0.895 1.00 . A A . 7 TRP HZ2 1 1 6 2283 1 1 7 TRP HZ3 H 1.276 0.362 1.376 1.00 . A A . 7 TRP HZ3 1 1 6 2284 1 1 7 TRP N N -5.234 3.002 1.755 1.00 . A A . 7 TRP N 1 1 6 2285 1 1 7 TRP NE1 N -3.666 -0.852 0.451 1.00 . A A . 7 TRP NE1 1 1 6 2286 1 1 7 TRP O O -2.853 3.898 0.743 1.00 . A A . 7 TRP O 1 1 6 2287 1 1 8 ALA C C 0.457 4.050 2.488 1.00 . A A . 8 ALA C 1 1 6 2288 1 1 8 ALA CA C -0.777 4.920 2.287 1.00 . A A . 8 ALA CA 1 1 6 2289 1 1 8 ALA CB C -0.604 6.261 2.987 1.00 . A A . 8 ALA CB 1 1 6 2290 1 1 8 ALA H H -2.074 4.105 3.750 1.00 . A A . 8 ALA H 1 1 6 2291 1 1 8 ALA HA H -0.913 5.103 1.230 1.00 . A A . 8 ALA HA 1 1 6 2292 1 1 8 ALA HB1 H -0.417 6.097 4.038 1.00 . A A . 8 ALA HB1 1 1 6 2293 1 1 8 ALA HB2 H -1.503 6.847 2.868 1.00 . A A . 8 ALA HB2 1 1 6 2294 1 1 8 ALA HB3 H 0.231 6.789 2.550 1.00 . A A . 8 ALA HB3 1 1 6 2295 1 1 8 ALA N N -1.967 4.238 2.785 1.00 . A A . 8 ALA N 1 1 6 2296 1 1 8 ALA O O 0.815 3.715 3.618 1.00 . A A . 8 ALA O 1 1 6 2297 1 1 9 CYS C C 3.448 3.559 2.099 1.00 . A A . 9 CYS C 1 1 6 2298 1 1 9 CYS CA C 2.282 2.838 1.441 1.00 . A A . 9 CYS CA 1 1 6 2299 1 1 9 CYS CB C 2.674 2.389 0.036 1.00 . A A . 9 CYS CB 1 1 6 2300 1 1 9 CYS H H 0.765 3.973 0.517 1.00 . A A . 9 CYS H 1 1 6 2301 1 1 9 CYS HA H 2.039 1.967 2.028 1.00 . A A . 9 CYS HA 1 1 6 2302 1 1 9 CYS HB2 H 1.785 2.087 -0.502 1.00 . A A . 9 CYS HB2 1 1 6 2303 1 1 9 CYS HB3 H 3.137 3.217 -0.481 1.00 . A A . 9 CYS HB3 1 1 6 2304 1 1 9 CYS N N 1.097 3.678 1.387 1.00 . A A . 9 CYS N 1 1 6 2305 1 1 9 CYS O O 3.461 4.786 2.195 1.00 . A A . 9 CYS O 1 1 6 2306 1 1 9 CYS SG S 3.835 1.000 0.004 1.00 . A A . 9 CYS SG 1 1 6 2307 1 1 10 GLN C C 6.871 2.991 2.395 1.00 . A A . 10 GLN C 1 1 6 2308 1 1 10 GLN CA C 5.612 3.348 3.180 1.00 . A A . 10 GLN CA 1 1 6 2309 1 1 10 GLN CB C 5.732 2.845 4.621 1.00 . A A . 10 GLN CB 1 1 6 2310 1 1 10 GLN CD C 3.893 1.342 5.482 1.00 . A A . 10 GLN CD 1 1 6 2311 1 1 10 GLN CG C 4.402 2.765 5.354 1.00 . A A . 10 GLN CG 1 1 6 2312 1 1 10 GLN H H 4.367 1.816 2.429 1.00 . A A . 10 GLN H 1 1 6 2313 1 1 10 GLN HA H 5.497 4.421 3.189 1.00 . A A . 10 GLN HA 1 1 6 2314 1 1 10 GLN HB2 H 6.172 1.859 4.610 1.00 . A A . 10 GLN HB2 1 1 6 2315 1 1 10 GLN HB3 H 6.381 3.513 5.169 1.00 . A A . 10 GLN HB3 1 1 6 2316 1 1 10 GLN HE21 H 2.910 1.513 3.762 1.00 . A A . 10 GLN HE21 1 1 6 2317 1 1 10 GLN HE22 H 2.769 -0.014 4.558 1.00 . A A . 10 GLN HE22 1 1 6 2318 1 1 10 GLN HG2 H 4.525 3.176 6.344 1.00 . A A . 10 GLN HG2 1 1 6 2319 1 1 10 GLN HG3 H 3.671 3.346 4.812 1.00 . A A . 10 GLN HG3 1 1 6 2320 1 1 10 GLN N N 4.434 2.786 2.541 1.00 . A A . 10 GLN N 1 1 6 2321 1 1 10 GLN NE2 N 3.112 0.903 4.502 1.00 . A A . 10 GLN NE2 1 1 6 2322 1 1 10 GLN O O 7.941 2.798 2.974 1.00 . A A . 10 GLN O 1 1 6 2323 1 1 10 GLN OE1 O 4.198 0.646 6.450 1.00 . A A . 10 GLN OE1 1 1 6 2324 1 1 11 HIS C C 7.829 3.491 -1.016 1.00 . A A . 11 HIS C 1 1 6 2325 1 1 11 HIS CA C 7.861 2.588 0.206 1.00 . A A . 11 HIS CA 1 1 6 2326 1 1 11 HIS CB C 7.806 1.120 -0.222 1.00 . A A . 11 HIS CB 1 1 6 2327 1 1 11 HIS CD2 C 10.098 0.869 -1.409 1.00 . A A . 11 HIS CD2 1 1 6 2328 1 1 11 HIS CE1 C 10.854 -0.846 -0.276 1.00 . A A . 11 HIS CE1 1 1 6 2329 1 1 11 HIS CG C 9.147 0.529 -0.503 1.00 . A A . 11 HIS CG 1 1 6 2330 1 1 11 HIS H H 5.859 3.084 0.667 1.00 . A A . 11 HIS H 1 1 6 2331 1 1 11 HIS HA H 8.773 2.768 0.754 1.00 . A A . 11 HIS HA 1 1 6 2332 1 1 11 HIS HB2 H 7.347 0.541 0.565 1.00 . A A . 11 HIS HB2 1 1 6 2333 1 1 11 HIS HB3 H 7.210 1.036 -1.118 1.00 . A A . 11 HIS HB3 1 1 6 2334 1 1 11 HIS HD1 H 9.204 -1.028 0.917 1.00 . A A . 11 HIS HD1 1 1 6 2335 1 1 11 HIS HD2 H 10.032 1.678 -2.126 1.00 . A A . 11 HIS HD2 1 1 6 2336 1 1 11 HIS HE1 H 11.490 -1.645 0.075 1.00 . A A . 11 HIS HE1 1 1 6 2337 1 1 11 HIS HE2 H 11.934 -0.049 -1.823 1.00 . A A . 11 HIS HE2 1 1 6 2338 1 1 11 HIS N N 6.738 2.911 1.074 1.00 . A A . 11 HIS N 1 1 6 2339 1 1 11 HIS ND1 N 9.658 -0.551 0.190 1.00 . A A . 11 HIS ND1 1 1 6 2340 1 1 11 HIS NE2 N 11.146 0.000 -1.247 1.00 . A A . 11 HIS NE2 1 1 6 2341 1 1 11 HIS O O 8.762 4.257 -1.264 1.00 . A A . 11 HIS O 1 1 6 2342 1 1 12 CYS C C 5.966 5.587 -2.512 1.00 . A A . 12 CYS C 1 1 6 2343 1 1 12 CYS CA C 6.547 4.242 -2.927 1.00 . A A . 12 CYS CA 1 1 6 2344 1 1 12 CYS CB C 5.615 3.548 -3.913 1.00 . A A . 12 CYS CB 1 1 6 2345 1 1 12 CYS H H 6.017 2.806 -1.496 1.00 . A A . 12 CYS H 1 1 6 2346 1 1 12 CYS HA H 7.509 4.396 -3.391 1.00 . A A . 12 CYS HA 1 1 6 2347 1 1 12 CYS HB2 H 5.343 4.250 -4.666 1.00 . A A . 12 CYS HB2 1 1 6 2348 1 1 12 CYS HB3 H 6.133 2.717 -4.367 1.00 . A A . 12 CYS HB3 1 1 6 2349 1 1 12 CYS N N 6.732 3.417 -1.757 1.00 . A A . 12 CYS N 1 1 6 2350 1 1 12 CYS O O 6.280 6.620 -3.097 1.00 . A A . 12 CYS O 1 1 6 2351 1 1 12 CYS SG S 4.083 2.919 -3.193 1.00 . A A . 12 CYS SG 1 1 6 2352 1 1 13 THR C C 3.245 7.141 -1.724 1.00 . A A . 13 THR C 1 1 6 2353 1 1 13 THR CA C 4.479 6.735 -0.918 1.00 . A A . 13 THR CA 1 1 6 2354 1 1 13 THR CB C 5.476 7.902 -0.795 1.00 . A A . 13 THR CB 1 1 6 2355 1 1 13 THR CG2 C 5.522 8.836 -1.992 1.00 . A A . 13 THR CG2 1 1 6 2356 1 1 13 THR H H 4.938 4.671 -1.067 1.00 . A A . 13 THR H 1 1 6 2357 1 1 13 THR HA H 4.148 6.470 0.076 1.00 . A A . 13 THR HA 1 1 6 2358 1 1 13 THR HB H 6.465 7.490 -0.661 1.00 . A A . 13 THR HB 1 1 6 2359 1 1 13 THR HG1 H 5.941 9.220 0.577 1.00 . A A . 13 THR HG1 1 1 6 2360 1 1 13 THR HG21 H 5.039 9.768 -1.739 1.00 . A A . 13 THR HG21 1 1 6 2361 1 1 13 THR HG22 H 5.011 8.381 -2.827 1.00 . A A . 13 THR HG22 1 1 6 2362 1 1 13 THR HG23 H 6.551 9.026 -2.260 1.00 . A A . 13 THR HG23 1 1 6 2363 1 1 13 THR N N 5.126 5.544 -1.477 1.00 . A A . 13 THR N 1 1 6 2364 1 1 13 THR O O 2.961 8.325 -1.898 1.00 . A A . 13 THR O 1 1 6 2365 1 1 13 THR OG1 O 5.175 8.692 0.342 1.00 . A A . 13 THR OG1 1 1 6 2366 1 1 14 PHE C C 0.095 5.783 -2.256 1.00 . A A . 14 PHE C 1 1 6 2367 1 1 14 PHE CA C 1.297 6.391 -2.960 1.00 . A A . 14 PHE CA 1 1 6 2368 1 1 14 PHE CB C 1.434 5.802 -4.361 1.00 . A A . 14 PHE CB 1 1 6 2369 1 1 14 PHE CD1 C -0.074 7.372 -5.609 1.00 . A A . 14 PHE CD1 1 1 6 2370 1 1 14 PHE CD2 C -0.515 5.033 -5.741 1.00 . A A . 14 PHE CD2 1 1 6 2371 1 1 14 PHE CE1 C -1.155 7.625 -6.432 1.00 . A A . 14 PHE CE1 1 1 6 2372 1 1 14 PHE CE2 C -1.597 5.279 -6.564 1.00 . A A . 14 PHE CE2 1 1 6 2373 1 1 14 PHE CG C 0.258 6.075 -5.255 1.00 . A A . 14 PHE CG 1 1 6 2374 1 1 14 PHE CZ C -1.918 6.577 -6.910 1.00 . A A . 14 PHE CZ 1 1 6 2375 1 1 14 PHE H H 2.771 5.225 -2.012 1.00 . A A . 14 PHE H 1 1 6 2376 1 1 14 PHE HA H 1.159 7.457 -3.037 1.00 . A A . 14 PHE HA 1 1 6 2377 1 1 14 PHE HB2 H 2.306 6.222 -4.830 1.00 . A A . 14 PHE HB2 1 1 6 2378 1 1 14 PHE HB3 H 1.553 4.733 -4.284 1.00 . A A . 14 PHE HB3 1 1 6 2379 1 1 14 PHE HD1 H 0.522 8.193 -5.237 1.00 . A A . 14 PHE HD1 1 1 6 2380 1 1 14 PHE HD2 H -0.265 4.017 -5.471 1.00 . A A . 14 PHE HD2 1 1 6 2381 1 1 14 PHE HE1 H -1.403 8.641 -6.701 1.00 . A A . 14 PHE HE1 1 1 6 2382 1 1 14 PHE HE2 H -2.192 4.457 -6.936 1.00 . A A . 14 PHE HE2 1 1 6 2383 1 1 14 PHE HZ H -2.763 6.772 -7.553 1.00 . A A . 14 PHE HZ 1 1 6 2384 1 1 14 PHE N N 2.505 6.147 -2.194 1.00 . A A . 14 PHE N 1 1 6 2385 1 1 14 PHE O O 0.237 4.966 -1.347 1.00 . A A . 14 PHE O 1 1 6 2386 1 1 15 MET C C -2.707 4.370 -2.778 1.00 . A A . 15 MET C 1 1 6 2387 1 1 15 MET CA C -2.323 5.672 -2.109 1.00 . A A . 15 MET CA 1 1 6 2388 1 1 15 MET CB C -3.450 6.696 -2.248 1.00 . A A . 15 MET CB 1 1 6 2389 1 1 15 MET CE C -6.052 8.452 -2.685 1.00 . A A . 15 MET CE 1 1 6 2390 1 1 15 MET CG C -4.753 6.257 -1.601 1.00 . A A . 15 MET CG 1 1 6 2391 1 1 15 MET H H -1.128 6.829 -3.419 1.00 . A A . 15 MET H 1 1 6 2392 1 1 15 MET HA H -2.145 5.472 -1.061 1.00 . A A . 15 MET HA 1 1 6 2393 1 1 15 MET HB2 H -3.139 7.622 -1.787 1.00 . A A . 15 MET HB2 1 1 6 2394 1 1 15 MET HB3 H -3.635 6.872 -3.297 1.00 . A A . 15 MET HB3 1 1 6 2395 1 1 15 MET HE1 H -5.111 8.820 -3.064 1.00 . A A . 15 MET HE1 1 1 6 2396 1 1 15 MET HE2 H -6.737 9.278 -2.559 1.00 . A A . 15 MET HE2 1 1 6 2397 1 1 15 MET HE3 H -6.470 7.742 -3.385 1.00 . A A . 15 MET HE3 1 1 6 2398 1 1 15 MET HG2 H -5.304 5.652 -2.307 1.00 . A A . 15 MET HG2 1 1 6 2399 1 1 15 MET HG3 H -4.525 5.668 -0.726 1.00 . A A . 15 MET HG3 1 1 6 2400 1 1 15 MET N N -1.087 6.182 -2.689 1.00 . A A . 15 MET N 1 1 6 2401 1 1 15 MET O O -2.358 4.122 -3.933 1.00 . A A . 15 MET O 1 1 6 2402 1 1 15 MET SD S -5.787 7.649 -1.106 1.00 . A A . 15 MET SD 1 1 6 2403 1 1 16 ASN C C -5.199 1.854 -2.109 1.00 . A A . 16 ASN C 1 1 6 2404 1 1 16 ASN CA C -3.782 2.224 -2.540 1.00 . A A . 16 ASN CA 1 1 6 2405 1 1 16 ASN CB C -2.786 1.201 -2.023 1.00 . A A . 16 ASN CB 1 1 6 2406 1 1 16 ASN CG C -2.500 0.106 -3.023 1.00 . A A . 16 ASN CG 1 1 6 2407 1 1 16 ASN H H -3.614 3.762 -1.110 1.00 . A A . 16 ASN H 1 1 6 2408 1 1 16 ASN HA H -3.733 2.252 -3.617 1.00 . A A . 16 ASN HA 1 1 6 2409 1 1 16 ASN HB2 H -1.856 1.701 -1.795 1.00 . A A . 16 ASN HB2 1 1 6 2410 1 1 16 ASN HB3 H -3.177 0.766 -1.126 1.00 . A A . 16 ASN HB3 1 1 6 2411 1 1 16 ASN HD21 H -1.304 1.325 -4.039 1.00 . A A . 16 ASN HD21 1 1 6 2412 1 1 16 ASN HD22 H -1.477 -0.268 -4.683 1.00 . A A . 16 ASN HD22 1 1 6 2413 1 1 16 ASN N N -3.393 3.522 -2.034 1.00 . A A . 16 ASN N 1 1 6 2414 1 1 16 ASN ND2 N -1.677 0.418 -4.015 1.00 . A A . 16 ASN ND2 1 1 6 2415 1 1 16 ASN O O -5.681 2.305 -1.074 1.00 . A A . 16 ASN O 1 1 6 2416 1 1 16 ASN OD1 O -3.005 -1.006 -2.905 1.00 . A A . 16 ASN OD1 1 1 6 2417 1 1 17 GLN C C -7.274 -0.270 -1.358 1.00 . A A . 17 GLN C 1 1 6 2418 1 1 17 GLN CA C -7.223 0.594 -2.619 1.00 . A A . 17 GLN CA 1 1 6 2419 1 1 17 GLN CB C -7.798 -0.172 -3.801 1.00 . A A . 17 GLN CB 1 1 6 2420 1 1 17 GLN CD C -9.852 1.185 -4.378 1.00 . A A . 17 GLN CD 1 1 6 2421 1 1 17 GLN CG C -8.484 0.713 -4.830 1.00 . A A . 17 GLN CG 1 1 6 2422 1 1 17 GLN H H -5.422 0.697 -3.726 1.00 . A A . 17 GLN H 1 1 6 2423 1 1 17 GLN HA H -7.817 1.473 -2.462 1.00 . A A . 17 GLN HA 1 1 6 2424 1 1 17 GLN HB2 H -6.996 -0.689 -4.287 1.00 . A A . 17 GLN HB2 1 1 6 2425 1 1 17 GLN HB3 H -8.516 -0.893 -3.439 1.00 . A A . 17 GLN HB3 1 1 6 2426 1 1 17 GLN HE21 H -9.176 3.046 -4.192 1.00 . A A . 17 GLN HE21 1 1 6 2427 1 1 17 GLN HE22 H -10.843 2.809 -3.801 1.00 . A A . 17 GLN HE22 1 1 6 2428 1 1 17 GLN HG2 H -7.864 1.578 -5.010 1.00 . A A . 17 GLN HG2 1 1 6 2429 1 1 17 GLN HG3 H -8.596 0.155 -5.748 1.00 . A A . 17 GLN HG3 1 1 6 2430 1 1 17 GLN N N -5.860 1.025 -2.913 1.00 . A A . 17 GLN N 1 1 6 2431 1 1 17 GLN NE2 N -9.969 2.477 -4.095 1.00 . A A . 17 GLN NE2 1 1 6 2432 1 1 17 GLN O O -6.251 -0.786 -0.907 1.00 . A A . 17 GLN O 1 1 6 2433 1 1 17 GLN OE1 O -10.794 0.397 -4.285 1.00 . A A . 17 GLN OE1 1 1 6 2434 1 1 18 PRO C C -8.544 -2.736 0.201 1.00 . A A . 18 PRO C 1 1 6 2435 1 1 18 PRO CA C -8.658 -1.232 0.451 1.00 . A A . 18 PRO CA 1 1 6 2436 1 1 18 PRO CB C -10.079 -0.878 0.891 1.00 . A A . 18 PRO CB 1 1 6 2437 1 1 18 PRO CD C -9.742 0.154 -1.238 1.00 . A A . 18 PRO CD 1 1 6 2438 1 1 18 PRO CG C -10.779 -0.499 -0.367 1.00 . A A . 18 PRO CG 1 1 6 2439 1 1 18 PRO HA H -7.959 -0.944 1.221 1.00 . A A . 18 PRO HA 1 1 6 2440 1 1 18 PRO HB2 H -10.539 -1.737 1.358 1.00 . A A . 18 PRO HB2 1 1 6 2441 1 1 18 PRO HB3 H -10.049 -0.055 1.588 1.00 . A A . 18 PRO HB3 1 1 6 2442 1 1 18 PRO HD2 H -9.916 -0.088 -2.275 1.00 . A A . 18 PRO HD2 1 1 6 2443 1 1 18 PRO HD3 H -9.748 1.225 -1.093 1.00 . A A . 18 PRO HD3 1 1 6 2444 1 1 18 PRO HG2 H -11.171 -1.383 -0.849 1.00 . A A . 18 PRO HG2 1 1 6 2445 1 1 18 PRO HG3 H -11.577 0.195 -0.149 1.00 . A A . 18 PRO HG3 1 1 6 2446 1 1 18 PRO N N -8.473 -0.433 -0.767 1.00 . A A . 18 PRO N 1 1 6 2447 1 1 18 PRO O O -8.527 -3.527 1.144 1.00 . A A . 18 PRO O 1 1 6 2448 1 1 19 GLY C C -6.983 -4.886 -1.958 1.00 . A A . 19 GLY C 1 1 6 2449 1 1 19 GLY CA C -8.349 -4.534 -1.402 1.00 . A A . 19 GLY CA 1 1 6 2450 1 1 19 GLY H H -8.476 -2.456 -1.782 1.00 . A A . 19 GLY H 1 1 6 2451 1 1 19 GLY HA2 H -8.525 -5.121 -0.512 1.00 . A A . 19 GLY HA2 1 1 6 2452 1 1 19 GLY HA3 H -9.099 -4.780 -2.138 1.00 . A A . 19 GLY HA3 1 1 6 2453 1 1 19 GLY N N -8.463 -3.126 -1.067 1.00 . A A . 19 GLY N 1 1 6 2454 1 1 19 GLY O O -6.629 -6.060 -2.062 1.00 . A A . 19 GLY O 1 1 6 2455 1 1 20 THR C C -3.830 -3.986 -1.772 1.00 . A A . 20 THR C 1 1 6 2456 1 1 20 THR CA C -4.883 -4.053 -2.865 1.00 . A A . 20 THR CA 1 1 6 2457 1 1 20 THR CB C -4.598 -2.984 -3.914 1.00 . A A . 20 THR CB 1 1 6 2458 1 1 20 THR CG2 C -5.117 -3.338 -5.284 1.00 . A A . 20 THR CG2 1 1 6 2459 1 1 20 THR H H -6.558 -2.951 -2.208 1.00 . A A . 20 THR H 1 1 6 2460 1 1 20 THR HA H -4.841 -5.025 -3.334 1.00 . A A . 20 THR HA 1 1 6 2461 1 1 20 THR HB H -3.530 -2.847 -3.987 1.00 . A A . 20 THR HB 1 1 6 2462 1 1 20 THR HG1 H -4.696 -1.370 -2.807 1.00 . A A . 20 THR HG1 1 1 6 2463 1 1 20 THR HG21 H -4.403 -3.023 -6.029 1.00 . A A . 20 THR HG21 1 1 6 2464 1 1 20 THR HG22 H -6.059 -2.837 -5.450 1.00 . A A . 20 THR HG22 1 1 6 2465 1 1 20 THR HG23 H -5.258 -4.406 -5.348 1.00 . A A . 20 THR HG23 1 1 6 2466 1 1 20 THR N N -6.217 -3.863 -2.316 1.00 . A A . 20 THR N 1 1 6 2467 1 1 20 THR O O -2.929 -3.153 -1.821 1.00 . A A . 20 THR O 1 1 6 2468 1 1 20 THR OG1 O -5.186 -1.750 -3.541 1.00 . A A . 20 THR OG1 1 1 6 2469 1 1 21 GLY C C -1.551 -4.752 -0.197 1.00 . A A . 21 GLY C 1 1 6 2470 1 1 21 GLY CA C -2.975 -4.884 0.299 1.00 . A A . 21 GLY CA 1 1 6 2471 1 1 21 GLY H H -4.675 -5.517 -0.795 1.00 . A A . 21 GLY H 1 1 6 2472 1 1 21 GLY HA2 H -3.189 -4.064 0.968 1.00 . A A . 21 GLY HA2 1 1 6 2473 1 1 21 GLY HA3 H -3.068 -5.807 0.841 1.00 . A A . 21 GLY HA3 1 1 6 2474 1 1 21 GLY N N -3.939 -4.870 -0.785 1.00 . A A . 21 GLY N 1 1 6 2475 1 1 21 GLY O O -0.697 -4.185 0.483 1.00 . A A . 21 GLY O 1 1 6 2476 1 1 22 HIS C C 0.303 -3.728 -2.403 1.00 . A A . 22 HIS C 1 1 6 2477 1 1 22 HIS CA C 0.029 -5.172 -1.985 1.00 . A A . 22 HIS CA 1 1 6 2478 1 1 22 HIS CB C 0.159 -6.134 -3.170 1.00 . A A . 22 HIS CB 1 1 6 2479 1 1 22 HIS CD2 C 1.276 -8.470 -3.019 1.00 . A A . 22 HIS CD2 1 1 6 2480 1 1 22 HIS CE1 C -0.245 -9.475 -1.802 1.00 . A A . 22 HIS CE1 1 1 6 2481 1 1 22 HIS CG C 0.299 -7.568 -2.763 1.00 . A A . 22 HIS CG 1 1 6 2482 1 1 22 HIS H H -2.021 -5.685 -1.905 1.00 . A A . 22 HIS H 1 1 6 2483 1 1 22 HIS HA H 0.738 -5.450 -1.221 1.00 . A A . 22 HIS HA 1 1 6 2484 1 1 22 HIS HB2 H -0.719 -6.050 -3.791 1.00 . A A . 22 HIS HB2 1 1 6 2485 1 1 22 HIS HB3 H 1.032 -5.865 -3.748 1.00 . A A . 22 HIS HB3 1 1 6 2486 1 1 22 HIS HD1 H -1.471 -7.843 -1.653 1.00 . A A . 22 HIS HD1 1 1 6 2487 1 1 22 HIS HD2 H 2.175 -8.296 -3.595 1.00 . A A . 22 HIS HD2 1 1 6 2488 1 1 22 HIS HE1 H -0.781 -10.226 -1.240 1.00 . A A . 22 HIS HE1 1 1 6 2489 1 1 22 HIS HE2 H 1.385 -10.502 -2.498 1.00 . A A . 22 HIS HE2 1 1 6 2490 1 1 22 HIS N N -1.298 -5.259 -1.398 1.00 . A A . 22 HIS N 1 1 6 2491 1 1 22 HIS ND1 N -0.639 -8.230 -2.000 1.00 . A A . 22 HIS ND1 1 1 6 2492 1 1 22 HIS NE2 N 0.913 -9.647 -2.411 1.00 . A A . 22 HIS NE2 1 1 6 2493 1 1 22 HIS O O 0.441 -2.861 -1.550 1.00 . A A . 22 HIS O 1 1 6 2494 1 1 23 CYS C C 0.754 -2.067 -5.699 1.00 . A A . 23 CYS C 1 1 6 2495 1 1 23 CYS CA C 0.598 -2.102 -4.185 1.00 . A A . 23 CYS CA 1 1 6 2496 1 1 23 CYS CB C 1.833 -1.493 -3.526 1.00 . A A . 23 CYS CB 1 1 6 2497 1 1 23 CYS H H 0.242 -4.171 -4.352 1.00 . A A . 23 CYS H 1 1 6 2498 1 1 23 CYS HA H -0.263 -1.511 -3.915 1.00 . A A . 23 CYS HA 1 1 6 2499 1 1 23 CYS HB2 H 2.172 -2.139 -2.737 1.00 . A A . 23 CYS HB2 1 1 6 2500 1 1 23 CYS HB3 H 2.612 -1.404 -4.259 1.00 . A A . 23 CYS HB3 1 1 6 2501 1 1 23 CYS N N 0.365 -3.457 -3.705 1.00 . A A . 23 CYS N 1 1 6 2502 1 1 23 CYS O O 1.180 -3.044 -6.316 1.00 . A A . 23 CYS O 1 1 6 2503 1 1 23 CYS SG S 1.550 0.148 -2.823 1.00 . A A . 23 CYS SG 1 1 6 2504 1 1 24 GLU C C 1.722 0.165 -8.041 1.00 . A A . 24 GLU C 1 1 6 2505 1 1 24 GLU CA C 0.535 -0.739 -7.723 1.00 . A A . 24 GLU CA 1 1 6 2506 1 1 24 GLU CB C -0.754 -0.139 -8.288 1.00 . A A . 24 GLU CB 1 1 6 2507 1 1 24 GLU CD C -0.949 -1.438 -10.445 1.00 . A A . 24 GLU CD 1 1 6 2508 1 1 24 GLU CG C -1.577 -1.124 -9.102 1.00 . A A . 24 GLU CG 1 1 6 2509 1 1 24 GLU H H 0.102 -0.181 -5.734 1.00 . A A . 24 GLU H 1 1 6 2510 1 1 24 GLU HA H 0.702 -1.707 -8.172 1.00 . A A . 24 GLU HA 1 1 6 2511 1 1 24 GLU HB2 H -1.361 0.215 -7.468 1.00 . A A . 24 GLU HB2 1 1 6 2512 1 1 24 GLU HB3 H -0.503 0.698 -8.924 1.00 . A A . 24 GLU HB3 1 1 6 2513 1 1 24 GLU HG2 H -1.673 -2.042 -8.542 1.00 . A A . 24 GLU HG2 1 1 6 2514 1 1 24 GLU HG3 H -2.557 -0.702 -9.269 1.00 . A A . 24 GLU HG3 1 1 6 2515 1 1 24 GLU N N 0.421 -0.925 -6.286 1.00 . A A . 24 GLU N 1 1 6 2516 1 1 24 GLU O O 1.759 0.816 -9.084 1.00 . A A . 24 GLU O 1 1 6 2517 1 1 24 GLU OE1 O 0.074 -2.155 -10.468 1.00 . A A . 24 GLU OE1 1 1 6 2518 1 1 24 GLU OE2 O -1.481 -0.970 -11.473 1.00 . A A . 24 GLU OE2 1 1 6 2519 1 1 25 MET C C 5.122 0.188 -6.996 1.00 . A A . 25 MET C 1 1 6 2520 1 1 25 MET CA C 3.881 1.011 -7.304 1.00 . A A . 25 MET CA 1 1 6 2521 1 1 25 MET CB C 3.822 2.243 -6.398 1.00 . A A . 25 MET CB 1 1 6 2522 1 1 25 MET CE C 2.685 5.734 -8.385 1.00 . A A . 25 MET CE 1 1 6 2523 1 1 25 MET CG C 3.883 3.558 -7.158 1.00 . A A . 25 MET CG 1 1 6 2524 1 1 25 MET H H 2.608 -0.350 -6.317 1.00 . A A . 25 MET H 1 1 6 2525 1 1 25 MET HA H 3.918 1.329 -8.334 1.00 . A A . 25 MET HA 1 1 6 2526 1 1 25 MET HB2 H 2.900 2.218 -5.837 1.00 . A A . 25 MET HB2 1 1 6 2527 1 1 25 MET HB3 H 4.653 2.210 -5.711 1.00 . A A . 25 MET HB3 1 1 6 2528 1 1 25 MET HE1 H 2.271 6.589 -7.871 1.00 . A A . 25 MET HE1 1 1 6 2529 1 1 25 MET HE2 H 2.284 5.689 -9.387 1.00 . A A . 25 MET HE2 1 1 6 2530 1 1 25 MET HE3 H 3.759 5.826 -8.429 1.00 . A A . 25 MET HE3 1 1 6 2531 1 1 25 MET HG2 H 4.438 4.272 -6.568 1.00 . A A . 25 MET HG2 1 1 6 2532 1 1 25 MET HG3 H 4.393 3.393 -8.095 1.00 . A A . 25 MET HG3 1 1 6 2533 1 1 25 MET N N 2.691 0.195 -7.129 1.00 . A A . 25 MET N 1 1 6 2534 1 1 25 MET O O 5.976 -0.007 -7.861 1.00 . A A . 25 MET O 1 1 6 2535 1 1 25 MET SD S 2.249 4.239 -7.500 1.00 . A A . 25 MET SD 1 1 6 2536 1 1 26 CYS C C 6.150 -2.567 -5.757 1.00 . A A . 26 CYS C 1 1 6 2537 1 1 26 CYS CA C 6.352 -1.106 -5.364 1.00 . A A . 26 CYS CA 1 1 6 2538 1 1 26 CYS CB C 6.578 -0.995 -3.860 1.00 . A A . 26 CYS CB 1 1 6 2539 1 1 26 CYS H H 4.509 -0.120 -5.106 1.00 . A A . 26 CYS H 1 1 6 2540 1 1 26 CYS HA H 7.223 -0.726 -5.877 1.00 . A A . 26 CYS HA 1 1 6 2541 1 1 26 CYS HB2 H 7.226 -1.787 -3.559 1.00 . A A . 26 CYS HB2 1 1 6 2542 1 1 26 CYS HB3 H 7.044 -0.048 -3.639 1.00 . A A . 26 CYS HB3 1 1 6 2543 1 1 26 CYS N N 5.218 -0.301 -5.762 1.00 . A A . 26 CYS N 1 1 6 2544 1 1 26 CYS O O 7.041 -3.187 -6.336 1.00 . A A . 26 CYS O 1 1 6 2545 1 1 26 CYS SG S 5.083 -1.124 -2.854 1.00 . A A . 26 CYS SG 1 1 6 2546 1 1 27 SER C C 4.949 -5.346 -4.470 1.00 . A A . 27 SER C 1 1 6 2547 1 1 27 SER CA C 4.636 -4.510 -5.694 1.00 . A A . 27 SER CA 1 1 6 2548 1 1 27 SER CB C 5.388 -5.049 -6.910 1.00 . A A . 27 SER CB 1 1 6 2549 1 1 27 SER H H 4.327 -2.564 -4.926 1.00 . A A . 27 SER H 1 1 6 2550 1 1 27 SER HA H 3.576 -4.558 -5.885 1.00 . A A . 27 SER HA 1 1 6 2551 1 1 27 SER HB2 H 5.409 -4.292 -7.678 1.00 . A A . 27 SER HB2 1 1 6 2552 1 1 27 SER HB3 H 6.396 -5.300 -6.621 1.00 . A A . 27 SER HB3 1 1 6 2553 1 1 27 SER HG H 4.040 -5.948 -8.012 1.00 . A A . 27 SER HG 1 1 6 2554 1 1 27 SER N N 4.978 -3.112 -5.412 1.00 . A A . 27 SER N 1 1 6 2555 1 1 27 SER O O 5.404 -6.486 -4.564 1.00 . A A . 27 SER O 1 1 6 2556 1 1 27 SER OG O 4.757 -6.207 -7.429 1.00 . A A . 27 SER OG 1 1 6 2557 1 1 28 LEU C C 3.687 -5.455 -1.234 1.00 . A A . 28 LEU C 1 1 6 2558 1 1 28 LEU CA C 4.974 -5.354 -2.042 1.00 . A A . 28 LEU CA 1 1 6 2559 1 1 28 LEU CB C 5.996 -4.503 -1.304 1.00 . A A . 28 LEU CB 1 1 6 2560 1 1 28 LEU CD1 C 8.382 -3.958 -0.766 1.00 . A A . 28 LEU CD1 1 1 6 2561 1 1 28 LEU CD2 C 7.644 -6.345 -0.837 1.00 . A A . 28 LEU CD2 1 1 6 2562 1 1 28 LEU CG C 7.443 -4.957 -1.432 1.00 . A A . 28 LEU CG 1 1 6 2563 1 1 28 LEU H H 4.372 -3.824 -3.329 1.00 . A A . 28 LEU H 1 1 6 2564 1 1 28 LEU HA H 5.378 -6.340 -2.204 1.00 . A A . 28 LEU HA 1 1 6 2565 1 1 28 LEU HB2 H 5.927 -3.501 -1.689 1.00 . A A . 28 LEU HB2 1 1 6 2566 1 1 28 LEU HB3 H 5.730 -4.477 -0.273 1.00 . A A . 28 LEU HB3 1 1 6 2567 1 1 28 LEU HD11 H 8.696 -3.224 -1.494 1.00 . A A . 28 LEU HD11 1 1 6 2568 1 1 28 LEU HD12 H 9.245 -4.475 -0.371 1.00 . A A . 28 LEU HD12 1 1 6 2569 1 1 28 LEU HD13 H 7.856 -3.460 0.039 1.00 . A A . 28 LEU HD13 1 1 6 2570 1 1 28 LEU HD21 H 8.588 -6.747 -1.165 1.00 . A A . 28 LEU HD21 1 1 6 2571 1 1 28 LEU HD22 H 6.840 -6.992 -1.163 1.00 . A A . 28 LEU HD22 1 1 6 2572 1 1 28 LEU HD23 H 7.637 -6.279 0.242 1.00 . A A . 28 LEU HD23 1 1 6 2573 1 1 28 LEU HG H 7.703 -5.004 -2.481 1.00 . A A . 28 LEU HG 1 1 6 2574 1 1 28 LEU N N 4.717 -4.738 -3.319 1.00 . A A . 28 LEU N 1 1 6 2575 1 1 28 LEU O O 2.660 -4.913 -1.630 1.00 . A A . 28 LEU O 1 1 6 2576 1 1 29 PRO C C 2.256 -5.061 1.596 1.00 . A A . 29 PRO C 1 1 6 2577 1 1 29 PRO CA C 2.564 -6.315 0.782 1.00 . A A . 29 PRO CA 1 1 6 2578 1 1 29 PRO CB C 2.978 -7.463 1.700 1.00 . A A . 29 PRO CB 1 1 6 2579 1 1 29 PRO CD C 4.926 -6.809 0.456 1.00 . A A . 29 PRO CD 1 1 6 2580 1 1 29 PRO CG C 4.464 -7.370 1.776 1.00 . A A . 29 PRO CG 1 1 6 2581 1 1 29 PRO HA H 1.688 -6.599 0.216 1.00 . A A . 29 PRO HA 1 1 6 2582 1 1 29 PRO HB2 H 2.522 -7.334 2.671 1.00 . A A . 29 PRO HB2 1 1 6 2583 1 1 29 PRO HB3 H 2.666 -8.403 1.270 1.00 . A A . 29 PRO HB3 1 1 6 2584 1 1 29 PRO HD2 H 5.720 -6.095 0.606 1.00 . A A . 29 PRO HD2 1 1 6 2585 1 1 29 PRO HD3 H 5.253 -7.602 -0.200 1.00 . A A . 29 PRO HD3 1 1 6 2586 1 1 29 PRO HG2 H 4.748 -6.707 2.582 1.00 . A A . 29 PRO HG2 1 1 6 2587 1 1 29 PRO HG3 H 4.885 -8.351 1.934 1.00 . A A . 29 PRO HG3 1 1 6 2588 1 1 29 PRO N N 3.730 -6.145 -0.086 1.00 . A A . 29 PRO N 1 1 6 2589 1 1 29 PRO O O 3.090 -4.161 1.706 1.00 . A A . 29 PRO O 1 1 6 2590 1 1 30 ARG C C 1.372 -3.835 4.304 1.00 . A A . 30 ARG C 1 1 6 2591 1 1 30 ARG CA C 0.637 -3.872 2.974 1.00 . A A . 30 ARG CA 1 1 6 2592 1 1 30 ARG CB C -0.872 -3.927 3.206 1.00 . A A . 30 ARG CB 1 1 6 2593 1 1 30 ARG CD C -2.541 -2.264 4.090 1.00 . A A . 30 ARG CD 1 1 6 2594 1 1 30 ARG CG C -1.578 -2.602 2.962 1.00 . A A . 30 ARG CG 1 1 6 2595 1 1 30 ARG CZ C -4.780 -1.255 4.309 1.00 . A A . 30 ARG CZ 1 1 6 2596 1 1 30 ARG H H 0.437 -5.760 2.049 1.00 . A A . 30 ARG H 1 1 6 2597 1 1 30 ARG HA H 0.878 -2.981 2.430 1.00 . A A . 30 ARG HA 1 1 6 2598 1 1 30 ARG HB2 H -1.296 -4.665 2.541 1.00 . A A . 30 ARG HB2 1 1 6 2599 1 1 30 ARG HB3 H -1.056 -4.230 4.222 1.00 . A A . 30 ARG HB3 1 1 6 2600 1 1 30 ARG HD2 H -2.638 -3.125 4.736 1.00 . A A . 30 ARG HD2 1 1 6 2601 1 1 30 ARG HD3 H -2.139 -1.435 4.654 1.00 . A A . 30 ARG HD3 1 1 6 2602 1 1 30 ARG HE H -4.082 -2.146 2.665 1.00 . A A . 30 ARG HE 1 1 6 2603 1 1 30 ARG HG2 H -0.837 -1.820 2.890 1.00 . A A . 30 ARG HG2 1 1 6 2604 1 1 30 ARG HG3 H -2.129 -2.665 2.036 1.00 . A A . 30 ARG HG3 1 1 6 2605 1 1 30 ARG HH11 H -3.633 -1.123 5.971 1.00 . A A . 30 ARG HH11 1 1 6 2606 1 1 30 ARG HH12 H -5.211 -0.421 6.099 1.00 . A A . 30 ARG HH12 1 1 6 2607 1 1 30 ARG HH21 H -6.158 -1.224 2.832 1.00 . A A . 30 ARG HH21 1 1 6 2608 1 1 30 ARG HH22 H -6.645 -0.478 4.317 1.00 . A A . 30 ARG HH22 1 1 6 2609 1 1 30 ARG N N 1.055 -5.010 2.166 1.00 . A A . 30 ARG N 1 1 6 2610 1 1 30 ARG NE N -3.864 -1.899 3.588 1.00 . A A . 30 ARG NE 1 1 6 2611 1 1 30 ARG NH1 N -4.520 -0.904 5.563 1.00 . A A . 30 ARG NH1 1 1 6 2612 1 1 30 ARG NH2 N -5.957 -0.962 3.776 1.00 . A A . 30 ARG NH2 1 1 6 2613 1 1 30 ARG O O 1.265 -2.871 5.060 1.00 . A A . 30 ARG O 1 1 6 2614 1 1 31 THR C C 4.166 -5.765 5.601 1.00 . A A . 31 THR C 1 1 6 2615 1 1 31 THR CA C 2.865 -4.994 5.819 1.00 . A A . 31 THR CA 1 1 6 2616 1 1 31 THR CB C 2.011 -5.680 6.888 1.00 . A A . 31 THR CB 1 1 6 2617 1 1 31 THR CG2 C 2.784 -6.063 8.134 1.00 . A A . 31 THR CG2 1 1 6 2618 1 1 31 THR H H 2.149 -5.625 3.937 1.00 . A A . 31 THR H 1 1 6 2619 1 1 31 THR HA H 3.100 -3.992 6.143 1.00 . A A . 31 THR HA 1 1 6 2620 1 1 31 THR HB H 1.589 -6.582 6.467 1.00 . A A . 31 THR HB 1 1 6 2621 1 1 31 THR HG1 H 0.131 -5.346 7.326 1.00 . A A . 31 THR HG1 1 1 6 2622 1 1 31 THR HG21 H 2.113 -6.514 8.849 1.00 . A A . 31 THR HG21 1 1 6 2623 1 1 31 THR HG22 H 3.230 -5.179 8.567 1.00 . A A . 31 THR HG22 1 1 6 2624 1 1 31 THR HG23 H 3.560 -6.767 7.873 1.00 . A A . 31 THR HG23 1 1 6 2625 1 1 31 THR N N 2.113 -4.893 4.580 1.00 . A A . 31 THR N 1 1 6 2626 1 1 31 THR O O 4.163 -6.860 5.041 1.00 . A A . 31 THR O 1 1 6 2627 1 1 31 THR OG1 O 0.945 -4.838 7.290 1.00 . A A . 31 THR OG1 1 1 6 2628 2 2 1 ZN ZN ZN 3.838 0.759 -2.406 1.00 . B A . 32 ZN ZN 1 1 7 2629 1 1 1 GLY C C -17.589 4.782 -4.732 1.00 . A A . 1 GLY C 1 1 7 2630 1 1 1 GLY CA C -17.460 4.969 -6.231 1.00 . A A . 1 GLY CA 1 1 7 2631 1 1 1 GLY H1 H -17.340 6.504 -7.644 1.00 . A A . 1 GLY H1 1 1 7 2632 1 1 1 GLY H2 H -16.325 6.722 -6.308 1.00 . A A . 1 GLY H2 1 1 7 2633 1 1 1 GLY H3 H -17.988 6.989 -6.158 1.00 . A A . 1 GLY H3 1 1 7 2634 1 1 1 GLY HA2 H -18.355 4.600 -6.708 1.00 . A A . 1 GLY HA2 1 1 7 2635 1 1 1 GLY HA3 H -16.615 4.396 -6.583 1.00 . A A . 1 GLY HA3 1 1 7 2636 1 1 1 GLY N N -17.265 6.396 -6.612 1.00 . A A . 1 GLY N 1 1 7 2637 1 1 1 GLY O O -18.403 3.983 -4.268 1.00 . A A . 1 GLY O 1 1 7 2638 1 1 2 SER C C -16.469 4.019 -2.054 1.00 . A A . 2 SER C 1 1 7 2639 1 1 2 SER CA C -16.812 5.431 -2.519 1.00 . A A . 2 SER CA 1 1 7 2640 1 1 2 SER CB C -18.189 5.835 -1.989 1.00 . A A . 2 SER CB 1 1 7 2641 1 1 2 SER H H -16.157 6.138 -4.404 1.00 . A A . 2 SER H 1 1 7 2642 1 1 2 SER HA H -16.072 6.114 -2.131 1.00 . A A . 2 SER HA 1 1 7 2643 1 1 2 SER HB2 H -18.685 6.456 -2.720 1.00 . A A . 2 SER HB2 1 1 7 2644 1 1 2 SER HB3 H -18.778 4.948 -1.810 1.00 . A A . 2 SER HB3 1 1 7 2645 1 1 2 SER HG H -17.440 6.126 -0.202 1.00 . A A . 2 SER HG 1 1 7 2646 1 1 2 SER N N -16.784 5.519 -3.975 1.00 . A A . 2 SER N 1 1 7 2647 1 1 2 SER O O -17.345 3.161 -1.946 1.00 . A A . 2 SER O 1 1 7 2648 1 1 2 SER OG O -18.075 6.560 -0.777 1.00 . A A . 2 SER OG 1 1 7 2649 1 1 3 THR C C -14.739 2.399 0.200 1.00 . A A . 3 THR C 1 1 7 2650 1 1 3 THR CA C -14.732 2.479 -1.323 1.00 . A A . 3 THR CA 1 1 7 2651 1 1 3 THR CB C -13.326 2.195 -1.857 1.00 . A A . 3 THR CB 1 1 7 2652 1 1 3 THR CG2 C -12.272 3.124 -1.295 1.00 . A A . 3 THR CG2 1 1 7 2653 1 1 3 THR H H -14.539 4.511 -1.882 1.00 . A A . 3 THR H 1 1 7 2654 1 1 3 THR HA H -15.413 1.736 -1.714 1.00 . A A . 3 THR HA 1 1 7 2655 1 1 3 THR HB H -13.330 2.310 -2.930 1.00 . A A . 3 THR HB 1 1 7 2656 1 1 3 THR HG1 H -13.521 0.251 -1.995 1.00 . A A . 3 THR HG1 1 1 7 2657 1 1 3 THR HG21 H -12.372 3.175 -0.221 1.00 . A A . 3 THR HG21 1 1 7 2658 1 1 3 THR HG22 H -12.401 4.111 -1.716 1.00 . A A . 3 THR HG22 1 1 7 2659 1 1 3 THR HG23 H -11.291 2.751 -1.547 1.00 . A A . 3 THR HG23 1 1 7 2660 1 1 3 THR N N -15.190 3.786 -1.778 1.00 . A A . 3 THR N 1 1 7 2661 1 1 3 THR O O -15.295 3.267 0.874 1.00 . A A . 3 THR O 1 1 7 2662 1 1 3 THR OG1 O -12.934 0.867 -1.553 1.00 . A A . 3 THR OG1 1 1 7 2663 1 1 4 SER C C -13.054 2.130 2.812 1.00 . A A . 4 SER C 1 1 7 2664 1 1 4 SER CA C -14.054 1.165 2.182 1.00 . A A . 4 SER CA 1 1 7 2665 1 1 4 SER CB C -13.669 -0.280 2.511 1.00 . A A . 4 SER CB 1 1 7 2666 1 1 4 SER H H -13.693 0.696 0.149 1.00 . A A . 4 SER H 1 1 7 2667 1 1 4 SER HA H -15.034 1.367 2.586 1.00 . A A . 4 SER HA 1 1 7 2668 1 1 4 SER HB2 H -13.090 -0.690 1.698 1.00 . A A . 4 SER HB2 1 1 7 2669 1 1 4 SER HB3 H -13.080 -0.296 3.417 1.00 . A A . 4 SER HB3 1 1 7 2670 1 1 4 SER HG H -15.290 -1.174 1.868 1.00 . A A . 4 SER HG 1 1 7 2671 1 1 4 SER N N -14.119 1.354 0.737 1.00 . A A . 4 SER N 1 1 7 2672 1 1 4 SER O O -13.438 3.159 3.369 1.00 . A A . 4 SER O 1 1 7 2673 1 1 4 SER OG O -14.821 -1.083 2.701 1.00 . A A . 4 SER OG 1 1 7 2674 1 1 5 ALA C C -9.372 2.336 2.638 1.00 . A A . 5 ALA C 1 1 7 2675 1 1 5 ALA CA C -10.720 2.633 3.282 1.00 . A A . 5 ALA CA 1 1 7 2676 1 1 5 ALA CB C -10.635 2.438 4.788 1.00 . A A . 5 ALA CB 1 1 7 2677 1 1 5 ALA H H -11.526 0.961 2.265 1.00 . A A . 5 ALA H 1 1 7 2678 1 1 5 ALA HA H -10.979 3.664 3.092 1.00 . A A . 5 ALA HA 1 1 7 2679 1 1 5 ALA HB1 H -11.297 3.135 5.280 1.00 . A A . 5 ALA HB1 1 1 7 2680 1 1 5 ALA HB2 H -9.620 2.613 5.116 1.00 . A A . 5 ALA HB2 1 1 7 2681 1 1 5 ALA HB3 H -10.924 1.428 5.038 1.00 . A A . 5 ALA HB3 1 1 7 2682 1 1 5 ALA N N -11.771 1.793 2.721 1.00 . A A . 5 ALA N 1 1 7 2683 1 1 5 ALA O O -8.793 1.271 2.850 1.00 . A A . 5 ALA O 1 1 7 2684 1 1 6 MET C C -6.452 3.229 2.193 1.00 . A A . 6 MET C 1 1 7 2685 1 1 6 MET CA C -7.591 3.126 1.191 1.00 . A A . 6 MET CA 1 1 7 2686 1 1 6 MET CB C -7.430 4.194 0.113 1.00 . A A . 6 MET CB 1 1 7 2687 1 1 6 MET CE C -9.066 6.739 -1.060 1.00 . A A . 6 MET CE 1 1 7 2688 1 1 6 MET CG C -8.405 4.048 -1.043 1.00 . A A . 6 MET CG 1 1 7 2689 1 1 6 MET H H -9.373 4.116 1.728 1.00 . A A . 6 MET H 1 1 7 2690 1 1 6 MET HA H -7.570 2.151 0.729 1.00 . A A . 6 MET HA 1 1 7 2691 1 1 6 MET HB2 H -7.580 5.161 0.564 1.00 . A A . 6 MET HB2 1 1 7 2692 1 1 6 MET HB3 H -6.431 4.147 -0.277 1.00 . A A . 6 MET HB3 1 1 7 2693 1 1 6 MET HE1 H -9.736 7.501 -0.691 1.00 . A A . 6 MET HE1 1 1 7 2694 1 1 6 MET HE2 H -8.849 6.924 -2.102 1.00 . A A . 6 MET HE2 1 1 7 2695 1 1 6 MET HE3 H -8.148 6.761 -0.492 1.00 . A A . 6 MET HE3 1 1 7 2696 1 1 6 MET HG2 H -7.890 4.285 -1.963 1.00 . A A . 6 MET HG2 1 1 7 2697 1 1 6 MET HG3 H -8.748 3.024 -1.079 1.00 . A A . 6 MET HG3 1 1 7 2698 1 1 6 MET N N -8.871 3.285 1.858 1.00 . A A . 6 MET N 1 1 7 2699 1 1 6 MET O O -6.670 3.536 3.365 1.00 . A A . 6 MET O 1 1 7 2700 1 1 6 MET SD S -9.838 5.132 -0.887 1.00 . A A . 6 MET SD 1 1 7 2701 1 1 7 TRP C C -2.899 3.751 1.915 1.00 . A A . 7 TRP C 1 1 7 2702 1 1 7 TRP CA C -4.066 3.057 2.599 1.00 . A A . 7 TRP CA 1 1 7 2703 1 1 7 TRP CB C -3.639 1.668 3.088 1.00 . A A . 7 TRP CB 1 1 7 2704 1 1 7 TRP CD1 C -4.274 -0.051 1.278 1.00 . A A . 7 TRP CD1 1 1 7 2705 1 1 7 TRP CD2 C -2.069 0.258 1.528 1.00 . A A . 7 TRP CD2 1 1 7 2706 1 1 7 TRP CE2 C -2.275 -0.708 0.524 1.00 . A A . 7 TRP CE2 1 1 7 2707 1 1 7 TRP CE3 C -0.757 0.617 1.855 1.00 . A A . 7 TRP CE3 1 1 7 2708 1 1 7 TRP CG C -3.360 0.668 1.999 1.00 . A A . 7 TRP CG 1 1 7 2709 1 1 7 TRP CH2 C 0.052 -0.949 0.191 1.00 . A A . 7 TRP CH2 1 1 7 2710 1 1 7 TRP CZ2 C -1.222 -1.320 -0.149 1.00 . A A . 7 TRP CZ2 1 1 7 2711 1 1 7 TRP CZ3 C 0.289 0.011 1.182 1.00 . A A . 7 TRP CZ3 1 1 7 2712 1 1 7 TRP H H -5.120 2.749 0.785 1.00 . A A . 7 TRP H 1 1 7 2713 1 1 7 TRP HA H -4.349 3.648 3.458 1.00 . A A . 7 TRP HA 1 1 7 2714 1 1 7 TRP HB2 H -2.738 1.772 3.673 1.00 . A A . 7 TRP HB2 1 1 7 2715 1 1 7 TRP HB3 H -4.417 1.270 3.717 1.00 . A A . 7 TRP HB3 1 1 7 2716 1 1 7 TRP HD1 H -5.344 0.031 1.400 1.00 . A A . 7 TRP HD1 1 1 7 2717 1 1 7 TRP HE1 H -4.063 -1.498 -0.245 1.00 . A A . 7 TRP HE1 1 1 7 2718 1 1 7 TRP HE3 H -0.554 1.356 2.616 1.00 . A A . 7 TRP HE3 1 1 7 2719 1 1 7 TRP HH2 H 0.902 -1.396 -0.313 1.00 . A A . 7 TRP HH2 1 1 7 2720 1 1 7 TRP HZ2 H -1.391 -2.069 -0.908 1.00 . A A . 7 TRP HZ2 1 1 7 2721 1 1 7 TRP HZ3 H 1.307 0.275 1.422 1.00 . A A . 7 TRP HZ3 1 1 7 2722 1 1 7 TRP N N -5.234 2.979 1.730 1.00 . A A . 7 TRP N 1 1 7 2723 1 1 7 TRP NE1 N -3.627 -0.882 0.388 1.00 . A A . 7 TRP NE1 1 1 7 2724 1 1 7 TRP O O -2.847 3.857 0.690 1.00 . A A . 7 TRP O 1 1 7 2725 1 1 8 ALA C C 0.466 4.051 2.455 1.00 . A A . 8 ALA C 1 1 7 2726 1 1 8 ALA CA C -0.777 4.904 2.233 1.00 . A A . 8 ALA CA 1 1 7 2727 1 1 8 ALA CB C -0.623 6.256 2.913 1.00 . A A . 8 ALA CB 1 1 7 2728 1 1 8 ALA H H -2.072 4.089 3.696 1.00 . A A . 8 ALA H 1 1 7 2729 1 1 8 ALA HA H -0.906 5.070 1.172 1.00 . A A . 8 ALA HA 1 1 7 2730 1 1 8 ALA HB1 H -1.539 6.818 2.808 1.00 . A A . 8 ALA HB1 1 1 7 2731 1 1 8 ALA HB2 H 0.188 6.800 2.452 1.00 . A A . 8 ALA HB2 1 1 7 2732 1 1 8 ALA HB3 H -0.408 6.109 3.961 1.00 . A A . 8 ALA HB3 1 1 7 2733 1 1 8 ALA N N -1.962 4.217 2.730 1.00 . A A . 8 ALA N 1 1 7 2734 1 1 8 ALA O O 0.824 3.743 3.591 1.00 . A A . 8 ALA O 1 1 7 2735 1 1 9 CYS C C 3.461 3.580 2.085 1.00 . A A . 9 CYS C 1 1 7 2736 1 1 9 CYS CA C 2.305 2.835 1.437 1.00 . A A . 9 CYS CA 1 1 7 2737 1 1 9 CYS CB C 2.706 2.371 0.041 1.00 . A A . 9 CYS CB 1 1 7 2738 1 1 9 CYS H H 0.776 3.937 0.486 1.00 . A A . 9 CYS H 1 1 7 2739 1 1 9 CYS HA H 2.069 1.971 2.036 1.00 . A A . 9 CYS HA 1 1 7 2740 1 1 9 CYS HB2 H 1.821 2.056 -0.496 1.00 . A A . 9 CYS HB2 1 1 7 2741 1 1 9 CYS HB3 H 3.165 3.195 -0.486 1.00 . A A . 9 CYS HB3 1 1 7 2742 1 1 9 CYS N N 1.111 3.662 1.364 1.00 . A A . 9 CYS N 1 1 7 2743 1 1 9 CYS O O 3.449 4.808 2.182 1.00 . A A . 9 CYS O 1 1 7 2744 1 1 9 CYS SG S 3.875 0.989 0.029 1.00 . A A . 9 CYS SG 1 1 7 2745 1 1 10 GLN C C 6.901 3.079 2.362 1.00 . A A . 10 GLN C 1 1 7 2746 1 1 10 GLN CA C 5.637 3.415 3.151 1.00 . A A . 10 GLN CA 1 1 7 2747 1 1 10 GLN CB C 5.774 2.924 4.594 1.00 . A A . 10 GLN CB 1 1 7 2748 1 1 10 GLN CD C 3.960 1.406 5.482 1.00 . A A . 10 GLN CD 1 1 7 2749 1 1 10 GLN CG C 4.451 2.834 5.337 1.00 . A A . 10 GLN CG 1 1 7 2750 1 1 10 GLN H H 4.421 1.857 2.411 1.00 . A A . 10 GLN H 1 1 7 2751 1 1 10 GLN HA H 5.502 4.487 3.154 1.00 . A A . 10 GLN HA 1 1 7 2752 1 1 10 GLN HB2 H 6.225 1.942 4.585 1.00 . A A . 10 GLN HB2 1 1 7 2753 1 1 10 GLN HB3 H 6.420 3.601 5.133 1.00 . A A . 10 GLN HB3 1 1 7 2754 1 1 10 GLN HE21 H 2.968 1.546 3.765 1.00 . A A . 10 GLN HE21 1 1 7 2755 1 1 10 GLN HE22 H 2.849 0.027 4.578 1.00 . A A . 10 GLN HE22 1 1 7 2756 1 1 10 GLN HG2 H 4.576 3.257 6.323 1.00 . A A . 10 GLN HG2 1 1 7 2757 1 1 10 GLN HG3 H 3.709 3.402 4.795 1.00 . A A . 10 GLN HG3 1 1 7 2758 1 1 10 GLN N N 4.466 2.829 2.521 1.00 . A A . 10 GLN N 1 1 7 2759 1 1 10 GLN NE2 N 3.180 0.947 4.510 1.00 . A A . 10 GLN NE2 1 1 7 2760 1 1 10 GLN O O 7.979 2.922 2.936 1.00 . A A . 10 GLN O 1 1 7 2761 1 1 10 GLN OE1 O 4.277 0.725 6.457 1.00 . A A . 10 GLN OE1 1 1 7 2762 1 1 11 HIS C C 7.821 3.556 -1.065 1.00 . A A . 11 HIS C 1 1 7 2763 1 1 11 HIS CA C 7.889 2.675 0.170 1.00 . A A . 11 HIS CA 1 1 7 2764 1 1 11 HIS CB C 7.876 1.199 -0.231 1.00 . A A . 11 HIS CB 1 1 7 2765 1 1 11 HIS CD2 C 10.232 0.131 -0.219 1.00 . A A . 11 HIS CD2 1 1 7 2766 1 1 11 HIS CE1 C 10.685 0.336 -2.355 1.00 . A A . 11 HIS CE1 1 1 7 2767 1 1 11 HIS CG C 9.165 0.726 -0.808 1.00 . A A . 11 HIS CG 1 1 7 2768 1 1 11 HIS H H 5.878 3.126 0.637 1.00 . A A . 11 HIS H 1 1 7 2769 1 1 11 HIS HA H 8.800 2.891 0.709 1.00 . A A . 11 HIS HA 1 1 7 2770 1 1 11 HIS HB2 H 7.659 0.598 0.639 1.00 . A A . 11 HIS HB2 1 1 7 2771 1 1 11 HIS HB3 H 7.105 1.041 -0.972 1.00 . A A . 11 HIS HB3 1 1 7 2772 1 1 11 HIS HD1 H 8.918 1.227 -2.836 1.00 . A A . 11 HIS HD1 1 1 7 2773 1 1 11 HIS HD2 H 10.332 -0.115 0.829 1.00 . A A . 11 HIS HD2 1 1 7 2774 1 1 11 HIS HE1 H 11.194 0.289 -3.306 1.00 . A A . 11 HIS HE1 1 1 7 2775 1 1 11 HIS HE2 H 12.070 -0.440 -1.058 1.00 . A A . 11 HIS HE2 1 1 7 2776 1 1 11 HIS N N 6.762 2.980 1.042 1.00 . A A . 11 HIS N 1 1 7 2777 1 1 11 HIS ND1 N 9.491 0.837 -2.144 1.00 . A A . 11 HIS ND1 1 1 7 2778 1 1 11 HIS NE2 N 11.162 -0.100 -1.203 1.00 . A A . 11 HIS NE2 1 1 7 2779 1 1 11 HIS O O 8.718 4.358 -1.324 1.00 . A A . 11 HIS O 1 1 7 2780 1 1 12 CYS C C 5.877 5.551 -2.583 1.00 . A A . 12 CYS C 1 1 7 2781 1 1 12 CYS CA C 6.503 4.222 -2.985 1.00 . A A . 12 CYS CA 1 1 7 2782 1 1 12 CYS CB C 5.586 3.478 -3.944 1.00 . A A . 12 CYS CB 1 1 7 2783 1 1 12 CYS H H 6.039 2.788 -1.530 1.00 . A A . 12 CYS H 1 1 7 2784 1 1 12 CYS HA H 7.452 4.404 -3.460 1.00 . A A . 12 CYS HA 1 1 7 2785 1 1 12 CYS HB2 H 5.308 4.147 -4.725 1.00 . A A . 12 CYS HB2 1 1 7 2786 1 1 12 CYS HB3 H 6.116 2.637 -4.364 1.00 . A A . 12 CYS HB3 1 1 7 2787 1 1 12 CYS N N 6.728 3.424 -1.803 1.00 . A A . 12 CYS N 1 1 7 2788 1 1 12 CYS O O 6.061 6.572 -3.246 1.00 . A A . 12 CYS O 1 1 7 2789 1 1 12 CYS SG S 4.060 2.859 -3.203 1.00 . A A . 12 CYS SG 1 1 7 2790 1 1 13 THR C C 3.282 7.099 -1.755 1.00 . A A . 13 THR C 1 1 7 2791 1 1 13 THR CA C 4.494 6.696 -0.924 1.00 . A A . 13 THR CA 1 1 7 2792 1 1 13 THR CB C 5.479 7.859 -0.811 1.00 . A A . 13 THR CB 1 1 7 2793 1 1 13 THR CG2 C 6.906 7.426 -0.543 1.00 . A A . 13 THR CG2 1 1 7 2794 1 1 13 THR H H 5.058 4.675 -0.991 1.00 . A A . 13 THR H 1 1 7 2795 1 1 13 THR HA H 4.151 6.439 0.067 1.00 . A A . 13 THR HA 1 1 7 2796 1 1 13 THR HB H 5.169 8.480 0.009 1.00 . A A . 13 THR HB 1 1 7 2797 1 1 13 THR HG1 H 5.514 9.574 -1.756 1.00 . A A . 13 THR HG1 1 1 7 2798 1 1 13 THR HG21 H 6.903 6.517 0.041 1.00 . A A . 13 THR HG21 1 1 7 2799 1 1 13 THR HG22 H 7.421 8.202 0.003 1.00 . A A . 13 THR HG22 1 1 7 2800 1 1 13 THR HG23 H 7.411 7.249 -1.481 1.00 . A A . 13 THR HG23 1 1 7 2801 1 1 13 THR N N 5.148 5.519 -1.470 1.00 . A A . 13 THR N 1 1 7 2802 1 1 13 THR O O 3.050 8.281 -2.006 1.00 . A A . 13 THR O 1 1 7 2803 1 1 13 THR OG1 O 5.483 8.644 -1.990 1.00 . A A . 13 THR OG1 1 1 7 2804 1 1 14 PHE C C 0.083 5.797 -2.234 1.00 . A A . 14 PHE C 1 1 7 2805 1 1 14 PHE CA C 1.307 6.347 -2.949 1.00 . A A . 14 PHE CA 1 1 7 2806 1 1 14 PHE CB C 1.437 5.698 -4.326 1.00 . A A . 14 PHE CB 1 1 7 2807 1 1 14 PHE CD1 C 0.027 7.295 -5.652 1.00 . A A . 14 PHE CD1 1 1 7 2808 1 1 14 PHE CD2 C -0.528 4.976 -5.709 1.00 . A A . 14 PHE CD2 1 1 7 2809 1 1 14 PHE CE1 C -1.028 7.572 -6.500 1.00 . A A . 14 PHE CE1 1 1 7 2810 1 1 14 PHE CE2 C -1.584 5.247 -6.558 1.00 . A A . 14 PHE CE2 1 1 7 2811 1 1 14 PHE CG C 0.289 5.996 -5.247 1.00 . A A . 14 PHE CG 1 1 7 2812 1 1 14 PHE CZ C -1.834 6.546 -6.954 1.00 . A A . 14 PHE CZ 1 1 7 2813 1 1 14 PHE H H 2.736 5.187 -1.924 1.00 . A A . 14 PHE H 1 1 7 2814 1 1 14 PHE HA H 1.194 7.411 -3.070 1.00 . A A . 14 PHE HA 1 1 7 2815 1 1 14 PHE HB2 H 2.335 6.056 -4.793 1.00 . A A . 14 PHE HB2 1 1 7 2816 1 1 14 PHE HB3 H 1.500 4.629 -4.205 1.00 . A A . 14 PHE HB3 1 1 7 2817 1 1 14 PHE HD1 H 0.658 8.097 -5.298 1.00 . A A . 14 PHE HD1 1 1 7 2818 1 1 14 PHE HD2 H -0.333 3.960 -5.400 1.00 . A A . 14 PHE HD2 1 1 7 2819 1 1 14 PHE HE1 H -1.222 8.588 -6.809 1.00 . A A . 14 PHE HE1 1 1 7 2820 1 1 14 PHE HE2 H -2.213 4.443 -6.912 1.00 . A A . 14 PHE HE2 1 1 7 2821 1 1 14 PHE HZ H -2.660 6.760 -7.618 1.00 . A A . 14 PHE HZ 1 1 7 2822 1 1 14 PHE N N 2.503 6.105 -2.163 1.00 . A A . 14 PHE N 1 1 7 2823 1 1 14 PHE O O 0.197 5.013 -1.292 1.00 . A A . 14 PHE O 1 1 7 2824 1 1 15 MET C C -2.749 4.435 -2.750 1.00 . A A . 15 MET C 1 1 7 2825 1 1 15 MET CA C -2.340 5.749 -2.118 1.00 . A A . 15 MET CA 1 1 7 2826 1 1 15 MET CB C -3.437 6.797 -2.308 1.00 . A A . 15 MET CB 1 1 7 2827 1 1 15 MET CE C -6.550 5.795 -3.490 1.00 . A A . 15 MET CE 1 1 7 2828 1 1 15 MET CG C -4.711 6.491 -1.538 1.00 . A A . 15 MET CG 1 1 7 2829 1 1 15 MET H H -1.100 6.822 -3.454 1.00 . A A . 15 MET H 1 1 7 2830 1 1 15 MET HA H -2.181 5.582 -1.060 1.00 . A A . 15 MET HA 1 1 7 2831 1 1 15 MET HB2 H -3.065 7.756 -1.979 1.00 . A A . 15 MET HB2 1 1 7 2832 1 1 15 MET HB3 H -3.683 6.857 -3.358 1.00 . A A . 15 MET HB3 1 1 7 2833 1 1 15 MET HE1 H -6.297 4.851 -3.031 1.00 . A A . 15 MET HE1 1 1 7 2834 1 1 15 MET HE2 H -5.970 5.922 -4.393 1.00 . A A . 15 MET HE2 1 1 7 2835 1 1 15 MET HE3 H -7.603 5.806 -3.735 1.00 . A A . 15 MET HE3 1 1 7 2836 1 1 15 MET HG2 H -4.808 5.420 -1.439 1.00 . A A . 15 MET HG2 1 1 7 2837 1 1 15 MET HG3 H -4.638 6.936 -0.556 1.00 . A A . 15 MET HG3 1 1 7 2838 1 1 15 MET N N -1.083 6.206 -2.698 1.00 . A A . 15 MET N 1 1 7 2839 1 1 15 MET O O -2.431 4.164 -3.908 1.00 . A A . 15 MET O 1 1 7 2840 1 1 15 MET SD S -6.188 7.130 -2.354 1.00 . A A . 15 MET SD 1 1 7 2841 1 1 16 ASN C C -5.234 1.935 -1.979 1.00 . A A . 16 ASN C 1 1 7 2842 1 1 16 ASN CA C -3.828 2.298 -2.449 1.00 . A A . 16 ASN CA 1 1 7 2843 1 1 16 ASN CB C -2.822 1.274 -1.949 1.00 . A A . 16 ASN CB 1 1 7 2844 1 1 16 ASN CG C -2.622 0.135 -2.920 1.00 . A A . 16 ASN CG 1 1 7 2845 1 1 16 ASN H H -3.617 3.861 -1.048 1.00 . A A . 16 ASN H 1 1 7 2846 1 1 16 ASN HA H -3.808 2.312 -3.528 1.00 . A A . 16 ASN HA 1 1 7 2847 1 1 16 ASN HB2 H -1.871 1.760 -1.797 1.00 . A A . 16 ASN HB2 1 1 7 2848 1 1 16 ASN HB3 H -3.169 0.882 -1.013 1.00 . A A . 16 ASN HB3 1 1 7 2849 1 1 16 ASN HD21 H -1.281 1.205 -3.925 1.00 . A A . 16 ASN HD21 1 1 7 2850 1 1 16 ASN HD22 H -1.595 -0.378 -4.541 1.00 . A A . 16 ASN HD22 1 1 7 2851 1 1 16 ASN N N -3.419 3.603 -1.972 1.00 . A A . 16 ASN N 1 1 7 2852 1 1 16 ASN ND2 N -1.743 0.340 -3.894 1.00 . A A . 16 ASN ND2 1 1 7 2853 1 1 16 ASN O O -5.650 2.308 -0.885 1.00 . A A . 16 ASN O 1 1 7 2854 1 1 16 ASN OD1 O -3.243 -0.916 -2.795 1.00 . A A . 16 ASN OD1 1 1 7 2855 1 1 17 GLN C C -7.334 -0.184 -1.303 1.00 . A A . 17 GLN C 1 1 7 2856 1 1 17 GLN CA C -7.319 0.777 -2.494 1.00 . A A . 17 GLN CA 1 1 7 2857 1 1 17 GLN CB C -7.962 0.122 -3.709 1.00 . A A . 17 GLN CB 1 1 7 2858 1 1 17 GLN CD C -10.102 1.388 -4.172 1.00 . A A . 17 GLN CD 1 1 7 2859 1 1 17 GLN CG C -8.684 1.100 -4.622 1.00 . A A . 17 GLN CG 1 1 7 2860 1 1 17 GLN H H -5.568 0.927 -3.674 1.00 . A A . 17 GLN H 1 1 7 2861 1 1 17 GLN HA H -7.880 1.653 -2.242 1.00 . A A . 17 GLN HA 1 1 7 2862 1 1 17 GLN HB2 H -7.192 -0.358 -4.276 1.00 . A A . 17 GLN HB2 1 1 7 2863 1 1 17 GLN HB3 H -8.672 -0.621 -3.376 1.00 . A A . 17 GLN HB3 1 1 7 2864 1 1 17 GLN HE21 H -9.661 3.312 -3.931 1.00 . A A . 17 GLN HE21 1 1 7 2865 1 1 17 GLN HE22 H -11.288 2.863 -3.563 1.00 . A A . 17 GLN HE22 1 1 7 2866 1 1 17 GLN HG2 H -8.134 2.029 -4.639 1.00 . A A . 17 GLN HG2 1 1 7 2867 1 1 17 GLN HG3 H -8.716 0.685 -5.619 1.00 . A A . 17 GLN HG3 1 1 7 2868 1 1 17 GLN N N -5.958 1.196 -2.817 1.00 . A A . 17 GLN N 1 1 7 2869 1 1 17 GLN NE2 N -10.378 2.648 -3.856 1.00 . A A . 17 GLN NE2 1 1 7 2870 1 1 17 GLN O O -6.297 -0.725 -0.919 1.00 . A A . 17 GLN O 1 1 7 2871 1 1 17 GLN OE1 O -10.941 0.490 -4.108 1.00 . A A . 17 GLN OE1 1 1 7 2872 1 1 18 PRO C C -8.587 -2.775 0.094 1.00 . A A . 18 PRO C 1 1 7 2873 1 1 18 PRO CA C -8.662 -1.295 0.461 1.00 . A A . 18 PRO CA 1 1 7 2874 1 1 18 PRO CB C -10.054 -0.954 0.992 1.00 . A A . 18 PRO CB 1 1 7 2875 1 1 18 PRO CD C -9.802 0.212 -1.084 1.00 . A A . 18 PRO CD 1 1 7 2876 1 1 18 PRO CG C -10.807 -0.480 -0.202 1.00 . A A . 18 PRO CG 1 1 7 2877 1 1 18 PRO HA H -7.925 -1.077 1.219 1.00 . A A . 18 PRO HA 1 1 7 2878 1 1 18 PRO HB2 H -10.506 -1.837 1.419 1.00 . A A . 18 PRO HB2 1 1 7 2879 1 1 18 PRO HB3 H -9.979 -0.182 1.741 1.00 . A A . 18 PRO HB3 1 1 7 2880 1 1 18 PRO HD2 H -10.022 0.021 -2.123 1.00 . A A . 18 PRO HD2 1 1 7 2881 1 1 18 PRO HD3 H -9.796 1.273 -0.888 1.00 . A A . 18 PRO HD3 1 1 7 2882 1 1 18 PRO HG2 H -11.242 -1.322 -0.719 1.00 . A A . 18 PRO HG2 1 1 7 2883 1 1 18 PRO HG3 H -11.578 0.213 0.102 1.00 . A A . 18 PRO HG3 1 1 7 2884 1 1 18 PRO N N -8.517 -0.402 -0.696 1.00 . A A . 18 PRO N 1 1 7 2885 1 1 18 PRO O O -8.626 -3.639 0.970 1.00 . A A . 18 PRO O 1 1 7 2886 1 1 19 GLY C C -7.020 -4.830 -2.124 1.00 . A A . 19 GLY C 1 1 7 2887 1 1 19 GLY CA C -8.405 -4.450 -1.637 1.00 . A A . 19 GLY CA 1 1 7 2888 1 1 19 GLY H H -8.453 -2.345 -1.858 1.00 . A A . 19 GLY H 1 1 7 2889 1 1 19 GLY HA2 H -8.674 -5.094 -0.813 1.00 . A A . 19 GLY HA2 1 1 7 2890 1 1 19 GLY HA3 H -9.110 -4.600 -2.441 1.00 . A A . 19 GLY HA3 1 1 7 2891 1 1 19 GLY N N -8.481 -3.069 -1.198 1.00 . A A . 19 GLY N 1 1 7 2892 1 1 19 GLY O O -6.690 -6.012 -2.221 1.00 . A A . 19 GLY O 1 1 7 2893 1 1 20 THR C C -3.848 -3.982 -1.781 1.00 . A A . 20 THR C 1 1 7 2894 1 1 20 THR CA C -4.856 -4.050 -2.917 1.00 . A A . 20 THR CA 1 1 7 2895 1 1 20 THR CB C -4.499 -3.013 -3.978 1.00 . A A . 20 THR CB 1 1 7 2896 1 1 20 THR CG2 C -4.749 -3.491 -5.383 1.00 . A A . 20 THR CG2 1 1 7 2897 1 1 20 THR H H -6.534 -2.905 -2.338 1.00 . A A . 20 THR H 1 1 7 2898 1 1 20 THR HA H -4.814 -5.033 -3.361 1.00 . A A . 20 THR HA 1 1 7 2899 1 1 20 THR HB H -3.449 -2.775 -3.893 1.00 . A A . 20 THR HB 1 1 7 2900 1 1 20 THR HG1 H -6.164 -1.984 -4.032 1.00 . A A . 20 THR HG1 1 1 7 2901 1 1 20 THR HG21 H -4.433 -4.519 -5.473 1.00 . A A . 20 THR HG21 1 1 7 2902 1 1 20 THR HG22 H -4.190 -2.879 -6.074 1.00 . A A . 20 THR HG22 1 1 7 2903 1 1 20 THR HG23 H -5.803 -3.417 -5.604 1.00 . A A . 20 THR HG23 1 1 7 2904 1 1 20 THR N N -6.211 -3.825 -2.434 1.00 . A A . 20 THR N 1 1 7 2905 1 1 20 THR O O -3.023 -3.074 -1.730 1.00 . A A . 20 THR O 1 1 7 2906 1 1 20 THR OG1 O -5.248 -1.826 -3.791 1.00 . A A . 20 THR OG1 1 1 7 2907 1 1 21 GLY C C -1.538 -4.825 -0.246 1.00 . A A . 21 GLY C 1 1 7 2908 1 1 21 GLY CA C -2.966 -4.962 0.232 1.00 . A A . 21 GLY CA 1 1 7 2909 1 1 21 GLY H H -4.573 -5.660 -0.961 1.00 . A A . 21 GLY H 1 1 7 2910 1 1 21 GLY HA2 H -3.196 -4.142 0.897 1.00 . A A . 21 GLY HA2 1 1 7 2911 1 1 21 GLY HA3 H -3.066 -5.886 0.769 1.00 . A A . 21 GLY HA3 1 1 7 2912 1 1 21 GLY N N -3.904 -4.949 -0.874 1.00 . A A . 21 GLY N 1 1 7 2913 1 1 21 GLY O O -0.690 -4.265 0.450 1.00 . A A . 21 GLY O 1 1 7 2914 1 1 22 HIS C C 0.334 -3.780 -2.423 1.00 . A A . 22 HIS C 1 1 7 2915 1 1 22 HIS CA C 0.055 -5.229 -2.024 1.00 . A A . 22 HIS CA 1 1 7 2916 1 1 22 HIS CB C 0.194 -6.176 -3.219 1.00 . A A . 22 HIS CB 1 1 7 2917 1 1 22 HIS CD2 C 1.341 -8.494 -3.014 1.00 . A A . 22 HIS CD2 1 1 7 2918 1 1 22 HIS CE1 C -0.262 -9.551 -1.956 1.00 . A A . 22 HIS CE1 1 1 7 2919 1 1 22 HIS CG C 0.327 -7.616 -2.829 1.00 . A A . 22 HIS CG 1 1 7 2920 1 1 22 HIS H H -1.994 -5.739 -1.967 1.00 . A A . 22 HIS H 1 1 7 2921 1 1 22 HIS HA H 0.759 -5.516 -1.259 1.00 . A A . 22 HIS HA 1 1 7 2922 1 1 22 HIS HB2 H -0.678 -6.082 -3.847 1.00 . A A . 22 HIS HB2 1 1 7 2923 1 1 22 HIS HB3 H 1.072 -5.903 -3.787 1.00 . A A . 22 HIS HB3 1 1 7 2924 1 1 22 HIS HD1 H -1.528 -7.946 -1.885 1.00 . A A . 22 HIS HD1 1 1 7 2925 1 1 22 HIS HD2 H 2.283 -8.291 -3.505 1.00 . A A . 22 HIS HD2 1 1 7 2926 1 1 22 HIS HE1 H -0.829 -10.324 -1.458 1.00 . A A . 22 HIS HE1 1 1 7 2927 1 1 22 HIS HE2 H 1.444 -10.533 -2.524 1.00 . A A . 22 HIS HE2 1 1 7 2928 1 1 22 HIS N N -1.274 -5.319 -1.450 1.00 . A A . 22 HIS N 1 1 7 2929 1 1 22 HIS ND1 N -0.662 -8.310 -2.164 1.00 . A A . 22 HIS ND1 1 1 7 2930 1 1 22 HIS NE2 N 0.950 -9.689 -2.463 1.00 . A A . 22 HIS NE2 1 1 7 2931 1 1 22 HIS O O 0.475 -2.925 -1.559 1.00 . A A . 22 HIS O 1 1 7 2932 1 1 23 CYS C C 0.817 -2.081 -5.692 1.00 . A A . 23 CYS C 1 1 7 2933 1 1 23 CYS CA C 0.635 -2.134 -4.182 1.00 . A A . 23 CYS CA 1 1 7 2934 1 1 23 CYS CB C 1.859 -1.532 -3.500 1.00 . A A . 23 CYS CB 1 1 7 2935 1 1 23 CYS H H 0.272 -4.199 -4.377 1.00 . A A . 23 CYS H 1 1 7 2936 1 1 23 CYS HA H -0.231 -1.546 -3.921 1.00 . A A . 23 CYS HA 1 1 7 2937 1 1 23 CYS HB2 H 2.203 -2.197 -2.729 1.00 . A A . 23 CYS HB2 1 1 7 2938 1 1 23 CYS HB3 H 2.638 -1.411 -4.226 1.00 . A A . 23 CYS HB3 1 1 7 2939 1 1 23 CYS N N 0.397 -3.493 -3.721 1.00 . A A . 23 CYS N 1 1 7 2940 1 1 23 CYS O O 1.359 -3.006 -6.299 1.00 . A A . 23 CYS O 1 1 7 2941 1 1 23 CYS SG S 1.552 0.083 -2.746 1.00 . A A . 23 CYS SG 1 1 7 2942 1 1 24 GLU C C 1.688 0.131 -8.018 1.00 . A A . 24 GLU C 1 1 7 2943 1 1 24 GLU CA C 0.505 -0.784 -7.720 1.00 . A A . 24 GLU CA 1 1 7 2944 1 1 24 GLU CB C -0.783 -0.188 -8.295 1.00 . A A . 24 GLU CB 1 1 7 2945 1 1 24 GLU CD C -1.419 -0.956 -10.615 1.00 . A A . 24 GLU CD 1 1 7 2946 1 1 24 GLU CG C -1.590 -1.173 -9.125 1.00 . A A . 24 GLU CG 1 1 7 2947 1 1 24 GLU H H -0.032 -0.276 -5.742 1.00 . A A . 24 GLU H 1 1 7 2948 1 1 24 GLU HA H 0.683 -1.747 -8.175 1.00 . A A . 24 GLU HA 1 1 7 2949 1 1 24 GLU HB2 H -1.403 0.153 -7.479 1.00 . A A . 24 GLU HB2 1 1 7 2950 1 1 24 GLU HB3 H -0.531 0.655 -8.920 1.00 . A A . 24 GLU HB3 1 1 7 2951 1 1 24 GLU HG2 H -1.270 -2.175 -8.884 1.00 . A A . 24 GLU HG2 1 1 7 2952 1 1 24 GLU HG3 H -2.636 -1.060 -8.877 1.00 . A A . 24 GLU HG3 1 1 7 2953 1 1 24 GLU N N 0.377 -0.981 -6.286 1.00 . A A . 24 GLU N 1 1 7 2954 1 1 24 GLU O O 1.715 0.816 -9.040 1.00 . A A . 24 GLU O 1 1 7 2955 1 1 24 GLU OE1 O -0.499 -1.564 -11.202 1.00 . A A . 24 GLU OE1 1 1 7 2956 1 1 24 GLU OE2 O -2.204 -0.178 -11.197 1.00 . A A . 24 GLU OE2 1 1 7 2957 1 1 25 MET C C 5.096 0.145 -6.965 1.00 . A A . 25 MET C 1 1 7 2958 1 1 25 MET CA C 3.851 0.960 -7.275 1.00 . A A . 25 MET CA 1 1 7 2959 1 1 25 MET CB C 3.779 2.185 -6.364 1.00 . A A . 25 MET CB 1 1 7 2960 1 1 25 MET CE C 1.335 4.600 -8.689 1.00 . A A . 25 MET CE 1 1 7 2961 1 1 25 MET CG C 3.242 3.427 -7.055 1.00 . A A . 25 MET CG 1 1 7 2962 1 1 25 MET H H 2.593 -0.436 -6.317 1.00 . A A . 25 MET H 1 1 7 2963 1 1 25 MET HA H 3.893 1.285 -8.305 1.00 . A A . 25 MET HA 1 1 7 2964 1 1 25 MET HB2 H 3.135 1.959 -5.527 1.00 . A A . 25 MET HB2 1 1 7 2965 1 1 25 MET HB3 H 4.770 2.404 -5.996 1.00 . A A . 25 MET HB3 1 1 7 2966 1 1 25 MET HE1 H 0.308 4.932 -8.724 1.00 . A A . 25 MET HE1 1 1 7 2967 1 1 25 MET HE2 H 1.629 4.236 -9.663 1.00 . A A . 25 MET HE2 1 1 7 2968 1 1 25 MET HE3 H 1.971 5.426 -8.407 1.00 . A A . 25 MET HE3 1 1 7 2969 1 1 25 MET HG2 H 3.367 4.272 -6.395 1.00 . A A . 25 MET HG2 1 1 7 2970 1 1 25 MET HG3 H 3.809 3.592 -7.960 1.00 . A A . 25 MET HG3 1 1 7 2971 1 1 25 MET N N 2.667 0.135 -7.113 1.00 . A A . 25 MET N 1 1 7 2972 1 1 25 MET O O 5.931 -0.082 -7.840 1.00 . A A . 25 MET O 1 1 7 2973 1 1 25 MET SD S 1.497 3.284 -7.484 1.00 . A A . 25 MET SD 1 1 7 2974 1 1 26 CYS C C 6.170 -2.561 -5.718 1.00 . A A . 26 CYS C 1 1 7 2975 1 1 26 CYS CA C 6.357 -1.099 -5.321 1.00 . A A . 26 CYS CA 1 1 7 2976 1 1 26 CYS CB C 6.577 -0.992 -3.816 1.00 . A A . 26 CYS CB 1 1 7 2977 1 1 26 CYS H H 4.522 -0.101 -5.052 1.00 . A A . 26 CYS H 1 1 7 2978 1 1 26 CYS HA H 7.226 -0.709 -5.830 1.00 . A A . 26 CYS HA 1 1 7 2979 1 1 26 CYS HB2 H 7.247 -1.764 -3.522 1.00 . A A . 26 CYS HB2 1 1 7 2980 1 1 26 CYS HB3 H 7.015 -0.031 -3.587 1.00 . A A . 26 CYS HB3 1 1 7 2981 1 1 26 CYS N N 5.216 -0.305 -5.718 1.00 . A A . 26 CYS N 1 1 7 2982 1 1 26 CYS O O 7.066 -3.168 -6.306 1.00 . A A . 26 CYS O 1 1 7 2983 1 1 26 CYS SG S 5.086 -1.173 -2.813 1.00 . A A . 26 CYS SG 1 1 7 2984 1 1 27 SER C C 4.971 -5.357 -4.422 1.00 . A A . 27 SER C 1 1 7 2985 1 1 27 SER CA C 4.678 -4.522 -5.652 1.00 . A A . 27 SER CA 1 1 7 2986 1 1 27 SER CB C 5.455 -5.061 -6.853 1.00 . A A . 27 SER CB 1 1 7 2987 1 1 27 SER H H 4.354 -2.582 -4.875 1.00 . A A . 27 SER H 1 1 7 2988 1 1 27 SER HA H 3.622 -4.575 -5.865 1.00 . A A . 27 SER HA 1 1 7 2989 1 1 27 SER HB2 H 5.480 -4.309 -7.625 1.00 . A A . 27 SER HB2 1 1 7 2990 1 1 27 SER HB3 H 6.462 -5.300 -6.546 1.00 . A A . 27 SER HB3 1 1 7 2991 1 1 27 SER HG H 4.624 -6.825 -6.654 1.00 . A A . 27 SER HG 1 1 7 2992 1 1 27 SER N N 5.007 -3.122 -5.368 1.00 . A A . 27 SER N 1 1 7 2993 1 1 27 SER O O 5.421 -6.499 -4.507 1.00 . A A . 27 SER O 1 1 7 2994 1 1 27 SER OG O 4.846 -6.230 -7.374 1.00 . A A . 27 SER OG 1 1 7 2995 1 1 28 LEU C C 3.671 -5.432 -1.189 1.00 . A A . 28 LEU C 1 1 7 2996 1 1 28 LEU CA C 4.963 -5.363 -1.994 1.00 . A A . 28 LEU CA 1 1 7 2997 1 1 28 LEU CB C 6.000 -4.535 -1.252 1.00 . A A . 28 LEU CB 1 1 7 2998 1 1 28 LEU CD1 C 8.394 -4.024 -0.738 1.00 . A A . 28 LEU CD1 1 1 7 2999 1 1 28 LEU CD2 C 7.611 -6.397 -0.772 1.00 . A A . 28 LEU CD2 1 1 7 3000 1 1 28 LEU CG C 7.445 -5.018 -1.383 1.00 . A A . 28 LEU CG 1 1 7 3001 1 1 28 LEU H H 4.384 -3.832 -3.287 1.00 . A A . 28 LEU H 1 1 7 3002 1 1 28 LEU HA H 5.344 -6.359 -2.151 1.00 . A A . 28 LEU HA 1 1 7 3003 1 1 28 LEU HB2 H 5.949 -3.531 -1.632 1.00 . A A . 28 LEU HB2 1 1 7 3004 1 1 28 LEU HB3 H 5.733 -4.511 -0.222 1.00 . A A . 28 LEU HB3 1 1 7 3005 1 1 28 LEU HD11 H 8.714 -3.302 -1.475 1.00 . A A . 28 LEU HD11 1 1 7 3006 1 1 28 LEU HD12 H 9.248 -4.549 -0.347 1.00 . A A . 28 LEU HD12 1 1 7 3007 1 1 28 LEU HD13 H 7.888 -3.511 0.067 1.00 . A A . 28 LEU HD13 1 1 7 3008 1 1 28 LEU HD21 H 7.579 -6.320 0.304 1.00 . A A . 28 LEU HD21 1 1 7 3009 1 1 28 LEU HD22 H 8.562 -6.808 -1.076 1.00 . A A . 28 LEU HD22 1 1 7 3010 1 1 28 LEU HD23 H 6.818 -7.045 -1.110 1.00 . A A . 28 LEU HD23 1 1 7 3011 1 1 28 LEU HG H 7.693 -5.082 -2.433 1.00 . A A . 28 LEU HG 1 1 7 3012 1 1 28 LEU N N 4.725 -4.746 -3.273 1.00 . A A . 28 LEU N 1 1 7 3013 1 1 28 LEU O O 2.666 -4.842 -1.571 1.00 . A A . 28 LEU O 1 1 7 3014 1 1 29 PRO C C 2.288 -5.078 1.697 1.00 . A A . 29 PRO C 1 1 7 3015 1 1 29 PRO CA C 2.518 -6.297 0.809 1.00 . A A . 29 PRO CA 1 1 7 3016 1 1 29 PRO CB C 2.875 -7.517 1.656 1.00 . A A . 29 PRO CB 1 1 7 3017 1 1 29 PRO CD C 4.859 -6.870 0.465 1.00 . A A . 29 PRO CD 1 1 7 3018 1 1 29 PRO CG C 4.363 -7.490 1.747 1.00 . A A . 29 PRO CG 1 1 7 3019 1 1 29 PRO HA H 1.624 -6.501 0.238 1.00 . A A . 29 PRO HA 1 1 7 3020 1 1 29 PRO HB2 H 2.415 -7.429 2.630 1.00 . A A . 29 PRO HB2 1 1 7 3021 1 1 29 PRO HB3 H 2.526 -8.414 1.166 1.00 . A A . 29 PRO HB3 1 1 7 3022 1 1 29 PRO HD2 H 5.666 -6.182 0.665 1.00 . A A . 29 PRO HD2 1 1 7 3023 1 1 29 PRO HD3 H 5.178 -7.633 -0.227 1.00 . A A . 29 PRO HD3 1 1 7 3024 1 1 29 PRO HG2 H 4.667 -6.891 2.593 1.00 . A A . 29 PRO HG2 1 1 7 3025 1 1 29 PRO HG3 H 4.741 -8.497 1.847 1.00 . A A . 29 PRO HG3 1 1 7 3026 1 1 29 PRO N N 3.688 -6.150 -0.058 1.00 . A A . 29 PRO N 1 1 7 3027 1 1 29 PRO O O 3.194 -4.271 1.907 1.00 . A A . 29 PRO O 1 1 7 3028 1 1 30 ARG C C 1.408 -3.963 4.447 1.00 . A A . 30 ARG C 1 1 7 3029 1 1 30 ARG CA C 0.723 -3.838 3.096 1.00 . A A . 30 ARG CA 1 1 7 3030 1 1 30 ARG CB C -0.793 -3.766 3.280 1.00 . A A . 30 ARG CB 1 1 7 3031 1 1 30 ARG CD C -2.873 -2.359 3.195 1.00 . A A . 30 ARG CD 1 1 7 3032 1 1 30 ARG CG C -1.352 -2.357 3.188 1.00 . A A . 30 ARG CG 1 1 7 3033 1 1 30 ARG CZ C -4.667 -3.737 4.175 1.00 . A A . 30 ARG CZ 1 1 7 3034 1 1 30 ARG H H 0.393 -5.634 2.027 1.00 . A A . 30 ARG H 1 1 7 3035 1 1 30 ARG HA H 1.065 -2.938 2.627 1.00 . A A . 30 ARG HA 1 1 7 3036 1 1 30 ARG HB2 H -1.261 -4.371 2.522 1.00 . A A . 30 ARG HB2 1 1 7 3037 1 1 30 ARG HB3 H -1.045 -4.168 4.247 1.00 . A A . 30 ARG HB3 1 1 7 3038 1 1 30 ARG HD2 H -3.220 -1.360 3.413 1.00 . A A . 30 ARG HD2 1 1 7 3039 1 1 30 ARG HD3 H -3.225 -2.655 2.217 1.00 . A A . 30 ARG HD3 1 1 7 3040 1 1 30 ARG HE H -2.822 -3.564 4.917 1.00 . A A . 30 ARG HE 1 1 7 3041 1 1 30 ARG HG2 H -1.000 -1.784 4.032 1.00 . A A . 30 ARG HG2 1 1 7 3042 1 1 30 ARG HG3 H -1.006 -1.903 2.272 1.00 . A A . 30 ARG HG3 1 1 7 3043 1 1 30 ARG HH11 H -5.198 -2.741 2.496 1.00 . A A . 30 ARG HH11 1 1 7 3044 1 1 30 ARG HH12 H -6.440 -3.718 3.204 1.00 . A A . 30 ARG HH12 1 1 7 3045 1 1 30 ARG HH21 H -4.456 -4.849 5.849 1.00 . A A . 30 ARG HH21 1 1 7 3046 1 1 30 ARG HH22 H -6.020 -4.914 5.108 1.00 . A A . 30 ARG HH22 1 1 7 3047 1 1 30 ARG N N 1.071 -4.954 2.223 1.00 . A A . 30 ARG N 1 1 7 3048 1 1 30 ARG NE N -3.418 -3.276 4.194 1.00 . A A . 30 ARG NE 1 1 7 3049 1 1 30 ARG NH1 N -5.503 -3.369 3.213 1.00 . A A . 30 ARG NH1 1 1 7 3050 1 1 30 ARG NH2 N -5.082 -4.568 5.121 1.00 . A A . 30 ARG NH2 1 1 7 3051 1 1 30 ARG O O 1.381 -3.039 5.261 1.00 . A A . 30 ARG O 1 1 7 3052 1 1 31 THR C C 3.918 -6.271 5.700 1.00 . A A . 31 THR C 1 1 7 3053 1 1 31 THR CA C 2.704 -5.373 5.929 1.00 . A A . 31 THR CA 1 1 7 3054 1 1 31 THR CB C 1.739 -6.022 6.925 1.00 . A A . 31 THR CB 1 1 7 3055 1 1 31 THR CG2 C 2.419 -6.577 8.160 1.00 . A A . 31 THR CG2 1 1 7 3056 1 1 31 THR H H 1.989 -5.803 3.990 1.00 . A A . 31 THR H 1 1 7 3057 1 1 31 THR HA H 3.036 -4.426 6.324 1.00 . A A . 31 THR HA 1 1 7 3058 1 1 31 THR HB H 1.230 -6.837 6.430 1.00 . A A . 31 THR HB 1 1 7 3059 1 1 31 THR HG1 H -0.111 -5.452 7.218 1.00 . A A . 31 THR HG1 1 1 7 3060 1 1 31 THR HG21 H 2.948 -5.784 8.667 1.00 . A A . 31 THR HG21 1 1 7 3061 1 1 31 THR HG22 H 3.116 -7.349 7.871 1.00 . A A . 31 THR HG22 1 1 7 3062 1 1 31 THR HG23 H 1.675 -6.993 8.824 1.00 . A A . 31 THR HG23 1 1 7 3063 1 1 31 THR N N 2.013 -5.112 4.678 1.00 . A A . 31 THR N 1 1 7 3064 1 1 31 THR O O 4.945 -6.123 6.362 1.00 . A A . 31 THR O 1 1 7 3065 1 1 31 THR OG1 O 0.766 -5.088 7.356 1.00 . A A . 31 THR OG1 1 1 7 3066 2 2 1 ZN ZN ZN 3.850 0.710 -2.374 1.00 . B A . 32 ZN ZN 1 1 8 3067 1 1 1 GLY C C -19.743 3.068 -1.455 1.00 . A A . 1 GLY C 1 1 8 3068 1 1 1 GLY CA C -20.560 4.345 -1.424 1.00 . A A . 1 GLY CA 1 1 8 3069 1 1 1 GLY H1 H -19.136 5.714 -2.103 1.00 . A A . 1 GLY H1 1 1 8 3070 1 1 1 GLY H2 H -19.083 5.442 -0.434 1.00 . A A . 1 GLY H2 1 1 8 3071 1 1 1 GLY H3 H -20.314 6.393 -1.096 1.00 . A A . 1 GLY H3 1 1 8 3072 1 1 1 GLY HA2 H -21.261 4.291 -0.604 1.00 . A A . 1 GLY HA2 1 1 8 3073 1 1 1 GLY HA3 H -21.110 4.431 -2.349 1.00 . A A . 1 GLY HA3 1 1 8 3074 1 1 1 GLY N N -19.714 5.559 -1.252 1.00 . A A . 1 GLY N 1 1 8 3075 1 1 1 GLY O O -19.999 2.141 -0.687 1.00 . A A . 1 GLY O 1 1 8 3076 1 1 2 SER C C -16.526 2.109 -1.863 1.00 . A A . 2 SER C 1 1 8 3077 1 1 2 SER CA C -17.900 1.848 -2.473 1.00 . A A . 2 SER CA 1 1 8 3078 1 1 2 SER CB C -17.751 1.458 -3.944 1.00 . A A . 2 SER CB 1 1 8 3079 1 1 2 SER H H -18.603 3.792 -2.929 1.00 . A A . 2 SER H 1 1 8 3080 1 1 2 SER HA H -18.369 1.035 -1.940 1.00 . A A . 2 SER HA 1 1 8 3081 1 1 2 SER HB2 H -17.723 2.351 -4.550 1.00 . A A . 2 SER HB2 1 1 8 3082 1 1 2 SER HB3 H -16.834 0.903 -4.077 1.00 . A A . 2 SER HB3 1 1 8 3083 1 1 2 SER HG H -19.650 1.161 -4.325 1.00 . A A . 2 SER HG 1 1 8 3084 1 1 2 SER N N -18.757 3.020 -2.344 1.00 . A A . 2 SER N 1 1 8 3085 1 1 2 SER O O -16.230 3.221 -1.429 1.00 . A A . 2 SER O 1 1 8 3086 1 1 2 SER OG O -18.837 0.653 -4.371 1.00 . A A . 2 SER OG 1 1 8 3087 1 1 3 THR C C -14.404 1.588 0.196 1.00 . A A . 3 THR C 1 1 8 3088 1 1 3 THR CA C -14.350 1.192 -1.276 1.00 . A A . 3 THR CA 1 1 8 3089 1 1 3 THR CB C -13.536 2.220 -2.063 1.00 . A A . 3 THR CB 1 1 8 3090 1 1 3 THR CG2 C -12.109 2.352 -1.579 1.00 . A A . 3 THR CG2 1 1 8 3091 1 1 3 THR H H -15.987 0.212 -2.193 1.00 . A A . 3 THR H 1 1 8 3092 1 1 3 THR HA H -13.871 0.227 -1.359 1.00 . A A . 3 THR HA 1 1 8 3093 1 1 3 THR HB H -14.008 3.187 -1.968 1.00 . A A . 3 THR HB 1 1 8 3094 1 1 3 THR HG1 H -13.578 2.675 -3.968 1.00 . A A . 3 THR HG1 1 1 8 3095 1 1 3 THR HG21 H -12.058 2.091 -0.532 1.00 . A A . 3 THR HG21 1 1 8 3096 1 1 3 THR HG22 H -11.775 3.369 -1.713 1.00 . A A . 3 THR HG22 1 1 8 3097 1 1 3 THR HG23 H -11.473 1.686 -2.145 1.00 . A A . 3 THR HG23 1 1 8 3098 1 1 3 THR N N -15.692 1.074 -1.832 1.00 . A A . 3 THR N 1 1 8 3099 1 1 3 THR O O -14.783 2.710 0.534 1.00 . A A . 3 THR O 1 1 8 3100 1 1 3 THR OG1 O -13.493 1.880 -3.438 1.00 . A A . 3 THR OG1 1 1 8 3101 1 1 4 SER C C -13.088 2.063 2.857 1.00 . A A . 4 SER C 1 1 8 3102 1 1 4 SER CA C -14.028 0.914 2.504 1.00 . A A . 4 SER CA 1 1 8 3103 1 1 4 SER CB C -13.618 -0.347 3.267 1.00 . A A . 4 SER CB 1 1 8 3104 1 1 4 SER H H -13.730 -0.214 0.738 1.00 . A A . 4 SER H 1 1 8 3105 1 1 4 SER HA H -15.033 1.186 2.789 1.00 . A A . 4 SER HA 1 1 8 3106 1 1 4 SER HB2 H -13.490 -0.109 4.313 1.00 . A A . 4 SER HB2 1 1 8 3107 1 1 4 SER HB3 H -14.390 -1.096 3.161 1.00 . A A . 4 SER HB3 1 1 8 3108 1 1 4 SER HG H -12.346 -1.809 2.978 1.00 . A A . 4 SER HG 1 1 8 3109 1 1 4 SER N N -14.022 0.661 1.068 1.00 . A A . 4 SER N 1 1 8 3110 1 1 4 SER O O -13.533 3.174 3.144 1.00 . A A . 4 SER O 1 1 8 3111 1 1 4 SER OG O -12.401 -0.874 2.768 1.00 . A A . 4 SER OG 1 1 8 3112 1 1 5 ALA C C -9.429 2.430 2.564 1.00 . A A . 5 ALA C 1 1 8 3113 1 1 5 ALA CA C -10.788 2.798 3.151 1.00 . A A . 5 ALA CA 1 1 8 3114 1 1 5 ALA CB C -10.681 2.981 4.658 1.00 . A A . 5 ALA CB 1 1 8 3115 1 1 5 ALA H H -11.496 0.883 2.598 1.00 . A A . 5 ALA H 1 1 8 3116 1 1 5 ALA HA H -11.112 3.735 2.721 1.00 . A A . 5 ALA HA 1 1 8 3117 1 1 5 ALA HB1 H -9.944 3.740 4.877 1.00 . A A . 5 ALA HB1 1 1 8 3118 1 1 5 ALA HB2 H -10.384 2.048 5.114 1.00 . A A . 5 ALA HB2 1 1 8 3119 1 1 5 ALA HB3 H -11.640 3.285 5.052 1.00 . A A . 5 ALA HB3 1 1 8 3120 1 1 5 ALA N N -11.789 1.788 2.834 1.00 . A A . 5 ALA N 1 1 8 3121 1 1 5 ALA O O -8.901 1.350 2.827 1.00 . A A . 5 ALA O 1 1 8 3122 1 1 6 MET C C -6.453 3.207 2.178 1.00 . A A . 6 MET C 1 1 8 3123 1 1 6 MET CA C -7.572 3.108 1.149 1.00 . A A . 6 MET CA 1 1 8 3124 1 1 6 MET CB C -7.340 4.130 0.039 1.00 . A A . 6 MET CB 1 1 8 3125 1 1 6 MET CE C -7.925 5.381 -3.529 1.00 . A A . 6 MET CE 1 1 8 3126 1 1 6 MET CG C -8.109 3.832 -1.238 1.00 . A A . 6 MET CG 1 1 8 3127 1 1 6 MET H H -9.334 4.180 1.601 1.00 . A A . 6 MET H 1 1 8 3128 1 1 6 MET HA H -7.574 2.116 0.722 1.00 . A A . 6 MET HA 1 1 8 3129 1 1 6 MET HB2 H -7.636 5.101 0.396 1.00 . A A . 6 MET HB2 1 1 8 3130 1 1 6 MET HB3 H -6.289 4.154 -0.197 1.00 . A A . 6 MET HB3 1 1 8 3131 1 1 6 MET HE1 H -8.578 5.091 -4.339 1.00 . A A . 6 MET HE1 1 1 8 3132 1 1 6 MET HE2 H -7.083 4.706 -3.488 1.00 . A A . 6 MET HE2 1 1 8 3133 1 1 6 MET HE3 H -7.572 6.387 -3.695 1.00 . A A . 6 MET HE3 1 1 8 3134 1 1 6 MET HG2 H -7.435 3.379 -1.951 1.00 . A A . 6 MET HG2 1 1 8 3135 1 1 6 MET HG3 H -8.906 3.140 -1.009 1.00 . A A . 6 MET HG3 1 1 8 3136 1 1 6 MET N N -8.868 3.336 1.772 1.00 . A A . 6 MET N 1 1 8 3137 1 1 6 MET O O -6.701 3.472 3.354 1.00 . A A . 6 MET O 1 1 8 3138 1 1 6 MET SD S -8.824 5.312 -1.982 1.00 . A A . 6 MET SD 1 1 8 3139 1 1 7 TRP C C -2.893 3.781 1.946 1.00 . A A . 7 TRP C 1 1 8 3140 1 1 7 TRP CA C -4.069 3.085 2.616 1.00 . A A . 7 TRP CA 1 1 8 3141 1 1 7 TRP CB C -3.644 1.698 3.110 1.00 . A A . 7 TRP CB 1 1 8 3142 1 1 7 TRP CD1 C -4.293 -0.036 1.323 1.00 . A A . 7 TRP CD1 1 1 8 3143 1 1 7 TRP CD2 C -2.087 0.298 1.527 1.00 . A A . 7 TRP CD2 1 1 8 3144 1 1 7 TRP CE2 C -2.303 -0.674 0.531 1.00 . A A . 7 TRP CE2 1 1 8 3145 1 1 7 TRP CE3 C -0.773 0.671 1.827 1.00 . A A . 7 TRP CE3 1 1 8 3146 1 1 7 TRP CG C -3.373 0.696 2.022 1.00 . A A . 7 TRP CG 1 1 8 3147 1 1 7 TRP CH2 C 0.019 -0.892 0.152 1.00 . A A . 7 TRP CH2 1 1 8 3148 1 1 7 TRP CZ2 C -1.257 -1.277 -0.162 1.00 . A A . 7 TRP CZ2 1 1 8 3149 1 1 7 TRP CZ3 C 0.265 0.073 1.135 1.00 . A A . 7 TRP CZ3 1 1 8 3150 1 1 7 TRP H H -5.086 2.808 0.777 1.00 . A A . 7 TRP H 1 1 8 3151 1 1 7 TRP HA H -4.367 3.675 3.470 1.00 . A A . 7 TRP HA 1 1 8 3152 1 1 7 TRP HB2 H -2.741 1.800 3.692 1.00 . A A . 7 TRP HB2 1 1 8 3153 1 1 7 TRP HB3 H -4.422 1.303 3.742 1.00 . A A . 7 TRP HB3 1 1 8 3154 1 1 7 TRP HD1 H -5.361 0.035 1.466 1.00 . A A . 7 TRP HD1 1 1 8 3155 1 1 7 TRP HE1 H -4.099 -1.484 -0.199 1.00 . A A . 7 TRP HE1 1 1 8 3156 1 1 7 TRP HE3 H -0.562 1.414 2.582 1.00 . A A . 7 TRP HE3 1 1 8 3157 1 1 7 TRP HH2 H 0.864 -1.331 -0.369 1.00 . A A . 7 TRP HH2 1 1 8 3158 1 1 7 TRP HZ2 H -1.433 -2.028 -0.917 1.00 . A A . 7 TRP HZ2 1 1 8 3159 1 1 7 TRP HZ3 H 1.286 0.348 1.352 1.00 . A A . 7 TRP HZ3 1 1 8 3160 1 1 7 TRP N N -5.221 3.004 1.727 1.00 . A A . 7 TRP N 1 1 8 3161 1 1 7 TRP NE1 N -3.656 -0.862 0.423 1.00 . A A . 7 TRP NE1 1 1 8 3162 1 1 7 TRP O O -2.831 3.891 0.721 1.00 . A A . 7 TRP O 1 1 8 3163 1 1 8 ALA C C 0.463 4.055 2.482 1.00 . A A . 8 ALA C 1 1 8 3164 1 1 8 ALA CA C -0.771 4.926 2.282 1.00 . A A . 8 ALA CA 1 1 8 3165 1 1 8 ALA CB C -0.599 6.263 2.989 1.00 . A A . 8 ALA CB 1 1 8 3166 1 1 8 ALA H H -2.077 4.112 3.735 1.00 . A A . 8 ALA H 1 1 8 3167 1 1 8 ALA HA H -0.902 5.116 1.224 1.00 . A A . 8 ALA HA 1 1 8 3168 1 1 8 ALA HB1 H 0.167 6.839 2.490 1.00 . A A . 8 ALA HB1 1 1 8 3169 1 1 8 ALA HB2 H -0.310 6.092 4.015 1.00 . A A . 8 ALA HB2 1 1 8 3170 1 1 8 ALA HB3 H -1.533 6.806 2.963 1.00 . A A . 8 ALA HB3 1 1 8 3171 1 1 8 ALA N N -1.962 4.242 2.770 1.00 . A A . 8 ALA N 1 1 8 3172 1 1 8 ALA O O 0.826 3.726 3.611 1.00 . A A . 8 ALA O 1 1 8 3173 1 1 9 CYS C C 3.447 3.550 2.085 1.00 . A A . 9 CYS C 1 1 8 3174 1 1 9 CYS CA C 2.278 2.831 1.433 1.00 . A A . 9 CYS CA 1 1 8 3175 1 1 9 CYS CB C 2.666 2.379 0.029 1.00 . A A . 9 CYS CB 1 1 8 3176 1 1 9 CYS H H 0.759 3.965 0.510 1.00 . A A . 9 CYS H 1 1 8 3177 1 1 9 CYS HA H 2.036 1.962 2.023 1.00 . A A . 9 CYS HA 1 1 8 3178 1 1 9 CYS HB2 H 1.780 2.049 -0.496 1.00 . A A . 9 CYS HB2 1 1 8 3179 1 1 9 CYS HB3 H 3.103 3.213 -0.500 1.00 . A A . 9 CYS HB3 1 1 8 3180 1 1 9 CYS N N 1.096 3.674 1.380 1.00 . A A . 9 CYS N 1 1 8 3181 1 1 9 CYS O O 3.472 4.779 2.162 1.00 . A A . 9 CYS O 1 1 8 3182 1 1 9 CYS SG S 3.862 1.019 -0.003 1.00 . A A . 9 CYS SG 1 1 8 3183 1 1 10 GLN C C 6.860 2.975 2.393 1.00 . A A . 10 GLN C 1 1 8 3184 1 1 10 GLN CA C 5.603 3.336 3.180 1.00 . A A . 10 GLN CA 1 1 8 3185 1 1 10 GLN CB C 5.723 2.835 4.620 1.00 . A A . 10 GLN CB 1 1 8 3186 1 1 10 GLN CD C 4.652 0.601 5.115 1.00 . A A . 10 GLN CD 1 1 8 3187 1 1 10 GLN CG C 5.923 1.331 4.727 1.00 . A A . 10 GLN CG 1 1 8 3188 1 1 10 GLN H H 4.347 1.804 2.450 1.00 . A A . 10 GLN H 1 1 8 3189 1 1 10 GLN HA H 5.491 4.409 3.188 1.00 . A A . 10 GLN HA 1 1 8 3190 1 1 10 GLN HB2 H 6.565 3.322 5.089 1.00 . A A . 10 GLN HB2 1 1 8 3191 1 1 10 GLN HB3 H 4.824 3.095 5.157 1.00 . A A . 10 GLN HB3 1 1 8 3192 1 1 10 GLN HE21 H 4.418 -0.034 3.246 1.00 . A A . 10 GLN HE21 1 1 8 3193 1 1 10 GLN HE22 H 3.204 -0.538 4.368 1.00 . A A . 10 GLN HE22 1 1 8 3194 1 1 10 GLN HG2 H 6.258 0.957 3.772 1.00 . A A . 10 GLN HG2 1 1 8 3195 1 1 10 GLN HG3 H 6.678 1.134 5.475 1.00 . A A . 10 GLN HG3 1 1 8 3196 1 1 10 GLN N N 4.422 2.775 2.545 1.00 . A A . 10 GLN N 1 1 8 3197 1 1 10 GLN NE2 N 4.028 -0.057 4.145 1.00 . A A . 10 GLN NE2 1 1 8 3198 1 1 10 GLN O O 7.928 2.768 2.969 1.00 . A A . 10 GLN O 1 1 8 3199 1 1 10 GLN OE1 O 4.237 0.627 6.274 1.00 . A A . 10 GLN OE1 1 1 8 3200 1 1 11 HIS C C 7.818 3.496 -1.018 1.00 . A A . 11 HIS C 1 1 8 3201 1 1 11 HIS CA C 7.846 2.586 0.198 1.00 . A A . 11 HIS CA 1 1 8 3202 1 1 11 HIS CB C 7.782 1.120 -0.237 1.00 . A A . 11 HIS CB 1 1 8 3203 1 1 11 HIS CD2 C 10.154 0.081 -0.170 1.00 . A A . 11 HIS CD2 1 1 8 3204 1 1 11 HIS CE1 C 10.564 0.084 -2.324 1.00 . A A . 11 HIS CE1 1 1 8 3205 1 1 11 HIS CG C 9.067 0.606 -0.792 1.00 . A A . 11 HIS CG 1 1 8 3206 1 1 11 HIS H H 5.849 3.094 0.665 1.00 . A A . 11 HIS H 1 1 8 3207 1 1 11 HIS HA H 8.760 2.757 0.746 1.00 . A A . 11 HIS HA 1 1 8 3208 1 1 11 HIS HB2 H 7.519 0.510 0.614 1.00 . A A . 11 HIS HB2 1 1 8 3209 1 1 11 HIS HB3 H 7.025 1.011 -1.001 1.00 . A A . 11 HIS HB3 1 1 8 3210 1 1 11 HIS HD1 H 8.775 0.910 -2.855 1.00 . A A . 11 HIS HD1 1 1 8 3211 1 1 11 HIS HD2 H 10.274 -0.062 0.894 1.00 . A A . 11 HIS HD2 1 1 8 3212 1 1 11 HIS HE1 H 11.061 -0.051 -3.276 1.00 . A A . 11 HIS HE1 1 1 8 3213 1 1 11 HIS HE2 H 11.986 -0.552 -0.988 1.00 . A A . 11 HIS HE2 1 1 8 3214 1 1 11 HIS N N 6.726 2.910 1.070 1.00 . A A . 11 HIS N 1 1 8 3215 1 1 11 HIS ND1 N 9.358 0.594 -2.139 1.00 . A A . 11 HIS ND1 1 1 8 3216 1 1 11 HIS NE2 N 11.069 -0.236 -1.145 1.00 . A A . 11 HIS NE2 1 1 8 3217 1 1 11 HIS O O 8.751 4.262 -1.260 1.00 . A A . 11 HIS O 1 1 8 3218 1 1 12 CYS C C 5.958 5.602 -2.506 1.00 . A A . 12 CYS C 1 1 8 3219 1 1 12 CYS CA C 6.540 4.260 -2.928 1.00 . A A . 12 CYS CA 1 1 8 3220 1 1 12 CYS CB C 5.611 3.573 -3.920 1.00 . A A . 12 CYS CB 1 1 8 3221 1 1 12 CYS H H 6.005 2.817 -1.506 1.00 . A A . 12 CYS H 1 1 8 3222 1 1 12 CYS HA H 7.503 4.417 -3.387 1.00 . A A . 12 CYS HA 1 1 8 3223 1 1 12 CYS HB2 H 5.337 4.280 -4.666 1.00 . A A . 12 CYS HB2 1 1 8 3224 1 1 12 CYS HB3 H 6.132 2.748 -4.383 1.00 . A A . 12 CYS HB3 1 1 8 3225 1 1 12 CYS N N 6.722 3.428 -1.762 1.00 . A A . 12 CYS N 1 1 8 3226 1 1 12 CYS O O 6.272 6.639 -3.085 1.00 . A A . 12 CYS O 1 1 8 3227 1 1 12 CYS SG S 4.081 2.931 -3.208 1.00 . A A . 12 CYS SG 1 1 8 3228 1 1 13 THR C C 3.231 7.147 -1.716 1.00 . A A . 13 THR C 1 1 8 3229 1 1 13 THR CA C 4.465 6.742 -0.911 1.00 . A A . 13 THR CA 1 1 8 3230 1 1 13 THR CB C 5.460 7.911 -0.785 1.00 . A A . 13 THR CB 1 1 8 3231 1 1 13 THR CG2 C 5.502 8.849 -1.978 1.00 . A A . 13 THR CG2 1 1 8 3232 1 1 13 THR H H 4.926 4.679 -1.070 1.00 . A A . 13 THR H 1 1 8 3233 1 1 13 THR HA H 4.135 6.472 0.081 1.00 . A A . 13 THR HA 1 1 8 3234 1 1 13 THR HB H 6.450 7.500 -0.652 1.00 . A A . 13 THR HB 1 1 8 3235 1 1 13 THR HG1 H 4.249 9.001 0.302 1.00 . A A . 13 THR HG1 1 1 8 3236 1 1 13 THR HG21 H 4.994 8.395 -2.816 1.00 . A A . 13 THR HG21 1 1 8 3237 1 1 13 THR HG22 H 6.530 9.045 -2.245 1.00 . A A . 13 THR HG22 1 1 8 3238 1 1 13 THR HG23 H 5.014 9.778 -1.723 1.00 . A A . 13 THR HG23 1 1 8 3239 1 1 13 THR N N 5.114 5.553 -1.474 1.00 . A A . 13 THR N 1 1 8 3240 1 1 13 THR O O 2.943 8.332 -1.886 1.00 . A A . 13 THR O 1 1 8 3241 1 1 13 THR OG1 O 5.157 8.694 0.355 1.00 . A A . 13 THR OG1 1 1 8 3242 1 1 14 PHE C C 0.082 5.790 -2.251 1.00 . A A . 14 PHE C 1 1 8 3243 1 1 14 PHE CA C 1.285 6.396 -2.956 1.00 . A A . 14 PHE CA 1 1 8 3244 1 1 14 PHE CB C 1.421 5.806 -4.358 1.00 . A A . 14 PHE CB 1 1 8 3245 1 1 14 PHE CD1 C -0.092 7.371 -5.605 1.00 . A A . 14 PHE CD1 1 1 8 3246 1 1 14 PHE CD2 C -0.529 5.031 -5.733 1.00 . A A . 14 PHE CD2 1 1 8 3247 1 1 14 PHE CE1 C -1.175 7.623 -6.427 1.00 . A A . 14 PHE CE1 1 1 8 3248 1 1 14 PHE CE2 C -1.613 5.275 -6.556 1.00 . A A . 14 PHE CE2 1 1 8 3249 1 1 14 PHE CG C 0.243 6.076 -5.250 1.00 . A A . 14 PHE CG 1 1 8 3250 1 1 14 PHE CZ C -1.936 6.572 -6.902 1.00 . A A . 14 PHE CZ 1 1 8 3251 1 1 14 PHE H H 2.761 5.230 -2.011 1.00 . A A . 14 PHE H 1 1 8 3252 1 1 14 PHE HA H 1.147 7.462 -3.034 1.00 . A A . 14 PHE HA 1 1 8 3253 1 1 14 PHE HB2 H 2.291 6.226 -4.828 1.00 . A A . 14 PHE HB2 1 1 8 3254 1 1 14 PHE HB3 H 1.542 4.737 -4.278 1.00 . A A . 14 PHE HB3 1 1 8 3255 1 1 14 PHE HD1 H 0.504 8.193 -5.234 1.00 . A A . 14 PHE HD1 1 1 8 3256 1 1 14 PHE HD2 H -0.277 4.016 -5.462 1.00 . A A . 14 PHE HD2 1 1 8 3257 1 1 14 PHE HE1 H -1.425 8.638 -6.697 1.00 . A A . 14 PHE HE1 1 1 8 3258 1 1 14 PHE HE2 H -2.206 4.452 -6.927 1.00 . A A . 14 PHE HE2 1 1 8 3259 1 1 14 PHE HZ H -2.782 6.766 -7.544 1.00 . A A . 14 PHE HZ 1 1 8 3260 1 1 14 PHE N N 2.494 6.152 -2.190 1.00 . A A . 14 PHE N 1 1 8 3261 1 1 14 PHE O O 0.226 4.972 -1.343 1.00 . A A . 14 PHE O 1 1 8 3262 1 1 15 MET C C -2.723 4.381 -2.773 1.00 . A A . 15 MET C 1 1 8 3263 1 1 15 MET CA C -2.335 5.682 -2.102 1.00 . A A . 15 MET CA 1 1 8 3264 1 1 15 MET CB C -3.461 6.709 -2.236 1.00 . A A . 15 MET CB 1 1 8 3265 1 1 15 MET CE C -6.586 8.350 -1.623 1.00 . A A . 15 MET CE 1 1 8 3266 1 1 15 MET CG C -4.418 6.719 -1.056 1.00 . A A . 15 MET CG 1 1 8 3267 1 1 15 MET H H -1.141 6.838 -3.413 1.00 . A A . 15 MET H 1 1 8 3268 1 1 15 MET HA H -2.155 5.479 -1.054 1.00 . A A . 15 MET HA 1 1 8 3269 1 1 15 MET HB2 H -3.026 7.693 -2.327 1.00 . A A . 15 MET HB2 1 1 8 3270 1 1 15 MET HB3 H -4.027 6.490 -3.130 1.00 . A A . 15 MET HB3 1 1 8 3271 1 1 15 MET HE1 H -6.912 7.330 -1.762 1.00 . A A . 15 MET HE1 1 1 8 3272 1 1 15 MET HE2 H -6.427 8.810 -2.587 1.00 . A A . 15 MET HE2 1 1 8 3273 1 1 15 MET HE3 H -7.343 8.899 -1.083 1.00 . A A . 15 MET HE3 1 1 8 3274 1 1 15 MET HG2 H -5.251 6.069 -1.280 1.00 . A A . 15 MET HG2 1 1 8 3275 1 1 15 MET HG3 H -3.899 6.349 -0.185 1.00 . A A . 15 MET HG3 1 1 8 3276 1 1 15 MET N N -1.100 6.191 -2.683 1.00 . A A . 15 MET N 1 1 8 3277 1 1 15 MET O O -2.385 4.140 -3.932 1.00 . A A . 15 MET O 1 1 8 3278 1 1 15 MET SD S -5.056 8.366 -0.693 1.00 . A A . 15 MET SD 1 1 8 3279 1 1 16 ASN C C -5.205 1.857 -2.093 1.00 . A A . 16 ASN C 1 1 8 3280 1 1 16 ASN CA C -3.792 2.233 -2.534 1.00 . A A . 16 ASN CA 1 1 8 3281 1 1 16 ASN CB C -2.790 1.207 -2.032 1.00 . A A . 16 ASN CB 1 1 8 3282 1 1 16 ASN CG C -2.519 0.113 -3.038 1.00 . A A . 16 ASN CG 1 1 8 3283 1 1 16 ASN H H -3.614 3.764 -1.099 1.00 . A A . 16 ASN H 1 1 8 3284 1 1 16 ASN HA H -3.753 2.266 -3.612 1.00 . A A . 16 ASN HA 1 1 8 3285 1 1 16 ASN HB2 H -1.858 1.707 -1.815 1.00 . A A . 16 ASN HB2 1 1 8 3286 1 1 16 ASN HB3 H -3.171 0.771 -1.130 1.00 . A A . 16 ASN HB3 1 1 8 3287 1 1 16 ASN HD21 H -1.296 1.317 -4.040 1.00 . A A . 16 ASN HD21 1 1 8 3288 1 1 16 ASN HD22 H -1.494 -0.269 -4.693 1.00 . A A . 16 ASN HD22 1 1 8 3289 1 1 16 ASN N N -3.400 3.528 -2.026 1.00 . A A . 16 ASN N 1 1 8 3290 1 1 16 ASN ND2 N -1.684 0.416 -4.023 1.00 . A A . 16 ASN ND2 1 1 8 3291 1 1 16 ASN O O -5.673 2.288 -1.042 1.00 . A A . 16 ASN O 1 1 8 3292 1 1 16 ASN OD1 O -3.045 -0.989 -2.927 1.00 . A A . 16 ASN OD1 1 1 8 3293 1 1 17 GLN C C -7.277 -0.265 -1.348 1.00 . A A . 17 GLN C 1 1 8 3294 1 1 17 GLN CA C -7.237 0.610 -2.602 1.00 . A A . 17 GLN CA 1 1 8 3295 1 1 17 GLN CB C -7.820 -0.147 -3.787 1.00 . A A . 17 GLN CB 1 1 8 3296 1 1 17 GLN CD C -9.886 1.206 -4.325 1.00 . A A . 17 GLN CD 1 1 8 3297 1 1 17 GLN CG C -8.522 0.745 -4.799 1.00 . A A . 17 GLN CG 1 1 8 3298 1 1 17 GLN H H -5.450 0.734 -3.728 1.00 . A A . 17 GLN H 1 1 8 3299 1 1 17 GLN HA H -7.831 1.486 -2.434 1.00 . A A . 17 GLN HA 1 1 8 3300 1 1 17 GLN HB2 H -7.017 -0.652 -4.287 1.00 . A A . 17 GLN HB2 1 1 8 3301 1 1 17 GLN HB3 H -8.528 -0.878 -3.426 1.00 . A A . 17 GLN HB3 1 1 8 3302 1 1 17 GLN HE21 H -9.207 3.061 -4.098 1.00 . A A . 17 GLN HE21 1 1 8 3303 1 1 17 GLN HE22 H -10.870 2.818 -3.699 1.00 . A A . 17 GLN HE22 1 1 8 3304 1 1 17 GLN HG2 H -7.909 1.614 -4.979 1.00 . A A . 17 GLN HG2 1 1 8 3305 1 1 17 GLN HG3 H -8.644 0.195 -5.720 1.00 . A A . 17 GLN HG3 1 1 8 3306 1 1 17 GLN N N -5.878 1.046 -2.905 1.00 . A A . 17 GLN N 1 1 8 3307 1 1 17 GLN NE2 N -9.999 2.492 -4.008 1.00 . A A . 17 GLN NE2 1 1 8 3308 1 1 17 GLN O O -6.248 -0.772 -0.903 1.00 . A A . 17 GLN O 1 1 8 3309 1 1 17 GLN OE1 O -10.828 0.418 -4.244 1.00 . A A . 17 GLN OE1 1 1 8 3310 1 1 18 PRO C C -8.533 -2.760 0.191 1.00 . A A . 18 PRO C 1 1 8 3311 1 1 18 PRO CA C -8.647 -1.260 0.454 1.00 . A A . 18 PRO CA 1 1 8 3312 1 1 18 PRO CB C -10.063 -0.909 0.909 1.00 . A A . 18 PRO CB 1 1 8 3313 1 1 18 PRO CD C -9.750 0.129 -1.222 1.00 . A A . 18 PRO CD 1 1 8 3314 1 1 18 PRO CG C -10.776 -0.529 -0.340 1.00 . A A . 18 PRO CG 1 1 8 3315 1 1 18 PRO HA H -7.941 -0.977 1.221 1.00 . A A . 18 PRO HA 1 1 8 3316 1 1 18 PRO HB2 H -10.517 -1.771 1.378 1.00 . A A . 18 PRO HB2 1 1 8 3317 1 1 18 PRO HB3 H -10.028 -0.089 1.609 1.00 . A A . 18 PRO HB3 1 1 8 3318 1 1 18 PRO HD2 H -9.930 -0.119 -2.256 1.00 . A A . 18 PRO HD2 1 1 8 3319 1 1 18 PRO HD3 H -9.762 1.200 -1.082 1.00 . A A . 18 PRO HD3 1 1 8 3320 1 1 18 PRO HG2 H -11.173 -1.411 -0.820 1.00 . A A . 18 PRO HG2 1 1 8 3321 1 1 18 PRO HG3 H -11.573 0.165 -0.111 1.00 . A A . 18 PRO HG3 1 1 8 3322 1 1 18 PRO N N -8.473 -0.448 -0.757 1.00 . A A . 18 PRO N 1 1 8 3323 1 1 18 PRO O O -8.508 -3.559 1.127 1.00 . A A . 18 PRO O 1 1 8 3324 1 1 19 GLY C C -6.984 -4.897 -1.982 1.00 . A A . 19 GLY C 1 1 8 3325 1 1 19 GLY CA C -8.350 -4.546 -1.427 1.00 . A A . 19 GLY CA 1 1 8 3326 1 1 19 GLY H H -8.482 -2.465 -1.790 1.00 . A A . 19 GLY H 1 1 8 3327 1 1 19 GLY HA2 H -8.533 -5.140 -0.544 1.00 . A A . 19 GLY HA2 1 1 8 3328 1 1 19 GLY HA3 H -9.099 -4.784 -2.169 1.00 . A A . 19 GLY HA3 1 1 8 3329 1 1 19 GLY N N -8.462 -3.141 -1.082 1.00 . A A . 19 GLY N 1 1 8 3330 1 1 19 GLY O O -6.630 -6.071 -2.087 1.00 . A A . 19 GLY O 1 1 8 3331 1 1 20 THR C C -3.829 -3.993 -1.789 1.00 . A A . 20 THR C 1 1 8 3332 1 1 20 THR CA C -4.883 -4.062 -2.884 1.00 . A A . 20 THR CA 1 1 8 3333 1 1 20 THR CB C -4.599 -2.996 -3.935 1.00 . A A . 20 THR CB 1 1 8 3334 1 1 20 THR CG2 C -5.085 -3.371 -5.311 1.00 . A A . 20 THR CG2 1 1 8 3335 1 1 20 THR H H -6.559 -2.962 -2.228 1.00 . A A . 20 THR H 1 1 8 3336 1 1 20 THR HA H -4.839 -5.035 -3.349 1.00 . A A . 20 THR HA 1 1 8 3337 1 1 20 THR HB H -3.533 -2.837 -3.991 1.00 . A A . 20 THR HB 1 1 8 3338 1 1 20 THR HG1 H -5.034 -1.114 -4.260 1.00 . A A . 20 THR HG1 1 1 8 3339 1 1 20 THR HG21 H -4.879 -2.563 -5.996 1.00 . A A . 20 THR HG21 1 1 8 3340 1 1 20 THR HG22 H -6.149 -3.555 -5.276 1.00 . A A . 20 THR HG22 1 1 8 3341 1 1 20 THR HG23 H -4.574 -4.263 -5.640 1.00 . A A . 20 THR HG23 1 1 8 3342 1 1 20 THR N N -6.218 -3.873 -2.336 1.00 . A A . 20 THR N 1 1 8 3343 1 1 20 THR O O -2.947 -3.139 -1.824 1.00 . A A . 20 THR O 1 1 8 3344 1 1 20 THR OG1 O -5.218 -1.771 -3.584 1.00 . A A . 20 THR OG1 1 1 8 3345 1 1 21 GLY C C -1.531 -4.775 -0.239 1.00 . A A . 21 GLY C 1 1 8 3346 1 1 21 GLY CA C -2.953 -4.911 0.264 1.00 . A A . 21 GLY CA 1 1 8 3347 1 1 21 GLY H H -4.641 -5.560 -0.841 1.00 . A A . 21 GLY H 1 1 8 3348 1 1 21 GLY HA2 H -3.166 -4.092 0.934 1.00 . A A . 21 GLY HA2 1 1 8 3349 1 1 21 GLY HA3 H -3.043 -5.835 0.804 1.00 . A A . 21 GLY HA3 1 1 8 3350 1 1 21 GLY N N -3.918 -4.898 -0.819 1.00 . A A . 21 GLY N 1 1 8 3351 1 1 21 GLY O O -0.672 -4.219 0.444 1.00 . A A . 21 GLY O 1 1 8 3352 1 1 22 HIS C C 0.309 -3.727 -2.442 1.00 . A A . 22 HIS C 1 1 8 3353 1 1 22 HIS CA C 0.034 -5.176 -2.040 1.00 . A A . 22 HIS CA 1 1 8 3354 1 1 22 HIS CB C 0.154 -6.125 -3.238 1.00 . A A . 22 HIS CB 1 1 8 3355 1 1 22 HIS CD2 C 1.277 -8.453 -3.020 1.00 . A A . 22 HIS CD2 1 1 8 3356 1 1 22 HIS CE1 C -0.354 -9.501 -1.997 1.00 . A A . 22 HIS CE1 1 1 8 3357 1 1 22 HIS CG C 0.268 -7.566 -2.851 1.00 . A A . 22 HIS CG 1 1 8 3358 1 1 22 HIS H H -2.015 -5.687 -1.953 1.00 . A A . 22 HIS H 1 1 8 3359 1 1 22 HIS HA H 0.748 -5.465 -1.285 1.00 . A A . 22 HIS HA 1 1 8 3360 1 1 22 HIS HB2 H -0.718 -6.017 -3.862 1.00 . A A . 22 HIS HB2 1 1 8 3361 1 1 22 HIS HB3 H 1.034 -5.863 -3.809 1.00 . A A . 22 HIS HB3 1 1 8 3362 1 1 22 HIS HD1 H -1.608 -7.884 -1.943 1.00 . A A . 22 HIS HD1 1 1 8 3363 1 1 22 HIS HD2 H 2.230 -8.258 -3.491 1.00 . A A . 22 HIS HD2 1 1 8 3364 1 1 22 HIS HE1 H -0.938 -10.269 -1.512 1.00 . A A . 22 HIS HE1 1 1 8 3365 1 1 22 HIS HE2 H 1.352 -10.495 -2.535 1.00 . A A . 22 HIS HE2 1 1 8 3366 1 1 22 HIS N N -1.287 -5.268 -1.447 1.00 . A A . 22 HIS N 1 1 8 3367 1 1 22 HIS ND1 N -0.740 -8.254 -2.207 1.00 . A A . 22 HIS ND1 1 1 8 3368 1 1 22 HIS NE2 N 0.865 -9.647 -2.480 1.00 . A A . 22 HIS NE2 1 1 8 3369 1 1 22 HIS O O 0.453 -2.873 -1.579 1.00 . A A . 22 HIS O 1 1 8 3370 1 1 23 CYS C C 0.747 -2.026 -5.718 1.00 . A A . 23 CYS C 1 1 8 3371 1 1 23 CYS CA C 0.598 -2.081 -4.203 1.00 . A A . 23 CYS CA 1 1 8 3372 1 1 23 CYS CB C 1.841 -1.485 -3.544 1.00 . A A . 23 CYS CB 1 1 8 3373 1 1 23 CYS H H 0.237 -4.148 -4.396 1.00 . A A . 23 CYS H 1 1 8 3374 1 1 23 CYS HA H -0.259 -1.491 -3.921 1.00 . A A . 23 CYS HA 1 1 8 3375 1 1 23 CYS HB2 H 2.184 -2.143 -2.767 1.00 . A A . 23 CYS HB2 1 1 8 3376 1 1 23 CYS HB3 H 2.614 -1.386 -4.280 1.00 . A A . 23 CYS HB3 1 1 8 3377 1 1 23 CYS N N 0.365 -3.442 -3.740 1.00 . A A . 23 CYS N 1 1 8 3378 1 1 23 CYS O O 1.158 -2.998 -6.351 1.00 . A A . 23 CYS O 1 1 8 3379 1 1 23 CYS SG S 1.566 0.145 -2.814 1.00 . A A . 23 CYS SG 1 1 8 3380 1 1 24 GLU C C 1.736 0.217 -8.034 1.00 . A A . 24 GLU C 1 1 8 3381 1 1 24 GLU CA C 0.532 -0.666 -7.721 1.00 . A A . 24 GLU CA 1 1 8 3382 1 1 24 GLU CB C -0.748 -0.030 -8.268 1.00 . A A . 24 GLU CB 1 1 8 3383 1 1 24 GLU CD C -1.396 -0.807 -10.582 1.00 . A A . 24 GLU CD 1 1 8 3384 1 1 24 GLU CG C -1.597 -0.985 -9.090 1.00 . A A . 24 GLU CG 1 1 8 3385 1 1 24 GLU H H 0.116 -0.132 -5.722 1.00 . A A . 24 GLU H 1 1 8 3386 1 1 24 GLU HA H 0.675 -1.629 -8.185 1.00 . A A . 24 GLU HA 1 1 8 3387 1 1 24 GLU HB2 H -1.342 0.324 -7.439 1.00 . A A . 24 GLU HB2 1 1 8 3388 1 1 24 GLU HB3 H -0.483 0.811 -8.893 1.00 . A A . 24 GLU HB3 1 1 8 3389 1 1 24 GLU HG2 H -1.336 -1.998 -8.826 1.00 . A A . 24 GLU HG2 1 1 8 3390 1 1 24 GLU HG3 H -2.638 -0.810 -8.859 1.00 . A A . 24 GLU HG3 1 1 8 3391 1 1 24 GLU N N 0.424 -0.871 -6.286 1.00 . A A . 24 GLU N 1 1 8 3392 1 1 24 GLU O O 1.781 0.881 -9.069 1.00 . A A . 24 GLU O 1 1 8 3393 1 1 24 GLU OE1 O -0.297 -1.136 -11.076 1.00 . A A . 24 GLU OE1 1 1 8 3394 1 1 24 GLU OE2 O -2.338 -0.340 -11.257 1.00 . A A . 24 GLU OE2 1 1 8 3395 1 1 25 MET C C 5.143 0.163 -7.002 1.00 . A A . 25 MET C 1 1 8 3396 1 1 25 MET CA C 3.915 1.010 -7.299 1.00 . A A . 25 MET CA 1 1 8 3397 1 1 25 MET CB C 3.883 2.235 -6.383 1.00 . A A . 25 MET CB 1 1 8 3398 1 1 25 MET CE C 3.377 5.015 -9.400 1.00 . A A . 25 MET CE 1 1 8 3399 1 1 25 MET CG C 3.970 3.555 -7.129 1.00 . A A . 25 MET CG 1 1 8 3400 1 1 25 MET H H 2.620 -0.337 -6.321 1.00 . A A . 25 MET H 1 1 8 3401 1 1 25 MET HA H 3.956 1.338 -8.326 1.00 . A A . 25 MET HA 1 1 8 3402 1 1 25 MET HB2 H 2.962 2.225 -5.819 1.00 . A A . 25 MET HB2 1 1 8 3403 1 1 25 MET HB3 H 4.715 2.179 -5.697 1.00 . A A . 25 MET HB3 1 1 8 3404 1 1 25 MET HE1 H 4.444 5.066 -9.237 1.00 . A A . 25 MET HE1 1 1 8 3405 1 1 25 MET HE2 H 2.929 5.966 -9.153 1.00 . A A . 25 MET HE2 1 1 8 3406 1 1 25 MET HE3 H 3.184 4.787 -10.445 1.00 . A A . 25 MET HE3 1 1 8 3407 1 1 25 MET HG2 H 3.880 4.363 -6.417 1.00 . A A . 25 MET HG2 1 1 8 3408 1 1 25 MET HG3 H 4.931 3.614 -7.620 1.00 . A A . 25 MET HG3 1 1 8 3409 1 1 25 MET N N 2.711 0.217 -7.128 1.00 . A A . 25 MET N 1 1 8 3410 1 1 25 MET O O 5.980 -0.058 -7.877 1.00 . A A . 25 MET O 1 1 8 3411 1 1 25 MET SD S 2.676 3.738 -8.371 1.00 . A A . 25 MET SD 1 1 8 3412 1 1 26 CYS C C 6.132 -2.605 -5.783 1.00 . A A . 26 CYS C 1 1 8 3413 1 1 26 CYS CA C 6.366 -1.150 -5.380 1.00 . A A . 26 CYS CA 1 1 8 3414 1 1 26 CYS CB C 6.605 -1.057 -3.875 1.00 . A A . 26 CYS CB 1 1 8 3415 1 1 26 CYS H H 4.547 -0.122 -5.103 1.00 . A A . 26 CYS H 1 1 8 3416 1 1 26 CYS HA H 7.240 -0.785 -5.895 1.00 . A A . 26 CYS HA 1 1 8 3417 1 1 26 CYS HB2 H 7.209 -1.886 -3.580 1.00 . A A . 26 CYS HB2 1 1 8 3418 1 1 26 CYS HB3 H 7.126 -0.138 -3.655 1.00 . A A . 26 CYS HB3 1 1 8 3419 1 1 26 CYS N N 5.244 -0.321 -5.766 1.00 . A A . 26 CYS N 1 1 8 3420 1 1 26 CYS O O 6.993 -3.226 -6.405 1.00 . A A . 26 CYS O 1 1 8 3421 1 1 26 CYS SG S 5.112 -1.103 -2.859 1.00 . A A . 26 CYS SG 1 1 8 3422 1 1 27 SER C C 4.879 -5.379 -4.465 1.00 . A A . 27 SER C 1 1 8 3423 1 1 27 SER CA C 4.593 -4.529 -5.686 1.00 . A A . 27 SER CA 1 1 8 3424 1 1 27 SER CB C 5.337 -5.084 -6.902 1.00 . A A . 27 SER CB 1 1 8 3425 1 1 27 SER H H 4.343 -2.588 -4.884 1.00 . A A . 27 SER H 1 1 8 3426 1 1 27 SER HA H 3.534 -4.550 -5.883 1.00 . A A . 27 SER HA 1 1 8 3427 1 1 27 SER HB2 H 5.368 -4.330 -7.672 1.00 . A A . 27 SER HB2 1 1 8 3428 1 1 27 SER HB3 H 6.342 -5.349 -6.611 1.00 . A A . 27 SER HB3 1 1 8 3429 1 1 27 SER HG H 3.743 -6.081 -7.452 1.00 . A A . 27 SER HG 1 1 8 3430 1 1 27 SER N N 4.968 -3.140 -5.400 1.00 . A A . 27 SER N 1 1 8 3431 1 1 27 SER O O 5.292 -6.534 -4.564 1.00 . A A . 27 SER O 1 1 8 3432 1 1 27 SER OG O 4.690 -6.236 -7.414 1.00 . A A . 27 SER OG 1 1 8 3433 1 1 28 LEU C C 3.629 -5.432 -1.212 1.00 . A A . 28 LEU C 1 1 8 3434 1 1 28 LEU CA C 4.909 -5.402 -2.038 1.00 . A A . 28 LEU CA 1 1 8 3435 1 1 28 LEU CB C 5.986 -4.617 -1.308 1.00 . A A . 28 LEU CB 1 1 8 3436 1 1 28 LEU CD1 C 8.408 -4.190 -0.837 1.00 . A A . 28 LEU CD1 1 1 8 3437 1 1 28 LEU CD2 C 7.543 -6.535 -0.870 1.00 . A A . 28 LEU CD2 1 1 8 3438 1 1 28 LEU CG C 7.407 -5.145 -1.471 1.00 . A A . 28 LEU CG 1 1 8 3439 1 1 28 LEU H H 4.358 -3.844 -3.313 1.00 . A A . 28 LEU H 1 1 8 3440 1 1 28 LEU HA H 5.252 -6.410 -2.209 1.00 . A A . 28 LEU HA 1 1 8 3441 1 1 28 LEU HB2 H 5.962 -3.607 -1.677 1.00 . A A . 28 LEU HB2 1 1 8 3442 1 1 28 LEU HB3 H 5.739 -4.596 -0.273 1.00 . A A . 28 LEU HB3 1 1 8 3443 1 1 28 LEU HD11 H 7.934 -3.667 -0.018 1.00 . A A . 28 LEU HD11 1 1 8 3444 1 1 28 LEU HD12 H 8.735 -3.473 -1.576 1.00 . A A . 28 LEU HD12 1 1 8 3445 1 1 28 LEU HD13 H 9.258 -4.748 -0.470 1.00 . A A . 28 LEU HD13 1 1 8 3446 1 1 28 LEU HD21 H 7.530 -6.466 0.207 1.00 . A A . 28 LEU HD21 1 1 8 3447 1 1 28 LEU HD22 H 8.479 -6.975 -1.190 1.00 . A A . 28 LEU HD22 1 1 8 3448 1 1 28 LEU HD23 H 6.724 -7.155 -1.202 1.00 . A A . 28 LEU HD23 1 1 8 3449 1 1 28 LEU HG H 7.630 -5.210 -2.526 1.00 . A A . 28 LEU HG 1 1 8 3450 1 1 28 LEU N N 4.671 -4.768 -3.309 1.00 . A A . 28 LEU N 1 1 8 3451 1 1 28 LEU O O 2.642 -4.797 -1.568 1.00 . A A . 28 LEU O 1 1 8 3452 1 1 29 PRO C C 2.317 -5.073 1.708 1.00 . A A . 29 PRO C 1 1 8 3453 1 1 29 PRO CA C 2.478 -6.283 0.794 1.00 . A A . 29 PRO CA 1 1 8 3454 1 1 29 PRO CB C 2.799 -7.532 1.610 1.00 . A A . 29 PRO CB 1 1 8 3455 1 1 29 PRO CD C 4.789 -6.939 0.399 1.00 . A A . 29 PRO CD 1 1 8 3456 1 1 29 PRO CG C 4.289 -7.568 1.675 1.00 . A A . 29 PRO CG 1 1 8 3457 1 1 29 PRO HA H 1.566 -6.438 0.235 1.00 . A A . 29 PRO HA 1 1 8 3458 1 1 29 PRO HB2 H 2.361 -7.446 2.594 1.00 . A A . 29 PRO HB2 1 1 8 3459 1 1 29 PRO HB3 H 2.407 -8.404 1.109 1.00 . A A . 29 PRO HB3 1 1 8 3460 1 1 29 PRO HD2 H 5.624 -6.284 0.600 1.00 . A A . 29 PRO HD2 1 1 8 3461 1 1 29 PRO HD3 H 5.072 -7.698 -0.314 1.00 . A A . 29 PRO HD3 1 1 8 3462 1 1 29 PRO HG2 H 4.631 -7.001 2.529 1.00 . A A . 29 PRO HG2 1 1 8 3463 1 1 29 PRO HG3 H 4.628 -8.590 1.745 1.00 . A A . 29 PRO HG3 1 1 8 3464 1 1 29 PRO N N 3.638 -6.167 -0.093 1.00 . A A . 29 PRO N 1 1 8 3465 1 1 29 PRO O O 3.265 -4.322 1.936 1.00 . A A . 29 PRO O 1 1 8 3466 1 1 30 ARG C C 1.494 -3.972 4.483 1.00 . A A . 30 ARG C 1 1 8 3467 1 1 30 ARG CA C 0.820 -3.780 3.134 1.00 . A A . 30 ARG CA 1 1 8 3468 1 1 30 ARG CB C -0.689 -3.630 3.318 1.00 . A A . 30 ARG CB 1 1 8 3469 1 1 30 ARG CD C -2.669 -2.091 3.494 1.00 . A A . 30 ARG CD 1 1 8 3470 1 1 30 ARG CG C -1.171 -2.190 3.253 1.00 . A A . 30 ARG CG 1 1 8 3471 1 1 30 ARG CZ C -2.958 -2.597 5.888 1.00 . A A . 30 ARG CZ 1 1 8 3472 1 1 30 ARG H H 0.394 -5.529 2.026 1.00 . A A . 30 ARG H 1 1 8 3473 1 1 30 ARG HA H 1.213 -2.890 2.687 1.00 . A A . 30 ARG HA 1 1 8 3474 1 1 30 ARG HB2 H -1.188 -4.192 2.546 1.00 . A A . 30 ARG HB2 1 1 8 3475 1 1 30 ARG HB3 H -0.966 -4.035 4.277 1.00 . A A . 30 ARG HB3 1 1 8 3476 1 1 30 ARG HD2 H -2.918 -1.064 3.714 1.00 . A A . 30 ARG HD2 1 1 8 3477 1 1 30 ARG HD3 H -3.186 -2.402 2.598 1.00 . A A . 30 ARG HD3 1 1 8 3478 1 1 30 ARG HE H -3.525 -3.788 4.391 1.00 . A A . 30 ARG HE 1 1 8 3479 1 1 30 ARG HG2 H -0.657 -1.614 4.008 1.00 . A A . 30 ARG HG2 1 1 8 3480 1 1 30 ARG HG3 H -0.944 -1.790 2.276 1.00 . A A . 30 ARG HG3 1 1 8 3481 1 1 30 ARG HH11 H -2.072 -0.820 5.509 1.00 . A A . 30 ARG HH11 1 1 8 3482 1 1 30 ARG HH12 H -2.287 -1.199 7.184 1.00 . A A . 30 ARG HH12 1 1 8 3483 1 1 30 ARG HH21 H -3.809 -4.289 6.594 1.00 . A A . 30 ARG HH21 1 1 8 3484 1 1 30 ARG HH22 H -3.273 -3.168 7.801 1.00 . A A . 30 ARG HH22 1 1 8 3485 1 1 30 ARG N N 1.108 -4.893 2.237 1.00 . A A . 30 ARG N 1 1 8 3486 1 1 30 ARG NE N -3.104 -2.931 4.608 1.00 . A A . 30 ARG NE 1 1 8 3487 1 1 30 ARG NH1 N -2.392 -1.443 6.220 1.00 . A A . 30 ARG NH1 1 1 8 3488 1 1 30 ARG NH2 N -3.382 -3.419 6.839 1.00 . A A . 30 ARG NH2 1 1 8 3489 1 1 30 ARG O O 1.516 -3.067 5.317 1.00 . A A . 30 ARG O 1 1 8 3490 1 1 31 THR C C 3.873 -6.441 5.685 1.00 . A A . 31 THR C 1 1 8 3491 1 1 31 THR CA C 2.708 -5.485 5.932 1.00 . A A . 31 THR CA 1 1 8 3492 1 1 31 THR CB C 1.709 -6.104 6.913 1.00 . A A . 31 THR CB 1 1 8 3493 1 1 31 THR CG2 C 2.354 -6.721 8.136 1.00 . A A . 31 THR CG2 1 1 8 3494 1 1 31 THR H H 1.977 -5.831 3.984 1.00 . A A . 31 THR H 1 1 8 3495 1 1 31 THR HA H 3.090 -4.566 6.350 1.00 . A A . 31 THR HA 1 1 8 3496 1 1 31 THR HB H 1.157 -6.880 6.400 1.00 . A A . 31 THR HB 1 1 8 3497 1 1 31 THR HG1 H 1.245 -4.467 7.883 1.00 . A A . 31 THR HG1 1 1 8 3498 1 1 31 THR HG21 H 3.026 -7.510 7.830 1.00 . A A . 31 THR HG21 1 1 8 3499 1 1 31 THR HG22 H 1.589 -7.128 8.780 1.00 . A A . 31 THR HG22 1 1 8 3500 1 1 31 THR HG23 H 2.908 -5.964 8.671 1.00 . A A . 31 THR HG23 1 1 8 3501 1 1 31 THR N N 2.036 -5.158 4.687 1.00 . A A . 31 THR N 1 1 8 3502 1 1 31 THR O O 4.856 -6.443 6.425 1.00 . A A . 31 THR O 1 1 8 3503 1 1 31 THR OG1 O 0.784 -5.129 7.363 1.00 . A A . 31 THR OG1 1 1 8 3504 2 2 1 ZN ZN ZN 3.851 0.768 -2.416 1.00 . B A . 32 ZN ZN 1 1 9 3505 1 1 1 GLY C C -17.793 2.643 -5.195 1.00 . A A . 1 GLY C 1 1 9 3506 1 1 1 GLY CA C -17.694 1.854 -6.486 1.00 . A A . 1 GLY CA 1 1 9 3507 1 1 1 GLY H1 H -16.233 0.835 -7.575 1.00 . A A . 1 GLY H1 1 1 9 3508 1 1 1 GLY H2 H -16.508 0.195 -6.034 1.00 . A A . 1 GLY H2 1 1 9 3509 1 1 1 GLY H3 H -15.636 1.633 -6.208 1.00 . A A . 1 GLY H3 1 1 9 3510 1 1 1 GLY HA2 H -17.747 2.539 -7.319 1.00 . A A . 1 GLY HA2 1 1 9 3511 1 1 1 GLY HA3 H -18.530 1.172 -6.542 1.00 . A A . 1 GLY HA3 1 1 9 3512 1 1 1 GLY N N -16.429 1.075 -6.583 1.00 . A A . 1 GLY N 1 1 9 3513 1 1 1 GLY O O -17.782 3.873 -5.209 1.00 . A A . 1 GLY O 1 1 9 3514 1 1 2 SER C C -16.634 2.600 -2.071 1.00 . A A . 2 SER C 1 1 9 3515 1 1 2 SER CA C -17.989 2.574 -2.770 1.00 . A A . 2 SER CA 1 1 9 3516 1 1 2 SER CB C -19.012 1.844 -1.898 1.00 . A A . 2 SER CB 1 1 9 3517 1 1 2 SER H H -17.892 0.954 -4.129 1.00 . A A . 2 SER H 1 1 9 3518 1 1 2 SER HA H -18.320 3.589 -2.924 1.00 . A A . 2 SER HA 1 1 9 3519 1 1 2 SER HB2 H -19.698 1.300 -2.529 1.00 . A A . 2 SER HB2 1 1 9 3520 1 1 2 SER HB3 H -18.498 1.154 -1.246 1.00 . A A . 2 SER HB3 1 1 9 3521 1 1 2 SER HG H -19.152 3.402 -0.719 1.00 . A A . 2 SER HG 1 1 9 3522 1 1 2 SER N N -17.888 1.933 -4.075 1.00 . A A . 2 SER N 1 1 9 3523 1 1 2 SER O O -16.199 3.640 -1.576 1.00 . A A . 2 SER O 1 1 9 3524 1 1 2 SER OG O -19.750 2.758 -1.105 1.00 . A A . 2 SER OG 1 1 9 3525 1 1 3 THR C C -14.761 1.622 0.100 1.00 . A A . 3 THR C 1 1 9 3526 1 1 3 THR CA C -14.663 1.337 -1.395 1.00 . A A . 3 THR CA 1 1 9 3527 1 1 3 THR CB C -13.669 2.301 -2.046 1.00 . A A . 3 THR CB 1 1 9 3528 1 1 3 THR CG2 C -12.246 2.107 -1.569 1.00 . A A . 3 THR CG2 1 1 9 3529 1 1 3 THR H H -16.369 0.654 -2.446 1.00 . A A . 3 THR H 1 1 9 3530 1 1 3 THR HA H -14.312 0.326 -1.534 1.00 . A A . 3 THR HA 1 1 9 3531 1 1 3 THR HB H -13.961 3.316 -1.811 1.00 . A A . 3 THR HB 1 1 9 3532 1 1 3 THR HG1 H -13.502 3.001 -3.868 1.00 . A A . 3 THR HG1 1 1 9 3533 1 1 3 THR HG21 H -11.828 1.225 -2.032 1.00 . A A . 3 THR HG21 1 1 9 3534 1 1 3 THR HG22 H -12.240 1.985 -0.495 1.00 . A A . 3 THR HG22 1 1 9 3535 1 1 3 THR HG23 H -11.655 2.969 -1.837 1.00 . A A . 3 THR HG23 1 1 9 3536 1 1 3 THR N N -15.970 1.449 -2.034 1.00 . A A . 3 THR N 1 1 9 3537 1 1 3 THR O O -15.480 2.527 0.524 1.00 . A A . 3 THR O 1 1 9 3538 1 1 3 THR OG1 O -13.674 2.152 -3.454 1.00 . A A . 3 THR OG1 1 1 9 3539 1 1 4 SER C C -13.084 2.127 2.764 1.00 . A A . 4 SER C 1 1 9 3540 1 1 4 SER CA C -14.038 1.012 2.342 1.00 . A A . 4 SER CA 1 1 9 3541 1 1 4 SER CB C -13.652 -0.299 3.030 1.00 . A A . 4 SER CB 1 1 9 3542 1 1 4 SER H H -13.480 0.140 0.496 1.00 . A A . 4 SER H 1 1 9 3543 1 1 4 SER HA H -15.041 1.283 2.640 1.00 . A A . 4 SER HA 1 1 9 3544 1 1 4 SER HB2 H -13.501 -1.064 2.284 1.00 . A A . 4 SER HB2 1 1 9 3545 1 1 4 SER HB3 H -12.738 -0.157 3.589 1.00 . A A . 4 SER HB3 1 1 9 3546 1 1 4 SER HG H -14.679 -0.155 4.692 1.00 . A A . 4 SER HG 1 1 9 3547 1 1 4 SER N N -14.033 0.844 0.894 1.00 . A A . 4 SER N 1 1 9 3548 1 1 4 SER O O -13.513 3.230 3.102 1.00 . A A . 4 SER O 1 1 9 3549 1 1 4 SER OG O -14.668 -0.726 3.921 1.00 . A A . 4 SER OG 1 1 9 3550 1 1 5 ALA C C -9.416 2.445 2.532 1.00 . A A . 5 ALA C 1 1 9 3551 1 1 5 ALA CA C -10.775 2.808 3.120 1.00 . A A . 5 ALA CA 1 1 9 3552 1 1 5 ALA CB C -10.684 2.914 4.633 1.00 . A A . 5 ALA CB 1 1 9 3553 1 1 5 ALA H H -11.508 0.934 2.461 1.00 . A A . 5 ALA H 1 1 9 3554 1 1 5 ALA HA H -11.078 3.770 2.732 1.00 . A A . 5 ALA HA 1 1 9 3555 1 1 5 ALA HB1 H -11.646 3.200 5.032 1.00 . A A . 5 ALA HB1 1 1 9 3556 1 1 5 ALA HB2 H -9.947 3.658 4.898 1.00 . A A . 5 ALA HB2 1 1 9 3557 1 1 5 ALA HB3 H -10.394 1.958 5.045 1.00 . A A . 5 ALA HB3 1 1 9 3558 1 1 5 ALA N N -11.788 1.830 2.740 1.00 . A A . 5 ALA N 1 1 9 3559 1 1 5 ALA O O -8.885 1.366 2.788 1.00 . A A . 5 ALA O 1 1 9 3560 1 1 6 MET C C -6.442 3.236 2.157 1.00 . A A . 6 MET C 1 1 9 3561 1 1 6 MET CA C -7.558 3.138 1.124 1.00 . A A . 6 MET CA 1 1 9 3562 1 1 6 MET CB C -7.329 4.167 0.020 1.00 . A A . 6 MET CB 1 1 9 3563 1 1 6 MET CE C -8.932 6.146 -2.672 1.00 . A A . 6 MET CE 1 1 9 3564 1 1 6 MET CG C -8.147 3.910 -1.235 1.00 . A A . 6 MET CG 1 1 9 3565 1 1 6 MET H H -9.324 4.201 1.579 1.00 . A A . 6 MET H 1 1 9 3566 1 1 6 MET HA H -7.555 2.148 0.692 1.00 . A A . 6 MET HA 1 1 9 3567 1 1 6 MET HB2 H -7.584 5.141 0.399 1.00 . A A . 6 MET HB2 1 1 9 3568 1 1 6 MET HB3 H -6.286 4.161 -0.248 1.00 . A A . 6 MET HB3 1 1 9 3569 1 1 6 MET HE1 H -7.949 5.826 -2.986 1.00 . A A . 6 MET HE1 1 1 9 3570 1 1 6 MET HE2 H -8.875 7.150 -2.280 1.00 . A A . 6 MET HE2 1 1 9 3571 1 1 6 MET HE3 H -9.602 6.127 -3.519 1.00 . A A . 6 MET HE3 1 1 9 3572 1 1 6 MET HG2 H -7.506 4.023 -2.096 1.00 . A A . 6 MET HG2 1 1 9 3573 1 1 6 MET HG3 H -8.524 2.898 -1.201 1.00 . A A . 6 MET HG3 1 1 9 3574 1 1 6 MET N N -8.855 3.357 1.745 1.00 . A A . 6 MET N 1 1 9 3575 1 1 6 MET O O -6.692 3.518 3.329 1.00 . A A . 6 MET O 1 1 9 3576 1 1 6 MET SD S -9.542 5.041 -1.401 1.00 . A A . 6 MET SD 1 1 9 3577 1 1 7 TRP C C -2.882 3.784 1.942 1.00 . A A . 7 TRP C 1 1 9 3578 1 1 7 TRP CA C -4.062 3.093 2.608 1.00 . A A . 7 TRP CA 1 1 9 3579 1 1 7 TRP CB C -3.643 1.705 3.106 1.00 . A A . 7 TRP CB 1 1 9 3580 1 1 7 TRP CD1 C -4.292 -0.036 1.326 1.00 . A A . 7 TRP CD1 1 1 9 3581 1 1 7 TRP CD2 C -2.085 0.300 1.527 1.00 . A A . 7 TRP CD2 1 1 9 3582 1 1 7 TRP CE2 C -2.302 -0.676 0.535 1.00 . A A . 7 TRP CE2 1 1 9 3583 1 1 7 TRP CE3 C -0.771 0.675 1.824 1.00 . A A . 7 TRP CE3 1 1 9 3584 1 1 7 TRP CG C -3.371 0.699 2.021 1.00 . A A . 7 TRP CG 1 1 9 3585 1 1 7 TRP CH2 C 0.019 -0.895 0.153 1.00 . A A . 7 TRP CH2 1 1 9 3586 1 1 7 TRP CZ2 C -1.257 -1.281 -0.157 1.00 . A A . 7 TRP CZ2 1 1 9 3587 1 1 7 TRP CZ3 C 0.267 0.075 1.133 1.00 . A A . 7 TRP CZ3 1 1 9 3588 1 1 7 TRP H H -5.073 2.805 0.767 1.00 . A A . 7 TRP H 1 1 9 3589 1 1 7 TRP HA H -4.361 3.684 3.460 1.00 . A A . 7 TRP HA 1 1 9 3590 1 1 7 TRP HB2 H -2.740 1.805 3.690 1.00 . A A . 7 TRP HB2 1 1 9 3591 1 1 7 TRP HB3 H -4.423 1.314 3.738 1.00 . A A . 7 TRP HB3 1 1 9 3592 1 1 7 TRP HD1 H -5.361 0.034 1.470 1.00 . A A . 7 TRP HD1 1 1 9 3593 1 1 7 TRP HE1 H -4.098 -1.490 -0.190 1.00 . A A . 7 TRP HE1 1 1 9 3594 1 1 7 TRP HE3 H -0.559 1.421 2.576 1.00 . A A . 7 TRP HE3 1 1 9 3595 1 1 7 TRP HH2 H 0.864 -1.336 -0.365 1.00 . A A . 7 TRP HH2 1 1 9 3596 1 1 7 TRP HZ2 H -1.433 -2.036 -0.908 1.00 . A A . 7 TRP HZ2 1 1 9 3597 1 1 7 TRP HZ3 H 1.287 0.351 1.349 1.00 . A A . 7 TRP HZ3 1 1 9 3598 1 1 7 TRP N N -5.211 3.014 1.713 1.00 . A A . 7 TRP N 1 1 9 3599 1 1 7 TRP NE1 N -3.655 -0.866 0.429 1.00 . A A . 7 TRP NE1 1 1 9 3600 1 1 7 TRP O O -2.811 3.887 0.718 1.00 . A A . 7 TRP O 1 1 9 3601 1 1 8 ALA C C 0.468 4.058 2.487 1.00 . A A . 8 ALA C 1 1 9 3602 1 1 8 ALA CA C -0.763 4.934 2.286 1.00 . A A . 8 ALA CA 1 1 9 3603 1 1 8 ALA CB C -0.589 6.268 2.997 1.00 . A A . 8 ALA CB 1 1 9 3604 1 1 8 ALA H H -2.079 4.126 3.735 1.00 . A A . 8 ALA H 1 1 9 3605 1 1 8 ALA HA H -0.892 5.125 1.228 1.00 . A A . 8 ALA HA 1 1 9 3606 1 1 8 ALA HB1 H 0.318 6.743 2.655 1.00 . A A . 8 ALA HB1 1 1 9 3607 1 1 8 ALA HB2 H -0.529 6.102 4.062 1.00 . A A . 8 ALA HB2 1 1 9 3608 1 1 8 ALA HB3 H -1.434 6.904 2.779 1.00 . A A . 8 ALA HB3 1 1 9 3609 1 1 8 ALA N N -1.956 4.251 2.769 1.00 . A A . 8 ALA N 1 1 9 3610 1 1 8 ALA O O 0.832 3.731 3.616 1.00 . A A . 8 ALA O 1 1 9 3611 1 1 9 CYS C C 3.451 3.545 2.086 1.00 . A A . 9 CYS C 1 1 9 3612 1 1 9 CYS CA C 2.279 2.827 1.437 1.00 . A A . 9 CYS CA 1 1 9 3613 1 1 9 CYS CB C 2.665 2.373 0.032 1.00 . A A . 9 CYS CB 1 1 9 3614 1 1 9 CYS H H 0.761 3.963 0.515 1.00 . A A . 9 CYS H 1 1 9 3615 1 1 9 CYS HA H 2.034 1.960 2.029 1.00 . A A . 9 CYS HA 1 1 9 3616 1 1 9 CYS HB2 H 1.778 2.036 -0.489 1.00 . A A . 9 CYS HB2 1 1 9 3617 1 1 9 CYS HB3 H 3.094 3.207 -0.502 1.00 . A A . 9 CYS HB3 1 1 9 3618 1 1 9 CYS N N 1.099 3.673 1.385 1.00 . A A . 9 CYS N 1 1 9 3619 1 1 9 CYS O O 3.479 4.774 2.159 1.00 . A A . 9 CYS O 1 1 9 3620 1 1 9 CYS SG S 3.867 1.020 -0.001 1.00 . A A . 9 CYS SG 1 1 9 3621 1 1 10 GLN C C 6.861 2.967 2.391 1.00 . A A . 10 GLN C 1 1 9 3622 1 1 10 GLN CA C 5.605 3.328 3.182 1.00 . A A . 10 GLN CA 1 1 9 3623 1 1 10 GLN CB C 5.729 2.825 4.622 1.00 . A A . 10 GLN CB 1 1 9 3624 1 1 10 GLN CD C 4.488 0.694 5.167 1.00 . A A . 10 GLN CD 1 1 9 3625 1 1 10 GLN CG C 5.803 1.311 4.733 1.00 . A A . 10 GLN CG 1 1 9 3626 1 1 10 GLN H H 4.345 1.796 2.456 1.00 . A A . 10 GLN H 1 1 9 3627 1 1 10 GLN HA H 5.493 4.402 3.190 1.00 . A A . 10 GLN HA 1 1 9 3628 1 1 10 GLN HB2 H 6.624 3.241 5.059 1.00 . A A . 10 GLN HB2 1 1 9 3629 1 1 10 GLN HB3 H 4.872 3.165 5.184 1.00 . A A . 10 GLN HB3 1 1 9 3630 1 1 10 GLN HE21 H 4.192 -0.022 3.335 1.00 . A A . 10 GLN HE21 1 1 9 3631 1 1 10 GLN HE22 H 2.956 -0.378 4.489 1.00 . A A . 10 GLN HE22 1 1 9 3632 1 1 10 GLN HG2 H 6.073 0.905 3.770 1.00 . A A . 10 GLN HG2 1 1 9 3633 1 1 10 GLN HG3 H 6.561 1.053 5.458 1.00 . A A . 10 GLN HG3 1 1 9 3634 1 1 10 GLN N N 4.423 2.768 2.548 1.00 . A A . 10 GLN N 1 1 9 3635 1 1 10 GLN NE2 N 3.810 0.032 4.236 1.00 . A A . 10 GLN NE2 1 1 9 3636 1 1 10 GLN O O 7.929 2.757 2.964 1.00 . A A . 10 GLN O 1 1 9 3637 1 1 10 GLN OE1 O 4.085 0.811 6.324 1.00 . A A . 10 GLN OE1 1 1 9 3638 1 1 11 HIS C C 7.813 3.495 -1.021 1.00 . A A . 11 HIS C 1 1 9 3639 1 1 11 HIS CA C 7.842 2.583 0.194 1.00 . A A . 11 HIS CA 1 1 9 3640 1 1 11 HIS CB C 7.777 1.118 -0.244 1.00 . A A . 11 HIS CB 1 1 9 3641 1 1 11 HIS CD2 C 10.101 0.015 0.025 1.00 . A A . 11 HIS CD2 1 1 9 3642 1 1 11 HIS CE1 C 10.698 0.002 -2.084 1.00 . A A . 11 HIS CE1 1 1 9 3643 1 1 11 HIS CG C 9.094 0.566 -0.685 1.00 . A A . 11 HIS CG 1 1 9 3644 1 1 11 HIS H H 5.846 3.093 0.666 1.00 . A A . 11 HIS H 1 1 9 3645 1 1 11 HIS HA H 8.757 2.753 0.741 1.00 . A A . 11 HIS HA 1 1 9 3646 1 1 11 HIS HB2 H 7.426 0.519 0.582 1.00 . A A . 11 HIS HB2 1 1 9 3647 1 1 11 HIS HB3 H 7.085 1.027 -1.069 1.00 . A A . 11 HIS HB3 1 1 9 3648 1 1 11 HIS HD1 H 8.984 0.876 -2.766 1.00 . A A . 11 HIS HD1 1 1 9 3649 1 1 11 HIS HD2 H 10.133 -0.132 1.097 1.00 . A A . 11 HIS HD2 1 1 9 3650 1 1 11 HIS HE1 H 11.268 -0.146 -2.990 1.00 . A A . 11 HIS HE1 1 1 9 3651 1 1 11 HIS HE2 H 11.979 -0.669 -0.631 1.00 . A A . 11 HIS HE2 1 1 9 3652 1 1 11 HIS N N 6.724 2.906 1.068 1.00 . A A . 11 HIS N 1 1 9 3653 1 1 11 HIS ND1 N 9.496 0.545 -2.004 1.00 . A A . 11 HIS ND1 1 1 9 3654 1 1 11 HIS NE2 N 11.085 -0.328 -0.867 1.00 . A A . 11 HIS NE2 1 1 9 3655 1 1 11 HIS O O 8.748 4.258 -1.265 1.00 . A A . 11 HIS O 1 1 9 3656 1 1 12 CYS C C 5.951 5.606 -2.504 1.00 . A A . 12 CYS C 1 1 9 3657 1 1 12 CYS CA C 6.532 4.264 -2.927 1.00 . A A . 12 CYS CA 1 1 9 3658 1 1 12 CYS CB C 5.602 3.578 -3.919 1.00 . A A . 12 CYS CB 1 1 9 3659 1 1 12 CYS H H 5.997 2.821 -1.506 1.00 . A A . 12 CYS H 1 1 9 3660 1 1 12 CYS HA H 7.496 4.422 -3.387 1.00 . A A . 12 CYS HA 1 1 9 3661 1 1 12 CYS HB2 H 5.326 4.289 -4.662 1.00 . A A . 12 CYS HB2 1 1 9 3662 1 1 12 CYS HB3 H 6.124 2.756 -4.386 1.00 . A A . 12 CYS HB3 1 1 9 3663 1 1 12 CYS N N 6.715 3.430 -1.762 1.00 . A A . 12 CYS N 1 1 9 3664 1 1 12 CYS O O 6.264 6.643 -3.083 1.00 . A A . 12 CYS O 1 1 9 3665 1 1 12 CYS SG S 4.075 2.931 -3.206 1.00 . A A . 12 CYS SG 1 1 9 3666 1 1 13 THR C C 3.223 7.149 -1.710 1.00 . A A . 13 THR C 1 1 9 3667 1 1 13 THR CA C 4.458 6.745 -0.907 1.00 . A A . 13 THR CA 1 1 9 3668 1 1 13 THR CB C 5.454 7.914 -0.782 1.00 . A A . 13 THR CB 1 1 9 3669 1 1 13 THR CG2 C 5.492 8.853 -1.976 1.00 . A A . 13 THR CG2 1 1 9 3670 1 1 13 THR H H 4.919 4.682 -1.067 1.00 . A A . 13 THR H 1 1 9 3671 1 1 13 THR HA H 4.130 6.476 0.086 1.00 . A A . 13 THR HA 1 1 9 3672 1 1 13 THR HB H 6.444 7.505 -0.653 1.00 . A A . 13 THR HB 1 1 9 3673 1 1 13 THR HG1 H 4.241 8.992 0.313 1.00 . A A . 13 THR HG1 1 1 9 3674 1 1 13 THR HG21 H 5.003 9.781 -1.719 1.00 . A A . 13 THR HG21 1 1 9 3675 1 1 13 THR HG22 H 4.985 8.398 -2.813 1.00 . A A . 13 THR HG22 1 1 9 3676 1 1 13 THR HG23 H 6.520 9.051 -2.243 1.00 . A A . 13 THR HG23 1 1 9 3677 1 1 13 THR N N 5.108 5.556 -1.470 1.00 . A A . 13 THR N 1 1 9 3678 1 1 13 THR O O 2.934 8.335 -1.880 1.00 . A A . 13 THR O 1 1 9 3679 1 1 13 THR OG1 O 5.154 8.698 0.358 1.00 . A A . 13 THR OG1 1 1 9 3680 1 1 14 PHE C C 0.075 5.790 -2.241 1.00 . A A . 14 PHE C 1 1 9 3681 1 1 14 PHE CA C 1.276 6.397 -2.947 1.00 . A A . 14 PHE CA 1 1 9 3682 1 1 14 PHE CB C 1.410 5.807 -4.349 1.00 . A A . 14 PHE CB 1 1 9 3683 1 1 14 PHE CD1 C -0.105 7.374 -5.594 1.00 . A A . 14 PHE CD1 1 1 9 3684 1 1 14 PHE CD2 C -0.541 5.032 -5.723 1.00 . A A . 14 PHE CD2 1 1 9 3685 1 1 14 PHE CE1 C -1.188 7.624 -6.415 1.00 . A A . 14 PHE CE1 1 1 9 3686 1 1 14 PHE CE2 C -1.625 5.276 -6.544 1.00 . A A . 14 PHE CE2 1 1 9 3687 1 1 14 PHE CG C 0.231 6.077 -5.239 1.00 . A A . 14 PHE CG 1 1 9 3688 1 1 14 PHE CZ C -1.949 6.574 -6.889 1.00 . A A . 14 PHE CZ 1 1 9 3689 1 1 14 PHE H H 2.754 5.233 -2.004 1.00 . A A . 14 PHE H 1 1 9 3690 1 1 14 PHE HA H 1.136 7.463 -3.024 1.00 . A A . 14 PHE HA 1 1 9 3691 1 1 14 PHE HB2 H 2.280 6.229 -4.820 1.00 . A A . 14 PHE HB2 1 1 9 3692 1 1 14 PHE HB3 H 1.532 4.739 -4.270 1.00 . A A . 14 PHE HB3 1 1 9 3693 1 1 14 PHE HD1 H 0.490 8.195 -5.224 1.00 . A A . 14 PHE HD1 1 1 9 3694 1 1 14 PHE HD2 H -0.288 4.018 -5.453 1.00 . A A . 14 PHE HD2 1 1 9 3695 1 1 14 PHE HE1 H -1.440 8.639 -6.684 1.00 . A A . 14 PHE HE1 1 1 9 3696 1 1 14 PHE HE2 H -2.219 4.453 -6.913 1.00 . A A . 14 PHE HE2 1 1 9 3697 1 1 14 PHE HZ H -2.797 6.766 -7.530 1.00 . A A . 14 PHE HZ 1 1 9 3698 1 1 14 PHE N N 2.486 6.154 -2.183 1.00 . A A . 14 PHE N 1 1 9 3699 1 1 14 PHE O O 0.220 4.971 -1.333 1.00 . A A . 14 PHE O 1 1 9 3700 1 1 15 MET C C -2.731 4.379 -2.760 1.00 . A A . 15 MET C 1 1 9 3701 1 1 15 MET CA C -2.342 5.680 -2.089 1.00 . A A . 15 MET CA 1 1 9 3702 1 1 15 MET CB C -3.469 6.705 -2.221 1.00 . A A . 15 MET CB 1 1 9 3703 1 1 15 MET CE C -6.645 8.328 -1.438 1.00 . A A . 15 MET CE 1 1 9 3704 1 1 15 MET CG C -4.433 6.707 -1.045 1.00 . A A . 15 MET CG 1 1 9 3705 1 1 15 MET H H -1.151 6.837 -3.401 1.00 . A A . 15 MET H 1 1 9 3706 1 1 15 MET HA H -2.162 5.478 -1.041 1.00 . A A . 15 MET HA 1 1 9 3707 1 1 15 MET HB2 H -3.036 7.692 -2.304 1.00 . A A . 15 MET HB2 1 1 9 3708 1 1 15 MET HB3 H -4.031 6.493 -3.119 1.00 . A A . 15 MET HB3 1 1 9 3709 1 1 15 MET HE1 H -7.384 8.741 -0.767 1.00 . A A . 15 MET HE1 1 1 9 3710 1 1 15 MET HE2 H -6.909 7.310 -1.680 1.00 . A A . 15 MET HE2 1 1 9 3711 1 1 15 MET HE3 H -6.611 8.917 -2.343 1.00 . A A . 15 MET HE3 1 1 9 3712 1 1 15 MET HG2 H -5.277 6.079 -1.288 1.00 . A A . 15 MET HG2 1 1 9 3713 1 1 15 MET HG3 H -3.925 6.306 -0.181 1.00 . A A . 15 MET HG3 1 1 9 3714 1 1 15 MET N N -1.109 6.190 -2.670 1.00 . A A . 15 MET N 1 1 9 3715 1 1 15 MET O O -2.394 4.138 -3.919 1.00 . A A . 15 MET O 1 1 9 3716 1 1 15 MET SD S -5.039 8.357 -0.646 1.00 . A A . 15 MET SD 1 1 9 3717 1 1 16 ASN C C -5.208 1.850 -2.078 1.00 . A A . 16 ASN C 1 1 9 3718 1 1 16 ASN CA C -3.797 2.229 -2.521 1.00 . A A . 16 ASN CA 1 1 9 3719 1 1 16 ASN CB C -2.793 1.205 -2.022 1.00 . A A . 16 ASN CB 1 1 9 3720 1 1 16 ASN CG C -2.523 0.111 -3.028 1.00 . A A . 16 ASN CG 1 1 9 3721 1 1 16 ASN H H -3.619 3.760 -1.085 1.00 . A A . 16 ASN H 1 1 9 3722 1 1 16 ASN HA H -3.760 2.263 -3.599 1.00 . A A . 16 ASN HA 1 1 9 3723 1 1 16 ASN HB2 H -1.861 1.704 -1.807 1.00 . A A . 16 ASN HB2 1 1 9 3724 1 1 16 ASN HB3 H -3.171 0.768 -1.118 1.00 . A A . 16 ASN HB3 1 1 9 3725 1 1 16 ASN HD21 H -1.304 1.316 -4.033 1.00 . A A . 16 ASN HD21 1 1 9 3726 1 1 16 ASN HD22 H -1.501 -0.271 -4.686 1.00 . A A . 16 ASN HD22 1 1 9 3727 1 1 16 ASN N N -3.406 3.525 -2.012 1.00 . A A . 16 ASN N 1 1 9 3728 1 1 16 ASN ND2 N -1.691 0.415 -4.015 1.00 . A A . 16 ASN ND2 1 1 9 3729 1 1 16 ASN O O -5.675 2.279 -1.025 1.00 . A A . 16 ASN O 1 1 9 3730 1 1 16 ASN OD1 O -3.048 -0.992 -2.918 1.00 . A A . 16 ASN OD1 1 1 9 3731 1 1 17 GLN C C -7.276 -0.276 -1.335 1.00 . A A . 17 GLN C 1 1 9 3732 1 1 17 GLN CA C -7.241 0.603 -2.586 1.00 . A A . 17 GLN CA 1 1 9 3733 1 1 17 GLN CB C -7.823 -0.153 -3.773 1.00 . A A . 17 GLN CB 1 1 9 3734 1 1 17 GLN CD C -9.893 1.199 -4.304 1.00 . A A . 17 GLN CD 1 1 9 3735 1 1 17 GLN CG C -8.529 0.741 -4.781 1.00 . A A . 17 GLN CG 1 1 9 3736 1 1 17 GLN H H -5.454 0.731 -3.717 1.00 . A A . 17 GLN H 1 1 9 3737 1 1 17 GLN HA H -7.835 1.477 -2.415 1.00 . A A . 17 GLN HA 1 1 9 3738 1 1 17 GLN HB2 H -7.022 -0.655 -4.276 1.00 . A A . 17 GLN HB2 1 1 9 3739 1 1 17 GLN HB3 H -8.530 -0.884 -3.413 1.00 . A A . 17 GLN HB3 1 1 9 3740 1 1 17 GLN HE21 H -9.218 3.055 -4.074 1.00 . A A . 17 GLN HE21 1 1 9 3741 1 1 17 GLN HE22 H -10.879 2.806 -3.673 1.00 . A A . 17 GLN HE22 1 1 9 3742 1 1 17 GLN HG2 H -7.917 1.612 -4.959 1.00 . A A . 17 GLN HG2 1 1 9 3743 1 1 17 GLN HG3 H -8.652 0.194 -5.704 1.00 . A A . 17 GLN HG3 1 1 9 3744 1 1 17 GLN N N -5.882 1.041 -2.890 1.00 . A A . 17 GLN N 1 1 9 3745 1 1 17 GLN NE2 N -10.008 2.484 -3.985 1.00 . A A . 17 GLN NE2 1 1 9 3746 1 1 17 GLN O O -6.245 -0.783 -0.894 1.00 . A A . 17 GLN O 1 1 9 3747 1 1 17 GLN OE1 O -10.833 0.408 -4.223 1.00 . A A . 17 GLN OE1 1 1 9 3748 1 1 18 PRO C C -8.527 -2.776 0.200 1.00 . A A . 18 PRO C 1 1 9 3749 1 1 18 PRO CA C -8.641 -1.277 0.467 1.00 . A A . 18 PRO CA 1 1 9 3750 1 1 18 PRO CB C -10.057 -0.929 0.927 1.00 . A A . 18 PRO CB 1 1 9 3751 1 1 18 PRO CD C -9.749 0.115 -1.203 1.00 . A A . 18 PRO CD 1 1 9 3752 1 1 18 PRO CG C -10.774 -0.545 -0.320 1.00 . A A . 18 PRO CG 1 1 9 3753 1 1 18 PRO HA H -7.934 -0.996 1.233 1.00 . A A . 18 PRO HA 1 1 9 3754 1 1 18 PRO HB2 H -10.509 -1.793 1.393 1.00 . A A . 18 PRO HB2 1 1 9 3755 1 1 18 PRO HB3 H -10.022 -0.110 1.628 1.00 . A A . 18 PRO HB3 1 1 9 3756 1 1 18 PRO HD2 H -9.932 -0.131 -2.237 1.00 . A A . 18 PRO HD2 1 1 9 3757 1 1 18 PRO HD3 H -9.763 1.185 -1.060 1.00 . A A . 18 PRO HD3 1 1 9 3758 1 1 18 PRO HG2 H -11.171 -1.427 -0.802 1.00 . A A . 18 PRO HG2 1 1 9 3759 1 1 18 PRO HG3 H -11.570 0.147 -0.088 1.00 . A A . 18 PRO HG3 1 1 9 3760 1 1 18 PRO N N -8.471 -0.462 -0.743 1.00 . A A . 18 PRO N 1 1 9 3761 1 1 18 PRO O O -8.497 -3.578 1.134 1.00 . A A . 18 PRO O 1 1 9 3762 1 1 19 GLY C C -6.983 -4.907 -1.979 1.00 . A A . 19 GLY C 1 1 9 3763 1 1 19 GLY CA C -8.349 -4.558 -1.424 1.00 . A A . 19 GLY CA 1 1 9 3764 1 1 19 GLY H H -8.485 -2.476 -1.781 1.00 . A A . 19 GLY H 1 1 9 3765 1 1 19 GLY HA2 H -8.530 -5.154 -0.541 1.00 . A A . 19 GLY HA2 1 1 9 3766 1 1 19 GLY HA3 H -9.099 -4.795 -2.165 1.00 . A A . 19 GLY HA3 1 1 9 3767 1 1 19 GLY N N -8.461 -3.154 -1.073 1.00 . A A . 19 GLY N 1 1 9 3768 1 1 19 GLY O O -6.628 -6.080 -2.089 1.00 . A A . 19 GLY O 1 1 9 3769 1 1 20 THR C C -3.829 -4.000 -1.786 1.00 . A A . 20 THR C 1 1 9 3770 1 1 20 THR CA C -4.883 -4.067 -2.880 1.00 . A A . 20 THR CA 1 1 9 3771 1 1 20 THR CB C -4.601 -2.997 -3.928 1.00 . A A . 20 THR CB 1 1 9 3772 1 1 20 THR CG2 C -5.087 -3.370 -5.305 1.00 . A A . 20 THR CG2 1 1 9 3773 1 1 20 THR H H -6.559 -2.969 -2.220 1.00 . A A . 20 THR H 1 1 9 3774 1 1 20 THR HA H -4.838 -5.039 -3.349 1.00 . A A . 20 THR HA 1 1 9 3775 1 1 20 THR HB H -3.535 -2.837 -3.984 1.00 . A A . 20 THR HB 1 1 9 3776 1 1 20 THR HG1 H -5.039 -1.116 -4.248 1.00 . A A . 20 THR HG1 1 1 9 3777 1 1 20 THR HG21 H -4.859 -2.570 -5.993 1.00 . A A . 20 THR HG21 1 1 9 3778 1 1 20 THR HG22 H -6.154 -3.529 -5.277 1.00 . A A . 20 THR HG22 1 1 9 3779 1 1 20 THR HG23 H -4.594 -4.274 -5.626 1.00 . A A . 20 THR HG23 1 1 9 3780 1 1 20 THR N N -6.217 -3.881 -2.331 1.00 . A A . 20 THR N 1 1 9 3781 1 1 20 THR O O -2.948 -3.146 -1.818 1.00 . A A . 20 THR O 1 1 9 3782 1 1 20 THR OG1 O -5.222 -1.775 -3.574 1.00 . A A . 20 THR OG1 1 1 9 3783 1 1 21 GLY C C -1.529 -4.785 -0.238 1.00 . A A . 21 GLY C 1 1 9 3784 1 1 21 GLY CA C -2.950 -4.923 0.264 1.00 . A A . 21 GLY CA 1 1 9 3785 1 1 21 GLY H H -4.638 -5.571 -0.843 1.00 . A A . 21 GLY H 1 1 9 3786 1 1 21 GLY HA2 H -3.164 -4.106 0.937 1.00 . A A . 21 GLY HA2 1 1 9 3787 1 1 21 GLY HA3 H -3.039 -5.850 0.801 1.00 . A A . 21 GLY HA3 1 1 9 3788 1 1 21 GLY N N -3.916 -4.908 -0.819 1.00 . A A . 21 GLY N 1 1 9 3789 1 1 21 GLY O O -0.670 -4.230 0.445 1.00 . A A . 21 GLY O 1 1 9 3790 1 1 22 HIS C C 0.308 -3.730 -2.442 1.00 . A A . 22 HIS C 1 1 9 3791 1 1 22 HIS CA C 0.036 -5.179 -2.043 1.00 . A A . 22 HIS CA 1 1 9 3792 1 1 22 HIS CB C 0.157 -6.124 -3.242 1.00 . A A . 22 HIS CB 1 1 9 3793 1 1 22 HIS CD2 C 1.282 -8.452 -3.023 1.00 . A A . 22 HIS CD2 1 1 9 3794 1 1 22 HIS CE1 C -0.353 -9.504 -2.011 1.00 . A A . 22 HIS CE1 1 1 9 3795 1 1 22 HIS CG C 0.271 -7.568 -2.858 1.00 . A A . 22 HIS CG 1 1 9 3796 1 1 22 HIS H H -2.013 -5.691 -1.956 1.00 . A A . 22 HIS H 1 1 9 3797 1 1 22 HIS HA H 0.750 -5.469 -1.289 1.00 . A A . 22 HIS HA 1 1 9 3798 1 1 22 HIS HB2 H -0.716 -6.016 -3.867 1.00 . A A . 22 HIS HB2 1 1 9 3799 1 1 22 HIS HB3 H 1.037 -5.862 -3.812 1.00 . A A . 22 HIS HB3 1 1 9 3800 1 1 22 HIS HD1 H -1.609 -7.890 -1.960 1.00 . A A . 22 HIS HD1 1 1 9 3801 1 1 22 HIS HD2 H 2.237 -8.253 -3.490 1.00 . A A . 22 HIS HD2 1 1 9 3802 1 1 22 HIS HE1 H -0.937 -10.275 -1.531 1.00 . A A . 22 HIS HE1 1 1 9 3803 1 1 22 HIS HE2 H 1.359 -10.495 -2.543 1.00 . A A . 22 HIS HE2 1 1 9 3804 1 1 22 HIS N N -1.285 -5.273 -1.450 1.00 . A A . 22 HIS N 1 1 9 3805 1 1 22 HIS ND1 N -0.739 -8.258 -2.221 1.00 . A A . 22 HIS ND1 1 1 9 3806 1 1 22 HIS NE2 N 0.870 -9.648 -2.489 1.00 . A A . 22 HIS NE2 1 1 9 3807 1 1 22 HIS O O 0.453 -2.875 -1.577 1.00 . A A . 22 HIS O 1 1 9 3808 1 1 23 CYS C C 0.741 -2.021 -5.714 1.00 . A A . 23 CYS C 1 1 9 3809 1 1 23 CYS CA C 0.595 -2.079 -4.200 1.00 . A A . 23 CYS CA 1 1 9 3810 1 1 23 CYS CB C 1.838 -1.484 -3.542 1.00 . A A . 23 CYS CB 1 1 9 3811 1 1 23 CYS H H 0.235 -4.146 -4.396 1.00 . A A . 23 CYS H 1 1 9 3812 1 1 23 CYS HA H -0.262 -1.489 -3.914 1.00 . A A . 23 CYS HA 1 1 9 3813 1 1 23 CYS HB2 H 2.184 -2.145 -2.767 1.00 . A A . 23 CYS HB2 1 1 9 3814 1 1 23 CYS HB3 H 2.610 -1.382 -4.280 1.00 . A A . 23 CYS HB3 1 1 9 3815 1 1 23 CYS N N 0.362 -3.441 -3.739 1.00 . A A . 23 CYS N 1 1 9 3816 1 1 23 CYS O O 1.151 -2.991 -6.351 1.00 . A A . 23 CYS O 1 1 9 3817 1 1 23 CYS SG S 1.564 0.143 -2.806 1.00 . A A . 23 CYS SG 1 1 9 3818 1 1 24 GLU C C 1.726 0.227 -8.028 1.00 . A A . 24 GLU C 1 1 9 3819 1 1 24 GLU CA C 0.523 -0.656 -7.715 1.00 . A A . 24 GLU CA 1 1 9 3820 1 1 24 GLU CB C -0.758 -0.017 -8.258 1.00 . A A . 24 GLU CB 1 1 9 3821 1 1 24 GLU CD C -1.457 -0.748 -10.572 1.00 . A A . 24 GLU CD 1 1 9 3822 1 1 24 GLU CG C -1.611 -0.970 -9.080 1.00 . A A . 24 GLU CG 1 1 9 3823 1 1 24 GLU H H 0.110 -0.126 -5.712 1.00 . A A . 24 GLU H 1 1 9 3824 1 1 24 GLU HA H 0.663 -1.619 -8.181 1.00 . A A . 24 GLU HA 1 1 9 3825 1 1 24 GLU HB2 H -1.350 0.335 -7.427 1.00 . A A . 24 GLU HB2 1 1 9 3826 1 1 24 GLU HB3 H -0.494 0.824 -8.882 1.00 . A A . 24 GLU HB3 1 1 9 3827 1 1 24 GLU HG2 H -1.318 -1.984 -8.851 1.00 . A A . 24 GLU HG2 1 1 9 3828 1 1 24 GLU HG3 H -2.647 -0.826 -8.813 1.00 . A A . 24 GLU HG3 1 1 9 3829 1 1 24 GLU N N 0.417 -0.864 -6.279 1.00 . A A . 24 GLU N 1 1 9 3830 1 1 24 GLU O O 1.769 0.893 -9.062 1.00 . A A . 24 GLU O 1 1 9 3831 1 1 24 GLU OE1 O -0.470 -1.250 -11.149 1.00 . A A . 24 GLU OE1 1 1 9 3832 1 1 24 GLU OE2 O -2.326 -0.073 -11.164 1.00 . A A . 24 GLU OE2 1 1 9 3833 1 1 25 MET C C 5.135 0.167 -7.002 1.00 . A A . 25 MET C 1 1 9 3834 1 1 25 MET CA C 3.908 1.016 -7.295 1.00 . A A . 25 MET CA 1 1 9 3835 1 1 25 MET CB C 3.878 2.239 -6.376 1.00 . A A . 25 MET CB 1 1 9 3836 1 1 25 MET CE C 2.749 3.770 -9.608 1.00 . A A . 25 MET CE 1 1 9 3837 1 1 25 MET CG C 3.957 3.562 -7.121 1.00 . A A . 25 MET CG 1 1 9 3838 1 1 25 MET H H 2.613 -0.332 -6.318 1.00 . A A . 25 MET H 1 1 9 3839 1 1 25 MET HA H 3.947 1.345 -8.323 1.00 . A A . 25 MET HA 1 1 9 3840 1 1 25 MET HB2 H 2.961 2.225 -5.807 1.00 . A A . 25 MET HB2 1 1 9 3841 1 1 25 MET HB3 H 4.714 2.184 -5.696 1.00 . A A . 25 MET HB3 1 1 9 3842 1 1 25 MET HE1 H 1.828 3.775 -10.167 1.00 . A A . 25 MET HE1 1 1 9 3843 1 1 25 MET HE2 H 3.242 2.818 -9.734 1.00 . A A . 25 MET HE2 1 1 9 3844 1 1 25 MET HE3 H 3.395 4.559 -9.957 1.00 . A A . 25 MET HE3 1 1 9 3845 1 1 25 MET HG2 H 4.250 4.334 -6.427 1.00 . A A . 25 MET HG2 1 1 9 3846 1 1 25 MET HG3 H 4.701 3.477 -7.899 1.00 . A A . 25 MET HG3 1 1 9 3847 1 1 25 MET N N 2.703 0.223 -7.123 1.00 . A A . 25 MET N 1 1 9 3848 1 1 25 MET O O 5.970 -0.055 -7.879 1.00 . A A . 25 MET O 1 1 9 3849 1 1 25 MET SD S 2.386 4.029 -7.873 1.00 . A A . 25 MET SD 1 1 9 3850 1 1 26 CYS C C 6.126 -2.601 -5.788 1.00 . A A . 26 CYS C 1 1 9 3851 1 1 26 CYS CA C 6.361 -1.149 -5.382 1.00 . A A . 26 CYS CA 1 1 9 3852 1 1 26 CYS CB C 6.602 -1.058 -3.878 1.00 . A A . 26 CYS CB 1 1 9 3853 1 1 26 CYS H H 4.543 -0.118 -5.101 1.00 . A A . 26 CYS H 1 1 9 3854 1 1 26 CYS HA H 7.235 -0.782 -5.899 1.00 . A A . 26 CYS HA 1 1 9 3855 1 1 26 CYS HB2 H 7.205 -1.889 -3.586 1.00 . A A . 26 CYS HB2 1 1 9 3856 1 1 26 CYS HB3 H 7.127 -0.141 -3.657 1.00 . A A . 26 CYS HB3 1 1 9 3857 1 1 26 CYS N N 5.239 -0.318 -5.767 1.00 . A A . 26 CYS N 1 1 9 3858 1 1 26 CYS O O 6.984 -3.221 -6.416 1.00 . A A . 26 CYS O 1 1 9 3859 1 1 26 CYS SG S 5.111 -1.102 -2.860 1.00 . A A . 26 CYS SG 1 1 9 3860 1 1 27 SER C C 4.872 -5.378 -4.471 1.00 . A A . 27 SER C 1 1 9 3861 1 1 27 SER CA C 4.587 -4.526 -5.691 1.00 . A A . 27 SER CA 1 1 9 3862 1 1 27 SER CB C 5.329 -5.080 -6.907 1.00 . A A . 27 SER CB 1 1 9 3863 1 1 27 SER H H 4.340 -2.587 -4.882 1.00 . A A . 27 SER H 1 1 9 3864 1 1 27 SER HA H 3.527 -4.546 -5.887 1.00 . A A . 27 SER HA 1 1 9 3865 1 1 27 SER HB2 H 5.358 -4.325 -7.678 1.00 . A A . 27 SER HB2 1 1 9 3866 1 1 27 SER HB3 H 6.333 -5.345 -6.619 1.00 . A A . 27 SER HB3 1 1 9 3867 1 1 27 SER HG H 5.154 -6.547 -8.194 1.00 . A A . 27 SER HG 1 1 9 3868 1 1 27 SER N N 4.962 -3.138 -5.403 1.00 . A A . 27 SER N 1 1 9 3869 1 1 27 SER O O 5.283 -6.535 -4.573 1.00 . A A . 27 SER O 1 1 9 3870 1 1 27 SER OG O 4.680 -6.230 -7.422 1.00 . A A . 27 SER OG 1 1 9 3871 1 1 28 LEU C C 3.629 -5.433 -1.215 1.00 . A A . 28 LEU C 1 1 9 3872 1 1 28 LEU CA C 4.906 -5.407 -2.045 1.00 . A A . 28 LEU CA 1 1 9 3873 1 1 28 LEU CB C 5.988 -4.627 -1.316 1.00 . A A . 28 LEU CB 1 1 9 3874 1 1 28 LEU CD1 C 8.411 -4.208 -0.855 1.00 . A A . 28 LEU CD1 1 1 9 3875 1 1 28 LEU CD2 C 7.544 -6.553 -0.886 1.00 . A A . 28 LEU CD2 1 1 9 3876 1 1 28 LEU CG C 7.410 -5.161 -1.485 1.00 . A A . 28 LEU CG 1 1 9 3877 1 1 28 LEU H H 4.357 -3.845 -3.315 1.00 . A A . 28 LEU H 1 1 9 3878 1 1 28 LEU HA H 5.245 -6.414 -2.219 1.00 . A A . 28 LEU HA 1 1 9 3879 1 1 28 LEU HB2 H 5.965 -3.616 -1.682 1.00 . A A . 28 LEU HB2 1 1 9 3880 1 1 28 LEU HB3 H 5.745 -4.608 -0.280 1.00 . A A . 28 LEU HB3 1 1 9 3881 1 1 28 LEU HD11 H 8.740 -3.493 -1.595 1.00 . A A . 28 LEU HD11 1 1 9 3882 1 1 28 LEU HD12 H 9.259 -4.769 -0.488 1.00 . A A . 28 LEU HD12 1 1 9 3883 1 1 28 LEU HD13 H 7.948 -3.685 -0.033 1.00 . A A . 28 LEU HD13 1 1 9 3884 1 1 28 LEU HD21 H 8.479 -6.993 -1.207 1.00 . A A . 28 LEU HD21 1 1 9 3885 1 1 28 LEU HD22 H 6.723 -7.170 -1.217 1.00 . A A . 28 LEU HD22 1 1 9 3886 1 1 28 LEU HD23 H 7.526 -6.481 0.191 1.00 . A A . 28 LEU HD23 1 1 9 3887 1 1 28 LEU HG H 7.628 -5.226 -2.540 1.00 . A A . 28 LEU HG 1 1 9 3888 1 1 28 LEU N N 4.667 -4.770 -3.314 1.00 . A A . 28 LEU N 1 1 9 3889 1 1 28 LEU O O 2.644 -4.793 -1.566 1.00 . A A . 28 LEU O 1 1 9 3890 1 1 29 PRO C C 2.329 -5.082 1.714 1.00 . A A . 29 PRO C 1 1 9 3891 1 1 29 PRO CA C 2.480 -6.287 0.790 1.00 . A A . 29 PRO CA 1 1 9 3892 1 1 29 PRO CB C 2.796 -7.543 1.597 1.00 . A A . 29 PRO CB 1 1 9 3893 1 1 29 PRO CD C 4.787 -6.952 0.385 1.00 . A A . 29 PRO CD 1 1 9 3894 1 1 29 PRO CG C 4.285 -7.587 1.659 1.00 . A A . 29 PRO CG 1 1 9 3895 1 1 29 PRO HA H 1.565 -6.432 0.235 1.00 . A A . 29 PRO HA 1 1 9 3896 1 1 29 PRO HB2 H 2.361 -7.462 2.583 1.00 . A A . 29 PRO HB2 1 1 9 3897 1 1 29 PRO HB3 H 2.397 -8.411 1.092 1.00 . A A . 29 PRO HB3 1 1 9 3898 1 1 29 PRO HD2 H 5.624 -6.303 0.590 1.00 . A A . 29 PRO HD2 1 1 9 3899 1 1 29 PRO HD3 H 5.065 -7.708 -0.333 1.00 . A A . 29 PRO HD3 1 1 9 3900 1 1 29 PRO HG2 H 4.632 -7.029 2.516 1.00 . A A . 29 PRO HG2 1 1 9 3901 1 1 29 PRO HG3 H 4.619 -8.614 1.721 1.00 . A A . 29 PRO HG3 1 1 9 3902 1 1 29 PRO N N 3.637 -6.173 -0.099 1.00 . A A . 29 PRO N 1 1 9 3903 1 1 29 PRO O O 3.286 -4.345 1.950 1.00 . A A . 29 PRO O 1 1 9 3904 1 1 30 ARG C C 1.512 -3.995 4.495 1.00 . A A . 30 ARG C 1 1 9 3905 1 1 30 ARG CA C 0.844 -3.784 3.146 1.00 . A A . 30 ARG CA 1 1 9 3906 1 1 30 ARG CB C -0.663 -3.617 3.328 1.00 . A A . 30 ARG CB 1 1 9 3907 1 1 30 ARG CD C -2.612 -2.050 3.581 1.00 . A A . 30 ARG CD 1 1 9 3908 1 1 30 ARG CG C -1.128 -2.171 3.273 1.00 . A A . 30 ARG CG 1 1 9 3909 1 1 30 ARG CZ C -4.238 -3.190 5.040 1.00 . A A . 30 ARG CZ 1 1 9 3910 1 1 30 ARG H H 0.401 -5.519 2.024 1.00 . A A . 30 ARG H 1 1 9 3911 1 1 30 ARG HA H 1.248 -2.895 2.707 1.00 . A A . 30 ARG HA 1 1 9 3912 1 1 30 ARG HB2 H -1.168 -4.166 2.549 1.00 . A A . 30 ARG HB2 1 1 9 3913 1 1 30 ARG HB3 H -0.949 -4.028 4.283 1.00 . A A . 30 ARG HB3 1 1 9 3914 1 1 30 ARG HD2 H -2.849 -1.010 3.745 1.00 . A A . 30 ARG HD2 1 1 9 3915 1 1 30 ARG HD3 H -3.173 -2.418 2.733 1.00 . A A . 30 ARG HD3 1 1 9 3916 1 1 30 ARG HE H -2.278 -3.062 5.392 1.00 . A A . 30 ARG HE 1 1 9 3917 1 1 30 ARG HG2 H -0.572 -1.598 4.000 1.00 . A A . 30 ARG HG2 1 1 9 3918 1 1 30 ARG HG3 H -0.940 -1.781 2.285 1.00 . A A . 30 ARG HG3 1 1 9 3919 1 1 30 ARG HH11 H -5.045 -2.348 3.388 1.00 . A A . 30 ARG HH11 1 1 9 3920 1 1 30 ARG HH12 H -6.165 -3.157 4.431 1.00 . A A . 30 ARG HH12 1 1 9 3921 1 1 30 ARG HH21 H -3.751 -4.127 6.765 1.00 . A A . 30 ARG HH21 1 1 9 3922 1 1 30 ARG HH22 H -5.431 -4.166 6.347 1.00 . A A . 30 ARG HH22 1 1 9 3923 1 1 30 ARG N N 1.121 -4.893 2.241 1.00 . A A . 30 ARG N 1 1 9 3924 1 1 30 ARG NE N -2.991 -2.816 4.767 1.00 . A A . 30 ARG NE 1 1 9 3925 1 1 30 ARG NH1 N -5.231 -2.871 4.218 1.00 . A A . 30 ARG NH1 1 1 9 3926 1 1 30 ARG NH2 N -4.495 -3.884 6.141 1.00 . A A . 30 ARG NH2 1 1 9 3927 1 1 30 ARG O O 1.543 -3.096 5.336 1.00 . A A . 30 ARG O 1 1 9 3928 1 1 31 THR C C 3.858 -6.501 5.685 1.00 . A A . 31 THR C 1 1 9 3929 1 1 31 THR CA C 2.705 -5.532 5.937 1.00 . A A . 31 THR CA 1 1 9 3930 1 1 31 THR CB C 1.695 -6.146 6.909 1.00 . A A . 31 THR CB 1 1 9 3931 1 1 31 THR CG2 C 2.330 -6.781 8.129 1.00 . A A . 31 THR CG2 1 1 9 3932 1 1 31 THR H H 1.974 -5.854 3.982 1.00 . A A . 31 THR H 1 1 9 3933 1 1 31 THR HA H 3.097 -4.621 6.362 1.00 . A A . 31 THR HA 1 1 9 3934 1 1 31 THR HB H 1.135 -6.912 6.389 1.00 . A A . 31 THR HB 1 1 9 3935 1 1 31 THR HG1 H -0.115 -5.439 7.158 1.00 . A A . 31 THR HG1 1 1 9 3936 1 1 31 THR HG21 H 2.829 -6.020 8.711 1.00 . A A . 31 THR HG21 1 1 9 3937 1 1 31 THR HG22 H 3.048 -7.524 7.817 1.00 . A A . 31 THR HG22 1 1 9 3938 1 1 31 THR HG23 H 1.565 -7.249 8.731 1.00 . A A . 31 THR HG23 1 1 9 3939 1 1 31 THR N N 2.039 -5.188 4.692 1.00 . A A . 31 THR N 1 1 9 3940 1 1 31 THR O O 4.788 -6.596 6.485 1.00 . A A . 31 THR O 1 1 9 3941 1 1 31 THR OG1 O 0.781 -5.164 7.365 1.00 . A A . 31 THR OG1 1 1 9 3942 2 2 1 ZN ZN ZN 3.851 0.768 -2.415 1.00 . B A . 32 ZN ZN 1 1 10 3943 1 1 1 GLY C C -18.114 -1.441 -4.672 1.00 . A A . 1 GLY C 1 1 10 3944 1 1 1 GLY CA C -18.258 -1.810 -6.136 1.00 . A A . 1 GLY CA 1 1 10 3945 1 1 1 GLY H1 H -18.825 -3.442 -7.310 1.00 . A A . 1 GLY H1 1 1 10 3946 1 1 1 GLY H2 H -19.249 -3.591 -5.679 1.00 . A A . 1 GLY H2 1 1 10 3947 1 1 1 GLY H3 H -17.640 -3.806 -6.158 1.00 . A A . 1 GLY H3 1 1 10 3948 1 1 1 GLY HA2 H -17.351 -1.540 -6.655 1.00 . A A . 1 GLY HA2 1 1 10 3949 1 1 1 GLY HA3 H -19.081 -1.252 -6.556 1.00 . A A . 1 GLY HA3 1 1 10 3950 1 1 1 GLY N N -18.511 -3.264 -6.334 1.00 . A A . 1 GLY N 1 1 10 3951 1 1 1 GLY O O -18.404 -0.313 -4.278 1.00 . A A . 1 GLY O 1 1 10 3952 1 1 2 SER C C -16.069 -1.679 -2.139 1.00 . A A . 2 SER C 1 1 10 3953 1 1 2 SER CA C -17.483 -2.168 -2.436 1.00 . A A . 2 SER CA 1 1 10 3954 1 1 2 SER CB C -17.766 -3.449 -1.652 1.00 . A A . 2 SER CB 1 1 10 3955 1 1 2 SER H H -17.450 -3.277 -4.239 1.00 . A A . 2 SER H 1 1 10 3956 1 1 2 SER HA H -18.184 -1.406 -2.131 1.00 . A A . 2 SER HA 1 1 10 3957 1 1 2 SER HB2 H -17.787 -3.226 -0.596 1.00 . A A . 2 SER HB2 1 1 10 3958 1 1 2 SER HB3 H -18.725 -3.849 -1.953 1.00 . A A . 2 SER HB3 1 1 10 3959 1 1 2 SER HG H -15.924 -4.109 -1.567 1.00 . A A . 2 SER HG 1 1 10 3960 1 1 2 SER N N -17.664 -2.397 -3.864 1.00 . A A . 2 SER N 1 1 10 3961 1 1 2 SER O O -15.108 -2.094 -2.790 1.00 . A A . 2 SER O 1 1 10 3962 1 1 2 SER OG O -16.769 -4.426 -1.892 1.00 . A A . 2 SER OG 1 1 10 3963 1 1 3 THR C C -14.719 0.403 0.605 1.00 . A A . 3 THR C 1 1 10 3964 1 1 3 THR CA C -14.650 -0.252 -0.770 1.00 . A A . 3 THR CA 1 1 10 3965 1 1 3 THR CB C -14.174 0.765 -1.808 1.00 . A A . 3 THR CB 1 1 10 3966 1 1 3 THR CG2 C -12.777 1.285 -1.541 1.00 . A A . 3 THR CG2 1 1 10 3967 1 1 3 THR H H -16.749 -0.505 -0.671 1.00 . A A . 3 THR H 1 1 10 3968 1 1 3 THR HA H -13.945 -1.070 -0.732 1.00 . A A . 3 THR HA 1 1 10 3969 1 1 3 THR HB H -14.847 1.610 -1.804 1.00 . A A . 3 THR HB 1 1 10 3970 1 1 3 THR HG1 H -14.582 0.813 -3.723 1.00 . A A . 3 THR HG1 1 1 10 3971 1 1 3 THR HG21 H -12.612 2.185 -2.114 1.00 . A A . 3 THR HG21 1 1 10 3972 1 1 3 THR HG22 H -12.054 0.537 -1.829 1.00 . A A . 3 THR HG22 1 1 10 3973 1 1 3 THR HG23 H -12.670 1.504 -0.489 1.00 . A A . 3 THR HG23 1 1 10 3974 1 1 3 THR N N -15.947 -0.797 -1.153 1.00 . A A . 3 THR N 1 1 10 3975 1 1 3 THR O O -15.586 1.238 0.863 1.00 . A A . 3 THR O 1 1 10 3976 1 1 3 THR OG1 O -14.180 0.197 -3.106 1.00 . A A . 3 THR OG1 1 1 10 3977 1 1 4 SER C C -12.947 1.861 2.871 1.00 . A A . 4 SER C 1 1 10 3978 1 1 4 SER CA C -13.758 0.570 2.835 1.00 . A A . 4 SER CA 1 1 10 3979 1 1 4 SER CB C -13.159 -0.451 3.806 1.00 . A A . 4 SER CB 1 1 10 3980 1 1 4 SER H H -13.135 -0.651 1.221 1.00 . A A . 4 SER H 1 1 10 3981 1 1 4 SER HA H -14.771 0.788 3.135 1.00 . A A . 4 SER HA 1 1 10 3982 1 1 4 SER HB2 H -13.117 -0.020 4.796 1.00 . A A . 4 SER HB2 1 1 10 3983 1 1 4 SER HB3 H -13.780 -1.334 3.824 1.00 . A A . 4 SER HB3 1 1 10 3984 1 1 4 SER HG H -11.383 -1.195 4.166 1.00 . A A . 4 SER HG 1 1 10 3985 1 1 4 SER N N -13.800 0.019 1.486 1.00 . A A . 4 SER N 1 1 10 3986 1 1 4 SER O O -13.506 2.956 2.924 1.00 . A A . 4 SER O 1 1 10 3987 1 1 4 SER OG O -11.849 -0.822 3.413 1.00 . A A . 4 SER OG 1 1 10 3988 1 1 5 ALA C C -9.361 2.536 2.315 1.00 . A A . 5 ALA C 1 1 10 3989 1 1 5 ALA CA C -10.737 2.883 2.870 1.00 . A A . 5 ALA CA 1 1 10 3990 1 1 5 ALA CB C -10.616 3.419 4.289 1.00 . A A . 5 ALA CB 1 1 10 3991 1 1 5 ALA H H -11.236 0.827 2.799 1.00 . A A . 5 ALA H 1 1 10 3992 1 1 5 ALA HA H -11.178 3.656 2.256 1.00 . A A . 5 ALA HA 1 1 10 3993 1 1 5 ALA HB1 H -10.206 2.651 4.929 1.00 . A A . 5 ALA HB1 1 1 10 3994 1 1 5 ALA HB2 H -11.593 3.706 4.650 1.00 . A A . 5 ALA HB2 1 1 10 3995 1 1 5 ALA HB3 H -9.963 4.279 4.295 1.00 . A A . 5 ALA HB3 1 1 10 3996 1 1 5 ALA N N -11.624 1.727 2.841 1.00 . A A . 5 ALA N 1 1 10 3997 1 1 5 ALA O O -8.827 1.459 2.580 1.00 . A A . 5 ALA O 1 1 10 3998 1 1 6 MET C C -6.386 3.340 2.012 1.00 . A A . 6 MET C 1 1 10 3999 1 1 6 MET CA C -7.478 3.249 0.953 1.00 . A A . 6 MET CA 1 1 10 4000 1 1 6 MET CB C -7.232 4.294 -0.131 1.00 . A A . 6 MET CB 1 1 10 4001 1 1 6 MET CE C -9.234 6.044 -3.068 1.00 . A A . 6 MET CE 1 1 10 4002 1 1 6 MET CG C -8.172 4.174 -1.320 1.00 . A A . 6 MET CG 1 1 10 4003 1 1 6 MET H H -9.261 4.295 1.371 1.00 . A A . 6 MET H 1 1 10 4004 1 1 6 MET HA H -7.459 2.266 0.508 1.00 . A A . 6 MET HA 1 1 10 4005 1 1 6 MET HB2 H -7.353 5.273 0.301 1.00 . A A . 6 MET HB2 1 1 10 4006 1 1 6 MET HB3 H -6.223 4.197 -0.486 1.00 . A A . 6 MET HB3 1 1 10 4007 1 1 6 MET HE1 H -9.089 7.114 -3.084 1.00 . A A . 6 MET HE1 1 1 10 4008 1 1 6 MET HE2 H -10.128 5.794 -3.619 1.00 . A A . 6 MET HE2 1 1 10 4009 1 1 6 MET HE3 H -8.384 5.559 -3.521 1.00 . A A . 6 MET HE3 1 1 10 4010 1 1 6 MET HG2 H -7.589 4.210 -2.228 1.00 . A A . 6 MET HG2 1 1 10 4011 1 1 6 MET HG3 H -8.684 3.225 -1.261 1.00 . A A . 6 MET HG3 1 1 10 4012 1 1 6 MET N N -8.790 3.455 1.545 1.00 . A A . 6 MET N 1 1 10 4013 1 1 6 MET O O -6.655 3.681 3.165 1.00 . A A . 6 MET O 1 1 10 4014 1 1 6 MET SD S -9.403 5.492 -1.372 1.00 . A A . 6 MET SD 1 1 10 4015 1 1 7 TRP C C -2.826 3.788 1.908 1.00 . A A . 7 TRP C 1 1 10 4016 1 1 7 TRP CA C -4.030 3.109 2.541 1.00 . A A . 7 TRP CA 1 1 10 4017 1 1 7 TRP CB C -3.638 1.718 3.054 1.00 . A A . 7 TRP CB 1 1 10 4018 1 1 7 TRP CD1 C -4.277 -0.041 1.285 1.00 . A A . 7 TRP CD1 1 1 10 4019 1 1 7 TRP CD2 C -2.072 0.279 1.515 1.00 . A A . 7 TRP CD2 1 1 10 4020 1 1 7 TRP CE2 C -2.281 -0.709 0.533 1.00 . A A . 7 TRP CE2 1 1 10 4021 1 1 7 TRP CE3 C -0.759 0.648 1.828 1.00 . A A . 7 TRP CE3 1 1 10 4022 1 1 7 TRP CG C -3.361 0.695 1.984 1.00 . A A . 7 TRP CG 1 1 10 4023 1 1 7 TRP CH2 C 0.045 -0.950 0.192 1.00 . A A . 7 TRP CH2 1 1 10 4024 1 1 7 TRP CZ2 C -1.229 -1.332 -0.134 1.00 . A A . 7 TRP CZ2 1 1 10 4025 1 1 7 TRP CZ3 C 0.285 0.031 1.162 1.00 . A A . 7 TRP CZ3 1 1 10 4026 1 1 7 TRP H H -4.998 2.789 0.684 1.00 . A A . 7 TRP H 1 1 10 4027 1 1 7 TRP HA H -4.345 3.705 3.384 1.00 . A A . 7 TRP HA 1 1 10 4028 1 1 7 TRP HB2 H -2.745 1.810 3.653 1.00 . A A . 7 TRP HB2 1 1 10 4029 1 1 7 TRP HB3 H -4.434 1.344 3.676 1.00 . A A . 7 TRP HB3 1 1 10 4030 1 1 7 TRP HD1 H -5.348 0.040 1.409 1.00 . A A . 7 TRP HD1 1 1 10 4031 1 1 7 TRP HE1 H -4.071 -1.518 -0.213 1.00 . A A . 7 TRP HE1 1 1 10 4032 1 1 7 TRP HE3 H -0.553 1.403 2.573 1.00 . A A . 7 TRP HE3 1 1 10 4033 1 1 7 TRP HH2 H 0.894 -1.403 -0.308 1.00 . A A . 7 TRP HH2 1 1 10 4034 1 1 7 TRP HZ2 H -1.401 -2.096 -0.878 1.00 . A A . 7 TRP HZ2 1 1 10 4035 1 1 7 TRP HZ3 H 1.303 0.302 1.390 1.00 . A A . 7 TRP HZ3 1 1 10 4036 1 1 7 TRP N N -5.154 3.044 1.616 1.00 . A A . 7 TRP N 1 1 10 4037 1 1 7 TRP NE1 N -3.633 -0.888 0.407 1.00 . A A . 7 TRP NE1 1 1 10 4038 1 1 7 TRP O O -2.704 3.862 0.685 1.00 . A A . 7 TRP O 1 1 10 4039 1 1 8 ALA C C 0.490 4.076 2.514 1.00 . A A . 8 ALA C 1 1 10 4040 1 1 8 ALA CA C -0.732 4.961 2.309 1.00 . A A . 8 ALA CA 1 1 10 4041 1 1 8 ALA CB C -0.562 6.283 3.043 1.00 . A A . 8 ALA CB 1 1 10 4042 1 1 8 ALA H H -2.103 4.181 3.723 1.00 . A A . 8 ALA H 1 1 10 4043 1 1 8 ALA HA H -0.842 5.171 1.253 1.00 . A A . 8 ALA HA 1 1 10 4044 1 1 8 ALA HB1 H 0.296 6.807 2.647 1.00 . A A . 8 ALA HB1 1 1 10 4045 1 1 8 ALA HB2 H -0.413 6.093 4.096 1.00 . A A . 8 ALA HB2 1 1 10 4046 1 1 8 ALA HB3 H -1.447 6.886 2.907 1.00 . A A . 8 ALA HB3 1 1 10 4047 1 1 8 ALA N N -1.940 4.281 2.761 1.00 . A A . 8 ALA N 1 1 10 4048 1 1 8 ALA O O 0.858 3.759 3.646 1.00 . A A . 8 ALA O 1 1 10 4049 1 1 9 CYS C C 3.466 3.536 2.104 1.00 . A A . 9 CYS C 1 1 10 4050 1 1 9 CYS CA C 2.285 2.819 1.468 1.00 . A A . 9 CYS CA 1 1 10 4051 1 1 9 CYS CB C 2.659 2.350 0.066 1.00 . A A . 9 CYS CB 1 1 10 4052 1 1 9 CYS H H 0.772 3.959 0.542 1.00 . A A . 9 CYS H 1 1 10 4053 1 1 9 CYS HA H 2.038 1.959 2.070 1.00 . A A . 9 CYS HA 1 1 10 4054 1 1 9 CYS HB2 H 1.769 2.009 -0.443 1.00 . A A . 9 CYS HB2 1 1 10 4055 1 1 9 CYS HB3 H 3.084 3.180 -0.480 1.00 . A A . 9 CYS HB3 1 1 10 4056 1 1 9 CYS N N 1.111 3.674 1.414 1.00 . A A . 9 CYS N 1 1 10 4057 1 1 9 CYS O O 3.498 4.765 2.170 1.00 . A A . 9 CYS O 1 1 10 4058 1 1 9 CYS SG S 3.861 0.998 0.034 1.00 . A A . 9 CYS SG 1 1 10 4059 1 1 10 GLN C C 6.878 2.962 2.378 1.00 . A A . 10 GLN C 1 1 10 4060 1 1 10 GLN CA C 5.630 3.322 3.181 1.00 . A A . 10 GLN CA 1 1 10 4061 1 1 10 GLN CB C 5.770 2.820 4.620 1.00 . A A . 10 GLN CB 1 1 10 4062 1 1 10 GLN CD C 4.370 0.761 5.041 1.00 . A A . 10 GLN CD 1 1 10 4063 1 1 10 GLN CG C 5.753 1.306 4.741 1.00 . A A . 10 GLN CG 1 1 10 4064 1 1 10 GLN H H 4.361 1.789 2.475 1.00 . A A . 10 GLN H 1 1 10 4065 1 1 10 GLN HA H 5.517 4.396 3.190 1.00 . A A . 10 GLN HA 1 1 10 4066 1 1 10 GLN HB2 H 6.703 3.182 5.026 1.00 . A A . 10 GLN HB2 1 1 10 4067 1 1 10 GLN HB3 H 4.954 3.217 5.208 1.00 . A A . 10 GLN HB3 1 1 10 4068 1 1 10 GLN HE21 H 4.274 -0.063 3.235 1.00 . A A . 10 GLN HE21 1 1 10 4069 1 1 10 GLN HE22 H 2.892 -0.303 4.243 1.00 . A A . 10 GLN HE22 1 1 10 4070 1 1 10 GLN HG2 H 6.096 0.879 3.811 1.00 . A A . 10 GLN HG2 1 1 10 4071 1 1 10 GLN HG3 H 6.420 1.013 5.538 1.00 . A A . 10 GLN HG3 1 1 10 4072 1 1 10 GLN N N 4.441 2.761 2.562 1.00 . A A . 10 GLN N 1 1 10 4073 1 1 10 GLN NE2 N 3.787 0.061 4.075 1.00 . A A . 10 GLN NE2 1 1 10 4074 1 1 10 GLN O O 7.951 2.749 2.941 1.00 . A A . 10 GLN O 1 1 10 4075 1 1 10 GLN OE1 O 3.832 0.967 6.129 1.00 . A A . 10 GLN OE1 1 1 10 4076 1 1 11 HIS C C 7.795 3.485 -1.050 1.00 . A A . 11 HIS C 1 1 10 4077 1 1 11 HIS CA C 7.840 2.582 0.171 1.00 . A A . 11 HIS CA 1 1 10 4078 1 1 11 HIS CB C 7.777 1.115 -0.256 1.00 . A A . 11 HIS CB 1 1 10 4079 1 1 11 HIS CD2 C 9.890 0.290 -1.512 1.00 . A A . 11 HIS CD2 1 1 10 4080 1 1 11 HIS CE1 C 10.979 -0.539 0.201 1.00 . A A . 11 HIS CE1 1 1 10 4081 1 1 11 HIS CG C 9.119 0.479 -0.414 1.00 . A A . 11 HIS CG 1 1 10 4082 1 1 11 HIS H H 5.849 3.094 0.661 1.00 . A A . 11 HIS H 1 1 10 4083 1 1 11 HIS HA H 8.761 2.760 0.708 1.00 . A A . 11 HIS HA 1 1 10 4084 1 1 11 HIS HB2 H 7.232 0.553 0.488 1.00 . A A . 11 HIS HB2 1 1 10 4085 1 1 11 HIS HB3 H 7.263 1.043 -1.203 1.00 . A A . 11 HIS HB3 1 1 10 4086 1 1 11 HIS HD1 H 9.542 -0.068 1.578 1.00 . A A . 11 HIS HD1 1 1 10 4087 1 1 11 HIS HD2 H 9.644 0.583 -2.524 1.00 . A A . 11 HIS HD2 1 1 10 4088 1 1 11 HIS HE1 H 11.736 -1.016 0.803 1.00 . A A . 11 HIS HE1 1 1 10 4089 1 1 11 HIS HE2 H 11.808 -0.532 -1.670 1.00 . A A . 11 HIS HE2 1 1 10 4090 1 1 11 HIS N N 6.730 2.905 1.056 1.00 . A A . 11 HIS N 1 1 10 4091 1 1 11 HIS ND1 N 9.835 -0.052 0.643 1.00 . A A . 11 HIS ND1 1 1 10 4092 1 1 11 HIS NE2 N 11.036 -0.344 -1.104 1.00 . A A . 11 HIS NE2 1 1 10 4093 1 1 11 HIS O O 8.727 4.245 -1.313 1.00 . A A . 11 HIS O 1 1 10 4094 1 1 12 CYS C C 5.913 5.585 -2.529 1.00 . A A . 12 CYS C 1 1 10 4095 1 1 12 CYS CA C 6.488 4.238 -2.946 1.00 . A A . 12 CYS CA 1 1 10 4096 1 1 12 CYS CB C 5.544 3.544 -3.918 1.00 . A A . 12 CYS CB 1 1 10 4097 1 1 12 CYS H H 5.973 2.807 -1.505 1.00 . A A . 12 CYS H 1 1 10 4098 1 1 12 CYS HA H 7.445 4.392 -3.422 1.00 . A A . 12 CYS HA 1 1 10 4099 1 1 12 CYS HB2 H 5.259 4.245 -4.666 1.00 . A A . 12 CYS HB2 1 1 10 4100 1 1 12 CYS HB3 H 6.057 2.714 -4.381 1.00 . A A . 12 CYS HB3 1 1 10 4101 1 1 12 CYS N N 6.687 3.415 -1.776 1.00 . A A . 12 CYS N 1 1 10 4102 1 1 12 CYS O O 6.218 6.615 -3.125 1.00 . A A . 12 CYS O 1 1 10 4103 1 1 12 CYS SG S 4.025 2.912 -3.174 1.00 . A A . 12 CYS SG 1 1 10 4104 1 1 13 THR C C 3.201 7.139 -1.722 1.00 . A A . 13 THR C 1 1 10 4105 1 1 13 THR CA C 4.444 6.742 -0.926 1.00 . A A . 13 THR CA 1 1 10 4106 1 1 13 THR CB C 5.441 7.910 -0.822 1.00 . A A . 13 THR CB 1 1 10 4107 1 1 13 THR CG2 C 5.472 8.836 -2.026 1.00 . A A . 13 THR CG2 1 1 10 4108 1 1 13 THR H H 4.903 4.677 -1.068 1.00 . A A . 13 THR H 1 1 10 4109 1 1 13 THR HA H 4.124 6.483 0.073 1.00 . A A . 13 THR HA 1 1 10 4110 1 1 13 THR HB H 6.432 7.501 -0.696 1.00 . A A . 13 THR HB 1 1 10 4111 1 1 13 THR HG1 H 4.269 9.074 0.229 1.00 . A A . 13 THR HG1 1 1 10 4112 1 1 13 THR HG21 H 4.991 9.770 -1.772 1.00 . A A . 13 THR HG21 1 1 10 4113 1 1 13 THR HG22 H 4.952 8.376 -2.852 1.00 . A A . 13 THR HG22 1 1 10 4114 1 1 13 THR HG23 H 6.498 9.027 -2.306 1.00 . A A . 13 THR HG23 1 1 10 4115 1 1 13 THR N N 5.085 5.547 -1.484 1.00 . A A . 13 THR N 1 1 10 4116 1 1 13 THR O O 2.916 8.322 -1.909 1.00 . A A . 13 THR O 1 1 10 4117 1 1 13 THR OG1 O 5.152 8.706 0.313 1.00 . A A . 13 THR OG1 1 1 10 4118 1 1 14 PHE C C 0.039 5.793 -2.198 1.00 . A A . 14 PHE C 1 1 10 4119 1 1 14 PHE CA C 1.238 6.375 -2.928 1.00 . A A . 14 PHE CA 1 1 10 4120 1 1 14 PHE CB C 1.353 5.755 -4.318 1.00 . A A . 14 PHE CB 1 1 10 4121 1 1 14 PHE CD1 C -0.162 7.309 -5.578 1.00 . A A . 14 PHE CD1 1 1 10 4122 1 1 14 PHE CD2 C -0.618 4.970 -5.658 1.00 . A A . 14 PHE CD2 1 1 10 4123 1 1 14 PHE CE1 C -1.252 7.552 -6.392 1.00 . A A . 14 PHE CE1 1 1 10 4124 1 1 14 PHE CE2 C -1.709 5.207 -6.472 1.00 . A A . 14 PHE CE2 1 1 10 4125 1 1 14 PHE CG C 0.166 6.016 -5.203 1.00 . A A . 14 PHE CG 1 1 10 4126 1 1 14 PHE CZ C -2.027 6.500 -6.840 1.00 . A A . 14 PHE CZ 1 1 10 4127 1 1 14 PHE H H 2.720 5.219 -1.980 1.00 . A A . 14 PHE H 1 1 10 4128 1 1 14 PHE HA H 1.106 7.440 -3.027 1.00 . A A . 14 PHE HA 1 1 10 4129 1 1 14 PHE HB2 H 2.221 6.157 -4.807 1.00 . A A . 14 PHE HB2 1 1 10 4130 1 1 14 PHE HB3 H 1.464 4.687 -4.219 1.00 . A A . 14 PHE HB3 1 1 10 4131 1 1 14 PHE HD1 H 0.443 8.132 -5.229 1.00 . A A . 14 PHE HD1 1 1 10 4132 1 1 14 PHE HD2 H -0.371 3.959 -5.371 1.00 . A A . 14 PHE HD2 1 1 10 4133 1 1 14 PHE HE1 H -1.499 8.564 -6.679 1.00 . A A . 14 PHE HE1 1 1 10 4134 1 1 14 PHE HE2 H -2.313 4.381 -6.821 1.00 . A A . 14 PHE HE2 1 1 10 4135 1 1 14 PHE HZ H -2.879 6.688 -7.477 1.00 . A A . 14 PHE HZ 1 1 10 4136 1 1 14 PHE N N 2.455 6.139 -2.172 1.00 . A A . 14 PHE N 1 1 10 4137 1 1 14 PHE O O 0.185 4.987 -1.279 1.00 . A A . 14 PHE O 1 1 10 4138 1 1 15 MET C C -2.790 4.407 -2.671 1.00 . A A . 15 MET C 1 1 10 4139 1 1 15 MET CA C -2.378 5.713 -2.020 1.00 . A A . 15 MET CA 1 1 10 4140 1 1 15 MET CB C -3.493 6.751 -2.155 1.00 . A A . 15 MET CB 1 1 10 4141 1 1 15 MET CE C -6.768 7.815 -2.038 1.00 . A A . 15 MET CE 1 1 10 4142 1 1 15 MET CG C -4.427 6.798 -0.957 1.00 . A A . 15 MET CG 1 1 10 4143 1 1 15 MET H H -1.186 6.833 -3.362 1.00 . A A . 15 MET H 1 1 10 4144 1 1 15 MET HA H -2.187 5.522 -0.972 1.00 . A A . 15 MET HA 1 1 10 4145 1 1 15 MET HB2 H -3.048 7.727 -2.275 1.00 . A A . 15 MET HB2 1 1 10 4146 1 1 15 MET HB3 H -4.079 6.522 -3.032 1.00 . A A . 15 MET HB3 1 1 10 4147 1 1 15 MET HE1 H -7.113 6.823 -1.787 1.00 . A A . 15 MET HE1 1 1 10 4148 1 1 15 MET HE2 H -6.404 7.823 -3.056 1.00 . A A . 15 MET HE2 1 1 10 4149 1 1 15 MET HE3 H -7.585 8.516 -1.943 1.00 . A A . 15 MET HE3 1 1 10 4150 1 1 15 MET HG2 H -5.078 5.936 -0.991 1.00 . A A . 15 MET HG2 1 1 10 4151 1 1 15 MET HG3 H -3.836 6.766 -0.054 1.00 . A A . 15 MET HG3 1 1 10 4152 1 1 15 MET N N -1.144 6.199 -2.621 1.00 . A A . 15 MET N 1 1 10 4153 1 1 15 MET O O -2.498 4.163 -3.841 1.00 . A A . 15 MET O 1 1 10 4154 1 1 15 MET SD S -5.445 8.287 -0.928 1.00 . A A . 15 MET SD 1 1 10 4155 1 1 16 ASN C C -5.232 1.868 -1.886 1.00 . A A . 16 ASN C 1 1 10 4156 1 1 16 ASN CA C -3.841 2.253 -2.386 1.00 . A A . 16 ASN CA 1 1 10 4157 1 1 16 ASN CB C -2.813 1.234 -1.926 1.00 . A A . 16 ASN CB 1 1 10 4158 1 1 16 ASN CG C -2.606 0.119 -2.924 1.00 . A A . 16 ASN CG 1 1 10 4159 1 1 16 ASN H H -3.611 3.791 -0.961 1.00 . A A . 16 ASN H 1 1 10 4160 1 1 16 ASN HA H -3.846 2.286 -3.464 1.00 . A A . 16 ASN HA 1 1 10 4161 1 1 16 ASN HB2 H -1.868 1.731 -1.774 1.00 . A A . 16 ASN HB2 1 1 10 4162 1 1 16 ASN HB3 H -3.141 0.816 -0.996 1.00 . A A . 16 ASN HB3 1 1 10 4163 1 1 16 ASN HD21 H -1.308 1.238 -3.931 1.00 . A A . 16 ASN HD21 1 1 10 4164 1 1 16 ASN HD22 H -1.599 -0.338 -4.573 1.00 . A A . 16 ASN HD22 1 1 10 4165 1 1 16 ASN N N -3.433 3.554 -1.895 1.00 . A A . 16 ASN N 1 1 10 4166 1 1 16 ASN ND2 N -1.750 0.364 -3.908 1.00 . A A . 16 ASN ND2 1 1 10 4167 1 1 16 ASN O O -5.615 2.201 -0.768 1.00 . A A . 16 ASN O 1 1 10 4168 1 1 16 ASN OD1 O -3.202 -0.947 -2.808 1.00 . A A . 16 ASN OD1 1 1 10 4169 1 1 17 GLN C C -7.311 -0.263 -1.201 1.00 . A A . 17 GLN C 1 1 10 4170 1 1 17 GLN CA C -7.331 0.724 -2.371 1.00 . A A . 17 GLN CA 1 1 10 4171 1 1 17 GLN CB C -8.008 0.093 -3.580 1.00 . A A . 17 GLN CB 1 1 10 4172 1 1 17 GLN CD C -10.091 1.507 -3.830 1.00 . A A . 17 GLN CD 1 1 10 4173 1 1 17 GLN CG C -8.769 1.089 -4.443 1.00 . A A . 17 GLN CG 1 1 10 4174 1 1 17 GLN H H -5.620 0.918 -3.604 1.00 . A A . 17 GLN H 1 1 10 4175 1 1 17 GLN HA H -7.888 1.592 -2.083 1.00 . A A . 17 GLN HA 1 1 10 4176 1 1 17 GLN HB2 H -7.252 -0.363 -4.186 1.00 . A A . 17 GLN HB2 1 1 10 4177 1 1 17 GLN HB3 H -8.699 -0.664 -3.243 1.00 . A A . 17 GLN HB3 1 1 10 4178 1 1 17 GLN HE21 H -9.334 3.280 -3.345 1.00 . A A . 17 GLN HE21 1 1 10 4179 1 1 17 GLN HE22 H -10.984 3.023 -2.904 1.00 . A A . 17 GLN HE22 1 1 10 4180 1 1 17 GLN HG2 H -8.158 1.969 -4.576 1.00 . A A . 17 GLN HG2 1 1 10 4181 1 1 17 GLN HG3 H -8.960 0.638 -5.405 1.00 . A A . 17 GLN HG3 1 1 10 4182 1 1 17 GLN N N -5.982 1.157 -2.724 1.00 . A A . 17 GLN N 1 1 10 4183 1 1 17 GLN NE2 N -10.141 2.727 -3.307 1.00 . A A . 17 GLN NE2 1 1 10 4184 1 1 17 GLN O O -6.261 -0.808 -0.857 1.00 . A A . 17 GLN O 1 1 10 4185 1 1 17 GLN OE1 O -11.056 0.743 -3.827 1.00 . A A . 17 GLN OE1 1 1 10 4186 1 1 18 PRO C C -8.520 -2.888 0.175 1.00 . A A . 18 PRO C 1 1 10 4187 1 1 18 PRO CA C -8.586 -1.415 0.576 1.00 . A A . 18 PRO CA 1 1 10 4188 1 1 18 PRO CB C -9.963 -1.089 1.154 1.00 . A A . 18 PRO CB 1 1 10 4189 1 1 18 PRO CD C -9.772 0.118 -0.906 1.00 . A A . 18 PRO CD 1 1 10 4190 1 1 18 PRO CG C -10.751 -0.589 -0.007 1.00 . A A . 18 PRO CG 1 1 10 4191 1 1 18 PRO HA H -7.828 -1.213 1.318 1.00 . A A . 18 PRO HA 1 1 10 4192 1 1 18 PRO HB2 H -10.401 -1.984 1.572 1.00 . A A . 18 PRO HB2 1 1 10 4193 1 1 18 PRO HB3 H -9.869 -0.337 1.919 1.00 . A A . 18 PRO HB3 1 1 10 4194 1 1 18 PRO HD2 H -10.022 -0.056 -1.941 1.00 . A A . 18 PRO HD2 1 1 10 4195 1 1 18 PRO HD3 H -9.763 1.177 -0.692 1.00 . A A . 18 PRO HD3 1 1 10 4196 1 1 18 PRO HG2 H -11.204 -1.419 -0.528 1.00 . A A . 18 PRO HG2 1 1 10 4197 1 1 18 PRO HG3 H -11.510 0.099 0.335 1.00 . A A . 18 PRO HG3 1 1 10 4198 1 1 18 PRO N N -8.475 -0.499 -0.566 1.00 . A A . 18 PRO N 1 1 10 4199 1 1 18 PRO O O -8.528 -3.770 1.033 1.00 . A A . 18 PRO O 1 1 10 4200 1 1 19 GLY C C -7.006 -4.890 -2.108 1.00 . A A . 19 GLY C 1 1 10 4201 1 1 19 GLY CA C -8.385 -4.524 -1.596 1.00 . A A . 19 GLY CA 1 1 10 4202 1 1 19 GLY H H -8.447 -2.415 -1.770 1.00 . A A . 19 GLY H 1 1 10 4203 1 1 19 GLY HA2 H -8.644 -5.187 -0.784 1.00 . A A . 19 GLY HA2 1 1 10 4204 1 1 19 GLY HA3 H -9.100 -4.655 -2.395 1.00 . A A . 19 GLY HA3 1 1 10 4205 1 1 19 GLY N N -8.453 -3.153 -1.126 1.00 . A A . 19 GLY N 1 1 10 4206 1 1 19 GLY O O -6.672 -6.068 -2.232 1.00 . A A . 19 GLY O 1 1 10 4207 1 1 20 THR C C -3.837 -4.020 -1.785 1.00 . A A . 20 THR C 1 1 10 4208 1 1 20 THR CA C -4.857 -4.078 -2.912 1.00 . A A . 20 THR CA 1 1 10 4209 1 1 20 THR CB C -4.525 -3.019 -3.957 1.00 . A A . 20 THR CB 1 1 10 4210 1 1 20 THR CG2 C -4.828 -3.458 -5.365 1.00 . A A . 20 THR CG2 1 1 10 4211 1 1 20 THR H H -6.535 -2.958 -2.288 1.00 . A A . 20 THR H 1 1 10 4212 1 1 20 THR HA H -4.812 -5.052 -3.374 1.00 . A A . 20 THR HA 1 1 10 4213 1 1 20 THR HB H -3.470 -2.793 -3.901 1.00 . A A . 20 THR HB 1 1 10 4214 1 1 20 THR HG1 H -6.177 -1.965 -3.940 1.00 . A A . 20 THR HG1 1 1 10 4215 1 1 20 THR HG21 H -4.482 -4.471 -5.505 1.00 . A A . 20 THR HG21 1 1 10 4216 1 1 20 THR HG22 H -4.324 -2.803 -6.059 1.00 . A A . 20 THR HG22 1 1 10 4217 1 1 20 THR HG23 H -5.892 -3.413 -5.531 1.00 . A A . 20 THR HG23 1 1 10 4218 1 1 20 THR N N -6.208 -3.873 -2.408 1.00 . A A . 20 THR N 1 1 10 4219 1 1 20 THR O O -2.995 -3.126 -1.750 1.00 . A A . 20 THR O 1 1 10 4220 1 1 20 THR OG1 O -5.254 -1.828 -3.715 1.00 . A A . 20 THR OG1 1 1 10 4221 1 1 21 GLY C C -1.532 -4.853 -0.248 1.00 . A A . 21 GLY C 1 1 10 4222 1 1 21 GLY CA C -2.959 -5.000 0.232 1.00 . A A . 21 GLY CA 1 1 10 4223 1 1 21 GLY H H -4.590 -5.674 -0.942 1.00 . A A . 21 GLY H 1 1 10 4224 1 1 21 GLY HA2 H -3.188 -4.189 0.908 1.00 . A A . 21 GLY HA2 1 1 10 4225 1 1 21 GLY HA3 H -3.054 -5.931 0.759 1.00 . A A . 21 GLY HA3 1 1 10 4226 1 1 21 GLY N N -3.904 -4.978 -0.868 1.00 . A A . 21 GLY N 1 1 10 4227 1 1 21 GLY O O -0.684 -4.302 0.452 1.00 . A A . 21 GLY O 1 1 10 4228 1 1 22 HIS C C 0.327 -3.777 -2.429 1.00 . A A . 22 HIS C 1 1 10 4229 1 1 22 HIS CA C 0.056 -5.230 -2.037 1.00 . A A . 22 HIS CA 1 1 10 4230 1 1 22 HIS CB C 0.196 -6.171 -3.238 1.00 . A A . 22 HIS CB 1 1 10 4231 1 1 22 HIS CD2 C 1.342 -8.488 -3.032 1.00 . A A . 22 HIS CD2 1 1 10 4232 1 1 22 HIS CE1 C -0.274 -9.555 -2.006 1.00 . A A . 22 HIS CE1 1 1 10 4233 1 1 22 HIS CG C 0.324 -7.612 -2.857 1.00 . A A . 22 HIS CG 1 1 10 4234 1 1 22 HIS H H -1.992 -5.745 -1.980 1.00 . A A . 22 HIS H 1 1 10 4235 1 1 22 HIS HA H 0.763 -5.518 -1.275 1.00 . A A . 22 HIS HA 1 1 10 4236 1 1 22 HIS HB2 H -0.676 -6.072 -3.867 1.00 . A A . 22 HIS HB2 1 1 10 4237 1 1 22 HIS HB3 H 1.075 -5.895 -3.802 1.00 . A A . 22 HIS HB3 1 1 10 4238 1 1 22 HIS HD1 H -1.544 -7.953 -1.942 1.00 . A A . 22 HIS HD1 1 1 10 4239 1 1 22 HIS HD2 H 2.291 -8.281 -3.507 1.00 . A A . 22 HIS HD2 1 1 10 4240 1 1 22 HIS HE1 H -0.848 -10.332 -1.522 1.00 . A A . 22 HIS HE1 1 1 10 4241 1 1 22 HIS HE2 H 1.509 -10.484 -2.400 1.00 . A A . 22 HIS HE2 1 1 10 4242 1 1 22 HIS N N -1.272 -5.332 -1.460 1.00 . A A . 22 HIS N 1 1 10 4243 1 1 22 HIS ND1 N -0.673 -8.312 -2.211 1.00 . A A . 22 HIS ND1 1 1 10 4244 1 1 22 HIS NE2 N 0.945 -9.688 -2.496 1.00 . A A . 22 HIS NE2 1 1 10 4245 1 1 22 HIS O O 0.465 -2.927 -1.560 1.00 . A A . 22 HIS O 1 1 10 4246 1 1 23 CYS C C 0.792 -2.058 -5.691 1.00 . A A . 23 CYS C 1 1 10 4247 1 1 23 CYS CA C 0.618 -2.119 -4.180 1.00 . A A . 23 CYS CA 1 1 10 4248 1 1 23 CYS CB C 1.845 -1.519 -3.500 1.00 . A A . 23 CYS CB 1 1 10 4249 1 1 23 CYS H H 0.265 -4.185 -4.386 1.00 . A A . 23 CYS H 1 1 10 4250 1 1 23 CYS HA H -0.247 -1.535 -3.910 1.00 . A A . 23 CYS HA 1 1 10 4251 1 1 23 CYS HB2 H 2.187 -2.184 -2.727 1.00 . A A . 23 CYS HB2 1 1 10 4252 1 1 23 CYS HB3 H 2.626 -1.404 -4.226 1.00 . A A . 23 CYS HB3 1 1 10 4253 1 1 23 CYS N N 0.387 -3.483 -3.726 1.00 . A A . 23 CYS N 1 1 10 4254 1 1 23 CYS O O 1.309 -2.988 -6.309 1.00 . A A . 23 CYS O 1 1 10 4255 1 1 23 CYS SG S 1.546 0.099 -2.752 1.00 . A A . 23 CYS SG 1 1 10 4256 1 1 24 GLU C C 1.666 0.182 -8.009 1.00 . A A . 24 GLU C 1 1 10 4257 1 1 24 GLU CA C 0.488 -0.737 -7.708 1.00 . A A . 24 GLU CA 1 1 10 4258 1 1 24 GLU CB C -0.805 -0.143 -8.272 1.00 . A A . 24 GLU CB 1 1 10 4259 1 1 24 GLU CD C -1.381 -0.963 -10.590 1.00 . A A . 24 GLU CD 1 1 10 4260 1 1 24 GLU CG C -1.615 -1.125 -9.101 1.00 . A A . 24 GLU CG 1 1 10 4261 1 1 24 GLU H H -0.021 -0.235 -5.721 1.00 . A A . 24 GLU H 1 1 10 4262 1 1 24 GLU HA H 0.666 -1.697 -8.169 1.00 . A A . 24 GLU HA 1 1 10 4263 1 1 24 GLU HB2 H -1.419 0.194 -7.450 1.00 . A A . 24 GLU HB2 1 1 10 4264 1 1 24 GLU HB3 H -0.558 0.704 -8.896 1.00 . A A . 24 GLU HB3 1 1 10 4265 1 1 24 GLU HG2 H -1.339 -2.130 -8.817 1.00 . A A . 24 GLU HG2 1 1 10 4266 1 1 24 GLU HG3 H -2.664 -0.969 -8.897 1.00 . A A . 24 GLU HG3 1 1 10 4267 1 1 24 GLU N N 0.369 -0.943 -6.274 1.00 . A A . 24 GLU N 1 1 10 4268 1 1 24 GLU O O 1.690 0.867 -9.031 1.00 . A A . 24 GLU O 1 1 10 4269 1 1 24 GLU OE1 O -2.101 -0.160 -11.221 1.00 . A A . 24 GLU OE1 1 1 10 4270 1 1 24 GLU OE2 O -0.476 -1.637 -11.127 1.00 . A A . 24 GLU OE2 1 1 10 4271 1 1 25 MET C C 5.081 0.202 -6.982 1.00 . A A . 25 MET C 1 1 10 4272 1 1 25 MET CA C 3.829 1.018 -7.270 1.00 . A A . 25 MET CA 1 1 10 4273 1 1 25 MET CB C 3.764 2.231 -6.342 1.00 . A A . 25 MET CB 1 1 10 4274 1 1 25 MET CE C 1.460 4.129 -9.056 1.00 . A A . 25 MET CE 1 1 10 4275 1 1 25 MET CG C 3.216 3.480 -7.013 1.00 . A A . 25 MET CG 1 1 10 4276 1 1 25 MET H H 2.576 -0.382 -6.312 1.00 . A A . 25 MET H 1 1 10 4277 1 1 25 MET HA H 3.860 1.356 -8.295 1.00 . A A . 25 MET HA 1 1 10 4278 1 1 25 MET HB2 H 3.129 1.993 -5.502 1.00 . A A . 25 MET HB2 1 1 10 4279 1 1 25 MET HB3 H 4.758 2.449 -5.981 1.00 . A A . 25 MET HB3 1 1 10 4280 1 1 25 MET HE1 H 0.840 5.013 -9.009 1.00 . A A . 25 MET HE1 1 1 10 4281 1 1 25 MET HE2 H 1.064 3.450 -9.796 1.00 . A A . 25 MET HE2 1 1 10 4282 1 1 25 MET HE3 H 2.468 4.410 -9.327 1.00 . A A . 25 MET HE3 1 1 10 4283 1 1 25 MET HG2 H 3.326 4.314 -6.335 1.00 . A A . 25 MET HG2 1 1 10 4284 1 1 25 MET HG3 H 3.787 3.669 -7.910 1.00 . A A . 25 MET HG3 1 1 10 4285 1 1 25 MET N N 2.647 0.189 -7.107 1.00 . A A . 25 MET N 1 1 10 4286 1 1 25 MET O O 5.926 0.019 -7.857 1.00 . A A . 25 MET O 1 1 10 4287 1 1 25 MET SD S 1.476 3.325 -7.456 1.00 . A A . 25 MET SD 1 1 10 4288 1 1 26 CYS C C 6.139 -2.556 -5.774 1.00 . A A . 26 CYS C 1 1 10 4289 1 1 26 CYS CA C 6.339 -1.097 -5.375 1.00 . A A . 26 CYS CA 1 1 10 4290 1 1 26 CYS CB C 6.585 -0.997 -3.873 1.00 . A A . 26 CYS CB 1 1 10 4291 1 1 26 CYS H H 4.490 -0.127 -5.088 1.00 . A A . 26 CYS H 1 1 10 4292 1 1 26 CYS HA H 7.200 -0.709 -5.897 1.00 . A A . 26 CYS HA 1 1 10 4293 1 1 26 CYS HB2 H 7.225 -1.798 -3.586 1.00 . A A . 26 CYS HB2 1 1 10 4294 1 1 26 CYS HB3 H 7.070 -0.057 -3.654 1.00 . A A . 26 CYS HB3 1 1 10 4295 1 1 26 CYS N N 5.193 -0.296 -5.754 1.00 . A A . 26 CYS N 1 1 10 4296 1 1 26 CYS O O 7.015 -3.161 -6.393 1.00 . A A . 26 CYS O 1 1 10 4297 1 1 26 CYS SG S 5.103 -1.108 -2.845 1.00 . A A . 26 CYS SG 1 1 10 4298 1 1 27 SER C C 4.937 -5.354 -4.449 1.00 . A A . 27 SER C 1 1 10 4299 1 1 27 SER CA C 4.643 -4.515 -5.676 1.00 . A A . 27 SER CA 1 1 10 4300 1 1 27 SER CB C 5.407 -5.060 -6.884 1.00 . A A . 27 SER CB 1 1 10 4301 1 1 27 SER H H 4.348 -2.578 -4.880 1.00 . A A . 27 SER H 1 1 10 4302 1 1 27 SER HA H 3.585 -4.559 -5.881 1.00 . A A . 27 SER HA 1 1 10 4303 1 1 27 SER HB2 H 5.424 -4.310 -7.659 1.00 . A A . 27 SER HB2 1 1 10 4304 1 1 27 SER HB3 H 6.415 -5.298 -6.587 1.00 . A A . 27 SER HB3 1 1 10 4305 1 1 27 SER HG H 4.731 -6.889 -6.699 1.00 . A A . 27 SER HG 1 1 10 4306 1 1 27 SER N N 4.986 -3.117 -5.394 1.00 . A A . 27 SER N 1 1 10 4307 1 1 27 SER O O 5.372 -6.502 -4.541 1.00 . A A . 27 SER O 1 1 10 4308 1 1 27 SER OG O 4.790 -6.229 -7.394 1.00 . A A . 27 SER OG 1 1 10 4309 1 1 28 LEU C C 3.666 -5.427 -1.207 1.00 . A A . 28 LEU C 1 1 10 4310 1 1 28 LEU CA C 4.952 -5.367 -2.022 1.00 . A A . 28 LEU CA 1 1 10 4311 1 1 28 LEU CB C 6.003 -4.553 -1.285 1.00 . A A . 28 LEU CB 1 1 10 4312 1 1 28 LEU CD1 C 8.410 -4.067 -0.790 1.00 . A A . 28 LEU CD1 1 1 10 4313 1 1 28 LEU CD2 C 7.603 -6.435 -0.825 1.00 . A A . 28 LEU CD2 1 1 10 4314 1 1 28 LEU CG C 7.443 -5.050 -1.431 1.00 . A A . 28 LEU CG 1 1 10 4315 1 1 28 LEU H H 4.381 -3.825 -3.306 1.00 . A A . 28 LEU H 1 1 10 4316 1 1 28 LEU HA H 5.321 -6.366 -2.187 1.00 . A A . 28 LEU HA 1 1 10 4317 1 1 28 LEU HB2 H 5.959 -3.546 -1.658 1.00 . A A . 28 LEU HB2 1 1 10 4318 1 1 28 LEU HB3 H 5.747 -4.534 -0.251 1.00 . A A . 28 LEU HB3 1 1 10 4319 1 1 28 LEU HD11 H 7.917 -3.555 0.022 1.00 . A A . 28 LEU HD11 1 1 10 4320 1 1 28 LEU HD12 H 8.729 -3.347 -1.528 1.00 . A A . 28 LEU HD12 1 1 10 4321 1 1 28 LEU HD13 H 9.261 -4.604 -0.411 1.00 . A A . 28 LEU HD13 1 1 10 4322 1 1 28 LEU HD21 H 7.586 -6.362 0.252 1.00 . A A . 28 LEU HD21 1 1 10 4323 1 1 28 LEU HD22 H 8.545 -6.853 -1.139 1.00 . A A . 28 LEU HD22 1 1 10 4324 1 1 28 LEU HD23 H 6.804 -7.073 -1.158 1.00 . A A . 28 LEU HD23 1 1 10 4325 1 1 28 LEU HG H 7.681 -5.114 -2.483 1.00 . A A . 28 LEU HG 1 1 10 4326 1 1 28 LEU N N 4.710 -4.742 -3.298 1.00 . A A . 28 LEU N 1 1 10 4327 1 1 28 LEU O O 2.665 -4.824 -1.579 1.00 . A A . 28 LEU O 1 1 10 4328 1 1 29 PRO C C 2.307 -5.072 1.688 1.00 . A A . 29 PRO C 1 1 10 4329 1 1 29 PRO CA C 2.519 -6.290 0.794 1.00 . A A . 29 PRO CA 1 1 10 4330 1 1 29 PRO CB C 2.869 -7.517 1.633 1.00 . A A . 29 PRO CB 1 1 10 4331 1 1 29 PRO CD C 4.852 -6.886 0.429 1.00 . A A . 29 PRO CD 1 1 10 4332 1 1 29 PRO CG C 4.358 -7.507 1.712 1.00 . A A . 29 PRO CG 1 1 10 4333 1 1 29 PRO HA H 1.619 -6.482 0.228 1.00 . A A . 29 PRO HA 1 1 10 4334 1 1 29 PRO HB2 H 2.419 -7.428 2.612 1.00 . A A . 29 PRO HB2 1 1 10 4335 1 1 29 PRO HB3 H 2.507 -8.408 1.143 1.00 . A A . 29 PRO HB3 1 1 10 4336 1 1 29 PRO HD2 H 5.667 -6.209 0.627 1.00 . A A . 29 PRO HD2 1 1 10 4337 1 1 29 PRO HD3 H 5.157 -7.648 -0.270 1.00 . A A . 29 PRO HD3 1 1 10 4338 1 1 29 PRO HG2 H 4.675 -6.917 2.559 1.00 . A A . 29 PRO HG2 1 1 10 4339 1 1 29 PRO HG3 H 4.726 -8.519 1.803 1.00 . A A . 29 PRO HG3 1 1 10 4340 1 1 29 PRO N N 3.684 -6.150 -0.081 1.00 . A A . 29 PRO N 1 1 10 4341 1 1 29 PRO O O 3.223 -4.275 1.894 1.00 . A A . 29 PRO O 1 1 10 4342 1 1 30 ARG C C 1.458 -3.959 4.449 1.00 . A A . 30 ARG C 1 1 10 4343 1 1 30 ARG CA C 0.765 -3.823 3.103 1.00 . A A . 30 ARG CA 1 1 10 4344 1 1 30 ARG CB C -0.748 -3.739 3.299 1.00 . A A . 30 ARG CB 1 1 10 4345 1 1 30 ARG CD C -2.818 -2.314 3.246 1.00 . A A . 30 ARG CD 1 1 10 4346 1 1 30 ARG CG C -1.298 -2.324 3.207 1.00 . A A . 30 ARG CG 1 1 10 4347 1 1 30 ARG CZ C -3.271 -2.931 5.588 1.00 . A A . 30 ARG CZ 1 1 10 4348 1 1 30 ARG H H 0.411 -5.611 2.031 1.00 . A A . 30 ARG H 1 1 10 4349 1 1 30 ARG HA H 1.113 -2.925 2.636 1.00 . A A . 30 ARG HA 1 1 10 4350 1 1 30 ARG HB2 H -1.227 -4.339 2.543 1.00 . A A . 30 ARG HB2 1 1 10 4351 1 1 30 ARG HB3 H -0.998 -4.136 4.268 1.00 . A A . 30 ARG HB3 1 1 10 4352 1 1 30 ARG HD2 H -3.153 -1.306 3.438 1.00 . A A . 30 ARG HD2 1 1 10 4353 1 1 30 ARG HD3 H -3.192 -2.640 2.286 1.00 . A A . 30 ARG HD3 1 1 10 4354 1 1 30 ARG HE H -3.780 -4.024 3.998 1.00 . A A . 30 ARG HE 1 1 10 4355 1 1 30 ARG HG2 H -0.923 -1.749 4.039 1.00 . A A . 30 ARG HG2 1 1 10 4356 1 1 30 ARG HG3 H -0.966 -1.880 2.280 1.00 . A A . 30 ARG HG3 1 1 10 4357 1 1 30 ARG HH11 H -2.309 -1.168 5.358 1.00 . A A . 30 ARG HH11 1 1 10 4358 1 1 30 ARG HH12 H -2.639 -1.624 6.995 1.00 . A A . 30 ARG HH12 1 1 10 4359 1 1 30 ARG HH21 H -4.216 -4.627 6.151 1.00 . A A . 30 ARG HH21 1 1 10 4360 1 1 30 ARG HH22 H -3.722 -3.588 7.446 1.00 . A A . 30 ARG HH22 1 1 10 4361 1 1 30 ARG N N 1.097 -4.939 2.224 1.00 . A A . 30 ARG N 1 1 10 4362 1 1 30 ARG NE N -3.346 -3.194 4.286 1.00 . A A . 30 ARG NE 1 1 10 4363 1 1 30 ARG NH1 N -2.692 -1.816 6.015 1.00 . A A . 30 ARG NH1 1 1 10 4364 1 1 30 ARG NH2 N -3.778 -3.785 6.466 1.00 . A A . 30 ARG NH2 1 1 10 4365 1 1 30 ARG O O 1.445 -3.038 5.266 1.00 . A A . 30 ARG O 1 1 10 4366 1 1 31 THR C C 3.957 -6.292 5.676 1.00 . A A . 31 THR C 1 1 10 4367 1 1 31 THR CA C 2.753 -5.385 5.916 1.00 . A A . 31 THR CA 1 1 10 4368 1 1 31 THR CB C 1.790 -6.029 6.917 1.00 . A A . 31 THR CB 1 1 10 4369 1 1 31 THR CG2 C 2.473 -6.594 8.145 1.00 . A A . 31 THR CG2 1 1 10 4370 1 1 31 THR H H 2.023 -5.801 3.980 1.00 . A A . 31 THR H 1 1 10 4371 1 1 31 THR HA H 3.096 -4.441 6.312 1.00 . A A . 31 THR HA 1 1 10 4372 1 1 31 THR HB H 1.269 -6.837 6.423 1.00 . A A . 31 THR HB 1 1 10 4373 1 1 31 THR HG1 H -0.051 -5.462 7.271 1.00 . A A . 31 THR HG1 1 1 10 4374 1 1 31 THR HG21 H 1.738 -7.059 8.784 1.00 . A A . 31 THR HG21 1 1 10 4375 1 1 31 THR HG22 H 2.965 -5.797 8.683 1.00 . A A . 31 THR HG22 1 1 10 4376 1 1 31 THR HG23 H 3.205 -7.330 7.844 1.00 . A A . 31 THR HG23 1 1 10 4377 1 1 31 THR N N 2.056 -5.113 4.672 1.00 . A A . 31 THR N 1 1 10 4378 1 1 31 THR O O 3.889 -7.237 4.892 1.00 . A A . 31 THR O 1 1 10 4379 1 1 31 THR OG1 O 0.828 -5.088 7.359 1.00 . A A . 31 THR OG1 1 1 10 4380 2 2 1 ZN ZN ZN 3.831 0.745 -2.377 1.00 . B A . 32 ZN ZN 1 1 11 4381 1 1 1 GLY C C -18.684 1.841 -2.931 1.00 . A A . 1 GLY C 1 1 11 4382 1 1 1 GLY CA C -19.249 2.890 -3.868 1.00 . A A . 1 GLY CA 1 1 11 4383 1 1 1 GLY H1 H -18.602 4.344 -5.220 1.00 . A A . 1 GLY H1 1 1 11 4384 1 1 1 GLY H2 H -17.797 2.864 -5.368 1.00 . A A . 1 GLY H2 1 1 11 4385 1 1 1 GLY H3 H -17.433 3.899 -4.081 1.00 . A A . 1 GLY H3 1 1 11 4386 1 1 1 GLY HA2 H -19.753 3.645 -3.282 1.00 . A A . 1 GLY HA2 1 1 11 4387 1 1 1 GLY HA3 H -19.966 2.422 -4.525 1.00 . A A . 1 GLY HA3 1 1 11 4388 1 1 1 GLY N N -18.196 3.545 -4.692 1.00 . A A . 1 GLY N 1 1 11 4389 1 1 1 GLY O O -17.982 2.168 -1.973 1.00 . A A . 1 GLY O 1 1 11 4390 1 1 2 SER C C -16.981 -0.563 -2.364 1.00 . A A . 2 SER C 1 1 11 4391 1 1 2 SER CA C -18.506 -0.524 -2.383 1.00 . A A . 2 SER CA 1 1 11 4392 1 1 2 SER CB C -19.056 -1.855 -2.899 1.00 . A A . 2 SER CB 1 1 11 4393 1 1 2 SER H H -19.552 0.381 -3.985 1.00 . A A . 2 SER H 1 1 11 4394 1 1 2 SER HA H -18.862 -0.364 -1.376 1.00 . A A . 2 SER HA 1 1 11 4395 1 1 2 SER HB2 H -18.775 -1.980 -3.934 1.00 . A A . 2 SER HB2 1 1 11 4396 1 1 2 SER HB3 H -18.643 -2.663 -2.313 1.00 . A A . 2 SER HB3 1 1 11 4397 1 1 2 SER HG H -20.731 -2.626 -2.236 1.00 . A A . 2 SER HG 1 1 11 4398 1 1 2 SER N N -18.989 0.577 -3.207 1.00 . A A . 2 SER N 1 1 11 4399 1 1 2 SER O O -16.358 -1.226 -3.193 1.00 . A A . 2 SER O 1 1 11 4400 1 1 2 SER OG O -20.469 -1.896 -2.802 1.00 . A A . 2 SER OG 1 1 11 4401 1 1 3 THR C C -14.526 0.744 0.077 1.00 . A A . 3 THR C 1 1 11 4402 1 1 3 THR CA C -14.936 0.201 -1.288 1.00 . A A . 3 THR CA 1 1 11 4403 1 1 3 THR CB C -14.335 1.067 -2.397 1.00 . A A . 3 THR CB 1 1 11 4404 1 1 3 THR CG2 C -12.824 1.139 -2.349 1.00 . A A . 3 THR CG2 1 1 11 4405 1 1 3 THR H H -16.939 0.660 -0.784 1.00 . A A . 3 THR H 1 1 11 4406 1 1 3 THR HA H -14.561 -0.808 -1.389 1.00 . A A . 3 THR HA 1 1 11 4407 1 1 3 THR HB H -14.718 2.073 -2.299 1.00 . A A . 3 THR HB 1 1 11 4408 1 1 3 THR HG1 H -14.643 1.281 -4.319 1.00 . A A . 3 THR HG1 1 1 11 4409 1 1 3 THR HG21 H -12.508 1.420 -1.355 1.00 . A A . 3 THR HG21 1 1 11 4410 1 1 3 THR HG22 H -12.477 1.876 -3.059 1.00 . A A . 3 THR HG22 1 1 11 4411 1 1 3 THR HG23 H -12.409 0.174 -2.600 1.00 . A A . 3 THR HG23 1 1 11 4412 1 1 3 THR N N -16.388 0.153 -1.414 1.00 . A A . 3 THR N 1 1 11 4413 1 1 3 THR O O -14.799 1.898 0.404 1.00 . A A . 3 THR O 1 1 11 4414 1 1 3 THR OG1 O -14.702 0.574 -3.673 1.00 . A A . 3 THR OG1 1 1 11 4415 1 1 4 SER C C -12.458 1.480 2.117 1.00 . A A . 4 SER C 1 1 11 4416 1 1 4 SER CA C -13.421 0.299 2.199 1.00 . A A . 4 SER CA 1 1 11 4417 1 1 4 SER CB C -12.746 -0.879 2.905 1.00 . A A . 4 SER CB 1 1 11 4418 1 1 4 SER H H -13.681 -1.005 0.552 1.00 . A A . 4 SER H 1 1 11 4419 1 1 4 SER HA H -14.290 0.598 2.767 1.00 . A A . 4 SER HA 1 1 11 4420 1 1 4 SER HB2 H -11.674 -0.777 2.828 1.00 . A A . 4 SER HB2 1 1 11 4421 1 1 4 SER HB3 H -13.033 -0.885 3.946 1.00 . A A . 4 SER HB3 1 1 11 4422 1 1 4 SER HG H -14.061 -2.271 2.488 1.00 . A A . 4 SER HG 1 1 11 4423 1 1 4 SER N N -13.869 -0.098 0.870 1.00 . A A . 4 SER N 1 1 11 4424 1 1 4 SER O O -12.343 2.128 1.076 1.00 . A A . 4 SER O 1 1 11 4425 1 1 4 SER OG O -13.129 -2.112 2.320 1.00 . A A . 4 SER OG 1 1 11 4426 1 1 5 ALA C C -9.480 2.459 2.661 1.00 . A A . 5 ALA C 1 1 11 4427 1 1 5 ALA CA C -10.819 2.859 3.271 1.00 . A A . 5 ALA CA 1 1 11 4428 1 1 5 ALA CB C -10.628 3.326 4.706 1.00 . A A . 5 ALA CB 1 1 11 4429 1 1 5 ALA H H -11.905 1.204 4.019 1.00 . A A . 5 ALA H 1 1 11 4430 1 1 5 ALA HA H -11.231 3.680 2.702 1.00 . A A . 5 ALA HA 1 1 11 4431 1 1 5 ALA HB1 H -10.264 2.505 5.307 1.00 . A A . 5 ALA HB1 1 1 11 4432 1 1 5 ALA HB2 H -11.573 3.669 5.101 1.00 . A A . 5 ALA HB2 1 1 11 4433 1 1 5 ALA HB3 H -9.912 4.134 4.730 1.00 . A A . 5 ALA HB3 1 1 11 4434 1 1 5 ALA N N -11.770 1.756 3.220 1.00 . A A . 5 ALA N 1 1 11 4435 1 1 5 ALA O O -8.975 1.364 2.910 1.00 . A A . 5 ALA O 1 1 11 4436 1 1 6 MET C C -6.490 3.170 2.226 1.00 . A A . 6 MET C 1 1 11 4437 1 1 6 MET CA C -7.628 3.096 1.217 1.00 . A A . 6 MET CA 1 1 11 4438 1 1 6 MET CB C -7.390 4.115 0.103 1.00 . A A . 6 MET CB 1 1 11 4439 1 1 6 MET CE C -10.489 5.201 -0.651 1.00 . A A . 6 MET CE 1 1 11 4440 1 1 6 MET CG C -8.151 3.809 -1.178 1.00 . A A . 6 MET CG 1 1 11 4441 1 1 6 MET H H -9.357 4.209 1.703 1.00 . A A . 6 MET H 1 1 11 4442 1 1 6 MET HA H -7.660 2.105 0.791 1.00 . A A . 6 MET HA 1 1 11 4443 1 1 6 MET HB2 H -7.690 5.087 0.455 1.00 . A A . 6 MET HB2 1 1 11 4444 1 1 6 MET HB3 H -6.337 4.139 -0.126 1.00 . A A . 6 MET HB3 1 1 11 4445 1 1 6 MET HE1 H -11.410 5.181 -1.215 1.00 . A A . 6 MET HE1 1 1 11 4446 1 1 6 MET HE2 H -10.465 6.086 -0.034 1.00 . A A . 6 MET HE2 1 1 11 4447 1 1 6 MET HE3 H -10.432 4.322 -0.025 1.00 . A A . 6 MET HE3 1 1 11 4448 1 1 6 MET HG2 H -7.444 3.519 -1.940 1.00 . A A . 6 MET HG2 1 1 11 4449 1 1 6 MET HG3 H -8.830 2.991 -0.989 1.00 . A A . 6 MET HG3 1 1 11 4450 1 1 6 MET N N -8.908 3.353 1.863 1.00 . A A . 6 MET N 1 1 11 4451 1 1 6 MET O O -6.714 3.423 3.410 1.00 . A A . 6 MET O 1 1 11 4452 1 1 6 MET SD S -9.099 5.221 -1.780 1.00 . A A . 6 MET SD 1 1 11 4453 1 1 7 TRP C C -2.933 3.718 1.944 1.00 . A A . 7 TRP C 1 1 11 4454 1 1 7 TRP CA C -4.101 3.017 2.621 1.00 . A A . 7 TRP CA 1 1 11 4455 1 1 7 TRP CB C -3.680 1.620 3.091 1.00 . A A . 7 TRP CB 1 1 11 4456 1 1 7 TRP CD1 C -4.295 -0.082 1.257 1.00 . A A . 7 TRP CD1 1 1 11 4457 1 1 7 TRP CD2 C -2.094 0.249 1.515 1.00 . A A . 7 TRP CD2 1 1 11 4458 1 1 7 TRP CE2 C -2.288 -0.706 0.498 1.00 . A A . 7 TRP CE2 1 1 11 4459 1 1 7 TRP CE3 C -0.787 0.618 1.851 1.00 . A A . 7 TRP CE3 1 1 11 4460 1 1 7 TRP CG C -3.389 0.638 1.990 1.00 . A A . 7 TRP CG 1 1 11 4461 1 1 7 TRP CH2 C 0.043 -0.916 0.167 1.00 . A A . 7 TRP CH2 1 1 11 4462 1 1 7 TRP CZ2 C -1.227 -1.296 -0.182 1.00 . A A . 7 TRP CZ2 1 1 11 4463 1 1 7 TRP CZ3 C 0.266 0.032 1.173 1.00 . A A . 7 TRP CZ3 1 1 11 4464 1 1 7 TRP H H -5.152 2.774 0.796 1.00 . A A . 7 TRP H 1 1 11 4465 1 1 7 TRP HA H -4.381 3.597 3.489 1.00 . A A . 7 TRP HA 1 1 11 4466 1 1 7 TRP HB2 H -2.784 1.712 3.688 1.00 . A A . 7 TRP HB2 1 1 11 4467 1 1 7 TRP HB3 H -4.464 1.212 3.705 1.00 . A A . 7 TRP HB3 1 1 11 4468 1 1 7 TRP HD1 H -5.366 -0.013 1.379 1.00 . A A . 7 TRP HD1 1 1 11 4469 1 1 7 TRP HE1 H -4.067 -1.505 -0.287 1.00 . A A . 7 TRP HE1 1 1 11 4470 1 1 7 TRP HE3 H -0.594 1.347 2.623 1.00 . A A . 7 TRP HE3 1 1 11 4471 1 1 7 TRP HH2 H 0.898 -1.344 -0.340 1.00 . A A . 7 TRP HH2 1 1 11 4472 1 1 7 TRP HZ2 H -1.385 -2.035 -0.953 1.00 . A A . 7 TRP HZ2 1 1 11 4473 1 1 7 TRP HZ3 H 1.281 0.304 1.418 1.00 . A A . 7 TRP HZ3 1 1 11 4474 1 1 7 TRP N N -5.269 2.959 1.751 1.00 . A A . 7 TRP N 1 1 11 4475 1 1 7 TRP NE1 N -3.638 -0.893 0.357 1.00 . A A . 7 TRP NE1 1 1 11 4476 1 1 7 TRP O O -2.891 3.853 0.722 1.00 . A A . 7 TRP O 1 1 11 4477 1 1 8 ALA C C 0.443 3.995 2.472 1.00 . A A . 8 ALA C 1 1 11 4478 1 1 8 ALA CA C -0.800 4.850 2.266 1.00 . A A . 8 ALA CA 1 1 11 4479 1 1 8 ALA CB C -0.642 6.194 2.962 1.00 . A A . 8 ALA CB 1 1 11 4480 1 1 8 ALA H H -2.087 4.011 3.725 1.00 . A A . 8 ALA H 1 1 11 4481 1 1 8 ALA HA H -0.934 5.029 1.207 1.00 . A A . 8 ALA HA 1 1 11 4482 1 1 8 ALA HB1 H -1.527 6.792 2.796 1.00 . A A . 8 ALA HB1 1 1 11 4483 1 1 8 ALA HB2 H 0.219 6.708 2.561 1.00 . A A . 8 ALA HB2 1 1 11 4484 1 1 8 ALA HB3 H -0.507 6.037 4.022 1.00 . A A . 8 ALA HB3 1 1 11 4485 1 1 8 ALA N N -1.986 4.159 2.760 1.00 . A A . 8 ALA N 1 1 11 4486 1 1 8 ALA O O 0.794 3.653 3.602 1.00 . A A . 8 ALA O 1 1 11 4487 1 1 9 CYS C C 3.452 3.556 2.096 1.00 . A A . 9 CYS C 1 1 11 4488 1 1 9 CYS CA C 2.297 2.818 1.433 1.00 . A A . 9 CYS CA 1 1 11 4489 1 1 9 CYS CB C 2.702 2.374 0.032 1.00 . A A . 9 CYS CB 1 1 11 4490 1 1 9 CYS H H 0.774 3.944 0.503 1.00 . A A . 9 CYS H 1 1 11 4491 1 1 9 CYS HA H 2.063 1.946 2.021 1.00 . A A . 9 CYS HA 1 1 11 4492 1 1 9 CYS HB2 H 1.818 2.070 -0.512 1.00 . A A . 9 CYS HB2 1 1 11 4493 1 1 9 CYS HB3 H 3.165 3.204 -0.481 1.00 . A A . 9 CYS HB3 1 1 11 4494 1 1 9 CYS N N 1.101 3.643 1.375 1.00 . A A . 9 CYS N 1 1 11 4495 1 1 9 CYS O O 3.441 4.781 2.205 1.00 . A A . 9 CYS O 1 1 11 4496 1 1 9 CYS SG S 3.867 0.989 0.006 1.00 . A A . 9 CYS SG 1 1 11 4497 1 1 10 GLN C C 6.888 3.025 2.385 1.00 . A A . 10 GLN C 1 1 11 4498 1 1 10 GLN CA C 5.623 3.372 3.167 1.00 . A A . 10 GLN CA 1 1 11 4499 1 1 10 GLN CB C 5.746 2.877 4.610 1.00 . A A . 10 GLN CB 1 1 11 4500 1 1 10 GLN CD C 3.921 1.361 5.479 1.00 . A A . 10 GLN CD 1 1 11 4501 1 1 10 GLN CG C 4.415 2.788 5.340 1.00 . A A . 10 GLN CG 1 1 11 4502 1 1 10 GLN H H 4.405 1.826 2.405 1.00 . A A . 10 GLN H 1 1 11 4503 1 1 10 GLN HA H 5.499 4.445 3.171 1.00 . A A . 10 GLN HA 1 1 11 4504 1 1 10 GLN HB2 H 6.195 1.894 4.603 1.00 . A A . 10 GLN HB2 1 1 11 4505 1 1 10 GLN HB3 H 6.388 3.551 5.157 1.00 . A A . 10 GLN HB3 1 1 11 4506 1 1 10 GLN HE21 H 2.949 1.504 3.750 1.00 . A A . 10 GLN HE21 1 1 11 4507 1 1 10 GLN HE22 H 2.819 -0.016 4.560 1.00 . A A . 10 GLN HE22 1 1 11 4508 1 1 10 GLN HG2 H 4.533 3.209 6.328 1.00 . A A . 10 GLN HG2 1 1 11 4509 1 1 10 GLN HG3 H 3.680 3.358 4.793 1.00 . A A . 10 GLN HG3 1 1 11 4510 1 1 10 GLN N N 4.452 2.797 2.527 1.00 . A A . 10 GLN N 1 1 11 4511 1 1 10 GLN NE2 N 3.151 0.904 4.498 1.00 . A A . 10 GLN NE2 1 1 11 4512 1 1 10 GLN O O 7.959 2.848 2.965 1.00 . A A . 10 GLN O 1 1 11 4513 1 1 10 GLN OE1 O 4.226 0.678 6.456 1.00 . A A . 10 GLN OE1 1 1 11 4514 1 1 11 HIS C C 7.843 3.510 -1.030 1.00 . A A . 11 HIS C 1 1 11 4515 1 1 11 HIS CA C 7.885 2.618 0.199 1.00 . A A . 11 HIS CA 1 1 11 4516 1 1 11 HIS CB C 7.851 1.146 -0.213 1.00 . A A . 11 HIS CB 1 1 11 4517 1 1 11 HIS CD2 C 10.236 0.865 -1.177 1.00 . A A . 11 HIS CD2 1 1 11 4518 1 1 11 HIS CE1 C 10.867 -0.864 0.022 1.00 . A A . 11 HIS CE1 1 1 11 4519 1 1 11 HIS CG C 9.201 0.537 -0.366 1.00 . A A . 11 HIS CG 1 1 11 4520 1 1 11 HIS H H 5.877 3.095 0.654 1.00 . A A . 11 HIS H 1 1 11 4521 1 1 11 HIS HA H 8.794 2.816 0.746 1.00 . A A . 11 HIS HA 1 1 11 4522 1 1 11 HIS HB2 H 7.315 0.582 0.535 1.00 . A A . 11 HIS HB2 1 1 11 4523 1 1 11 HIS HB3 H 7.338 1.057 -1.160 1.00 . A A . 11 HIS HB3 1 1 11 4524 1 1 11 HIS HD1 H 9.097 -1.020 1.050 1.00 . A A . 11 HIS HD1 1 1 11 4525 1 1 11 HIS HD2 H 10.260 1.671 -1.894 1.00 . A A . 11 HIS HD2 1 1 11 4526 1 1 11 HIS HE1 H 11.448 -1.671 0.431 1.00 . A A . 11 HIS HE1 1 1 11 4527 1 1 11 HIS HE2 H 12.099 -0.083 -1.414 1.00 . A A . 11 HIS HE2 1 1 11 4528 1 1 11 HIS N N 6.757 2.935 1.063 1.00 . A A . 11 HIS N 1 1 11 4529 1 1 11 HIS ND1 N 9.630 -0.551 0.372 1.00 . A A . 11 HIS ND1 1 1 11 4530 1 1 11 HIS NE2 N 11.255 -0.020 -0.916 1.00 . A A . 11 HIS NE2 1 1 11 4531 1 1 11 HIS O O 8.760 4.292 -1.281 1.00 . A A . 11 HIS O 1 1 11 4532 1 1 12 CYS C C 5.966 5.561 -2.550 1.00 . A A . 12 CYS C 1 1 11 4533 1 1 12 CYS CA C 6.556 4.218 -2.956 1.00 . A A . 12 CYS CA 1 1 11 4534 1 1 12 CYS CB C 5.627 3.506 -3.931 1.00 . A A . 12 CYS CB 1 1 11 4535 1 1 12 CYS H H 6.047 2.784 -1.516 1.00 . A A . 12 CYS H 1 1 11 4536 1 1 12 CYS HA H 7.516 4.375 -3.424 1.00 . A A . 12 CYS HA 1 1 11 4537 1 1 12 CYS HB2 H 5.356 4.194 -4.696 1.00 . A A . 12 CYS HB2 1 1 11 4538 1 1 12 CYS HB3 H 6.145 2.667 -4.370 1.00 . A A . 12 CYS HB3 1 1 11 4539 1 1 12 CYS N N 6.751 3.406 -1.778 1.00 . A A . 12 CYS N 1 1 11 4540 1 1 12 CYS O O 6.261 6.590 -3.153 1.00 . A A . 12 CYS O 1 1 11 4541 1 1 12 CYS SG S 4.094 2.891 -3.203 1.00 . A A . 12 CYS SG 1 1 11 4542 1 1 13 THR C C 3.253 7.108 -1.765 1.00 . A A . 13 THR C 1 1 11 4543 1 1 13 THR CA C 4.485 6.711 -0.954 1.00 . A A . 13 THR CA 1 1 11 4544 1 1 13 THR CB C 5.478 7.882 -0.829 1.00 . A A . 13 THR CB 1 1 11 4545 1 1 13 THR CG2 C 5.531 8.809 -2.031 1.00 . A A . 13 THR CG2 1 1 11 4546 1 1 13 THR H H 4.965 4.652 -1.083 1.00 . A A . 13 THR H 1 1 11 4547 1 1 13 THR HA H 4.152 6.448 0.039 1.00 . A A . 13 THR HA 1 1 11 4548 1 1 13 THR HB H 6.468 7.474 -0.684 1.00 . A A . 13 THR HB 1 1 11 4549 1 1 13 THR HG1 H 5.913 8.690 0.900 1.00 . A A . 13 THR HG1 1 1 11 4550 1 1 13 THR HG21 H 5.056 9.746 -1.783 1.00 . A A . 13 THR HG21 1 1 11 4551 1 1 13 THR HG22 H 5.015 8.354 -2.865 1.00 . A A . 13 THR HG22 1 1 11 4552 1 1 13 THR HG23 H 6.561 8.989 -2.301 1.00 . A A . 13 THR HG23 1 1 11 4553 1 1 13 THR N N 5.139 5.521 -1.506 1.00 . A A . 13 THR N 1 1 11 4554 1 1 13 THR O O 2.972 8.292 -1.956 1.00 . A A . 13 THR O 1 1 11 4555 1 1 13 THR OG1 O 5.164 8.678 0.299 1.00 . A A . 13 THR OG1 1 1 11 4556 1 1 14 PHE C C 0.096 5.774 -2.270 1.00 . A A . 14 PHE C 1 1 11 4557 1 1 14 PHE CA C 1.304 6.348 -2.989 1.00 . A A . 14 PHE CA 1 1 11 4558 1 1 14 PHE CB C 1.425 5.722 -4.378 1.00 . A A . 14 PHE CB 1 1 11 4559 1 1 14 PHE CD1 C -0.058 7.302 -5.645 1.00 . A A . 14 PHE CD1 1 1 11 4560 1 1 14 PHE CD2 C -0.535 4.966 -5.751 1.00 . A A . 14 PHE CD2 1 1 11 4561 1 1 14 PHE CE1 C -1.135 7.562 -6.472 1.00 . A A . 14 PHE CE1 1 1 11 4562 1 1 14 PHE CE2 C -1.613 5.221 -6.578 1.00 . A A . 14 PHE CE2 1 1 11 4563 1 1 14 PHE CG C 0.253 6.002 -5.275 1.00 . A A . 14 PHE CG 1 1 11 4564 1 1 14 PHE CZ C -1.913 6.520 -6.938 1.00 . A A . 14 PHE CZ 1 1 11 4565 1 1 14 PHE H H 2.772 5.189 -2.025 1.00 . A A . 14 PHE H 1 1 11 4566 1 1 14 PHE HA H 1.177 7.414 -3.093 1.00 . A A . 14 PHE HA 1 1 11 4567 1 1 14 PHE HB2 H 2.304 6.110 -4.858 1.00 . A A . 14 PHE HB2 1 1 11 4568 1 1 14 PHE HB3 H 1.517 4.653 -4.275 1.00 . A A . 14 PHE HB3 1 1 11 4569 1 1 14 PHE HD1 H 0.549 8.116 -5.281 1.00 . A A . 14 PHE HD1 1 1 11 4570 1 1 14 PHE HD2 H -0.301 3.951 -5.470 1.00 . A A . 14 PHE HD2 1 1 11 4571 1 1 14 PHE HE1 H -1.368 8.579 -6.752 1.00 . A A . 14 PHE HE1 1 1 11 4572 1 1 14 PHE HE2 H -2.220 4.405 -6.941 1.00 . A A . 14 PHE HE2 1 1 11 4573 1 1 14 PHE HZ H -2.755 6.721 -7.585 1.00 . A A . 14 PHE HZ 1 1 11 4574 1 1 14 PHE N N 2.510 6.109 -2.221 1.00 . A A . 14 PHE N 1 1 11 4575 1 1 14 PHE O O 0.228 4.964 -1.352 1.00 . A A . 14 PHE O 1 1 11 4576 1 1 15 MET C C -2.736 4.416 -2.772 1.00 . A A . 15 MET C 1 1 11 4577 1 1 15 MET CA C -2.322 5.715 -2.113 1.00 . A A . 15 MET CA 1 1 11 4578 1 1 15 MET CB C -3.427 6.762 -2.255 1.00 . A A . 15 MET CB 1 1 11 4579 1 1 15 MET CE C -6.561 6.795 -3.703 1.00 . A A . 15 MET CE 1 1 11 4580 1 1 15 MET CG C -4.755 6.332 -1.653 1.00 . A A . 15 MET CG 1 1 11 4581 1 1 15 MET H H -1.109 6.829 -3.440 1.00 . A A . 15 MET H 1 1 11 4582 1 1 15 MET HA H -2.144 5.521 -1.064 1.00 . A A . 15 MET HA 1 1 11 4583 1 1 15 MET HB2 H -3.112 7.672 -1.765 1.00 . A A . 15 MET HB2 1 1 11 4584 1 1 15 MET HB3 H -3.582 6.966 -3.305 1.00 . A A . 15 MET HB3 1 1 11 4585 1 1 15 MET HE1 H -7.088 7.425 -3.002 1.00 . A A . 15 MET HE1 1 1 11 4586 1 1 15 MET HE2 H -7.257 6.405 -4.431 1.00 . A A . 15 MET HE2 1 1 11 4587 1 1 15 MET HE3 H -5.801 7.374 -4.207 1.00 . A A . 15 MET HE3 1 1 11 4588 1 1 15 MET HG2 H -4.560 5.692 -0.806 1.00 . A A . 15 MET HG2 1 1 11 4589 1 1 15 MET HG3 H -5.287 7.212 -1.322 1.00 . A A . 15 MET HG3 1 1 11 4590 1 1 15 MET N N -1.080 6.192 -2.702 1.00 . A A . 15 MET N 1 1 11 4591 1 1 15 MET O O -2.417 4.166 -3.934 1.00 . A A . 15 MET O 1 1 11 4592 1 1 15 MET SD S -5.792 5.437 -2.825 1.00 . A A . 15 MET SD 1 1 11 4593 1 1 16 ASN C C -5.236 1.917 -2.058 1.00 . A A . 16 ASN C 1 1 11 4594 1 1 16 ASN CA C -3.826 2.281 -2.517 1.00 . A A . 16 ASN CA 1 1 11 4595 1 1 16 ASN CB C -2.825 1.244 -2.033 1.00 . A A . 16 ASN CB 1 1 11 4596 1 1 16 ASN CG C -2.619 0.125 -3.026 1.00 . A A . 16 ASN CG 1 1 11 4597 1 1 16 ASN H H -3.612 3.813 -1.085 1.00 . A A . 16 ASN H 1 1 11 4598 1 1 16 ASN HA H -3.803 2.316 -3.595 1.00 . A A . 16 ASN HA 1 1 11 4599 1 1 16 ASN HB2 H -1.874 1.726 -1.865 1.00 . A A . 16 ASN HB2 1 1 11 4600 1 1 16 ASN HB3 H -3.177 0.831 -1.107 1.00 . A A . 16 ASN HB3 1 1 11 4601 1 1 16 ASN HD21 H -1.217 1.186 -3.955 1.00 . A A . 16 ASN HD21 1 1 11 4602 1 1 16 ASN HD22 H -1.548 -0.372 -4.625 1.00 . A A . 16 ASN HD22 1 1 11 4603 1 1 16 ASN N N -3.413 3.573 -2.013 1.00 . A A . 16 ASN N 1 1 11 4604 1 1 16 ASN ND2 N -1.702 0.333 -3.963 1.00 . A A . 16 ASN ND2 1 1 11 4605 1 1 16 ASN O O -5.667 2.306 -0.975 1.00 . A A . 16 ASN O 1 1 11 4606 1 1 16 ASN OD1 O -3.272 -0.911 -2.953 1.00 . A A . 16 ASN OD1 1 1 11 4607 1 1 17 GLN C C -7.339 -0.188 -1.366 1.00 . A A . 17 GLN C 1 1 11 4608 1 1 17 GLN CA C -7.310 0.744 -2.579 1.00 . A A . 17 GLN CA 1 1 11 4609 1 1 17 GLN CB C -7.929 0.054 -3.786 1.00 . A A . 17 GLN CB 1 1 11 4610 1 1 17 GLN CD C -9.977 1.479 -4.189 1.00 . A A . 17 GLN CD 1 1 11 4611 1 1 17 GLN CG C -8.643 1.005 -4.732 1.00 . A A . 17 GLN CG 1 1 11 4612 1 1 17 GLN H H -5.547 0.882 -3.742 1.00 . A A . 17 GLN H 1 1 11 4613 1 1 17 GLN HA H -7.881 1.623 -2.358 1.00 . A A . 17 GLN HA 1 1 11 4614 1 1 17 GLN HB2 H -7.146 -0.432 -4.331 1.00 . A A . 17 GLN HB2 1 1 11 4615 1 1 17 GLN HB3 H -8.637 -0.686 -3.446 1.00 . A A . 17 GLN HB3 1 1 11 4616 1 1 17 GLN HE21 H -9.112 3.087 -3.403 1.00 . A A . 17 GLN HE21 1 1 11 4617 1 1 17 GLN HE22 H -10.816 2.953 -3.151 1.00 . A A . 17 GLN HE22 1 1 11 4618 1 1 17 GLN HG2 H -8.014 1.867 -4.897 1.00 . A A . 17 GLN HG2 1 1 11 4619 1 1 17 GLN HG3 H -8.811 0.499 -5.671 1.00 . A A . 17 GLN HG3 1 1 11 4620 1 1 17 GLN N N -5.947 1.163 -2.892 1.00 . A A . 17 GLN N 1 1 11 4621 1 1 17 GLN NE2 N -9.967 2.622 -3.513 1.00 . A A . 17 GLN NE2 1 1 11 4622 1 1 17 GLN O O -6.305 -0.712 -0.952 1.00 . A A . 17 GLN O 1 1 11 4623 1 1 17 GLN OE1 O -11.004 0.828 -4.378 1.00 . A A . 17 GLN OE1 1 1 11 4624 1 1 18 PRO C C -8.614 -2.752 0.065 1.00 . A A . 18 PRO C 1 1 11 4625 1 1 18 PRO CA C -8.690 -1.263 0.401 1.00 . A A . 18 PRO CA 1 1 11 4626 1 1 18 PRO CB C -10.084 -0.905 0.909 1.00 . A A . 18 PRO CB 1 1 11 4627 1 1 18 PRO CD C -9.813 0.195 -1.200 1.00 . A A . 18 PRO CD 1 1 11 4628 1 1 18 PRO CG C -10.827 -0.470 -0.307 1.00 . A A . 18 PRO CG 1 1 11 4629 1 1 18 PRO HA H -7.958 -1.032 1.161 1.00 . A A . 18 PRO HA 1 1 11 4630 1 1 18 PRO HB2 H -10.540 -1.774 1.361 1.00 . A A . 18 PRO HB2 1 1 11 4631 1 1 18 PRO HB3 H -10.014 -0.109 1.634 1.00 . A A . 18 PRO HB3 1 1 11 4632 1 1 18 PRO HD2 H -10.019 -0.033 -2.234 1.00 . A A . 18 PRO HD2 1 1 11 4633 1 1 18 PRO HD3 H -9.815 1.263 -1.041 1.00 . A A . 18 PRO HD3 1 1 11 4634 1 1 18 PRO HG2 H -11.255 -1.329 -0.802 1.00 . A A . 18 PRO HG2 1 1 11 4635 1 1 18 PRO HG3 H -11.601 0.232 -0.032 1.00 . A A . 18 PRO HG3 1 1 11 4636 1 1 18 PRO N N -8.530 -0.399 -0.774 1.00 . A A . 18 PRO N 1 1 11 4637 1 1 18 PRO O O -8.656 -3.597 0.958 1.00 . A A . 18 PRO O 1 1 11 4638 1 1 19 GLY C C -7.033 -4.852 -2.083 1.00 . A A . 19 GLY C 1 1 11 4639 1 1 19 GLY CA C -8.426 -4.459 -1.634 1.00 . A A . 19 GLY CA 1 1 11 4640 1 1 19 GLY H H -8.473 -2.359 -1.895 1.00 . A A . 19 GLY H 1 1 11 4641 1 1 19 GLY HA2 H -8.716 -5.088 -0.805 1.00 . A A . 19 GLY HA2 1 1 11 4642 1 1 19 GLY HA3 H -9.114 -4.620 -2.451 1.00 . A A . 19 GLY HA3 1 1 11 4643 1 1 19 GLY N N -8.504 -3.070 -1.222 1.00 . A A . 19 GLY N 1 1 11 4644 1 1 19 GLY O O -6.689 -6.033 -2.110 1.00 . A A . 19 GLY O 1 1 11 4645 1 1 20 THR C C -3.878 -3.960 -1.740 1.00 . A A . 20 THR C 1 1 11 4646 1 1 20 THR CA C -4.866 -4.089 -2.888 1.00 . A A . 20 THR CA 1 1 11 4647 1 1 20 THR CB C -4.499 -3.098 -3.987 1.00 . A A . 20 THR CB 1 1 11 4648 1 1 20 THR CG2 C -4.701 -3.650 -5.374 1.00 . A A . 20 THR CG2 1 1 11 4649 1 1 20 THR H H -6.564 -2.934 -2.393 1.00 . A A . 20 THR H 1 1 11 4650 1 1 20 THR HA H -4.806 -5.090 -3.285 1.00 . A A . 20 THR HA 1 1 11 4651 1 1 20 THR HB H -3.456 -2.836 -3.885 1.00 . A A . 20 THR HB 1 1 11 4652 1 1 20 THR HG1 H -6.180 -2.105 -4.135 1.00 . A A . 20 THR HG1 1 1 11 4653 1 1 20 THR HG21 H -5.719 -3.472 -5.683 1.00 . A A . 20 THR HG21 1 1 11 4654 1 1 20 THR HG22 H -4.504 -4.711 -5.368 1.00 . A A . 20 THR HG22 1 1 11 4655 1 1 20 THR HG23 H -4.024 -3.159 -6.054 1.00 . A A . 20 THR HG23 1 1 11 4656 1 1 20 THR N N -6.229 -3.854 -2.436 1.00 . A A . 20 THR N 1 1 11 4657 1 1 20 THR O O -3.120 -2.995 -1.673 1.00 . A A . 20 THR O 1 1 11 4658 1 1 20 THR OG1 O -5.274 -1.918 -3.879 1.00 . A A . 20 THR OG1 1 1 11 4659 1 1 21 GLY C C -1.521 -4.758 -0.205 1.00 . A A . 21 GLY C 1 1 11 4660 1 1 21 GLY CA C -2.950 -4.895 0.269 1.00 . A A . 21 GLY CA 1 1 11 4661 1 1 21 GLY H H -4.491 -5.692 -0.945 1.00 . A A . 21 GLY H 1 1 11 4662 1 1 21 GLY HA2 H -3.195 -4.052 0.899 1.00 . A A . 21 GLY HA2 1 1 11 4663 1 1 21 GLY HA3 H -3.042 -5.799 0.840 1.00 . A A . 21 GLY HA3 1 1 11 4664 1 1 21 GLY N N -3.874 -4.936 -0.844 1.00 . A A . 21 GLY N 1 1 11 4665 1 1 21 GLY O O -0.686 -4.161 0.472 1.00 . A A . 21 GLY O 1 1 11 4666 1 1 22 HIS C C 0.363 -3.770 -2.383 1.00 . A A . 22 HIS C 1 1 11 4667 1 1 22 HIS CA C 0.087 -5.211 -1.959 1.00 . A A . 22 HIS CA 1 1 11 4668 1 1 22 HIS CB C 0.233 -6.180 -3.137 1.00 . A A . 22 HIS CB 1 1 11 4669 1 1 22 HIS CD2 C 1.373 -8.504 -2.965 1.00 . A A . 22 HIS CD2 1 1 11 4670 1 1 22 HIS CE1 C -0.144 -9.516 -1.748 1.00 . A A . 22 HIS CE1 1 1 11 4671 1 1 22 HIS CG C 0.385 -7.610 -2.720 1.00 . A A . 22 HIS CG 1 1 11 4672 1 1 22 HIS H H -1.956 -5.744 -1.893 1.00 . A A . 22 HIS H 1 1 11 4673 1 1 22 HIS HA H 0.787 -5.484 -1.185 1.00 . A A . 22 HIS HA 1 1 11 4674 1 1 22 HIS HB2 H -0.644 -6.110 -3.763 1.00 . A A . 22 HIS HB2 1 1 11 4675 1 1 22 HIS HB3 H 1.104 -5.906 -3.713 1.00 . A A . 22 HIS HB3 1 1 11 4676 1 1 22 HIS HD1 H -1.386 -7.895 -1.615 1.00 . A A . 22 HIS HD1 1 1 11 4677 1 1 22 HIS HD2 H 2.272 -8.324 -3.539 1.00 . A A . 22 HIS HD2 1 1 11 4678 1 1 22 HIS HE1 H -0.675 -10.268 -1.183 1.00 . A A . 22 HIS HE1 1 1 11 4679 1 1 22 HIS HE2 H 1.582 -10.478 -2.283 1.00 . A A . 22 HIS HE2 1 1 11 4680 1 1 22 HIS N N -1.245 -5.296 -1.388 1.00 . A A . 22 HIS N 1 1 11 4681 1 1 22 HIS ND1 N -0.550 -8.275 -1.956 1.00 . A A . 22 HIS ND1 1 1 11 4682 1 1 22 HIS NE2 N 1.019 -9.679 -2.351 1.00 . A A . 22 HIS NE2 1 1 11 4683 1 1 22 HIS O O 0.511 -2.903 -1.532 1.00 . A A . 22 HIS O 1 1 11 4684 1 1 23 CYS C C 0.810 -2.115 -5.681 1.00 . A A . 23 CYS C 1 1 11 4685 1 1 23 CYS CA C 0.645 -2.148 -4.169 1.00 . A A . 23 CYS CA 1 1 11 4686 1 1 23 CYS CB C 1.875 -1.536 -3.507 1.00 . A A . 23 CYS CB 1 1 11 4687 1 1 23 CYS H H 0.281 -4.216 -4.330 1.00 . A A . 23 CYS H 1 1 11 4688 1 1 23 CYS HA H -0.218 -1.557 -3.906 1.00 . A A . 23 CYS HA 1 1 11 4689 1 1 23 CYS HB2 H 2.214 -2.179 -2.716 1.00 . A A . 23 CYS HB2 1 1 11 4690 1 1 23 CYS HB3 H 2.656 -1.444 -4.238 1.00 . A A . 23 CYS HB3 1 1 11 4691 1 1 23 CYS N N 0.412 -3.501 -3.686 1.00 . A A . 23 CYS N 1 1 11 4692 1 1 23 CYS O O 1.293 -3.070 -6.289 1.00 . A A . 23 CYS O 1 1 11 4693 1 1 23 CYS SG S 1.583 0.105 -2.807 1.00 . A A . 23 CYS SG 1 1 11 4694 1 1 24 GLU C C 1.709 0.121 -8.024 1.00 . A A . 24 GLU C 1 1 11 4695 1 1 24 GLU CA C 0.540 -0.808 -7.713 1.00 . A A . 24 GLU CA 1 1 11 4696 1 1 24 GLU CB C -0.759 -0.235 -8.286 1.00 . A A . 24 GLU CB 1 1 11 4697 1 1 24 GLU CD C -2.422 -0.574 -10.156 1.00 . A A . 24 GLU CD 1 1 11 4698 1 1 24 GLU CG C -1.557 -1.238 -9.103 1.00 . A A . 24 GLU CG 1 1 11 4699 1 1 24 GLU H H 0.060 -0.265 -5.730 1.00 . A A . 24 GLU H 1 1 11 4700 1 1 24 GLU HA H 0.729 -1.772 -8.159 1.00 . A A . 24 GLU HA 1 1 11 4701 1 1 24 GLU HB2 H -1.378 0.106 -7.470 1.00 . A A . 24 GLU HB2 1 1 11 4702 1 1 24 GLU HB3 H -0.521 0.606 -8.921 1.00 . A A . 24 GLU HB3 1 1 11 4703 1 1 24 GLU HG2 H -0.870 -1.910 -9.595 1.00 . A A . 24 GLU HG2 1 1 11 4704 1 1 24 GLU HG3 H -2.194 -1.800 -8.436 1.00 . A A . 24 GLU HG3 1 1 11 4705 1 1 24 GLU N N 0.422 -0.993 -6.276 1.00 . A A . 24 GLU N 1 1 11 4706 1 1 24 GLU O O 1.729 0.788 -9.059 1.00 . A A . 24 GLU O 1 1 11 4707 1 1 24 GLU OE1 O -1.897 -0.260 -11.245 1.00 . A A . 24 GLU OE1 1 1 11 4708 1 1 24 GLU OE2 O -3.625 -0.369 -9.893 1.00 . A A . 24 GLU OE2 1 1 11 4709 1 1 25 MET C C 5.115 0.194 -6.988 1.00 . A A . 25 MET C 1 1 11 4710 1 1 25 MET CA C 3.857 0.995 -7.286 1.00 . A A . 25 MET CA 1 1 11 4711 1 1 25 MET CB C 3.778 2.217 -6.369 1.00 . A A . 25 MET CB 1 1 11 4712 1 1 25 MET CE C 1.153 4.877 -8.229 1.00 . A A . 25 MET CE 1 1 11 4713 1 1 25 MET CG C 3.219 3.454 -7.052 1.00 . A A . 25 MET CG 1 1 11 4714 1 1 25 MET H H 2.615 -0.402 -6.312 1.00 . A A . 25 MET H 1 1 11 4715 1 1 25 MET HA H 3.887 1.324 -8.315 1.00 . A A . 25 MET HA 1 1 11 4716 1 1 25 MET HB2 H 3.146 1.980 -5.527 1.00 . A A . 25 MET HB2 1 1 11 4717 1 1 25 MET HB3 H 4.770 2.448 -6.010 1.00 . A A . 25 MET HB3 1 1 11 4718 1 1 25 MET HE1 H 0.092 4.980 -8.402 1.00 . A A . 25 MET HE1 1 1 11 4719 1 1 25 MET HE2 H 1.682 4.976 -9.166 1.00 . A A . 25 MET HE2 1 1 11 4720 1 1 25 MET HE3 H 1.483 5.646 -7.547 1.00 . A A . 25 MET HE3 1 1 11 4721 1 1 25 MET HG2 H 3.304 4.291 -6.375 1.00 . A A . 25 MET HG2 1 1 11 4722 1 1 25 MET HG3 H 3.800 3.652 -7.942 1.00 . A A . 25 MET HG3 1 1 11 4723 1 1 25 MET N N 2.683 0.156 -7.117 1.00 . A A . 25 MET N 1 1 11 4724 1 1 25 MET O O 5.972 0.024 -7.854 1.00 . A A . 25 MET O 1 1 11 4725 1 1 25 MET SD S 1.488 3.267 -7.521 1.00 . A A . 25 MET SD 1 1 11 4726 1 1 26 CYS C C 6.177 -2.562 -5.743 1.00 . A A . 26 CYS C 1 1 11 4727 1 1 26 CYS CA C 6.366 -1.095 -5.368 1.00 . A A . 26 CYS CA 1 1 11 4728 1 1 26 CYS CB C 6.603 -0.967 -3.868 1.00 . A A . 26 CYS CB 1 1 11 4729 1 1 26 CYS H H 4.505 -0.147 -5.102 1.00 . A A . 26 CYS H 1 1 11 4730 1 1 26 CYS HA H 7.226 -0.709 -5.893 1.00 . A A . 26 CYS HA 1 1 11 4731 1 1 26 CYS HB2 H 7.282 -1.732 -3.571 1.00 . A A . 26 CYS HB2 1 1 11 4732 1 1 26 CYS HB3 H 7.038 -0.001 -3.658 1.00 . A A . 26 CYS HB3 1 1 11 4733 1 1 26 CYS N N 5.217 -0.307 -5.760 1.00 . A A . 26 CYS N 1 1 11 4734 1 1 26 CYS O O 7.075 -3.182 -6.313 1.00 . A A . 26 CYS O 1 1 11 4735 1 1 26 CYS SG S 5.125 -1.142 -2.845 1.00 . A A . 26 CYS SG 1 1 11 4736 1 1 27 SER C C 5.007 -5.338 -4.423 1.00 . A A . 27 SER C 1 1 11 4737 1 1 27 SER CA C 4.684 -4.520 -5.658 1.00 . A A . 27 SER CA 1 1 11 4738 1 1 27 SER CB C 5.442 -5.065 -6.868 1.00 . A A . 27 SER CB 1 1 11 4739 1 1 27 SER H H 4.353 -2.568 -4.914 1.00 . A A . 27 SER H 1 1 11 4740 1 1 27 SER HA H 3.624 -4.583 -5.848 1.00 . A A . 27 SER HA 1 1 11 4741 1 1 27 SER HB2 H 5.455 -4.316 -7.644 1.00 . A A . 27 SER HB2 1 1 11 4742 1 1 27 SER HB3 H 6.451 -5.304 -6.576 1.00 . A A . 27 SER HB3 1 1 11 4743 1 1 27 SER HG H 3.996 -6.001 -7.803 1.00 . A A . 27 SER HG 1 1 11 4744 1 1 27 SER N N 5.010 -3.115 -5.392 1.00 . A A . 27 SER N 1 1 11 4745 1 1 27 SER O O 5.477 -6.473 -4.504 1.00 . A A . 27 SER O 1 1 11 4746 1 1 27 SER OG O 4.822 -6.236 -7.374 1.00 . A A . 27 SER OG 1 1 11 4747 1 1 28 LEU C C 3.740 -5.434 -1.192 1.00 . A A . 28 LEU C 1 1 11 4748 1 1 28 LEU CA C 5.030 -5.315 -1.994 1.00 . A A . 28 LEU CA 1 1 11 4749 1 1 28 LEU CB C 6.029 -4.436 -1.261 1.00 . A A . 28 LEU CB 1 1 11 4750 1 1 28 LEU CD1 C 8.396 -3.834 -0.720 1.00 . A A . 28 LEU CD1 1 1 11 4751 1 1 28 LEU CD2 C 7.710 -6.238 -0.758 1.00 . A A . 28 LEU CD2 1 1 11 4752 1 1 28 LEU CG C 7.490 -4.863 -1.374 1.00 . A A . 28 LEU CG 1 1 11 4753 1 1 28 LEU H H 4.407 -3.811 -3.302 1.00 . A A . 28 LEU H 1 1 11 4754 1 1 28 LEU HA H 5.453 -6.294 -2.144 1.00 . A A . 28 LEU HA 1 1 11 4755 1 1 28 LEU HB2 H 5.943 -3.441 -1.659 1.00 . A A . 28 LEU HB2 1 1 11 4756 1 1 28 LEU HB3 H 5.756 -4.403 -0.231 1.00 . A A . 28 LEU HB3 1 1 11 4757 1 1 28 LEU HD11 H 8.695 -3.099 -1.452 1.00 . A A . 28 LEU HD11 1 1 11 4758 1 1 28 LEU HD12 H 9.275 -4.326 -0.328 1.00 . A A . 28 LEU HD12 1 1 11 4759 1 1 28 LEU HD13 H 7.867 -3.347 0.085 1.00 . A A . 28 LEU HD13 1 1 11 4760 1 1 28 LEU HD21 H 8.661 -6.624 -1.077 1.00 . A A . 28 LEU HD21 1 1 11 4761 1 1 28 LEU HD22 H 6.922 -6.905 -1.078 1.00 . A A . 28 LEU HD22 1 1 11 4762 1 1 28 LEU HD23 H 7.694 -6.154 0.318 1.00 . A A . 28 LEU HD23 1 1 11 4763 1 1 28 LEU HG H 7.751 -4.919 -2.422 1.00 . A A . 28 LEU HG 1 1 11 4764 1 1 28 LEU N N 4.766 -4.718 -3.280 1.00 . A A . 28 LEU N 1 1 11 4765 1 1 28 LEU O O 2.705 -4.921 -1.603 1.00 . A A . 28 LEU O 1 1 11 4766 1 1 29 PRO C C 2.274 -5.029 1.615 1.00 . A A . 29 PRO C 1 1 11 4767 1 1 29 PRO CA C 2.619 -6.288 0.827 1.00 . A A . 29 PRO CA 1 1 11 4768 1 1 29 PRO CB C 3.054 -7.411 1.769 1.00 . A A . 29 PRO CB 1 1 11 4769 1 1 29 PRO CD C 4.995 -6.737 0.525 1.00 . A A . 29 PRO CD 1 1 11 4770 1 1 29 PRO CG C 4.536 -7.282 1.852 1.00 . A A . 29 PRO CG 1 1 11 4771 1 1 29 PRO HA H 1.756 -6.605 0.259 1.00 . A A . 29 PRO HA 1 1 11 4772 1 1 29 PRO HB2 H 2.589 -7.274 2.734 1.00 . A A . 29 PRO HB2 1 1 11 4773 1 1 29 PRO HB3 H 2.763 -8.364 1.354 1.00 . A A . 29 PRO HB3 1 1 11 4774 1 1 29 PRO HD2 H 5.774 -6.006 0.666 1.00 . A A . 29 PRO HD2 1 1 11 4775 1 1 29 PRO HD3 H 5.341 -7.534 -0.115 1.00 . A A . 29 PRO HD3 1 1 11 4776 1 1 29 PRO HG2 H 4.801 -6.600 2.648 1.00 . A A . 29 PRO HG2 1 1 11 4777 1 1 29 PRO HG3 H 4.977 -8.252 2.030 1.00 . A A . 29 PRO HG3 1 1 11 4778 1 1 29 PRO N N 3.789 -6.107 -0.034 1.00 . A A . 29 PRO N 1 1 11 4779 1 1 29 PRO O O 3.085 -4.108 1.720 1.00 . A A . 29 PRO O 1 1 11 4780 1 1 30 ARG C C 1.330 -3.778 4.293 1.00 . A A . 30 ARG C 1 1 11 4781 1 1 30 ARG CA C 0.610 -3.854 2.955 1.00 . A A . 30 ARG CA 1 1 11 4782 1 1 30 ARG CB C -0.899 -3.941 3.171 1.00 . A A . 30 ARG CB 1 1 11 4783 1 1 30 ARG CD C -2.665 -2.336 3.965 1.00 . A A . 30 ARG CD 1 1 11 4784 1 1 30 ARG CG C -1.633 -2.640 2.890 1.00 . A A . 30 ARG CG 1 1 11 4785 1 1 30 ARG CZ C -2.697 -1.808 6.372 1.00 . A A . 30 ARG CZ 1 1 11 4786 1 1 30 ARG H H 0.465 -5.762 2.061 1.00 . A A . 30 ARG H 1 1 11 4787 1 1 30 ARG HA H 0.837 -2.967 2.400 1.00 . A A . 30 ARG HA 1 1 11 4788 1 1 30 ARG HB2 H -1.297 -4.703 2.519 1.00 . A A . 30 ARG HB2 1 1 11 4789 1 1 30 ARG HB3 H -1.089 -4.226 4.192 1.00 . A A . 30 ARG HB3 1 1 11 4790 1 1 30 ARG HD2 H -3.312 -1.548 3.612 1.00 . A A . 30 ARG HD2 1 1 11 4791 1 1 30 ARG HD3 H -3.249 -3.227 4.147 1.00 . A A . 30 ARG HD3 1 1 11 4792 1 1 30 ARG HE H -1.088 -1.694 5.197 1.00 . A A . 30 ARG HE 1 1 11 4793 1 1 30 ARG HG2 H -0.916 -1.834 2.856 1.00 . A A . 30 ARG HG2 1 1 11 4794 1 1 30 ARG HG3 H -2.134 -2.720 1.936 1.00 . A A . 30 ARG HG3 1 1 11 4795 1 1 30 ARG HH11 H -4.481 -2.392 5.618 1.00 . A A . 30 ARG HH11 1 1 11 4796 1 1 30 ARG HH12 H -4.477 -2.015 7.308 1.00 . A A . 30 ARG HH12 1 1 11 4797 1 1 30 ARG HH21 H -1.080 -1.199 7.420 1.00 . A A . 30 ARG HH21 1 1 11 4798 1 1 30 ARG HH22 H -2.547 -1.337 8.331 1.00 . A A . 30 ARG HH22 1 1 11 4799 1 1 30 ARG N N 1.065 -4.996 2.171 1.00 . A A . 30 ARG N 1 1 11 4800 1 1 30 ARG NE N -2.043 -1.913 5.217 1.00 . A A . 30 ARG NE 1 1 11 4801 1 1 30 ARG NH1 N -3.991 -2.096 6.437 1.00 . A A . 30 ARG NH1 1 1 11 4802 1 1 30 ARG NH2 N -2.055 -1.416 7.464 1.00 . A A . 30 ARG NH2 1 1 11 4803 1 1 30 ARG O O 1.189 -2.805 5.032 1.00 . A A . 30 ARG O 1 1 11 4804 1 1 31 THR C C 4.154 -5.616 5.654 1.00 . A A . 31 THR C 1 1 11 4805 1 1 31 THR CA C 2.832 -4.874 5.844 1.00 . A A . 31 THR CA 1 1 11 4806 1 1 31 THR CB C 1.983 -5.563 6.914 1.00 . A A . 31 THR CB 1 1 11 4807 1 1 31 THR CG2 C 2.750 -5.907 8.174 1.00 . A A . 31 THR CG2 1 1 11 4808 1 1 31 THR H H 2.154 -5.554 3.965 1.00 . A A . 31 THR H 1 1 11 4809 1 1 31 THR HA H 3.039 -3.862 6.153 1.00 . A A . 31 THR HA 1 1 11 4810 1 1 31 THR HB H 1.587 -6.481 6.504 1.00 . A A . 31 THR HB 1 1 11 4811 1 1 31 THR HG1 H 1.218 -3.970 7.761 1.00 . A A . 31 THR HG1 1 1 11 4812 1 1 31 THR HG21 H 3.548 -6.595 7.934 1.00 . A A . 31 THR HG21 1 1 11 4813 1 1 31 THR HG22 H 2.082 -6.366 8.889 1.00 . A A . 31 THR HG22 1 1 11 4814 1 1 31 THR HG23 H 3.167 -5.005 8.599 1.00 . A A . 31 THR HG23 1 1 11 4815 1 1 31 THR N N 2.092 -4.812 4.595 1.00 . A A . 31 THR N 1 1 11 4816 1 1 31 THR O O 4.198 -6.845 5.693 1.00 . A A . 31 THR O 1 1 11 4817 1 1 31 THR OG1 O 0.891 -4.741 7.290 1.00 . A A . 31 THR OG1 1 1 11 4818 2 2 1 ZN ZN ZN 3.866 0.731 -2.399 1.00 . B A . 32 ZN ZN 1 1 12 4819 1 1 1 GLY C C -19.873 1.117 -1.123 1.00 . A A . 1 GLY C 1 1 12 4820 1 1 1 GLY CA C -20.433 2.522 -1.213 1.00 . A A . 1 GLY CA 1 1 12 4821 1 1 1 GLY H1 H -18.641 3.367 -0.552 1.00 . A A . 1 GLY H1 1 1 12 4822 1 1 1 GLY H2 H -19.771 4.500 -1.099 1.00 . A A . 1 GLY H2 1 1 12 4823 1 1 1 GLY H3 H -18.916 3.555 -2.210 1.00 . A A . 1 GLY H3 1 1 12 4824 1 1 1 GLY HA2 H -21.051 2.708 -0.348 1.00 . A A . 1 GLY HA2 1 1 12 4825 1 1 1 GLY HA3 H -21.044 2.598 -2.101 1.00 . A A . 1 GLY HA3 1 1 12 4826 1 1 1 GLY N N -19.366 3.559 -1.273 1.00 . A A . 1 GLY N 1 1 12 4827 1 1 1 GLY O O -20.252 0.346 -0.241 1.00 . A A . 1 GLY O 1 1 12 4828 1 1 2 SER C C -16.963 -0.504 -1.434 1.00 . A A . 2 SER C 1 1 12 4829 1 1 2 SER CA C -18.355 -0.541 -2.058 1.00 . A A . 2 SER CA 1 1 12 4830 1 1 2 SER CB C -18.270 -1.064 -3.492 1.00 . A A . 2 SER CB 1 1 12 4831 1 1 2 SER H H -18.707 1.441 -2.714 1.00 . A A . 2 SER H 1 1 12 4832 1 1 2 SER HA H -18.978 -1.204 -1.478 1.00 . A A . 2 SER HA 1 1 12 4833 1 1 2 SER HB2 H -18.016 -0.251 -4.156 1.00 . A A . 2 SER HB2 1 1 12 4834 1 1 2 SER HB3 H -17.508 -1.827 -3.549 1.00 . A A . 2 SER HB3 1 1 12 4835 1 1 2 SER HG H -19.630 -1.463 -4.844 1.00 . A A . 2 SER HG 1 1 12 4836 1 1 2 SER N N -18.968 0.782 -2.037 1.00 . A A . 2 SER N 1 1 12 4837 1 1 2 SER O O -16.525 -1.473 -0.812 1.00 . A A . 2 SER O 1 1 12 4838 1 1 2 SER OG O -19.506 -1.621 -3.906 1.00 . A A . 2 SER OG 1 1 12 4839 1 1 3 THR C C -14.987 1.224 0.400 1.00 . A A . 3 THR C 1 1 12 4840 1 1 3 THR CA C -14.931 0.782 -1.057 1.00 . A A . 3 THR CA 1 1 12 4841 1 1 3 THR CB C -14.142 1.800 -1.882 1.00 . A A . 3 THR CB 1 1 12 4842 1 1 3 THR CG2 C -12.722 1.993 -1.398 1.00 . A A . 3 THR CG2 1 1 12 4843 1 1 3 THR H H -16.677 1.356 -2.108 1.00 . A A . 3 THR H 1 1 12 4844 1 1 3 THR HA H -14.433 -0.175 -1.113 1.00 . A A . 3 THR HA 1 1 12 4845 1 1 3 THR HB H -14.643 2.757 -1.827 1.00 . A A . 3 THR HB 1 1 12 4846 1 1 3 THR HG1 H -14.349 2.143 -3.800 1.00 . A A . 3 THR HG1 1 1 12 4847 1 1 3 THR HG21 H -12.059 1.353 -1.962 1.00 . A A . 3 THR HG21 1 1 12 4848 1 1 3 THR HG22 H -12.661 1.738 -0.350 1.00 . A A . 3 THR HG22 1 1 12 4849 1 1 3 THR HG23 H -12.431 3.023 -1.535 1.00 . A A . 3 THR HG23 1 1 12 4850 1 1 3 THR N N -16.273 0.619 -1.604 1.00 . A A . 3 THR N 1 1 12 4851 1 1 3 THR O O -15.839 2.026 0.785 1.00 . A A . 3 THR O 1 1 12 4852 1 1 3 THR OG1 O -14.084 1.407 -3.242 1.00 . A A . 3 THR OG1 1 1 12 4853 1 1 4 SER C C -13.079 2.217 2.864 1.00 . A A . 4 SER C 1 1 12 4854 1 1 4 SER CA C -14.019 1.039 2.625 1.00 . A A . 4 SER CA 1 1 12 4855 1 1 4 SER CB C -13.561 -0.170 3.445 1.00 . A A . 4 SER CB 1 1 12 4856 1 1 4 SER H H -13.420 0.063 0.844 1.00 . A A . 4 SER H 1 1 12 4857 1 1 4 SER HA H -15.013 1.318 2.938 1.00 . A A . 4 SER HA 1 1 12 4858 1 1 4 SER HB2 H -12.847 -0.742 2.873 1.00 . A A . 4 SER HB2 1 1 12 4859 1 1 4 SER HB3 H -13.097 0.173 4.359 1.00 . A A . 4 SER HB3 1 1 12 4860 1 1 4 SER HG H -15.188 -0.586 4.455 1.00 . A A . 4 SER HG 1 1 12 4861 1 1 4 SER N N -14.074 0.697 1.209 1.00 . A A . 4 SER N 1 1 12 4862 1 1 4 SER O O -13.525 3.345 3.071 1.00 . A A . 4 SER O 1 1 12 4863 1 1 4 SER OG O -14.656 -1.007 3.775 1.00 . A A . 4 SER OG 1 1 12 4864 1 1 5 ALA C C -9.427 2.576 2.469 1.00 . A A . 5 ALA C 1 1 12 4865 1 1 5 ALA CA C -10.777 2.986 3.046 1.00 . A A . 5 ALA CA 1 1 12 4866 1 1 5 ALA CB C -10.646 3.295 4.531 1.00 . A A . 5 ALA CB 1 1 12 4867 1 1 5 ALA H H -11.483 1.027 2.664 1.00 . A A . 5 ALA H 1 1 12 4868 1 1 5 ALA HA H -11.115 3.881 2.545 1.00 . A A . 5 ALA HA 1 1 12 4869 1 1 5 ALA HB1 H -11.618 3.535 4.935 1.00 . A A . 5 ALA HB1 1 1 12 4870 1 1 5 ALA HB2 H -9.983 4.136 4.665 1.00 . A A . 5 ALA HB2 1 1 12 4871 1 1 5 ALA HB3 H -10.245 2.433 5.043 1.00 . A A . 5 ALA HB3 1 1 12 4872 1 1 5 ALA N N -11.778 1.947 2.834 1.00 . A A . 5 ALA N 1 1 12 4873 1 1 5 ALA O O -8.929 1.484 2.742 1.00 . A A . 5 ALA O 1 1 12 4874 1 1 6 MET C C -6.431 3.269 2.092 1.00 . A A . 6 MET C 1 1 12 4875 1 1 6 MET CA C -7.545 3.193 1.056 1.00 . A A . 6 MET CA 1 1 12 4876 1 1 6 MET CB C -7.282 4.203 -0.058 1.00 . A A . 6 MET CB 1 1 12 4877 1 1 6 MET CE C -10.367 5.515 -1.013 1.00 . A A . 6 MET CE 1 1 12 4878 1 1 6 MET CG C -8.098 3.953 -1.317 1.00 . A A . 6 MET CG 1 1 12 4879 1 1 6 MET H H -9.280 4.314 1.491 1.00 . A A . 6 MET H 1 1 12 4880 1 1 6 MET HA H -7.571 2.200 0.636 1.00 . A A . 6 MET HA 1 1 12 4881 1 1 6 MET HB2 H -7.515 5.189 0.309 1.00 . A A . 6 MET HB2 1 1 12 4882 1 1 6 MET HB3 H -6.238 4.170 -0.319 1.00 . A A . 6 MET HB3 1 1 12 4883 1 1 6 MET HE1 H -11.169 5.888 -1.632 1.00 . A A . 6 MET HE1 1 1 12 4884 1 1 6 MET HE2 H -10.232 6.171 -0.165 1.00 . A A . 6 MET HE2 1 1 12 4885 1 1 6 MET HE3 H -10.612 4.523 -0.664 1.00 . A A . 6 MET HE3 1 1 12 4886 1 1 6 MET HG2 H -7.449 3.537 -2.073 1.00 . A A . 6 MET HG2 1 1 12 4887 1 1 6 MET HG3 H -8.879 3.243 -1.086 1.00 . A A . 6 MET HG3 1 1 12 4888 1 1 6 MET N N -8.837 3.460 1.671 1.00 . A A . 6 MET N 1 1 12 4889 1 1 6 MET O O -6.678 3.568 3.261 1.00 . A A . 6 MET O 1 1 12 4890 1 1 6 MET SD S -8.853 5.455 -1.968 1.00 . A A . 6 MET SD 1 1 12 4891 1 1 7 TRP C C -2.868 3.758 1.908 1.00 . A A . 7 TRP C 1 1 12 4892 1 1 7 TRP CA C -4.058 3.071 2.558 1.00 . A A . 7 TRP CA 1 1 12 4893 1 1 7 TRP CB C -3.656 1.678 3.057 1.00 . A A . 7 TRP CB 1 1 12 4894 1 1 7 TRP CD1 C -4.283 -0.062 1.263 1.00 . A A . 7 TRP CD1 1 1 12 4895 1 1 7 TRP CD2 C -2.078 0.258 1.510 1.00 . A A . 7 TRP CD2 1 1 12 4896 1 1 7 TRP CE2 C -2.281 -0.719 0.515 1.00 . A A . 7 TRP CE2 1 1 12 4897 1 1 7 TRP CE3 C -0.768 0.624 1.834 1.00 . A A . 7 TRP CE3 1 1 12 4898 1 1 7 TRP CG C -3.371 0.668 1.977 1.00 . A A . 7 TRP CG 1 1 12 4899 1 1 7 TRP CH2 C 0.046 -0.955 0.185 1.00 . A A . 7 TRP CH2 1 1 12 4900 1 1 7 TRP CZ2 C -1.226 -1.334 -0.152 1.00 . A A . 7 TRP CZ2 1 1 12 4901 1 1 7 TRP CZ3 C 0.280 0.016 1.166 1.00 . A A . 7 TRP CZ3 1 1 12 4902 1 1 7 TRP H H -5.064 2.794 0.712 1.00 . A A . 7 TRP H 1 1 12 4903 1 1 7 TRP HA H -4.358 3.662 3.412 1.00 . A A . 7 TRP HA 1 1 12 4904 1 1 7 TRP HB2 H -2.763 1.771 3.655 1.00 . A A . 7 TRP HB2 1 1 12 4905 1 1 7 TRP HB3 H -4.448 1.292 3.675 1.00 . A A . 7 TRP HB3 1 1 12 4906 1 1 7 TRP HD1 H -5.354 0.016 1.384 1.00 . A A . 7 TRP HD1 1 1 12 4907 1 1 7 TRP HE1 H -4.066 -1.522 -0.247 1.00 . A A . 7 TRP HE1 1 1 12 4908 1 1 7 TRP HE3 H -0.567 1.371 2.588 1.00 . A A . 7 TRP HE3 1 1 12 4909 1 1 7 TRP HH2 H 0.898 -1.402 -0.316 1.00 . A A . 7 TRP HH2 1 1 12 4910 1 1 7 TRP HZ2 H -1.392 -2.090 -0.905 1.00 . A A . 7 TRP HZ2 1 1 12 4911 1 1 7 TRP HZ3 H 1.297 0.286 1.404 1.00 . A A . 7 TRP HZ3 1 1 12 4912 1 1 7 TRP N N -5.202 3.013 1.656 1.00 . A A . 7 TRP N 1 1 12 4913 1 1 7 TRP NE1 N -3.632 -0.899 0.381 1.00 . A A . 7 TRP NE1 1 1 12 4914 1 1 7 TRP O O -2.772 3.848 0.685 1.00 . A A . 7 TRP O 1 1 12 4915 1 1 8 ALA C C 0.467 4.049 2.493 1.00 . A A . 8 ALA C 1 1 12 4916 1 1 8 ALA CA C -0.763 4.922 2.285 1.00 . A A . 8 ALA CA 1 1 12 4917 1 1 8 ALA CB C -0.600 6.253 3.006 1.00 . A A . 8 ALA CB 1 1 12 4918 1 1 8 ALA H H -2.107 4.124 3.714 1.00 . A A . 8 ALA H 1 1 12 4919 1 1 8 ALA HA H -0.880 5.122 1.228 1.00 . A A . 8 ALA HA 1 1 12 4920 1 1 8 ALA HB1 H 0.182 6.826 2.529 1.00 . A A . 8 ALA HB1 1 1 12 4921 1 1 8 ALA HB2 H -0.337 6.073 4.038 1.00 . A A . 8 ALA HB2 1 1 12 4922 1 1 8 ALA HB3 H -1.527 6.803 2.961 1.00 . A A . 8 ALA HB3 1 1 12 4923 1 1 8 ALA N N -1.963 4.238 2.750 1.00 . A A . 8 ALA N 1 1 12 4924 1 1 8 ALA O O 0.827 3.726 3.625 1.00 . A A . 8 ALA O 1 1 12 4925 1 1 9 CYS C C 3.453 3.546 2.102 1.00 . A A . 9 CYS C 1 1 12 4926 1 1 9 CYS CA C 2.284 2.819 1.454 1.00 . A A . 9 CYS CA 1 1 12 4927 1 1 9 CYS CB C 2.671 2.359 0.052 1.00 . A A . 9 CYS CB 1 1 12 4928 1 1 9 CYS H H 0.767 3.952 0.522 1.00 . A A . 9 CYS H 1 1 12 4929 1 1 9 CYS HA H 2.040 1.955 2.050 1.00 . A A . 9 CYS HA 1 1 12 4930 1 1 9 CYS HB2 H 1.783 2.033 -0.472 1.00 . A A . 9 CYS HB2 1 1 12 4931 1 1 9 CYS HB3 H 3.114 3.188 -0.480 1.00 . A A . 9 CYS HB3 1 1 12 4932 1 1 9 CYS N N 1.102 3.663 1.395 1.00 . A A . 9 CYS N 1 1 12 4933 1 1 9 CYS O O 3.465 4.773 2.188 1.00 . A A . 9 CYS O 1 1 12 4934 1 1 9 CYS SG S 3.858 0.991 0.026 1.00 . A A . 9 CYS SG 1 1 12 4935 1 1 10 GLN C C 6.876 2.996 2.384 1.00 . A A . 10 GLN C 1 1 12 4936 1 1 10 GLN CA C 5.620 3.345 3.178 1.00 . A A . 10 GLN CA 1 1 12 4937 1 1 10 GLN CB C 5.755 2.843 4.618 1.00 . A A . 10 GLN CB 1 1 12 4938 1 1 10 GLN CD C 3.925 1.332 5.486 1.00 . A A . 10 GLN CD 1 1 12 4939 1 1 10 GLN CG C 4.432 2.757 5.362 1.00 . A A . 10 GLN CG 1 1 12 4940 1 1 10 GLN H H 4.375 1.805 2.446 1.00 . A A . 10 GLN H 1 1 12 4941 1 1 10 GLN HA H 5.500 4.418 3.188 1.00 . A A . 10 GLN HA 1 1 12 4942 1 1 10 GLN HB2 H 6.200 1.859 4.603 1.00 . A A . 10 GLN HB2 1 1 12 4943 1 1 10 GLN HB3 H 6.404 3.514 5.161 1.00 . A A . 10 GLN HB3 1 1 12 4944 1 1 10 GLN HE21 H 2.917 1.516 3.782 1.00 . A A . 10 GLN HE21 1 1 12 4945 1 1 10 GLN HE22 H 2.789 -0.017 4.568 1.00 . A A . 10 GLN HE22 1 1 12 4946 1 1 10 GLN HG2 H 4.562 3.163 6.354 1.00 . A A . 10 GLN HG2 1 1 12 4947 1 1 10 GLN HG3 H 3.695 3.340 4.829 1.00 . A A . 10 GLN HG3 1 1 12 4948 1 1 10 GLN N N 4.440 2.777 2.548 1.00 . A A . 10 GLN N 1 1 12 4949 1 1 10 GLN NE2 N 3.130 0.901 4.514 1.00 . A A . 10 GLN NE2 1 1 12 4950 1 1 10 GLN O O 7.950 2.803 2.955 1.00 . A A . 10 GLN O 1 1 12 4951 1 1 10 GLN OE1 O 4.245 0.629 6.444 1.00 . A A . 10 GLN OE1 1 1 12 4952 1 1 11 HIS C C 7.809 3.504 -1.039 1.00 . A A . 11 HIS C 1 1 12 4953 1 1 11 HIS CA C 7.856 2.607 0.186 1.00 . A A . 11 HIS CA 1 1 12 4954 1 1 11 HIS CB C 7.811 1.137 -0.233 1.00 . A A . 11 HIS CB 1 1 12 4955 1 1 11 HIS CD2 C 9.973 -0.039 0.571 1.00 . A A . 11 HIS CD2 1 1 12 4956 1 1 11 HIS CE1 C 10.997 -0.193 -1.364 1.00 . A A . 11 HIS CE1 1 1 12 4957 1 1 11 HIS CG C 9.165 0.510 -0.361 1.00 . A A . 11 HIS CG 1 1 12 4958 1 1 11 HIS H H 5.854 3.095 0.661 1.00 . A A . 11 HIS H 1 1 12 4959 1 1 11 HIS HA H 8.771 2.798 0.728 1.00 . A A . 11 HIS HA 1 1 12 4960 1 1 11 HIS HB2 H 7.255 0.576 0.503 1.00 . A A . 11 HIS HB2 1 1 12 4961 1 1 11 HIS HB3 H 7.316 1.057 -1.189 1.00 . A A . 11 HIS HB3 1 1 12 4962 1 1 11 HIS HD1 H 9.498 0.709 -2.432 1.00 . A A . 11 HIS HD1 1 1 12 4963 1 1 11 HIS HD2 H 9.772 -0.125 1.629 1.00 . A A . 11 HIS HD2 1 1 12 4964 1 1 11 HIS HE1 H 11.730 -0.413 -2.125 1.00 . A A . 11 HIS HE1 1 1 12 4965 1 1 11 HIS HE2 H 11.829 -0.985 0.325 1.00 . A A . 11 HIS HE2 1 1 12 4966 1 1 11 HIS N N 6.736 2.923 1.062 1.00 . A A . 11 HIS N 1 1 12 4967 1 1 11 HIS ND1 N 9.827 0.401 -1.564 1.00 . A A . 11 HIS ND1 1 1 12 4968 1 1 11 HIS NE2 N 11.106 -0.469 -0.079 1.00 . A A . 11 HIS NE2 1 1 12 4969 1 1 11 HIS O O 8.735 4.272 -1.300 1.00 . A A . 11 HIS O 1 1 12 4970 1 1 12 CYS C C 5.924 5.583 -2.534 1.00 . A A . 12 CYS C 1 1 12 4971 1 1 12 CYS CA C 6.506 4.238 -2.945 1.00 . A A . 12 CYS CA 1 1 12 4972 1 1 12 CYS CB C 5.569 3.533 -3.916 1.00 . A A . 12 CYS CB 1 1 12 4973 1 1 12 CYS H H 5.995 2.808 -1.501 1.00 . A A . 12 CYS H 1 1 12 4974 1 1 12 CYS HA H 7.464 4.393 -3.418 1.00 . A A . 12 CYS HA 1 1 12 4975 1 1 12 CYS HB2 H 5.290 4.227 -4.674 1.00 . A A . 12 CYS HB2 1 1 12 4976 1 1 12 CYS HB3 H 6.085 2.699 -4.367 1.00 . A A . 12 CYS HB3 1 1 12 4977 1 1 12 CYS N N 6.706 3.421 -1.770 1.00 . A A . 12 CYS N 1 1 12 4978 1 1 12 CYS O O 6.226 6.612 -3.132 1.00 . A A . 12 CYS O 1 1 12 4979 1 1 12 CYS SG S 4.045 2.908 -3.176 1.00 . A A . 12 CYS SG 1 1 12 4980 1 1 13 THR C C 3.208 7.131 -1.741 1.00 . A A . 13 THR C 1 1 12 4981 1 1 13 THR CA C 4.445 6.738 -0.938 1.00 . A A . 13 THR CA 1 1 12 4982 1 1 13 THR CB C 5.440 7.908 -0.828 1.00 . A A . 13 THR CB 1 1 12 4983 1 1 13 THR CG2 C 5.477 8.833 -2.032 1.00 . A A . 13 THR CG2 1 1 12 4984 1 1 13 THR H H 4.914 4.674 -1.072 1.00 . A A . 13 THR H 1 1 12 4985 1 1 13 THR HA H 4.121 6.478 0.059 1.00 . A A . 13 THR HA 1 1 12 4986 1 1 13 THR HB H 6.431 7.501 -0.694 1.00 . A A . 13 THR HB 1 1 12 4987 1 1 13 THR HG1 H 4.217 8.966 0.276 1.00 . A A . 13 THR HG1 1 1 12 4988 1 1 13 THR HG21 H 4.962 8.372 -2.862 1.00 . A A . 13 THR HG21 1 1 12 4989 1 1 13 THR HG22 H 6.504 9.021 -2.309 1.00 . A A . 13 THR HG22 1 1 12 4990 1 1 13 THR HG23 H 4.996 9.767 -1.784 1.00 . A A . 13 THR HG23 1 1 12 4991 1 1 13 THR N N 5.094 5.544 -1.491 1.00 . A A . 13 THR N 1 1 12 4992 1 1 13 THR O O 2.922 8.313 -1.932 1.00 . A A . 13 THR O 1 1 12 4993 1 1 13 THR OG1 O 5.141 8.706 0.303 1.00 . A A . 13 THR OG1 1 1 12 4994 1 1 14 PHE C C 0.048 5.787 -2.226 1.00 . A A . 14 PHE C 1 1 12 4995 1 1 14 PHE CA C 1.251 6.364 -2.954 1.00 . A A . 14 PHE CA 1 1 12 4996 1 1 14 PHE CB C 1.369 5.737 -4.342 1.00 . A A . 14 PHE CB 1 1 12 4997 1 1 14 PHE CD1 C -0.134 7.294 -5.613 1.00 . A A . 14 PHE CD1 1 1 12 4998 1 1 14 PHE CD2 C -0.602 4.958 -5.686 1.00 . A A . 14 PHE CD2 1 1 12 4999 1 1 14 PHE CE1 C -1.220 7.540 -6.432 1.00 . A A . 14 PHE CE1 1 1 12 5000 1 1 14 PHE CE2 C -1.688 5.197 -6.505 1.00 . A A . 14 PHE CE2 1 1 12 5001 1 1 14 PHE CG C 0.187 6.001 -5.231 1.00 . A A . 14 PHE CG 1 1 12 5002 1 1 14 PHE CZ C -1.998 6.490 -6.878 1.00 . A A . 14 PHE CZ 1 1 12 5003 1 1 14 PHE H H 2.729 5.210 -1.997 1.00 . A A . 14 PHE H 1 1 12 5004 1 1 14 PHE HA H 1.121 7.429 -3.058 1.00 . A A . 14 PHE HA 1 1 12 5005 1 1 14 PHE HB2 H 2.240 6.133 -4.829 1.00 . A A . 14 PHE HB2 1 1 12 5006 1 1 14 PHE HB3 H 1.475 4.669 -4.238 1.00 . A A . 14 PHE HB3 1 1 12 5007 1 1 14 PHE HD1 H 0.474 8.117 -5.265 1.00 . A A . 14 PHE HD1 1 1 12 5008 1 1 14 PHE HD2 H -0.361 3.946 -5.395 1.00 . A A . 14 PHE HD2 1 1 12 5009 1 1 14 PHE HE1 H -1.460 8.553 -6.723 1.00 . A A . 14 PHE HE1 1 1 12 5010 1 1 14 PHE HE2 H -2.295 4.374 -6.853 1.00 . A A . 14 PHE HE2 1 1 12 5011 1 1 14 PHE HZ H -2.848 6.680 -7.518 1.00 . A A . 14 PHE HZ 1 1 12 5012 1 1 14 PHE N N 2.463 6.130 -2.192 1.00 . A A . 14 PHE N 1 1 12 5013 1 1 14 PHE O O 0.190 4.985 -1.303 1.00 . A A . 14 PHE O 1 1 12 5014 1 1 15 MET C C -2.780 4.404 -2.703 1.00 . A A . 15 MET C 1 1 12 5015 1 1 15 MET CA C -2.369 5.712 -2.056 1.00 . A A . 15 MET CA 1 1 12 5016 1 1 15 MET CB C -3.482 6.752 -2.201 1.00 . A A . 15 MET CB 1 1 12 5017 1 1 15 MET CE C -5.903 8.202 0.868 1.00 . A A . 15 MET CE 1 1 12 5018 1 1 15 MET CG C -4.427 6.799 -1.012 1.00 . A A . 15 MET CG 1 1 12 5019 1 1 15 MET H H -1.170 6.825 -3.398 1.00 . A A . 15 MET H 1 1 12 5020 1 1 15 MET HA H -2.183 5.527 -1.007 1.00 . A A . 15 MET HA 1 1 12 5021 1 1 15 MET HB2 H -3.034 7.728 -2.317 1.00 . A A . 15 MET HB2 1 1 12 5022 1 1 15 MET HB3 H -4.059 6.524 -3.084 1.00 . A A . 15 MET HB3 1 1 12 5023 1 1 15 MET HE1 H -6.127 7.152 0.985 1.00 . A A . 15 MET HE1 1 1 12 5024 1 1 15 MET HE2 H -6.822 8.769 0.870 1.00 . A A . 15 MET HE2 1 1 12 5025 1 1 15 MET HE3 H -5.275 8.529 1.684 1.00 . A A . 15 MET HE3 1 1 12 5026 1 1 15 MET HG2 H -5.267 6.150 -1.211 1.00 . A A . 15 MET HG2 1 1 12 5027 1 1 15 MET HG3 H -3.901 6.446 -0.137 1.00 . A A . 15 MET HG3 1 1 12 5028 1 1 15 MET N N -1.132 6.193 -2.655 1.00 . A A . 15 MET N 1 1 12 5029 1 1 15 MET O O -2.490 4.157 -3.873 1.00 . A A . 15 MET O 1 1 12 5030 1 1 15 MET SD S -5.047 8.461 -0.683 1.00 . A A . 15 MET SD 1 1 12 5031 1 1 16 ASN C C -5.221 1.868 -1.907 1.00 . A A . 16 ASN C 1 1 12 5032 1 1 16 ASN CA C -3.831 2.252 -2.409 1.00 . A A . 16 ASN CA 1 1 12 5033 1 1 16 ASN CB C -2.803 1.232 -1.948 1.00 . A A . 16 ASN CB 1 1 12 5034 1 1 16 ASN CG C -2.602 0.113 -2.942 1.00 . A A . 16 ASN CG 1 1 12 5035 1 1 16 ASN H H -3.599 3.794 -0.990 1.00 . A A . 16 ASN H 1 1 12 5036 1 1 16 ASN HA H -3.838 2.281 -3.487 1.00 . A A . 16 ASN HA 1 1 12 5037 1 1 16 ASN HB2 H -1.857 1.728 -1.801 1.00 . A A . 16 ASN HB2 1 1 12 5038 1 1 16 ASN HB3 H -3.129 0.817 -1.014 1.00 . A A . 16 ASN HB3 1 1 12 5039 1 1 16 ASN HD21 H -1.285 1.216 -3.942 1.00 . A A . 16 ASN HD21 1 1 12 5040 1 1 16 ASN HD22 H -1.589 -0.358 -4.584 1.00 . A A . 16 ASN HD22 1 1 12 5041 1 1 16 ASN N N -3.423 3.553 -1.923 1.00 . A A . 16 ASN N 1 1 12 5042 1 1 16 ASN ND2 N -1.737 0.346 -3.922 1.00 . A A . 16 ASN ND2 1 1 12 5043 1 1 16 ASN O O -5.602 2.206 -0.788 1.00 . A A . 16 ASN O 1 1 12 5044 1 1 16 ASN OD1 O -3.210 -0.946 -2.830 1.00 . A A . 16 ASN OD1 1 1 12 5045 1 1 17 GLN C C -7.296 -0.260 -1.213 1.00 . A A . 17 GLN C 1 1 12 5046 1 1 17 GLN CA C -7.319 0.721 -2.387 1.00 . A A . 17 GLN CA 1 1 12 5047 1 1 17 GLN CB C -7.995 0.083 -3.594 1.00 . A A . 17 GLN CB 1 1 12 5048 1 1 17 GLN CD C -10.101 1.459 -3.856 1.00 . A A . 17 GLN CD 1 1 12 5049 1 1 17 GLN CG C -8.765 1.069 -4.457 1.00 . A A . 17 GLN CG 1 1 12 5050 1 1 17 GLN H H -5.608 0.912 -3.620 1.00 . A A . 17 GLN H 1 1 12 5051 1 1 17 GLN HA H -7.878 1.591 -2.104 1.00 . A A . 17 GLN HA 1 1 12 5052 1 1 17 GLN HB2 H -7.237 -0.369 -4.200 1.00 . A A . 17 GLN HB2 1 1 12 5053 1 1 17 GLN HB3 H -8.679 -0.680 -3.253 1.00 . A A . 17 GLN HB3 1 1 12 5054 1 1 17 GLN HE21 H -9.404 3.270 -3.420 1.00 . A A . 17 GLN HE21 1 1 12 5055 1 1 17 GLN HE22 H -11.045 2.969 -2.971 1.00 . A A . 17 GLN HE22 1 1 12 5056 1 1 17 GLN HG2 H -8.171 1.962 -4.579 1.00 . A A . 17 GLN HG2 1 1 12 5057 1 1 17 GLN HG3 H -8.940 0.621 -5.425 1.00 . A A . 17 GLN HG3 1 1 12 5058 1 1 17 GLN N N -5.971 1.155 -2.742 1.00 . A A . 17 GLN N 1 1 12 5059 1 1 17 GLN NE2 N -10.192 2.690 -3.366 1.00 . A A . 17 GLN NE2 1 1 12 5060 1 1 17 GLN O O -6.245 -0.797 -0.865 1.00 . A A . 17 GLN O 1 1 12 5061 1 1 17 GLN OE1 O -11.040 0.664 -3.832 1.00 . A A . 17 GLN OE1 1 1 12 5062 1 1 18 PRO C C -8.505 -2.887 0.165 1.00 . A A . 18 PRO C 1 1 12 5063 1 1 18 PRO CA C -8.568 -1.414 0.564 1.00 . A A . 18 PRO CA 1 1 12 5064 1 1 18 PRO CB C -9.941 -1.083 1.148 1.00 . A A . 18 PRO CB 1 1 12 5065 1 1 18 PRO CD C -9.762 0.106 -0.925 1.00 . A A . 18 PRO CD 1 1 12 5066 1 1 18 PRO CG C -10.735 -0.593 -0.013 1.00 . A A . 18 PRO CG 1 1 12 5067 1 1 18 PRO HA H -7.806 -1.212 1.302 1.00 . A A . 18 PRO HA 1 1 12 5068 1 1 18 PRO HB2 H -10.376 -1.974 1.577 1.00 . A A . 18 PRO HB2 1 1 12 5069 1 1 18 PRO HB3 H -9.840 -0.322 1.906 1.00 . A A . 18 PRO HB3 1 1 12 5070 1 1 18 PRO HD2 H -10.014 -0.085 -1.957 1.00 . A A . 18 PRO HD2 1 1 12 5071 1 1 18 PRO HD3 H -9.756 1.167 -0.728 1.00 . A A . 18 PRO HD3 1 1 12 5072 1 1 18 PRO HG2 H -11.193 -1.427 -0.522 1.00 . A A . 18 PRO HG2 1 1 12 5073 1 1 18 PRO HG3 H -11.491 0.099 0.327 1.00 . A A . 18 PRO HG3 1 1 12 5074 1 1 18 PRO N N -8.461 -0.500 -0.581 1.00 . A A . 18 PRO N 1 1 12 5075 1 1 18 PRO O O -8.517 -3.769 1.024 1.00 . A A . 18 PRO O 1 1 12 5076 1 1 19 GLY C C -6.994 -4.892 -2.117 1.00 . A A . 19 GLY C 1 1 12 5077 1 1 19 GLY CA C -8.372 -4.524 -1.607 1.00 . A A . 19 GLY CA 1 1 12 5078 1 1 19 GLY H H -8.427 -2.414 -1.780 1.00 . A A . 19 GLY H 1 1 12 5079 1 1 19 GLY HA2 H -8.634 -5.186 -0.794 1.00 . A A . 19 GLY HA2 1 1 12 5080 1 1 19 GLY HA3 H -9.087 -4.653 -2.407 1.00 . A A . 19 GLY HA3 1 1 12 5081 1 1 19 GLY N N -8.437 -3.153 -1.136 1.00 . A A . 19 GLY N 1 1 12 5082 1 1 19 GLY O O -6.657 -6.072 -2.227 1.00 . A A . 19 GLY O 1 1 12 5083 1 1 20 THR C C -3.827 -4.021 -1.805 1.00 . A A . 20 THR C 1 1 12 5084 1 1 20 THR CA C -4.846 -4.086 -2.932 1.00 . A A . 20 THR CA 1 1 12 5085 1 1 20 THR CB C -4.514 -3.033 -3.984 1.00 . A A . 20 THR CB 1 1 12 5086 1 1 20 THR CG2 C -4.807 -3.485 -5.390 1.00 . A A . 20 THR CG2 1 1 12 5087 1 1 20 THR H H -6.526 -2.961 -2.319 1.00 . A A . 20 THR H 1 1 12 5088 1 1 20 THR HA H -4.800 -5.063 -3.387 1.00 . A A . 20 THR HA 1 1 12 5089 1 1 20 THR HB H -3.460 -2.802 -3.925 1.00 . A A . 20 THR HB 1 1 12 5090 1 1 20 THR HG1 H -6.170 -1.987 -3.984 1.00 . A A . 20 THR HG1 1 1 12 5091 1 1 20 THR HG21 H -4.453 -2.740 -6.085 1.00 . A A . 20 THR HG21 1 1 12 5092 1 1 20 THR HG22 H -5.872 -3.614 -5.509 1.00 . A A . 20 THR HG22 1 1 12 5093 1 1 20 THR HG23 H -4.305 -4.422 -5.576 1.00 . A A . 20 THR HG23 1 1 12 5094 1 1 20 THR N N -6.197 -3.877 -2.428 1.00 . A A . 20 THR N 1 1 12 5095 1 1 20 THR O O -2.983 -3.128 -1.776 1.00 . A A . 20 THR O 1 1 12 5096 1 1 20 THR OG1 O -5.249 -1.844 -3.755 1.00 . A A . 20 THR OG1 1 1 12 5097 1 1 21 GLY C C -1.527 -4.844 -0.259 1.00 . A A . 21 GLY C 1 1 12 5098 1 1 21 GLY CA C -2.954 -4.987 0.221 1.00 . A A . 21 GLY CA 1 1 12 5099 1 1 21 GLY H H -4.585 -5.667 -0.951 1.00 . A A . 21 GLY H 1 1 12 5100 1 1 21 GLY HA2 H -3.183 -4.172 0.891 1.00 . A A . 21 GLY HA2 1 1 12 5101 1 1 21 GLY HA3 H -3.050 -5.915 0.753 1.00 . A A . 21 GLY HA3 1 1 12 5102 1 1 21 GLY N N -3.897 -4.972 -0.881 1.00 . A A . 21 GLY N 1 1 12 5103 1 1 21 GLY O O -0.680 -4.287 0.438 1.00 . A A . 21 GLY O 1 1 12 5104 1 1 22 HIS C C 0.336 -3.780 -2.438 1.00 . A A . 22 HIS C 1 1 12 5105 1 1 22 HIS CA C 0.064 -5.231 -2.044 1.00 . A A . 22 HIS CA 1 1 12 5106 1 1 22 HIS CB C 0.203 -6.174 -3.243 1.00 . A A . 22 HIS CB 1 1 12 5107 1 1 22 HIS CD2 C 1.345 -8.494 -3.040 1.00 . A A . 22 HIS CD2 1 1 12 5108 1 1 22 HIS CE1 C -0.266 -9.555 -2.001 1.00 . A A . 22 HIS CE1 1 1 12 5109 1 1 22 HIS CG C 0.331 -7.616 -2.859 1.00 . A A . 22 HIS CG 1 1 12 5110 1 1 22 HIS H H -1.985 -5.747 -1.986 1.00 . A A . 22 HIS H 1 1 12 5111 1 1 22 HIS HA H 0.769 -5.520 -1.281 1.00 . A A . 22 HIS HA 1 1 12 5112 1 1 22 HIS HB2 H -0.668 -6.075 -3.872 1.00 . A A . 22 HIS HB2 1 1 12 5113 1 1 22 HIS HB3 H 1.082 -5.900 -3.808 1.00 . A A . 22 HIS HB3 1 1 12 5114 1 1 22 HIS HD1 H -1.532 -7.949 -1.932 1.00 . A A . 22 HIS HD1 1 1 12 5115 1 1 22 HIS HD2 H 2.292 -8.290 -3.521 1.00 . A A . 22 HIS HD2 1 1 12 5116 1 1 22 HIS HE1 H -0.838 -10.329 -1.511 1.00 . A A . 22 HIS HE1 1 1 12 5117 1 1 22 HIS HE2 H 1.443 -10.535 -2.559 1.00 . A A . 22 HIS HE2 1 1 12 5118 1 1 22 HIS N N -1.265 -5.330 -1.468 1.00 . A A . 22 HIS N 1 1 12 5119 1 1 22 HIS ND1 N -0.664 -8.312 -2.206 1.00 . A A . 22 HIS ND1 1 1 12 5120 1 1 22 HIS NE2 N 0.949 -9.691 -2.498 1.00 . A A . 22 HIS NE2 1 1 12 5121 1 1 22 HIS O O 0.474 -2.927 -1.571 1.00 . A A . 22 HIS O 1 1 12 5122 1 1 23 CYS C C 0.814 -2.067 -5.701 1.00 . A A . 23 CYS C 1 1 12 5123 1 1 23 CYS CA C 0.634 -2.126 -4.192 1.00 . A A . 23 CYS CA 1 1 12 5124 1 1 23 CYS CB C 1.857 -1.523 -3.507 1.00 . A A . 23 CYS CB 1 1 12 5125 1 1 23 CYS H H 0.279 -4.191 -4.393 1.00 . A A . 23 CYS H 1 1 12 5126 1 1 23 CYS HA H -0.233 -1.541 -3.926 1.00 . A A . 23 CYS HA 1 1 12 5127 1 1 23 CYS HB2 H 2.192 -2.183 -2.727 1.00 . A A . 23 CYS HB2 1 1 12 5128 1 1 23 CYS HB3 H 2.643 -1.415 -4.229 1.00 . A A . 23 CYS HB3 1 1 12 5129 1 1 23 CYS N N 0.400 -3.488 -3.735 1.00 . A A . 23 CYS N 1 1 12 5130 1 1 23 CYS O O 1.343 -2.994 -6.314 1.00 . A A . 23 CYS O 1 1 12 5131 1 1 23 CYS SG S 1.556 0.101 -2.773 1.00 . A A . 23 CYS SG 1 1 12 5132 1 1 24 GLU C C 1.688 0.170 -8.019 1.00 . A A . 24 GLU C 1 1 12 5133 1 1 24 GLU CA C 0.512 -0.753 -7.724 1.00 . A A . 24 GLU CA 1 1 12 5134 1 1 24 GLU CB C -0.781 -0.165 -8.295 1.00 . A A . 24 GLU CB 1 1 12 5135 1 1 24 GLU CD C -2.426 -0.471 -10.187 1.00 . A A . 24 GLU CD 1 1 12 5136 1 1 24 GLU CG C -1.582 -1.152 -9.127 1.00 . A A . 24 GLU CG 1 1 12 5137 1 1 24 GLU H H -0.013 -0.250 -5.741 1.00 . A A . 24 GLU H 1 1 12 5138 1 1 24 GLU HA H 0.697 -1.713 -8.182 1.00 . A A . 24 GLU HA 1 1 12 5139 1 1 24 GLU HB2 H -1.401 0.170 -7.477 1.00 . A A . 24 GLU HB2 1 1 12 5140 1 1 24 GLU HB3 H -0.534 0.683 -8.918 1.00 . A A . 24 GLU HB3 1 1 12 5141 1 1 24 GLU HG2 H -0.897 -1.830 -9.616 1.00 . A A . 24 GLU HG2 1 1 12 5142 1 1 24 GLU HG3 H -2.234 -1.710 -8.471 1.00 . A A . 24 GLU HG3 1 1 12 5143 1 1 24 GLU N N 0.386 -0.956 -6.289 1.00 . A A . 24 GLU N 1 1 12 5144 1 1 24 GLU O O 1.711 0.858 -9.039 1.00 . A A . 24 GLU O 1 1 12 5145 1 1 24 GLU OE1 O -1.913 -0.253 -11.305 1.00 . A A . 24 GLU OE1 1 1 12 5146 1 1 24 GLU OE2 O -3.599 -0.155 -9.898 1.00 . A A . 24 GLU OE2 1 1 12 5147 1 1 25 MET C C 5.099 0.200 -6.980 1.00 . A A . 25 MET C 1 1 12 5148 1 1 25 MET CA C 3.846 1.011 -7.272 1.00 . A A . 25 MET CA 1 1 12 5149 1 1 25 MET CB C 3.772 2.224 -6.342 1.00 . A A . 25 MET CB 1 1 12 5150 1 1 25 MET CE C 5.217 3.620 -8.919 1.00 . A A . 25 MET CE 1 1 12 5151 1 1 25 MET CG C 3.214 3.469 -7.010 1.00 . A A . 25 MET CG 1 1 12 5152 1 1 25 MET H H 2.594 -0.395 -6.321 1.00 . A A . 25 MET H 1 1 12 5153 1 1 25 MET HA H 3.880 1.352 -8.296 1.00 . A A . 25 MET HA 1 1 12 5154 1 1 25 MET HB2 H 3.141 1.979 -5.500 1.00 . A A . 25 MET HB2 1 1 12 5155 1 1 25 MET HB3 H 4.766 2.449 -5.984 1.00 . A A . 25 MET HB3 1 1 12 5156 1 1 25 MET HE1 H 5.407 2.615 -8.573 1.00 . A A . 25 MET HE1 1 1 12 5157 1 1 25 MET HE2 H 6.144 4.071 -9.231 1.00 . A A . 25 MET HE2 1 1 12 5158 1 1 25 MET HE3 H 4.527 3.588 -9.746 1.00 . A A . 25 MET HE3 1 1 12 5159 1 1 25 MET HG2 H 2.612 3.169 -7.856 1.00 . A A . 25 MET HG2 1 1 12 5160 1 1 25 MET HG3 H 2.594 3.996 -6.299 1.00 . A A . 25 MET HG3 1 1 12 5161 1 1 25 MET N N 2.666 0.178 -7.114 1.00 . A A . 25 MET N 1 1 12 5162 1 1 25 MET O O 5.948 0.021 -7.852 1.00 . A A . 25 MET O 1 1 12 5163 1 1 25 MET SD S 4.505 4.586 -7.589 1.00 . A A . 25 MET SD 1 1 12 5164 1 1 26 CYS C C 6.159 -2.557 -5.767 1.00 . A A . 26 CYS C 1 1 12 5165 1 1 26 CYS CA C 6.354 -1.096 -5.369 1.00 . A A . 26 CYS CA 1 1 12 5166 1 1 26 CYS CB C 6.595 -0.993 -3.866 1.00 . A A . 26 CYS CB 1 1 12 5167 1 1 26 CYS H H 4.501 -0.133 -5.089 1.00 . A A . 26 CYS H 1 1 12 5168 1 1 26 CYS HA H 7.216 -0.706 -5.889 1.00 . A A . 26 CYS HA 1 1 12 5169 1 1 26 CYS HB2 H 7.241 -1.789 -3.577 1.00 . A A . 26 CYS HB2 1 1 12 5170 1 1 26 CYS HB3 H 7.070 -0.049 -3.646 1.00 . A A . 26 CYS HB3 1 1 12 5171 1 1 26 CYS N N 5.208 -0.300 -5.751 1.00 . A A . 26 CYS N 1 1 12 5172 1 1 26 CYS O O 7.040 -3.161 -6.378 1.00 . A A . 26 CYS O 1 1 12 5173 1 1 26 CYS SG S 5.111 -1.116 -2.843 1.00 . A A . 26 CYS SG 1 1 12 5174 1 1 27 SER C C 4.960 -5.355 -4.444 1.00 . A A . 27 SER C 1 1 12 5175 1 1 27 SER CA C 4.667 -4.518 -5.674 1.00 . A A . 27 SER CA 1 1 12 5176 1 1 27 SER CB C 5.435 -5.063 -6.877 1.00 . A A . 27 SER CB 1 1 12 5177 1 1 27 SER H H 4.362 -2.581 -4.883 1.00 . A A . 27 SER H 1 1 12 5178 1 1 27 SER HA H 3.610 -4.566 -5.881 1.00 . A A . 27 SER HA 1 1 12 5179 1 1 27 SER HB2 H 5.457 -4.312 -7.653 1.00 . A A . 27 SER HB2 1 1 12 5180 1 1 27 SER HB3 H 6.444 -5.300 -6.576 1.00 . A A . 27 SER HB3 1 1 12 5181 1 1 27 SER HG H 4.603 -6.822 -6.665 1.00 . A A . 27 SER HG 1 1 12 5182 1 1 27 SER N N 5.004 -3.119 -5.391 1.00 . A A . 27 SER N 1 1 12 5183 1 1 27 SER O O 5.400 -6.500 -4.532 1.00 . A A . 27 SER O 1 1 12 5184 1 1 27 SER OG O 4.822 -6.233 -7.389 1.00 . A A . 27 SER OG 1 1 12 5185 1 1 28 LEU C C 3.675 -5.430 -1.208 1.00 . A A . 28 LEU C 1 1 12 5186 1 1 28 LEU CA C 4.966 -5.363 -2.016 1.00 . A A . 28 LEU CA 1 1 12 5187 1 1 28 LEU CB C 6.008 -4.542 -1.274 1.00 . A A . 28 LEU CB 1 1 12 5188 1 1 28 LEU CD1 C 8.401 -4.042 -0.765 1.00 . A A . 28 LEU CD1 1 1 12 5189 1 1 28 LEU CD2 C 7.616 -6.414 -0.805 1.00 . A A . 28 LEU CD2 1 1 12 5190 1 1 28 LEU CG C 7.448 -5.029 -1.412 1.00 . A A . 28 LEU CG 1 1 12 5191 1 1 28 LEU H H 4.391 -3.826 -3.305 1.00 . A A . 28 LEU H 1 1 12 5192 1 1 28 LEU HA H 5.342 -6.360 -2.177 1.00 . A A . 28 LEU HA 1 1 12 5193 1 1 28 LEU HB2 H 5.959 -3.537 -1.650 1.00 . A A . 28 LEU HB2 1 1 12 5194 1 1 28 LEU HB3 H 5.745 -4.521 -0.243 1.00 . A A . 28 LEU HB3 1 1 12 5195 1 1 28 LEU HD11 H 8.499 -3.167 -1.390 1.00 . A A . 28 LEU HD11 1 1 12 5196 1 1 28 LEU HD12 H 9.375 -4.506 -0.648 1.00 . A A . 28 LEU HD12 1 1 12 5197 1 1 28 LEU HD13 H 8.021 -3.753 0.204 1.00 . A A . 28 LEU HD13 1 1 12 5198 1 1 28 LEU HD21 H 8.563 -6.828 -1.114 1.00 . A A . 28 LEU HD21 1 1 12 5199 1 1 28 LEU HD22 H 6.813 -7.055 -1.142 1.00 . A A . 28 LEU HD22 1 1 12 5200 1 1 28 LEU HD23 H 7.593 -6.342 0.272 1.00 . A A . 28 LEU HD23 1 1 12 5201 1 1 28 LEU HG H 7.691 -5.091 -2.463 1.00 . A A . 28 LEU HG 1 1 12 5202 1 1 28 LEU N N 4.726 -4.743 -3.293 1.00 . A A . 28 LEU N 1 1 12 5203 1 1 28 LEU O O 2.672 -4.835 -1.587 1.00 . A A . 28 LEU O 1 1 12 5204 1 1 29 PRO C C 2.298 -5.077 1.678 1.00 . A A . 29 PRO C 1 1 12 5205 1 1 29 PRO CA C 2.524 -6.297 0.789 1.00 . A A . 29 PRO CA 1 1 12 5206 1 1 29 PRO CB C 2.878 -7.518 1.634 1.00 . A A . 29 PRO CB 1 1 12 5207 1 1 29 PRO CD C 4.863 -6.877 0.439 1.00 . A A . 29 PRO CD 1 1 12 5208 1 1 29 PRO CG C 4.366 -7.497 1.722 1.00 . A A . 29 PRO CG 1 1 12 5209 1 1 29 PRO HA H 1.628 -6.497 0.219 1.00 . A A . 29 PRO HA 1 1 12 5210 1 1 29 PRO HB2 H 2.423 -7.428 2.611 1.00 . A A . 29 PRO HB2 1 1 12 5211 1 1 29 PRO HB3 H 2.525 -8.414 1.146 1.00 . A A . 29 PRO HB3 1 1 12 5212 1 1 29 PRO HD2 H 5.673 -6.193 0.637 1.00 . A A . 29 PRO HD2 1 1 12 5213 1 1 29 PRO HD3 H 5.177 -7.640 -0.256 1.00 . A A . 29 PRO HD3 1 1 12 5214 1 1 29 PRO HG2 H 4.675 -6.900 2.568 1.00 . A A . 29 PRO HG2 1 1 12 5215 1 1 29 PRO HG3 H 4.742 -8.504 1.819 1.00 . A A . 29 PRO HG3 1 1 12 5216 1 1 29 PRO N N 3.693 -6.151 -0.079 1.00 . A A . 29 PRO N 1 1 12 5217 1 1 29 PRO O O 3.205 -4.270 1.884 1.00 . A A . 29 PRO O 1 1 12 5218 1 1 30 ARG C C 1.428 -3.961 4.433 1.00 . A A . 30 ARG C 1 1 12 5219 1 1 30 ARG CA C 0.738 -3.838 3.085 1.00 . A A . 30 ARG CA 1 1 12 5220 1 1 30 ARG CB C -0.776 -3.766 3.274 1.00 . A A . 30 ARG CB 1 1 12 5221 1 1 30 ARG CD C -2.859 -2.363 3.173 1.00 . A A . 30 ARG CD 1 1 12 5222 1 1 30 ARG CG C -1.338 -2.359 3.177 1.00 . A A . 30 ARG CG 1 1 12 5223 1 1 30 ARG CZ C -4.658 -3.738 4.147 1.00 . A A . 30 ARG CZ 1 1 12 5224 1 1 30 ARG H H 0.406 -5.633 2.018 1.00 . A A . 30 ARG H 1 1 12 5225 1 1 30 ARG HA H 1.079 -2.938 2.615 1.00 . A A . 30 ARG HA 1 1 12 5226 1 1 30 ARG HB2 H -1.247 -4.374 2.519 1.00 . A A . 30 ARG HB2 1 1 12 5227 1 1 30 ARG HB3 H -1.026 -4.164 4.244 1.00 . A A . 30 ARG HB3 1 1 12 5228 1 1 30 ARG HD2 H -3.210 -1.365 3.386 1.00 . A A . 30 ARG HD2 1 1 12 5229 1 1 30 ARG HD3 H -3.202 -2.664 2.195 1.00 . A A . 30 ARG HD3 1 1 12 5230 1 1 30 ARG HE H -2.816 -3.567 4.896 1.00 . A A . 30 ARG HE 1 1 12 5231 1 1 30 ARG HG2 H -0.993 -1.785 4.025 1.00 . A A . 30 ARG HG2 1 1 12 5232 1 1 30 ARG HG3 H -0.985 -1.903 2.264 1.00 . A A . 30 ARG HG3 1 1 12 5233 1 1 30 ARG HH11 H -5.180 -2.745 2.465 1.00 . A A . 30 ARG HH11 1 1 12 5234 1 1 30 ARG HH12 H -6.427 -3.718 3.169 1.00 . A A . 30 ARG HH12 1 1 12 5235 1 1 30 ARG HH21 H -4.455 -4.849 5.824 1.00 . A A . 30 ARG HH21 1 1 12 5236 1 1 30 ARG HH22 H -6.016 -4.912 5.077 1.00 . A A . 30 ARG HH22 1 1 12 5237 1 1 30 ARG N N 1.084 -4.953 2.210 1.00 . A A . 30 ARG N 1 1 12 5238 1 1 30 ARG NE N -3.409 -3.279 4.171 1.00 . A A . 30 ARG NE 1 1 12 5239 1 1 30 ARG NH1 N -5.490 -3.369 3.181 1.00 . A A . 30 ARG NH1 1 1 12 5240 1 1 30 ARG NH2 N -5.077 -4.567 5.093 1.00 . A A . 30 ARG NH2 1 1 12 5241 1 1 30 ARG O O 1.403 -3.039 5.247 1.00 . A A . 30 ARG O 1 1 12 5242 1 1 31 THR C C 3.948 -6.265 5.676 1.00 . A A . 31 THR C 1 1 12 5243 1 1 31 THR CA C 2.733 -5.369 5.909 1.00 . A A . 31 THR CA 1 1 12 5244 1 1 31 THR CB C 1.774 -6.022 6.908 1.00 . A A . 31 THR CB 1 1 12 5245 1 1 31 THR CG2 C 2.459 -6.574 8.142 1.00 . A A . 31 THR CG2 1 1 12 5246 1 1 31 THR H H 2.013 -5.800 3.973 1.00 . A A . 31 THR H 1 1 12 5247 1 1 31 THR HA H 3.065 -4.422 6.304 1.00 . A A . 31 THR HA 1 1 12 5248 1 1 31 THR HB H 1.264 -6.838 6.416 1.00 . A A . 31 THR HB 1 1 12 5249 1 1 31 THR HG1 H 1.217 -4.414 7.881 1.00 . A A . 31 THR HG1 1 1 12 5250 1 1 31 THR HG21 H 3.208 -7.293 7.846 1.00 . A A . 31 THR HG21 1 1 12 5251 1 1 31 THR HG22 H 1.728 -7.055 8.774 1.00 . A A . 31 THR HG22 1 1 12 5252 1 1 31 THR HG23 H 2.928 -5.767 8.685 1.00 . A A . 31 THR HG23 1 1 12 5253 1 1 31 THR N N 2.038 -5.110 4.661 1.00 . A A . 31 THR N 1 1 12 5254 1 1 31 THR O O 5.089 -5.838 5.853 1.00 . A A . 31 THR O 1 1 12 5255 1 1 31 THR OG1 O 0.799 -5.091 7.342 1.00 . A A . 31 THR OG1 1 1 12 5256 2 2 1 ZN ZN ZN 3.840 0.740 -2.383 1.00 . B A . 32 ZN ZN 1 1 13 5257 1 1 1 GLY C C -11.805 5.790 -5.493 1.00 . A A . 1 GLY C 1 1 13 5258 1 1 1 GLY CA C -11.903 6.662 -6.728 1.00 . A A . 1 GLY CA 1 1 13 5259 1 1 1 GLY H1 H -10.736 7.965 -7.871 1.00 . A A . 1 GLY H1 1 1 13 5260 1 1 1 GLY H2 H -9.837 6.839 -6.984 1.00 . A A . 1 GLY H2 1 1 13 5261 1 1 1 GLY H3 H -10.547 8.159 -6.200 1.00 . A A . 1 GLY H3 1 1 13 5262 1 1 1 GLY HA2 H -12.740 7.335 -6.615 1.00 . A A . 1 GLY HA2 1 1 13 5263 1 1 1 GLY HA3 H -12.078 6.031 -7.588 1.00 . A A . 1 GLY HA3 1 1 13 5264 1 1 1 GLY N N -10.670 7.463 -6.962 1.00 . A A . 1 GLY N 1 1 13 5265 1 1 1 GLY O O -11.094 4.785 -5.489 1.00 . A A . 1 GLY O 1 1 13 5266 1 1 2 SER C C -13.633 4.392 -3.168 1.00 . A A . 2 SER C 1 1 13 5267 1 1 2 SER CA C -12.508 5.422 -3.192 1.00 . A A . 2 SER CA 1 1 13 5268 1 1 2 SER CB C -12.642 6.370 -1.998 1.00 . A A . 2 SER CB 1 1 13 5269 1 1 2 SER H H -13.066 6.986 -4.504 1.00 . A A . 2 SER H 1 1 13 5270 1 1 2 SER HA H -11.563 4.905 -3.125 1.00 . A A . 2 SER HA 1 1 13 5271 1 1 2 SER HB2 H -12.656 5.795 -1.085 1.00 . A A . 2 SER HB2 1 1 13 5272 1 1 2 SER HB3 H -11.803 7.048 -1.984 1.00 . A A . 2 SER HB3 1 1 13 5273 1 1 2 SER HG H -13.767 7.763 -2.792 1.00 . A A . 2 SER HG 1 1 13 5274 1 1 2 SER N N -12.518 6.176 -4.440 1.00 . A A . 2 SER N 1 1 13 5275 1 1 2 SER O O -14.723 4.638 -3.685 1.00 . A A . 2 SER O 1 1 13 5276 1 1 2 SER OG O -13.839 7.125 -2.079 1.00 . A A . 2 SER OG 1 1 13 5277 1 1 3 THR C C -14.733 1.908 -1.021 1.00 . A A . 3 THR C 1 1 13 5278 1 1 3 THR CA C -14.351 2.172 -2.475 1.00 . A A . 3 THR CA 1 1 13 5279 1 1 3 THR CB C -13.812 0.892 -3.114 1.00 . A A . 3 THR CB 1 1 13 5280 1 1 3 THR CG2 C -12.591 0.339 -2.411 1.00 . A A . 3 THR CG2 1 1 13 5281 1 1 3 THR H H -12.475 3.104 -2.172 1.00 . A A . 3 THR H 1 1 13 5282 1 1 3 THR HA H -15.231 2.489 -3.013 1.00 . A A . 3 THR HA 1 1 13 5283 1 1 3 THR HB H -13.537 1.102 -4.138 1.00 . A A . 3 THR HB 1 1 13 5284 1 1 3 THR HG1 H -15.282 -0.097 -3.949 1.00 . A A . 3 THR HG1 1 1 13 5285 1 1 3 THR HG21 H -11.869 1.130 -2.267 1.00 . A A . 3 THR HG21 1 1 13 5286 1 1 3 THR HG22 H -12.153 -0.444 -3.011 1.00 . A A . 3 THR HG22 1 1 13 5287 1 1 3 THR HG23 H -12.881 -0.062 -1.451 1.00 . A A . 3 THR HG23 1 1 13 5288 1 1 3 THR N N -13.361 3.240 -2.565 1.00 . A A . 3 THR N 1 1 13 5289 1 1 3 THR O O -15.904 1.697 -0.705 1.00 . A A . 3 THR O 1 1 13 5290 1 1 3 THR OG1 O -14.801 -0.122 -3.118 1.00 . A A . 3 THR OG1 1 1 13 5291 1 1 4 SER C C -12.988 2.483 2.131 1.00 . A A . 4 SER C 1 1 13 5292 1 1 4 SER CA C -13.969 1.684 1.279 1.00 . A A . 4 SER CA 1 1 13 5293 1 1 4 SER CB C -13.845 0.192 1.596 1.00 . A A . 4 SER CB 1 1 13 5294 1 1 4 SER H H -12.825 2.096 -0.453 1.00 . A A . 4 SER H 1 1 13 5295 1 1 4 SER HA H -14.973 2.008 1.509 1.00 . A A . 4 SER HA 1 1 13 5296 1 1 4 SER HB2 H -13.874 -0.373 0.676 1.00 . A A . 4 SER HB2 1 1 13 5297 1 1 4 SER HB3 H -12.907 0.009 2.100 1.00 . A A . 4 SER HB3 1 1 13 5298 1 1 4 SER HG H -14.650 -1.055 2.874 1.00 . A A . 4 SER HG 1 1 13 5299 1 1 4 SER N N -13.738 1.922 -0.141 1.00 . A A . 4 SER N 1 1 13 5300 1 1 4 SER O O -13.367 3.454 2.786 1.00 . A A . 4 SER O 1 1 13 5301 1 1 4 SER OG O -14.904 -0.243 2.430 1.00 . A A . 4 SER OG 1 1 13 5302 1 1 5 ALA C C -9.306 2.452 2.324 1.00 . A A . 5 ALA C 1 1 13 5303 1 1 5 ALA CA C -10.689 2.748 2.885 1.00 . A A . 5 ALA CA 1 1 13 5304 1 1 5 ALA CB C -10.757 2.335 4.346 1.00 . A A . 5 ALA CB 1 1 13 5305 1 1 5 ALA H H -11.484 1.289 1.574 1.00 . A A . 5 ALA H 1 1 13 5306 1 1 5 ALA HA H -10.872 3.810 2.826 1.00 . A A . 5 ALA HA 1 1 13 5307 1 1 5 ALA HB1 H -9.942 2.794 4.886 1.00 . A A . 5 ALA HB1 1 1 13 5308 1 1 5 ALA HB2 H -10.678 1.261 4.420 1.00 . A A . 5 ALA HB2 1 1 13 5309 1 1 5 ALA HB3 H -11.696 2.657 4.768 1.00 . A A . 5 ALA HB3 1 1 13 5310 1 1 5 ALA N N -11.725 2.069 2.116 1.00 . A A . 5 ALA N 1 1 13 5311 1 1 5 ALA O O -8.740 1.386 2.568 1.00 . A A . 5 ALA O 1 1 13 5312 1 1 6 MET C C -6.364 3.352 2.057 1.00 . A A . 6 MET C 1 1 13 5313 1 1 6 MET CA C -7.443 3.242 0.990 1.00 . A A . 6 MET CA 1 1 13 5314 1 1 6 MET CB C -7.218 4.305 -0.080 1.00 . A A . 6 MET CB 1 1 13 5315 1 1 6 MET CE C -9.193 6.287 -2.753 1.00 . A A . 6 MET CE 1 1 13 5316 1 1 6 MET CG C -8.162 4.187 -1.266 1.00 . A A . 6 MET CG 1 1 13 5317 1 1 6 MET H H -9.252 4.232 1.418 1.00 . A A . 6 MET H 1 1 13 5318 1 1 6 MET HA H -7.393 2.266 0.535 1.00 . A A . 6 MET HA 1 1 13 5319 1 1 6 MET HB2 H -7.350 5.276 0.366 1.00 . A A . 6 MET HB2 1 1 13 5320 1 1 6 MET HB3 H -6.210 4.226 -0.442 1.00 . A A . 6 MET HB3 1 1 13 5321 1 1 6 MET HE1 H -9.645 7.266 -2.700 1.00 . A A . 6 MET HE1 1 1 13 5322 1 1 6 MET HE2 H -9.625 5.735 -3.576 1.00 . A A . 6 MET HE2 1 1 13 5323 1 1 6 MET HE3 H -8.129 6.390 -2.908 1.00 . A A . 6 MET HE3 1 1 13 5324 1 1 6 MET HG2 H -7.596 4.327 -2.174 1.00 . A A . 6 MET HG2 1 1 13 5325 1 1 6 MET HG3 H -8.599 3.199 -1.264 1.00 . A A . 6 MET HG3 1 1 13 5326 1 1 6 MET N N -8.760 3.402 1.577 1.00 . A A . 6 MET N 1 1 13 5327 1 1 6 MET O O -6.644 3.705 3.203 1.00 . A A . 6 MET O 1 1 13 5328 1 1 6 MET SD S -9.491 5.406 -1.222 1.00 . A A . 6 MET SD 1 1 13 5329 1 1 7 TRP C C -2.808 3.817 1.963 1.00 . A A . 7 TRP C 1 1 13 5330 1 1 7 TRP CA C -4.010 3.138 2.602 1.00 . A A . 7 TRP CA 1 1 13 5331 1 1 7 TRP CB C -3.613 1.752 3.123 1.00 . A A . 7 TRP CB 1 1 13 5332 1 1 7 TRP CD1 C -4.275 -0.023 1.381 1.00 . A A . 7 TRP CD1 1 1 13 5333 1 1 7 TRP CD2 C -2.069 0.326 1.549 1.00 . A A . 7 TRP CD2 1 1 13 5334 1 1 7 TRP CE2 C -2.292 -0.666 0.576 1.00 . A A . 7 TRP CE2 1 1 13 5335 1 1 7 TRP CE3 C -0.752 0.714 1.823 1.00 . A A . 7 TRP CE3 1 1 13 5336 1 1 7 TRP CG C -3.350 0.728 2.054 1.00 . A A . 7 TRP CG 1 1 13 5337 1 1 7 TRP CH2 C 0.026 -0.879 0.169 1.00 . A A . 7 TRP CH2 1 1 13 5338 1 1 7 TRP CZ2 C -1.253 -1.278 -0.118 1.00 . A A . 7 TRP CZ2 1 1 13 5339 1 1 7 TRP CZ3 C 0.280 0.108 1.130 1.00 . A A . 7 TRP CZ3 1 1 13 5340 1 1 7 TRP H H -4.972 2.795 0.747 1.00 . A A . 7 TRP H 1 1 13 5341 1 1 7 TRP HA H -4.330 3.739 3.441 1.00 . A A . 7 TRP HA 1 1 13 5342 1 1 7 TRP HB2 H -2.712 1.848 3.709 1.00 . A A . 7 TRP HB2 1 1 13 5343 1 1 7 TRP HB3 H -4.401 1.381 3.755 1.00 . A A . 7 TRP HB3 1 1 13 5344 1 1 7 TRP HD1 H -5.342 0.043 1.538 1.00 . A A . 7 TRP HD1 1 1 13 5345 1 1 7 TRP HE1 H -4.093 -1.502 -0.113 1.00 . A A . 7 TRP HE1 1 1 13 5346 1 1 7 TRP HE3 H -0.535 1.473 2.560 1.00 . A A . 7 TRP HE3 1 1 13 5347 1 1 7 TRP HH2 H 0.866 -1.324 -0.352 1.00 . A A . 7 TRP HH2 1 1 13 5348 1 1 7 TRP HZ2 H -1.434 -2.045 -0.856 1.00 . A A . 7 TRP HZ2 1 1 13 5349 1 1 7 TRP HZ3 H 1.301 0.392 1.328 1.00 . A A . 7 TRP HZ3 1 1 13 5350 1 1 7 TRP N N -5.131 3.059 1.674 1.00 . A A . 7 TRP N 1 1 13 5351 1 1 7 TRP NE1 N -3.646 -0.865 0.490 1.00 . A A . 7 TRP NE1 1 1 13 5352 1 1 7 TRP O O -2.693 3.889 0.740 1.00 . A A . 7 TRP O 1 1 13 5353 1 1 8 ALA C C 0.510 4.098 2.545 1.00 . A A . 8 ALA C 1 1 13 5354 1 1 8 ALA CA C -0.711 4.988 2.350 1.00 . A A . 8 ALA CA 1 1 13 5355 1 1 8 ALA CB C -0.531 6.308 3.084 1.00 . A A . 8 ALA CB 1 1 13 5356 1 1 8 ALA H H -2.073 4.212 3.773 1.00 . A A . 8 ALA H 1 1 13 5357 1 1 8 ALA HA H -0.829 5.200 1.295 1.00 . A A . 8 ALA HA 1 1 13 5358 1 1 8 ALA HB1 H -1.425 6.905 2.977 1.00 . A A . 8 ALA HB1 1 1 13 5359 1 1 8 ALA HB2 H 0.309 6.841 2.666 1.00 . A A . 8 ALA HB2 1 1 13 5360 1 1 8 ALA HB3 H -0.350 6.115 4.132 1.00 . A A . 8 ALA HB3 1 1 13 5361 1 1 8 ALA N N -1.916 4.310 2.811 1.00 . A A . 8 ALA N 1 1 13 5362 1 1 8 ALA O O 0.883 3.776 3.673 1.00 . A A . 8 ALA O 1 1 13 5363 1 1 9 CYS C C 3.480 3.550 2.119 1.00 . A A . 9 CYS C 1 1 13 5364 1 1 9 CYS CA C 2.295 2.839 1.482 1.00 . A A . 9 CYS CA 1 1 13 5365 1 1 9 CYS CB C 2.660 2.380 0.073 1.00 . A A . 9 CYS CB 1 1 13 5366 1 1 9 CYS H H 0.780 3.987 0.571 1.00 . A A . 9 CYS H 1 1 13 5367 1 1 9 CYS HA H 2.048 1.976 2.077 1.00 . A A . 9 CYS HA 1 1 13 5368 1 1 9 CYS HB2 H 1.760 2.076 -0.445 1.00 . A A . 9 CYS HB2 1 1 13 5369 1 1 9 CYS HB3 H 3.114 3.203 -0.458 1.00 . A A . 9 CYS HB3 1 1 13 5370 1 1 9 CYS N N 1.123 3.698 1.439 1.00 . A A . 9 CYS N 1 1 13 5371 1 1 9 CYS O O 3.507 4.777 2.210 1.00 . A A . 9 CYS O 1 1 13 5372 1 1 9 CYS SG S 3.815 0.988 0.025 1.00 . A A . 9 CYS SG 1 1 13 5373 1 1 10 GLN C C 6.900 2.968 2.364 1.00 . A A . 10 GLN C 1 1 13 5374 1 1 10 GLN CA C 5.654 3.321 3.174 1.00 . A A . 10 GLN CA 1 1 13 5375 1 1 10 GLN CB C 5.801 2.807 4.609 1.00 . A A . 10 GLN CB 1 1 13 5376 1 1 10 GLN CD C 3.966 1.310 5.488 1.00 . A A . 10 GLN CD 1 1 13 5377 1 1 10 GLN CG C 4.485 2.730 5.368 1.00 . A A . 10 GLN CG 1 1 13 5378 1 1 10 GLN H H 4.384 1.798 2.450 1.00 . A A . 10 GLN H 1 1 13 5379 1 1 10 GLN HA H 5.543 4.395 3.193 1.00 . A A . 10 GLN HA 1 1 13 5380 1 1 10 GLN HB2 H 6.234 1.819 4.581 1.00 . A A . 10 GLN HB2 1 1 13 5381 1 1 10 GLN HB3 H 6.464 3.466 5.148 1.00 . A A . 10 GLN HB3 1 1 13 5382 1 1 10 GLN HE21 H 2.938 1.517 3.798 1.00 . A A . 10 GLN HE21 1 1 13 5383 1 1 10 GLN HE22 H 2.804 -0.020 4.575 1.00 . A A . 10 GLN HE22 1 1 13 5384 1 1 10 GLN HG2 H 4.633 3.127 6.361 1.00 . A A . 10 GLN HG2 1 1 13 5385 1 1 10 GLN HG3 H 3.749 3.325 4.849 1.00 . A A . 10 GLN HG3 1 1 13 5386 1 1 10 GLN N N 4.462 2.768 2.553 1.00 . A A . 10 GLN N 1 1 13 5387 1 1 10 GLN NE2 N 3.153 0.894 4.522 1.00 . A A . 10 GLN NE2 1 1 13 5388 1 1 10 GLN O O 7.977 2.762 2.921 1.00 . A A . 10 GLN O 1 1 13 5389 1 1 10 GLN OE1 O 4.290 0.596 6.436 1.00 . A A . 10 GLN OE1 1 1 13 5390 1 1 11 HIS C C 7.800 3.499 -1.065 1.00 . A A . 11 HIS C 1 1 13 5391 1 1 11 HIS CA C 7.852 2.592 0.152 1.00 . A A . 11 HIS CA 1 1 13 5392 1 1 11 HIS CB C 7.791 1.125 -0.279 1.00 . A A . 11 HIS CB 1 1 13 5393 1 1 11 HIS CD2 C 10.144 0.089 -0.010 1.00 . A A . 11 HIS CD2 1 1 13 5394 1 1 11 HIS CE1 C 10.689 -0.032 -2.129 1.00 . A A . 11 HIS CE1 1 1 13 5395 1 1 11 HIS CG C 9.111 0.576 -0.722 1.00 . A A . 11 HIS CG 1 1 13 5396 1 1 11 HIS H H 5.860 3.092 0.653 1.00 . A A . 11 HIS H 1 1 13 5397 1 1 11 HIS HA H 8.773 2.769 0.687 1.00 . A A . 11 HIS HA 1 1 13 5398 1 1 11 HIS HB2 H 7.445 0.527 0.551 1.00 . A A . 11 HIS HB2 1 1 13 5399 1 1 11 HIS HB3 H 7.097 1.027 -1.101 1.00 . A A . 11 HIS HB3 1 1 13 5400 1 1 11 HIS HD1 H 8.940 0.764 -2.814 1.00 . A A . 11 HIS HD1 1 1 13 5401 1 1 11 HIS HD2 H 10.208 0.003 1.069 1.00 . A A . 11 HIS HD2 1 1 13 5402 1 1 11 HIS HE1 H 11.237 -0.219 -3.041 1.00 . A A . 11 HIS HE1 1 1 13 5403 1 1 11 HIS HE2 H 12.023 -0.592 -0.674 1.00 . A A . 11 HIS HE2 1 1 13 5404 1 1 11 HIS N N 6.744 2.909 1.044 1.00 . A A . 11 HIS N 1 1 13 5405 1 1 11 HIS ND1 N 9.484 0.488 -2.047 1.00 . A A . 11 HIS ND1 1 1 13 5406 1 1 11 HIS NE2 N 11.118 -0.284 -0.906 1.00 . A A . 11 HIS NE2 1 1 13 5407 1 1 11 HIS O O 8.733 4.254 -1.335 1.00 . A A . 11 HIS O 1 1 13 5408 1 1 12 CYS C C 5.911 5.613 -2.519 1.00 . A A . 12 CYS C 1 1 13 5409 1 1 12 CYS CA C 6.479 4.266 -2.945 1.00 . A A . 12 CYS CA 1 1 13 5410 1 1 12 CYS CB C 5.524 3.577 -3.911 1.00 . A A . 12 CYS CB 1 1 13 5411 1 1 12 CYS H H 5.970 2.833 -1.504 1.00 . A A . 12 CYS H 1 1 13 5412 1 1 12 CYS HA H 7.433 4.417 -3.428 1.00 . A A . 12 CYS HA 1 1 13 5413 1 1 12 CYS HB2 H 5.234 4.282 -4.656 1.00 . A A . 12 CYS HB2 1 1 13 5414 1 1 12 CYS HB3 H 6.031 2.747 -4.382 1.00 . A A . 12 CYS HB3 1 1 13 5415 1 1 12 CYS N N 6.684 3.438 -1.780 1.00 . A A . 12 CYS N 1 1 13 5416 1 1 12 CYS O O 6.224 6.647 -3.105 1.00 . A A . 12 CYS O 1 1 13 5417 1 1 12 CYS SG S 4.009 2.945 -3.157 1.00 . A A . 12 CYS SG 1 1 13 5418 1 1 13 THR C C 3.197 7.169 -1.690 1.00 . A A . 13 THR C 1 1 13 5419 1 1 13 THR CA C 4.446 6.766 -0.907 1.00 . A A . 13 THR CA 1 1 13 5420 1 1 13 THR CB C 5.448 7.932 -0.808 1.00 . A A . 13 THR CB 1 1 13 5421 1 1 13 THR CG2 C 5.465 8.864 -2.007 1.00 . A A . 13 THR CG2 1 1 13 5422 1 1 13 THR H H 4.893 4.698 -1.066 1.00 . A A . 13 THR H 1 1 13 5423 1 1 13 THR HA H 4.136 6.504 0.094 1.00 . A A . 13 THR HA 1 1 13 5424 1 1 13 THR HB H 6.438 7.521 -0.695 1.00 . A A . 13 THR HB 1 1 13 5425 1 1 13 THR HG1 H 5.853 8.578 0.996 1.00 . A A . 13 THR HG1 1 1 13 5426 1 1 13 THR HG21 H 6.488 9.065 -2.291 1.00 . A A . 13 THR HG21 1 1 13 5427 1 1 13 THR HG22 H 4.976 9.792 -1.748 1.00 . A A . 13 THR HG22 1 1 13 5428 1 1 13 THR HG23 H 4.947 8.403 -2.833 1.00 . A A . 13 THR HG23 1 1 13 5429 1 1 13 THR N N 5.081 5.572 -1.475 1.00 . A A . 13 THR N 1 1 13 5430 1 1 13 THR O O 2.908 8.354 -1.859 1.00 . A A . 13 THR O 1 1 13 5431 1 1 13 THR OG1 O 5.172 8.723 0.335 1.00 . A A . 13 THR OG1 1 1 13 5432 1 1 14 PHE C C 0.041 5.795 -2.177 1.00 . A A . 14 PHE C 1 1 13 5433 1 1 14 PHE CA C 1.231 6.414 -2.893 1.00 . A A . 14 PHE CA 1 1 13 5434 1 1 14 PHE CB C 1.353 5.834 -4.300 1.00 . A A . 14 PHE CB 1 1 13 5435 1 1 14 PHE CD1 C -0.201 7.382 -5.519 1.00 . A A . 14 PHE CD1 1 1 13 5436 1 1 14 PHE CD2 C -0.604 5.034 -5.651 1.00 . A A . 14 PHE CD2 1 1 13 5437 1 1 14 PHE CE1 C -1.298 7.617 -6.326 1.00 . A A . 14 PHE CE1 1 1 13 5438 1 1 14 PHE CE2 C -1.702 5.265 -6.457 1.00 . A A . 14 PHE CE2 1 1 13 5439 1 1 14 PHE CG C 0.158 6.089 -5.174 1.00 . A A . 14 PHE CG 1 1 13 5440 1 1 14 PHE CZ C -2.050 6.558 -6.794 1.00 . A A . 14 PHE CZ 1 1 13 5441 1 1 14 PHE H H 2.723 5.252 -1.972 1.00 . A A . 14 PHE H 1 1 13 5442 1 1 14 PHE HA H 1.083 7.479 -2.963 1.00 . A A . 14 PHE HA 1 1 13 5443 1 1 14 PHE HB2 H 2.210 6.269 -4.780 1.00 . A A . 14 PHE HB2 1 1 13 5444 1 1 14 PHE HB3 H 1.492 4.766 -4.229 1.00 . A A . 14 PHE HB3 1 1 13 5445 1 1 14 PHE HD1 H 0.386 8.210 -5.154 1.00 . A A . 14 PHE HD1 1 1 13 5446 1 1 14 PHE HD2 H -0.332 4.023 -5.387 1.00 . A A . 14 PHE HD2 1 1 13 5447 1 1 14 PHE HE1 H -1.569 8.630 -6.588 1.00 . A A . 14 PHE HE1 1 1 13 5448 1 1 14 PHE HE2 H -2.288 4.433 -6.822 1.00 . A A . 14 PHE HE2 1 1 13 5449 1 1 14 PHE HZ H -2.909 6.740 -7.425 1.00 . A A . 14 PHE HZ 1 1 13 5450 1 1 14 PHE N N 2.451 6.173 -2.148 1.00 . A A . 14 PHE N 1 1 13 5451 1 1 14 PHE O O 0.202 4.971 -1.277 1.00 . A A . 14 PHE O 1 1 13 5452 1 1 15 MET C C -2.765 4.371 -2.669 1.00 . A A . 15 MET C 1 1 13 5453 1 1 15 MET CA C -2.375 5.669 -1.994 1.00 . A A . 15 MET CA 1 1 13 5454 1 1 15 MET CB C -3.509 6.690 -2.104 1.00 . A A . 15 MET CB 1 1 13 5455 1 1 15 MET CE C -5.379 8.053 1.255 1.00 . A A . 15 MET CE 1 1 13 5456 1 1 15 MET CG C -4.499 6.625 -0.952 1.00 . A A . 15 MET CG 1 1 13 5457 1 1 15 MET H H -1.207 6.844 -3.313 1.00 . A A . 15 MET H 1 1 13 5458 1 1 15 MET HA H -2.179 5.460 -0.948 1.00 . A A . 15 MET HA 1 1 13 5459 1 1 15 MET HB2 H -3.083 7.682 -2.129 1.00 . A A . 15 MET HB2 1 1 13 5460 1 1 15 MET HB3 H -4.047 6.514 -3.023 1.00 . A A . 15 MET HB3 1 1 13 5461 1 1 15 MET HE1 H -4.554 8.520 1.773 1.00 . A A . 15 MET HE1 1 1 13 5462 1 1 15 MET HE2 H -5.410 7.001 1.501 1.00 . A A . 15 MET HE2 1 1 13 5463 1 1 15 MET HE3 H -6.304 8.520 1.556 1.00 . A A . 15 MET HE3 1 1 13 5464 1 1 15 MET HG2 H -5.320 5.983 -1.236 1.00 . A A . 15 MET HG2 1 1 13 5465 1 1 15 MET HG3 H -4.000 6.208 -0.089 1.00 . A A . 15 MET HG3 1 1 13 5466 1 1 15 MET N N -1.150 6.191 -2.587 1.00 . A A . 15 MET N 1 1 13 5467 1 1 15 MET O O -2.436 4.139 -3.833 1.00 . A A . 15 MET O 1 1 13 5468 1 1 15 MET SD S -5.159 8.245 -0.512 1.00 . A A . 15 MET SD 1 1 13 5469 1 1 16 ASN C C -5.226 1.822 -1.987 1.00 . A A . 16 ASN C 1 1 13 5470 1 1 16 ASN CA C -3.820 2.215 -2.438 1.00 . A A . 16 ASN CA 1 1 13 5471 1 1 16 ASN CB C -2.806 1.193 -1.954 1.00 . A A . 16 ASN CB 1 1 13 5472 1 1 16 ASN CG C -2.534 0.110 -2.970 1.00 . A A . 16 ASN CG 1 1 13 5473 1 1 16 ASN H H -3.636 3.737 -0.992 1.00 . A A . 16 ASN H 1 1 13 5474 1 1 16 ASN HA H -3.791 2.257 -3.515 1.00 . A A . 16 ASN HA 1 1 13 5475 1 1 16 ASN HB2 H -1.876 1.697 -1.741 1.00 . A A . 16 ASN HB2 1 1 13 5476 1 1 16 ASN HB3 H -3.174 0.748 -1.052 1.00 . A A . 16 ASN HB3 1 1 13 5477 1 1 16 ASN HD21 H -1.330 1.331 -3.974 1.00 . A A . 16 ASN HD21 1 1 13 5478 1 1 16 ASN HD22 H -1.520 -0.252 -4.637 1.00 . A A . 16 ASN HD22 1 1 13 5479 1 1 16 ASN N N -3.430 3.509 -1.922 1.00 . A A . 16 ASN N 1 1 13 5480 1 1 16 ASN ND2 N -1.710 0.426 -3.960 1.00 . A A . 16 ASN ND2 1 1 13 5481 1 1 16 ASN O O -5.684 2.232 -0.923 1.00 . A A . 16 ASN O 1 1 13 5482 1 1 16 ASN OD1 O -3.049 -1.000 -2.863 1.00 . A A . 16 ASN OD1 1 1 13 5483 1 1 17 GLN C C -7.283 -0.317 -1.255 1.00 . A A . 17 GLN C 1 1 13 5484 1 1 17 GLN CA C -7.259 0.573 -2.499 1.00 . A A . 17 GLN CA 1 1 13 5485 1 1 17 GLN CB C -7.842 -0.176 -3.689 1.00 . A A . 17 GLN CB 1 1 13 5486 1 1 17 GLN CD C -9.905 1.179 -4.239 1.00 . A A . 17 GLN CD 1 1 13 5487 1 1 17 GLN CG C -8.534 0.725 -4.700 1.00 . A A . 17 GLN CG 1 1 13 5488 1 1 17 GLN H H -5.482 0.729 -3.641 1.00 . A A . 17 GLN H 1 1 13 5489 1 1 17 GLN HA H -7.859 1.441 -2.317 1.00 . A A . 17 GLN HA 1 1 13 5490 1 1 17 GLN HB2 H -7.042 -0.685 -4.188 1.00 . A A . 17 GLN HB2 1 1 13 5491 1 1 17 GLN HB3 H -8.557 -0.902 -3.333 1.00 . A A . 17 GLN HB3 1 1 13 5492 1 1 17 GLN HE21 H -9.096 2.698 -3.243 1.00 . A A . 17 GLN HE21 1 1 13 5493 1 1 17 GLN HE22 H -10.817 2.575 -3.155 1.00 . A A . 17 GLN HE22 1 1 13 5494 1 1 17 GLN HG2 H -7.921 1.598 -4.863 1.00 . A A . 17 GLN HG2 1 1 13 5495 1 1 17 GLN HG3 H -8.643 0.184 -5.628 1.00 . A A . 17 GLN HG3 1 1 13 5496 1 1 17 GLN N N -5.904 1.023 -2.807 1.00 . A A . 17 GLN N 1 1 13 5497 1 1 17 GLN NE2 N -9.942 2.259 -3.468 1.00 . A A . 17 GLN NE2 1 1 13 5498 1 1 17 GLN O O -6.249 -0.832 -0.829 1.00 . A A . 17 GLN O 1 1 13 5499 1 1 17 GLN OE1 O -10.918 0.565 -4.573 1.00 . A A . 17 GLN OE1 1 1 13 5500 1 1 18 PRO C C -8.516 -2.826 0.273 1.00 . A A . 18 PRO C 1 1 13 5501 1 1 18 PRO CA C -8.636 -1.330 0.551 1.00 . A A . 18 PRO CA 1 1 13 5502 1 1 18 PRO CB C -10.052 -0.993 1.017 1.00 . A A . 18 PRO CB 1 1 13 5503 1 1 18 PRO CD C -9.753 0.081 -1.096 1.00 . A A . 18 PRO CD 1 1 13 5504 1 1 18 PRO CG C -10.772 -0.599 -0.224 1.00 . A A . 18 PRO CG 1 1 13 5505 1 1 18 PRO HA H -7.928 -1.051 1.318 1.00 . A A . 18 PRO HA 1 1 13 5506 1 1 18 PRO HB2 H -10.499 -1.864 1.476 1.00 . A A . 18 PRO HB2 1 1 13 5507 1 1 18 PRO HB3 H -10.019 -0.183 1.728 1.00 . A A . 18 PRO HB3 1 1 13 5508 1 1 18 PRO HD2 H -9.939 -0.140 -2.136 1.00 . A A . 18 PRO HD2 1 1 13 5509 1 1 18 PRO HD3 H -9.766 1.149 -0.928 1.00 . A A . 18 PRO HD3 1 1 13 5510 1 1 18 PRO HG2 H -11.161 -1.478 -0.718 1.00 . A A . 18 PRO HG2 1 1 13 5511 1 1 18 PRO HG3 H -11.574 0.082 0.018 1.00 . A A . 18 PRO HG3 1 1 13 5512 1 1 18 PRO N N -8.473 -0.504 -0.653 1.00 . A A . 18 PRO N 1 1 13 5513 1 1 18 PRO O O -8.474 -3.634 1.201 1.00 . A A . 18 PRO O 1 1 13 5514 1 1 19 GLY C C -6.978 -4.935 -1.924 1.00 . A A . 19 GLY C 1 1 13 5515 1 1 19 GLY CA C -8.345 -4.597 -1.363 1.00 . A A . 19 GLY CA 1 1 13 5516 1 1 19 GLY H H -8.494 -2.513 -1.706 1.00 . A A . 19 GLY H 1 1 13 5517 1 1 19 GLY HA2 H -8.522 -5.199 -0.485 1.00 . A A . 19 GLY HA2 1 1 13 5518 1 1 19 GLY HA3 H -9.095 -4.830 -2.104 1.00 . A A . 19 GLY HA3 1 1 13 5519 1 1 19 GLY N N -8.460 -3.195 -1.003 1.00 . A A . 19 GLY N 1 1 13 5520 1 1 19 GLY O O -6.620 -6.107 -2.043 1.00 . A A . 19 GLY O 1 1 13 5521 1 1 20 THR C C -3.829 -4.013 -1.731 1.00 . A A . 20 THR C 1 1 13 5522 1 1 20 THR CA C -4.886 -4.080 -2.823 1.00 . A A . 20 THR CA 1 1 13 5523 1 1 20 THR CB C -4.611 -3.002 -3.864 1.00 . A A . 20 THR CB 1 1 13 5524 1 1 20 THR CG2 C -5.114 -3.360 -5.239 1.00 . A A . 20 THR CG2 1 1 13 5525 1 1 20 THR H H -6.565 -2.995 -2.150 1.00 . A A . 20 THR H 1 1 13 5526 1 1 20 THR HA H -4.838 -5.047 -3.297 1.00 . A A . 20 THR HA 1 1 13 5527 1 1 20 THR HB H -3.545 -2.847 -3.930 1.00 . A A . 20 THR HB 1 1 13 5528 1 1 20 THR HG1 H -5.041 -1.116 -4.160 1.00 . A A . 20 THR HG1 1 1 13 5529 1 1 20 THR HG21 H -6.193 -3.399 -5.225 1.00 . A A . 20 THR HG21 1 1 13 5530 1 1 20 THR HG22 H -4.721 -4.323 -5.524 1.00 . A A . 20 THR HG22 1 1 13 5531 1 1 20 THR HG23 H -4.788 -2.613 -5.944 1.00 . A A . 20 THR HG23 1 1 13 5532 1 1 20 THR N N -6.219 -3.903 -2.270 1.00 . A A . 20 THR N 1 1 13 5533 1 1 20 THR O O -2.948 -3.157 -1.767 1.00 . A A . 20 THR O 1 1 13 5534 1 1 20 THR OG1 O -5.222 -1.780 -3.492 1.00 . A A . 20 THR OG1 1 1 13 5535 1 1 21 GLY C C -1.526 -4.787 -0.192 1.00 . A A . 21 GLY C 1 1 13 5536 1 1 21 GLY CA C -2.944 -4.933 0.316 1.00 . A A . 21 GLY CA 1 1 13 5537 1 1 21 GLY H H -4.635 -5.583 -0.784 1.00 . A A . 21 GLY H 1 1 13 5538 1 1 21 GLY HA2 H -3.159 -4.117 0.991 1.00 . A A . 21 GLY HA2 1 1 13 5539 1 1 21 GLY HA3 H -3.028 -5.860 0.852 1.00 . A A . 21 GLY HA3 1 1 13 5540 1 1 21 GLY N N -3.914 -4.919 -0.763 1.00 . A A . 21 GLY N 1 1 13 5541 1 1 21 GLY O O -0.668 -4.224 0.487 1.00 . A A . 21 GLY O 1 1 13 5542 1 1 22 HIS C C 0.299 -3.733 -2.413 1.00 . A A . 22 HIS C 1 1 13 5543 1 1 22 HIS CA C 0.035 -5.181 -2.001 1.00 . A A . 22 HIS CA 1 1 13 5544 1 1 22 HIS CB C 0.159 -6.135 -3.195 1.00 . A A . 22 HIS CB 1 1 13 5545 1 1 22 HIS CD2 C 1.259 -8.480 -3.064 1.00 . A A . 22 HIS CD2 1 1 13 5546 1 1 22 HIS CE1 C -0.268 -9.483 -1.853 1.00 . A A . 22 HIS CE1 1 1 13 5547 1 1 22 HIS CG C 0.289 -7.572 -2.799 1.00 . A A . 22 HIS CG 1 1 13 5548 1 1 22 HIS H H -2.010 -5.703 -1.904 1.00 . A A . 22 HIS H 1 1 13 5549 1 1 22 HIS HA H 0.754 -5.461 -1.247 1.00 . A A . 22 HIS HA 1 1 13 5550 1 1 22 HIS HB2 H -0.719 -6.039 -3.815 1.00 . A A . 22 HIS HB2 1 1 13 5551 1 1 22 HIS HB3 H 1.033 -5.867 -3.771 1.00 . A A . 22 HIS HB3 1 1 13 5552 1 1 22 HIS HD1 H -1.481 -7.844 -1.687 1.00 . A A . 22 HIS HD1 1 1 13 5553 1 1 22 HIS HD2 H 2.157 -8.308 -3.641 1.00 . A A . 22 HIS HD2 1 1 13 5554 1 1 22 HIS HE1 H -0.809 -10.235 -1.295 1.00 . A A . 22 HIS HE1 1 1 13 5555 1 1 22 HIS HE2 H 1.438 -10.469 -2.414 1.00 . A A . 22 HIS HE2 1 1 13 5556 1 1 22 HIS N N -1.283 -5.280 -1.402 1.00 . A A . 22 HIS N 1 1 13 5557 1 1 22 HIS ND1 N -0.653 -8.233 -2.039 1.00 . A A . 22 HIS ND1 1 1 13 5558 1 1 22 HIS NE2 N 0.889 -9.659 -2.465 1.00 . A A . 22 HIS NE2 1 1 13 5559 1 1 22 HIS O O 0.439 -2.871 -1.555 1.00 . A A . 22 HIS O 1 1 13 5560 1 1 23 CYS C C 0.717 -2.050 -5.701 1.00 . A A . 23 CYS C 1 1 13 5561 1 1 23 CYS CA C 0.572 -2.095 -4.186 1.00 . A A . 23 CYS CA 1 1 13 5562 1 1 23 CYS CB C 1.809 -1.485 -3.533 1.00 . A A . 23 CYS CB 1 1 13 5563 1 1 23 CYS H H 0.226 -4.165 -4.364 1.00 . A A . 23 CYS H 1 1 13 5564 1 1 23 CYS HA H -0.290 -1.509 -3.906 1.00 . A A . 23 CYS HA 1 1 13 5565 1 1 23 CYS HB2 H 2.167 -2.141 -2.760 1.00 . A A . 23 CYS HB2 1 1 13 5566 1 1 23 CYS HB3 H 2.576 -1.372 -4.275 1.00 . A A . 23 CYS HB3 1 1 13 5567 1 1 23 CYS N N 0.350 -3.454 -3.713 1.00 . A A . 23 CYS N 1 1 13 5568 1 1 23 CYS O O 1.140 -3.021 -6.327 1.00 . A A . 23 CYS O 1 1 13 5569 1 1 23 CYS SG S 1.517 0.139 -2.794 1.00 . A A . 23 CYS SG 1 1 13 5570 1 1 24 GLU C C 1.664 0.192 -8.039 1.00 . A A . 24 GLU C 1 1 13 5571 1 1 24 GLU CA C 0.478 -0.710 -7.714 1.00 . A A . 24 GLU CA 1 1 13 5572 1 1 24 GLU CB C -0.815 -0.103 -8.265 1.00 . A A . 24 GLU CB 1 1 13 5573 1 1 24 GLU CD C -2.262 -0.442 -10.307 1.00 . A A . 24 GLU CD 1 1 13 5574 1 1 24 GLU CG C -1.649 -1.080 -9.075 1.00 . A A . 24 GLU CG 1 1 13 5575 1 1 24 GLU H H 0.058 -0.165 -5.719 1.00 . A A . 24 GLU H 1 1 13 5576 1 1 24 GLU HA H 0.637 -1.675 -8.171 1.00 . A A . 24 GLU HA 1 1 13 5577 1 1 24 GLU HB2 H -1.413 0.248 -7.438 1.00 . A A . 24 GLU HB2 1 1 13 5578 1 1 24 GLU HB3 H -0.566 0.737 -8.899 1.00 . A A . 24 GLU HB3 1 1 13 5579 1 1 24 GLU HG2 H -1.017 -1.898 -9.390 1.00 . A A . 24 GLU HG2 1 1 13 5580 1 1 24 GLU HG3 H -2.444 -1.459 -8.451 1.00 . A A . 24 GLU HG3 1 1 13 5581 1 1 24 GLU N N 0.376 -0.905 -6.277 1.00 . A A . 24 GLU N 1 1 13 5582 1 1 24 GLU O O 1.696 0.844 -9.082 1.00 . A A . 24 GLU O 1 1 13 5583 1 1 24 GLU OE1 O -3.360 0.141 -10.190 1.00 . A A . 24 GLU OE1 1 1 13 5584 1 1 24 GLU OE2 O -1.643 -0.525 -11.389 1.00 . A A . 24 GLU OE2 1 1 13 5585 1 1 25 MET C C 5.074 0.213 -7.016 1.00 . A A . 25 MET C 1 1 13 5586 1 1 25 MET CA C 3.829 1.034 -7.317 1.00 . A A . 25 MET CA 1 1 13 5587 1 1 25 MET CB C 3.778 2.268 -6.413 1.00 . A A . 25 MET CB 1 1 13 5588 1 1 25 MET CE C 3.943 4.133 -9.860 1.00 . A A . 25 MET CE 1 1 13 5589 1 1 25 MET CG C 4.006 3.574 -7.154 1.00 . A A . 25 MET CG 1 1 13 5590 1 1 25 MET H H 2.562 -0.326 -6.321 1.00 . A A . 25 MET H 1 1 13 5591 1 1 25 MET HA H 3.861 1.352 -8.349 1.00 . A A . 25 MET HA 1 1 13 5592 1 1 25 MET HB2 H 2.808 2.312 -5.940 1.00 . A A . 25 MET HB2 1 1 13 5593 1 1 25 MET HB3 H 4.536 2.173 -5.652 1.00 . A A . 25 MET HB3 1 1 13 5594 1 1 25 MET HE1 H 4.775 4.733 -9.520 1.00 . A A . 25 MET HE1 1 1 13 5595 1 1 25 MET HE2 H 3.417 4.663 -10.642 1.00 . A A . 25 MET HE2 1 1 13 5596 1 1 25 MET HE3 H 4.312 3.195 -10.248 1.00 . A A . 25 MET HE3 1 1 13 5597 1 1 25 MET HG2 H 3.907 4.392 -6.455 1.00 . A A . 25 MET HG2 1 1 13 5598 1 1 25 MET HG3 H 5.006 3.571 -7.563 1.00 . A A . 25 MET HG3 1 1 13 5599 1 1 25 MET N N 2.641 0.220 -7.133 1.00 . A A . 25 MET N 1 1 13 5600 1 1 25 MET O O 5.919 0.011 -7.888 1.00 . A A . 25 MET O 1 1 13 5601 1 1 25 MET SD S 2.832 3.824 -8.500 1.00 . A A . 25 MET SD 1 1 13 5602 1 1 26 CYS C C 6.115 -2.534 -5.777 1.00 . A A . 26 CYS C 1 1 13 5603 1 1 26 CYS CA C 6.318 -1.071 -5.388 1.00 . A A . 26 CYS CA 1 1 13 5604 1 1 26 CYS CB C 6.553 -0.960 -3.885 1.00 . A A . 26 CYS CB 1 1 13 5605 1 1 26 CYS H H 4.478 -0.084 -5.117 1.00 . A A . 26 CYS H 1 1 13 5606 1 1 26 CYS HA H 7.185 -0.691 -5.907 1.00 . A A . 26 CYS HA 1 1 13 5607 1 1 26 CYS HB2 H 7.203 -1.750 -3.589 1.00 . A A . 26 CYS HB2 1 1 13 5608 1 1 26 CYS HB3 H 7.022 -0.011 -3.668 1.00 . A A . 26 CYS HB3 1 1 13 5609 1 1 26 CYS N N 5.180 -0.269 -5.780 1.00 . A A . 26 CYS N 1 1 13 5610 1 1 26 CYS O O 7.001 -3.150 -6.371 1.00 . A A . 26 CYS O 1 1 13 5611 1 1 26 CYS SG S 5.066 -1.086 -2.869 1.00 . A A . 26 CYS SG 1 1 13 5612 1 1 27 SER C C 4.937 -5.318 -4.470 1.00 . A A . 27 SER C 1 1 13 5613 1 1 27 SER CA C 4.613 -4.484 -5.692 1.00 . A A . 27 SER CA 1 1 13 5614 1 1 27 SER CB C 5.358 -5.023 -6.913 1.00 . A A . 27 SER CB 1 1 13 5615 1 1 27 SER H H 4.306 -2.540 -4.918 1.00 . A A . 27 SER H 1 1 13 5616 1 1 27 SER HA H 3.553 -4.536 -5.876 1.00 . A A . 27 SER HA 1 1 13 5617 1 1 27 SER HB2 H 5.373 -4.266 -7.681 1.00 . A A . 27 SER HB2 1 1 13 5618 1 1 27 SER HB3 H 6.368 -5.272 -6.629 1.00 . A A . 27 SER HB3 1 1 13 5619 1 1 27 SER HG H 3.862 -5.950 -7.775 1.00 . A A . 27 SER HG 1 1 13 5620 1 1 27 SER N N 4.952 -3.084 -5.415 1.00 . A A . 27 SER N 1 1 13 5621 1 1 27 SER O O 5.399 -6.455 -4.566 1.00 . A A . 27 SER O 1 1 13 5622 1 1 27 SER OG O 4.726 -6.182 -7.427 1.00 . A A . 27 SER OG 1 1 13 5623 1 1 28 LEU C C 3.684 -5.459 -1.238 1.00 . A A . 28 LEU C 1 1 13 5624 1 1 28 LEU CA C 4.971 -5.328 -2.041 1.00 . A A . 28 LEU CA 1 1 13 5625 1 1 28 LEU CB C 5.974 -4.463 -1.294 1.00 . A A . 28 LEU CB 1 1 13 5626 1 1 28 LEU CD1 C 8.345 -3.869 -0.752 1.00 . A A . 28 LEU CD1 1 1 13 5627 1 1 28 LEU CD2 C 7.656 -6.271 -0.830 1.00 . A A . 28 LEU CD2 1 1 13 5628 1 1 28 LEU CG C 7.439 -4.888 -1.422 1.00 . A A . 28 LEU CG 1 1 13 5629 1 1 28 LEU H H 4.352 -3.801 -3.325 1.00 . A A . 28 LEU H 1 1 13 5630 1 1 28 LEU HA H 5.394 -6.306 -2.208 1.00 . A A . 28 LEU HA 1 1 13 5631 1 1 28 LEU HB2 H 5.886 -3.460 -1.671 1.00 . A A . 28 LEU HB2 1 1 13 5632 1 1 28 LEU HB3 H 5.704 -4.451 -0.264 1.00 . A A . 28 LEU HB3 1 1 13 5633 1 1 28 LEU HD11 H 8.657 -3.134 -1.481 1.00 . A A . 28 LEU HD11 1 1 13 5634 1 1 28 LEU HD12 H 9.211 -4.371 -0.347 1.00 . A A . 28 LEU HD12 1 1 13 5635 1 1 28 LEU HD13 H 7.805 -3.375 0.044 1.00 . A A . 28 LEU HD13 1 1 13 5636 1 1 28 LEU HD21 H 7.628 -6.210 0.248 1.00 . A A . 28 LEU HD21 1 1 13 5637 1 1 28 LEU HD22 H 8.622 -6.646 -1.144 1.00 . A A . 28 LEU HD22 1 1 13 5638 1 1 28 LEU HD23 H 6.885 -6.940 -1.173 1.00 . A A . 28 LEU HD23 1 1 13 5639 1 1 28 LEU HG H 7.692 -4.924 -2.471 1.00 . A A . 28 LEU HG 1 1 13 5640 1 1 28 LEU N N 4.704 -4.712 -3.317 1.00 . A A . 28 LEU N 1 1 13 5641 1 1 28 LEU O O 2.652 -4.919 -1.624 1.00 . A A . 28 LEU O 1 1 13 5642 1 1 29 PRO C C 2.268 -5.165 1.632 1.00 . A A . 29 PRO C 1 1 13 5643 1 1 29 PRO CA C 2.568 -6.379 0.757 1.00 . A A . 29 PRO CA 1 1 13 5644 1 1 29 PRO CB C 2.986 -7.569 1.618 1.00 . A A . 29 PRO CB 1 1 13 5645 1 1 29 PRO CD C 4.936 -6.838 0.419 1.00 . A A . 29 PRO CD 1 1 13 5646 1 1 29 PRO CG C 4.471 -7.467 1.709 1.00 . A A . 29 PRO CG 1 1 13 5647 1 1 29 PRO HA H 1.690 -6.635 0.184 1.00 . A A . 29 PRO HA 1 1 13 5648 1 1 29 PRO HB2 H 2.523 -7.493 2.591 1.00 . A A . 29 PRO HB2 1 1 13 5649 1 1 29 PRO HB3 H 2.683 -8.488 1.139 1.00 . A A . 29 PRO HB3 1 1 13 5650 1 1 29 PRO HD2 H 5.714 -6.115 0.609 1.00 . A A . 29 PRO HD2 1 1 13 5651 1 1 29 PRO HD3 H 5.286 -7.594 -0.267 1.00 . A A . 29 PRO HD3 1 1 13 5652 1 1 29 PRO HG2 H 4.744 -6.843 2.547 1.00 . A A . 29 PRO HG2 1 1 13 5653 1 1 29 PRO HG3 H 4.900 -8.451 1.820 1.00 . A A . 29 PRO HG3 1 1 13 5654 1 1 29 PRO N N 3.733 -6.175 -0.106 1.00 . A A . 29 PRO N 1 1 13 5655 1 1 29 PRO O O 3.117 -4.292 1.812 1.00 . A A . 29 PRO O 1 1 13 5656 1 1 30 ARG C C 1.346 -4.075 4.383 1.00 . A A . 30 ARG C 1 1 13 5657 1 1 30 ARG CA C 0.639 -4.021 3.039 1.00 . A A . 30 ARG CA 1 1 13 5658 1 1 30 ARG CB C -0.876 -4.055 3.239 1.00 . A A . 30 ARG CB 1 1 13 5659 1 1 30 ARG CD C -3.054 -2.806 3.179 1.00 . A A . 30 ARG CD 1 1 13 5660 1 1 30 ARG CG C -1.541 -2.696 3.102 1.00 . A A . 30 ARG CG 1 1 13 5661 1 1 30 ARG CZ C -4.799 -2.712 4.917 1.00 . A A . 30 ARG CZ 1 1 13 5662 1 1 30 ARG H H 0.424 -5.850 2.005 1.00 . A A . 30 ARG H 1 1 13 5663 1 1 30 ARG HA H 0.910 -3.105 2.554 1.00 . A A . 30 ARG HA 1 1 13 5664 1 1 30 ARG HB2 H -1.305 -4.721 2.508 1.00 . A A . 30 ARG HB2 1 1 13 5665 1 1 30 ARG HB3 H -1.089 -4.437 4.222 1.00 . A A . 30 ARG HB3 1 1 13 5666 1 1 30 ARG HD2 H -3.488 -2.142 2.447 1.00 . A A . 30 ARG HD2 1 1 13 5667 1 1 30 ARG HD3 H -3.341 -3.823 2.957 1.00 . A A . 30 ARG HD3 1 1 13 5668 1 1 30 ARG HE H -2.950 -1.986 5.111 1.00 . A A . 30 ARG HE 1 1 13 5669 1 1 30 ARG HG2 H -1.195 -2.055 3.899 1.00 . A A . 30 ARG HG2 1 1 13 5670 1 1 30 ARG HG3 H -1.267 -2.268 2.149 1.00 . A A . 30 ARG HG3 1 1 13 5671 1 1 30 ARG HH11 H -5.375 -3.611 3.199 1.00 . A A . 30 ARG HH11 1 1 13 5672 1 1 30 ARG HH12 H -6.583 -3.534 4.437 1.00 . A A . 30 ARG HH12 1 1 13 5673 1 1 30 ARG HH21 H -4.538 -1.882 6.741 1.00 . A A . 30 ARG HH21 1 1 13 5674 1 1 30 ARG HH22 H -6.109 -2.551 6.448 1.00 . A A . 30 ARG HH22 1 1 13 5675 1 1 30 ARG N N 1.054 -5.121 2.177 1.00 . A A . 30 ARG N 1 1 13 5676 1 1 30 ARG NE N -3.563 -2.448 4.502 1.00 . A A . 30 ARG NE 1 1 13 5677 1 1 30 ARG NH1 N -5.656 -3.337 4.119 1.00 . A A . 30 ARG NH1 1 1 13 5678 1 1 30 ARG NH2 N -5.180 -2.352 6.136 1.00 . A A . 30 ARG NH2 1 1 13 5679 1 1 30 ARG O O 1.255 -3.148 5.188 1.00 . A A . 30 ARG O 1 1 13 5680 1 1 31 THR C C 4.047 -6.161 5.632 1.00 . A A . 31 THR C 1 1 13 5681 1 1 31 THR CA C 2.768 -5.361 5.865 1.00 . A A . 31 THR CA 1 1 13 5682 1 1 31 THR CB C 1.869 -6.072 6.879 1.00 . A A . 31 THR CB 1 1 13 5683 1 1 31 THR CG2 C 2.603 -6.549 8.116 1.00 . A A . 31 THR CG2 1 1 13 5684 1 1 31 THR H H 2.070 -5.869 3.939 1.00 . A A . 31 THR H 1 1 13 5685 1 1 31 THR HA H 3.027 -4.384 6.246 1.00 . A A . 31 THR HA 1 1 13 5686 1 1 31 THR HB H 1.425 -6.935 6.402 1.00 . A A . 31 THR HB 1 1 13 5687 1 1 31 THR HG1 H 1.190 -4.504 7.837 1.00 . A A . 31 THR HG1 1 1 13 5688 1 1 31 THR HG21 H 3.133 -5.720 8.562 1.00 . A A . 31 THR HG21 1 1 13 5689 1 1 31 THR HG22 H 3.308 -7.320 7.841 1.00 . A A . 31 THR HG22 1 1 13 5690 1 1 31 THR HG23 H 1.893 -6.947 8.825 1.00 . A A . 31 THR HG23 1 1 13 5691 1 1 31 THR N N 2.045 -5.170 4.619 1.00 . A A . 31 THR N 1 1 13 5692 1 1 31 THR O O 4.855 -6.338 6.543 1.00 . A A . 31 THR O 1 1 13 5693 1 1 31 THR OG1 O 0.824 -5.217 7.306 1.00 . A A . 31 THR OG1 1 1 13 5694 2 2 1 ZN ZN ZN 3.798 0.770 -2.389 1.00 . B A . 32 ZN ZN 1 1 14 5695 1 1 1 GLY C C -17.684 3.123 -4.833 1.00 . A A . 1 GLY C 1 1 14 5696 1 1 1 GLY CA C -17.698 3.722 -6.226 1.00 . A A . 1 GLY CA 1 1 14 5697 1 1 1 GLY H1 H -19.362 4.949 -5.927 1.00 . A A . 1 GLY H1 1 1 14 5698 1 1 1 GLY H2 H -19.729 3.455 -6.632 1.00 . A A . 1 GLY H2 1 1 14 5699 1 1 1 GLY H3 H -19.000 4.670 -7.556 1.00 . A A . 1 GLY H3 1 1 14 5700 1 1 1 GLY HA2 H -17.397 2.965 -6.935 1.00 . A A . 1 GLY HA2 1 1 14 5701 1 1 1 GLY HA3 H -16.991 4.537 -6.263 1.00 . A A . 1 GLY HA3 1 1 14 5702 1 1 1 GLY N N -19.042 4.235 -6.612 1.00 . A A . 1 GLY N 1 1 14 5703 1 1 1 GLY O O -17.532 3.839 -3.844 1.00 . A A . 1 GLY O 1 1 14 5704 1 1 2 SER C C -16.427 0.913 -2.957 1.00 . A A . 2 SER C 1 1 14 5705 1 1 2 SER CA C -17.848 1.110 -3.475 1.00 . A A . 2 SER CA 1 1 14 5706 1 1 2 SER CB C -18.546 -0.245 -3.609 1.00 . A A . 2 SER CB 1 1 14 5707 1 1 2 SER H H -17.959 1.289 -5.582 1.00 . A A . 2 SER H 1 1 14 5708 1 1 2 SER HA H -18.395 1.719 -2.770 1.00 . A A . 2 SER HA 1 1 14 5709 1 1 2 SER HB2 H -18.377 -0.638 -4.600 1.00 . A A . 2 SER HB2 1 1 14 5710 1 1 2 SER HB3 H -18.143 -0.928 -2.877 1.00 . A A . 2 SER HB3 1 1 14 5711 1 1 2 SER HG H -20.271 0.645 -3.876 1.00 . A A . 2 SER HG 1 1 14 5712 1 1 2 SER N N -17.843 1.806 -4.757 1.00 . A A . 2 SER N 1 1 14 5713 1 1 2 SER O O -15.590 0.309 -3.627 1.00 . A A . 2 SER O 1 1 14 5714 1 1 2 SER OG O -19.942 -0.122 -3.400 1.00 . A A . 2 SER OG 1 1 14 5715 1 1 3 THR C C -14.902 1.616 0.341 1.00 . A A . 3 THR C 1 1 14 5716 1 1 3 THR CA C -14.842 1.310 -1.153 1.00 . A A . 3 THR CA 1 1 14 5717 1 1 3 THR CB C -13.854 2.254 -1.839 1.00 . A A . 3 THR CB 1 1 14 5718 1 1 3 THR CG2 C -12.447 2.150 -1.293 1.00 . A A . 3 THR CG2 1 1 14 5719 1 1 3 THR H H -16.872 1.900 -1.275 1.00 . A A . 3 THR H 1 1 14 5720 1 1 3 THR HA H -14.506 0.293 -1.286 1.00 . A A . 3 THR HA 1 1 14 5721 1 1 3 THR HB H -14.190 3.272 -1.700 1.00 . A A . 3 THR HB 1 1 14 5722 1 1 3 THR HG1 H -13.613 2.809 -3.702 1.00 . A A . 3 THR HG1 1 1 14 5723 1 1 3 THR HG21 H -12.486 1.886 -0.247 1.00 . A A . 3 THR HG21 1 1 14 5724 1 1 3 THR HG22 H -11.946 3.100 -1.406 1.00 . A A . 3 THR HG22 1 1 14 5725 1 1 3 THR HG23 H -11.905 1.391 -1.836 1.00 . A A . 3 THR HG23 1 1 14 5726 1 1 3 THR N N -16.162 1.429 -1.760 1.00 . A A . 3 THR N 1 1 14 5727 1 1 3 THR O O -15.646 2.494 0.775 1.00 . A A . 3 THR O 1 1 14 5728 1 1 3 THR OG1 O -13.795 1.993 -3.231 1.00 . A A . 3 THR OG1 1 1 14 5729 1 1 4 SER C C -13.103 2.195 2.939 1.00 . A A . 4 SER C 1 1 14 5730 1 1 4 SER CA C -14.074 1.079 2.565 1.00 . A A . 4 SER CA 1 1 14 5731 1 1 4 SER CB C -13.671 -0.220 3.266 1.00 . A A . 4 SER CB 1 1 14 5732 1 1 4 SER H H -13.540 0.200 0.716 1.00 . A A . 4 SER H 1 1 14 5733 1 1 4 SER HA H -15.066 1.358 2.888 1.00 . A A . 4 SER HA 1 1 14 5734 1 1 4 SER HB2 H -12.767 -0.604 2.816 1.00 . A A . 4 SER HB2 1 1 14 5735 1 1 4 SER HB3 H -13.496 -0.023 4.313 1.00 . A A . 4 SER HB3 1 1 14 5736 1 1 4 SER HG H -15.538 -0.806 3.361 1.00 . A A . 4 SER HG 1 1 14 5737 1 1 4 SER N N -14.112 0.885 1.121 1.00 . A A . 4 SER N 1 1 14 5738 1 1 4 SER O O -13.517 3.309 3.261 1.00 . A A . 4 SER O 1 1 14 5739 1 1 4 SER OG O -14.689 -1.200 3.149 1.00 . A A . 4 SER OG 1 1 14 5740 1 1 5 ALA C C -9.439 2.481 2.621 1.00 . A A . 5 ALA C 1 1 14 5741 1 1 5 ALA CA C -10.782 2.867 3.228 1.00 . A A . 5 ALA CA 1 1 14 5742 1 1 5 ALA CB C -10.658 3.009 4.737 1.00 . A A . 5 ALA CB 1 1 14 5743 1 1 5 ALA H H -11.542 0.984 2.631 1.00 . A A . 5 ALA H 1 1 14 5744 1 1 5 ALA HA H -11.087 3.822 2.825 1.00 . A A . 5 ALA HA 1 1 14 5745 1 1 5 ALA HB1 H -9.808 3.632 4.972 1.00 . A A . 5 ALA HB1 1 1 14 5746 1 1 5 ALA HB2 H -10.522 2.033 5.181 1.00 . A A . 5 ALA HB2 1 1 14 5747 1 1 5 ALA HB3 H -11.556 3.460 5.132 1.00 . A A . 5 ALA HB3 1 1 14 5748 1 1 5 ALA N N -11.810 1.889 2.895 1.00 . A A . 5 ALA N 1 1 14 5749 1 1 5 ALA O O -8.919 1.395 2.878 1.00 . A A . 5 ALA O 1 1 14 5750 1 1 6 MET C C -6.462 3.218 2.189 1.00 . A A . 6 MET C 1 1 14 5751 1 1 6 MET CA C -7.596 3.132 1.176 1.00 . A A . 6 MET CA 1 1 14 5752 1 1 6 MET CB C -7.367 4.153 0.062 1.00 . A A . 6 MET CB 1 1 14 5753 1 1 6 MET CE C -8.734 5.660 -3.243 1.00 . A A . 6 MET CE 1 1 14 5754 1 1 6 MET CG C -8.179 3.878 -1.194 1.00 . A A . 6 MET CG 1 1 14 5755 1 1 6 MET H H -9.337 4.226 1.652 1.00 . A A . 6 MET H 1 1 14 5756 1 1 6 MET HA H -7.615 2.142 0.751 1.00 . A A . 6 MET HA 1 1 14 5757 1 1 6 MET HB2 H -7.627 5.129 0.432 1.00 . A A . 6 MET HB2 1 1 14 5758 1 1 6 MET HB3 H -6.323 4.151 -0.202 1.00 . A A . 6 MET HB3 1 1 14 5759 1 1 6 MET HE1 H -9.435 5.294 -3.979 1.00 . A A . 6 MET HE1 1 1 14 5760 1 1 6 MET HE2 H -7.766 5.213 -3.416 1.00 . A A . 6 MET HE2 1 1 14 5761 1 1 6 MET HE3 H -8.655 6.734 -3.323 1.00 . A A . 6 MET HE3 1 1 14 5762 1 1 6 MET HG2 H -7.499 3.734 -2.021 1.00 . A A . 6 MET HG2 1 1 14 5763 1 1 6 MET HG3 H -8.755 2.977 -1.043 1.00 . A A . 6 MET HG3 1 1 14 5764 1 1 6 MET N N -8.878 3.377 1.818 1.00 . A A . 6 MET N 1 1 14 5765 1 1 6 MET O O -6.690 3.496 3.367 1.00 . A A . 6 MET O 1 1 14 5766 1 1 6 MET SD S -9.308 5.224 -1.604 1.00 . A A . 6 MET SD 1 1 14 5767 1 1 7 TRP C C -2.906 3.752 1.928 1.00 . A A . 7 TRP C 1 1 14 5768 1 1 7 TRP CA C -4.077 3.055 2.602 1.00 . A A . 7 TRP CA 1 1 14 5769 1 1 7 TRP CB C -3.654 1.663 3.085 1.00 . A A . 7 TRP CB 1 1 14 5770 1 1 7 TRP CD1 C -4.278 -0.061 1.276 1.00 . A A . 7 TRP CD1 1 1 14 5771 1 1 7 TRP CD2 C -2.075 0.273 1.517 1.00 . A A . 7 TRP CD2 1 1 14 5772 1 1 7 TRP CE2 C -2.274 -0.694 0.512 1.00 . A A . 7 TRP CE2 1 1 14 5773 1 1 7 TRP CE3 C -0.766 0.645 1.840 1.00 . A A . 7 TRP CE3 1 1 14 5774 1 1 7 TRP CG C -3.369 0.667 1.994 1.00 . A A . 7 TRP CG 1 1 14 5775 1 1 7 TRP CH2 C 0.054 -0.909 0.170 1.00 . A A . 7 TRP CH2 1 1 14 5776 1 1 7 TRP CZ2 C -1.217 -1.292 -0.167 1.00 . A A . 7 TRP CZ2 1 1 14 5777 1 1 7 TRP CZ3 C 0.283 0.052 1.162 1.00 . A A . 7 TRP CZ3 1 1 14 5778 1 1 7 TRP H H -5.119 2.783 0.776 1.00 . A A . 7 TRP H 1 1 14 5779 1 1 7 TRP HA H -4.363 3.641 3.464 1.00 . A A . 7 TRP HA 1 1 14 5780 1 1 7 TRP HB2 H -2.757 1.761 3.677 1.00 . A A . 7 TRP HB2 1 1 14 5781 1 1 7 TRP HB3 H -4.437 1.262 3.707 1.00 . A A . 7 TRP HB3 1 1 14 5782 1 1 7 TRP HD1 H -5.348 0.008 1.401 1.00 . A A . 7 TRP HD1 1 1 14 5783 1 1 7 TRP HE1 H -4.056 -1.504 -0.252 1.00 . A A . 7 TRP HE1 1 1 14 5784 1 1 7 TRP HE3 H -0.568 1.385 2.602 1.00 . A A . 7 TRP HE3 1 1 14 5785 1 1 7 TRP HH2 H 0.906 -1.344 -0.338 1.00 . A A . 7 TRP HH2 1 1 14 5786 1 1 7 TRP HZ2 H -1.380 -2.040 -0.928 1.00 . A A . 7 TRP HZ2 1 1 14 5787 1 1 7 TRP HZ3 H 1.300 0.327 1.399 1.00 . A A . 7 TRP HZ3 1 1 14 5788 1 1 7 TRP N N -5.239 2.989 1.726 1.00 . A A . 7 TRP N 1 1 14 5789 1 1 7 TRP NE1 N -3.625 -0.883 0.381 1.00 . A A . 7 TRP NE1 1 1 14 5790 1 1 7 TRP O O -2.847 3.864 0.704 1.00 . A A . 7 TRP O 1 1 14 5791 1 1 8 ALA C C 0.454 4.050 2.468 1.00 . A A . 8 ALA C 1 1 14 5792 1 1 8 ALA CA C -0.787 4.909 2.260 1.00 . A A . 8 ALA CA 1 1 14 5793 1 1 8 ALA CB C -0.629 6.250 2.959 1.00 . A A . 8 ALA CB 1 1 14 5794 1 1 8 ALA H H -2.089 4.086 3.715 1.00 . A A . 8 ALA H 1 1 14 5795 1 1 8 ALA HA H -0.917 5.090 1.202 1.00 . A A . 8 ALA HA 1 1 14 5796 1 1 8 ALA HB1 H -1.538 6.823 2.846 1.00 . A A . 8 ALA HB1 1 1 14 5797 1 1 8 ALA HB2 H 0.195 6.791 2.519 1.00 . A A . 8 ALA HB2 1 1 14 5798 1 1 8 ALA HB3 H -0.434 6.089 4.009 1.00 . A A . 8 ALA HB3 1 1 14 5799 1 1 8 ALA N N -1.975 4.216 2.750 1.00 . A A . 8 ALA N 1 1 14 5800 1 1 8 ALA O O 0.811 3.721 3.600 1.00 . A A . 8 ALA O 1 1 14 5801 1 1 9 CYS C C 3.455 3.592 2.084 1.00 . A A . 9 CYS C 1 1 14 5802 1 1 9 CYS CA C 2.296 2.853 1.432 1.00 . A A . 9 CYS CA 1 1 14 5803 1 1 9 CYS CB C 2.693 2.398 0.032 1.00 . A A . 9 CYS CB 1 1 14 5804 1 1 9 CYS H H 0.770 3.974 0.498 1.00 . A A . 9 CYS H 1 1 14 5805 1 1 9 CYS HA H 2.060 1.986 2.026 1.00 . A A . 9 CYS HA 1 1 14 5806 1 1 9 CYS HB2 H 1.808 2.085 -0.504 1.00 . A A . 9 CYS HB2 1 1 14 5807 1 1 9 CYS HB3 H 3.149 3.226 -0.491 1.00 . A A . 9 CYS HB3 1 1 14 5808 1 1 9 CYS N N 1.102 3.683 1.371 1.00 . A A . 9 CYS N 1 1 14 5809 1 1 9 CYS O O 3.450 4.819 2.180 1.00 . A A . 9 CYS O 1 1 14 5810 1 1 9 CYS SG S 3.866 1.019 0.010 1.00 . A A . 9 CYS SG 1 1 14 5811 1 1 10 GLN C C 6.888 3.062 2.372 1.00 . A A . 10 GLN C 1 1 14 5812 1 1 10 GLN CA C 5.625 3.412 3.157 1.00 . A A . 10 GLN CA 1 1 14 5813 1 1 10 GLN CB C 5.754 2.919 4.600 1.00 . A A . 10 GLN CB 1 1 14 5814 1 1 10 GLN CD C 3.931 1.406 5.477 1.00 . A A . 10 GLN CD 1 1 14 5815 1 1 10 GLN CG C 4.427 2.832 5.338 1.00 . A A . 10 GLN CG 1 1 14 5816 1 1 10 GLN H H 4.399 1.862 2.414 1.00 . A A . 10 GLN H 1 1 14 5817 1 1 10 GLN HA H 5.501 4.483 3.159 1.00 . A A . 10 GLN HA 1 1 14 5818 1 1 10 GLN HB2 H 6.203 1.937 4.594 1.00 . A A . 10 GLN HB2 1 1 14 5819 1 1 10 GLN HB3 H 6.398 3.596 5.142 1.00 . A A . 10 GLN HB3 1 1 14 5820 1 1 10 GLN HE21 H 2.945 1.553 3.758 1.00 . A A . 10 GLN HE21 1 1 14 5821 1 1 10 GLN HE22 H 2.820 0.032 4.567 1.00 . A A . 10 GLN HE22 1 1 14 5822 1 1 10 GLN HG2 H 4.550 3.252 6.325 1.00 . A A . 10 GLN HG2 1 1 14 5823 1 1 10 GLN HG3 H 3.689 3.403 4.793 1.00 . A A . 10 GLN HG3 1 1 14 5824 1 1 10 GLN N N 4.452 2.832 2.524 1.00 . A A . 10 GLN N 1 1 14 5825 1 1 10 GLN NE2 N 3.153 0.951 4.502 1.00 . A A . 10 GLN NE2 1 1 14 5826 1 1 10 GLN O O 7.961 2.887 2.949 1.00 . A A . 10 GLN O 1 1 14 5827 1 1 10 GLN OE1 O 4.244 0.720 6.451 1.00 . A A . 10 GLN OE1 1 1 14 5828 1 1 11 HIS C C 7.830 3.543 -1.050 1.00 . A A . 11 HIS C 1 1 14 5829 1 1 11 HIS CA C 7.878 2.654 0.182 1.00 . A A . 11 HIS CA 1 1 14 5830 1 1 11 HIS CB C 7.842 1.181 -0.227 1.00 . A A . 11 HIS CB 1 1 14 5831 1 1 11 HIS CD2 C 10.257 0.251 -0.159 1.00 . A A . 11 HIS CD2 1 1 14 5832 1 1 11 HIS CE1 C 10.617 0.119 -2.318 1.00 . A A . 11 HIS CE1 1 1 14 5833 1 1 11 HIS CG C 9.136 0.684 -0.782 1.00 . A A . 11 HIS CG 1 1 14 5834 1 1 11 HIS H H 5.870 3.131 0.644 1.00 . A A . 11 HIS H 1 1 14 5835 1 1 11 HIS HA H 8.788 2.854 0.726 1.00 . A A . 11 HIS HA 1 1 14 5836 1 1 11 HIS HB2 H 7.598 0.580 0.637 1.00 . A A . 11 HIS HB2 1 1 14 5837 1 1 11 HIS HB3 H 7.083 1.042 -0.982 1.00 . A A . 11 HIS HB3 1 1 14 5838 1 1 11 HIS HD1 H 8.773 0.829 -2.852 1.00 . A A . 11 HIS HD1 1 1 14 5839 1 1 11 HIS HD2 H 10.414 0.188 0.908 1.00 . A A . 11 HIS HD2 1 1 14 5840 1 1 11 HIS HE1 H 11.087 -0.059 -3.273 1.00 . A A . 11 HIS HE1 1 1 14 5841 1 1 11 HIS HE2 H 12.087 -0.357 -0.985 1.00 . A A . 11 HIS HE2 1 1 14 5842 1 1 11 HIS N N 6.752 2.971 1.051 1.00 . A A . 11 HIS N 1 1 14 5843 1 1 11 HIS ND1 N 9.389 0.591 -2.135 1.00 . A A . 11 HIS ND1 1 1 14 5844 1 1 11 HIS NE2 N 11.156 -0.091 -1.137 1.00 . A A . 11 HIS NE2 1 1 14 5845 1 1 11 HIS O O 8.749 4.321 -1.307 1.00 . A A . 11 HIS O 1 1 14 5846 1 1 12 CYS C C 5.945 5.594 -2.567 1.00 . A A . 12 CYS C 1 1 14 5847 1 1 12 CYS CA C 6.534 4.249 -2.970 1.00 . A A . 12 CYS CA 1 1 14 5848 1 1 12 CYS CB C 5.602 3.535 -3.939 1.00 . A A . 12 CYS CB 1 1 14 5849 1 1 12 CYS H H 6.030 2.822 -1.522 1.00 . A A . 12 CYS H 1 1 14 5850 1 1 12 CYS HA H 7.492 4.406 -3.441 1.00 . A A . 12 CYS HA 1 1 14 5851 1 1 12 CYS HB2 H 5.326 4.221 -4.704 1.00 . A A . 12 CYS HB2 1 1 14 5852 1 1 12 CYS HB3 H 6.121 2.696 -4.381 1.00 . A A . 12 CYS HB3 1 1 14 5853 1 1 12 CYS N N 6.734 3.441 -1.789 1.00 . A A . 12 CYS N 1 1 14 5854 1 1 12 CYS O O 6.240 6.621 -3.171 1.00 . A A . 12 CYS O 1 1 14 5855 1 1 12 CYS SG S 4.075 2.915 -3.202 1.00 . A A . 12 CYS SG 1 1 14 5856 1 1 13 THR C C 3.228 7.139 -1.782 1.00 . A A . 13 THR C 1 1 14 5857 1 1 13 THR CA C 4.463 6.749 -0.973 1.00 . A A . 13 THR CA 1 1 14 5858 1 1 13 THR CB C 5.455 7.922 -0.859 1.00 . A A . 13 THR CB 1 1 14 5859 1 1 13 THR CG2 C 5.500 8.843 -2.066 1.00 . A A . 13 THR CG2 1 1 14 5860 1 1 13 THR H H 4.943 4.688 -1.098 1.00 . A A . 13 THR H 1 1 14 5861 1 1 13 THR HA H 4.134 6.489 0.022 1.00 . A A . 13 THR HA 1 1 14 5862 1 1 13 THR HB H 6.445 7.516 -0.718 1.00 . A A . 13 THR HB 1 1 14 5863 1 1 13 THR HG1 H 5.957 8.961 0.723 1.00 . A A . 13 THR HG1 1 1 14 5864 1 1 13 THR HG21 H 6.528 9.027 -2.340 1.00 . A A . 13 THR HG21 1 1 14 5865 1 1 13 THR HG22 H 5.020 9.780 -1.821 1.00 . A A . 13 THR HG22 1 1 14 5866 1 1 13 THR HG23 H 4.984 8.382 -2.895 1.00 . A A . 13 THR HG23 1 1 14 5867 1 1 13 THR N N 5.117 5.557 -1.522 1.00 . A A . 13 THR N 1 1 14 5868 1 1 13 THR O O 2.942 8.321 -1.976 1.00 . A A . 13 THR O 1 1 14 5869 1 1 13 THR OG1 O 5.146 8.721 0.268 1.00 . A A . 13 THR OG1 1 1 14 5870 1 1 14 PHE C C 0.072 5.794 -2.273 1.00 . A A . 14 PHE C 1 1 14 5871 1 1 14 PHE CA C 1.276 6.370 -2.999 1.00 . A A . 14 PHE CA 1 1 14 5872 1 1 14 PHE CB C 1.398 5.740 -4.385 1.00 . A A . 14 PHE CB 1 1 14 5873 1 1 14 PHE CD1 C -0.102 7.295 -5.661 1.00 . A A . 14 PHE CD1 1 1 14 5874 1 1 14 PHE CD2 C -0.567 4.957 -5.736 1.00 . A A . 14 PHE CD2 1 1 14 5875 1 1 14 PHE CE1 C -1.186 7.540 -6.484 1.00 . A A . 14 PHE CE1 1 1 14 5876 1 1 14 PHE CE2 C -1.652 5.195 -6.558 1.00 . A A . 14 PHE CE2 1 1 14 5877 1 1 14 PHE CG C 0.219 6.003 -5.278 1.00 . A A . 14 PHE CG 1 1 14 5878 1 1 14 PHE CZ C -1.961 6.488 -6.933 1.00 . A A . 14 PHE CZ 1 1 14 5879 1 1 14 PHE H H 2.753 5.218 -2.035 1.00 . A A . 14 PHE H 1 1 14 5880 1 1 14 PHE HA H 1.146 7.434 -3.106 1.00 . A A . 14 PHE HA 1 1 14 5881 1 1 14 PHE HB2 H 2.271 6.134 -4.870 1.00 . A A . 14 PHE HB2 1 1 14 5882 1 1 14 PHE HB3 H 1.503 4.671 -4.278 1.00 . A A . 14 PHE HB3 1 1 14 5883 1 1 14 PHE HD1 H 0.504 8.118 -5.310 1.00 . A A . 14 PHE HD1 1 1 14 5884 1 1 14 PHE HD2 H -0.326 3.946 -5.443 1.00 . A A . 14 PHE HD2 1 1 14 5885 1 1 14 PHE HE1 H -1.426 8.552 -6.775 1.00 . A A . 14 PHE HE1 1 1 14 5886 1 1 14 PHE HE2 H -2.256 4.372 -6.908 1.00 . A A . 14 PHE HE2 1 1 14 5887 1 1 14 PHE HZ H -2.808 6.678 -7.575 1.00 . A A . 14 PHE HZ 1 1 14 5888 1 1 14 PHE N N 2.486 6.137 -2.233 1.00 . A A . 14 PHE N 1 1 14 5889 1 1 14 PHE O O 0.211 4.992 -1.350 1.00 . A A . 14 PHE O 1 1 14 5890 1 1 15 MET C C -2.758 4.419 -2.754 1.00 . A A . 15 MET C 1 1 14 5891 1 1 15 MET CA C -2.345 5.725 -2.108 1.00 . A A . 15 MET CA 1 1 14 5892 1 1 15 MET CB C -3.456 6.767 -2.255 1.00 . A A . 15 MET CB 1 1 14 5893 1 1 15 MET CE C -6.821 7.779 -1.983 1.00 . A A . 15 MET CE 1 1 14 5894 1 1 15 MET CG C -4.384 6.840 -1.053 1.00 . A A . 15 MET CG 1 1 14 5895 1 1 15 MET H H -1.142 6.835 -3.447 1.00 . A A . 15 MET H 1 1 14 5896 1 1 15 MET HA H -2.162 5.540 -1.058 1.00 . A A . 15 MET HA 1 1 14 5897 1 1 15 MET HB2 H -3.005 7.738 -2.395 1.00 . A A . 15 MET HB2 1 1 14 5898 1 1 15 MET HB3 H -4.047 6.525 -3.125 1.00 . A A . 15 MET HB3 1 1 14 5899 1 1 15 MET HE1 H -6.948 6.716 -1.849 1.00 . A A . 15 MET HE1 1 1 14 5900 1 1 15 MET HE2 H -6.668 7.994 -3.031 1.00 . A A . 15 MET HE2 1 1 14 5901 1 1 15 MET HE3 H -7.702 8.295 -1.634 1.00 . A A . 15 MET HE3 1 1 14 5902 1 1 15 MET HG2 H -5.036 5.980 -1.067 1.00 . A A . 15 MET HG2 1 1 14 5903 1 1 15 MET HG3 H -3.787 6.823 -0.153 1.00 . A A . 15 MET HG3 1 1 14 5904 1 1 15 MET N N -1.107 6.203 -2.704 1.00 . A A . 15 MET N 1 1 14 5905 1 1 15 MET O O -2.453 4.163 -3.919 1.00 . A A . 15 MET O 1 1 14 5906 1 1 15 MET SD S -5.396 8.332 -1.048 1.00 . A A . 15 MET SD 1 1 14 5907 1 1 16 ASN C C -5.229 1.906 -1.982 1.00 . A A . 16 ASN C 1 1 14 5908 1 1 16 ASN CA C -3.827 2.276 -2.466 1.00 . A A . 16 ASN CA 1 1 14 5909 1 1 16 ASN CB C -2.815 1.250 -1.986 1.00 . A A . 16 ASN CB 1 1 14 5910 1 1 16 ASN CG C -2.603 0.129 -2.976 1.00 . A A . 16 ASN CG 1 1 14 5911 1 1 16 ASN H H -3.605 3.822 -1.050 1.00 . A A . 16 ASN H 1 1 14 5912 1 1 16 ASN HA H -3.820 2.301 -3.545 1.00 . A A . 16 ASN HA 1 1 14 5913 1 1 16 ASN HB2 H -1.867 1.743 -1.826 1.00 . A A . 16 ASN HB2 1 1 14 5914 1 1 16 ASN HB3 H -3.157 0.839 -1.057 1.00 . A A . 16 ASN HB3 1 1 14 5915 1 1 16 ASN HD21 H -1.258 1.223 -3.952 1.00 . A A . 16 ASN HD21 1 1 14 5916 1 1 16 ASN HD22 H -1.563 -0.349 -4.600 1.00 . A A . 16 ASN HD22 1 1 14 5917 1 1 16 ASN N N -3.417 3.575 -1.980 1.00 . A A . 16 ASN N 1 1 14 5918 1 1 16 ASN ND2 N -1.718 0.356 -3.940 1.00 . A A . 16 ASN ND2 1 1 14 5919 1 1 16 ASN O O -5.633 2.276 -0.883 1.00 . A A . 16 ASN O 1 1 14 5920 1 1 16 ASN OD1 O -3.222 -0.924 -2.876 1.00 . A A . 16 ASN OD1 1 1 14 5921 1 1 17 GLN C C -7.317 -0.207 -1.277 1.00 . A A . 17 GLN C 1 1 14 5922 1 1 17 GLN CA C -7.316 0.747 -2.474 1.00 . A A . 17 GLN CA 1 1 14 5923 1 1 17 GLN CB C -7.970 0.082 -3.679 1.00 . A A . 17 GLN CB 1 1 14 5924 1 1 17 GLN CD C -10.072 1.450 -4.005 1.00 . A A . 17 GLN CD 1 1 14 5925 1 1 17 GLN CG C -8.726 1.050 -4.575 1.00 . A A . 17 GLN CG 1 1 14 5926 1 1 17 GLN H H -5.581 0.902 -3.676 1.00 . A A . 17 GLN H 1 1 14 5927 1 1 17 GLN HA H -7.878 1.623 -2.222 1.00 . A A . 17 GLN HA 1 1 14 5928 1 1 17 GLN HB2 H -7.200 -0.381 -4.262 1.00 . A A . 17 GLN HB2 1 1 14 5929 1 1 17 GLN HB3 H -8.658 -0.675 -3.335 1.00 . A A . 17 GLN HB3 1 1 14 5930 1 1 17 GLN HE21 H -9.392 3.276 -3.615 1.00 . A A . 17 GLN HE21 1 1 14 5931 1 1 17 GLN HE22 H -11.037 2.980 -3.181 1.00 . A A . 17 GLN HE22 1 1 14 5932 1 1 17 GLN HG2 H -8.130 1.941 -4.705 1.00 . A A . 17 GLN HG2 1 1 14 5933 1 1 17 GLN HG3 H -8.884 0.582 -5.536 1.00 . A A . 17 GLN HG3 1 1 14 5934 1 1 17 GLN N N -5.960 1.168 -2.813 1.00 . A A . 17 GLN N 1 1 14 5935 1 1 17 GLN NE2 N -10.178 2.695 -3.555 1.00 . A A . 17 GLN NE2 1 1 14 5936 1 1 17 GLN O O -6.272 -0.727 -0.889 1.00 . A A . 17 GLN O 1 1 14 5937 1 1 17 GLN OE1 O -11.008 0.650 -3.970 1.00 . A A . 17 GLN OE1 1 1 14 5938 1 1 18 PRO C C -8.552 -2.808 0.134 1.00 . A A . 18 PRO C 1 1 14 5939 1 1 18 PRO CA C -8.626 -1.326 0.495 1.00 . A A . 18 PRO CA 1 1 14 5940 1 1 18 PRO CB C -10.012 -0.984 1.039 1.00 . A A . 18 PRO CB 1 1 14 5941 1 1 18 PRO CD C -9.792 0.149 -1.060 1.00 . A A . 18 PRO CD 1 1 14 5942 1 1 18 PRO CG C -10.782 -0.530 -0.151 1.00 . A A . 18 PRO CG 1 1 14 5943 1 1 18 PRO HA H -7.880 -1.104 1.244 1.00 . A A . 18 PRO HA 1 1 14 5944 1 1 18 PRO HB2 H -10.454 -1.864 1.485 1.00 . A A . 18 PRO HB2 1 1 14 5945 1 1 18 PRO HB3 H -9.932 -0.202 1.777 1.00 . A A . 18 PRO HB3 1 1 14 5946 1 1 18 PRO HD2 H -10.018 -0.072 -2.091 1.00 . A A . 18 PRO HD2 1 1 14 5947 1 1 18 PRO HD3 H -9.796 1.215 -0.891 1.00 . A A . 18 PRO HD3 1 1 14 5948 1 1 18 PRO HG2 H -11.224 -1.382 -0.649 1.00 . A A . 18 PRO HG2 1 1 14 5949 1 1 18 PRO HG3 H -11.550 0.167 0.153 1.00 . A A . 18 PRO HG3 1 1 14 5950 1 1 18 PRO N N -8.497 -0.440 -0.668 1.00 . A A . 18 PRO N 1 1 14 5951 1 1 18 PRO O O -8.578 -3.669 1.014 1.00 . A A . 18 PRO O 1 1 14 5952 1 1 19 GLY C C -6.998 -4.863 -2.085 1.00 . A A . 19 GLY C 1 1 14 5953 1 1 19 GLY CA C -8.382 -4.488 -1.593 1.00 . A A . 19 GLY CA 1 1 14 5954 1 1 19 GLY H H -8.439 -2.384 -1.821 1.00 . A A . 19 GLY H 1 1 14 5955 1 1 19 GLY HA2 H -8.644 -5.131 -0.766 1.00 . A A . 19 GLY HA2 1 1 14 5956 1 1 19 GLY HA3 H -9.090 -4.642 -2.394 1.00 . A A . 19 GLY HA3 1 1 14 5957 1 1 19 GLY N N -8.459 -3.105 -1.158 1.00 . A A . 19 GLY N 1 1 14 5958 1 1 19 GLY O O -6.657 -6.043 -2.167 1.00 . A A . 19 GLY O 1 1 14 5959 1 1 20 THR C C -3.834 -3.975 -1.774 1.00 . A A . 20 THR C 1 1 14 5960 1 1 20 THR CA C -4.847 -4.070 -2.904 1.00 . A A . 20 THR CA 1 1 14 5961 1 1 20 THR CB C -4.509 -3.044 -3.979 1.00 . A A . 20 THR CB 1 1 14 5962 1 1 20 THR CG2 C -4.787 -3.533 -5.376 1.00 . A A . 20 THR CG2 1 1 14 5963 1 1 20 THR H H -6.533 -2.936 -2.328 1.00 . A A . 20 THR H 1 1 14 5964 1 1 20 THR HA H -4.796 -5.058 -3.335 1.00 . A A . 20 THR HA 1 1 14 5965 1 1 20 THR HB H -3.458 -2.806 -3.916 1.00 . A A . 20 THR HB 1 1 14 5966 1 1 20 THR HG1 H -6.171 -2.008 -4.017 1.00 . A A . 20 THR HG1 1 1 14 5967 1 1 20 THR HG21 H -4.314 -4.492 -5.519 1.00 . A A . 20 THR HG21 1 1 14 5968 1 1 20 THR HG22 H -4.394 -2.824 -6.088 1.00 . A A . 20 THR HG22 1 1 14 5969 1 1 20 THR HG23 H -5.853 -3.632 -5.514 1.00 . A A . 20 THR HG23 1 1 14 5970 1 1 20 THR N N -6.202 -3.854 -2.415 1.00 . A A . 20 THR N 1 1 14 5971 1 1 20 THR O O -3.006 -3.068 -1.752 1.00 . A A . 20 THR O 1 1 14 5972 1 1 20 THR OG1 O -5.253 -1.853 -3.788 1.00 . A A . 20 THR OG1 1 1 14 5973 1 1 21 GLY C C -1.522 -4.769 -0.223 1.00 . A A . 21 GLY C 1 1 14 5974 1 1 21 GLY CA C -2.949 -4.904 0.261 1.00 . A A . 21 GLY CA 1 1 14 5975 1 1 21 GLY H H -4.563 -5.627 -0.906 1.00 . A A . 21 GLY H 1 1 14 5976 1 1 21 GLY HA2 H -3.180 -4.072 0.911 1.00 . A A . 21 GLY HA2 1 1 14 5977 1 1 21 GLY HA3 H -3.042 -5.819 0.816 1.00 . A A . 21 GLY HA3 1 1 14 5978 1 1 21 GLY N N -3.889 -4.917 -0.842 1.00 . A A . 21 GLY N 1 1 14 5979 1 1 21 GLY O O -0.676 -4.193 0.458 1.00 . A A . 21 GLY O 1 1 14 5980 1 1 22 HIS C C 0.349 -3.755 -2.411 1.00 . A A . 22 HIS C 1 1 14 5981 1 1 22 HIS CA C 0.068 -5.199 -1.999 1.00 . A A . 22 HIS CA 1 1 14 5982 1 1 22 HIS CB C 0.202 -6.157 -3.188 1.00 . A A . 22 HIS CB 1 1 14 5983 1 1 22 HIS CD2 C 1.288 -8.508 -3.047 1.00 . A A . 22 HIS CD2 1 1 14 5984 1 1 22 HIS CE1 C -0.245 -9.498 -1.832 1.00 . A A . 22 HIS CE1 1 1 14 5985 1 1 22 HIS CG C 0.323 -7.594 -2.786 1.00 . A A . 22 HIS CG 1 1 14 5986 1 1 22 HIS H H -1.979 -5.717 -1.926 1.00 . A A . 22 HIS H 1 1 14 5987 1 1 22 HIS HA H 0.773 -5.482 -1.233 1.00 . A A . 22 HIS HA 1 1 14 5988 1 1 22 HIS HB2 H -0.670 -6.061 -3.818 1.00 . A A . 22 HIS HB2 1 1 14 5989 1 1 22 HIS HB3 H 1.082 -5.895 -3.756 1.00 . A A . 22 HIS HB3 1 1 14 5990 1 1 22 HIS HD1 H -1.449 -7.850 -1.674 1.00 . A A . 22 HIS HD1 1 1 14 5991 1 1 22 HIS HD2 H 2.187 -8.344 -3.623 1.00 . A A . 22 HIS HD2 1 1 14 5992 1 1 22 HIS HE1 H -0.790 -10.244 -1.272 1.00 . A A . 22 HIS HE1 1 1 14 5993 1 1 22 HIS HE2 H 1.455 -10.495 -2.389 1.00 . A A . 22 HIS HE2 1 1 14 5994 1 1 22 HIS N N -1.260 -5.285 -1.419 1.00 . A A . 22 HIS N 1 1 14 5995 1 1 22 HIS ND1 N -0.623 -8.247 -2.023 1.00 . A A . 22 HIS ND1 1 1 14 5996 1 1 22 HIS NE2 N 0.910 -9.682 -2.443 1.00 . A A . 22 HIS NE2 1 1 14 5997 1 1 22 HIS O O 0.492 -2.893 -1.554 1.00 . A A . 22 HIS O 1 1 14 5998 1 1 23 CYS C C 0.830 -2.083 -5.696 1.00 . A A . 23 CYS C 1 1 14 5999 1 1 23 CYS CA C 0.650 -2.123 -4.185 1.00 . A A . 23 CYS CA 1 1 14 6000 1 1 23 CYS CB C 1.876 -1.517 -3.510 1.00 . A A . 23 CYS CB 1 1 14 6001 1 1 23 CYS H H 0.285 -4.190 -4.362 1.00 . A A . 23 CYS H 1 1 14 6002 1 1 23 CYS HA H -0.214 -1.532 -3.926 1.00 . A A . 23 CYS HA 1 1 14 6003 1 1 23 CYS HB2 H 2.209 -2.168 -2.722 1.00 . A A . 23 CYS HB2 1 1 14 6004 1 1 23 CYS HB3 H 2.661 -1.418 -4.234 1.00 . A A . 23 CYS HB3 1 1 14 6005 1 1 23 CYS N N 0.412 -3.479 -3.711 1.00 . A A . 23 CYS N 1 1 14 6006 1 1 23 CYS O O 1.349 -3.022 -6.300 1.00 . A A . 23 CYS O 1 1 14 6007 1 1 23 CYS SG S 1.578 0.117 -2.794 1.00 . A A . 23 CYS SG 1 1 14 6008 1 1 24 GLU C C 1.715 0.140 -8.032 1.00 . A A . 24 GLU C 1 1 14 6009 1 1 24 GLU CA C 0.542 -0.786 -7.730 1.00 . A A . 24 GLU CA 1 1 14 6010 1 1 24 GLU CB C -0.752 -0.207 -8.309 1.00 . A A . 24 GLU CB 1 1 14 6011 1 1 24 GLU CD C -1.302 -1.058 -10.624 1.00 . A A . 24 GLU CD 1 1 14 6012 1 1 24 GLU CG C -1.547 -1.205 -9.135 1.00 . A A . 24 GLU CG 1 1 14 6013 1 1 24 GLU H H 0.024 -0.258 -5.752 1.00 . A A . 24 GLU H 1 1 14 6014 1 1 24 GLU HA H 0.731 -1.750 -8.178 1.00 . A A . 24 GLU HA 1 1 14 6015 1 1 24 GLU HB2 H -1.375 0.133 -7.497 1.00 . A A . 24 GLU HB2 1 1 14 6016 1 1 24 GLU HB3 H -0.507 0.635 -8.941 1.00 . A A . 24 GLU HB3 1 1 14 6017 1 1 24 GLU HG2 H -1.266 -2.204 -8.836 1.00 . A A . 24 GLU HG2 1 1 14 6018 1 1 24 GLU HG3 H -2.599 -1.055 -8.940 1.00 . A A . 24 GLU HG3 1 1 14 6019 1 1 24 GLU N N 0.414 -0.974 -6.294 1.00 . A A . 24 GLU N 1 1 14 6020 1 1 24 GLU O O 1.740 0.816 -9.061 1.00 . A A . 24 GLU O 1 1 14 6021 1 1 24 GLU OE1 O -2.023 -0.268 -11.269 1.00 . A A . 24 GLU OE1 1 1 14 6022 1 1 24 GLU OE2 O -0.390 -1.733 -11.144 1.00 . A A . 24 GLU OE2 1 1 14 6023 1 1 25 MET C C 5.121 0.194 -6.983 1.00 . A A . 25 MET C 1 1 14 6024 1 1 25 MET CA C 3.867 0.999 -7.286 1.00 . A A . 25 MET CA 1 1 14 6025 1 1 25 MET CB C 3.788 2.219 -6.367 1.00 . A A . 25 MET CB 1 1 14 6026 1 1 25 MET CE C 1.516 3.784 -9.204 1.00 . A A . 25 MET CE 1 1 14 6027 1 1 25 MET CG C 3.222 3.456 -7.046 1.00 . A A . 25 MET CG 1 1 14 6028 1 1 25 MET H H 2.618 -0.401 -6.323 1.00 . A A . 25 MET H 1 1 14 6029 1 1 25 MET HA H 3.902 1.330 -8.313 1.00 . A A . 25 MET HA 1 1 14 6030 1 1 25 MET HB2 H 3.158 1.978 -5.523 1.00 . A A . 25 MET HB2 1 1 14 6031 1 1 25 MET HB3 H 4.780 2.452 -6.011 1.00 . A A . 25 MET HB3 1 1 14 6032 1 1 25 MET HE1 H 0.563 4.221 -9.467 1.00 . A A . 25 MET HE1 1 1 14 6033 1 1 25 MET HE2 H 1.703 2.926 -9.833 1.00 . A A . 25 MET HE2 1 1 14 6034 1 1 25 MET HE3 H 2.298 4.514 -9.347 1.00 . A A . 25 MET HE3 1 1 14 6035 1 1 25 MET HG2 H 3.320 4.295 -6.374 1.00 . A A . 25 MET HG2 1 1 14 6036 1 1 25 MET HG3 H 3.790 3.647 -7.945 1.00 . A A . 25 MET HG3 1 1 14 6037 1 1 25 MET N N 2.690 0.163 -7.124 1.00 . A A . 25 MET N 1 1 14 6038 1 1 25 MET O O 5.976 0.014 -7.851 1.00 . A A . 25 MET O 1 1 14 6039 1 1 25 MET SD S 1.484 3.272 -7.488 1.00 . A A . 25 MET SD 1 1 14 6040 1 1 26 CYS C C 6.182 -2.556 -5.738 1.00 . A A . 26 CYS C 1 1 14 6041 1 1 26 CYS CA C 6.372 -1.089 -5.359 1.00 . A A . 26 CYS CA 1 1 14 6042 1 1 26 CYS CB C 6.609 -0.966 -3.858 1.00 . A A . 26 CYS CB 1 1 14 6043 1 1 26 CYS H H 4.515 -0.133 -5.095 1.00 . A A . 26 CYS H 1 1 14 6044 1 1 26 CYS HA H 7.233 -0.704 -5.883 1.00 . A A . 26 CYS HA 1 1 14 6045 1 1 26 CYS HB2 H 7.271 -1.744 -3.560 1.00 . A A . 26 CYS HB2 1 1 14 6046 1 1 26 CYS HB3 H 7.063 -0.008 -3.647 1.00 . A A . 26 CYS HB3 1 1 14 6047 1 1 26 CYS N N 5.225 -0.300 -5.753 1.00 . A A . 26 CYS N 1 1 14 6048 1 1 26 CYS O O 7.073 -3.169 -6.326 1.00 . A A . 26 CYS O 1 1 14 6049 1 1 26 CYS SG S 5.126 -1.111 -2.837 1.00 . A A . 26 CYS SG 1 1 14 6050 1 1 27 SER C C 5.007 -5.340 -4.404 1.00 . A A . 27 SER C 1 1 14 6051 1 1 27 SER CA C 4.695 -4.518 -5.639 1.00 . A A . 27 SER CA 1 1 14 6052 1 1 27 SER CB C 5.457 -5.066 -6.845 1.00 . A A . 27 SER CB 1 1 14 6053 1 1 27 SER H H 4.371 -2.570 -4.880 1.00 . A A . 27 SER H 1 1 14 6054 1 1 27 SER HA H 3.637 -4.578 -5.836 1.00 . A A . 27 SER HA 1 1 14 6055 1 1 27 SER HB2 H 5.476 -4.317 -7.621 1.00 . A A . 27 SER HB2 1 1 14 6056 1 1 27 SER HB3 H 6.466 -5.304 -6.547 1.00 . A A . 27 SER HB3 1 1 14 6057 1 1 27 SER HG H 4.946 -6.265 -8.306 1.00 . A A . 27 SER HG 1 1 14 6058 1 1 27 SER N N 5.022 -3.115 -5.372 1.00 . A A . 27 SER N 1 1 14 6059 1 1 27 SER O O 5.477 -6.474 -4.484 1.00 . A A . 27 SER O 1 1 14 6060 1 1 27 SER OG O 4.840 -6.235 -7.353 1.00 . A A . 27 SER OG 1 1 14 6061 1 1 28 LEU C C 3.710 -5.475 -1.194 1.00 . A A . 28 LEU C 1 1 14 6062 1 1 28 LEU CA C 5.010 -5.330 -1.975 1.00 . A A . 28 LEU CA 1 1 14 6063 1 1 28 LEU CB C 5.987 -4.446 -1.215 1.00 . A A . 28 LEU CB 1 1 14 6064 1 1 28 LEU CD1 C 8.339 -3.816 -0.637 1.00 . A A . 28 LEU CD1 1 1 14 6065 1 1 28 LEU CD2 C 7.686 -6.227 -0.708 1.00 . A A . 28 LEU CD2 1 1 14 6066 1 1 28 LEU CG C 7.459 -4.853 -1.315 1.00 . A A . 28 LEU CG 1 1 14 6067 1 1 28 LEU H H 4.398 -3.817 -3.280 1.00 . A A . 28 LEU H 1 1 14 6068 1 1 28 LEU HA H 5.447 -6.303 -2.129 1.00 . A A . 28 LEU HA 1 1 14 6069 1 1 28 LEU HB2 H 5.891 -3.448 -1.599 1.00 . A A . 28 LEU HB2 1 1 14 6070 1 1 28 LEU HB3 H 5.699 -4.435 -0.190 1.00 . A A . 28 LEU HB3 1 1 14 6071 1 1 28 LEU HD11 H 7.786 -3.338 0.159 1.00 . A A . 28 LEU HD11 1 1 14 6072 1 1 28 LEU HD12 H 8.644 -3.074 -1.361 1.00 . A A . 28 LEU HD12 1 1 14 6073 1 1 28 LEU HD13 H 9.214 -4.300 -0.231 1.00 . A A . 28 LEU HD13 1 1 14 6074 1 1 28 LEU HD21 H 7.638 -6.161 0.369 1.00 . A A . 28 LEU HD21 1 1 14 6075 1 1 28 LEU HD22 H 8.659 -6.589 -1.000 1.00 . A A . 28 LEU HD22 1 1 14 6076 1 1 28 LEU HD23 H 6.927 -6.910 -1.062 1.00 . A A . 28 LEU HD23 1 1 14 6077 1 1 28 LEU HG H 7.731 -4.893 -2.358 1.00 . A A . 28 LEU HG 1 1 14 6078 1 1 28 LEU N N 4.757 -4.725 -3.260 1.00 . A A . 28 LEU N 1 1 14 6079 1 1 28 LEU O O 2.679 -4.951 -1.601 1.00 . A A . 28 LEU O 1 1 14 6080 1 1 29 PRO C C 2.242 -5.193 1.656 1.00 . A A . 29 PRO C 1 1 14 6081 1 1 29 PRO CA C 2.571 -6.403 0.785 1.00 . A A . 29 PRO CA 1 1 14 6082 1 1 29 PRO CB C 2.988 -7.589 1.652 1.00 . A A . 29 PRO CB 1 1 14 6083 1 1 29 PRO CD C 4.950 -6.833 0.489 1.00 . A A . 29 PRO CD 1 1 14 6084 1 1 29 PRO CG C 4.469 -7.467 1.770 1.00 . A A . 29 PRO CG 1 1 14 6085 1 1 29 PRO HA H 1.705 -6.668 0.198 1.00 . A A . 29 PRO HA 1 1 14 6086 1 1 29 PRO HB2 H 2.506 -7.521 2.616 1.00 . A A . 29 PRO HB2 1 1 14 6087 1 1 29 PRO HB3 H 2.706 -8.510 1.165 1.00 . A A . 29 PRO HB3 1 1 14 6088 1 1 29 PRO HD2 H 5.713 -6.098 0.693 1.00 . A A . 29 PRO HD2 1 1 14 6089 1 1 29 PRO HD3 H 5.323 -7.582 -0.190 1.00 . A A . 29 PRO HD3 1 1 14 6090 1 1 29 PRO HG2 H 4.719 -6.840 2.613 1.00 . A A . 29 PRO HG2 1 1 14 6091 1 1 29 PRO HG3 H 4.909 -8.446 1.890 1.00 . A A . 29 PRO HG3 1 1 14 6092 1 1 29 PRO N N 3.749 -6.186 -0.060 1.00 . A A . 29 PRO N 1 1 14 6093 1 1 29 PRO O O 3.084 -4.319 1.865 1.00 . A A . 29 PRO O 1 1 14 6094 1 1 30 ARG C C 1.243 -4.118 4.386 1.00 . A A . 30 ARG C 1 1 14 6095 1 1 30 ARG CA C 0.573 -4.059 3.023 1.00 . A A . 30 ARG CA 1 1 14 6096 1 1 30 ARG CB C -0.946 -4.095 3.181 1.00 . A A . 30 ARG CB 1 1 14 6097 1 1 30 ARG CD C -3.123 -2.844 3.080 1.00 . A A . 30 ARG CD 1 1 14 6098 1 1 30 ARG CG C -1.607 -2.735 3.034 1.00 . A A . 30 ARG CG 1 1 14 6099 1 1 30 ARG CZ C -4.882 -2.759 4.803 1.00 . A A . 30 ARG CZ 1 1 14 6100 1 1 30 ARG H H 0.391 -5.884 1.974 1.00 . A A . 30 ARG H 1 1 14 6101 1 1 30 ARG HA H 0.857 -3.141 2.549 1.00 . A A . 30 ARG HA 1 1 14 6102 1 1 30 ARG HB2 H -1.355 -4.756 2.435 1.00 . A A . 30 ARG HB2 1 1 14 6103 1 1 30 ARG HB3 H -1.186 -4.483 4.156 1.00 . A A . 30 ARG HB3 1 1 14 6104 1 1 30 ARG HD2 H -3.540 -2.206 2.315 1.00 . A A . 30 ARG HD2 1 1 14 6105 1 1 30 ARG HD3 H -3.404 -3.868 2.885 1.00 . A A . 30 ARG HD3 1 1 14 6106 1 1 30 ARG HE H -3.084 -1.907 4.961 1.00 . A A . 30 ARG HE 1 1 14 6107 1 1 30 ARG HG2 H -1.278 -2.096 3.840 1.00 . A A . 30 ARG HG2 1 1 14 6108 1 1 30 ARG HG3 H -1.314 -2.305 2.089 1.00 . A A . 30 ARG HG3 1 1 14 6109 1 1 30 ARG HH11 H -5.389 -3.792 3.139 1.00 . A A . 30 ARG HH11 1 1 14 6110 1 1 30 ARG HH12 H -6.609 -3.717 4.366 1.00 . A A . 30 ARG HH12 1 1 14 6111 1 1 30 ARG HH21 H -4.687 -1.809 6.576 1.00 . A A . 30 ARG HH21 1 1 14 6112 1 1 30 ARG HH22 H -6.211 -2.592 6.318 1.00 . A A . 30 ARG HH22 1 1 14 6113 1 1 30 ARG N N 1.014 -5.153 2.167 1.00 . A A . 30 ARG N 1 1 14 6114 1 1 30 ARG NE N -3.662 -2.443 4.377 1.00 . A A . 30 ARG NE 1 1 14 6115 1 1 30 ARG NH1 N -5.692 -3.483 4.040 1.00 . A A . 30 ARG NH1 1 1 14 6116 1 1 30 ARG NH2 N -5.293 -2.354 5.997 1.00 . A A . 30 ARG NH2 1 1 14 6117 1 1 30 ARG O O 1.131 -3.193 5.190 1.00 . A A . 30 ARG O 1 1 14 6118 1 1 31 THR C C 3.908 -6.211 5.701 1.00 . A A . 31 THR C 1 1 14 6119 1 1 31 THR CA C 2.623 -5.409 5.901 1.00 . A A . 31 THR CA 1 1 14 6120 1 1 31 THR CB C 1.697 -6.122 6.888 1.00 . A A . 31 THR CB 1 1 14 6121 1 1 31 THR CG2 C 2.397 -6.606 8.142 1.00 . A A . 31 THR CG2 1 1 14 6122 1 1 31 THR H H 1.979 -5.910 3.955 1.00 . A A . 31 THR H 1 1 14 6123 1 1 31 THR HA H 2.874 -4.435 6.291 1.00 . A A . 31 THR HA 1 1 14 6124 1 1 31 THR HB H 1.263 -6.982 6.396 1.00 . A A . 31 THR HB 1 1 14 6125 1 1 31 THR HG1 H -0.165 -5.773 7.383 1.00 . A A . 31 THR HG1 1 1 14 6126 1 1 31 THR HG21 H 1.684 -7.100 8.785 1.00 . A A . 31 THR HG21 1 1 14 6127 1 1 31 THR HG22 H 2.827 -5.762 8.662 1.00 . A A . 31 THR HG22 1 1 14 6128 1 1 31 THR HG23 H 3.180 -7.299 7.872 1.00 . A A . 31 THR HG23 1 1 14 6129 1 1 31 THR N N 1.936 -5.214 4.636 1.00 . A A . 31 THR N 1 1 14 6130 1 1 31 THR O O 3.941 -7.163 4.922 1.00 . A A . 31 THR O 1 1 14 6131 1 1 31 THR OG1 O 0.643 -5.265 7.291 1.00 . A A . 31 THR OG1 1 1 14 6132 2 2 1 ZN ZN ZN 3.860 0.754 -2.396 1.00 . B A . 32 ZN ZN 1 1 15 6133 1 1 1 GLY C C -13.792 3.349 -6.156 1.00 . A A . 1 GLY C 1 1 15 6134 1 1 1 GLY CA C -12.529 3.751 -6.891 1.00 . A A . 1 GLY CA 1 1 15 6135 1 1 1 GLY H1 H -11.376 5.463 -7.212 1.00 . A A . 1 GLY H1 1 1 15 6136 1 1 1 GLY H2 H -11.586 5.075 -5.579 1.00 . A A . 1 GLY H2 1 1 15 6137 1 1 1 GLY H3 H -12.858 5.767 -6.454 1.00 . A A . 1 GLY H3 1 1 15 6138 1 1 1 GLY HA2 H -12.723 3.736 -7.953 1.00 . A A . 1 GLY HA2 1 1 15 6139 1 1 1 GLY HA3 H -11.752 3.034 -6.668 1.00 . A A . 1 GLY HA3 1 1 15 6140 1 1 1 GLY N N -12.054 5.109 -6.507 1.00 . A A . 1 GLY N 1 1 15 6141 1 1 1 GLY O O -14.587 2.557 -6.662 1.00 . A A . 1 GLY O 1 1 15 6142 1 1 2 SER C C -15.219 2.099 -3.831 1.00 . A A . 2 SER C 1 1 15 6143 1 1 2 SER CA C -15.152 3.588 -4.152 1.00 . A A . 2 SER CA 1 1 15 6144 1 1 2 SER CB C -16.424 4.021 -4.883 1.00 . A A . 2 SER CB 1 1 15 6145 1 1 2 SER H H -13.307 4.519 -4.609 1.00 . A A . 2 SER H 1 1 15 6146 1 1 2 SER HA H -15.073 4.141 -3.227 1.00 . A A . 2 SER HA 1 1 15 6147 1 1 2 SER HB2 H -16.365 3.716 -5.916 1.00 . A A . 2 SER HB2 1 1 15 6148 1 1 2 SER HB3 H -17.280 3.553 -4.418 1.00 . A A . 2 SER HB3 1 1 15 6149 1 1 2 SER HG H -16.410 5.739 -3.941 1.00 . A A . 2 SER HG 1 1 15 6150 1 1 2 SER N N -13.976 3.895 -4.958 1.00 . A A . 2 SER N 1 1 15 6151 1 1 2 SER O O -15.481 1.276 -4.708 1.00 . A A . 2 SER O 1 1 15 6152 1 1 2 SER OG O -16.589 5.428 -4.831 1.00 . A A . 2 SER OG 1 1 15 6153 1 1 3 THR C C -14.784 0.265 -0.627 1.00 . A A . 3 THR C 1 1 15 6154 1 1 3 THR CA C -15.010 0.369 -2.132 1.00 . A A . 3 THR CA 1 1 15 6155 1 1 3 THR CB C -13.951 -0.447 -2.876 1.00 . A A . 3 THR CB 1 1 15 6156 1 1 3 THR CG2 C -12.608 0.246 -2.958 1.00 . A A . 3 THR CG2 1 1 15 6157 1 1 3 THR H H -14.775 2.462 -1.915 1.00 . A A . 3 THR H 1 1 15 6158 1 1 3 THR HA H -15.986 -0.029 -2.364 1.00 . A A . 3 THR HA 1 1 15 6159 1 1 3 THR HB H -14.293 -0.626 -3.885 1.00 . A A . 3 THR HB 1 1 15 6160 1 1 3 THR HG1 H -14.597 -2.134 -2.120 1.00 . A A . 3 THR HG1 1 1 15 6161 1 1 3 THR HG21 H -12.683 1.101 -3.613 1.00 . A A . 3 THR HG21 1 1 15 6162 1 1 3 THR HG22 H -11.871 -0.441 -3.347 1.00 . A A . 3 THR HG22 1 1 15 6163 1 1 3 THR HG23 H -12.311 0.572 -1.973 1.00 . A A . 3 THR HG23 1 1 15 6164 1 1 3 THR N N -14.978 1.760 -2.568 1.00 . A A . 3 THR N 1 1 15 6165 1 1 3 THR O O -15.433 -0.527 0.056 1.00 . A A . 3 THR O 1 1 15 6166 1 1 3 THR OG1 O -13.750 -1.700 -2.247 1.00 . A A . 3 THR OG1 1 1 15 6167 1 1 4 SER C C -12.454 2.095 1.620 1.00 . A A . 4 SER C 1 1 15 6168 1 1 4 SER CA C -13.543 1.073 1.308 1.00 . A A . 4 SER CA 1 1 15 6169 1 1 4 SER CB C -13.101 -0.324 1.757 1.00 . A A . 4 SER CB 1 1 15 6170 1 1 4 SER H H -13.375 1.681 -0.712 1.00 . A A . 4 SER H 1 1 15 6171 1 1 4 SER HA H -14.439 1.346 1.844 1.00 . A A . 4 SER HA 1 1 15 6172 1 1 4 SER HB2 H -13.108 -0.990 0.908 1.00 . A A . 4 SER HB2 1 1 15 6173 1 1 4 SER HB3 H -12.102 -0.271 2.164 1.00 . A A . 4 SER HB3 1 1 15 6174 1 1 4 SER HG H -14.063 -0.201 3.459 1.00 . A A . 4 SER HG 1 1 15 6175 1 1 4 SER N N -13.858 1.072 -0.117 1.00 . A A . 4 SER N 1 1 15 6176 1 1 4 SER O O -12.152 2.964 0.801 1.00 . A A . 4 SER O 1 1 15 6177 1 1 4 SER OG O -13.971 -0.840 2.749 1.00 . A A . 4 SER OG 1 1 15 6178 1 1 5 ALA C C -9.467 2.497 2.630 1.00 . A A . 5 ALA C 1 1 15 6179 1 1 5 ALA CA C -10.810 2.904 3.221 1.00 . A A . 5 ALA CA 1 1 15 6180 1 1 5 ALA CB C -10.721 2.958 4.738 1.00 . A A . 5 ALA CB 1 1 15 6181 1 1 5 ALA H H -12.148 1.275 3.419 1.00 . A A . 5 ALA H 1 1 15 6182 1 1 5 ALA HA H -11.066 3.891 2.863 1.00 . A A . 5 ALA HA 1 1 15 6183 1 1 5 ALA HB1 H -10.503 1.973 5.121 1.00 . A A . 5 ALA HB1 1 1 15 6184 1 1 5 ALA HB2 H -11.660 3.304 5.142 1.00 . A A . 5 ALA HB2 1 1 15 6185 1 1 5 ALA HB3 H -9.932 3.638 5.026 1.00 . A A . 5 ALA HB3 1 1 15 6186 1 1 5 ALA N N -11.866 1.988 2.807 1.00 . A A . 5 ALA N 1 1 15 6187 1 1 5 ALA O O -8.964 1.407 2.898 1.00 . A A . 5 ALA O 1 1 15 6188 1 1 6 MET C C -6.478 3.210 2.225 1.00 . A A . 6 MET C 1 1 15 6189 1 1 6 MET CA C -7.602 3.117 1.203 1.00 . A A . 6 MET CA 1 1 15 6190 1 1 6 MET CB C -7.352 4.115 0.073 1.00 . A A . 6 MET CB 1 1 15 6191 1 1 6 MET CE C -9.059 5.811 -2.860 1.00 . A A . 6 MET CE 1 1 15 6192 1 1 6 MET CG C -8.120 3.799 -1.200 1.00 . A A . 6 MET CG 1 1 15 6193 1 1 6 MET H H -9.334 4.236 1.655 1.00 . A A . 6 MET H 1 1 15 6194 1 1 6 MET HA H -7.626 2.119 0.794 1.00 . A A . 6 MET HA 1 1 15 6195 1 1 6 MET HB2 H -7.640 5.097 0.411 1.00 . A A . 6 MET HB2 1 1 15 6196 1 1 6 MET HB3 H -6.301 4.122 -0.157 1.00 . A A . 6 MET HB3 1 1 15 6197 1 1 6 MET HE1 H -8.063 5.517 -3.156 1.00 . A A . 6 MET HE1 1 1 15 6198 1 1 6 MET HE2 H -9.068 6.862 -2.616 1.00 . A A . 6 MET HE2 1 1 15 6199 1 1 6 MET HE3 H -9.746 5.624 -3.673 1.00 . A A . 6 MET HE3 1 1 15 6200 1 1 6 MET HG2 H -7.459 3.930 -2.044 1.00 . A A . 6 MET HG2 1 1 15 6201 1 1 6 MET HG3 H -8.450 2.771 -1.160 1.00 . A A . 6 MET HG3 1 1 15 6202 1 1 6 MET N N -8.887 3.382 1.828 1.00 . A A . 6 MET N 1 1 15 6203 1 1 6 MET O O -6.714 3.494 3.400 1.00 . A A . 6 MET O 1 1 15 6204 1 1 6 MET SD S -9.560 4.861 -1.427 1.00 . A A . 6 MET SD 1 1 15 6205 1 1 7 TRP C C -2.923 3.751 1.973 1.00 . A A . 7 TRP C 1 1 15 6206 1 1 7 TRP CA C -4.093 3.054 2.650 1.00 . A A . 7 TRP CA 1 1 15 6207 1 1 7 TRP CB C -3.668 1.662 3.130 1.00 . A A . 7 TRP CB 1 1 15 6208 1 1 7 TRP CD1 C -4.307 -0.050 1.318 1.00 . A A . 7 TRP CD1 1 1 15 6209 1 1 7 TRP CD2 C -2.102 0.284 1.538 1.00 . A A . 7 TRP CD2 1 1 15 6210 1 1 7 TRP CE2 C -2.312 -0.674 0.528 1.00 . A A . 7 TRP CE2 1 1 15 6211 1 1 7 TRP CE3 C -0.790 0.656 1.850 1.00 . A A . 7 TRP CE3 1 1 15 6212 1 1 7 TRP CG C -3.390 0.673 2.032 1.00 . A A . 7 TRP CG 1 1 15 6213 1 1 7 TRP CH2 C 0.013 -0.883 0.158 1.00 . A A . 7 TRP CH2 1 1 15 6214 1 1 7 TRP CZ2 C -1.261 -1.265 -0.168 1.00 . A A . 7 TRP CZ2 1 1 15 6215 1 1 7 TRP CZ3 C 0.252 0.069 1.156 1.00 . A A . 7 TRP CZ3 1 1 15 6216 1 1 7 TRP H H -5.128 2.772 0.823 1.00 . A A . 7 TRP H 1 1 15 6217 1 1 7 TRP HA H -4.380 3.639 3.512 1.00 . A A . 7 TRP HA 1 1 15 6218 1 1 7 TRP HB2 H -2.766 1.758 3.716 1.00 . A A . 7 TRP HB2 1 1 15 6219 1 1 7 TRP HB3 H -4.447 1.259 3.755 1.00 . A A . 7 TRP HB3 1 1 15 6220 1 1 7 TRP HD1 H -5.376 0.017 1.457 1.00 . A A . 7 TRP HD1 1 1 15 6221 1 1 7 TRP HE1 H -4.103 -1.478 -0.223 1.00 . A A . 7 TRP HE1 1 1 15 6222 1 1 7 TRP HE3 H -0.585 1.388 2.616 1.00 . A A . 7 TRP HE3 1 1 15 6223 1 1 7 TRP HH2 H 0.861 -1.312 -0.363 1.00 . A A . 7 TRP HH2 1 1 15 6224 1 1 7 TRP HZ2 H -1.431 -2.006 -0.934 1.00 . A A . 7 TRP HZ2 1 1 15 6225 1 1 7 TRP HZ3 H 1.271 0.343 1.383 1.00 . A A . 7 TRP HZ3 1 1 15 6226 1 1 7 TRP N N -5.253 2.982 1.770 1.00 . A A . 7 TRP N 1 1 15 6227 1 1 7 TRP NE1 N -3.664 -0.864 0.410 1.00 . A A . 7 TRP NE1 1 1 15 6228 1 1 7 TRP O O -2.876 3.876 0.749 1.00 . A A . 7 TRP O 1 1 15 6229 1 1 8 ALA C C 0.448 4.019 2.488 1.00 . A A . 8 ALA C 1 1 15 6230 1 1 8 ALA CA C -0.790 4.884 2.291 1.00 . A A . 8 ALA CA 1 1 15 6231 1 1 8 ALA CB C -0.620 6.224 2.991 1.00 . A A . 8 ALA CB 1 1 15 6232 1 1 8 ALA H H -2.080 4.057 3.754 1.00 . A A . 8 ALA H 1 1 15 6233 1 1 8 ALA HA H -0.928 5.069 1.233 1.00 . A A . 8 ALA HA 1 1 15 6234 1 1 8 ALA HB1 H -1.504 6.825 2.837 1.00 . A A . 8 ALA HB1 1 1 15 6235 1 1 8 ALA HB2 H 0.240 6.736 2.585 1.00 . A A . 8 ALA HB2 1 1 15 6236 1 1 8 ALA HB3 H -0.475 6.062 4.049 1.00 . A A . 8 ALA HB3 1 1 15 6237 1 1 8 ALA N N -1.977 4.199 2.788 1.00 . A A . 8 ALA N 1 1 15 6238 1 1 8 ALA O O 0.806 3.679 3.616 1.00 . A A . 8 ALA O 1 1 15 6239 1 1 9 CYS C C 3.444 3.543 2.091 1.00 . A A . 9 CYS C 1 1 15 6240 1 1 9 CYS CA C 2.278 2.818 1.437 1.00 . A A . 9 CYS CA 1 1 15 6241 1 1 9 CYS CB C 2.669 2.371 0.032 1.00 . A A . 9 CYS CB 1 1 15 6242 1 1 9 CYS H H 0.757 3.953 0.517 1.00 . A A . 9 CYS H 1 1 15 6243 1 1 9 CYS HA H 2.040 1.948 2.026 1.00 . A A . 9 CYS HA 1 1 15 6244 1 1 9 CYS HB2 H 1.783 2.050 -0.499 1.00 . A A . 9 CYS HB2 1 1 15 6245 1 1 9 CYS HB3 H 3.113 3.205 -0.492 1.00 . A A . 9 CYS HB3 1 1 15 6246 1 1 9 CYS N N 1.090 3.654 1.386 1.00 . A A . 9 CYS N 1 1 15 6247 1 1 9 CYS O O 3.458 4.770 2.178 1.00 . A A . 9 CYS O 1 1 15 6248 1 1 9 CYS SG S 3.856 1.004 -0.003 1.00 . A A . 9 CYS SG 1 1 15 6249 1 1 10 GLN C C 6.864 2.977 2.384 1.00 . A A . 10 GLN C 1 1 15 6250 1 1 10 GLN CA C 5.607 3.336 3.173 1.00 . A A . 10 GLN CA 1 1 15 6251 1 1 10 GLN CB C 5.730 2.836 4.613 1.00 . A A . 10 GLN CB 1 1 15 6252 1 1 10 GLN CD C 6.669 0.542 4.129 1.00 . A A . 10 GLN CD 1 1 15 6253 1 1 10 GLN CG C 5.539 1.335 4.754 1.00 . A A . 10 GLN CG 1 1 15 6254 1 1 10 GLN H H 4.361 1.800 2.433 1.00 . A A . 10 GLN H 1 1 15 6255 1 1 10 GLN HA H 5.493 4.409 3.179 1.00 . A A . 10 GLN HA 1 1 15 6256 1 1 10 GLN HB2 H 6.710 3.090 4.988 1.00 . A A . 10 GLN HB2 1 1 15 6257 1 1 10 GLN HB3 H 4.984 3.331 5.218 1.00 . A A . 10 GLN HB3 1 1 15 6258 1 1 10 GLN HE21 H 5.568 0.204 2.508 1.00 . A A . 10 GLN HE21 1 1 15 6259 1 1 10 GLN HE22 H 7.156 -0.479 2.494 1.00 . A A . 10 GLN HE22 1 1 15 6260 1 1 10 GLN HG2 H 5.485 1.089 5.805 1.00 . A A . 10 GLN HG2 1 1 15 6261 1 1 10 GLN HG3 H 4.612 1.056 4.273 1.00 . A A . 10 GLN HG3 1 1 15 6262 1 1 10 GLN N N 4.428 2.772 2.538 1.00 . A A . 10 GLN N 1 1 15 6263 1 1 10 GLN NE2 N 6.442 0.038 2.922 1.00 . A A . 10 GLN NE2 1 1 15 6264 1 1 10 GLN O O 7.934 2.777 2.960 1.00 . A A . 10 GLN O 1 1 15 6265 1 1 10 GLN OE1 O 7.736 0.384 4.724 1.00 . A A . 10 GLN OE1 1 1 15 6266 1 1 11 HIS C C 7.816 3.490 -1.029 1.00 . A A . 11 HIS C 1 1 15 6267 1 1 11 HIS CA C 7.849 2.583 0.190 1.00 . A A . 11 HIS CA 1 1 15 6268 1 1 11 HIS CB C 7.789 1.116 -0.241 1.00 . A A . 11 HIS CB 1 1 15 6269 1 1 11 HIS CD2 C 9.830 0.519 -1.723 1.00 . A A . 11 HIS CD2 1 1 15 6270 1 1 11 HIS CE1 C 11.022 -0.531 -0.213 1.00 . A A . 11 HIS CE1 1 1 15 6271 1 1 11 HIS CG C 9.129 0.533 -0.565 1.00 . A A . 11 HIS CG 1 1 15 6272 1 1 11 HIS H H 5.849 3.085 0.658 1.00 . A A . 11 HIS H 1 1 15 6273 1 1 11 HIS HA H 8.763 2.759 0.737 1.00 . A A . 11 HIS HA 1 1 15 6274 1 1 11 HIS HB2 H 7.357 0.531 0.558 1.00 . A A . 11 HIS HB2 1 1 15 6275 1 1 11 HIS HB3 H 7.167 1.031 -1.119 1.00 . A A . 11 HIS HB3 1 1 15 6276 1 1 11 HIS HD1 H 9.664 -0.289 1.298 1.00 . A A . 11 HIS HD1 1 1 15 6277 1 1 11 HIS HD2 H 9.527 0.950 -2.664 1.00 . A A . 11 HIS HD2 1 1 15 6278 1 1 11 HIS HE1 H 11.823 -1.079 0.271 1.00 . A A . 11 HIS HE1 1 1 15 6279 1 1 11 HIS HE2 H 11.672 -0.393 -2.151 1.00 . A A . 11 HIS HE2 1 1 15 6280 1 1 11 HIS N N 6.728 2.906 1.063 1.00 . A A . 11 HIS N 1 1 15 6281 1 1 11 HIS ND1 N 9.900 -0.132 0.359 1.00 . A A . 11 HIS ND1 1 1 15 6282 1 1 11 HIS NE2 N 11.004 -0.149 -1.477 1.00 . A A . 11 HIS NE2 1 1 15 6283 1 1 11 HIS O O 8.743 4.262 -1.271 1.00 . A A . 11 HIS O 1 1 15 6284 1 1 12 CYS C C 5.952 5.581 -2.521 1.00 . A A . 12 CYS C 1 1 15 6285 1 1 12 CYS CA C 6.534 4.239 -2.942 1.00 . A A . 12 CYS CA 1 1 15 6286 1 1 12 CYS CB C 5.603 3.547 -3.930 1.00 . A A . 12 CYS CB 1 1 15 6287 1 1 12 CYS H H 6.009 2.795 -1.518 1.00 . A A . 12 CYS H 1 1 15 6288 1 1 12 CYS HA H 7.497 4.397 -3.405 1.00 . A A . 12 CYS HA 1 1 15 6289 1 1 12 CYS HB2 H 5.329 4.251 -4.679 1.00 . A A . 12 CYS HB2 1 1 15 6290 1 1 12 CYS HB3 H 6.122 2.720 -4.389 1.00 . A A . 12 CYS HB3 1 1 15 6291 1 1 12 CYS N N 6.721 3.411 -1.774 1.00 . A A . 12 CYS N 1 1 15 6292 1 1 12 CYS O O 6.257 6.617 -3.109 1.00 . A A . 12 CYS O 1 1 15 6293 1 1 12 CYS SG S 4.075 2.911 -3.209 1.00 . A A . 12 CYS SG 1 1 15 6294 1 1 13 THR C C 3.237 7.130 -1.720 1.00 . A A . 13 THR C 1 1 15 6295 1 1 13 THR CA C 4.470 6.722 -0.917 1.00 . A A . 13 THR CA 1 1 15 6296 1 1 13 THR CB C 5.468 7.889 -0.787 1.00 . A A . 13 THR CB 1 1 15 6297 1 1 13 THR CG2 C 5.515 8.828 -1.981 1.00 . A A . 13 THR CG2 1 1 15 6298 1 1 13 THR H H 4.937 4.661 -1.070 1.00 . A A . 13 THR H 1 1 15 6299 1 1 13 THR HA H 4.140 6.452 0.076 1.00 . A A . 13 THR HA 1 1 15 6300 1 1 13 THR HB H 6.456 7.478 -0.652 1.00 . A A . 13 THR HB 1 1 15 6301 1 1 13 THR HG1 H 5.865 9.314 0.496 1.00 . A A . 13 THR HG1 1 1 15 6302 1 1 13 THR HG21 H 6.544 9.012 -2.252 1.00 . A A . 13 THR HG21 1 1 15 6303 1 1 13 THR HG22 H 5.039 9.762 -1.723 1.00 . A A . 13 THR HG22 1 1 15 6304 1 1 13 THR HG23 H 4.998 8.379 -2.816 1.00 . A A . 13 THR HG23 1 1 15 6305 1 1 13 THR N N 5.119 5.535 -1.481 1.00 . A A . 13 THR N 1 1 15 6306 1 1 13 THR O O 2.954 8.317 -1.891 1.00 . A A . 13 THR O 1 1 15 6307 1 1 13 THR OG1 O 5.163 8.675 0.351 1.00 . A A . 13 THR OG1 1 1 15 6308 1 1 14 PHE C C 0.084 5.777 -2.251 1.00 . A A . 14 PHE C 1 1 15 6309 1 1 14 PHE CA C 1.286 6.384 -2.954 1.00 . A A . 14 PHE CA 1 1 15 6310 1 1 14 PHE CB C 1.421 5.799 -4.358 1.00 . A A . 14 PHE CB 1 1 15 6311 1 1 14 PHE CD1 C -0.087 7.376 -5.596 1.00 . A A . 14 PHE CD1 1 1 15 6312 1 1 14 PHE CD2 C -0.527 5.037 -5.743 1.00 . A A . 14 PHE CD2 1 1 15 6313 1 1 14 PHE CE1 C -1.167 7.634 -6.418 1.00 . A A . 14 PHE CE1 1 1 15 6314 1 1 14 PHE CE2 C -1.609 5.289 -6.565 1.00 . A A . 14 PHE CE2 1 1 15 6315 1 1 14 PHE CG C 0.246 6.076 -5.250 1.00 . A A . 14 PHE CG 1 1 15 6316 1 1 14 PHE CZ C -1.929 6.589 -6.903 1.00 . A A . 14 PHE CZ 1 1 15 6317 1 1 14 PHE H H 2.760 5.215 -2.009 1.00 . A A . 14 PHE H 1 1 15 6318 1 1 14 PHE HA H 1.149 7.451 -3.029 1.00 . A A . 14 PHE HA 1 1 15 6319 1 1 14 PHE HB2 H 2.294 6.216 -4.824 1.00 . A A . 14 PHE HB2 1 1 15 6320 1 1 14 PHE HB3 H 1.537 4.728 -4.281 1.00 . A A . 14 PHE HB3 1 1 15 6321 1 1 14 PHE HD1 H 0.509 8.193 -5.217 1.00 . A A . 14 PHE HD1 1 1 15 6322 1 1 14 PHE HD2 H -0.277 4.019 -5.480 1.00 . A A . 14 PHE HD2 1 1 15 6323 1 1 14 PHE HE1 H -1.416 8.651 -6.681 1.00 . A A . 14 PHE HE1 1 1 15 6324 1 1 14 PHE HE2 H -2.203 4.470 -6.943 1.00 . A A . 14 PHE HE2 1 1 15 6325 1 1 14 PHE HZ H -2.774 6.789 -7.546 1.00 . A A . 14 PHE HZ 1 1 15 6326 1 1 14 PHE N N 2.495 6.138 -2.189 1.00 . A A . 14 PHE N 1 1 15 6327 1 1 14 PHE O O 0.226 4.953 -1.348 1.00 . A A . 14 PHE O 1 1 15 6328 1 1 15 MET C C -2.721 4.376 -2.782 1.00 . A A . 15 MET C 1 1 15 6329 1 1 15 MET CA C -2.334 5.673 -2.102 1.00 . A A . 15 MET CA 1 1 15 6330 1 1 15 MET CB C -3.459 6.701 -2.233 1.00 . A A . 15 MET CB 1 1 15 6331 1 1 15 MET CE C -6.794 8.129 -1.424 1.00 . A A . 15 MET CE 1 1 15 6332 1 1 15 MET CG C -4.491 6.617 -1.121 1.00 . A A . 15 MET CG 1 1 15 6333 1 1 15 MET H H -1.138 6.833 -3.406 1.00 . A A . 15 MET H 1 1 15 6334 1 1 15 MET HA H -2.155 5.465 -1.055 1.00 . A A . 15 MET HA 1 1 15 6335 1 1 15 MET HB2 H -3.029 7.692 -2.221 1.00 . A A . 15 MET HB2 1 1 15 6336 1 1 15 MET HB3 H -3.962 6.548 -3.176 1.00 . A A . 15 MET HB3 1 1 15 6337 1 1 15 MET HE1 H -7.518 8.592 -0.771 1.00 . A A . 15 MET HE1 1 1 15 6338 1 1 15 MET HE2 H -7.058 7.092 -1.577 1.00 . A A . 15 MET HE2 1 1 15 6339 1 1 15 MET HE3 H -6.787 8.642 -2.375 1.00 . A A . 15 MET HE3 1 1 15 6340 1 1 15 MET HG2 H -5.301 5.980 -1.448 1.00 . A A . 15 MET HG2 1 1 15 6341 1 1 15 MET HG3 H -4.026 6.186 -0.248 1.00 . A A . 15 MET HG3 1 1 15 6342 1 1 15 MET N N -1.098 6.183 -2.679 1.00 . A A . 15 MET N 1 1 15 6343 1 1 15 MET O O -2.374 4.138 -3.938 1.00 . A A . 15 MET O 1 1 15 6344 1 1 15 MET SD S -5.169 8.229 -0.680 1.00 . A A . 15 MET SD 1 1 15 6345 1 1 16 ASN C C -5.211 1.848 -2.139 1.00 . A A . 16 ASN C 1 1 15 6346 1 1 16 ASN CA C -3.795 2.229 -2.566 1.00 . A A . 16 ASN CA 1 1 15 6347 1 1 16 ASN CB C -2.796 1.199 -2.063 1.00 . A A . 16 ASN CB 1 1 15 6348 1 1 16 ASN CG C -2.529 0.103 -3.069 1.00 . A A . 16 ASN CG 1 1 15 6349 1 1 16 ASN H H -3.626 3.752 -1.118 1.00 . A A . 16 ASN H 1 1 15 6350 1 1 16 ASN HA H -3.748 2.270 -3.642 1.00 . A A . 16 ASN HA 1 1 15 6351 1 1 16 ASN HB2 H -1.861 1.694 -1.848 1.00 . A A . 16 ASN HB2 1 1 15 6352 1 1 16 ASN HB3 H -3.177 0.763 -1.161 1.00 . A A . 16 ASN HB3 1 1 15 6353 1 1 16 ASN HD21 H -1.263 1.287 -4.043 1.00 . A A . 16 ASN HD21 1 1 15 6354 1 1 16 ASN HD22 H -1.480 -0.293 -4.708 1.00 . A A . 16 ASN HD22 1 1 15 6355 1 1 16 ASN N N -3.406 3.520 -2.044 1.00 . A A . 16 ASN N 1 1 15 6356 1 1 16 ASN ND2 N -1.670 0.394 -4.037 1.00 . A A . 16 ASN ND2 1 1 15 6357 1 1 16 ASN O O -5.702 2.299 -1.108 1.00 . A A . 16 ASN O 1 1 15 6358 1 1 16 ASN OD1 O -3.080 -0.989 -2.976 1.00 . A A . 16 ASN OD1 1 1 15 6359 1 1 17 GLN C C -7.259 -0.296 -1.390 1.00 . A A . 17 GLN C 1 1 15 6360 1 1 17 GLN CA C -7.220 0.563 -2.654 1.00 . A A . 17 GLN CA 1 1 15 6361 1 1 17 GLN CB C -7.805 -0.221 -3.830 1.00 . A A . 17 GLN CB 1 1 15 6362 1 1 17 GLN CD C -7.080 1.591 -5.442 1.00 . A A . 17 GLN CD 1 1 15 6363 1 1 17 GLN CG C -7.182 0.100 -5.183 1.00 . A A . 17 GLN CG 1 1 15 6364 1 1 17 GLN H H -5.411 0.683 -3.748 1.00 . A A . 17 GLN H 1 1 15 6365 1 1 17 GLN HA H -7.825 1.433 -2.493 1.00 . A A . 17 GLN HA 1 1 15 6366 1 1 17 GLN HB2 H -7.670 -1.266 -3.637 1.00 . A A . 17 GLN HB2 1 1 15 6367 1 1 17 GLN HB3 H -8.860 -0.013 -3.892 1.00 . A A . 17 GLN HB3 1 1 15 6368 1 1 17 GLN HE21 H -8.949 1.851 -4.820 1.00 . A A . 17 GLN HE21 1 1 15 6369 1 1 17 GLN HE22 H -8.121 3.279 -5.326 1.00 . A A . 17 GLN HE22 1 1 15 6370 1 1 17 GLN HG2 H -6.189 -0.325 -5.219 1.00 . A A . 17 GLN HG2 1 1 15 6371 1 1 17 GLN HG3 H -7.789 -0.344 -5.958 1.00 . A A . 17 GLN HG3 1 1 15 6372 1 1 17 GLN N N -5.860 1.010 -2.943 1.00 . A A . 17 GLN N 1 1 15 6373 1 1 17 GLN NE2 N -8.159 2.314 -5.169 1.00 . A A . 17 GLN NE2 1 1 15 6374 1 1 17 GLN O O -6.235 -0.825 -0.957 1.00 . A A . 17 GLN O 1 1 15 6375 1 1 17 GLN OE1 O -6.043 2.086 -5.883 1.00 . A A . 17 GLN OE1 1 1 15 6376 1 1 18 PRO C C -8.516 -2.742 0.200 1.00 . A A . 18 PRO C 1 1 15 6377 1 1 18 PRO CA C -8.621 -1.237 0.445 1.00 . A A . 18 PRO CA 1 1 15 6378 1 1 18 PRO CB C -10.035 -0.875 0.903 1.00 . A A . 18 PRO CB 1 1 15 6379 1 1 18 PRO CD C -9.720 0.160 -1.227 1.00 . A A . 18 PRO CD 1 1 15 6380 1 1 18 PRO CG C -10.749 -0.491 -0.345 1.00 . A A . 18 PRO CG 1 1 15 6381 1 1 18 PRO HA H -7.911 -0.949 1.205 1.00 . A A . 18 PRO HA 1 1 15 6382 1 1 18 PRO HB2 H -10.495 -1.732 1.375 1.00 . A A . 18 PRO HB2 1 1 15 6383 1 1 18 PRO HB3 H -9.992 -0.053 1.601 1.00 . A A . 18 PRO HB3 1 1 15 6384 1 1 18 PRO HD2 H -9.911 -0.074 -2.264 1.00 . A A . 18 PRO HD2 1 1 15 6385 1 1 18 PRO HD3 H -9.714 1.229 -1.076 1.00 . A A . 18 PRO HD3 1 1 15 6386 1 1 18 PRO HG2 H -11.152 -1.371 -0.823 1.00 . A A . 18 PRO HG2 1 1 15 6387 1 1 18 PRO HG3 H -11.540 0.208 -0.115 1.00 . A A . 18 PRO HG3 1 1 15 6388 1 1 18 PRO N N -8.450 -0.443 -0.779 1.00 . A A . 18 PRO N 1 1 15 6389 1 1 18 PRO O O -8.488 -3.529 1.146 1.00 . A A . 18 PRO O 1 1 15 6390 1 1 19 GLY C C -6.980 -4.910 -1.938 1.00 . A A . 19 GLY C 1 1 15 6391 1 1 19 GLY CA C -8.348 -4.546 -1.399 1.00 . A A . 19 GLY CA 1 1 15 6392 1 1 19 GLY H H -8.475 -2.468 -1.785 1.00 . A A . 19 GLY H 1 1 15 6393 1 1 19 GLY HA2 H -8.542 -5.130 -0.511 1.00 . A A . 19 GLY HA2 1 1 15 6394 1 1 19 GLY HA3 H -9.092 -4.787 -2.145 1.00 . A A . 19 GLY HA3 1 1 15 6395 1 1 19 GLY N N -8.454 -3.136 -1.068 1.00 . A A . 19 GLY N 1 1 15 6396 1 1 19 GLY O O -6.620 -6.085 -2.006 1.00 . A A . 19 GLY O 1 1 15 6397 1 1 20 THR C C -3.830 -3.992 -1.762 1.00 . A A . 20 THR C 1 1 15 6398 1 1 20 THR CA C -4.878 -4.094 -2.859 1.00 . A A . 20 THR CA 1 1 15 6399 1 1 20 THR CB C -4.592 -3.055 -3.936 1.00 . A A . 20 THR CB 1 1 15 6400 1 1 20 THR CG2 C -5.050 -3.477 -5.307 1.00 . A A . 20 THR CG2 1 1 15 6401 1 1 20 THR H H -6.561 -2.980 -2.242 1.00 . A A . 20 THR H 1 1 15 6402 1 1 20 THR HA H -4.829 -5.079 -3.299 1.00 . A A . 20 THR HA 1 1 15 6403 1 1 20 THR HB H -3.527 -2.885 -3.980 1.00 . A A . 20 THR HB 1 1 15 6404 1 1 20 THR HG1 H -4.762 -1.111 -4.062 1.00 . A A . 20 THR HG1 1 1 15 6405 1 1 20 THR HG21 H -6.084 -3.199 -5.439 1.00 . A A . 20 THR HG21 1 1 15 6406 1 1 20 THR HG22 H -4.948 -4.547 -5.406 1.00 . A A . 20 THR HG22 1 1 15 6407 1 1 20 THR HG23 H -4.446 -2.985 -6.054 1.00 . A A . 20 THR HG23 1 1 15 6408 1 1 20 THR N N -6.215 -3.894 -2.322 1.00 . A A . 20 THR N 1 1 15 6409 1 1 20 THR O O -2.959 -3.126 -1.809 1.00 . A A . 20 THR O 1 1 15 6410 1 1 20 THR OG1 O -5.231 -1.829 -3.632 1.00 . A A . 20 THR OG1 1 1 15 6411 1 1 21 GLY C C -1.528 -4.731 -0.198 1.00 . A A . 21 GLY C 1 1 15 6412 1 1 21 GLY CA C -2.949 -4.863 0.307 1.00 . A A . 21 GLY CA 1 1 15 6413 1 1 21 GLY H H -4.622 -5.555 -0.792 1.00 . A A . 21 GLY H 1 1 15 6414 1 1 21 GLY HA2 H -3.168 -4.028 0.956 1.00 . A A . 21 GLY HA2 1 1 15 6415 1 1 21 GLY HA3 H -3.034 -5.774 0.868 1.00 . A A . 21 GLY HA3 1 1 15 6416 1 1 21 GLY N N -3.911 -4.881 -0.779 1.00 . A A . 21 GLY N 1 1 15 6417 1 1 21 GLY O O -0.675 -4.145 0.467 1.00 . A A . 21 GLY O 1 1 15 6418 1 1 22 HIS C C 0.318 -3.734 -2.406 1.00 . A A . 22 HIS C 1 1 15 6419 1 1 22 HIS CA C 0.045 -5.177 -1.985 1.00 . A A . 22 HIS CA 1 1 15 6420 1 1 22 HIS CB C 0.166 -6.141 -3.170 1.00 . A A . 22 HIS CB 1 1 15 6421 1 1 22 HIS CD2 C 1.289 -8.473 -3.021 1.00 . A A . 22 HIS CD2 1 1 15 6422 1 1 22 HIS CE1 C -0.229 -9.482 -1.801 1.00 . A A . 22 HIS CE1 1 1 15 6423 1 1 22 HIS CG C 0.310 -7.574 -2.764 1.00 . A A . 22 HIS CG 1 1 15 6424 1 1 22 HIS H H -2.001 -5.700 -1.885 1.00 . A A . 22 HIS H 1 1 15 6425 1 1 22 HIS HA H 0.758 -5.456 -1.225 1.00 . A A . 22 HIS HA 1 1 15 6426 1 1 22 HIS HB2 H -0.717 -6.057 -3.784 1.00 . A A . 22 HIS HB2 1 1 15 6427 1 1 22 HIS HB3 H 1.034 -5.872 -3.756 1.00 . A A . 22 HIS HB3 1 1 15 6428 1 1 22 HIS HD1 H -1.457 -7.852 -1.649 1.00 . A A . 22 HIS HD1 1 1 15 6429 1 1 22 HIS HD2 H 2.185 -8.297 -3.599 1.00 . A A . 22 HIS HD2 1 1 15 6430 1 1 22 HIS HE1 H -0.761 -10.234 -1.238 1.00 . A A . 22 HIS HE1 1 1 15 6431 1 1 22 HIS HE2 H 1.403 -10.504 -2.501 1.00 . A A . 22 HIS HE2 1 1 15 6432 1 1 22 HIS N N -1.278 -5.261 -1.391 1.00 . A A . 22 HIS N 1 1 15 6433 1 1 22 HIS ND1 N -0.626 -8.238 -1.998 1.00 . A A . 22 HIS ND1 1 1 15 6434 1 1 22 HIS NE2 N 0.930 -9.651 -2.412 1.00 . A A . 22 HIS NE2 1 1 15 6435 1 1 22 HIS O O 0.461 -2.867 -1.554 1.00 . A A . 22 HIS O 1 1 15 6436 1 1 23 CYS C C 0.758 -2.070 -5.701 1.00 . A A . 23 CYS C 1 1 15 6437 1 1 23 CYS CA C 0.607 -2.108 -4.187 1.00 . A A . 23 CYS CA 1 1 15 6438 1 1 23 CYS CB C 1.844 -1.501 -3.531 1.00 . A A . 23 CYS CB 1 1 15 6439 1 1 23 CYS H H 0.249 -4.178 -4.355 1.00 . A A . 23 CYS H 1 1 15 6440 1 1 23 CYS HA H -0.253 -1.517 -3.914 1.00 . A A . 23 CYS HA 1 1 15 6441 1 1 23 CYS HB2 H 2.190 -2.153 -2.749 1.00 . A A . 23 CYS HB2 1 1 15 6442 1 1 23 CYS HB3 H 2.618 -1.403 -4.268 1.00 . A A . 23 CYS HB3 1 1 15 6443 1 1 23 CYS N N 0.375 -3.464 -3.708 1.00 . A A . 23 CYS N 1 1 15 6444 1 1 23 CYS O O 1.163 -3.051 -6.324 1.00 . A A . 23 CYS O 1 1 15 6445 1 1 23 CYS SG S 1.559 0.133 -2.813 1.00 . A A . 23 CYS SG 1 1 15 6446 1 1 24 GLU C C 1.741 0.175 -8.037 1.00 . A A . 24 GLU C 1 1 15 6447 1 1 24 GLU CA C 0.555 -0.727 -7.719 1.00 . A A . 24 GLU CA 1 1 15 6448 1 1 24 GLU CB C -0.733 -0.121 -8.278 1.00 . A A . 24 GLU CB 1 1 15 6449 1 1 24 GLU CD C -2.190 0.156 -10.323 1.00 . A A . 24 GLU CD 1 1 15 6450 1 1 24 GLU CG C -1.130 -0.681 -9.634 1.00 . A A . 24 GLU CG 1 1 15 6451 1 1 24 GLU H H 0.140 -0.173 -5.725 1.00 . A A . 24 GLU H 1 1 15 6452 1 1 24 GLU HA H 0.718 -1.694 -8.172 1.00 . A A . 24 GLU HA 1 1 15 6453 1 1 24 GLU HB2 H -1.538 -0.313 -7.584 1.00 . A A . 24 GLU HB2 1 1 15 6454 1 1 24 GLU HB3 H -0.603 0.947 -8.377 1.00 . A A . 24 GLU HB3 1 1 15 6455 1 1 24 GLU HG2 H -0.254 -0.715 -10.265 1.00 . A A . 24 GLU HG2 1 1 15 6456 1 1 24 GLU HG3 H -1.513 -1.681 -9.498 1.00 . A A . 24 GLU HG3 1 1 15 6457 1 1 24 GLU N N 0.443 -0.919 -6.281 1.00 . A A . 24 GLU N 1 1 15 6458 1 1 24 GLU O O 1.782 0.818 -9.086 1.00 . A A . 24 GLU O 1 1 15 6459 1 1 24 GLU OE1 O -3.321 0.231 -9.799 1.00 . A A . 24 GLU OE1 1 1 15 6460 1 1 24 GLU OE2 O -1.889 0.737 -11.387 1.00 . A A . 24 GLU OE2 1 1 15 6461 1 1 25 MET C C 5.139 0.211 -6.993 1.00 . A A . 25 MET C 1 1 15 6462 1 1 25 MET CA C 3.896 1.032 -7.299 1.00 . A A . 25 MET CA 1 1 15 6463 1 1 25 MET CB C 3.839 2.264 -6.394 1.00 . A A . 25 MET CB 1 1 15 6464 1 1 25 MET CE C 1.811 4.089 -9.329 1.00 . A A . 25 MET CE 1 1 15 6465 1 1 25 MET CG C 3.364 3.520 -7.106 1.00 . A A . 25 MET CG 1 1 15 6466 1 1 25 MET H H 2.621 -0.323 -6.306 1.00 . A A . 25 MET H 1 1 15 6467 1 1 25 MET HA H 3.931 1.350 -8.330 1.00 . A A . 25 MET HA 1 1 15 6468 1 1 25 MET HB2 H 3.166 2.063 -5.574 1.00 . A A . 25 MET HB2 1 1 15 6469 1 1 25 MET HB3 H 4.827 2.453 -6.000 1.00 . A A . 25 MET HB3 1 1 15 6470 1 1 25 MET HE1 H 2.855 4.225 -9.570 1.00 . A A . 25 MET HE1 1 1 15 6471 1 1 25 MET HE2 H 1.308 5.044 -9.358 1.00 . A A . 25 MET HE2 1 1 15 6472 1 1 25 MET HE3 H 1.359 3.423 -10.049 1.00 . A A . 25 MET HE3 1 1 15 6473 1 1 25 MET HG2 H 3.429 4.352 -6.421 1.00 . A A . 25 MET HG2 1 1 15 6474 1 1 25 MET HG3 H 4.007 3.703 -7.954 1.00 . A A . 25 MET HG3 1 1 15 6475 1 1 25 MET N N 2.708 0.215 -7.122 1.00 . A A . 25 MET N 1 1 15 6476 1 1 25 MET O O 5.999 0.029 -7.854 1.00 . A A . 25 MET O 1 1 15 6477 1 1 25 MET SD S 1.662 3.386 -7.689 1.00 . A A . 25 MET SD 1 1 15 6478 1 1 26 CYS C C 6.156 -2.561 -5.758 1.00 . A A . 26 CYS C 1 1 15 6479 1 1 26 CYS CA C 6.362 -1.099 -5.369 1.00 . A A . 26 CYS CA 1 1 15 6480 1 1 26 CYS CB C 6.589 -0.987 -3.865 1.00 . A A . 26 CYS CB 1 1 15 6481 1 1 26 CYS H H 4.513 -0.124 -5.112 1.00 . A A . 26 CYS H 1 1 15 6482 1 1 26 CYS HA H 7.232 -0.721 -5.884 1.00 . A A . 26 CYS HA 1 1 15 6483 1 1 26 CYS HB2 H 7.244 -1.771 -3.566 1.00 . A A . 26 CYS HB2 1 1 15 6484 1 1 26 CYS HB3 H 7.048 -0.034 -3.645 1.00 . A A . 26 CYS HB3 1 1 15 6485 1 1 26 CYS N N 5.227 -0.293 -5.765 1.00 . A A . 26 CYS N 1 1 15 6486 1 1 26 CYS O O 7.048 -3.184 -6.335 1.00 . A A . 26 CYS O 1 1 15 6487 1 1 26 CYS SG S 5.097 -1.125 -2.856 1.00 . A A . 26 CYS SG 1 1 15 6488 1 1 27 SER C C 4.959 -5.338 -4.467 1.00 . A A . 27 SER C 1 1 15 6489 1 1 27 SER CA C 4.642 -4.504 -5.691 1.00 . A A . 27 SER CA 1 1 15 6490 1 1 27 SER CB C 5.391 -5.044 -6.909 1.00 . A A . 27 SER CB 1 1 15 6491 1 1 27 SER H H 4.332 -2.555 -4.928 1.00 . A A . 27 SER H 1 1 15 6492 1 1 27 SER HA H 3.582 -4.553 -5.880 1.00 . A A . 27 SER HA 1 1 15 6493 1 1 27 SER HB2 H 5.411 -4.287 -7.677 1.00 . A A . 27 SER HB2 1 1 15 6494 1 1 27 SER HB3 H 6.399 -5.297 -6.621 1.00 . A A . 27 SER HB3 1 1 15 6495 1 1 27 SER HG H 4.099 -5.943 -8.075 1.00 . A A . 27 SER HG 1 1 15 6496 1 1 27 SER N N 4.984 -3.105 -5.413 1.00 . A A . 27 SER N 1 1 15 6497 1 1 27 SER O O 5.416 -6.477 -4.560 1.00 . A A . 27 SER O 1 1 15 6498 1 1 27 SER OG O 4.758 -6.201 -7.427 1.00 . A A . 27 SER OG 1 1 15 6499 1 1 28 LEU C C 3.698 -5.450 -1.232 1.00 . A A . 28 LEU C 1 1 15 6500 1 1 28 LEU CA C 4.986 -5.341 -2.038 1.00 . A A . 28 LEU CA 1 1 15 6501 1 1 28 LEU CB C 6.002 -4.483 -1.299 1.00 . A A . 28 LEU CB 1 1 15 6502 1 1 28 LEU CD1 C 8.375 -3.923 -0.755 1.00 . A A . 28 LEU CD1 1 1 15 6503 1 1 28 LEU CD2 C 7.656 -6.316 -0.831 1.00 . A A . 28 LEU CD2 1 1 15 6504 1 1 28 LEU CG C 7.459 -4.931 -1.424 1.00 . A A . 28 LEU CG 1 1 15 6505 1 1 28 LEU H H 4.379 -3.815 -3.327 1.00 . A A . 28 LEU H 1 1 15 6506 1 1 28 LEU HA H 5.396 -6.324 -2.200 1.00 . A A . 28 LEU HA 1 1 15 6507 1 1 28 LEU HB2 H 5.928 -3.482 -1.687 1.00 . A A . 28 LEU HB2 1 1 15 6508 1 1 28 LEU HB3 H 5.732 -4.458 -0.270 1.00 . A A . 28 LEU HB3 1 1 15 6509 1 1 28 LEU HD11 H 7.881 -3.498 0.107 1.00 . A A . 28 LEU HD11 1 1 15 6510 1 1 28 LEU HD12 H 8.626 -3.139 -1.453 1.00 . A A . 28 LEU HD12 1 1 15 6511 1 1 28 LEU HD13 H 9.281 -4.422 -0.440 1.00 . A A . 28 LEU HD13 1 1 15 6512 1 1 28 LEU HD21 H 7.650 -6.253 0.247 1.00 . A A . 28 LEU HD21 1 1 15 6513 1 1 28 LEU HD22 H 8.610 -6.714 -1.158 1.00 . A A . 28 LEU HD22 1 1 15 6514 1 1 28 LEU HD23 H 6.864 -6.969 -1.160 1.00 . A A . 28 LEU HD23 1 1 15 6515 1 1 28 LEU HG H 7.712 -4.971 -2.474 1.00 . A A . 28 LEU HG 1 1 15 6516 1 1 28 LEU N N 4.726 -4.727 -3.316 1.00 . A A . 28 LEU N 1 1 15 6517 1 1 28 LEU O O 2.670 -4.914 -1.631 1.00 . A A . 28 LEU O 1 1 15 6518 1 1 29 PRO C C 2.260 -5.064 1.595 1.00 . A A . 29 PRO C 1 1 15 6519 1 1 29 PRO CA C 2.577 -6.316 0.782 1.00 . A A . 29 PRO CA 1 1 15 6520 1 1 29 PRO CB C 2.998 -7.462 1.700 1.00 . A A . 29 PRO CB 1 1 15 6521 1 1 29 PRO CD C 4.944 -6.796 0.459 1.00 . A A . 29 PRO CD 1 1 15 6522 1 1 29 PRO CG C 4.483 -7.358 1.780 1.00 . A A . 29 PRO CG 1 1 15 6523 1 1 29 PRO HA H 1.704 -6.606 0.216 1.00 . A A . 29 PRO HA 1 1 15 6524 1 1 29 PRO HB2 H 2.539 -7.336 2.670 1.00 . A A . 29 PRO HB2 1 1 15 6525 1 1 29 PRO HB3 H 2.691 -8.403 1.270 1.00 . A A . 29 PRO HB3 1 1 15 6526 1 1 29 PRO HD2 H 5.732 -6.077 0.611 1.00 . A A . 29 PRO HD2 1 1 15 6527 1 1 29 PRO HD3 H 5.276 -7.586 -0.196 1.00 . A A . 29 PRO HD3 1 1 15 6528 1 1 29 PRO HG2 H 4.760 -6.695 2.585 1.00 . A A . 29 PRO HG2 1 1 15 6529 1 1 29 PRO HG3 H 4.909 -8.338 1.937 1.00 . A A . 29 PRO HG3 1 1 15 6530 1 1 29 PRO N N 3.744 -6.139 -0.083 1.00 . A A . 29 PRO N 1 1 15 6531 1 1 29 PRO O O 3.090 -4.163 1.716 1.00 . A A . 29 PRO O 1 1 15 6532 1 1 30 ARG C C 1.348 -3.846 4.298 1.00 . A A . 30 ARG C 1 1 15 6533 1 1 30 ARG CA C 0.624 -3.881 2.960 1.00 . A A . 30 ARG CA 1 1 15 6534 1 1 30 ARG CB C -0.886 -3.940 3.178 1.00 . A A . 30 ARG CB 1 1 15 6535 1 1 30 ARG CD C -2.587 -2.298 4.033 1.00 . A A . 30 ARG CD 1 1 15 6536 1 1 30 ARG CG C -1.592 -2.617 2.928 1.00 . A A . 30 ARG CG 1 1 15 6537 1 1 30 ARG CZ C -2.552 -2.117 6.490 1.00 . A A . 30 ARG CZ 1 1 15 6538 1 1 30 ARG H H 0.437 -5.767 2.031 1.00 . A A . 30 ARG H 1 1 15 6539 1 1 30 ARG HA H 0.869 -2.988 2.422 1.00 . A A . 30 ARG HA 1 1 15 6540 1 1 30 ARG HB2 H -1.301 -4.679 2.510 1.00 . A A . 30 ARG HB2 1 1 15 6541 1 1 30 ARG HB3 H -1.079 -4.243 4.193 1.00 . A A . 30 ARG HB3 1 1 15 6542 1 1 30 ARG HD2 H -3.137 -1.409 3.757 1.00 . A A . 30 ARG HD2 1 1 15 6543 1 1 30 ARG HD3 H -3.272 -3.127 4.133 1.00 . A A . 30 ARG HD3 1 1 15 6544 1 1 30 ARG HE H -0.969 -1.867 5.302 1.00 . A A . 30 ARG HE 1 1 15 6545 1 1 30 ARG HG2 H -0.855 -1.829 2.883 1.00 . A A . 30 ARG HG2 1 1 15 6546 1 1 30 ARG HG3 H -2.119 -2.675 1.987 1.00 . A A . 30 ARG HG3 1 1 15 6547 1 1 30 ARG HH11 H -4.365 -2.556 5.708 1.00 . A A . 30 ARG HH11 1 1 15 6548 1 1 30 ARG HH12 H -4.314 -2.423 7.433 1.00 . A A . 30 ARG HH12 1 1 15 6549 1 1 30 ARG HH21 H -0.898 -1.694 7.571 1.00 . A A . 30 ARG HH21 1 1 15 6550 1 1 30 ARG HH22 H -2.346 -1.934 8.492 1.00 . A A . 30 ARG HH22 1 1 15 6551 1 1 30 ARG N N 1.054 -5.017 2.155 1.00 . A A . 30 ARG N 1 1 15 6552 1 1 30 ARG NE N -1.927 -2.068 5.316 1.00 . A A . 30 ARG NE 1 1 15 6553 1 1 30 ARG NH1 N -3.850 -2.387 6.548 1.00 . A A . 30 ARG NH1 1 1 15 6554 1 1 30 ARG NH2 N -1.877 -1.898 7.610 1.00 . A A . 30 ARG NH2 1 1 15 6555 1 1 30 ARG O O 1.230 -2.884 5.058 1.00 . A A . 30 ARG O 1 1 15 6556 1 1 31 THR C C 4.135 -5.769 5.617 1.00 . A A . 31 THR C 1 1 15 6557 1 1 31 THR CA C 2.830 -5.004 5.825 1.00 . A A . 31 THR CA 1 1 15 6558 1 1 31 THR CB C 1.968 -5.695 6.883 1.00 . A A . 31 THR CB 1 1 15 6559 1 1 31 THR CG2 C 2.729 -6.078 8.136 1.00 . A A . 31 THR CG2 1 1 15 6560 1 1 31 THR H H 2.133 -5.632 3.935 1.00 . A A . 31 THR H 1 1 15 6561 1 1 31 THR HA H 3.058 -4.002 6.153 1.00 . A A . 31 THR HA 1 1 15 6562 1 1 31 THR HB H 1.553 -6.598 6.456 1.00 . A A . 31 THR HB 1 1 15 6563 1 1 31 THR HG1 H 1.238 -4.094 7.744 1.00 . A A . 31 THR HG1 1 1 15 6564 1 1 31 THR HG21 H 3.451 -5.309 8.368 1.00 . A A . 31 THR HG21 1 1 15 6565 1 1 31 THR HG22 H 3.242 -7.015 7.973 1.00 . A A . 31 THR HG22 1 1 15 6566 1 1 31 THR HG23 H 2.039 -6.185 8.960 1.00 . A A . 31 THR HG23 1 1 15 6567 1 1 31 THR N N 2.089 -4.902 4.579 1.00 . A A . 31 THR N 1 1 15 6568 1 1 31 THR O O 4.131 -6.988 5.446 1.00 . A A . 31 THR O 1 1 15 6569 1 1 31 THR OG1 O 0.893 -4.859 7.276 1.00 . A A . 31 THR OG1 1 1 15 6570 2 2 1 ZN ZN ZN 3.847 0.752 -2.410 1.00 . B A . 32 ZN ZN 1 1 16 6571 1 1 1 GLY C C -19.720 -0.934 -0.314 1.00 . A A . 1 GLY C 1 1 16 6572 1 1 1 GLY CA C -20.953 -0.520 0.464 1.00 . A A . 1 GLY CA 1 1 16 6573 1 1 1 GLY H1 H -21.466 0.402 2.267 1.00 . A A . 1 GLY H1 1 1 16 6574 1 1 1 GLY H2 H -19.873 0.692 1.778 1.00 . A A . 1 GLY H2 1 1 16 6575 1 1 1 GLY H3 H -20.298 -0.811 2.426 1.00 . A A . 1 GLY H3 1 1 16 6576 1 1 1 GLY HA2 H -21.613 -1.371 0.551 1.00 . A A . 1 GLY HA2 1 1 16 6577 1 1 1 GLY HA3 H -21.463 0.262 -0.078 1.00 . A A . 1 GLY HA3 1 1 16 6578 1 1 1 GLY N N -20.624 -0.025 1.829 1.00 . A A . 1 GLY N 1 1 16 6579 1 1 1 GLY O O -19.189 -2.026 -0.115 1.00 . A A . 1 GLY O 1 1 16 6580 1 1 2 SER C C -16.887 0.473 -1.537 1.00 . A A . 2 SER C 1 1 16 6581 1 1 2 SER CA C -18.087 -0.339 -2.018 1.00 . A A . 2 SER CA 1 1 16 6582 1 1 2 SER CB C -18.369 -0.028 -3.489 1.00 . A A . 2 SER CB 1 1 16 6583 1 1 2 SER H H -19.731 0.795 -1.318 1.00 . A A . 2 SER H 1 1 16 6584 1 1 2 SER HA H -17.858 -1.389 -1.919 1.00 . A A . 2 SER HA 1 1 16 6585 1 1 2 SER HB2 H -17.503 -0.280 -4.081 1.00 . A A . 2 SER HB2 1 1 16 6586 1 1 2 SER HB3 H -19.215 -0.612 -3.821 1.00 . A A . 2 SER HB3 1 1 16 6587 1 1 2 SER HG H -19.417 1.588 -3.129 1.00 . A A . 2 SER HG 1 1 16 6588 1 1 2 SER N N -19.264 -0.059 -1.206 1.00 . A A . 2 SER N 1 1 16 6589 1 1 2 SER O O -17.009 1.662 -1.244 1.00 . A A . 2 SER O 1 1 16 6590 1 1 2 SER OG O -18.663 1.345 -3.673 1.00 . A A . 2 SER OG 1 1 16 6591 1 1 3 THR C C -14.668 1.014 0.410 1.00 . A A . 3 THR C 1 1 16 6592 1 1 3 THR CA C -14.512 0.483 -1.011 1.00 . A A . 3 THR CA 1 1 16 6593 1 1 3 THR CB C -14.152 1.628 -1.959 1.00 . A A . 3 THR CB 1 1 16 6594 1 1 3 THR CG2 C -12.683 1.992 -1.926 1.00 . A A . 3 THR CG2 1 1 16 6595 1 1 3 THR H H -15.700 -1.127 -1.704 1.00 . A A . 3 THR H 1 1 16 6596 1 1 3 THR HA H -13.715 -0.247 -1.024 1.00 . A A . 3 THR HA 1 1 16 6597 1 1 3 THR HB H -14.716 2.505 -1.677 1.00 . A A . 3 THR HB 1 1 16 6598 1 1 3 THR HG1 H -14.172 0.409 -3.491 1.00 . A A . 3 THR HG1 1 1 16 6599 1 1 3 THR HG21 H -12.121 1.273 -2.504 1.00 . A A . 3 THR HG21 1 1 16 6600 1 1 3 THR HG22 H -12.333 1.987 -0.905 1.00 . A A . 3 THR HG22 1 1 16 6601 1 1 3 THR HG23 H -12.548 2.977 -2.348 1.00 . A A . 3 THR HG23 1 1 16 6602 1 1 3 THR N N -15.732 -0.178 -1.457 1.00 . A A . 3 THR N 1 1 16 6603 1 1 3 THR O O -15.417 1.961 0.650 1.00 . A A . 3 THR O 1 1 16 6604 1 1 3 THR OG1 O -14.482 1.295 -3.296 1.00 . A A . 3 THR OG1 1 1 16 6605 1 1 4 SER C C -13.101 2.000 3.003 1.00 . A A . 4 SER C 1 1 16 6606 1 1 4 SER CA C -14.017 0.809 2.746 1.00 . A A . 4 SER CA 1 1 16 6607 1 1 4 SER CB C -13.627 -0.355 3.659 1.00 . A A . 4 SER CB 1 1 16 6608 1 1 4 SER H H -13.378 -0.351 1.095 1.00 . A A . 4 SER H 1 1 16 6609 1 1 4 SER HA H -15.034 1.099 2.963 1.00 . A A . 4 SER HA 1 1 16 6610 1 1 4 SER HB2 H -12.952 -1.013 3.132 1.00 . A A . 4 SER HB2 1 1 16 6611 1 1 4 SER HB3 H -13.138 0.030 4.542 1.00 . A A . 4 SER HB3 1 1 16 6612 1 1 4 SER HG H -14.707 -1.989 3.707 1.00 . A A . 4 SER HG 1 1 16 6613 1 1 4 SER N N -13.957 0.398 1.348 1.00 . A A . 4 SER N 1 1 16 6614 1 1 4 SER O O -13.566 3.118 3.225 1.00 . A A . 4 SER O 1 1 16 6615 1 1 4 SER OG O -14.768 -1.096 4.056 1.00 . A A . 4 SER OG 1 1 16 6616 1 1 5 ALA C C -9.458 2.430 2.612 1.00 . A A . 5 ALA C 1 1 16 6617 1 1 5 ALA CA C -10.813 2.807 3.202 1.00 . A A . 5 ALA CA 1 1 16 6618 1 1 5 ALA CB C -10.683 3.091 4.691 1.00 . A A . 5 ALA CB 1 1 16 6619 1 1 5 ALA H H -11.484 0.842 2.791 1.00 . A A . 5 ALA H 1 1 16 6620 1 1 5 ALA HA H -11.167 3.704 2.717 1.00 . A A . 5 ALA HA 1 1 16 6621 1 1 5 ALA HB1 H -10.009 3.921 4.840 1.00 . A A . 5 ALA HB1 1 1 16 6622 1 1 5 ALA HB2 H -10.293 2.217 5.191 1.00 . A A . 5 ALA HB2 1 1 16 6623 1 1 5 ALA HB3 H -11.653 3.335 5.096 1.00 . A A . 5 ALA HB3 1 1 16 6624 1 1 5 ALA N N -11.795 1.753 2.972 1.00 . A A . 5 ALA N 1 1 16 6625 1 1 5 ALA O O -8.932 1.349 2.877 1.00 . A A . 5 ALA O 1 1 16 6626 1 1 6 MET C C -6.480 3.196 2.208 1.00 . A A . 6 MET C 1 1 16 6627 1 1 6 MET CA C -7.603 3.095 1.186 1.00 . A A . 6 MET CA 1 1 16 6628 1 1 6 MET CB C -7.372 4.111 0.069 1.00 . A A . 6 MET CB 1 1 16 6629 1 1 6 MET CE C -10.796 4.180 -0.502 1.00 . A A . 6 MET CE 1 1 16 6630 1 1 6 MET CG C -8.143 3.803 -1.206 1.00 . A A . 6 MET CG 1 1 16 6631 1 1 6 MET H H -9.361 4.174 1.639 1.00 . A A . 6 MET H 1 1 16 6632 1 1 6 MET HA H -7.610 2.101 0.764 1.00 . A A . 6 MET HA 1 1 16 6633 1 1 6 MET HB2 H -7.669 5.084 0.420 1.00 . A A . 6 MET HB2 1 1 16 6634 1 1 6 MET HB3 H -6.322 4.134 -0.168 1.00 . A A . 6 MET HB3 1 1 16 6635 1 1 6 MET HE1 H -11.738 4.243 -1.028 1.00 . A A . 6 MET HE1 1 1 16 6636 1 1 6 MET HE2 H -10.878 4.694 0.444 1.00 . A A . 6 MET HE2 1 1 16 6637 1 1 6 MET HE3 H -10.549 3.143 -0.329 1.00 . A A . 6 MET HE3 1 1 16 6638 1 1 6 MET HG2 H -7.464 3.865 -2.045 1.00 . A A . 6 MET HG2 1 1 16 6639 1 1 6 MET HG3 H -8.537 2.800 -1.138 1.00 . A A . 6 MET HG3 1 1 16 6640 1 1 6 MET N N -8.896 3.330 1.813 1.00 . A A . 6 MET N 1 1 16 6641 1 1 6 MET O O -6.721 3.462 3.385 1.00 . A A . 6 MET O 1 1 16 6642 1 1 6 MET SD S -9.510 4.945 -1.486 1.00 . A A . 6 MET SD 1 1 16 6643 1 1 7 TRP C C -2.921 3.773 1.958 1.00 . A A . 7 TRP C 1 1 16 6644 1 1 7 TRP CA C -4.092 3.076 2.635 1.00 . A A . 7 TRP CA 1 1 16 6645 1 1 7 TRP CB C -3.664 1.688 3.125 1.00 . A A . 7 TRP CB 1 1 16 6646 1 1 7 TRP CD1 C -4.308 -0.030 1.321 1.00 . A A . 7 TRP CD1 1 1 16 6647 1 1 7 TRP CD2 C -2.101 0.295 1.543 1.00 . A A . 7 TRP CD2 1 1 16 6648 1 1 7 TRP CE2 C -2.315 -0.669 0.537 1.00 . A A . 7 TRP CE2 1 1 16 6649 1 1 7 TRP CE3 C -0.789 0.662 1.855 1.00 . A A . 7 TRP CE3 1 1 16 6650 1 1 7 TRP CG C -3.390 0.692 2.033 1.00 . A A . 7 TRP CG 1 1 16 6651 1 1 7 TRP CH2 C 0.010 -0.890 0.173 1.00 . A A . 7 TRP CH2 1 1 16 6652 1 1 7 TRP CZ2 C -1.265 -1.268 -0.153 1.00 . A A . 7 TRP CZ2 1 1 16 6653 1 1 7 TRP CZ3 C 0.253 0.066 1.165 1.00 . A A . 7 TRP CZ3 1 1 16 6654 1 1 7 TRP H H -5.118 2.796 0.802 1.00 . A A . 7 TRP H 1 1 16 6655 1 1 7 TRP HA H -4.385 3.665 3.492 1.00 . A A . 7 TRP HA 1 1 16 6656 1 1 7 TRP HB2 H -2.761 1.790 3.708 1.00 . A A . 7 TRP HB2 1 1 16 6657 1 1 7 TRP HB3 H -4.441 1.288 3.754 1.00 . A A . 7 TRP HB3 1 1 16 6658 1 1 7 TRP HD1 H -5.377 0.043 1.457 1.00 . A A . 7 TRP HD1 1 1 16 6659 1 1 7 TRP HE1 H -4.108 -1.466 -0.212 1.00 . A A . 7 TRP HE1 1 1 16 6660 1 1 7 TRP HE3 H -0.580 1.397 2.618 1.00 . A A . 7 TRP HE3 1 1 16 6661 1 1 7 TRP HH2 H 0.857 -1.326 -0.346 1.00 . A A . 7 TRP HH2 1 1 16 6662 1 1 7 TRP HZ2 H -1.438 -2.013 -0.915 1.00 . A A . 7 TRP HZ2 1 1 16 6663 1 1 7 TRP HZ3 H 1.272 0.336 1.393 1.00 . A A . 7 TRP HZ3 1 1 16 6664 1 1 7 TRP N N -5.250 2.993 1.752 1.00 . A A . 7 TRP N 1 1 16 6665 1 1 7 TRP NE1 N -3.667 -0.851 0.418 1.00 . A A . 7 TRP NE1 1 1 16 6666 1 1 7 TRP O O -2.872 3.894 0.734 1.00 . A A . 7 TRP O 1 1 16 6667 1 1 8 ALA C C 0.447 4.042 2.481 1.00 . A A . 8 ALA C 1 1 16 6668 1 1 8 ALA CA C -0.790 4.908 2.277 1.00 . A A . 8 ALA CA 1 1 16 6669 1 1 8 ALA CB C -0.621 6.250 2.973 1.00 . A A . 8 ALA CB 1 1 16 6670 1 1 8 ALA H H -2.081 4.084 3.740 1.00 . A A . 8 ALA H 1 1 16 6671 1 1 8 ALA HA H -0.924 5.088 1.218 1.00 . A A . 8 ALA HA 1 1 16 6672 1 1 8 ALA HB1 H 0.225 6.771 2.549 1.00 . A A . 8 ALA HB1 1 1 16 6673 1 1 8 ALA HB2 H -0.454 6.090 4.028 1.00 . A A . 8 ALA HB2 1 1 16 6674 1 1 8 ALA HB3 H -1.514 6.841 2.835 1.00 . A A . 8 ALA HB3 1 1 16 6675 1 1 8 ALA N N -1.977 4.223 2.774 1.00 . A A . 8 ALA N 1 1 16 6676 1 1 8 ALA O O 0.801 3.705 3.611 1.00 . A A . 8 ALA O 1 1 16 6677 1 1 9 CYS C C 3.445 3.564 2.099 1.00 . A A . 9 CYS C 1 1 16 6678 1 1 9 CYS CA C 2.282 2.837 1.440 1.00 . A A . 9 CYS CA 1 1 16 6679 1 1 9 CYS CB C 2.679 2.387 0.038 1.00 . A A . 9 CYS CB 1 1 16 6680 1 1 9 CYS H H 0.764 3.971 0.510 1.00 . A A . 9 CYS H 1 1 16 6681 1 1 9 CYS HA H 2.040 1.968 2.029 1.00 . A A . 9 CYS HA 1 1 16 6682 1 1 9 CYS HB2 H 1.791 2.092 -0.505 1.00 . A A . 9 CYS HB2 1 1 16 6683 1 1 9 CYS HB3 H 3.151 3.211 -0.475 1.00 . A A . 9 CYS HB3 1 1 16 6684 1 1 9 CYS N N 1.094 3.674 1.382 1.00 . A A . 9 CYS N 1 1 16 6685 1 1 9 CYS O O 3.449 4.790 2.202 1.00 . A A . 9 CYS O 1 1 16 6686 1 1 9 CYS SG S 3.827 0.989 0.012 1.00 . A A . 9 CYS SG 1 1 16 6687 1 1 10 GLN C C 6.873 3.006 2.394 1.00 . A A . 10 GLN C 1 1 16 6688 1 1 10 GLN CA C 5.611 3.360 3.176 1.00 . A A . 10 GLN CA 1 1 16 6689 1 1 10 GLN CB C 5.731 2.861 4.619 1.00 . A A . 10 GLN CB 1 1 16 6690 1 1 10 GLN CD C 3.894 1.360 5.486 1.00 . A A . 10 GLN CD 1 1 16 6691 1 1 10 GLN CG C 4.400 2.782 5.351 1.00 . A A . 10 GLN CG 1 1 16 6692 1 1 10 GLN H H 4.376 1.824 2.421 1.00 . A A . 10 GLN H 1 1 16 6693 1 1 10 GLN HA H 5.494 4.434 3.183 1.00 . A A . 10 GLN HA 1 1 16 6694 1 1 10 GLN HB2 H 6.171 1.875 4.610 1.00 . A A . 10 GLN HB2 1 1 16 6695 1 1 10 GLN HB3 H 6.378 3.531 5.165 1.00 . A A . 10 GLN HB3 1 1 16 6696 1 1 10 GLN HE21 H 2.920 1.514 3.760 1.00 . A A . 10 GLN HE21 1 1 16 6697 1 1 10 GLN HE22 H 2.779 -0.006 4.567 1.00 . A A . 10 GLN HE22 1 1 16 6698 1 1 10 GLN HG2 H 4.522 3.200 6.338 1.00 . A A . 10 GLN HG2 1 1 16 6699 1 1 10 GLN HG3 H 3.668 3.359 4.804 1.00 . A A . 10 GLN HG3 1 1 16 6700 1 1 10 GLN N N 4.435 2.795 2.536 1.00 . A A . 10 GLN N 1 1 16 6701 1 1 10 GLN NE2 N 3.120 0.911 4.505 1.00 . A A . 10 GLN NE2 1 1 16 6702 1 1 10 GLN O O 7.944 2.821 2.973 1.00 . A A . 10 GLN O 1 1 16 6703 1 1 10 GLN OE1 O 4.196 0.672 6.462 1.00 . A A . 10 GLN OE1 1 1 16 6704 1 1 11 HIS C C 7.831 3.492 -1.021 1.00 . A A . 11 HIS C 1 1 16 6705 1 1 11 HIS CA C 7.866 2.597 0.206 1.00 . A A . 11 HIS CA 1 1 16 6706 1 1 11 HIS CB C 7.819 1.125 -0.212 1.00 . A A . 11 HIS CB 1 1 16 6707 1 1 11 HIS CD2 C 10.209 0.142 -0.021 1.00 . A A . 11 HIS CD2 1 1 16 6708 1 1 11 HIS CE1 C 10.668 0.008 -2.161 1.00 . A A . 11 HIS CE1 1 1 16 6709 1 1 11 HIS CG C 9.127 0.602 -0.701 1.00 . A A . 11 HIS CG 1 1 16 6710 1 1 11 HIS H H 5.861 3.086 0.664 1.00 . A A . 11 HIS H 1 1 16 6711 1 1 11 HIS HA H 8.778 2.784 0.755 1.00 . A A . 11 HIS HA 1 1 16 6712 1 1 11 HIS HB2 H 7.517 0.528 0.635 1.00 . A A . 11 HIS HB2 1 1 16 6713 1 1 11 HIS HB3 H 7.096 1.007 -1.006 1.00 . A A . 11 HIS HB3 1 1 16 6714 1 1 11 HIS HD1 H 8.868 0.761 -2.786 1.00 . A A . 11 HIS HD1 1 1 16 6715 1 1 11 HIS HD2 H 10.303 0.075 1.052 1.00 . A A . 11 HIS HD2 1 1 16 6716 1 1 11 HIS HE1 H 11.182 -0.179 -3.091 1.00 . A A . 11 HIS HE1 1 1 16 6717 1 1 11 HIS HE2 H 12.071 -0.505 -0.752 1.00 . A A . 11 HIS HE2 1 1 16 6718 1 1 11 HIS N N 6.741 2.919 1.072 1.00 . A A . 11 HIS N 1 1 16 6719 1 1 11 HIS ND1 N 9.448 0.505 -2.038 1.00 . A A . 11 HIS ND1 1 1 16 6720 1 1 11 HIS NE2 N 11.145 -0.219 -0.952 1.00 . A A . 11 HIS NE2 1 1 16 6721 1 1 11 HIS O O 8.757 4.264 -1.270 1.00 . A A . 11 HIS O 1 1 16 6722 1 1 12 CYS C C 5.966 5.569 -2.529 1.00 . A A . 12 CYS C 1 1 16 6723 1 1 12 CYS CA C 6.546 4.222 -2.940 1.00 . A A . 12 CYS CA 1 1 16 6724 1 1 12 CYS CB C 5.610 3.521 -3.916 1.00 . A A . 12 CYS CB 1 1 16 6725 1 1 12 CYS H H 6.025 2.791 -1.501 1.00 . A A . 12 CYS H 1 1 16 6726 1 1 12 CYS HA H 7.507 4.374 -3.407 1.00 . A A . 12 CYS HA 1 1 16 6727 1 1 12 CYS HB2 H 5.340 4.215 -4.676 1.00 . A A . 12 CYS HB2 1 1 16 6728 1 1 12 CYS HB3 H 6.125 2.682 -4.362 1.00 . A A . 12 CYS HB3 1 1 16 6729 1 1 12 CYS N N 6.736 3.405 -1.764 1.00 . A A . 12 CYS N 1 1 16 6730 1 1 12 CYS O O 6.273 6.599 -3.124 1.00 . A A . 12 CYS O 1 1 16 6731 1 1 12 CYS SG S 4.078 2.906 -3.185 1.00 . A A . 12 CYS SG 1 1 16 6732 1 1 13 THR C C 3.256 7.131 -1.739 1.00 . A A . 13 THR C 1 1 16 6733 1 1 13 THR CA C 4.487 6.724 -0.932 1.00 . A A . 13 THR CA 1 1 16 6734 1 1 13 THR CB C 5.487 7.889 -0.808 1.00 . A A . 13 THR CB 1 1 16 6735 1 1 13 THR CG2 C 5.540 8.819 -2.008 1.00 . A A . 13 THR CG2 1 1 16 6736 1 1 13 THR H H 4.950 4.661 -1.071 1.00 . A A . 13 THR H 1 1 16 6737 1 1 13 THR HA H 4.155 6.461 0.061 1.00 . A A . 13 THR HA 1 1 16 6738 1 1 13 THR HB H 6.475 7.475 -0.669 1.00 . A A . 13 THR HB 1 1 16 6739 1 1 13 THR HG1 H 5.995 8.913 0.782 1.00 . A A . 13 THR HG1 1 1 16 6740 1 1 13 THR HG21 H 6.571 8.997 -2.279 1.00 . A A . 13 THR HG21 1 1 16 6741 1 1 13 THR HG22 H 5.068 9.757 -1.757 1.00 . A A . 13 THR HG22 1 1 16 6742 1 1 13 THR HG23 H 5.022 8.368 -2.841 1.00 . A A . 13 THR HG23 1 1 16 6743 1 1 13 THR N N 5.133 5.532 -1.488 1.00 . A A . 13 THR N 1 1 16 6744 1 1 13 THR O O 2.976 8.317 -1.919 1.00 . A A . 13 THR O 1 1 16 6745 1 1 13 THR OG1 O 5.183 8.683 0.324 1.00 . A A . 13 THR OG1 1 1 16 6746 1 1 14 PHE C C 0.099 5.784 -2.266 1.00 . A A . 14 PHE C 1 1 16 6747 1 1 14 PHE CA C 1.305 6.384 -2.972 1.00 . A A . 14 PHE CA 1 1 16 6748 1 1 14 PHE CB C 1.439 5.790 -4.372 1.00 . A A . 14 PHE CB 1 1 16 6749 1 1 14 PHE CD1 C -0.058 7.367 -5.623 1.00 . A A . 14 PHE CD1 1 1 16 6750 1 1 14 PHE CD2 C -0.512 5.030 -5.753 1.00 . A A . 14 PHE CD2 1 1 16 6751 1 1 14 PHE CE1 C -1.137 7.626 -6.447 1.00 . A A . 14 PHE CE1 1 1 16 6752 1 1 14 PHE CE2 C -1.593 5.283 -6.578 1.00 . A A . 14 PHE CE2 1 1 16 6753 1 1 14 PHE CG C 0.266 6.068 -5.267 1.00 . A A . 14 PHE CG 1 1 16 6754 1 1 14 PHE CZ C -1.905 6.582 -6.925 1.00 . A A . 14 PHE CZ 1 1 16 6755 1 1 14 PHE H H 2.773 5.216 -2.018 1.00 . A A . 14 PHE H 1 1 16 6756 1 1 14 PHE HA H 1.170 7.450 -3.052 1.00 . A A . 14 PHE HA 1 1 16 6757 1 1 14 PHE HB2 H 2.315 6.202 -4.840 1.00 . A A . 14 PHE HB2 1 1 16 6758 1 1 14 PHE HB3 H 1.550 4.720 -4.290 1.00 . A A . 14 PHE HB3 1 1 16 6759 1 1 14 PHE HD1 H 0.541 8.185 -5.250 1.00 . A A . 14 PHE HD1 1 1 16 6760 1 1 14 PHE HD2 H -0.269 4.013 -5.481 1.00 . A A . 14 PHE HD2 1 1 16 6761 1 1 14 PHE HE1 H -1.379 8.643 -6.718 1.00 . A A . 14 PHE HE1 1 1 16 6762 1 1 14 PHE HE2 H -2.191 4.464 -6.950 1.00 . A A . 14 PHE HE2 1 1 16 6763 1 1 14 PHE HZ H -2.748 6.782 -7.570 1.00 . A A . 14 PHE HZ 1 1 16 6764 1 1 14 PHE N N 2.512 6.138 -2.205 1.00 . A A . 14 PHE N 1 1 16 6765 1 1 14 PHE O O 0.239 4.966 -1.356 1.00 . A A . 14 PHE O 1 1 16 6766 1 1 15 MET C C -2.708 4.383 -2.789 1.00 . A A . 15 MET C 1 1 16 6767 1 1 15 MET CA C -2.318 5.685 -2.122 1.00 . A A . 15 MET CA 1 1 16 6768 1 1 15 MET CB C -3.441 6.715 -2.264 1.00 . A A . 15 MET CB 1 1 16 6769 1 1 15 MET CE C -6.683 6.816 -2.691 1.00 . A A . 15 MET CE 1 1 16 6770 1 1 15 MET CG C -4.416 6.716 -1.099 1.00 . A A . 15 MET CG 1 1 16 6771 1 1 15 MET H H -1.118 6.833 -3.433 1.00 . A A . 15 MET H 1 1 16 6772 1 1 15 MET HA H -2.143 5.486 -1.072 1.00 . A A . 15 MET HA 1 1 16 6773 1 1 15 MET HB2 H -3.004 7.699 -2.340 1.00 . A A . 15 MET HB2 1 1 16 6774 1 1 15 MET HB3 H -3.994 6.505 -3.167 1.00 . A A . 15 MET HB3 1 1 16 6775 1 1 15 MET HE1 H -7.670 7.219 -2.854 1.00 . A A . 15 MET HE1 1 1 16 6776 1 1 15 MET HE2 H -6.761 5.781 -2.390 1.00 . A A . 15 MET HE2 1 1 16 6777 1 1 15 MET HE3 H -6.110 6.883 -3.605 1.00 . A A . 15 MET HE3 1 1 16 6778 1 1 15 MET HG2 H -4.749 5.703 -0.923 1.00 . A A . 15 MET HG2 1 1 16 6779 1 1 15 MET HG3 H -3.907 7.083 -0.220 1.00 . A A . 15 MET HG3 1 1 16 6780 1 1 15 MET N N -1.080 6.188 -2.701 1.00 . A A . 15 MET N 1 1 16 6781 1 1 15 MET O O -2.366 4.135 -3.945 1.00 . A A . 15 MET O 1 1 16 6782 1 1 15 MET SD S -5.861 7.750 -1.403 1.00 . A A . 15 MET SD 1 1 16 6783 1 1 16 ASN C C -5.199 1.868 -2.111 1.00 . A A . 16 ASN C 1 1 16 6784 1 1 16 ASN CA C -3.784 2.238 -2.549 1.00 . A A . 16 ASN CA 1 1 16 6785 1 1 16 ASN CB C -2.786 1.212 -2.039 1.00 . A A . 16 ASN CB 1 1 16 6786 1 1 16 ASN CG C -2.517 0.112 -3.037 1.00 . A A . 16 ASN CG 1 1 16 6787 1 1 16 ASN H H -3.608 3.775 -1.117 1.00 . A A . 16 ASN H 1 1 16 6788 1 1 16 ASN HA H -3.741 2.269 -3.626 1.00 . A A . 16 ASN HA 1 1 16 6789 1 1 16 ASN HB2 H -1.852 1.709 -1.824 1.00 . A A . 16 ASN HB2 1 1 16 6790 1 1 16 ASN HB3 H -3.169 0.783 -1.135 1.00 . A A . 16 ASN HB3 1 1 16 6791 1 1 16 ASN HD21 H -1.274 1.299 -4.034 1.00 . A A . 16 ASN HD21 1 1 16 6792 1 1 16 ASN HD22 H -1.482 -0.287 -4.683 1.00 . A A . 16 ASN HD22 1 1 16 6793 1 1 16 ASN N N -3.390 3.535 -2.042 1.00 . A A . 16 ASN N 1 1 16 6794 1 1 16 ASN ND2 N -1.672 0.403 -4.016 1.00 . A A . 16 ASN ND2 1 1 16 6795 1 1 16 ASN O O -5.674 2.312 -1.069 1.00 . A A . 16 ASN O 1 1 16 6796 1 1 16 ASN OD1 O -3.056 -0.986 -2.928 1.00 . A A . 16 ASN OD1 1 1 16 6797 1 1 17 GLN C C -7.276 -0.252 -1.363 1.00 . A A . 17 GLN C 1 1 16 6798 1 1 17 GLN CA C -7.229 0.617 -2.621 1.00 . A A . 17 GLN CA 1 1 16 6799 1 1 17 GLN CB C -7.809 -0.145 -3.805 1.00 . A A . 17 GLN CB 1 1 16 6800 1 1 17 GLN CD C -9.873 1.206 -4.360 1.00 . A A . 17 GLN CD 1 1 16 6801 1 1 17 GLN CG C -8.505 0.745 -4.822 1.00 . A A . 17 GLN CG 1 1 16 6802 1 1 17 GLN H H -5.435 0.727 -3.737 1.00 . A A . 17 GLN H 1 1 16 6803 1 1 17 GLN HA H -7.822 1.495 -2.458 1.00 . A A . 17 GLN HA 1 1 16 6804 1 1 17 GLN HB2 H -7.007 -0.654 -4.299 1.00 . A A . 17 GLN HB2 1 1 16 6805 1 1 17 GLN HB3 H -8.520 -0.871 -3.444 1.00 . A A . 17 GLN HB3 1 1 16 6806 1 1 17 GLN HE21 H -9.156 3.016 -3.957 1.00 . A A . 17 GLN HE21 1 1 16 6807 1 1 17 GLN HE22 H -10.838 2.787 -3.638 1.00 . A A . 17 GLN HE22 1 1 16 6808 1 1 17 GLN HG2 H -7.891 1.616 -5.000 1.00 . A A . 17 GLN HG2 1 1 16 6809 1 1 17 GLN HG3 H -8.620 0.193 -5.744 1.00 . A A . 17 GLN HG3 1 1 16 6810 1 1 17 GLN N N -5.867 1.048 -2.920 1.00 . A A . 17 GLN N 1 1 16 6811 1 1 17 GLN NE2 N -9.965 2.463 -3.943 1.00 . A A . 17 GLN NE2 1 1 16 6812 1 1 17 GLN O O -6.249 -0.762 -0.913 1.00 . A A . 17 GLN O 1 1 16 6813 1 1 17 GLN OE1 O -10.837 0.440 -4.377 1.00 . A A . 17 GLN OE1 1 1 16 6814 1 1 18 PRO C C -8.545 -2.734 0.183 1.00 . A A . 18 PRO C 1 1 16 6815 1 1 18 PRO CA C -8.653 -1.232 0.440 1.00 . A A . 18 PRO CA 1 1 16 6816 1 1 18 PRO CB C -10.069 -0.875 0.891 1.00 . A A . 18 PRO CB 1 1 16 6817 1 1 18 PRO CD C -9.746 0.154 -1.243 1.00 . A A . 18 PRO CD 1 1 16 6818 1 1 18 PRO CG C -10.778 -0.497 -0.362 1.00 . A A . 18 PRO CG 1 1 16 6819 1 1 18 PRO HA H -7.947 -0.950 1.208 1.00 . A A . 18 PRO HA 1 1 16 6820 1 1 18 PRO HB2 H -10.527 -1.732 1.363 1.00 . A A . 18 PRO HB2 1 1 16 6821 1 1 18 PRO HB3 H -10.032 -0.051 1.587 1.00 . A A . 18 PRO HB3 1 1 16 6822 1 1 18 PRO HD2 H -9.925 -0.097 -2.277 1.00 . A A . 18 PRO HD2 1 1 16 6823 1 1 18 PRO HD3 H -9.755 1.225 -1.106 1.00 . A A . 18 PRO HD3 1 1 16 6824 1 1 18 PRO HG2 H -11.175 -1.381 -0.839 1.00 . A A . 18 PRO HG2 1 1 16 6825 1 1 18 PRO HG3 H -11.573 0.199 -0.138 1.00 . A A . 18 PRO HG3 1 1 16 6826 1 1 18 PRO N N -8.474 -0.426 -0.774 1.00 . A A . 18 PRO N 1 1 16 6827 1 1 18 PRO O O -8.533 -3.531 1.120 1.00 . A A . 18 PRO O 1 1 16 6828 1 1 19 GLY C C -6.989 -4.884 -1.973 1.00 . A A . 19 GLY C 1 1 16 6829 1 1 19 GLY CA C -8.359 -4.525 -1.430 1.00 . A A . 19 GLY CA 1 1 16 6830 1 1 19 GLY H H -8.475 -2.444 -1.799 1.00 . A A . 19 GLY H 1 1 16 6831 1 1 19 GLY HA2 H -8.549 -5.116 -0.547 1.00 . A A . 19 GLY HA2 1 1 16 6832 1 1 19 GLY HA3 H -9.103 -4.762 -2.176 1.00 . A A . 19 GLY HA3 1 1 16 6833 1 1 19 GLY N N -8.465 -3.118 -1.088 1.00 . A A . 19 GLY N 1 1 16 6834 1 1 19 GLY O O -6.635 -6.060 -2.062 1.00 . A A . 19 GLY O 1 1 16 6835 1 1 20 THR C C -3.835 -3.985 -1.777 1.00 . A A . 20 THR C 1 1 16 6836 1 1 20 THR CA C -4.883 -4.064 -2.876 1.00 . A A . 20 THR CA 1 1 16 6837 1 1 20 THR CB C -4.589 -3.009 -3.936 1.00 . A A . 20 THR CB 1 1 16 6838 1 1 20 THR CG2 C -5.060 -3.401 -5.314 1.00 . A A . 20 THR CG2 1 1 16 6839 1 1 20 THR H H -6.561 -2.952 -2.243 1.00 . A A . 20 THR H 1 1 16 6840 1 1 20 THR HA H -4.839 -5.042 -3.331 1.00 . A A . 20 THR HA 1 1 16 6841 1 1 20 THR HB H -3.522 -2.851 -3.983 1.00 . A A . 20 THR HB 1 1 16 6842 1 1 20 THR HG1 H -5.016 -1.130 -4.283 1.00 . A A . 20 THR HG1 1 1 16 6843 1 1 20 THR HG21 H -6.077 -3.067 -5.452 1.00 . A A . 20 THR HG21 1 1 16 6844 1 1 20 THR HG22 H -5.015 -4.475 -5.414 1.00 . A A . 20 THR HG22 1 1 16 6845 1 1 20 THR HG23 H -4.424 -2.941 -6.053 1.00 . A A . 20 THR HG23 1 1 16 6846 1 1 20 THR N N -6.220 -3.865 -2.338 1.00 . A A . 20 THR N 1 1 16 6847 1 1 20 THR O O -2.949 -3.136 -1.818 1.00 . A A . 20 THR O 1 1 16 6848 1 1 20 THR OG1 O -5.213 -1.782 -3.607 1.00 . A A . 20 THR OG1 1 1 16 6849 1 1 21 GLY C C -1.550 -4.749 -0.204 1.00 . A A . 21 GLY C 1 1 16 6850 1 1 21 GLY CA C -2.974 -4.878 0.292 1.00 . A A . 21 GLY CA 1 1 16 6851 1 1 21 GLY H H -4.658 -5.535 -0.812 1.00 . A A . 21 GLY H 1 1 16 6852 1 1 21 GLY HA2 H -3.190 -4.050 0.952 1.00 . A A . 21 GLY HA2 1 1 16 6853 1 1 21 GLY HA3 H -3.069 -5.796 0.842 1.00 . A A . 21 GLY HA3 1 1 16 6854 1 1 21 GLY N N -3.934 -4.875 -0.796 1.00 . A A . 21 GLY N 1 1 16 6855 1 1 21 GLY O O -0.696 -4.178 0.473 1.00 . A A . 21 GLY O 1 1 16 6856 1 1 22 HIS C C 0.305 -3.739 -2.408 1.00 . A A . 22 HIS C 1 1 16 6857 1 1 22 HIS CA C 0.028 -5.182 -1.989 1.00 . A A . 22 HIS CA 1 1 16 6858 1 1 22 HIS CB C 0.155 -6.145 -3.175 1.00 . A A . 22 HIS CB 1 1 16 6859 1 1 22 HIS CD2 C 1.285 -8.474 -3.017 1.00 . A A . 22 HIS CD2 1 1 16 6860 1 1 22 HIS CE1 C -0.242 -9.490 -1.815 1.00 . A A . 22 HIS CE1 1 1 16 6861 1 1 22 HIS CG C 0.300 -7.578 -2.769 1.00 . A A . 22 HIS CG 1 1 16 6862 1 1 22 HIS H H -2.021 -5.693 -1.906 1.00 . A A . 22 HIS H 1 1 16 6863 1 1 22 HIS HA H 0.738 -5.462 -1.227 1.00 . A A . 22 HIS HA 1 1 16 6864 1 1 22 HIS HB2 H -0.726 -6.062 -3.793 1.00 . A A . 22 HIS HB2 1 1 16 6865 1 1 22 HIS HB3 H 1.024 -5.874 -3.758 1.00 . A A . 22 HIS HB3 1 1 16 6866 1 1 22 HIS HD1 H -1.478 -7.865 -1.673 1.00 . A A . 22 HIS HD1 1 1 16 6867 1 1 22 HIS HD2 H 2.187 -8.294 -3.585 1.00 . A A . 22 HIS HD2 1 1 16 6868 1 1 22 HIS HE1 H -0.777 -10.244 -1.257 1.00 . A A . 22 HIS HE1 1 1 16 6869 1 1 22 HIS HE2 H 1.401 -10.506 -2.497 1.00 . A A . 22 HIS HE2 1 1 16 6870 1 1 22 HIS N N -1.297 -5.265 -1.403 1.00 . A A . 22 HIS N 1 1 16 6871 1 1 22 HIS ND1 N -0.641 -8.246 -2.014 1.00 . A A . 22 HIS ND1 1 1 16 6872 1 1 22 HIS NE2 N 0.924 -9.654 -2.413 1.00 . A A . 22 HIS NE2 1 1 16 6873 1 1 22 HIS O O 0.443 -2.873 -1.554 1.00 . A A . 22 HIS O 1 1 16 6874 1 1 23 CYS C C 0.766 -2.075 -5.701 1.00 . A A . 23 CYS C 1 1 16 6875 1 1 23 CYS CA C 0.603 -2.113 -4.188 1.00 . A A . 23 CYS CA 1 1 16 6876 1 1 23 CYS CB C 1.835 -1.505 -3.524 1.00 . A A . 23 CYS CB 1 1 16 6877 1 1 23 CYS H H 0.245 -4.181 -4.358 1.00 . A A . 23 CYS H 1 1 16 6878 1 1 23 CYS HA H -0.259 -1.521 -3.921 1.00 . A A . 23 CYS HA 1 1 16 6879 1 1 23 CYS HB2 H 2.172 -2.153 -2.734 1.00 . A A . 23 CYS HB2 1 1 16 6880 1 1 23 CYS HB3 H 2.617 -1.414 -4.253 1.00 . A A . 23 CYS HB3 1 1 16 6881 1 1 23 CYS N N 0.369 -3.468 -3.710 1.00 . A A . 23 CYS N 1 1 16 6882 1 1 23 CYS O O 1.193 -3.051 -6.318 1.00 . A A . 23 CYS O 1 1 16 6883 1 1 23 CYS SG S 1.548 0.134 -2.817 1.00 . A A . 23 CYS SG 1 1 16 6884 1 1 24 GLU C C 1.740 0.168 -8.033 1.00 . A A . 24 GLU C 1 1 16 6885 1 1 24 GLU CA C 0.556 -0.741 -7.723 1.00 . A A . 24 GLU CA 1 1 16 6886 1 1 24 GLU CB C -0.733 -0.145 -8.292 1.00 . A A . 24 GLU CB 1 1 16 6887 1 1 24 GLU CD C -3.003 -0.721 -9.241 1.00 . A A . 24 GLU CD 1 1 16 6888 1 1 24 GLU CG C -1.548 -1.131 -9.112 1.00 . A A . 24 GLU CG 1 1 16 6889 1 1 24 GLU H H 0.114 -0.188 -5.734 1.00 . A A . 24 GLU H 1 1 16 6890 1 1 24 GLU HA H 0.729 -1.707 -8.173 1.00 . A A . 24 GLU HA 1 1 16 6891 1 1 24 GLU HB2 H -1.347 0.204 -7.475 1.00 . A A . 24 GLU HB2 1 1 16 6892 1 1 24 GLU HB3 H -0.483 0.694 -8.925 1.00 . A A . 24 GLU HB3 1 1 16 6893 1 1 24 GLU HG2 H -1.121 -1.199 -10.101 1.00 . A A . 24 GLU HG2 1 1 16 6894 1 1 24 GLU HG3 H -1.504 -2.100 -8.635 1.00 . A A . 24 GLU HG3 1 1 16 6895 1 1 24 GLU N N 0.435 -0.931 -6.286 1.00 . A A . 24 GLU N 1 1 16 6896 1 1 24 GLU O O 1.779 0.822 -9.076 1.00 . A A . 24 GLU O 1 1 16 6897 1 1 24 GLU OE1 O -3.784 -1.005 -8.308 1.00 . A A . 24 GLU OE1 1 1 16 6898 1 1 24 GLU OE2 O -3.360 -0.116 -10.274 1.00 . A A . 24 GLU OE2 1 1 16 6899 1 1 25 MET C C 5.136 0.207 -6.977 1.00 . A A . 25 MET C 1 1 16 6900 1 1 25 MET CA C 3.891 1.024 -7.285 1.00 . A A . 25 MET CA 1 1 16 6901 1 1 25 MET CB C 3.826 2.251 -6.376 1.00 . A A . 25 MET CB 1 1 16 6902 1 1 25 MET CE C 5.435 3.550 -8.819 1.00 . A A . 25 MET CE 1 1 16 6903 1 1 25 MET CG C 3.288 3.493 -7.068 1.00 . A A . 25 MET CG 1 1 16 6904 1 1 25 MET H H 2.620 -0.344 -6.307 1.00 . A A . 25 MET H 1 1 16 6905 1 1 25 MET HA H 3.931 1.347 -8.316 1.00 . A A . 25 MET HA 1 1 16 6906 1 1 25 MET HB2 H 3.185 2.028 -5.535 1.00 . A A . 25 MET HB2 1 1 16 6907 1 1 25 MET HB3 H 4.819 2.470 -6.012 1.00 . A A . 25 MET HB3 1 1 16 6908 1 1 25 MET HE1 H 4.866 3.518 -9.730 1.00 . A A . 25 MET HE1 1 1 16 6909 1 1 25 MET HE2 H 5.524 2.551 -8.417 1.00 . A A . 25 MET HE2 1 1 16 6910 1 1 25 MET HE3 H 6.420 3.947 -9.018 1.00 . A A . 25 MET HE3 1 1 16 6911 1 1 25 MET HG2 H 2.703 3.187 -7.922 1.00 . A A . 25 MET HG2 1 1 16 6912 1 1 25 MET HG3 H 2.657 4.030 -6.375 1.00 . A A . 25 MET HG3 1 1 16 6913 1 1 25 MET N N 2.705 0.203 -7.117 1.00 . A A . 25 MET N 1 1 16 6914 1 1 25 MET O O 5.999 0.027 -7.835 1.00 . A A . 25 MET O 1 1 16 6915 1 1 25 MET SD S 4.598 4.597 -7.631 1.00 . A A . 25 MET SD 1 1 16 6916 1 1 26 CYS C C 6.156 -2.565 -5.744 1.00 . A A . 26 CYS C 1 1 16 6917 1 1 26 CYS CA C 6.357 -1.104 -5.350 1.00 . A A . 26 CYS CA 1 1 16 6918 1 1 26 CYS CB C 6.579 -0.995 -3.846 1.00 . A A . 26 CYS CB 1 1 16 6919 1 1 26 CYS H H 4.505 -0.134 -5.098 1.00 . A A . 26 CYS H 1 1 16 6920 1 1 26 CYS HA H 7.228 -0.722 -5.861 1.00 . A A . 26 CYS HA 1 1 16 6921 1 1 26 CYS HB2 H 7.233 -1.781 -3.546 1.00 . A A . 26 CYS HB2 1 1 16 6922 1 1 26 CYS HB3 H 7.038 -0.043 -3.623 1.00 . A A . 26 CYS HB3 1 1 16 6923 1 1 26 CYS N N 5.221 -0.301 -5.749 1.00 . A A . 26 CYS N 1 1 16 6924 1 1 26 CYS O O 7.050 -3.185 -6.319 1.00 . A A . 26 CYS O 1 1 16 6925 1 1 26 CYS SG S 5.083 -1.136 -2.842 1.00 . A A . 26 CYS SG 1 1 16 6926 1 1 27 SER C C 4.954 -5.347 -4.464 1.00 . A A . 27 SER C 1 1 16 6927 1 1 27 SER CA C 4.644 -4.510 -5.688 1.00 . A A . 27 SER CA 1 1 16 6928 1 1 27 SER CB C 5.400 -5.047 -6.903 1.00 . A A . 27 SER CB 1 1 16 6929 1 1 27 SER H H 4.330 -2.564 -4.920 1.00 . A A . 27 SER H 1 1 16 6930 1 1 27 SER HA H 3.585 -4.559 -5.883 1.00 . A A . 27 SER HA 1 1 16 6931 1 1 27 SER HB2 H 5.424 -4.290 -7.669 1.00 . A A . 27 SER HB2 1 1 16 6932 1 1 27 SER HB3 H 6.408 -5.299 -6.610 1.00 . A A . 27 SER HB3 1 1 16 6933 1 1 27 SER HG H 5.307 -6.566 -8.137 1.00 . A A . 27 SER HG 1 1 16 6934 1 1 27 SER N N 4.983 -3.112 -5.404 1.00 . A A . 27 SER N 1 1 16 6935 1 1 27 SER O O 5.411 -6.486 -4.557 1.00 . A A . 27 SER O 1 1 16 6936 1 1 27 SER OG O 4.773 -6.206 -7.425 1.00 . A A . 27 SER OG 1 1 16 6937 1 1 28 LEU C C 3.684 -5.452 -1.228 1.00 . A A . 28 LEU C 1 1 16 6938 1 1 28 LEU CA C 4.973 -5.355 -2.036 1.00 . A A . 28 LEU CA 1 1 16 6939 1 1 28 LEU CB C 5.995 -4.507 -1.297 1.00 . A A . 28 LEU CB 1 1 16 6940 1 1 28 LEU CD1 C 8.377 -3.964 -0.763 1.00 . A A . 28 LEU CD1 1 1 16 6941 1 1 28 LEU CD2 C 7.637 -6.351 -0.826 1.00 . A A . 28 LEU CD2 1 1 16 6942 1 1 28 LEU CG C 7.449 -4.967 -1.425 1.00 . A A . 28 LEU CG 1 1 16 6943 1 1 28 LEU H H 4.371 -3.827 -3.323 1.00 . A A . 28 LEU H 1 1 16 6944 1 1 28 LEU HA H 5.372 -6.343 -2.198 1.00 . A A . 28 LEU HA 1 1 16 6945 1 1 28 LEU HB2 H 5.928 -3.505 -1.683 1.00 . A A . 28 LEU HB2 1 1 16 6946 1 1 28 LEU HB3 H 5.729 -4.481 -0.267 1.00 . A A . 28 LEU HB3 1 1 16 6947 1 1 28 LEU HD11 H 9.239 -4.485 -0.361 1.00 . A A . 28 LEU HD11 1 1 16 6948 1 1 28 LEU HD12 H 7.859 -3.460 0.035 1.00 . A A . 28 LEU HD12 1 1 16 6949 1 1 28 LEU HD13 H 8.707 -3.240 -1.494 1.00 . A A . 28 LEU HD13 1 1 16 6950 1 1 28 LEU HD21 H 6.842 -7.000 -1.153 1.00 . A A . 28 LEU HD21 1 1 16 6951 1 1 28 LEU HD22 H 7.630 -6.282 0.251 1.00 . A A . 28 LEU HD22 1 1 16 6952 1 1 28 LEU HD23 H 8.586 -6.756 -1.153 1.00 . A A . 28 LEU HD23 1 1 16 6953 1 1 28 LEU HG H 7.697 -5.014 -2.475 1.00 . A A . 28 LEU HG 1 1 16 6954 1 1 28 LEU N N 4.718 -4.739 -3.313 1.00 . A A . 28 LEU N 1 1 16 6955 1 1 28 LEU O O 2.659 -4.906 -1.624 1.00 . A A . 28 LEU O 1 1 16 6956 1 1 29 PRO C C 2.257 -5.057 1.604 1.00 . A A . 29 PRO C 1 1 16 6957 1 1 29 PRO CA C 2.556 -6.309 0.786 1.00 . A A . 29 PRO CA 1 1 16 6958 1 1 29 PRO CB C 2.966 -7.463 1.700 1.00 . A A . 29 PRO CB 1 1 16 6959 1 1 29 PRO CD C 4.917 -6.814 0.459 1.00 . A A . 29 PRO CD 1 1 16 6960 1 1 29 PRO CG C 4.451 -7.376 1.779 1.00 . A A . 29 PRO CG 1 1 16 6961 1 1 29 PRO HA H 1.679 -6.587 0.220 1.00 . A A . 29 PRO HA 1 1 16 6962 1 1 29 PRO HB2 H 2.509 -7.336 2.671 1.00 . A A . 29 PRO HB2 1 1 16 6963 1 1 29 PRO HB3 H 2.649 -8.399 1.267 1.00 . A A . 29 PRO HB3 1 1 16 6964 1 1 29 PRO HD2 H 5.713 -6.102 0.613 1.00 . A A . 29 PRO HD2 1 1 16 6965 1 1 29 PRO HD3 H 5.242 -7.604 -0.198 1.00 . A A . 29 PRO HD3 1 1 16 6966 1 1 29 PRO HG2 H 4.737 -6.718 2.586 1.00 . A A . 29 PRO HG2 1 1 16 6967 1 1 29 PRO HG3 H 4.868 -8.361 1.932 1.00 . A A . 29 PRO HG3 1 1 16 6968 1 1 29 PRO N N 3.724 -6.144 -0.081 1.00 . A A . 29 PRO N 1 1 16 6969 1 1 29 PRO O O 3.096 -4.166 1.722 1.00 . A A . 29 PRO O 1 1 16 6970 1 1 30 ARG C C 1.359 -3.846 4.319 1.00 . A A . 30 ARG C 1 1 16 6971 1 1 30 ARG CA C 0.640 -3.862 2.979 1.00 . A A . 30 ARG CA 1 1 16 6972 1 1 30 ARG CB C -0.871 -3.903 3.193 1.00 . A A . 30 ARG CB 1 1 16 6973 1 1 30 ARG CD C -2.480 -2.178 4.066 1.00 . A A . 30 ARG CD 1 1 16 6974 1 1 30 ARG CG C -1.564 -2.578 2.920 1.00 . A A . 30 ARG CG 1 1 16 6975 1 1 30 ARG CZ C -4.876 -2.262 4.635 1.00 . A A . 30 ARG CZ 1 1 16 6976 1 1 30 ARG H H 0.428 -5.741 2.047 1.00 . A A . 30 ARG H 1 1 16 6977 1 1 30 ARG HA H 0.898 -2.969 2.446 1.00 . A A . 30 ARG HA 1 1 16 6978 1 1 30 ARG HB2 H -1.290 -4.649 2.535 1.00 . A A . 30 ARG HB2 1 1 16 6979 1 1 30 ARG HB3 H -1.070 -4.189 4.212 1.00 . A A . 30 ARG HB3 1 1 16 6980 1 1 30 ARG HD2 H -2.158 -2.689 4.961 1.00 . A A . 30 ARG HD2 1 1 16 6981 1 1 30 ARG HD3 H -2.405 -1.111 4.215 1.00 . A A . 30 ARG HD3 1 1 16 6982 1 1 30 ARG HE H -4.074 -2.975 2.953 1.00 . A A . 30 ARG HE 1 1 16 6983 1 1 30 ARG HG2 H -0.815 -1.811 2.788 1.00 . A A . 30 ARG HG2 1 1 16 6984 1 1 30 ARG HG3 H -2.151 -2.669 2.018 1.00 . A A . 30 ARG HG3 1 1 16 6985 1 1 30 ARG HH11 H -3.711 -1.386 6.039 1.00 . A A . 30 ARG HH11 1 1 16 6986 1 1 30 ARG HH12 H -5.400 -1.457 6.415 1.00 . A A . 30 ARG HH12 1 1 16 6987 1 1 30 ARG HH21 H -6.296 -3.070 3.446 1.00 . A A . 30 ARG HH21 1 1 16 6988 1 1 30 ARG HH22 H -6.868 -2.413 4.943 1.00 . A A . 30 ARG HH22 1 1 16 6989 1 1 30 ARG N N 1.053 -4.998 2.169 1.00 . A A . 30 ARG N 1 1 16 6990 1 1 30 ARG NE N -3.874 -2.524 3.800 1.00 . A A . 30 ARG NE 1 1 16 6991 1 1 30 ARG NH1 N -4.642 -1.652 5.791 1.00 . A A . 30 ARG NH1 1 1 16 6992 1 1 30 ARG NH2 N -6.114 -2.610 4.315 1.00 . A A . 30 ARG NH2 1 1 16 6993 1 1 30 ARG O O 1.230 -2.899 5.096 1.00 . A A . 30 ARG O 1 1 16 6994 1 1 31 THR C C 4.171 -5.740 5.627 1.00 . A A . 31 THR C 1 1 16 6995 1 1 31 THR CA C 2.840 -5.017 5.834 1.00 . A A . 31 THR CA 1 1 16 6996 1 1 31 THR CB C 1.979 -5.749 6.869 1.00 . A A . 31 THR CB 1 1 16 6997 1 1 31 THR CG2 C 2.144 -7.256 6.853 1.00 . A A . 31 THR CG2 1 1 16 6998 1 1 31 THR H H 2.160 -5.622 3.929 1.00 . A A . 31 THR H 1 1 16 6999 1 1 31 THR HA H 3.039 -4.017 6.187 1.00 . A A . 31 THR HA 1 1 16 7000 1 1 31 THR HB H 0.939 -5.531 6.663 1.00 . A A . 31 THR HB 1 1 16 7001 1 1 31 THR HG1 H 1.662 -5.695 8.801 1.00 . A A . 31 THR HG1 1 1 16 7002 1 1 31 THR HG21 H 2.989 -7.532 7.464 1.00 . A A . 31 THR HG21 1 1 16 7003 1 1 31 THR HG22 H 2.308 -7.589 5.839 1.00 . A A . 31 THR HG22 1 1 16 7004 1 1 31 THR HG23 H 1.250 -7.719 7.244 1.00 . A A . 31 THR HG23 1 1 16 7005 1 1 31 THR N N 2.108 -4.902 4.586 1.00 . A A . 31 THR N 1 1 16 7006 1 1 31 THR O O 4.714 -6.339 6.554 1.00 . A A . 31 THR O 1 1 16 7007 1 1 31 THR OG1 O 2.276 -5.299 8.179 1.00 . A A . 31 THR OG1 1 1 16 7008 2 2 1 ZN ZN ZN 3.836 0.743 -2.397 1.00 . B A . 32 ZN ZN 1 1 17 7009 1 1 1 GLY C C -18.678 2.919 -4.397 1.00 . A A . 1 GLY C 1 1 17 7010 1 1 1 GLY CA C -19.228 3.473 -5.697 1.00 . A A . 1 GLY CA 1 1 17 7011 1 1 1 GLY H1 H -18.510 4.006 -7.585 1.00 . A A . 1 GLY H1 1 1 17 7012 1 1 1 GLY H2 H -17.341 3.314 -6.577 1.00 . A A . 1 GLY H2 1 1 17 7013 1 1 1 GLY H3 H -17.844 4.908 -6.318 1.00 . A A . 1 GLY H3 1 1 17 7014 1 1 1 GLY HA2 H -19.894 4.293 -5.472 1.00 . A A . 1 GLY HA2 1 1 17 7015 1 1 1 GLY HA3 H -19.786 2.697 -6.199 1.00 . A A . 1 GLY HA3 1 1 17 7016 1 1 1 GLY N N -18.156 3.960 -6.608 1.00 . A A . 1 GLY N 1 1 17 7017 1 1 1 GLY O O -17.875 3.569 -3.728 1.00 . A A . 1 GLY O 1 1 17 7018 1 1 2 SER C C -17.146 0.875 -2.827 1.00 . A A . 2 SER C 1 1 17 7019 1 1 2 SER CA C -18.658 1.073 -2.811 1.00 . A A . 2 SER CA 1 1 17 7020 1 1 2 SER CB C -19.358 -0.275 -2.626 1.00 . A A . 2 SER CB 1 1 17 7021 1 1 2 SER H H -19.752 1.247 -4.614 1.00 . A A . 2 SER H 1 1 17 7022 1 1 2 SER HA H -18.916 1.719 -1.985 1.00 . A A . 2 SER HA 1 1 17 7023 1 1 2 SER HB2 H -18.820 -0.860 -1.895 1.00 . A A . 2 SER HB2 1 1 17 7024 1 1 2 SER HB3 H -20.368 -0.108 -2.281 1.00 . A A . 2 SER HB3 1 1 17 7025 1 1 2 SER HG H -20.154 -0.698 -4.365 1.00 . A A . 2 SER HG 1 1 17 7026 1 1 2 SER N N -19.112 1.715 -4.039 1.00 . A A . 2 SER N 1 1 17 7027 1 1 2 SER O O -16.593 0.311 -3.771 1.00 . A A . 2 SER O 1 1 17 7028 1 1 2 SER OG O -19.405 -0.997 -3.843 1.00 . A A . 2 SER OG 1 1 17 7029 1 1 3 THR C C -14.571 1.457 -0.234 1.00 . A A . 3 THR C 1 1 17 7030 1 1 3 THR CA C -15.032 1.219 -1.668 1.00 . A A . 3 THR CA 1 1 17 7031 1 1 3 THR CB C -14.344 2.208 -2.609 1.00 . A A . 3 THR CB 1 1 17 7032 1 1 3 THR CG2 C -12.841 2.035 -2.665 1.00 . A A . 3 THR CG2 1 1 17 7033 1 1 3 THR H H -16.978 1.785 -1.055 1.00 . A A . 3 THR H 1 1 17 7034 1 1 3 THR HA H -14.765 0.214 -1.958 1.00 . A A . 3 THR HA 1 1 17 7035 1 1 3 THR HB H -14.547 3.213 -2.269 1.00 . A A . 3 THR HB 1 1 17 7036 1 1 3 THR HG1 H -14.561 1.232 -4.293 1.00 . A A . 3 THR HG1 1 1 17 7037 1 1 3 THR HG21 H -12.472 2.409 -3.608 1.00 . A A . 3 THR HG21 1 1 17 7038 1 1 3 THR HG22 H -12.596 0.987 -2.573 1.00 . A A . 3 THR HG22 1 1 17 7039 1 1 3 THR HG23 H -12.384 2.584 -1.856 1.00 . A A . 3 THR HG23 1 1 17 7040 1 1 3 THR N N -16.481 1.344 -1.775 1.00 . A A . 3 THR N 1 1 17 7041 1 1 3 THR O O -14.773 2.536 0.322 1.00 . A A . 3 THR O 1 1 17 7042 1 1 3 THR OG1 O -14.841 2.076 -3.929 1.00 . A A . 3 THR OG1 1 1 17 7043 1 1 4 SER C C -12.438 1.673 1.856 1.00 . A A . 4 SER C 1 1 17 7044 1 1 4 SER CA C -13.456 0.544 1.726 1.00 . A A . 4 SER CA 1 1 17 7045 1 1 4 SER CB C -12.828 -0.782 2.162 1.00 . A A . 4 SER CB 1 1 17 7046 1 1 4 SER H H -13.816 -0.391 -0.138 1.00 . A A . 4 SER H 1 1 17 7047 1 1 4 SER HA H -14.299 0.761 2.365 1.00 . A A . 4 SER HA 1 1 17 7048 1 1 4 SER HB2 H -12.666 -1.404 1.295 1.00 . A A . 4 SER HB2 1 1 17 7049 1 1 4 SER HB3 H -11.883 -0.591 2.649 1.00 . A A . 4 SER HB3 1 1 17 7050 1 1 4 SER HG H -13.468 -1.209 3.965 1.00 . A A . 4 SER HG 1 1 17 7051 1 1 4 SER N N -13.948 0.443 0.358 1.00 . A A . 4 SER N 1 1 17 7052 1 1 4 SER O O -12.252 2.462 0.929 1.00 . A A . 4 SER O 1 1 17 7053 1 1 4 SER OG O -13.675 -1.474 3.066 1.00 . A A . 4 SER OG 1 1 17 7054 1 1 5 ALA C C -9.441 2.406 2.640 1.00 . A A . 5 ALA C 1 1 17 7055 1 1 5 ALA CA C -10.785 2.778 3.258 1.00 . A A . 5 ALA CA 1 1 17 7056 1 1 5 ALA CB C -10.632 3.014 4.752 1.00 . A A . 5 ALA CB 1 1 17 7057 1 1 5 ALA H H -11.975 1.087 3.710 1.00 . A A . 5 ALA H 1 1 17 7058 1 1 5 ALA HA H -11.136 3.695 2.806 1.00 . A A . 5 ALA HA 1 1 17 7059 1 1 5 ALA HB1 H -10.310 2.101 5.230 1.00 . A A . 5 ALA HB1 1 1 17 7060 1 1 5 ALA HB2 H -11.581 3.322 5.167 1.00 . A A . 5 ALA HB2 1 1 17 7061 1 1 5 ALA HB3 H -9.898 3.787 4.921 1.00 . A A . 5 ALA HB3 1 1 17 7062 1 1 5 ALA N N -11.782 1.744 3.009 1.00 . A A . 5 ALA N 1 1 17 7063 1 1 5 ALA O O -8.920 1.315 2.871 1.00 . A A . 5 ALA O 1 1 17 7064 1 1 6 MET C C -6.464 3.170 2.213 1.00 . A A . 6 MET C 1 1 17 7065 1 1 6 MET CA C -7.601 3.093 1.204 1.00 . A A . 6 MET CA 1 1 17 7066 1 1 6 MET CB C -7.382 4.131 0.104 1.00 . A A . 6 MET CB 1 1 17 7067 1 1 6 MET CE C -8.837 5.885 -2.942 1.00 . A A . 6 MET CE 1 1 17 7068 1 1 6 MET CG C -8.191 3.866 -1.156 1.00 . A A . 6 MET CG 1 1 17 7069 1 1 6 MET H H -9.344 4.173 1.709 1.00 . A A . 6 MET H 1 1 17 7070 1 1 6 MET HA H -7.617 2.109 0.763 1.00 . A A . 6 MET HA 1 1 17 7071 1 1 6 MET HB2 H -7.654 5.100 0.487 1.00 . A A . 6 MET HB2 1 1 17 7072 1 1 6 MET HB3 H -6.338 4.143 -0.158 1.00 . A A . 6 MET HB3 1 1 17 7073 1 1 6 MET HE1 H -8.269 6.767 -2.682 1.00 . A A . 6 MET HE1 1 1 17 7074 1 1 6 MET HE2 H -9.667 6.165 -3.573 1.00 . A A . 6 MET HE2 1 1 17 7075 1 1 6 MET HE3 H -8.201 5.190 -3.468 1.00 . A A . 6 MET HE3 1 1 17 7076 1 1 6 MET HG2 H -7.519 3.853 -2.001 1.00 . A A . 6 MET HG2 1 1 17 7077 1 1 6 MET HG3 H -8.669 2.903 -1.064 1.00 . A A . 6 MET HG3 1 1 17 7078 1 1 6 MET N N -8.884 3.321 1.854 1.00 . A A . 6 MET N 1 1 17 7079 1 1 6 MET O O -6.689 3.425 3.396 1.00 . A A . 6 MET O 1 1 17 7080 1 1 6 MET SD S -9.459 5.115 -1.448 1.00 . A A . 6 MET SD 1 1 17 7081 1 1 7 TRP C C -2.906 3.725 1.938 1.00 . A A . 7 TRP C 1 1 17 7082 1 1 7 TRP CA C -4.076 3.024 2.612 1.00 . A A . 7 TRP CA 1 1 17 7083 1 1 7 TRP CB C -3.653 1.630 3.087 1.00 . A A . 7 TRP CB 1 1 17 7084 1 1 7 TRP CD1 C -4.277 -0.088 1.272 1.00 . A A . 7 TRP CD1 1 1 17 7085 1 1 7 TRP CD2 C -2.075 0.248 1.510 1.00 . A A . 7 TRP CD2 1 1 17 7086 1 1 7 TRP CE2 C -2.275 -0.715 0.504 1.00 . A A . 7 TRP CE2 1 1 17 7087 1 1 7 TRP CE3 C -0.767 0.623 1.832 1.00 . A A . 7 TRP CE3 1 1 17 7088 1 1 7 TRP CG C -3.367 0.640 1.991 1.00 . A A . 7 TRP CG 1 1 17 7089 1 1 7 TRP CH2 C 0.054 -0.924 0.157 1.00 . A A . 7 TRP CH2 1 1 17 7090 1 1 7 TRP CZ2 C -1.216 -1.311 -0.179 1.00 . A A . 7 TRP CZ2 1 1 17 7091 1 1 7 TRP CZ3 C 0.283 0.034 1.152 1.00 . A A . 7 TRP CZ3 1 1 17 7092 1 1 7 TRP H H -5.122 2.775 0.784 1.00 . A A . 7 TRP H 1 1 17 7093 1 1 7 TRP HA H -4.360 3.606 3.477 1.00 . A A . 7 TRP HA 1 1 17 7094 1 1 7 TRP HB2 H -2.755 1.725 3.679 1.00 . A A . 7 TRP HB2 1 1 17 7095 1 1 7 TRP HB3 H -4.434 1.226 3.707 1.00 . A A . 7 TRP HB3 1 1 17 7096 1 1 7 TRP HD1 H -5.348 -0.022 1.400 1.00 . A A . 7 TRP HD1 1 1 17 7097 1 1 7 TRP HE1 H -4.056 -1.526 -0.260 1.00 . A A . 7 TRP HE1 1 1 17 7098 1 1 7 TRP HE3 H -0.569 1.361 2.596 1.00 . A A . 7 TRP HE3 1 1 17 7099 1 1 7 TRP HH2 H 0.906 -1.357 -0.353 1.00 . A A . 7 TRP HH2 1 1 17 7100 1 1 7 TRP HZ2 H -1.380 -2.057 -0.942 1.00 . A A . 7 TRP HZ2 1 1 17 7101 1 1 7 TRP HZ3 H 1.300 0.310 1.387 1.00 . A A . 7 TRP HZ3 1 1 17 7102 1 1 7 TRP N N -5.241 2.961 1.739 1.00 . A A . 7 TRP N 1 1 17 7103 1 1 7 TRP NE1 N -3.624 -0.907 0.375 1.00 . A A . 7 TRP NE1 1 1 17 7104 1 1 7 TRP O O -2.853 3.847 0.714 1.00 . A A . 7 TRP O 1 1 17 7105 1 1 8 ALA C C 0.460 4.015 2.476 1.00 . A A . 8 ALA C 1 1 17 7106 1 1 8 ALA CA C -0.783 4.872 2.269 1.00 . A A . 8 ALA CA 1 1 17 7107 1 1 8 ALA CB C -0.626 6.213 2.969 1.00 . A A . 8 ALA CB 1 1 17 7108 1 1 8 ALA H H -2.079 4.040 3.724 1.00 . A A . 8 ALA H 1 1 17 7109 1 1 8 ALA HA H -0.913 5.054 1.211 1.00 . A A . 8 ALA HA 1 1 17 7110 1 1 8 ALA HB1 H -1.514 6.808 2.811 1.00 . A A . 8 ALA HB1 1 1 17 7111 1 1 8 ALA HB2 H 0.231 6.733 2.565 1.00 . A A . 8 ALA HB2 1 1 17 7112 1 1 8 ALA HB3 H -0.483 6.054 4.028 1.00 . A A . 8 ALA HB3 1 1 17 7113 1 1 8 ALA N N -1.969 4.180 2.759 1.00 . A A . 8 ALA N 1 1 17 7114 1 1 8 ALA O O 0.816 3.682 3.606 1.00 . A A . 8 ALA O 1 1 17 7115 1 1 9 CYS C C 3.463 3.561 2.092 1.00 . A A . 9 CYS C 1 1 17 7116 1 1 9 CYS CA C 2.305 2.825 1.437 1.00 . A A . 9 CYS CA 1 1 17 7117 1 1 9 CYS CB C 2.703 2.375 0.035 1.00 . A A . 9 CYS CB 1 1 17 7118 1 1 9 CYS H H 0.779 3.947 0.506 1.00 . A A . 9 CYS H 1 1 17 7119 1 1 9 CYS HA H 2.070 1.955 2.028 1.00 . A A . 9 CYS HA 1 1 17 7120 1 1 9 CYS HB2 H 1.819 2.065 -0.502 1.00 . A A . 9 CYS HB2 1 1 17 7121 1 1 9 CYS HB3 H 3.161 3.205 -0.483 1.00 . A A . 9 CYS HB3 1 1 17 7122 1 1 9 CYS N N 1.110 3.653 1.378 1.00 . A A . 9 CYS N 1 1 17 7123 1 1 9 CYS O O 3.460 4.789 2.187 1.00 . A A . 9 CYS O 1 1 17 7124 1 1 9 CYS SG S 3.874 0.995 0.009 1.00 . A A . 9 CYS SG 1 1 17 7125 1 1 10 GLN C C 6.894 3.027 2.380 1.00 . A A . 10 GLN C 1 1 17 7126 1 1 10 GLN CA C 5.633 3.378 3.165 1.00 . A A . 10 GLN CA 1 1 17 7127 1 1 10 GLN CB C 5.757 2.885 4.608 1.00 . A A . 10 GLN CB 1 1 17 7128 1 1 10 GLN CD C 4.360 0.826 5.040 1.00 . A A . 10 GLN CD 1 1 17 7129 1 1 10 GLN CG C 5.742 1.371 4.737 1.00 . A A . 10 GLN CG 1 1 17 7130 1 1 10 GLN H H 4.405 1.830 2.420 1.00 . A A . 10 GLN H 1 1 17 7131 1 1 10 GLN HA H 5.509 4.451 3.166 1.00 . A A . 10 GLN HA 1 1 17 7132 1 1 10 GLN HB2 H 6.686 3.251 5.022 1.00 . A A . 10 GLN HB2 1 1 17 7133 1 1 10 GLN HB3 H 4.935 3.283 5.184 1.00 . A A . 10 GLN HB3 1 1 17 7134 1 1 10 GLN HE21 H 4.275 -0.026 3.246 1.00 . A A . 10 GLN HE21 1 1 17 7135 1 1 10 GLN HE22 H 2.889 -0.256 4.252 1.00 . A A . 10 GLN HE22 1 1 17 7136 1 1 10 GLN HG2 H 6.086 0.939 3.809 1.00 . A A . 10 GLN HG2 1 1 17 7137 1 1 10 GLN HG3 H 6.410 1.084 5.537 1.00 . A A . 10 GLN HG3 1 1 17 7138 1 1 10 GLN N N 4.459 2.801 2.531 1.00 . A A . 10 GLN N 1 1 17 7139 1 1 10 GLN NE2 N 3.783 0.109 4.083 1.00 . A A . 10 GLN NE2 1 1 17 7140 1 1 10 GLN O O 7.966 2.843 2.957 1.00 . A A . 10 GLN O 1 1 17 7141 1 1 10 GLN OE1 O 3.817 1.046 6.123 1.00 . A A . 10 GLN OE1 1 1 17 7142 1 1 11 HIS C C 7.839 3.520 -1.041 1.00 . A A . 11 HIS C 1 1 17 7143 1 1 11 HIS CA C 7.884 2.627 0.188 1.00 . A A . 11 HIS CA 1 1 17 7144 1 1 11 HIS CB C 7.845 1.154 -0.226 1.00 . A A . 11 HIS CB 1 1 17 7145 1 1 11 HIS CD2 C 9.857 0.497 -1.720 1.00 . A A . 11 HIS CD2 1 1 17 7146 1 1 11 HIS CE1 C 11.129 -0.387 -0.168 1.00 . A A . 11 HIS CE1 1 1 17 7147 1 1 11 HIS CG C 9.190 0.588 -0.545 1.00 . A A . 11 HIS CG 1 1 17 7148 1 1 11 HIS H H 5.879 3.110 0.652 1.00 . A A . 11 HIS H 1 1 17 7149 1 1 11 HIS HA H 8.796 2.822 0.733 1.00 . A A . 11 HIS HA 1 1 17 7150 1 1 11 HIS HB2 H 7.422 0.572 0.579 1.00 . A A . 11 HIS HB2 1 1 17 7151 1 1 11 HIS HB3 H 7.224 1.052 -1.103 1.00 . A A . 11 HIS HB3 1 1 17 7152 1 1 11 HIS HD1 H 9.811 -0.061 1.362 1.00 . A A . 11 HIS HD1 1 1 17 7153 1 1 11 HIS HD2 H 9.511 0.839 -2.684 1.00 . A A . 11 HIS HD2 1 1 17 7154 1 1 11 HIS HE1 H 11.961 -0.868 0.332 1.00 . A A . 11 HIS HE1 1 1 17 7155 1 1 11 HIS HE2 H 11.788 -0.235 -2.101 1.00 . A A . 11 HIS HE2 1 1 17 7156 1 1 11 HIS N N 6.760 2.945 1.058 1.00 . A A . 11 HIS N 1 1 17 7157 1 1 11 HIS ND1 N 10.010 0.026 0.406 1.00 . A A . 11 HIS ND1 1 1 17 7158 1 1 11 HIS NE2 N 11.057 -0.112 -1.457 1.00 . A A . 11 HIS NE2 1 1 17 7159 1 1 11 HIS O O 8.755 4.303 -1.290 1.00 . A A . 11 HIS O 1 1 17 7160 1 1 12 CYS C C 5.960 5.572 -2.553 1.00 . A A . 12 CYS C 1 1 17 7161 1 1 12 CYS CA C 6.546 4.229 -2.962 1.00 . A A . 12 CYS CA 1 1 17 7162 1 1 12 CYS CB C 5.612 3.519 -3.933 1.00 . A A . 12 CYS CB 1 1 17 7163 1 1 12 CYS H H 6.043 2.794 -1.523 1.00 . A A . 12 CYS H 1 1 17 7164 1 1 12 CYS HA H 7.505 4.386 -3.434 1.00 . A A . 12 CYS HA 1 1 17 7165 1 1 12 CYS HB2 H 5.338 4.207 -4.697 1.00 . A A . 12 CYS HB2 1 1 17 7166 1 1 12 CYS HB3 H 6.128 2.679 -4.375 1.00 . A A . 12 CYS HB3 1 1 17 7167 1 1 12 CYS N N 6.746 3.416 -1.785 1.00 . A A . 12 CYS N 1 1 17 7168 1 1 12 CYS O O 6.254 6.602 -3.154 1.00 . A A . 12 CYS O 1 1 17 7169 1 1 12 CYS SG S 4.082 2.904 -3.196 1.00 . A A . 12 CYS SG 1 1 17 7170 1 1 13 THR C C 3.247 7.118 -1.760 1.00 . A A . 13 THR C 1 1 17 7171 1 1 13 THR CA C 4.480 6.721 -0.953 1.00 . A A . 13 THR CA 1 1 17 7172 1 1 13 THR CB C 5.474 7.892 -0.831 1.00 . A A . 13 THR CB 1 1 17 7173 1 1 13 THR CG2 C 5.523 8.820 -2.033 1.00 . A A . 13 THR CG2 1 1 17 7174 1 1 13 THR H H 4.959 4.662 -1.087 1.00 . A A . 13 THR H 1 1 17 7175 1 1 13 THR HA H 4.150 6.456 0.041 1.00 . A A . 13 THR HA 1 1 17 7176 1 1 13 THR HB H 6.464 7.484 -0.690 1.00 . A A . 13 THR HB 1 1 17 7177 1 1 13 THR HG1 H 5.852 8.583 0.962 1.00 . A A . 13 THR HG1 1 1 17 7178 1 1 13 THR HG21 H 6.552 9.002 -2.304 1.00 . A A . 13 THR HG21 1 1 17 7179 1 1 13 THR HG22 H 5.046 9.756 -1.784 1.00 . A A . 13 THR HG22 1 1 17 7180 1 1 13 THR HG23 H 5.007 8.364 -2.865 1.00 . A A . 13 THR HG23 1 1 17 7181 1 1 13 THR N N 5.132 5.531 -1.508 1.00 . A A . 13 THR N 1 1 17 7182 1 1 13 THR O O 2.964 8.302 -1.951 1.00 . A A . 13 THR O 1 1 17 7183 1 1 13 THR OG1 O 5.165 8.686 0.299 1.00 . A A . 13 THR OG1 1 1 17 7184 1 1 14 PHE C C 0.088 5.779 -2.260 1.00 . A A . 14 PHE C 1 1 17 7185 1 1 14 PHE CA C 1.294 6.356 -2.980 1.00 . A A . 14 PHE CA 1 1 17 7186 1 1 14 PHE CB C 1.414 5.735 -4.370 1.00 . A A . 14 PHE CB 1 1 17 7187 1 1 14 PHE CD1 C -0.076 7.312 -5.631 1.00 . A A . 14 PHE CD1 1 1 17 7188 1 1 14 PHE CD2 C -0.545 4.977 -5.742 1.00 . A A . 14 PHE CD2 1 1 17 7189 1 1 14 PHE CE1 C -1.154 7.571 -6.456 1.00 . A A . 14 PHE CE1 1 1 17 7190 1 1 14 PHE CE2 C -1.626 5.229 -6.566 1.00 . A A . 14 PHE CE2 1 1 17 7191 1 1 14 PHE CG C 0.240 6.013 -5.266 1.00 . A A . 14 PHE CG 1 1 17 7192 1 1 14 PHE CZ C -1.930 6.529 -6.924 1.00 . A A . 14 PHE CZ 1 1 17 7193 1 1 14 PHE H H 2.766 5.199 -2.020 1.00 . A A . 14 PHE H 1 1 17 7194 1 1 14 PHE HA H 1.165 7.422 -3.082 1.00 . A A . 14 PHE HA 1 1 17 7195 1 1 14 PHE HB2 H 2.292 6.124 -4.850 1.00 . A A . 14 PHE HB2 1 1 17 7196 1 1 14 PHE HB3 H 1.509 4.665 -4.269 1.00 . A A . 14 PHE HB3 1 1 17 7197 1 1 14 PHE HD1 H 0.531 8.128 -5.266 1.00 . A A . 14 PHE HD1 1 1 17 7198 1 1 14 PHE HD2 H -0.308 3.961 -5.462 1.00 . A A . 14 PHE HD2 1 1 17 7199 1 1 14 PHE HE1 H -1.391 8.588 -6.733 1.00 . A A . 14 PHE HE1 1 1 17 7200 1 1 14 PHE HE2 H -2.230 4.413 -6.930 1.00 . A A . 14 PHE HE2 1 1 17 7201 1 1 14 PHE HZ H -2.774 6.729 -7.569 1.00 . A A . 14 PHE HZ 1 1 17 7202 1 1 14 PHE N N 2.503 6.119 -2.214 1.00 . A A . 14 PHE N 1 1 17 7203 1 1 14 PHE O O 0.224 4.968 -1.343 1.00 . A A . 14 PHE O 1 1 17 7204 1 1 15 MET C C -2.741 4.413 -2.759 1.00 . A A . 15 MET C 1 1 17 7205 1 1 15 MET CA C -2.329 5.712 -2.099 1.00 . A A . 15 MET CA 1 1 17 7206 1 1 15 MET CB C -3.438 6.757 -2.238 1.00 . A A . 15 MET CB 1 1 17 7207 1 1 15 MET CE C -5.762 8.160 0.911 1.00 . A A . 15 MET CE 1 1 17 7208 1 1 15 MET CG C -4.412 6.771 -1.071 1.00 . A A . 15 MET CG 1 1 17 7209 1 1 15 MET H H -1.122 6.831 -3.427 1.00 . A A . 15 MET H 1 1 17 7210 1 1 15 MET HA H -2.148 5.517 -1.050 1.00 . A A . 15 MET HA 1 1 17 7211 1 1 15 MET HB2 H -2.987 7.736 -2.315 1.00 . A A . 15 MET HB2 1 1 17 7212 1 1 15 MET HB3 H -3.996 6.555 -3.141 1.00 . A A . 15 MET HB3 1 1 17 7213 1 1 15 MET HE1 H -5.171 8.664 1.660 1.00 . A A . 15 MET HE1 1 1 17 7214 1 1 15 MET HE2 H -5.789 7.102 1.125 1.00 . A A . 15 MET HE2 1 1 17 7215 1 1 15 MET HE3 H -6.767 8.555 0.919 1.00 . A A . 15 MET HE3 1 1 17 7216 1 1 15 MET HG2 H -5.249 6.133 -1.310 1.00 . A A . 15 MET HG2 1 1 17 7217 1 1 15 MET HG3 H -3.908 6.388 -0.196 1.00 . A A . 15 MET HG3 1 1 17 7218 1 1 15 MET N N -1.090 6.193 -2.689 1.00 . A A . 15 MET N 1 1 17 7219 1 1 15 MET O O -2.415 4.161 -3.918 1.00 . A A . 15 MET O 1 1 17 7220 1 1 15 MET SD S -5.032 8.424 -0.703 1.00 . A A . 15 MET SD 1 1 17 7221 1 1 16 ASN C C -5.247 1.915 -2.056 1.00 . A A . 16 ASN C 1 1 17 7222 1 1 16 ASN CA C -3.833 2.279 -2.507 1.00 . A A . 16 ASN CA 1 1 17 7223 1 1 16 ASN CB C -2.837 1.242 -2.017 1.00 . A A . 16 ASN CB 1 1 17 7224 1 1 16 ASN CG C -2.622 0.126 -3.010 1.00 . A A . 16 ASN CG 1 1 17 7225 1 1 16 ASN H H -3.627 3.813 -1.075 1.00 . A A . 16 ASN H 1 1 17 7226 1 1 16 ASN HA H -3.804 2.313 -3.585 1.00 . A A . 16 ASN HA 1 1 17 7227 1 1 16 ASN HB2 H -1.888 1.725 -1.839 1.00 . A A . 16 ASN HB2 1 1 17 7228 1 1 16 ASN HB3 H -3.196 0.827 -1.095 1.00 . A A . 16 ASN HB3 1 1 17 7229 1 1 16 ASN HD21 H -1.234 1.202 -3.945 1.00 . A A . 16 ASN HD21 1 1 17 7230 1 1 16 ASN HD22 H -1.551 -0.359 -4.613 1.00 . A A . 16 ASN HD22 1 1 17 7231 1 1 16 ASN N N -3.423 3.572 -2.002 1.00 . A A . 16 ASN N 1 1 17 7232 1 1 16 ASN ND2 N -1.710 0.344 -3.950 1.00 . A A . 16 ASN ND2 1 1 17 7233 1 1 16 ASN O O -5.681 2.299 -0.973 1.00 . A A . 16 ASN O 1 1 17 7234 1 1 16 ASN OD1 O -3.263 -0.917 -2.934 1.00 . A A . 16 ASN OD1 1 1 17 7235 1 1 17 GLN C C -7.360 -0.179 -1.382 1.00 . A A . 17 GLN C 1 1 17 7236 1 1 17 GLN CA C -7.319 0.750 -2.595 1.00 . A A . 17 GLN CA 1 1 17 7237 1 1 17 GLN CB C -7.927 0.059 -3.806 1.00 . A A . 17 GLN CB 1 1 17 7238 1 1 17 GLN CD C -9.914 1.563 -4.218 1.00 . A A . 17 GLN CD 1 1 17 7239 1 1 17 GLN CG C -8.614 1.013 -4.767 1.00 . A A . 17 GLN CG 1 1 17 7240 1 1 17 GLN H H -5.552 0.892 -3.748 1.00 . A A . 17 GLN H 1 1 17 7241 1 1 17 GLN HA H -7.893 1.629 -2.380 1.00 . A A . 17 GLN HA 1 1 17 7242 1 1 17 GLN HB2 H -7.143 -0.441 -4.335 1.00 . A A . 17 GLN HB2 1 1 17 7243 1 1 17 GLN HB3 H -8.651 -0.669 -3.472 1.00 . A A . 17 GLN HB3 1 1 17 7244 1 1 17 GLN HE21 H -8.973 3.182 -3.549 1.00 . A A . 17 GLN HE21 1 1 17 7245 1 1 17 GLN HE22 H -10.670 3.121 -3.242 1.00 . A A . 17 GLN HE22 1 1 17 7246 1 1 17 GLN HG2 H -7.949 1.839 -4.970 1.00 . A A . 17 GLN HG2 1 1 17 7247 1 1 17 GLN HG3 H -8.821 0.488 -5.687 1.00 . A A . 17 GLN HG3 1 1 17 7248 1 1 17 GLN N N -5.956 1.168 -2.898 1.00 . A A . 17 GLN N 1 1 17 7249 1 1 17 GLN NE2 N -9.846 2.741 -3.608 1.00 . A A . 17 GLN NE2 1 1 17 7250 1 1 17 GLN O O -6.332 -0.713 -0.964 1.00 . A A . 17 GLN O 1 1 17 7251 1 1 17 GLN OE1 O -10.967 0.937 -4.339 1.00 . A A . 17 GLN OE1 1 1 17 7252 1 1 18 PRO C C -8.646 -2.731 0.053 1.00 . A A . 18 PRO C 1 1 17 7253 1 1 18 PRO CA C -8.727 -1.240 0.383 1.00 . A A . 18 PRO CA 1 1 17 7254 1 1 18 PRO CB C -10.129 -0.883 0.872 1.00 . A A . 18 PRO CB 1 1 17 7255 1 1 18 PRO CD C -9.830 0.227 -1.225 1.00 . A A . 18 PRO CD 1 1 17 7256 1 1 18 PRO CG C -10.854 -0.446 -0.352 1.00 . A A . 18 PRO CG 1 1 17 7257 1 1 18 PRO HA H -8.006 -1.006 1.151 1.00 . A A . 18 PRO HA 1 1 17 7258 1 1 18 PRO HB2 H -10.590 -1.753 1.318 1.00 . A A . 18 PRO HB2 1 1 17 7259 1 1 18 PRO HB3 H -10.069 -0.087 1.599 1.00 . A A . 18 PRO HB3 1 1 17 7260 1 1 18 PRO HD2 H -10.026 0.016 -2.266 1.00 . A A . 18 PRO HD2 1 1 17 7261 1 1 18 PRO HD3 H -9.828 1.292 -1.050 1.00 . A A . 18 PRO HD3 1 1 17 7262 1 1 18 PRO HG2 H -11.271 -1.306 -0.858 1.00 . A A . 18 PRO HG2 1 1 17 7263 1 1 18 PRO HG3 H -11.636 0.250 -0.087 1.00 . A A . 18 PRO HG3 1 1 17 7264 1 1 18 PRO N N -8.554 -0.379 -0.795 1.00 . A A . 18 PRO N 1 1 17 7265 1 1 18 PRO O O -8.695 -3.572 0.951 1.00 . A A . 18 PRO O 1 1 17 7266 1 1 19 GLY C C -7.047 -4.841 -2.079 1.00 . A A . 19 GLY C 1 1 17 7267 1 1 19 GLY CA C -8.443 -4.448 -1.635 1.00 . A A . 19 GLY CA 1 1 17 7268 1 1 19 GLY H H -8.491 -2.348 -1.907 1.00 . A A . 19 GLY H 1 1 17 7269 1 1 19 GLY HA2 H -8.732 -5.071 -0.802 1.00 . A A . 19 GLY HA2 1 1 17 7270 1 1 19 GLY HA3 H -9.130 -4.615 -2.451 1.00 . A A . 19 GLY HA3 1 1 17 7271 1 1 19 GLY N N -8.525 -3.056 -1.230 1.00 . A A . 19 GLY N 1 1 17 7272 1 1 19 GLY O O -6.708 -6.024 -2.111 1.00 . A A . 19 GLY O 1 1 17 7273 1 1 20 THR C C -3.889 -3.961 -1.721 1.00 . A A . 20 THR C 1 1 17 7274 1 1 20 THR CA C -4.875 -4.083 -2.872 1.00 . A A . 20 THR CA 1 1 17 7275 1 1 20 THR CB C -4.503 -3.090 -3.968 1.00 . A A . 20 THR CB 1 1 17 7276 1 1 20 THR CG2 C -4.695 -3.641 -5.356 1.00 . A A . 20 THR CG2 1 1 17 7277 1 1 20 THR H H -6.572 -2.924 -2.378 1.00 . A A . 20 THR H 1 1 17 7278 1 1 20 THR HA H -4.816 -5.083 -3.274 1.00 . A A . 20 THR HA 1 1 17 7279 1 1 20 THR HB H -3.461 -2.827 -3.860 1.00 . A A . 20 THR HB 1 1 17 7280 1 1 20 THR HG1 H -6.184 -2.101 -4.121 1.00 . A A . 20 THR HG1 1 1 17 7281 1 1 20 THR HG21 H -3.879 -3.318 -5.984 1.00 . A A . 20 THR HG21 1 1 17 7282 1 1 20 THR HG22 H -5.627 -3.275 -5.758 1.00 . A A . 20 THR HG22 1 1 17 7283 1 1 20 THR HG23 H -4.715 -4.719 -5.314 1.00 . A A . 20 THR HG23 1 1 17 7284 1 1 20 THR N N -6.240 -3.845 -2.425 1.00 . A A . 20 THR N 1 1 17 7285 1 1 20 THR O O -3.156 -2.979 -1.627 1.00 . A A . 20 THR O 1 1 17 7286 1 1 20 THR OG1 O -5.279 -1.911 -3.863 1.00 . A A . 20 THR OG1 1 1 17 7287 1 1 21 GLY C C -1.504 -4.788 -0.223 1.00 . A A . 21 GLY C 1 1 17 7288 1 1 21 GLY CA C -2.931 -4.934 0.255 1.00 . A A . 21 GLY CA 1 1 17 7289 1 1 21 GLY H H -4.453 -5.734 -0.981 1.00 . A A . 21 GLY H 1 1 17 7290 1 1 21 GLY HA2 H -3.175 -4.098 0.895 1.00 . A A . 21 GLY HA2 1 1 17 7291 1 1 21 GLY HA3 H -3.019 -5.844 0.817 1.00 . A A . 21 GLY HA3 1 1 17 7292 1 1 21 GLY N N -3.858 -4.966 -0.857 1.00 . A A . 21 GLY N 1 1 17 7293 1 1 21 GLY O O -0.666 -4.199 0.456 1.00 . A A . 21 GLY O 1 1 17 7294 1 1 22 HIS C C 0.364 -3.773 -2.403 1.00 . A A . 22 HIS C 1 1 17 7295 1 1 22 HIS CA C 0.094 -5.219 -1.992 1.00 . A A . 22 HIS CA 1 1 17 7296 1 1 22 HIS CB C 0.234 -6.175 -3.180 1.00 . A A . 22 HIS CB 1 1 17 7297 1 1 22 HIS CD2 C 1.408 -8.474 -2.923 1.00 . A A . 22 HIS CD2 1 1 17 7298 1 1 22 HIS CE1 C -0.217 -9.552 -1.922 1.00 . A A . 22 HIS CE1 1 1 17 7299 1 1 22 HIS CG C 0.375 -7.611 -2.779 1.00 . A A . 22 HIS CG 1 1 17 7300 1 1 22 HIS H H -1.948 -5.755 -1.920 1.00 . A A . 22 HIS H 1 1 17 7301 1 1 22 HIS HA H 0.800 -5.497 -1.224 1.00 . A A . 22 HIS HA 1 1 17 7302 1 1 22 HIS HB2 H -0.640 -6.090 -3.807 1.00 . A A . 22 HIS HB2 1 1 17 7303 1 1 22 HIS HB3 H 1.109 -5.902 -3.752 1.00 . A A . 22 HIS HB3 1 1 17 7304 1 1 22 HIS HD1 H -1.510 -7.967 -1.905 1.00 . A A . 22 HIS HD1 1 1 17 7305 1 1 22 HIS HD2 H 2.365 -8.259 -3.378 1.00 . A A . 22 HIS HD2 1 1 17 7306 1 1 22 HIS HE1 H -0.791 -10.332 -1.442 1.00 . A A . 22 HIS HE1 1 1 17 7307 1 1 22 HIS HE2 H 1.524 -10.509 -2.419 1.00 . A A . 22 HIS HE2 1 1 17 7308 1 1 22 HIS N N -1.234 -5.312 -1.414 1.00 . A A . 22 HIS N 1 1 17 7309 1 1 22 HIS ND1 N -0.628 -8.318 -2.149 1.00 . A A . 22 HIS ND1 1 1 17 7310 1 1 22 HIS NE2 N 1.014 -9.673 -2.382 1.00 . A A . 22 HIS NE2 1 1 17 7311 1 1 22 HIS O O 0.518 -2.913 -1.545 1.00 . A A . 22 HIS O 1 1 17 7312 1 1 23 CYS C C 0.783 -2.086 -5.689 1.00 . A A . 23 CYS C 1 1 17 7313 1 1 23 CYS CA C 0.631 -2.134 -4.175 1.00 . A A . 23 CYS CA 1 1 17 7314 1 1 23 CYS CB C 1.869 -1.527 -3.519 1.00 . A A . 23 CYS CB 1 1 17 7315 1 1 23 CYS H H 0.269 -4.202 -4.352 1.00 . A A . 23 CYS H 1 1 17 7316 1 1 23 CYS HA H -0.229 -1.546 -3.898 1.00 . A A . 23 CYS HA 1 1 17 7317 1 1 23 CYS HB2 H 2.215 -2.179 -2.738 1.00 . A A . 23 CYS HB2 1 1 17 7318 1 1 23 CYS HB3 H 2.642 -1.429 -4.258 1.00 . A A . 23 CYS HB3 1 1 17 7319 1 1 23 CYS N N 0.404 -3.492 -3.703 1.00 . A A . 23 CYS N 1 1 17 7320 1 1 23 CYS O O 1.241 -3.043 -6.312 1.00 . A A . 23 CYS O 1 1 17 7321 1 1 23 CYS SG S 1.583 0.105 -2.800 1.00 . A A . 23 CYS SG 1 1 17 7322 1 1 24 GLU C C 1.697 0.163 -8.016 1.00 . A A . 24 GLU C 1 1 17 7323 1 1 24 GLU CA C 0.518 -0.752 -7.703 1.00 . A A . 24 GLU CA 1 1 17 7324 1 1 24 GLU CB C -0.778 -0.153 -8.257 1.00 . A A . 24 GLU CB 1 1 17 7325 1 1 24 GLU CD C -3.086 -1.016 -8.812 1.00 . A A . 24 GLU CD 1 1 17 7326 1 1 24 GLU CG C -1.599 -1.136 -9.077 1.00 . A A . 24 GLU CG 1 1 17 7327 1 1 24 GLU H H 0.067 -0.223 -5.709 1.00 . A A . 24 GLU H 1 1 17 7328 1 1 24 GLU HA H 0.688 -1.714 -8.162 1.00 . A A . 24 GLU HA 1 1 17 7329 1 1 24 GLU HB2 H -1.384 0.187 -7.431 1.00 . A A . 24 GLU HB2 1 1 17 7330 1 1 24 GLU HB3 H -0.534 0.691 -8.886 1.00 . A A . 24 GLU HB3 1 1 17 7331 1 1 24 GLU HG2 H -1.420 -0.948 -10.126 1.00 . A A . 24 GLU HG2 1 1 17 7332 1 1 24 GLU HG3 H -1.284 -2.140 -8.833 1.00 . A A . 24 GLU HG3 1 1 17 7333 1 1 24 GLU N N 0.410 -0.952 -6.267 1.00 . A A . 24 GLU N 1 1 17 7334 1 1 24 GLU O O 1.719 0.837 -9.045 1.00 . A A . 24 GLU O 1 1 17 7335 1 1 24 GLU OE1 O -3.676 0.018 -9.191 1.00 . A A . 24 GLU OE1 1 1 17 7336 1 1 24 GLU OE2 O -3.662 -1.956 -8.225 1.00 . A A . 24 GLU OE2 1 1 17 7337 1 1 25 MET C C 5.112 0.181 -6.998 1.00 . A A . 25 MET C 1 1 17 7338 1 1 25 MET CA C 3.864 0.999 -7.290 1.00 . A A . 25 MET CA 1 1 17 7339 1 1 25 MET CB C 3.806 2.220 -6.369 1.00 . A A . 25 MET CB 1 1 17 7340 1 1 25 MET CE C 4.850 3.950 -9.271 1.00 . A A . 25 MET CE 1 1 17 7341 1 1 25 MET CG C 3.266 3.468 -7.048 1.00 . A A . 25 MET CG 1 1 17 7342 1 1 25 MET H H 2.609 -0.387 -6.315 1.00 . A A . 25 MET H 1 1 17 7343 1 1 25 MET HA H 3.893 1.331 -8.316 1.00 . A A . 25 MET HA 1 1 17 7344 1 1 25 MET HB2 H 3.169 1.991 -5.527 1.00 . A A . 25 MET HB2 1 1 17 7345 1 1 25 MET HB3 H 4.801 2.434 -6.009 1.00 . A A . 25 MET HB3 1 1 17 7346 1 1 25 MET HE1 H 5.362 4.699 -9.856 1.00 . A A . 25 MET HE1 1 1 17 7347 1 1 25 MET HE2 H 3.899 3.719 -9.723 1.00 . A A . 25 MET HE2 1 1 17 7348 1 1 25 MET HE3 H 5.454 3.055 -9.224 1.00 . A A . 25 MET HE3 1 1 17 7349 1 1 25 MET HG2 H 2.673 3.171 -7.901 1.00 . A A . 25 MET HG2 1 1 17 7350 1 1 25 MET HG3 H 2.642 4.003 -6.346 1.00 . A A . 25 MET HG3 1 1 17 7351 1 1 25 MET N N 2.680 0.176 -7.116 1.00 . A A . 25 MET N 1 1 17 7352 1 1 25 MET O O 5.959 -0.007 -7.872 1.00 . A A . 25 MET O 1 1 17 7353 1 1 25 MET SD S 4.576 4.571 -7.613 1.00 . A A . 25 MET SD 1 1 17 7354 1 1 26 CYS C C 6.153 -2.580 -5.766 1.00 . A A . 26 CYS C 1 1 17 7355 1 1 26 CYS CA C 6.362 -1.118 -5.385 1.00 . A A . 26 CYS CA 1 1 17 7356 1 1 26 CYS CB C 6.612 -1.000 -3.885 1.00 . A A . 26 CYS CB 1 1 17 7357 1 1 26 CYS H H 4.518 -0.140 -5.105 1.00 . A A . 26 CYS H 1 1 17 7358 1 1 26 CYS HA H 7.224 -0.740 -5.914 1.00 . A A . 26 CYS HA 1 1 17 7359 1 1 26 CYS HB2 H 7.264 -1.790 -3.592 1.00 . A A . 26 CYS HB2 1 1 17 7360 1 1 26 CYS HB3 H 7.084 -0.051 -3.677 1.00 . A A . 26 CYS HB3 1 1 17 7361 1 1 26 CYS N N 5.221 -0.314 -5.768 1.00 . A A . 26 CYS N 1 1 17 7362 1 1 26 CYS O O 7.030 -3.201 -6.366 1.00 . A A . 26 CYS O 1 1 17 7363 1 1 26 CYS SG S 5.136 -1.121 -2.853 1.00 . A A . 26 CYS SG 1 1 17 7364 1 1 27 SER C C 4.955 -5.354 -4.423 1.00 . A A . 27 SER C 1 1 17 7365 1 1 27 SER CA C 4.644 -4.527 -5.653 1.00 . A A . 27 SER CA 1 1 17 7366 1 1 27 SER CB C 5.391 -5.081 -6.866 1.00 . A A . 27 SER CB 1 1 17 7367 1 1 27 SER H H 4.352 -2.578 -4.887 1.00 . A A . 27 SER H 1 1 17 7368 1 1 27 SER HA H 3.584 -4.572 -5.843 1.00 . A A . 27 SER HA 1 1 17 7369 1 1 27 SER HB2 H 5.410 -4.334 -7.643 1.00 . A A . 27 SER HB2 1 1 17 7370 1 1 27 SER HB3 H 6.399 -5.331 -6.577 1.00 . A A . 27 SER HB3 1 1 17 7371 1 1 27 SER HG H 3.990 -5.994 -7.887 1.00 . A A . 27 SER HG 1 1 17 7372 1 1 27 SER N N 4.991 -3.127 -5.387 1.00 . A A . 27 SER N 1 1 17 7373 1 1 27 SER O O 5.402 -6.498 -4.508 1.00 . A A . 27 SER O 1 1 17 7374 1 1 27 SER OG O 4.758 -6.245 -7.369 1.00 . A A . 27 SER OG 1 1 17 7375 1 1 28 LEU C C 3.704 -5.419 -1.177 1.00 . A A . 28 LEU C 1 1 17 7376 1 1 28 LEU CA C 4.988 -5.343 -1.995 1.00 . A A . 28 LEU CA 1 1 17 7377 1 1 28 LEU CB C 6.025 -4.504 -1.267 1.00 . A A . 28 LEU CB 1 1 17 7378 1 1 28 LEU CD1 C 8.420 -3.970 -0.780 1.00 . A A . 28 LEU CD1 1 1 17 7379 1 1 28 LEU CD2 C 7.660 -6.351 -0.790 1.00 . A A . 28 LEU CD2 1 1 17 7380 1 1 28 LEU CG C 7.467 -4.974 -1.410 1.00 . A A . 28 LEU CG 1 1 17 7381 1 1 28 LEU H H 4.391 -3.820 -3.291 1.00 . A A . 28 LEU H 1 1 17 7382 1 1 28 LEU HA H 5.375 -6.336 -2.152 1.00 . A A . 28 LEU HA 1 1 17 7383 1 1 28 LEU HB2 H 5.962 -3.502 -1.651 1.00 . A A . 28 LEU HB2 1 1 17 7384 1 1 28 LEU HB3 H 5.769 -4.477 -0.234 1.00 . A A . 28 LEU HB3 1 1 17 7385 1 1 28 LEU HD11 H 8.734 -3.253 -1.525 1.00 . A A . 28 LEU HD11 1 1 17 7386 1 1 28 LEU HD12 H 9.290 -4.489 -0.394 1.00 . A A . 28 LEU HD12 1 1 17 7387 1 1 28 LEU HD13 H 7.919 -3.456 0.027 1.00 . A A . 28 LEU HD13 1 1 17 7388 1 1 28 LEU HD21 H 7.641 -6.268 0.287 1.00 . A A . 28 LEU HD21 1 1 17 7389 1 1 28 LEU HD22 H 8.612 -6.757 -1.100 1.00 . A A . 28 LEU HD22 1 1 17 7390 1 1 28 LEU HD23 H 6.869 -7.008 -1.116 1.00 . A A . 28 LEU HD23 1 1 17 7391 1 1 28 LEU HG H 7.708 -5.044 -2.461 1.00 . A A . 28 LEU HG 1 1 17 7392 1 1 28 LEU N N 4.731 -4.734 -3.275 1.00 . A A . 28 LEU N 1 1 17 7393 1 1 28 LEU O O 2.693 -4.840 -1.555 1.00 . A A . 28 LEU O 1 1 17 7394 1 1 29 PRO C C 2.337 -5.064 1.713 1.00 . A A . 29 PRO C 1 1 17 7395 1 1 29 PRO CA C 2.575 -6.287 0.832 1.00 . A A . 29 PRO CA 1 1 17 7396 1 1 29 PRO CB C 2.949 -7.496 1.684 1.00 . A A . 29 PRO CB 1 1 17 7397 1 1 29 PRO CD C 4.918 -6.840 0.472 1.00 . A A . 29 PRO CD 1 1 17 7398 1 1 29 PRO CG C 4.438 -7.457 1.761 1.00 . A A . 29 PRO CG 1 1 17 7399 1 1 29 PRO HA H 1.679 -6.502 0.268 1.00 . A A . 29 PRO HA 1 1 17 7400 1 1 29 PRO HB2 H 2.499 -7.405 2.662 1.00 . A A . 29 PRO HB2 1 1 17 7401 1 1 29 PRO HB3 H 2.604 -8.400 1.204 1.00 . A A . 29 PRO HB3 1 1 17 7402 1 1 29 PRO HD2 H 5.722 -6.146 0.660 1.00 . A A . 29 PRO HD2 1 1 17 7403 1 1 29 PRO HD3 H 5.237 -7.605 -0.221 1.00 . A A . 29 PRO HD3 1 1 17 7404 1 1 29 PRO HG2 H 4.745 -6.851 2.601 1.00 . A A . 29 PRO HG2 1 1 17 7405 1 1 29 PRO HG3 H 4.826 -8.460 1.862 1.00 . A A . 29 PRO HG3 1 1 17 7406 1 1 29 PRO N N 3.737 -6.133 -0.044 1.00 . A A . 29 PRO N 1 1 17 7407 1 1 29 PRO O O 3.240 -4.253 1.925 1.00 . A A . 29 PRO O 1 1 17 7408 1 1 30 ARG C C 1.441 -3.939 4.454 1.00 . A A . 30 ARG C 1 1 17 7409 1 1 30 ARG CA C 0.761 -3.824 3.100 1.00 . A A . 30 ARG CA 1 1 17 7410 1 1 30 ARG CB C -0.756 -3.758 3.278 1.00 . A A . 30 ARG CB 1 1 17 7411 1 1 30 ARG CD C -2.841 -2.354 3.246 1.00 . A A . 30 ARG CD 1 1 17 7412 1 1 30 ARG CG C -1.322 -2.351 3.181 1.00 . A A . 30 ARG CG 1 1 17 7413 1 1 30 ARG CZ C -4.590 -3.713 4.329 1.00 . A A . 30 ARG CZ 1 1 17 7414 1 1 30 ARG H H 0.443 -5.624 2.037 1.00 . A A . 30 ARG H 1 1 17 7415 1 1 30 ARG HA H 1.101 -2.925 2.630 1.00 . A A . 30 ARG HA 1 1 17 7416 1 1 30 ARG HB2 H -1.219 -4.365 2.519 1.00 . A A . 30 ARG HB2 1 1 17 7417 1 1 30 ARG HB3 H -1.011 -4.158 4.245 1.00 . A A . 30 ARG HB3 1 1 17 7418 1 1 30 ARG HD2 H -3.182 -1.350 3.447 1.00 . A A . 30 ARG HD2 1 1 17 7419 1 1 30 ARG HD3 H -3.228 -2.681 2.292 1.00 . A A . 30 ARG HD3 1 1 17 7420 1 1 30 ARG HE H -2.724 -3.499 5.005 1.00 . A A . 30 ARG HE 1 1 17 7421 1 1 30 ARG HG2 H -0.938 -1.762 4.001 1.00 . A A . 30 ARG HG2 1 1 17 7422 1 1 30 ARG HG3 H -1.010 -1.913 2.245 1.00 . A A . 30 ARG HG3 1 1 17 7423 1 1 30 ARG HH11 H -5.183 -2.779 2.635 1.00 . A A . 30 ARG HH11 1 1 17 7424 1 1 30 ARG HH12 H -6.393 -3.741 3.416 1.00 . A A . 30 ARG HH12 1 1 17 7425 1 1 30 ARG HH21 H -4.314 -4.765 6.032 1.00 . A A . 30 ARG HH21 1 1 17 7426 1 1 30 ARG HH22 H -5.900 -4.869 5.344 1.00 . A A . 30 ARG HH22 1 1 17 7427 1 1 30 ARG N N 1.118 -4.941 2.233 1.00 . A A . 30 ARG N 1 1 17 7428 1 1 30 ARG NE N -3.345 -3.242 4.292 1.00 . A A . 30 ARG NE 1 1 17 7429 1 1 30 ARG NH1 N -5.460 -3.384 3.382 1.00 . A A . 30 ARG NH1 1 1 17 7430 1 1 30 ARG NH2 N -4.966 -4.515 5.316 1.00 . A A . 30 ARG NH2 1 1 17 7431 1 1 30 ARG O O 1.409 -3.011 5.263 1.00 . A A . 30 ARG O 1 1 17 7432 1 1 31 THR C C 3.949 -6.237 5.730 1.00 . A A . 31 THR C 1 1 17 7433 1 1 31 THR CA C 2.734 -5.338 5.948 1.00 . A A . 31 THR CA 1 1 17 7434 1 1 31 THR CB C 1.766 -5.981 6.945 1.00 . A A . 31 THR CB 1 1 17 7435 1 1 31 THR CG2 C 2.442 -6.533 8.184 1.00 . A A . 31 THR CG2 1 1 17 7436 1 1 31 THR H H 2.028 -5.780 4.009 1.00 . A A . 31 THR H 1 1 17 7437 1 1 31 THR HA H 3.065 -4.388 6.338 1.00 . A A . 31 THR HA 1 1 17 7438 1 1 31 THR HB H 1.254 -6.797 6.453 1.00 . A A . 31 THR HB 1 1 17 7439 1 1 31 THR HG1 H 1.229 -4.309 7.812 1.00 . A A . 31 THR HG1 1 1 17 7440 1 1 31 THR HG21 H 3.010 -5.749 8.664 1.00 . A A . 31 THR HG21 1 1 17 7441 1 1 31 THR HG22 H 3.106 -7.337 7.903 1.00 . A A . 31 THR HG22 1 1 17 7442 1 1 31 THR HG23 H 1.694 -6.905 8.867 1.00 . A A . 31 THR HG23 1 1 17 7443 1 1 31 THR N N 2.047 -5.085 4.694 1.00 . A A . 31 THR N 1 1 17 7444 1 1 31 THR O O 5.029 -5.763 5.377 1.00 . A A . 31 THR O 1 1 17 7445 1 1 31 THR OG1 O 0.794 -5.043 7.372 1.00 . A A . 31 THR OG1 1 1 17 7446 2 2 1 ZN ZN ZN 3.862 0.737 -2.400 1.00 . B A . 32 ZN ZN 1 1 18 7447 1 1 1 GLY C C -13.039 5.779 -5.082 1.00 . A A . 1 GLY C 1 1 18 7448 1 1 1 GLY CA C -13.207 5.792 -6.588 1.00 . A A . 1 GLY CA 1 1 18 7449 1 1 1 GLY H1 H -12.289 7.625 -6.991 1.00 . A A . 1 GLY H1 1 1 18 7450 1 1 1 GLY H2 H -12.285 6.554 -8.300 1.00 . A A . 1 GLY H2 1 1 18 7451 1 1 1 GLY H3 H -11.226 6.307 -7.004 1.00 . A A . 1 GLY H3 1 1 18 7452 1 1 1 GLY HA2 H -14.186 6.179 -6.826 1.00 . A A . 1 GLY HA2 1 1 18 7453 1 1 1 GLY HA3 H -13.133 4.780 -6.956 1.00 . A A . 1 GLY HA3 1 1 18 7454 1 1 1 GLY N N -12.180 6.628 -7.269 1.00 . A A . 1 GLY N 1 1 18 7455 1 1 1 GLY O O -12.148 6.437 -4.544 1.00 . A A . 1 GLY O 1 1 18 7456 1 1 2 SER C C -14.660 3.749 -2.444 1.00 . A A . 2 SER C 1 1 18 7457 1 1 2 SER CA C -13.840 4.934 -2.945 1.00 . A A . 2 SER CA 1 1 18 7458 1 1 2 SER CB C -14.349 6.227 -2.307 1.00 . A A . 2 SER CB 1 1 18 7459 1 1 2 SER H H -14.586 4.528 -4.883 1.00 . A A . 2 SER H 1 1 18 7460 1 1 2 SER HA H -12.808 4.786 -2.663 1.00 . A A . 2 SER HA 1 1 18 7461 1 1 2 SER HB2 H -14.033 7.070 -2.904 1.00 . A A . 2 SER HB2 1 1 18 7462 1 1 2 SER HB3 H -15.428 6.204 -2.261 1.00 . A A . 2 SER HB3 1 1 18 7463 1 1 2 SER HG H -13.740 7.319 -0.798 1.00 . A A . 2 SER HG 1 1 18 7464 1 1 2 SER N N -13.897 5.029 -4.398 1.00 . A A . 2 SER N 1 1 18 7465 1 1 2 SER O O -15.769 3.917 -1.938 1.00 . A A . 2 SER O 1 1 18 7466 1 1 2 SER OG O -13.840 6.385 -0.994 1.00 . A A . 2 SER OG 1 1 18 7467 1 1 3 THR C C -15.037 1.364 -0.649 1.00 . A A . 3 THR C 1 1 18 7468 1 1 3 THR CA C -14.786 1.335 -2.153 1.00 . A A . 3 THR CA 1 1 18 7469 1 1 3 THR CB C -13.959 0.102 -2.521 1.00 . A A . 3 THR CB 1 1 18 7470 1 1 3 THR CG2 C -12.628 0.037 -1.802 1.00 . A A . 3 THR CG2 1 1 18 7471 1 1 3 THR H H -13.219 2.478 -3.002 1.00 . A A . 3 THR H 1 1 18 7472 1 1 3 THR HA H -15.736 1.285 -2.663 1.00 . A A . 3 THR HA 1 1 18 7473 1 1 3 THR HB H -13.760 0.118 -3.583 1.00 . A A . 3 THR HB 1 1 18 7474 1 1 3 THR HG1 H -15.369 -1.213 -2.864 1.00 . A A . 3 THR HG1 1 1 18 7475 1 1 3 THR HG21 H -12.141 0.999 -1.855 1.00 . A A . 3 THR HG21 1 1 18 7476 1 1 3 THR HG22 H -12.002 -0.710 -2.269 1.00 . A A . 3 THR HG22 1 1 18 7477 1 1 3 THR HG23 H -12.791 -0.227 -0.767 1.00 . A A . 3 THR HG23 1 1 18 7478 1 1 3 THR N N -14.106 2.549 -2.590 1.00 . A A . 3 THR N 1 1 18 7479 1 1 3 THR O O -16.135 1.056 -0.186 1.00 . A A . 3 THR O 1 1 18 7480 1 1 3 THR OG1 O -14.669 -1.086 -2.220 1.00 . A A . 3 THR OG1 1 1 18 7481 1 1 4 SER C C -13.099 2.787 2.134 1.00 . A A . 4 SER C 1 1 18 7482 1 1 4 SER CA C -14.118 1.807 1.562 1.00 . A A . 4 SER CA 1 1 18 7483 1 1 4 SER CB C -13.912 0.421 2.177 1.00 . A A . 4 SER CB 1 1 18 7484 1 1 4 SER H H -13.161 1.969 -0.319 1.00 . A A . 4 SER H 1 1 18 7485 1 1 4 SER HA H -15.111 2.154 1.804 1.00 . A A . 4 SER HA 1 1 18 7486 1 1 4 SER HB2 H -13.188 -0.127 1.592 1.00 . A A . 4 SER HB2 1 1 18 7487 1 1 4 SER HB3 H -13.550 0.529 3.188 1.00 . A A . 4 SER HB3 1 1 18 7488 1 1 4 SER HG H -15.561 -0.182 3.047 1.00 . A A . 4 SER HG 1 1 18 7489 1 1 4 SER N N -14.010 1.736 0.109 1.00 . A A . 4 SER N 1 1 18 7490 1 1 4 SER O O -13.449 3.897 2.534 1.00 . A A . 4 SER O 1 1 18 7491 1 1 4 SER OG O -15.124 -0.313 2.201 1.00 . A A . 4 SER OG 1 1 18 7492 1 1 5 ALA C C -9.410 2.767 2.166 1.00 . A A . 5 ALA C 1 1 18 7493 1 1 5 ALA CA C -10.769 3.211 2.692 1.00 . A A . 5 ALA CA 1 1 18 7494 1 1 5 ALA CB C -10.777 3.192 4.212 1.00 . A A . 5 ALA CB 1 1 18 7495 1 1 5 ALA H H -11.621 1.474 1.835 1.00 . A A . 5 ALA H 1 1 18 7496 1 1 5 ALA HA H -10.955 4.225 2.367 1.00 . A A . 5 ALA HA 1 1 18 7497 1 1 5 ALA HB1 H -11.081 2.216 4.558 1.00 . A A . 5 ALA HB1 1 1 18 7498 1 1 5 ALA HB2 H -11.468 3.937 4.578 1.00 . A A . 5 ALA HB2 1 1 18 7499 1 1 5 ALA HB3 H -9.784 3.411 4.579 1.00 . A A . 5 ALA HB3 1 1 18 7500 1 1 5 ALA N N -11.838 2.370 2.169 1.00 . A A . 5 ALA N 1 1 18 7501 1 1 5 ALA O O -8.958 1.657 2.444 1.00 . A A . 5 ALA O 1 1 18 7502 1 1 6 MET C C -6.380 3.397 1.930 1.00 . A A . 6 MET C 1 1 18 7503 1 1 6 MET CA C -7.451 3.345 0.848 1.00 . A A . 6 MET CA 1 1 18 7504 1 1 6 MET CB C -7.123 4.348 -0.255 1.00 . A A . 6 MET CB 1 1 18 7505 1 1 6 MET CE C -9.542 5.646 -3.297 1.00 . A A . 6 MET CE 1 1 18 7506 1 1 6 MET CG C -8.008 4.219 -1.483 1.00 . A A . 6 MET CG 1 1 18 7507 1 1 6 MET H H -9.167 4.512 1.223 1.00 . A A . 6 MET H 1 1 18 7508 1 1 6 MET HA H -7.483 2.353 0.427 1.00 . A A . 6 MET HA 1 1 18 7509 1 1 6 MET HB2 H -7.235 5.344 0.142 1.00 . A A . 6 MET HB2 1 1 18 7510 1 1 6 MET HB3 H -6.101 4.210 -0.557 1.00 . A A . 6 MET HB3 1 1 18 7511 1 1 6 MET HE1 H -8.709 5.194 -3.816 1.00 . A A . 6 MET HE1 1 1 18 7512 1 1 6 MET HE2 H -9.591 6.698 -3.543 1.00 . A A . 6 MET HE2 1 1 18 7513 1 1 6 MET HE3 H -10.460 5.163 -3.598 1.00 . A A . 6 MET HE3 1 1 18 7514 1 1 6 MET HG2 H -7.396 4.330 -2.365 1.00 . A A . 6 MET HG2 1 1 18 7515 1 1 6 MET HG3 H -8.459 3.237 -1.482 1.00 . A A . 6 MET HG3 1 1 18 7516 1 1 6 MET N N -8.759 3.642 1.408 1.00 . A A . 6 MET N 1 1 18 7517 1 1 6 MET O O -6.659 3.753 3.074 1.00 . A A . 6 MET O 1 1 18 7518 1 1 6 MET SD S -9.319 5.457 -1.529 1.00 . A A . 6 MET SD 1 1 18 7519 1 1 7 TRP C C -2.822 3.760 1.917 1.00 . A A . 7 TRP C 1 1 18 7520 1 1 7 TRP CA C -4.045 3.081 2.511 1.00 . A A . 7 TRP CA 1 1 18 7521 1 1 7 TRP CB C -3.681 1.674 2.998 1.00 . A A . 7 TRP CB 1 1 18 7522 1 1 7 TRP CD1 C -4.296 -0.062 1.199 1.00 . A A . 7 TRP CD1 1 1 18 7523 1 1 7 TRP CD2 C -2.095 0.289 1.430 1.00 . A A . 7 TRP CD2 1 1 18 7524 1 1 7 TRP CE2 C -2.292 -0.685 0.432 1.00 . A A . 7 TRP CE2 1 1 18 7525 1 1 7 TRP CE3 C -0.788 0.671 1.746 1.00 . A A . 7 TRP CE3 1 1 18 7526 1 1 7 TRP CG C -3.390 0.676 1.910 1.00 . A A . 7 TRP CG 1 1 18 7527 1 1 7 TRP CH2 C 0.035 -0.887 0.081 1.00 . A A . 7 TRP CH2 1 1 18 7528 1 1 7 TRP CZ2 C -1.233 -1.281 -0.248 1.00 . A A . 7 TRP CZ2 1 1 18 7529 1 1 7 TRP CZ3 C 0.263 0.080 1.067 1.00 . A A . 7 TRP CZ3 1 1 18 7530 1 1 7 TRP H H -4.986 2.789 0.634 1.00 . A A . 7 TRP H 1 1 18 7531 1 1 7 TRP HA H -4.370 3.661 3.362 1.00 . A A . 7 TRP HA 1 1 18 7532 1 1 7 TRP HB2 H -2.800 1.741 3.620 1.00 . A A . 7 TRP HB2 1 1 18 7533 1 1 7 TRP HB3 H -4.495 1.294 3.592 1.00 . A A . 7 TRP HB3 1 1 18 7534 1 1 7 TRP HD1 H -5.367 0.000 1.328 1.00 . A A . 7 TRP HD1 1 1 18 7535 1 1 7 TRP HE1 H -4.070 -1.510 -0.321 1.00 . A A . 7 TRP HE1 1 1 18 7536 1 1 7 TRP HE3 H -0.591 1.415 2.504 1.00 . A A . 7 TRP HE3 1 1 18 7537 1 1 7 TRP HH2 H 0.888 -1.321 -0.427 1.00 . A A . 7 TRP HH2 1 1 18 7538 1 1 7 TRP HZ2 H -1.394 -2.033 -1.004 1.00 . A A . 7 TRP HZ2 1 1 18 7539 1 1 7 TRP HZ3 H 1.278 0.361 1.297 1.00 . A A . 7 TRP HZ3 1 1 18 7540 1 1 7 TRP N N -5.152 3.053 1.562 1.00 . A A . 7 TRP N 1 1 18 7541 1 1 7 TRP NE1 N -3.641 -0.883 0.307 1.00 . A A . 7 TRP NE1 1 1 18 7542 1 1 7 TRP O O -2.682 3.869 0.700 1.00 . A A . 7 TRP O 1 1 18 7543 1 1 8 ALA C C 0.496 3.997 2.575 1.00 . A A . 8 ALA C 1 1 18 7544 1 1 8 ALA CA C -0.720 4.896 2.382 1.00 . A A . 8 ALA CA 1 1 18 7545 1 1 8 ALA CB C -0.548 6.194 3.157 1.00 . A A . 8 ALA CB 1 1 18 7546 1 1 8 ALA H H -2.121 4.092 3.754 1.00 . A A . 8 ALA H 1 1 18 7547 1 1 8 ALA HA H -0.815 5.139 1.333 1.00 . A A . 8 ALA HA 1 1 18 7548 1 1 8 ALA HB1 H -1.460 6.771 3.100 1.00 . A A . 8 ALA HB1 1 1 18 7549 1 1 8 ALA HB2 H 0.265 6.763 2.731 1.00 . A A . 8 ALA HB2 1 1 18 7550 1 1 8 ALA HB3 H -0.328 5.970 4.191 1.00 . A A . 8 ALA HB3 1 1 18 7551 1 1 8 ALA N N -1.942 4.216 2.797 1.00 . A A . 8 ALA N 1 1 18 7552 1 1 8 ALA O O 0.867 3.669 3.701 1.00 . A A . 8 ALA O 1 1 18 7553 1 1 9 CYS C C 3.465 3.447 2.141 1.00 . A A . 9 CYS C 1 1 18 7554 1 1 9 CYS CA C 2.278 2.741 1.501 1.00 . A A . 9 CYS CA 1 1 18 7555 1 1 9 CYS CB C 2.641 2.295 0.087 1.00 . A A . 9 CYS CB 1 1 18 7556 1 1 9 CYS H H 0.766 3.900 0.601 1.00 . A A . 9 CYS H 1 1 18 7557 1 1 9 CYS HA H 2.032 1.874 2.090 1.00 . A A . 9 CYS HA 1 1 18 7558 1 1 9 CYS HB2 H 1.748 1.955 -0.419 1.00 . A A . 9 CYS HB2 1 1 18 7559 1 1 9 CYS HB3 H 3.054 3.135 -0.451 1.00 . A A . 9 CYS HB3 1 1 18 7560 1 1 9 CYS N N 1.108 3.603 1.466 1.00 . A A . 9 CYS N 1 1 18 7561 1 1 9 CYS O O 3.495 4.674 2.234 1.00 . A A . 9 CYS O 1 1 18 7562 1 1 9 CYS SG S 3.852 0.950 0.021 1.00 . A A . 9 CYS SG 1 1 18 7563 1 1 10 GLN C C 6.881 2.877 2.374 1.00 . A A . 10 GLN C 1 1 18 7564 1 1 10 GLN CA C 5.639 3.214 3.195 1.00 . A A . 10 GLN CA 1 1 18 7565 1 1 10 GLN CB C 5.795 2.682 4.622 1.00 . A A . 10 GLN CB 1 1 18 7566 1 1 10 GLN CD C 3.974 1.150 5.469 1.00 . A A . 10 GLN CD 1 1 18 7567 1 1 10 GLN CG C 4.483 2.576 5.383 1.00 . A A . 10 GLN CG 1 1 18 7568 1 1 10 GLN H H 4.367 1.693 2.467 1.00 . A A . 10 GLN H 1 1 18 7569 1 1 10 GLN HA H 5.523 4.287 3.230 1.00 . A A . 10 GLN HA 1 1 18 7570 1 1 10 GLN HB2 H 6.242 1.699 4.580 1.00 . A A . 10 GLN HB2 1 1 18 7571 1 1 10 GLN HB3 H 6.451 3.342 5.170 1.00 . A A . 10 GLN HB3 1 1 18 7572 1 1 10 GLN HE21 H 2.918 1.400 3.804 1.00 . A A . 10 GLN HE21 1 1 18 7573 1 1 10 GLN HE22 H 2.806 -0.160 4.536 1.00 . A A . 10 GLN HE22 1 1 18 7574 1 1 10 GLN HG2 H 4.631 2.950 6.385 1.00 . A A . 10 GLN HG2 1 1 18 7575 1 1 10 GLN HG3 H 3.741 3.178 4.881 1.00 . A A . 10 GLN HG3 1 1 18 7576 1 1 10 GLN N N 4.446 2.664 2.573 1.00 . A A . 10 GLN N 1 1 18 7577 1 1 10 GLN NE2 N 3.149 0.757 4.506 1.00 . A A . 10 GLN NE2 1 1 18 7578 1 1 10 GLN O O 7.959 2.655 2.925 1.00 . A A . 10 GLN O 1 1 18 7579 1 1 10 GLN OE1 O 4.318 0.410 6.391 1.00 . A A . 10 GLN OE1 1 1 18 7580 1 1 11 HIS C C 7.773 3.472 -1.049 1.00 . A A . 11 HIS C 1 1 18 7581 1 1 11 HIS CA C 7.829 2.545 0.154 1.00 . A A . 11 HIS CA 1 1 18 7582 1 1 11 HIS CB C 7.768 1.086 -0.301 1.00 . A A . 11 HIS CB 1 1 18 7583 1 1 11 HIS CD2 C 10.065 0.638 -1.409 1.00 . A A . 11 HIS CD2 1 1 18 7584 1 1 11 HIS CE1 C 10.811 -0.860 0.005 1.00 . A A . 11 HIS CE1 1 1 18 7585 1 1 11 HIS CG C 9.115 0.454 -0.465 1.00 . A A . 11 HIS CG 1 1 18 7586 1 1 11 HIS H H 5.839 3.039 0.669 1.00 . A A . 11 HIS H 1 1 18 7587 1 1 11 HIS HA H 8.751 2.716 0.688 1.00 . A A . 11 HIS HA 1 1 18 7588 1 1 11 HIS HB2 H 7.219 0.511 0.429 1.00 . A A . 11 HIS HB2 1 1 18 7589 1 1 11 HIS HB3 H 7.257 1.033 -1.251 1.00 . A A . 11 HIS HB3 1 1 18 7590 1 1 11 HIS HD1 H 9.151 -0.836 1.199 1.00 . A A . 11 HIS HD1 1 1 18 7591 1 1 11 HIS HD2 H 10.011 1.311 -2.254 1.00 . A A . 11 HIS HD2 1 1 18 7592 1 1 11 HIS HE1 H 11.446 -1.590 0.495 1.00 . A A . 11 HIS HE1 1 1 18 7593 1 1 11 HIS HE2 H 11.983 -0.215 -1.547 1.00 . A A . 11 HIS HE2 1 1 18 7594 1 1 11 HIS N N 6.722 2.846 1.053 1.00 . A A . 11 HIS N 1 1 18 7595 1 1 11 HIS ND1 N 9.613 -0.491 0.405 1.00 . A A . 11 HIS ND1 1 1 18 7596 1 1 11 HIS NE2 N 11.109 -0.191 -1.093 1.00 . A A . 11 HIS NE2 1 1 18 7597 1 1 11 HIS O O 8.708 4.229 -1.312 1.00 . A A . 11 HIS O 1 1 18 7598 1 1 12 CYS C C 5.867 5.605 -2.471 1.00 . A A . 12 CYS C 1 1 18 7599 1 1 12 CYS CA C 6.448 4.269 -2.914 1.00 . A A . 12 CYS CA 1 1 18 7600 1 1 12 CYS CB C 5.502 3.589 -3.895 1.00 . A A . 12 CYS CB 1 1 18 7601 1 1 12 CYS H H 5.940 2.815 -1.492 1.00 . A A . 12 CYS H 1 1 18 7602 1 1 12 CYS HA H 7.402 4.435 -3.390 1.00 . A A . 12 CYS HA 1 1 18 7603 1 1 12 CYS HB2 H 5.208 4.304 -4.627 1.00 . A A . 12 CYS HB2 1 1 18 7604 1 1 12 CYS HB3 H 6.018 2.772 -4.379 1.00 . A A . 12 CYS HB3 1 1 18 7605 1 1 12 CYS N N 6.655 3.423 -1.762 1.00 . A A . 12 CYS N 1 1 18 7606 1 1 12 CYS O O 6.173 6.649 -3.043 1.00 . A A . 12 CYS O 1 1 18 7607 1 1 12 CYS SG S 3.993 2.930 -3.155 1.00 . A A . 12 CYS SG 1 1 18 7608 1 1 13 THR C C 3.129 7.121 -1.620 1.00 . A A . 13 THR C 1 1 18 7609 1 1 13 THR CA C 4.389 6.726 -0.848 1.00 . A A . 13 THR CA 1 1 18 7610 1 1 13 THR CB C 5.376 7.903 -0.746 1.00 . A A . 13 THR CB 1 1 18 7611 1 1 13 THR CG2 C 5.371 8.847 -1.937 1.00 . A A . 13 THR CG2 1 1 18 7612 1 1 13 THR H H 4.852 4.665 -1.033 1.00 . A A . 13 THR H 1 1 18 7613 1 1 13 THR HA H 4.089 6.453 0.153 1.00 . A A . 13 THR HA 1 1 18 7614 1 1 13 THR HB H 6.373 7.504 -0.646 1.00 . A A . 13 THR HB 1 1 18 7615 1 1 13 THR HG1 H 5.628 8.362 1.141 1.00 . A A . 13 THR HG1 1 1 18 7616 1 1 13 THR HG21 H 6.388 9.074 -2.220 1.00 . A A . 13 THR HG21 1 1 18 7617 1 1 13 THR HG22 H 4.861 9.761 -1.669 1.00 . A A . 13 THR HG22 1 1 18 7618 1 1 13 THR HG23 H 4.862 8.383 -2.767 1.00 . A A . 13 THR HG23 1 1 18 7619 1 1 13 THR N N 5.035 5.544 -1.430 1.00 . A A . 13 THR N 1 1 18 7620 1 1 13 THR O O 2.819 8.304 -1.765 1.00 . A A . 13 THR O 1 1 18 7621 1 1 13 THR OG1 O 5.099 8.680 0.406 1.00 . A A . 13 THR OG1 1 1 18 7622 1 1 14 PHE C C -0.015 5.732 -2.116 1.00 . A A . 14 PHE C 1 1 18 7623 1 1 14 PHE CA C 1.169 6.361 -2.832 1.00 . A A . 14 PHE CA 1 1 18 7624 1 1 14 PHE CB C 1.282 5.796 -4.245 1.00 . A A . 14 PHE CB 1 1 18 7625 1 1 14 PHE CD1 C -0.310 7.334 -5.425 1.00 . A A . 14 PHE CD1 1 1 18 7626 1 1 14 PHE CD2 C -0.684 4.983 -5.573 1.00 . A A . 14 PHE CD2 1 1 18 7627 1 1 14 PHE CE1 C -1.424 7.563 -6.212 1.00 . A A . 14 PHE CE1 1 1 18 7628 1 1 14 PHE CE2 C -1.798 5.206 -6.361 1.00 . A A . 14 PHE CE2 1 1 18 7629 1 1 14 PHE CG C 0.071 6.042 -5.098 1.00 . A A . 14 PHE CG 1 1 18 7630 1 1 14 PHE CZ C -2.168 6.497 -6.681 1.00 . A A . 14 PHE CZ 1 1 18 7631 1 1 14 PHE H H 2.681 5.202 -1.939 1.00 . A A . 14 PHE H 1 1 18 7632 1 1 14 PHE HA H 1.016 7.427 -2.891 1.00 . A A . 14 PHE HA 1 1 18 7633 1 1 14 PHE HB2 H 2.125 6.249 -4.730 1.00 . A A . 14 PHE HB2 1 1 18 7634 1 1 14 PHE HB3 H 1.437 4.730 -4.184 1.00 . A A . 14 PHE HB3 1 1 18 7635 1 1 14 PHE HD1 H 0.271 8.167 -5.061 1.00 . A A . 14 PHE HD1 1 1 18 7636 1 1 14 PHE HD2 H -0.396 3.973 -5.323 1.00 . A A . 14 PHE HD2 1 1 18 7637 1 1 14 PHE HE1 H -1.710 8.574 -6.462 1.00 . A A . 14 PHE HE1 1 1 18 7638 1 1 14 PHE HE2 H -2.378 4.371 -6.726 1.00 . A A . 14 PHE HE2 1 1 18 7639 1 1 14 PHE HZ H -3.039 6.674 -7.295 1.00 . A A . 14 PHE HZ 1 1 18 7640 1 1 14 PHE N N 2.397 6.122 -2.095 1.00 . A A . 14 PHE N 1 1 18 7641 1 1 14 PHE O O 0.148 4.866 -1.256 1.00 . A A . 14 PHE O 1 1 18 7642 1 1 15 MET C C -2.896 4.419 -2.649 1.00 . A A . 15 MET C 1 1 18 7643 1 1 15 MET CA C -2.431 5.648 -1.894 1.00 . A A . 15 MET CA 1 1 18 7644 1 1 15 MET CB C -3.527 6.716 -1.889 1.00 . A A . 15 MET CB 1 1 18 7645 1 1 15 MET CE C -6.064 8.176 1.003 1.00 . A A . 15 MET CE 1 1 18 7646 1 1 15 MET CG C -4.387 6.698 -0.636 1.00 . A A . 15 MET CG 1 1 18 7647 1 1 15 MET H H -1.259 6.853 -3.183 1.00 . A A . 15 MET H 1 1 18 7648 1 1 15 MET HA H -2.212 5.353 -0.876 1.00 . A A . 15 MET HA 1 1 18 7649 1 1 15 MET HB2 H -3.065 7.689 -1.968 1.00 . A A . 15 MET HB2 1 1 18 7650 1 1 15 MET HB3 H -4.169 6.561 -2.742 1.00 . A A . 15 MET HB3 1 1 18 7651 1 1 15 MET HE1 H -7.030 8.643 1.125 1.00 . A A . 15 MET HE1 1 1 18 7652 1 1 15 MET HE2 H -5.295 8.837 1.372 1.00 . A A . 15 MET HE2 1 1 18 7653 1 1 15 MET HE3 H -6.040 7.250 1.558 1.00 . A A . 15 MET HE3 1 1 18 7654 1 1 15 MET HG2 H -4.768 5.699 -0.491 1.00 . A A . 15 MET HG2 1 1 18 7655 1 1 15 MET HG3 H -3.774 6.973 0.210 1.00 . A A . 15 MET HG3 1 1 18 7656 1 1 15 MET N N -1.206 6.168 -2.487 1.00 . A A . 15 MET N 1 1 18 7657 1 1 15 MET O O -2.699 4.306 -3.859 1.00 . A A . 15 MET O 1 1 18 7658 1 1 15 MET SD S -5.780 7.839 -0.733 1.00 . A A . 15 MET SD 1 1 18 7659 1 1 16 ASN C C -5.283 1.805 -1.952 1.00 . A A . 16 ASN C 1 1 18 7660 1 1 16 ASN CA C -3.934 2.244 -2.516 1.00 . A A . 16 ASN CA 1 1 18 7661 1 1 16 ASN CB C -2.882 1.180 -2.255 1.00 . A A . 16 ASN CB 1 1 18 7662 1 1 16 ASN CG C -2.744 0.204 -3.398 1.00 . A A . 16 ASN CG 1 1 18 7663 1 1 16 ASN H H -3.584 3.617 -0.957 1.00 . A A . 16 ASN H 1 1 18 7664 1 1 16 ASN HA H -4.025 2.395 -3.580 1.00 . A A . 16 ASN HA 1 1 18 7665 1 1 16 ASN HB2 H -1.927 1.661 -2.104 1.00 . A A . 16 ASN HB2 1 1 18 7666 1 1 16 ASN HB3 H -3.149 0.646 -1.364 1.00 . A A . 16 ASN HB3 1 1 18 7667 1 1 16 ASN HD21 H -0.999 1.014 -3.898 1.00 . A A . 16 ASN HD21 1 1 18 7668 1 1 16 ASN HD22 H -1.528 -0.301 -4.884 1.00 . A A . 16 ASN HD22 1 1 18 7669 1 1 16 ASN N N -3.480 3.483 -1.922 1.00 . A A . 16 ASN N 1 1 18 7670 1 1 16 ASN ND2 N -1.646 0.317 -4.135 1.00 . A A . 16 ASN ND2 1 1 18 7671 1 1 16 ASN O O -5.639 2.147 -0.826 1.00 . A A . 16 ASN O 1 1 18 7672 1 1 16 ASN OD1 O -3.610 -0.638 -3.621 1.00 . A A . 16 ASN OD1 1 1 18 7673 1 1 17 GLN C C -7.231 -0.399 -1.142 1.00 . A A . 17 GLN C 1 1 18 7674 1 1 17 GLN CA C -7.340 0.553 -2.333 1.00 . A A . 17 GLN CA 1 1 18 7675 1 1 17 GLN CB C -8.027 -0.147 -3.498 1.00 . A A . 17 GLN CB 1 1 18 7676 1 1 17 GLN CD C -10.197 1.094 -3.873 1.00 . A A . 17 GLN CD 1 1 18 7677 1 1 17 GLN CG C -8.808 0.795 -4.401 1.00 . A A . 17 GLN CG 1 1 18 7678 1 1 17 GLN H H -5.687 0.800 -3.632 1.00 . A A . 17 GLN H 1 1 18 7679 1 1 17 GLN HA H -7.931 1.399 -2.049 1.00 . A A . 17 GLN HA 1 1 18 7680 1 1 17 GLN HB2 H -7.276 -0.630 -4.087 1.00 . A A . 17 GLN HB2 1 1 18 7681 1 1 17 GLN HB3 H -8.708 -0.891 -3.110 1.00 . A A . 17 GLN HB3 1 1 18 7682 1 1 17 GLN HE21 H -9.556 2.807 -3.091 1.00 . A A . 17 GLN HE21 1 1 18 7683 1 1 17 GLN HE22 H -11.230 2.452 -2.854 1.00 . A A . 17 GLN HE22 1 1 18 7684 1 1 17 GLN HG2 H -8.264 1.724 -4.486 1.00 . A A . 17 GLN HG2 1 1 18 7685 1 1 17 GLN HG3 H -8.900 0.342 -5.377 1.00 . A A . 17 GLN HG3 1 1 18 7686 1 1 17 GLN N N -6.029 1.041 -2.745 1.00 . A A . 17 GLN N 1 1 18 7687 1 1 17 GLN NE2 N -10.342 2.232 -3.205 1.00 . A A . 17 GLN NE2 1 1 18 7688 1 1 17 GLN O O -6.159 -0.931 -0.857 1.00 . A A . 17 GLN O 1 1 18 7689 1 1 17 GLN OE1 O -11.128 0.314 -4.066 1.00 . A A . 17 GLN OE1 1 1 18 7690 1 1 18 PRO C C -8.300 -2.990 0.365 1.00 . A A . 18 PRO C 1 1 18 7691 1 1 18 PRO CA C -8.381 -1.512 0.741 1.00 . A A . 18 PRO CA 1 1 18 7692 1 1 18 PRO CB C -9.734 -1.202 1.381 1.00 . A A . 18 PRO CB 1 1 18 7693 1 1 18 PRO CD C -9.671 -0.024 -0.699 1.00 . A A . 18 PRO CD 1 1 18 7694 1 1 18 PRO CG C -10.587 -0.745 0.251 1.00 . A A . 18 PRO CG 1 1 18 7695 1 1 18 PRO HA H -7.589 -1.277 1.437 1.00 . A A . 18 PRO HA 1 1 18 7696 1 1 18 PRO HB2 H -10.130 -2.096 1.841 1.00 . A A . 18 PRO HB2 1 1 18 7697 1 1 18 PRO HB3 H -9.616 -0.430 2.124 1.00 . A A . 18 PRO HB3 1 1 18 7698 1 1 18 PRO HD2 H -9.971 -0.201 -1.721 1.00 . A A . 18 PRO HD2 1 1 18 7699 1 1 18 PRO HD3 H -9.663 1.035 -0.486 1.00 . A A . 18 PRO HD3 1 1 18 7700 1 1 18 PRO HG2 H -11.037 -1.597 -0.237 1.00 . A A . 18 PRO HG2 1 1 18 7701 1 1 18 PRO HG3 H -11.351 -0.074 0.615 1.00 . A A . 18 PRO HG3 1 1 18 7702 1 1 18 PRO N N -8.350 -0.624 -0.428 1.00 . A A . 18 PRO N 1 1 18 7703 1 1 18 PRO O O -8.152 -3.850 1.234 1.00 . A A . 18 PRO O 1 1 18 7704 1 1 19 GLY C C -6.957 -5.017 -1.912 1.00 . A A . 19 GLY C 1 1 18 7705 1 1 19 GLY CA C -8.330 -4.659 -1.382 1.00 . A A . 19 GLY CA 1 1 18 7706 1 1 19 GLY H H -8.511 -2.560 -1.580 1.00 . A A . 19 GLY H 1 1 18 7707 1 1 19 GLY HA2 H -8.567 -5.312 -0.555 1.00 . A A . 19 GLY HA2 1 1 18 7708 1 1 19 GLY HA3 H -9.057 -4.805 -2.166 1.00 . A A . 19 GLY HA3 1 1 18 7709 1 1 19 GLY N N -8.397 -3.282 -0.928 1.00 . A A . 19 GLY N 1 1 18 7710 1 1 19 GLY O O -6.584 -6.189 -1.956 1.00 . A A . 19 GLY O 1 1 18 7711 1 1 20 THR C C -3.820 -4.050 -1.748 1.00 . A A . 20 THR C 1 1 18 7712 1 1 20 THR CA C -4.864 -4.196 -2.843 1.00 . A A . 20 THR CA 1 1 18 7713 1 1 20 THR CB C -4.586 -3.189 -3.956 1.00 . A A . 20 THR CB 1 1 18 7714 1 1 20 THR CG2 C -4.700 -3.783 -5.335 1.00 . A A . 20 THR CG2 1 1 18 7715 1 1 20 THR H H -6.561 -3.088 -2.251 1.00 . A A . 20 THR H 1 1 18 7716 1 1 20 THR HA H -4.804 -5.194 -3.250 1.00 . A A . 20 THR HA 1 1 18 7717 1 1 20 THR HB H -3.579 -2.812 -3.842 1.00 . A A . 20 THR HB 1 1 18 7718 1 1 20 THR HG1 H -6.372 -2.398 -4.110 1.00 . A A . 20 THR HG1 1 1 18 7719 1 1 20 THR HG21 H -5.742 -3.874 -5.601 1.00 . A A . 20 THR HG21 1 1 18 7720 1 1 20 THR HG22 H -4.237 -4.758 -5.344 1.00 . A A . 20 THR HG22 1 1 18 7721 1 1 20 THR HG23 H -4.201 -3.139 -6.043 1.00 . A A . 20 THR HG23 1 1 18 7722 1 1 20 THR N N -6.205 -3.999 -2.313 1.00 . A A . 20 THR N 1 1 18 7723 1 1 20 THR O O -3.012 -3.124 -1.772 1.00 . A A . 20 THR O 1 1 18 7724 1 1 20 THR OG1 O -5.488 -2.099 -3.884 1.00 . A A . 20 THR OG1 1 1 18 7725 1 1 21 GLY C C -1.451 -4.764 -0.246 1.00 . A A . 21 GLY C 1 1 18 7726 1 1 21 GLY CA C -2.859 -4.908 0.284 1.00 . A A . 21 GLY CA 1 1 18 7727 1 1 21 GLY H H -4.491 -5.692 -0.817 1.00 . A A . 21 GLY H 1 1 18 7728 1 1 21 GLY HA2 H -3.086 -4.063 0.917 1.00 . A A . 21 GLY HA2 1 1 18 7729 1 1 21 GLY HA3 H -2.922 -5.808 0.868 1.00 . A A . 21 GLY HA3 1 1 18 7730 1 1 21 GLY N N -3.830 -4.969 -0.789 1.00 . A A . 21 GLY N 1 1 18 7731 1 1 21 GLY O O -0.584 -4.190 0.411 1.00 . A A . 21 GLY O 1 1 18 7732 1 1 22 HIS C C 0.340 -3.726 -2.477 1.00 . A A . 22 HIS C 1 1 18 7733 1 1 22 HIS CA C 0.080 -5.177 -2.074 1.00 . A A . 22 HIS CA 1 1 18 7734 1 1 22 HIS CB C 0.179 -6.121 -3.276 1.00 . A A . 22 HIS CB 1 1 18 7735 1 1 22 HIS CD2 C 1.436 -8.359 -2.898 1.00 . A A . 22 HIS CD2 1 1 18 7736 1 1 22 HIS CE1 C -0.256 -9.560 -2.186 1.00 . A A . 22 HIS CE1 1 1 18 7737 1 1 22 HIS CG C 0.342 -7.559 -2.894 1.00 . A A . 22 HIS CG 1 1 18 7738 1 1 22 HIS H H -1.960 -5.706 -1.939 1.00 . A A . 22 HIS H 1 1 18 7739 1 1 22 HIS HA H 0.809 -5.464 -1.335 1.00 . A A . 22 HIS HA 1 1 18 7740 1 1 22 HIS HB2 H -0.720 -6.035 -3.866 1.00 . A A . 22 HIS HB2 1 1 18 7741 1 1 22 HIS HB3 H 1.029 -5.837 -3.880 1.00 . A A . 22 HIS HB3 1 1 18 7742 1 1 22 HIS HD1 H -1.628 -8.049 -2.329 1.00 . A A . 22 HIS HD1 1 1 18 7743 1 1 22 HIS HD2 H 2.436 -8.075 -3.195 1.00 . A A . 22 HIS HD2 1 1 18 7744 1 1 22 HIS HE1 H -0.848 -10.385 -1.821 1.00 . A A . 22 HIS HE1 1 1 18 7745 1 1 22 HIS HE2 H 1.595 -10.400 -2.435 1.00 . A A . 22 HIS HE2 1 1 18 7746 1 1 22 HIS N N -1.227 -5.273 -1.452 1.00 . A A . 22 HIS N 1 1 18 7747 1 1 22 HIS ND1 N -0.700 -8.343 -2.444 1.00 . A A . 22 HIS ND1 1 1 18 7748 1 1 22 HIS NE2 N 1.036 -9.595 -2.455 1.00 . A A . 22 HIS NE2 1 1 18 7749 1 1 22 HIS O O 0.516 -2.876 -1.614 1.00 . A A . 22 HIS O 1 1 18 7750 1 1 23 CYS C C 0.676 -2.004 -5.751 1.00 . A A . 23 CYS C 1 1 18 7751 1 1 23 CYS CA C 0.563 -2.069 -4.234 1.00 . A A . 23 CYS CA 1 1 18 7752 1 1 23 CYS CB C 1.816 -1.473 -3.600 1.00 . A A . 23 CYS CB 1 1 18 7753 1 1 23 CYS H H 0.197 -4.131 -4.429 1.00 . A A . 23 CYS H 1 1 18 7754 1 1 23 CYS HA H -0.289 -1.486 -3.928 1.00 . A A . 23 CYS HA 1 1 18 7755 1 1 23 CYS HB2 H 2.207 -2.157 -2.866 1.00 . A A . 23 CYS HB2 1 1 18 7756 1 1 23 CYS HB3 H 2.556 -1.322 -4.362 1.00 . A A . 23 CYS HB3 1 1 18 7757 1 1 23 CYS N N 0.347 -3.431 -3.774 1.00 . A A . 23 CYS N 1 1 18 7758 1 1 23 CYS O O 0.994 -2.994 -6.409 1.00 . A A . 23 CYS O 1 1 18 7759 1 1 23 CYS SG S 1.531 0.115 -2.785 1.00 . A A . 23 CYS SG 1 1 18 7760 1 1 24 GLU C C 1.719 0.268 -8.061 1.00 . A A . 24 GLU C 1 1 18 7761 1 1 24 GLU CA C 0.509 -0.599 -7.730 1.00 . A A . 24 GLU CA 1 1 18 7762 1 1 24 GLU CB C -0.771 0.066 -8.244 1.00 . A A . 24 GLU CB 1 1 18 7763 1 1 24 GLU CD C -1.958 0.604 -10.407 1.00 . A A . 24 GLU CD 1 1 18 7764 1 1 24 GLU CG C -1.219 -0.448 -9.602 1.00 . A A . 24 GLU CG 1 1 18 7765 1 1 24 GLU H H 0.189 -0.067 -5.712 1.00 . A A . 24 GLU H 1 1 18 7766 1 1 24 GLU HA H 0.624 -1.560 -8.208 1.00 . A A . 24 GLU HA 1 1 18 7767 1 1 24 GLU HB2 H -1.565 -0.112 -7.534 1.00 . A A . 24 GLU HB2 1 1 18 7768 1 1 24 GLU HB3 H -0.602 1.130 -8.323 1.00 . A A . 24 GLU HB3 1 1 18 7769 1 1 24 GLU HG2 H -0.350 -0.760 -10.160 1.00 . A A . 24 GLU HG2 1 1 18 7770 1 1 24 GLU HG3 H -1.875 -1.293 -9.453 1.00 . A A . 24 GLU HG3 1 1 18 7771 1 1 24 GLU N N 0.425 -0.818 -6.295 1.00 . A A . 24 GLU N 1 1 18 7772 1 1 24 GLU O O 1.764 0.918 -9.105 1.00 . A A . 24 GLU O 1 1 18 7773 1 1 24 GLU OE1 O -3.087 0.968 -10.015 1.00 . A A . 24 GLU OE1 1 1 18 7774 1 1 24 GLU OE2 O -1.407 1.062 -11.431 1.00 . A A . 24 GLU OE2 1 1 18 7775 1 1 25 MET C C 5.132 0.186 -7.053 1.00 . A A . 25 MET C 1 1 18 7776 1 1 25 MET CA C 3.914 1.045 -7.353 1.00 . A A . 25 MET CA 1 1 18 7777 1 1 25 MET CB C 3.903 2.280 -6.451 1.00 . A A . 25 MET CB 1 1 18 7778 1 1 25 MET CE C 4.361 4.801 -9.626 1.00 . A A . 25 MET CE 1 1 18 7779 1 1 25 MET CG C 4.338 3.553 -7.159 1.00 . A A . 25 MET CG 1 1 18 7780 1 1 25 MET H H 2.611 -0.277 -6.349 1.00 . A A . 25 MET H 1 1 18 7781 1 1 25 MET HA H 3.950 1.359 -8.385 1.00 . A A . 25 MET HA 1 1 18 7782 1 1 25 MET HB2 H 2.903 2.428 -6.073 1.00 . A A . 25 MET HB2 1 1 18 7783 1 1 25 MET HB3 H 4.571 2.110 -5.621 1.00 . A A . 25 MET HB3 1 1 18 7784 1 1 25 MET HE1 H 4.718 4.074 -10.344 1.00 . A A . 25 MET HE1 1 1 18 7785 1 1 25 MET HE2 H 5.199 5.201 -9.073 1.00 . A A . 25 MET HE2 1 1 18 7786 1 1 25 MET HE3 H 3.857 5.601 -10.147 1.00 . A A . 25 MET HE3 1 1 18 7787 1 1 25 MET HG2 H 4.366 4.358 -6.440 1.00 . A A . 25 MET HG2 1 1 18 7788 1 1 25 MET HG3 H 5.326 3.402 -7.569 1.00 . A A . 25 MET HG3 1 1 18 7789 1 1 25 MET N N 2.701 0.267 -7.162 1.00 . A A . 25 MET N 1 1 18 7790 1 1 25 MET O O 5.963 -0.054 -7.929 1.00 . A A . 25 MET O 1 1 18 7791 1 1 25 MET SD S 3.222 4.017 -8.498 1.00 . A A . 25 MET SD 1 1 18 7792 1 1 26 CYS C C 6.104 -2.575 -5.817 1.00 . A A . 26 CYS C 1 1 18 7793 1 1 26 CYS CA C 6.347 -1.121 -5.420 1.00 . A A . 26 CYS CA 1 1 18 7794 1 1 26 CYS CB C 6.582 -1.020 -3.915 1.00 . A A . 26 CYS CB 1 1 18 7795 1 1 26 CYS H H 4.543 -0.069 -5.148 1.00 . A A . 26 CYS H 1 1 18 7796 1 1 26 CYS HA H 7.226 -0.764 -5.935 1.00 . A A . 26 CYS HA 1 1 18 7797 1 1 26 CYS HB2 H 7.202 -1.835 -3.618 1.00 . A A . 26 CYS HB2 1 1 18 7798 1 1 26 CYS HB3 H 7.084 -0.091 -3.696 1.00 . A A . 26 CYS HB3 1 1 18 7799 1 1 26 CYS N N 5.233 -0.285 -5.812 1.00 . A A . 26 CYS N 1 1 18 7800 1 1 26 CYS O O 6.965 -3.208 -6.426 1.00 . A A . 26 CYS O 1 1 18 7801 1 1 26 CYS SG S 5.087 -1.094 -2.902 1.00 . A A . 26 CYS SG 1 1 18 7802 1 1 27 SER C C 4.863 -5.339 -4.512 1.00 . A A . 27 SER C 1 1 18 7803 1 1 27 SER CA C 4.554 -4.489 -5.727 1.00 . A A . 27 SER CA 1 1 18 7804 1 1 27 SER CB C 5.275 -5.039 -6.956 1.00 . A A . 27 SER CB 1 1 18 7805 1 1 27 SER H H 4.304 -2.544 -4.934 1.00 . A A . 27 SER H 1 1 18 7806 1 1 27 SER HA H 3.490 -4.512 -5.905 1.00 . A A . 27 SER HA 1 1 18 7807 1 1 27 SER HB2 H 5.305 -4.277 -7.720 1.00 . A A . 27 SER HB2 1 1 18 7808 1 1 27 SER HB3 H 6.281 -5.316 -6.681 1.00 . A A . 27 SER HB3 1 1 18 7809 1 1 27 SER HG H 4.284 -5.986 -8.355 1.00 . A A . 27 SER HG 1 1 18 7810 1 1 27 SER N N 4.930 -3.101 -5.443 1.00 . A A . 27 SER N 1 1 18 7811 1 1 27 SER O O 5.294 -6.487 -4.619 1.00 . A A . 27 SER O 1 1 18 7812 1 1 27 SER OG O 4.611 -6.179 -7.473 1.00 . A A . 27 SER OG 1 1 18 7813 1 1 28 LEU C C 3.647 -5.406 -1.244 1.00 . A A . 28 LEU C 1 1 18 7814 1 1 28 LEU CA C 4.916 -5.366 -2.086 1.00 . A A . 28 LEU CA 1 1 18 7815 1 1 28 LEU CB C 5.996 -4.574 -1.371 1.00 . A A . 28 LEU CB 1 1 18 7816 1 1 28 LEU CD1 C 8.415 -4.122 -0.942 1.00 . A A . 28 LEU CD1 1 1 18 7817 1 1 28 LEU CD2 C 7.580 -6.478 -0.949 1.00 . A A . 28 LEU CD2 1 1 18 7818 1 1 28 LEU CG C 7.421 -5.091 -1.554 1.00 . A A . 28 LEU CG 1 1 18 7819 1 1 28 LEU H H 4.329 -3.816 -3.352 1.00 . A A . 28 LEU H 1 1 18 7820 1 1 28 LEU HA H 5.264 -6.372 -2.263 1.00 . A A . 28 LEU HA 1 1 18 7821 1 1 28 LEU HB2 H 5.958 -3.565 -1.738 1.00 . A A . 28 LEU HB2 1 1 18 7822 1 1 28 LEU HB3 H 5.763 -4.555 -0.334 1.00 . A A . 28 LEU HB3 1 1 18 7823 1 1 28 LEU HD11 H 8.729 -3.406 -1.686 1.00 . A A . 28 LEU HD11 1 1 18 7824 1 1 28 LEU HD12 H 9.277 -4.671 -0.585 1.00 . A A . 28 LEU HD12 1 1 18 7825 1 1 28 LEU HD13 H 7.958 -3.603 -0.114 1.00 . A A . 28 LEU HD13 1 1 18 7826 1 1 28 LEU HD21 H 7.577 -6.404 0.128 1.00 . A A . 28 LEU HD21 1 1 18 7827 1 1 28 LEU HD22 H 8.511 -6.905 -1.276 1.00 . A A . 28 LEU HD22 1 1 18 7828 1 1 28 LEU HD23 H 6.762 -7.106 -1.271 1.00 . A A . 28 LEU HD23 1 1 18 7829 1 1 28 LEU HG H 7.630 -5.159 -2.611 1.00 . A A . 28 LEU HG 1 1 18 7830 1 1 28 LEU N N 4.655 -4.735 -3.354 1.00 . A A . 28 LEU N 1 1 18 7831 1 1 28 LEU O O 2.657 -4.770 -1.583 1.00 . A A . 28 LEU O 1 1 18 7832 1 1 29 PRO C C 2.369 -5.079 1.699 1.00 . A A . 29 PRO C 1 1 18 7833 1 1 29 PRO CA C 2.523 -6.277 0.766 1.00 . A A . 29 PRO CA 1 1 18 7834 1 1 29 PRO CB C 2.854 -7.537 1.562 1.00 . A A . 29 PRO CB 1 1 18 7835 1 1 29 PRO CD C 4.830 -6.923 0.337 1.00 . A A . 29 PRO CD 1 1 18 7836 1 1 29 PRO CG C 4.345 -7.574 1.608 1.00 . A A . 29 PRO CG 1 1 18 7837 1 1 29 PRO HA H 1.604 -6.425 0.216 1.00 . A A . 29 PRO HA 1 1 18 7838 1 1 29 PRO HB2 H 2.428 -7.464 2.552 1.00 . A A . 29 PRO HB2 1 1 18 7839 1 1 29 PRO HB3 H 2.454 -8.403 1.055 1.00 . A A . 29 PRO HB3 1 1 18 7840 1 1 29 PRO HD2 H 5.663 -6.266 0.541 1.00 . A A . 29 PRO HD2 1 1 18 7841 1 1 29 PRO HD3 H 5.111 -7.669 -0.390 1.00 . A A . 29 PRO HD3 1 1 18 7842 1 1 29 PRO HG2 H 4.697 -7.024 2.467 1.00 . A A . 29 PRO HG2 1 1 18 7843 1 1 29 PRO HG3 H 4.683 -8.599 1.655 1.00 . A A . 29 PRO HG3 1 1 18 7844 1 1 29 PRO N N 3.671 -6.150 -0.132 1.00 . A A . 29 PRO N 1 1 18 7845 1 1 29 PRO O O 3.332 -4.356 1.960 1.00 . A A . 29 PRO O 1 1 18 7846 1 1 30 ARG C C 1.506 -4.012 4.478 1.00 . A A . 30 ARG C 1 1 18 7847 1 1 30 ARG CA C 0.872 -3.778 3.117 1.00 . A A . 30 ARG CA 1 1 18 7848 1 1 30 ARG CB C -0.638 -3.591 3.265 1.00 . A A . 30 ARG CB 1 1 18 7849 1 1 30 ARG CD C -2.541 -1.985 3.592 1.00 . A A . 30 ARG CD 1 1 18 7850 1 1 30 ARG CG C -1.082 -2.140 3.197 1.00 . A A . 30 ARG CG 1 1 18 7851 1 1 30 ARG CZ C -4.075 -2.994 5.236 1.00 . A A . 30 ARG CZ 1 1 18 7852 1 1 30 ARG H H 0.431 -5.496 1.969 1.00 . A A . 30 ARG H 1 1 18 7853 1 1 30 ARG HA H 1.299 -2.890 2.696 1.00 . A A . 30 ARG HA 1 1 18 7854 1 1 30 ARG HB2 H -1.131 -4.135 2.477 1.00 . A A . 30 ARG HB2 1 1 18 7855 1 1 30 ARG HB3 H -0.949 -3.996 4.212 1.00 . A A . 30 ARG HB3 1 1 18 7856 1 1 30 ARG HD2 H -2.759 -0.934 3.706 1.00 . A A . 30 ARG HD2 1 1 18 7857 1 1 30 ARG HD3 H -3.158 -2.398 2.808 1.00 . A A . 30 ARG HD3 1 1 18 7858 1 1 30 ARG HE H -2.091 -2.901 5.429 1.00 . A A . 30 ARG HE 1 1 18 7859 1 1 30 ARG HG2 H -0.472 -1.556 3.870 1.00 . A A . 30 ARG HG2 1 1 18 7860 1 1 30 ARG HG3 H -0.949 -1.782 2.187 1.00 . A A . 30 ARG HG3 1 1 18 7861 1 1 30 ARG HH11 H -4.985 -2.227 3.600 1.00 . A A . 30 ARG HH11 1 1 18 7862 1 1 30 ARG HH12 H -6.042 -2.942 4.770 1.00 . A A . 30 ARG HH12 1 1 18 7863 1 1 30 ARG HH21 H -3.479 -3.842 6.970 1.00 . A A . 30 ARG HH21 1 1 18 7864 1 1 30 ARG HH22 H -5.187 -3.859 6.684 1.00 . A A . 30 ARG HH22 1 1 18 7865 1 1 30 ARG N N 1.155 -4.880 2.205 1.00 . A A . 30 ARG N 1 1 18 7866 1 1 30 ARG NE N -2.844 -2.670 4.847 1.00 . A A . 30 ARG NE 1 1 18 7867 1 1 30 ARG NH1 N -5.119 -2.696 4.472 1.00 . A A . 30 ARG NH1 1 1 18 7868 1 1 30 ARG NH2 N -4.262 -3.616 6.391 1.00 . A A . 30 ARG NH2 1 1 18 7869 1 1 30 ARG O O 1.526 -3.125 5.330 1.00 . A A . 30 ARG O 1 1 18 7870 1 1 31 THR C C 3.797 -6.558 5.691 1.00 . A A . 31 THR C 1 1 18 7871 1 1 31 THR CA C 2.650 -5.579 5.928 1.00 . A A . 31 THR CA 1 1 18 7872 1 1 31 THR CB C 1.610 -6.191 6.870 1.00 . A A . 31 THR CB 1 1 18 7873 1 1 31 THR CG2 C 2.210 -6.842 8.100 1.00 . A A . 31 THR CG2 1 1 18 7874 1 1 31 THR H H 1.962 -5.870 3.954 1.00 . A A . 31 THR H 1 1 18 7875 1 1 31 THR HA H 3.042 -4.678 6.372 1.00 . A A . 31 THR HA 1 1 18 7876 1 1 31 THR HB H 1.056 -6.947 6.330 1.00 . A A . 31 THR HB 1 1 18 7877 1 1 31 THR HG1 H 1.172 -4.506 7.768 1.00 . A A . 31 THR HG1 1 1 18 7878 1 1 31 THR HG21 H 2.811 -6.119 8.633 1.00 . A A . 31 THR HG21 1 1 18 7879 1 1 31 THR HG22 H 2.828 -7.675 7.801 1.00 . A A . 31 THR HG22 1 1 18 7880 1 1 31 THR HG23 H 1.417 -7.195 8.744 1.00 . A A . 31 THR HG23 1 1 18 7881 1 1 31 THR N N 2.017 -5.213 4.673 1.00 . A A . 31 THR N 1 1 18 7882 1 1 31 THR O O 3.576 -7.709 5.313 1.00 . A A . 31 THR O 1 1 18 7883 1 1 31 THR OG1 O 0.695 -5.204 7.313 1.00 . A A . 31 THR OG1 1 1 18 7884 2 2 1 ZN ZN ZN 3.816 0.747 -2.397 1.00 . B A . 32 ZN ZN 1 1 19 7885 1 1 1 GLY C C -18.622 6.806 -2.240 1.00 . A A . 1 GLY C 1 1 19 7886 1 1 1 GLY CA C -18.721 8.231 -1.734 1.00 . A A . 1 GLY CA 1 1 19 7887 1 1 1 GLY H1 H -17.756 10.073 -1.933 1.00 . A A . 1 GLY H1 1 1 19 7888 1 1 1 GLY H2 H -17.974 9.252 -3.395 1.00 . A A . 1 GLY H2 1 1 19 7889 1 1 1 GLY H3 H -16.780 8.744 -2.311 1.00 . A A . 1 GLY H3 1 1 19 7890 1 1 1 GLY HA2 H -18.544 8.236 -0.668 1.00 . A A . 1 GLY HA2 1 1 19 7891 1 1 1 GLY HA3 H -19.718 8.601 -1.923 1.00 . A A . 1 GLY HA3 1 1 19 7892 1 1 1 GLY N N -17.739 9.138 -2.389 1.00 . A A . 1 GLY N 1 1 19 7893 1 1 1 GLY O O -19.572 6.278 -2.818 1.00 . A A . 1 GLY O 1 1 19 7894 1 1 2 SER C C -16.003 4.221 -1.807 1.00 . A A . 2 SER C 1 1 19 7895 1 1 2 SER CA C -17.249 4.809 -2.462 1.00 . A A . 2 SER CA 1 1 19 7896 1 1 2 SER CB C -17.111 4.753 -3.985 1.00 . A A . 2 SER CB 1 1 19 7897 1 1 2 SER H H -16.749 6.655 -1.557 1.00 . A A . 2 SER H 1 1 19 7898 1 1 2 SER HA H -18.107 4.225 -2.166 1.00 . A A . 2 SER HA 1 1 19 7899 1 1 2 SER HB2 H -16.487 5.570 -4.318 1.00 . A A . 2 SER HB2 1 1 19 7900 1 1 2 SER HB3 H -16.659 3.816 -4.269 1.00 . A A . 2 SER HB3 1 1 19 7901 1 1 2 SER HG H -18.714 5.752 -4.505 1.00 . A A . 2 SER HG 1 1 19 7902 1 1 2 SER N N -17.469 6.182 -2.023 1.00 . A A . 2 SER N 1 1 19 7903 1 1 2 SER O O -15.254 4.927 -1.131 1.00 . A A . 2 SER O 1 1 19 7904 1 1 2 SER OG O -18.376 4.861 -4.616 1.00 . A A . 2 SER OG 1 1 19 7905 1 1 3 THR C C -14.675 2.284 0.085 1.00 . A A . 3 THR C 1 1 19 7906 1 1 3 THR CA C -14.633 2.243 -1.439 1.00 . A A . 3 THR CA 1 1 19 7907 1 1 3 THR CB C -13.335 2.879 -1.943 1.00 . A A . 3 THR CB 1 1 19 7908 1 1 3 THR CG2 C -12.090 2.206 -1.408 1.00 . A A . 3 THR CG2 1 1 19 7909 1 1 3 THR H H -16.421 2.416 -2.559 1.00 . A A . 3 THR H 1 1 19 7910 1 1 3 THR HA H -14.666 1.212 -1.760 1.00 . A A . 3 THR HA 1 1 19 7911 1 1 3 THR HB H -13.311 3.914 -1.634 1.00 . A A . 3 THR HB 1 1 19 7912 1 1 3 THR HG1 H -13.428 3.715 -3.713 1.00 . A A . 3 THR HG1 1 1 19 7913 1 1 3 THR HG21 H -11.984 1.232 -1.861 1.00 . A A . 3 THR HG21 1 1 19 7914 1 1 3 THR HG22 H -12.172 2.097 -0.336 1.00 . A A . 3 THR HG22 1 1 19 7915 1 1 3 THR HG23 H -11.225 2.809 -1.644 1.00 . A A . 3 THR HG23 1 1 19 7916 1 1 3 THR N N -15.788 2.926 -2.011 1.00 . A A . 3 THR N 1 1 19 7917 1 1 3 THR O O -15.221 3.216 0.676 1.00 . A A . 3 THR O 1 1 19 7918 1 1 3 THR OG1 O -13.272 2.836 -3.358 1.00 . A A . 3 THR OG1 1 1 19 7919 1 1 4 SER C C -13.069 2.192 2.747 1.00 . A A . 4 SER C 1 1 19 7920 1 1 4 SER CA C -14.064 1.190 2.171 1.00 . A A . 4 SER CA 1 1 19 7921 1 1 4 SER CB C -13.701 -0.227 2.619 1.00 . A A . 4 SER CB 1 1 19 7922 1 1 4 SER H H -13.674 0.556 0.190 1.00 . A A . 4 SER H 1 1 19 7923 1 1 4 SER HA H -15.052 1.431 2.535 1.00 . A A . 4 SER HA 1 1 19 7924 1 1 4 SER HB2 H -12.893 -0.600 2.008 1.00 . A A . 4 SER HB2 1 1 19 7925 1 1 4 SER HB3 H -13.389 -0.206 3.653 1.00 . A A . 4 SER HB3 1 1 19 7926 1 1 4 SER HG H -14.498 -1.982 2.270 1.00 . A A . 4 SER HG 1 1 19 7927 1 1 4 SER N N -14.094 1.268 0.716 1.00 . A A . 4 SER N 1 1 19 7928 1 1 4 SER O O -13.456 3.250 3.243 1.00 . A A . 4 SER O 1 1 19 7929 1 1 4 SER OG O -14.808 -1.101 2.494 1.00 . A A . 4 SER OG 1 1 19 7930 1 1 5 ALA C C -9.387 2.396 2.566 1.00 . A A . 5 ALA C 1 1 19 7931 1 1 5 ALA CA C -10.736 2.725 3.193 1.00 . A A . 5 ALA CA 1 1 19 7932 1 1 5 ALA CB C -10.652 2.614 4.707 1.00 . A A . 5 ALA CB 1 1 19 7933 1 1 5 ALA H H -11.538 0.997 2.271 1.00 . A A . 5 ALA H 1 1 19 7934 1 1 5 ALA HA H -10.999 3.744 2.945 1.00 . A A . 5 ALA HA 1 1 19 7935 1 1 5 ALA HB1 H -10.572 1.574 4.987 1.00 . A A . 5 ALA HB1 1 1 19 7936 1 1 5 ALA HB2 H -11.541 3.039 5.149 1.00 . A A . 5 ALA HB2 1 1 19 7937 1 1 5 ALA HB3 H -9.783 3.150 5.059 1.00 . A A . 5 ALA HB3 1 1 19 7938 1 1 5 ALA N N -11.785 1.853 2.678 1.00 . A A . 5 ALA N 1 1 19 7939 1 1 5 ALA O O -8.837 1.317 2.783 1.00 . A A . 5 ALA O 1 1 19 7940 1 1 6 MET C C -6.439 3.234 2.157 1.00 . A A . 6 MET C 1 1 19 7941 1 1 6 MET CA C -7.570 3.150 1.140 1.00 . A A . 6 MET CA 1 1 19 7942 1 1 6 MET CB C -7.376 4.212 0.063 1.00 . A A . 6 MET CB 1 1 19 7943 1 1 6 MET CE C -9.863 5.663 -2.770 1.00 . A A . 6 MET CE 1 1 19 7944 1 1 6 MET CG C -8.316 4.060 -1.122 1.00 . A A . 6 MET CG 1 1 19 7945 1 1 6 MET H H -9.335 4.178 1.659 1.00 . A A . 6 MET H 1 1 19 7946 1 1 6 MET HA H -7.562 2.173 0.682 1.00 . A A . 6 MET HA 1 1 19 7947 1 1 6 MET HB2 H -7.538 5.181 0.503 1.00 . A A . 6 MET HB2 1 1 19 7948 1 1 6 MET HB3 H -6.365 4.161 -0.298 1.00 . A A . 6 MET HB3 1 1 19 7949 1 1 6 MET HE1 H -10.845 5.400 -3.133 1.00 . A A . 6 MET HE1 1 1 19 7950 1 1 6 MET HE2 H -9.113 5.145 -3.350 1.00 . A A . 6 MET HE2 1 1 19 7951 1 1 6 MET HE3 H -9.718 6.730 -2.866 1.00 . A A . 6 MET HE3 1 1 19 7952 1 1 6 MET HG2 H -7.763 4.253 -2.030 1.00 . A A . 6 MET HG2 1 1 19 7953 1 1 6 MET HG3 H -8.690 3.047 -1.139 1.00 . A A . 6 MET HG3 1 1 19 7954 1 1 6 MET N N -8.855 3.336 1.792 1.00 . A A . 6 MET N 1 1 19 7955 1 1 6 MET O O -6.668 3.533 3.329 1.00 . A A . 6 MET O 1 1 19 7956 1 1 6 MET SD S -9.717 5.193 -1.048 1.00 . A A . 6 MET SD 1 1 19 7957 1 1 7 TRP C C -2.881 3.738 1.922 1.00 . A A . 7 TRP C 1 1 19 7958 1 1 7 TRP CA C -4.060 3.045 2.588 1.00 . A A . 7 TRP CA 1 1 19 7959 1 1 7 TRP CB C -3.646 1.652 3.076 1.00 . A A . 7 TRP CB 1 1 19 7960 1 1 7 TRP CD1 C -4.275 -0.088 1.281 1.00 . A A . 7 TRP CD1 1 1 19 7961 1 1 7 TRP CD2 C -2.072 0.258 1.505 1.00 . A A . 7 TRP CD2 1 1 19 7962 1 1 7 TRP CE2 C -2.274 -0.719 0.510 1.00 . A A . 7 TRP CE2 1 1 19 7963 1 1 7 TRP CE3 C -0.763 0.639 1.815 1.00 . A A . 7 TRP CE3 1 1 19 7964 1 1 7 TRP CG C -3.363 0.651 1.988 1.00 . A A . 7 TRP CG 1 1 19 7965 1 1 7 TRP CH2 C 0.053 -0.926 0.153 1.00 . A A . 7 TRP CH2 1 1 19 7966 1 1 7 TRP CZ2 C -1.219 -1.319 -0.172 1.00 . A A . 7 TRP CZ2 1 1 19 7967 1 1 7 TRP CZ3 C 0.285 0.044 1.135 1.00 . A A . 7 TRP CZ3 1 1 19 7968 1 1 7 TRP H H -5.094 2.759 0.759 1.00 . A A . 7 TRP H 1 1 19 7969 1 1 7 TRP HA H -4.350 3.632 3.446 1.00 . A A . 7 TRP HA 1 1 19 7970 1 1 7 TRP HB2 H -2.749 1.747 3.668 1.00 . A A . 7 TRP HB2 1 1 19 7971 1 1 7 TRP HB3 H -4.431 1.258 3.697 1.00 . A A . 7 TRP HB3 1 1 19 7972 1 1 7 TRP HD1 H -5.345 -0.022 1.415 1.00 . A A . 7 TRP HD1 1 1 19 7973 1 1 7 TRP HE1 H -4.057 -1.541 -0.234 1.00 . A A . 7 TRP HE1 1 1 19 7974 1 1 7 TRP HE3 H -0.563 1.386 2.570 1.00 . A A . 7 TRP HE3 1 1 19 7975 1 1 7 TRP HH2 H 0.904 -1.362 -0.356 1.00 . A A . 7 TRP HH2 1 1 19 7976 1 1 7 TRP HZ2 H -1.384 -2.076 -0.925 1.00 . A A . 7 TRP HZ2 1 1 19 7977 1 1 7 TRP HZ3 H 1.302 0.326 1.363 1.00 . A A . 7 TRP HZ3 1 1 19 7978 1 1 7 TRP N N -5.218 2.981 1.703 1.00 . A A . 7 TRP N 1 1 19 7979 1 1 7 TRP NE1 N -3.624 -0.914 0.390 1.00 . A A . 7 TRP NE1 1 1 19 7980 1 1 7 TRP O O -2.808 3.842 0.699 1.00 . A A . 7 TRP O 1 1 19 7981 1 1 8 ALA C C 0.470 4.035 2.484 1.00 . A A . 8 ALA C 1 1 19 7982 1 1 8 ALA CA C -0.768 4.898 2.275 1.00 . A A . 8 ALA CA 1 1 19 7983 1 1 8 ALA CB C -0.610 6.236 2.982 1.00 . A A . 8 ALA CB 1 1 19 7984 1 1 8 ALA H H -2.087 4.083 3.718 1.00 . A A . 8 ALA H 1 1 19 7985 1 1 8 ALA HA H -0.891 5.086 1.217 1.00 . A A . 8 ALA HA 1 1 19 7986 1 1 8 ALA HB1 H 0.191 6.795 2.520 1.00 . A A . 8 ALA HB1 1 1 19 7987 1 1 8 ALA HB2 H -0.377 6.067 4.023 1.00 . A A . 8 ALA HB2 1 1 19 7988 1 1 8 ALA HB3 H -1.531 6.794 2.905 1.00 . A A . 8 ALA HB3 1 1 19 7989 1 1 8 ALA N N -1.960 4.208 2.753 1.00 . A A . 8 ALA N 1 1 19 7990 1 1 8 ALA O O 0.826 3.707 3.616 1.00 . A A . 8 ALA O 1 1 19 7991 1 1 9 CYS C C 3.467 3.564 2.102 1.00 . A A . 9 CYS C 1 1 19 7992 1 1 9 CYS CA C 2.306 2.831 1.448 1.00 . A A . 9 CYS CA 1 1 19 7993 1 1 9 CYS CB C 2.703 2.378 0.047 1.00 . A A . 9 CYS CB 1 1 19 7994 1 1 9 CYS H H 0.785 3.955 0.514 1.00 . A A . 9 CYS H 1 1 19 7995 1 1 9 CYS HA H 2.068 1.963 2.040 1.00 . A A . 9 CYS HA 1 1 19 7996 1 1 9 CYS HB2 H 1.815 2.073 -0.491 1.00 . A A . 9 CYS HB2 1 1 19 7997 1 1 9 CYS HB3 H 3.165 3.203 -0.472 1.00 . A A . 9 CYS HB3 1 1 19 7998 1 1 9 CYS N N 1.115 3.663 1.388 1.00 . A A . 9 CYS N 1 1 19 7999 1 1 9 CYS O O 3.463 4.792 2.205 1.00 . A A . 9 CYS O 1 1 19 8000 1 1 9 CYS SG S 3.864 0.989 0.020 1.00 . A A . 9 CYS SG 1 1 19 8001 1 1 10 GLN C C 6.902 3.038 2.379 1.00 . A A . 10 GLN C 1 1 19 8002 1 1 10 GLN CA C 5.640 3.379 3.169 1.00 . A A . 10 GLN CA 1 1 19 8003 1 1 10 GLN CB C 5.773 2.878 4.609 1.00 . A A . 10 GLN CB 1 1 19 8004 1 1 10 GLN CD C 3.951 1.363 5.485 1.00 . A A . 10 GLN CD 1 1 19 8005 1 1 10 GLN CG C 4.448 2.789 5.350 1.00 . A A . 10 GLN CG 1 1 19 8006 1 1 10 GLN H H 4.413 1.833 2.420 1.00 . A A . 10 GLN H 1 1 19 8007 1 1 10 GLN HA H 5.513 4.451 3.179 1.00 . A A . 10 GLN HA 1 1 19 8008 1 1 10 GLN HB2 H 6.219 1.894 4.596 1.00 . A A . 10 GLN HB2 1 1 19 8009 1 1 10 GLN HB3 H 6.420 3.549 5.154 1.00 . A A . 10 GLN HB3 1 1 19 8010 1 1 10 GLN HE21 H 2.961 1.518 3.767 1.00 . A A . 10 GLN HE21 1 1 19 8011 1 1 10 GLN HE22 H 2.836 -0.006 4.570 1.00 . A A . 10 GLN HE22 1 1 19 8012 1 1 10 GLN HG2 H 4.574 3.204 6.339 1.00 . A A . 10 GLN HG2 1 1 19 8013 1 1 10 GLN HG3 H 3.709 3.363 4.811 1.00 . A A . 10 GLN HG3 1 1 19 8014 1 1 10 GLN N N 4.466 2.804 2.534 1.00 . A A . 10 GLN N 1 1 19 8015 1 1 10 GLN NE2 N 3.170 0.912 4.509 1.00 . A A . 10 GLN NE2 1 1 19 8016 1 1 10 GLN O O 7.976 2.860 2.952 1.00 . A A . 10 GLN O 1 1 19 8017 1 1 10 GLN OE1 O 4.264 0.673 6.455 1.00 . A A . 10 GLN OE1 1 1 19 8018 1 1 11 HIS C C 7.834 3.536 -1.044 1.00 . A A . 11 HIS C 1 1 19 8019 1 1 11 HIS CA C 7.887 2.645 0.185 1.00 . A A . 11 HIS CA 1 1 19 8020 1 1 11 HIS CB C 7.857 1.172 -0.228 1.00 . A A . 11 HIS CB 1 1 19 8021 1 1 11 HIS CD2 C 10.106 0.570 -1.357 1.00 . A A . 11 HIS CD2 1 1 19 8022 1 1 11 HIS CE1 C 10.988 -0.599 0.282 1.00 . A A . 11 HIS CE1 1 1 19 8023 1 1 11 HIS CG C 9.211 0.556 -0.343 1.00 . A A . 11 HIS CG 1 1 19 8024 1 1 11 HIS H H 5.881 3.114 0.654 1.00 . A A . 11 HIS H 1 1 19 8025 1 1 11 HIS HA H 8.799 2.845 0.727 1.00 . A A . 11 HIS HA 1 1 19 8026 1 1 11 HIS HB2 H 7.298 0.610 0.505 1.00 . A A . 11 HIS HB2 1 1 19 8027 1 1 11 HIS HB3 H 7.370 1.084 -1.189 1.00 . A A . 11 HIS HB3 1 1 19 8028 1 1 11 HIS HD1 H 9.382 -0.375 1.539 1.00 . A A . 11 HIS HD1 1 1 19 8029 1 1 11 HIS HD2 H 9.993 1.057 -2.313 1.00 . A A . 11 HIS HD2 1 1 19 8030 1 1 11 HIS HE1 H 11.662 -1.194 0.866 1.00 . A A . 11 HIS HE1 1 1 19 8031 1 1 11 HIS HE2 H 11.969 -0.388 -1.500 1.00 . A A . 11 HIS HE2 1 1 19 8032 1 1 11 HIS N N 6.763 2.954 1.057 1.00 . A A . 11 HIS N 1 1 19 8033 1 1 11 HIS ND1 N 9.791 -0.184 0.668 1.00 . A A . 11 HIS ND1 1 1 19 8034 1 1 11 HIS NE2 N 11.201 -0.153 -0.943 1.00 . A A . 11 HIS NE2 1 1 19 8035 1 1 11 HIS O O 8.750 4.316 -1.304 1.00 . A A . 11 HIS O 1 1 19 8036 1 1 12 CYS C C 5.943 5.589 -2.549 1.00 . A A . 12 CYS C 1 1 19 8037 1 1 12 CYS CA C 6.528 4.244 -2.958 1.00 . A A . 12 CYS CA 1 1 19 8038 1 1 12 CYS CB C 5.589 3.532 -3.922 1.00 . A A . 12 CYS CB 1 1 19 8039 1 1 12 CYS H H 6.032 2.813 -1.511 1.00 . A A . 12 CYS H 1 1 19 8040 1 1 12 CYS HA H 7.484 4.402 -3.435 1.00 . A A . 12 CYS HA 1 1 19 8041 1 1 12 CYS HB2 H 5.310 4.219 -4.686 1.00 . A A . 12 CYS HB2 1 1 19 8042 1 1 12 CYS HB3 H 6.103 2.692 -4.365 1.00 . A A . 12 CYS HB3 1 1 19 8043 1 1 12 CYS N N 6.735 3.434 -1.781 1.00 . A A . 12 CYS N 1 1 19 8044 1 1 12 CYS O O 6.239 6.618 -3.151 1.00 . A A . 12 CYS O 1 1 19 8045 1 1 12 CYS SG S 4.064 2.917 -3.175 1.00 . A A . 12 CYS SG 1 1 19 8046 1 1 13 THR C C 3.229 7.135 -1.752 1.00 . A A . 13 THR C 1 1 19 8047 1 1 13 THR CA C 4.467 6.740 -0.949 1.00 . A A . 13 THR CA 1 1 19 8048 1 1 13 THR CB C 5.460 7.913 -0.835 1.00 . A A . 13 THR CB 1 1 19 8049 1 1 13 THR CG2 C 5.501 8.837 -2.040 1.00 . A A . 13 THR CG2 1 1 19 8050 1 1 13 THR H H 4.942 4.680 -1.081 1.00 . A A . 13 THR H 1 1 19 8051 1 1 13 THR HA H 4.142 6.479 0.047 1.00 . A A . 13 THR HA 1 1 19 8052 1 1 13 THR HB H 6.450 7.506 -0.699 1.00 . A A . 13 THR HB 1 1 19 8053 1 1 13 THR HG1 H 4.248 9.014 0.237 1.00 . A A . 13 THR HG1 1 1 19 8054 1 1 13 THR HG21 H 4.983 8.379 -2.868 1.00 . A A . 13 THR HG21 1 1 19 8055 1 1 13 THR HG22 H 6.529 9.021 -2.316 1.00 . A A . 13 THR HG22 1 1 19 8056 1 1 13 THR HG23 H 5.023 9.773 -1.790 1.00 . A A . 13 THR HG23 1 1 19 8057 1 1 13 THR N N 5.118 5.549 -1.503 1.00 . A A . 13 THR N 1 1 19 8058 1 1 13 THR O O 2.944 8.317 -1.942 1.00 . A A . 13 THR O 1 1 19 8059 1 1 13 THR OG1 O 5.156 8.710 0.295 1.00 . A A . 13 THR OG1 1 1 19 8060 1 1 14 PHE C C 0.069 5.789 -2.239 1.00 . A A . 14 PHE C 1 1 19 8061 1 1 14 PHE CA C 1.272 6.369 -2.964 1.00 . A A . 14 PHE CA 1 1 19 8062 1 1 14 PHE CB C 1.389 5.748 -4.354 1.00 . A A . 14 PHE CB 1 1 19 8063 1 1 14 PHE CD1 C -0.104 7.323 -5.614 1.00 . A A . 14 PHE CD1 1 1 19 8064 1 1 14 PHE CD2 C -0.577 4.988 -5.715 1.00 . A A . 14 PHE CD2 1 1 19 8065 1 1 14 PHE CE1 C -1.186 7.580 -6.435 1.00 . A A . 14 PHE CE1 1 1 19 8066 1 1 14 PHE CE2 C -1.660 5.239 -6.536 1.00 . A A . 14 PHE CE2 1 1 19 8067 1 1 14 PHE CG C 0.212 6.025 -5.245 1.00 . A A . 14 PHE CG 1 1 19 8068 1 1 14 PHE CZ C -1.965 6.537 -6.897 1.00 . A A . 14 PHE CZ 1 1 19 8069 1 1 14 PHE H H 2.750 5.214 -2.007 1.00 . A A . 14 PHE H 1 1 19 8070 1 1 14 PHE HA H 1.140 7.435 -3.064 1.00 . A A . 14 PHE HA 1 1 19 8071 1 1 14 PHE HB2 H 2.265 6.141 -4.836 1.00 . A A . 14 PHE HB2 1 1 19 8072 1 1 14 PHE HB3 H 1.488 4.679 -4.254 1.00 . A A . 14 PHE HB3 1 1 19 8073 1 1 14 PHE HD1 H 0.504 8.139 -5.254 1.00 . A A . 14 PHE HD1 1 1 19 8074 1 1 14 PHE HD2 H -0.340 3.972 -5.434 1.00 . A A . 14 PHE HD2 1 1 19 8075 1 1 14 PHE HE1 H -1.422 8.597 -6.715 1.00 . A A . 14 PHE HE1 1 1 19 8076 1 1 14 PHE HE2 H -2.267 4.421 -6.896 1.00 . A A . 14 PHE HE2 1 1 19 8077 1 1 14 PHE HZ H -2.811 6.735 -7.537 1.00 . A A . 14 PHE HZ 1 1 19 8078 1 1 14 PHE N N 2.484 6.134 -2.202 1.00 . A A . 14 PHE N 1 1 19 8079 1 1 14 PHE O O 0.209 4.981 -1.321 1.00 . A A . 14 PHE O 1 1 19 8080 1 1 15 MET C C -2.760 4.414 -2.728 1.00 . A A . 15 MET C 1 1 19 8081 1 1 15 MET CA C -2.348 5.716 -2.073 1.00 . A A . 15 MET CA 1 1 19 8082 1 1 15 MET CB C -3.460 6.758 -2.211 1.00 . A A . 15 MET CB 1 1 19 8083 1 1 15 MET CE C -6.854 7.561 -2.222 1.00 . A A . 15 MET CE 1 1 19 8084 1 1 15 MET CG C -4.474 6.718 -1.081 1.00 . A A . 15 MET CG 1 1 19 8085 1 1 15 MET H H -1.147 6.834 -3.406 1.00 . A A . 15 MET H 1 1 19 8086 1 1 15 MET HA H -2.165 5.522 -1.024 1.00 . A A . 15 MET HA 1 1 19 8087 1 1 15 MET HB2 H -3.015 7.741 -2.232 1.00 . A A . 15 MET HB2 1 1 19 8088 1 1 15 MET HB3 H -3.982 6.589 -3.141 1.00 . A A . 15 MET HB3 1 1 19 8089 1 1 15 MET HE1 H -7.060 6.519 -2.031 1.00 . A A . 15 MET HE1 1 1 19 8090 1 1 15 MET HE2 H -6.512 7.679 -3.240 1.00 . A A . 15 MET HE2 1 1 19 8091 1 1 15 MET HE3 H -7.755 8.138 -2.076 1.00 . A A . 15 MET HE3 1 1 19 8092 1 1 15 MET HG2 H -5.063 5.817 -1.173 1.00 . A A . 15 MET HG2 1 1 19 8093 1 1 15 MET HG3 H -3.944 6.704 -0.139 1.00 . A A . 15 MET HG3 1 1 19 8094 1 1 15 MET N N -1.111 6.199 -2.667 1.00 . A A . 15 MET N 1 1 19 8095 1 1 15 MET O O -2.440 4.161 -3.890 1.00 . A A . 15 MET O 1 1 19 8096 1 1 15 MET SD S -5.588 8.137 -1.095 1.00 . A A . 15 MET SD 1 1 19 8097 1 1 16 ASN C C -5.256 1.912 -2.008 1.00 . A A . 16 ASN C 1 1 19 8098 1 1 16 ASN CA C -3.846 2.278 -2.467 1.00 . A A . 16 ASN CA 1 1 19 8099 1 1 16 ASN CB C -2.846 1.244 -1.979 1.00 . A A . 16 ASN CB 1 1 19 8100 1 1 16 ASN CG C -2.629 0.129 -2.974 1.00 . A A . 16 ASN CG 1 1 19 8101 1 1 16 ASN H H -3.636 3.815 -1.039 1.00 . A A . 16 ASN H 1 1 19 8102 1 1 16 ASN HA H -3.822 2.309 -3.544 1.00 . A A . 16 ASN HA 1 1 19 8103 1 1 16 ASN HB2 H -1.898 1.730 -1.802 1.00 . A A . 16 ASN HB2 1 1 19 8104 1 1 16 ASN HB3 H -3.204 0.828 -1.057 1.00 . A A . 16 ASN HB3 1 1 19 8105 1 1 16 ASN HD21 H -1.261 1.219 -3.922 1.00 . A A . 16 ASN HD21 1 1 19 8106 1 1 16 ASN HD22 H -1.568 -0.345 -4.587 1.00 . A A . 16 ASN HD22 1 1 19 8107 1 1 16 ASN N N -3.436 3.573 -1.968 1.00 . A A . 16 ASN N 1 1 19 8108 1 1 16 ASN ND2 N -1.727 0.356 -3.923 1.00 . A A . 16 ASN ND2 1 1 19 8109 1 1 16 ASN O O -5.683 2.290 -0.919 1.00 . A A . 16 ASN O 1 1 19 8110 1 1 16 ASN OD1 O -3.257 -0.919 -2.892 1.00 . A A . 16 ASN OD1 1 1 19 8111 1 1 17 GLN C C -7.360 -0.201 -1.337 1.00 . A A . 17 GLN C 1 1 19 8112 1 1 17 GLN CA C -7.333 0.749 -2.536 1.00 . A A . 17 GLN CA 1 1 19 8113 1 1 17 GLN CB C -7.964 0.080 -3.751 1.00 . A A . 17 GLN CB 1 1 19 8114 1 1 17 GLN CD C -10.073 1.394 -4.229 1.00 . A A . 17 GLN CD 1 1 19 8115 1 1 17 GLN CG C -8.668 1.051 -4.686 1.00 . A A . 17 GLN CG 1 1 19 8116 1 1 17 GLN H H -5.572 0.896 -3.701 1.00 . A A . 17 GLN H 1 1 19 8117 1 1 17 GLN HA H -7.899 1.626 -2.297 1.00 . A A . 17 GLN HA 1 1 19 8118 1 1 17 GLN HB2 H -7.189 -0.410 -4.302 1.00 . A A . 17 GLN HB2 1 1 19 8119 1 1 17 GLN HB3 H -8.682 -0.654 -3.417 1.00 . A A . 17 GLN HB3 1 1 19 8120 1 1 17 GLN HE21 H -9.561 3.303 -4.011 1.00 . A A . 17 GLN HE21 1 1 19 8121 1 1 17 GLN HE22 H -11.200 2.916 -3.627 1.00 . A A . 17 GLN HE22 1 1 19 8122 1 1 17 GLN HG2 H -8.092 1.962 -4.738 1.00 . A A . 17 GLN HG2 1 1 19 8123 1 1 17 GLN HG3 H -8.724 0.607 -5.668 1.00 . A A . 17 GLN HG3 1 1 19 8124 1 1 17 GLN N N -5.971 1.168 -2.848 1.00 . A A . 17 GLN N 1 1 19 8125 1 1 17 GLN NE2 N -10.301 2.666 -3.925 1.00 . A A . 17 GLN NE2 1 1 19 8126 1 1 17 GLN O O -6.328 -0.747 -0.944 1.00 . A A . 17 GLN O 1 1 19 8127 1 1 17 GLN OE1 O -10.943 0.526 -4.152 1.00 . A A . 17 GLN OE1 1 1 19 8128 1 1 18 PRO C C -8.627 -2.772 0.077 1.00 . A A . 18 PRO C 1 1 19 8129 1 1 18 PRO CA C -8.702 -1.288 0.431 1.00 . A A . 18 PRO CA 1 1 19 8130 1 1 18 PRO CB C -10.099 -0.940 0.946 1.00 . A A . 18 PRO CB 1 1 19 8131 1 1 18 PRO CD C -9.825 0.212 -1.133 1.00 . A A . 18 PRO CD 1 1 19 8132 1 1 18 PRO CG C -10.839 -0.476 -0.259 1.00 . A A . 18 PRO CG 1 1 19 8133 1 1 18 PRO HA H -7.972 -1.066 1.194 1.00 . A A . 18 PRO HA 1 1 19 8134 1 1 18 PRO HB2 H -10.555 -1.819 1.377 1.00 . A A . 18 PRO HB2 1 1 19 8135 1 1 18 PRO HB3 H -10.029 -0.162 1.690 1.00 . A A . 18 PRO HB3 1 1 19 8136 1 1 18 PRO HD2 H -10.036 0.021 -2.173 1.00 . A A . 18 PRO HD2 1 1 19 8137 1 1 18 PRO HD3 H -9.816 1.274 -0.937 1.00 . A A . 18 PRO HD3 1 1 19 8138 1 1 18 PRO HG2 H -11.267 -1.321 -0.775 1.00 . A A . 18 PRO HG2 1 1 19 8139 1 1 18 PRO HG3 H -11.614 0.219 0.032 1.00 . A A . 18 PRO HG3 1 1 19 8140 1 1 18 PRO N N -8.546 -0.407 -0.734 1.00 . A A . 18 PRO N 1 1 19 8141 1 1 18 PRO O O -8.660 -3.628 0.961 1.00 . A A . 18 PRO O 1 1 19 8142 1 1 19 GLY C C -7.053 -4.848 -2.095 1.00 . A A . 19 GLY C 1 1 19 8143 1 1 19 GLY CA C -8.446 -4.461 -1.641 1.00 . A A . 19 GLY CA 1 1 19 8144 1 1 19 GLY H H -8.500 -2.358 -1.879 1.00 . A A . 19 GLY H 1 1 19 8145 1 1 19 GLY HA2 H -8.735 -5.098 -0.817 1.00 . A A . 19 GLY HA2 1 1 19 8146 1 1 19 GLY HA3 H -9.135 -4.614 -2.458 1.00 . A A . 19 GLY HA3 1 1 19 8147 1 1 19 GLY N N -8.524 -3.077 -1.213 1.00 . A A . 19 GLY N 1 1 19 8148 1 1 19 GLY O O -6.715 -6.031 -2.150 1.00 . A A . 19 GLY O 1 1 19 8149 1 1 20 THR C C -3.894 -3.973 -1.728 1.00 . A A . 20 THR C 1 1 19 8150 1 1 20 THR CA C -4.881 -4.077 -2.878 1.00 . A A . 20 THR CA 1 1 19 8151 1 1 20 THR CB C -4.513 -3.066 -3.958 1.00 . A A . 20 THR CB 1 1 19 8152 1 1 20 THR CG2 C -4.719 -3.589 -5.355 1.00 . A A . 20 THR CG2 1 1 19 8153 1 1 20 THR H H -6.576 -2.927 -2.359 1.00 . A A . 20 THR H 1 1 19 8154 1 1 20 THR HA H -4.824 -5.070 -3.296 1.00 . A A . 20 THR HA 1 1 19 8155 1 1 20 THR HB H -3.471 -2.809 -3.853 1.00 . A A . 20 THR HB 1 1 19 8156 1 1 20 THR HG1 H -6.191 -2.063 -4.085 1.00 . A A . 20 THR HG1 1 1 19 8157 1 1 20 THR HG21 H -4.340 -2.871 -6.065 1.00 . A A . 20 THR HG21 1 1 19 8158 1 1 20 THR HG22 H -5.773 -3.744 -5.527 1.00 . A A . 20 THR HG22 1 1 19 8159 1 1 20 THR HG23 H -4.191 -4.523 -5.468 1.00 . A A . 20 THR HG23 1 1 19 8160 1 1 20 THR N N -6.246 -3.847 -2.423 1.00 . A A . 20 THR N 1 1 19 8161 1 1 20 THR O O -3.162 -2.992 -1.618 1.00 . A A . 20 THR O 1 1 19 8162 1 1 20 THR OG1 O -5.284 -1.885 -3.825 1.00 . A A . 20 THR OG1 1 1 19 8163 1 1 21 GLY C C -1.506 -4.822 -0.242 1.00 . A A . 21 GLY C 1 1 19 8164 1 1 21 GLY CA C -2.932 -4.974 0.233 1.00 . A A . 21 GLY CA 1 1 19 8165 1 1 21 GLY H H -4.455 -5.757 -1.013 1.00 . A A . 21 GLY H 1 1 19 8166 1 1 21 GLY HA2 H -3.178 -4.149 0.886 1.00 . A A . 21 GLY HA2 1 1 19 8167 1 1 21 GLY HA3 H -3.021 -5.893 0.781 1.00 . A A . 21 GLY HA3 1 1 19 8168 1 1 21 GLY N N -3.860 -4.990 -0.878 1.00 . A A . 21 GLY N 1 1 19 8169 1 1 21 GLY O O -0.667 -4.245 0.450 1.00 . A A . 21 GLY O 1 1 19 8170 1 1 22 HIS C C 0.359 -3.771 -2.415 1.00 . A A . 22 HIS C 1 1 19 8171 1 1 22 HIS CA C 0.095 -5.221 -2.013 1.00 . A A . 22 HIS CA 1 1 19 8172 1 1 22 HIS CB C 0.246 -6.170 -3.207 1.00 . A A . 22 HIS CB 1 1 19 8173 1 1 22 HIS CD2 C 1.500 -8.413 -2.856 1.00 . A A . 22 HIS CD2 1 1 19 8174 1 1 22 HIS CE1 C -0.164 -9.589 -2.048 1.00 . A A . 22 HIS CE1 1 1 19 8175 1 1 22 HIS CG C 0.415 -7.605 -2.812 1.00 . A A . 22 HIS CG 1 1 19 8176 1 1 22 HIS H H -1.947 -5.759 -1.956 1.00 . A A . 22 HIS H 1 1 19 8177 1 1 22 HIS HA H 0.800 -5.500 -1.246 1.00 . A A . 22 HIS HA 1 1 19 8178 1 1 22 HIS HB2 H -0.635 -6.100 -3.826 1.00 . A A . 22 HIS HB2 1 1 19 8179 1 1 22 HIS HB3 H 1.111 -5.878 -3.784 1.00 . A A . 22 HIS HB3 1 1 19 8180 1 1 22 HIS HD1 H -1.531 -8.069 -2.148 1.00 . A A . 22 HIS HD1 1 1 19 8181 1 1 22 HIS HD2 H 2.487 -8.144 -3.205 1.00 . A A . 22 HIS HD2 1 1 19 8182 1 1 22 HIS HE1 H -0.746 -10.403 -1.643 1.00 . A A . 22 HIS HE1 1 1 19 8183 1 1 22 HIS HE2 H 1.709 -10.400 -2.210 1.00 . A A . 22 HIS HE2 1 1 19 8184 1 1 22 HIS N N -1.233 -5.324 -1.441 1.00 . A A . 22 HIS N 1 1 19 8185 1 1 22 HIS ND1 N -0.611 -8.372 -2.302 1.00 . A A . 22 HIS ND1 1 1 19 8186 1 1 22 HIS NE2 N 1.113 -9.640 -2.376 1.00 . A A . 22 HIS NE2 1 1 19 8187 1 1 22 HIS O O 0.516 -2.918 -1.552 1.00 . A A . 22 HIS O 1 1 19 8188 1 1 23 CYS C C 0.756 -2.058 -5.690 1.00 . A A . 23 CYS C 1 1 19 8189 1 1 23 CYS CA C 0.614 -2.120 -4.177 1.00 . A A . 23 CYS CA 1 1 19 8190 1 1 23 CYS CB C 1.855 -1.517 -3.525 1.00 . A A . 23 CYS CB 1 1 19 8191 1 1 23 CYS H H 0.255 -4.186 -4.368 1.00 . A A . 23 CYS H 1 1 19 8192 1 1 23 CYS HA H -0.245 -1.534 -3.888 1.00 . A A . 23 CYS HA 1 1 19 8193 1 1 23 CYS HB2 H 2.207 -2.174 -2.749 1.00 . A A . 23 CYS HB2 1 1 19 8194 1 1 23 CYS HB3 H 2.625 -1.413 -4.266 1.00 . A A . 23 CYS HB3 1 1 19 8195 1 1 23 CYS N N 0.392 -3.481 -3.713 1.00 . A A . 23 CYS N 1 1 19 8196 1 1 23 CYS O O 1.202 -3.014 -6.327 1.00 . A A . 23 CYS O 1 1 19 8197 1 1 23 CYS SG S 1.574 0.111 -2.792 1.00 . A A . 23 CYS SG 1 1 19 8198 1 1 24 GLU C C 1.680 0.199 -8.002 1.00 . A A . 24 GLU C 1 1 19 8199 1 1 24 GLU CA C 0.489 -0.701 -7.689 1.00 . A A . 24 GLU CA 1 1 19 8200 1 1 24 GLU CB C -0.801 -0.078 -8.228 1.00 . A A . 24 GLU CB 1 1 19 8201 1 1 24 GLU CD C -1.433 -0.866 -10.543 1.00 . A A . 24 GLU CD 1 1 19 8202 1 1 24 GLU CG C -1.642 -1.039 -9.051 1.00 . A A . 24 GLU CG 1 1 19 8203 1 1 24 GLU H H 0.057 -0.189 -5.687 1.00 . A A . 24 GLU H 1 1 19 8204 1 1 24 GLU HA H 0.642 -1.661 -8.160 1.00 . A A . 24 GLU HA 1 1 19 8205 1 1 24 GLU HB2 H -1.396 0.262 -7.394 1.00 . A A . 24 GLU HB2 1 1 19 8206 1 1 24 GLU HB3 H -0.549 0.768 -8.849 1.00 . A A . 24 GLU HB3 1 1 19 8207 1 1 24 GLU HG2 H -1.378 -2.051 -8.782 1.00 . A A . 24 GLU HG2 1 1 19 8208 1 1 24 GLU HG3 H -2.685 -0.868 -8.826 1.00 . A A . 24 GLU HG3 1 1 19 8209 1 1 24 GLU N N 0.389 -0.914 -6.254 1.00 . A A . 24 GLU N 1 1 19 8210 1 1 24 GLU O O 1.707 0.877 -9.029 1.00 . A A . 24 GLU O 1 1 19 8211 1 1 24 GLU OE1 O -2.070 0.033 -11.131 1.00 . A A . 24 GLU OE1 1 1 19 8212 1 1 24 GLU OE2 O -0.632 -1.628 -11.123 1.00 . A A . 24 GLU OE2 1 1 19 8213 1 1 25 MET C C 5.099 0.168 -6.999 1.00 . A A . 25 MET C 1 1 19 8214 1 1 25 MET CA C 3.861 1.004 -7.280 1.00 . A A . 25 MET CA 1 1 19 8215 1 1 25 MET CB C 3.822 2.221 -6.354 1.00 . A A . 25 MET CB 1 1 19 8216 1 1 25 MET CE C 4.071 4.879 -9.287 1.00 . A A . 25 MET CE 1 1 19 8217 1 1 25 MET CG C 3.301 3.481 -7.027 1.00 . A A . 25 MET CG 1 1 19 8218 1 1 25 MET H H 2.591 -0.371 -6.308 1.00 . A A . 25 MET H 1 1 19 8219 1 1 25 MET HA H 3.891 1.340 -8.306 1.00 . A A . 25 MET HA 1 1 19 8220 1 1 25 MET HB2 H 3.183 1.997 -5.513 1.00 . A A . 25 MET HB2 1 1 19 8221 1 1 25 MET HB3 H 4.821 2.417 -5.995 1.00 . A A . 25 MET HB3 1 1 19 8222 1 1 25 MET HE1 H 4.130 3.970 -9.866 1.00 . A A . 25 MET HE1 1 1 19 8223 1 1 25 MET HE2 H 4.701 5.637 -9.736 1.00 . A A . 25 MET HE2 1 1 19 8224 1 1 25 MET HE3 H 3.049 5.227 -9.266 1.00 . A A . 25 MET HE3 1 1 19 8225 1 1 25 MET HG2 H 2.685 3.195 -7.867 1.00 . A A . 25 MET HG2 1 1 19 8226 1 1 25 MET HG3 H 2.703 4.031 -6.315 1.00 . A A . 25 MET HG3 1 1 19 8227 1 1 25 MET N N 2.666 0.195 -7.106 1.00 . A A . 25 MET N 1 1 19 8228 1 1 25 MET O O 5.929 -0.043 -7.882 1.00 . A A . 25 MET O 1 1 19 8229 1 1 25 MET SD S 4.625 4.550 -7.619 1.00 . A A . 25 MET SD 1 1 19 8230 1 1 26 CYS C C 6.121 -2.595 -5.788 1.00 . A A . 26 CYS C 1 1 19 8231 1 1 26 CYS CA C 6.350 -1.139 -5.392 1.00 . A A . 26 CYS CA 1 1 19 8232 1 1 26 CYS CB C 6.609 -1.041 -3.891 1.00 . A A . 26 CYS CB 1 1 19 8233 1 1 26 CYS H H 4.525 -0.129 -5.095 1.00 . A A . 26 CYS H 1 1 19 8234 1 1 26 CYS HA H 7.215 -0.768 -5.922 1.00 . A A . 26 CYS HA 1 1 19 8235 1 1 26 CYS HB2 H 7.227 -1.860 -3.604 1.00 . A A . 26 CYS HB2 1 1 19 8236 1 1 26 CYS HB3 H 7.121 -0.114 -3.680 1.00 . A A . 26 CYS HB3 1 1 19 8237 1 1 26 CYS N N 5.216 -0.320 -5.766 1.00 . A A . 26 CYS N 1 1 19 8238 1 1 26 CYS O O 6.976 -3.211 -6.424 1.00 . A A . 26 CYS O 1 1 19 8239 1 1 26 CYS SG S 5.131 -1.105 -2.853 1.00 . A A . 26 CYS SG 1 1 19 8240 1 1 27 SER C C 4.905 -5.378 -4.441 1.00 . A A . 27 SER C 1 1 19 8241 1 1 27 SER CA C 4.601 -4.534 -5.662 1.00 . A A . 27 SER CA 1 1 19 8242 1 1 27 SER CB C 5.335 -5.088 -6.882 1.00 . A A . 27 SER CB 1 1 19 8243 1 1 27 SER H H 4.348 -2.593 -4.858 1.00 . A A . 27 SER H 1 1 19 8244 1 1 27 SER HA H 3.540 -4.562 -5.848 1.00 . A A . 27 SER HA 1 1 19 8245 1 1 27 SER HB2 H 5.352 -4.337 -7.656 1.00 . A A . 27 SER HB2 1 1 19 8246 1 1 27 SER HB3 H 6.344 -5.344 -6.603 1.00 . A A . 27 SER HB3 1 1 19 8247 1 1 27 SER HG H 4.876 -6.991 -6.808 1.00 . A A . 27 SER HG 1 1 19 8248 1 1 27 SER N N 4.968 -3.141 -5.384 1.00 . A A . 27 SER N 1 1 19 8249 1 1 27 SER O O 5.329 -6.529 -4.541 1.00 . A A . 27 SER O 1 1 19 8250 1 1 27 SER OG O 4.691 -6.247 -7.385 1.00 . A A . 27 SER OG 1 1 19 8251 1 1 28 LEU C C 3.682 -5.440 -1.177 1.00 . A A . 28 LEU C 1 1 19 8252 1 1 28 LEU CA C 4.954 -5.398 -2.015 1.00 . A A . 28 LEU CA 1 1 19 8253 1 1 28 LEU CB C 6.030 -4.603 -1.294 1.00 . A A . 28 LEU CB 1 1 19 8254 1 1 28 LEU CD1 C 8.452 -4.151 -0.851 1.00 . A A . 28 LEU CD1 1 1 19 8255 1 1 28 LEU CD2 C 7.610 -6.504 -0.870 1.00 . A A . 28 LEU CD2 1 1 19 8256 1 1 28 LEU CG C 7.457 -5.118 -1.472 1.00 . A A . 28 LEU CG 1 1 19 8257 1 1 28 LEU H H 4.376 -3.847 -3.287 1.00 . A A . 28 LEU H 1 1 19 8258 1 1 28 LEU HA H 5.304 -6.402 -2.188 1.00 . A A . 28 LEU HA 1 1 19 8259 1 1 28 LEU HB2 H 5.992 -3.594 -1.661 1.00 . A A . 28 LEU HB2 1 1 19 8260 1 1 28 LEU HB3 H 5.793 -4.587 -0.256 1.00 . A A . 28 LEU HB3 1 1 19 8261 1 1 28 LEU HD11 H 7.985 -3.629 -0.031 1.00 . A A . 28 LEU HD11 1 1 19 8262 1 1 28 LEU HD12 H 8.773 -3.438 -1.597 1.00 . A A . 28 LEU HD12 1 1 19 8263 1 1 28 LEU HD13 H 9.309 -4.700 -0.487 1.00 . A A . 28 LEU HD13 1 1 19 8264 1 1 28 LEU HD21 H 7.605 -6.435 0.208 1.00 . A A . 28 LEU HD21 1 1 19 8265 1 1 28 LEU HD22 H 8.556 -6.932 -1.190 1.00 . A A . 28 LEU HD22 1 1 19 8266 1 1 28 LEU HD23 H 6.801 -7.136 -1.198 1.00 . A A . 28 LEU HD23 1 1 19 8267 1 1 28 LEU HG H 7.666 -5.182 -2.529 1.00 . A A . 28 LEU HG 1 1 19 8268 1 1 28 LEU N N 4.699 -4.768 -3.285 1.00 . A A . 28 LEU N 1 1 19 8269 1 1 28 LEU O O 2.689 -4.806 -1.518 1.00 . A A . 28 LEU O 1 1 19 8270 1 1 29 PRO C C 2.408 -5.120 1.774 1.00 . A A . 29 PRO C 1 1 19 8271 1 1 29 PRO CA C 2.555 -6.313 0.834 1.00 . A A . 29 PRO CA 1 1 19 8272 1 1 29 PRO CB C 2.885 -7.578 1.622 1.00 . A A . 29 PRO CB 1 1 19 8273 1 1 29 PRO CD C 4.865 -6.953 0.409 1.00 . A A . 29 PRO CD 1 1 19 8274 1 1 29 PRO CG C 4.375 -7.610 1.677 1.00 . A A . 29 PRO CG 1 1 19 8275 1 1 29 PRO HA H 1.637 -6.455 0.284 1.00 . A A . 29 PRO HA 1 1 19 8276 1 1 29 PRO HB2 H 2.452 -7.513 2.611 1.00 . A A . 29 PRO HB2 1 1 19 8277 1 1 29 PRO HB3 H 2.490 -8.440 1.105 1.00 . A A . 29 PRO HB3 1 1 19 8278 1 1 29 PRO HD2 H 5.695 -6.296 0.619 1.00 . A A . 29 PRO HD2 1 1 19 8279 1 1 29 PRO HD3 H 5.151 -7.697 -0.318 1.00 . A A . 29 PRO HD3 1 1 19 8280 1 1 29 PRO HG2 H 4.721 -7.061 2.539 1.00 . A A . 29 PRO HG2 1 1 19 8281 1 1 29 PRO HG3 H 4.717 -8.634 1.722 1.00 . A A . 29 PRO HG3 1 1 19 8282 1 1 29 PRO N N 3.705 -6.183 -0.063 1.00 . A A . 29 PRO N 1 1 19 8283 1 1 29 PRO O O 3.373 -4.406 2.047 1.00 . A A . 29 PRO O 1 1 19 8284 1 1 30 ARG C C 1.540 -4.067 4.558 1.00 . A A . 30 ARG C 1 1 19 8285 1 1 30 ARG CA C 0.915 -3.818 3.195 1.00 . A A . 30 ARG CA 1 1 19 8286 1 1 30 ARG CB C -0.594 -3.619 3.338 1.00 . A A . 30 ARG CB 1 1 19 8287 1 1 30 ARG CD C -2.464 -1.990 3.738 1.00 . A A . 30 ARG CD 1 1 19 8288 1 1 30 ARG CG C -1.024 -2.164 3.283 1.00 . A A . 30 ARG CG 1 1 19 8289 1 1 30 ARG CZ C -3.905 -2.748 5.589 1.00 . A A . 30 ARG CZ 1 1 19 8290 1 1 30 ARG H H 0.463 -5.524 2.033 1.00 . A A . 30 ARG H 1 1 19 8291 1 1 30 ARG HA H 1.350 -2.930 2.783 1.00 . A A . 30 ARG HA 1 1 19 8292 1 1 30 ARG HB2 H -1.088 -4.151 2.543 1.00 . A A . 30 ARG HB2 1 1 19 8293 1 1 30 ARG HB3 H -0.913 -4.030 4.281 1.00 . A A . 30 ARG HB3 1 1 19 8294 1 1 30 ARG HD2 H -2.688 -0.935 3.786 1.00 . A A . 30 ARG HD2 1 1 19 8295 1 1 30 ARG HD3 H -3.116 -2.463 3.019 1.00 . A A . 30 ARG HD3 1 1 19 8296 1 1 30 ARG HE H -1.913 -2.875 5.563 1.00 . A A . 30 ARG HE 1 1 19 8297 1 1 30 ARG HG2 H -0.381 -1.582 3.927 1.00 . A A . 30 ARG HG2 1 1 19 8298 1 1 30 ARG HG3 H -0.932 -1.811 2.267 1.00 . A A . 30 ARG HG3 1 1 19 8299 1 1 30 ARG HH11 H -4.903 -1.951 4.020 1.00 . A A . 30 ARG HH11 1 1 19 8300 1 1 30 ARG HH12 H -5.894 -2.492 5.334 1.00 . A A . 30 ARG HH12 1 1 19 8301 1 1 30 ARG HH21 H -3.214 -3.586 7.292 1.00 . A A . 30 ARG HH21 1 1 19 8302 1 1 30 ARG HH22 H -4.935 -3.420 7.193 1.00 . A A . 30 ARG HH22 1 1 19 8303 1 1 30 ARG N N 1.191 -4.916 2.277 1.00 . A A . 30 ARG N 1 1 19 8304 1 1 30 ARG NE N -2.698 -2.584 5.053 1.00 . A A . 30 ARG NE 1 1 19 8305 1 1 30 ARG NH1 N -4.990 -2.365 4.926 1.00 . A A . 30 ARG NH1 1 1 19 8306 1 1 30 ARG NH2 N -4.028 -3.297 6.789 1.00 . A A . 30 ARG NH2 1 1 19 8307 1 1 30 ARG O O 1.563 -3.187 5.418 1.00 . A A . 30 ARG O 1 1 19 8308 1 1 31 THR C C 3.808 -6.638 5.760 1.00 . A A . 31 THR C 1 1 19 8309 1 1 31 THR CA C 2.665 -5.655 6.000 1.00 . A A . 31 THR CA 1 1 19 8310 1 1 31 THR CB C 1.618 -6.270 6.932 1.00 . A A . 31 THR CB 1 1 19 8311 1 1 31 THR CG2 C 2.207 -6.930 8.161 1.00 . A A . 31 THR CG2 1 1 19 8312 1 1 31 THR H H 1.984 -5.925 4.020 1.00 . A A . 31 THR H 1 1 19 8313 1 1 31 THR HA H 3.060 -4.760 6.455 1.00 . A A . 31 THR HA 1 1 19 8314 1 1 31 THR HB H 1.065 -7.021 6.383 1.00 . A A . 31 THR HB 1 1 19 8315 1 1 31 THR HG1 H -0.192 -5.621 7.302 1.00 . A A . 31 THR HG1 1 1 19 8316 1 1 31 THR HG21 H 2.912 -7.691 7.858 1.00 . A A . 31 THR HG21 1 1 19 8317 1 1 31 THR HG22 H 1.416 -7.383 8.740 1.00 . A A . 31 THR HG22 1 1 19 8318 1 1 31 THR HG23 H 2.714 -6.189 8.760 1.00 . A A . 31 THR HG23 1 1 19 8319 1 1 31 THR N N 2.041 -5.274 4.745 1.00 . A A . 31 THR N 1 1 19 8320 1 1 31 THR O O 3.806 -7.381 4.778 1.00 . A A . 31 THR O 1 1 19 8321 1 1 31 THR OG1 O 0.703 -5.283 7.374 1.00 . A A . 31 THR OG1 1 1 19 8322 2 2 1 ZN ZN ZN 3.851 0.744 -2.392 1.00 . B A . 32 ZN ZN 1 1 20 8323 1 1 1 GLY C C -17.301 4.157 -4.982 1.00 . A A . 1 GLY C 1 1 20 8324 1 1 1 GLY CA C -17.181 3.874 -6.467 1.00 . A A . 1 GLY CA 1 1 20 8325 1 1 1 GLY H1 H -17.898 4.578 -8.298 1.00 . A A . 1 GLY H1 1 1 20 8326 1 1 1 GLY H2 H -17.895 5.742 -7.071 1.00 . A A . 1 GLY H2 1 1 20 8327 1 1 1 GLY H3 H -19.069 4.526 -7.078 1.00 . A A . 1 GLY H3 1 1 20 8328 1 1 1 GLY HA2 H -17.437 2.840 -6.647 1.00 . A A . 1 GLY HA2 1 1 20 8329 1 1 1 GLY HA3 H -16.158 4.039 -6.772 1.00 . A A . 1 GLY HA3 1 1 20 8330 1 1 1 GLY N N -18.073 4.741 -7.285 1.00 . A A . 1 GLY N 1 1 20 8331 1 1 1 GLY O O -17.246 5.311 -4.556 1.00 . A A . 1 GLY O 1 1 20 8332 1 1 2 SER C C -16.229 3.171 -2.070 1.00 . A A . 2 SER C 1 1 20 8333 1 1 2 SER CA C -17.595 3.241 -2.746 1.00 . A A . 2 SER CA 1 1 20 8334 1 1 2 SER CB C -18.510 2.150 -2.187 1.00 . A A . 2 SER CB 1 1 20 8335 1 1 2 SER H H -17.502 2.207 -4.591 1.00 . A A . 2 SER H 1 1 20 8336 1 1 2 SER HA H -18.034 4.206 -2.545 1.00 . A A . 2 SER HA 1 1 20 8337 1 1 2 SER HB2 H -18.213 1.193 -2.589 1.00 . A A . 2 SER HB2 1 1 20 8338 1 1 2 SER HB3 H -18.427 2.130 -1.111 1.00 . A A . 2 SER HB3 1 1 20 8339 1 1 2 SER HG H -20.069 3.317 -2.399 1.00 . A A . 2 SER HG 1 1 20 8340 1 1 2 SER N N -17.466 3.101 -4.192 1.00 . A A . 2 SER N 1 1 20 8341 1 1 2 SER O O -15.735 4.169 -1.545 1.00 . A A . 2 SER O 1 1 20 8342 1 1 2 SER OG O -19.862 2.390 -2.537 1.00 . A A . 2 SER OG 1 1 20 8343 1 1 3 THR C C -14.372 2.042 0.027 1.00 . A A . 3 THR C 1 1 20 8344 1 1 3 THR CA C -14.316 1.787 -1.476 1.00 . A A . 3 THR CA 1 1 20 8345 1 1 3 THR CB C -13.281 2.708 -2.123 1.00 . A A . 3 THR CB 1 1 20 8346 1 1 3 THR CG2 C -11.853 2.268 -1.879 1.00 . A A . 3 THR CG2 1 1 20 8347 1 1 3 THR H H -16.071 1.231 -2.522 1.00 . A A . 3 THR H 1 1 20 8348 1 1 3 THR HA H -14.026 0.761 -1.644 1.00 . A A . 3 THR HA 1 1 20 8349 1 1 3 THR HB H -13.394 3.702 -1.716 1.00 . A A . 3 THR HB 1 1 20 8350 1 1 3 THR HG1 H -13.362 1.903 -3.907 1.00 . A A . 3 THR HG1 1 1 20 8351 1 1 3 THR HG21 H -11.176 3.024 -2.246 1.00 . A A . 3 THR HG21 1 1 20 8352 1 1 3 THR HG22 H -11.669 1.338 -2.397 1.00 . A A . 3 THR HG22 1 1 20 8353 1 1 3 THR HG23 H -11.696 2.127 -0.820 1.00 . A A . 3 THR HG23 1 1 20 8354 1 1 3 THR N N -15.626 1.987 -2.088 1.00 . A A . 3 THR N 1 1 20 8355 1 1 3 THR O O -14.698 3.144 0.468 1.00 . A A . 3 THR O 1 1 20 8356 1 1 3 THR OG1 O -13.475 2.776 -3.524 1.00 . A A . 3 THR OG1 1 1 20 8357 1 1 4 SER C C -13.094 2.206 2.733 1.00 . A A . 4 SER C 1 1 20 8358 1 1 4 SER CA C -14.067 1.129 2.262 1.00 . A A . 4 SER CA 1 1 20 8359 1 1 4 SER CB C -13.710 -0.214 2.903 1.00 . A A . 4 SER CB 1 1 20 8360 1 1 4 SER H H -13.801 0.162 0.398 1.00 . A A . 4 SER H 1 1 20 8361 1 1 4 SER HA H -15.066 1.407 2.564 1.00 . A A . 4 SER HA 1 1 20 8362 1 1 4 SER HB2 H -12.900 -0.669 2.353 1.00 . A A . 4 SER HB2 1 1 20 8363 1 1 4 SER HB3 H -13.403 -0.052 3.925 1.00 . A A . 4 SER HB3 1 1 20 8364 1 1 4 SER HG H -15.609 -0.620 3.162 1.00 . A A . 4 SER HG 1 1 20 8365 1 1 4 SER N N -14.053 1.016 0.808 1.00 . A A . 4 SER N 1 1 20 8366 1 1 4 SER O O -13.504 3.305 3.106 1.00 . A A . 4 SER O 1 1 20 8367 1 1 4 SER OG O -14.820 -1.095 2.894 1.00 . A A . 4 SER OG 1 1 20 8368 1 1 5 ALA C C -9.419 2.455 2.554 1.00 . A A . 5 ALA C 1 1 20 8369 1 1 5 ALA CA C -10.776 2.824 3.138 1.00 . A A . 5 ALA CA 1 1 20 8370 1 1 5 ALA CB C -10.698 2.873 4.657 1.00 . A A . 5 ALA CB 1 1 20 8371 1 1 5 ALA H H -11.540 0.992 2.406 1.00 . A A . 5 ALA H 1 1 20 8372 1 1 5 ALA HA H -11.055 3.806 2.785 1.00 . A A . 5 ALA HA 1 1 20 8373 1 1 5 ALA HB1 H -10.004 3.644 4.956 1.00 . A A . 5 ALA HB1 1 1 20 8374 1 1 5 ALA HB2 H -10.358 1.918 5.030 1.00 . A A . 5 ALA HB2 1 1 20 8375 1 1 5 ALA HB3 H -11.675 3.091 5.060 1.00 . A A . 5 ALA HB3 1 1 20 8376 1 1 5 ALA N N -11.805 1.883 2.714 1.00 . A A . 5 ALA N 1 1 20 8377 1 1 5 ALA O O -8.892 1.374 2.814 1.00 . A A . 5 ALA O 1 1 20 8378 1 1 6 MET C C -6.444 3.240 2.180 1.00 . A A . 6 MET C 1 1 20 8379 1 1 6 MET CA C -7.556 3.135 1.147 1.00 . A A . 6 MET CA 1 1 20 8380 1 1 6 MET CB C -7.323 4.155 0.035 1.00 . A A . 6 MET CB 1 1 20 8381 1 1 6 MET CE C -9.935 5.937 -0.801 1.00 . A A . 6 MET CE 1 1 20 8382 1 1 6 MET CG C -8.127 3.880 -1.225 1.00 . A A . 6 MET CG 1 1 20 8383 1 1 6 MET H H -9.318 4.208 1.597 1.00 . A A . 6 MET H 1 1 20 8384 1 1 6 MET HA H -7.555 2.143 0.724 1.00 . A A . 6 MET HA 1 1 20 8385 1 1 6 MET HB2 H -7.588 5.131 0.401 1.00 . A A . 6 MET HB2 1 1 20 8386 1 1 6 MET HB3 H -6.278 4.153 -0.222 1.00 . A A . 6 MET HB3 1 1 20 8387 1 1 6 MET HE1 H -10.468 5.083 -0.411 1.00 . A A . 6 MET HE1 1 1 20 8388 1 1 6 MET HE2 H -10.634 6.612 -1.272 1.00 . A A . 6 MET HE2 1 1 20 8389 1 1 6 MET HE3 H -9.430 6.446 0.006 1.00 . A A . 6 MET HE3 1 1 20 8390 1 1 6 MET HG2 H -7.500 3.352 -1.929 1.00 . A A . 6 MET HG2 1 1 20 8391 1 1 6 MET HG3 H -8.974 3.261 -0.967 1.00 . A A . 6 MET HG3 1 1 20 8392 1 1 6 MET N N -8.853 3.363 1.766 1.00 . A A . 6 MET N 1 1 20 8393 1 1 6 MET O O -6.695 3.526 3.351 1.00 . A A . 6 MET O 1 1 20 8394 1 1 6 MET SD S -8.730 5.388 -2.008 1.00 . A A . 6 MET SD 1 1 20 8395 1 1 7 TRP C C -2.885 3.791 1.963 1.00 . A A . 7 TRP C 1 1 20 8396 1 1 7 TRP CA C -4.063 3.098 2.632 1.00 . A A . 7 TRP CA 1 1 20 8397 1 1 7 TRP CB C -3.641 1.712 3.130 1.00 . A A . 7 TRP CB 1 1 20 8398 1 1 7 TRP CD1 C -4.293 -0.035 1.356 1.00 . A A . 7 TRP CD1 1 1 20 8399 1 1 7 TRP CD2 C -2.087 0.317 1.540 1.00 . A A . 7 TRP CD2 1 1 20 8400 1 1 7 TRP CE2 C -2.305 -0.661 0.549 1.00 . A A . 7 TRP CE2 1 1 20 8401 1 1 7 TRP CE3 C -0.774 0.701 1.826 1.00 . A A . 7 TRP CE3 1 1 20 8402 1 1 7 TRP CG C -3.372 0.707 2.045 1.00 . A A . 7 TRP CG 1 1 20 8403 1 1 7 TRP CH2 C 0.015 -0.862 0.150 1.00 . A A . 7 TRP CH2 1 1 20 8404 1 1 7 TRP CZ2 C -1.261 -1.259 -0.150 1.00 . A A . 7 TRP CZ2 1 1 20 8405 1 1 7 TRP CZ3 C 0.263 0.108 1.127 1.00 . A A . 7 TRP CZ3 1 1 20 8406 1 1 7 TRP H H -5.075 2.802 0.794 1.00 . A A . 7 TRP H 1 1 20 8407 1 1 7 TRP HA H -4.362 3.691 3.484 1.00 . A A . 7 TRP HA 1 1 20 8408 1 1 7 TRP HB2 H -2.737 1.813 3.712 1.00 . A A . 7 TRP HB2 1 1 20 8409 1 1 7 TRP HB3 H -4.419 1.321 3.764 1.00 . A A . 7 TRP HB3 1 1 20 8410 1 1 7 TRP HD1 H -5.360 0.028 1.509 1.00 . A A . 7 TRP HD1 1 1 20 8411 1 1 7 TRP HE1 H -4.101 -1.489 -0.160 1.00 . A A . 7 TRP HE1 1 1 20 8412 1 1 7 TRP HE3 H -0.562 1.448 2.576 1.00 . A A . 7 TRP HE3 1 1 20 8413 1 1 7 TRP HH2 H 0.857 -1.298 -0.375 1.00 . A A . 7 TRP HH2 1 1 20 8414 1 1 7 TRP HZ2 H -1.438 -2.013 -0.901 1.00 . A A . 7 TRP HZ2 1 1 20 8415 1 1 7 TRP HZ3 H 1.283 0.392 1.336 1.00 . A A . 7 TRP HZ3 1 1 20 8416 1 1 7 TRP N N -5.213 3.015 1.739 1.00 . A A . 7 TRP N 1 1 20 8417 1 1 7 TRP NE1 N -3.657 -0.860 0.455 1.00 . A A . 7 TRP NE1 1 1 20 8418 1 1 7 TRP O O -2.820 3.897 0.738 1.00 . A A . 7 TRP O 1 1 20 8419 1 1 8 ALA C C 0.471 4.070 2.500 1.00 . A A . 8 ALA C 1 1 20 8420 1 1 8 ALA CA C -0.764 4.940 2.297 1.00 . A A . 8 ALA CA 1 1 20 8421 1 1 8 ALA CB C -0.595 6.278 3.001 1.00 . A A . 8 ALA CB 1 1 20 8422 1 1 8 ALA H H -2.072 4.129 3.752 1.00 . A A . 8 ALA H 1 1 20 8423 1 1 8 ALA HA H -0.895 5.127 1.240 1.00 . A A . 8 ALA HA 1 1 20 8424 1 1 8 ALA HB1 H -0.412 6.111 4.052 1.00 . A A . 8 ALA HB1 1 1 20 8425 1 1 8 ALA HB2 H -1.493 6.864 2.881 1.00 . A A . 8 ALA HB2 1 1 20 8426 1 1 8 ALA HB3 H 0.241 6.808 2.570 1.00 . A A . 8 ALA HB3 1 1 20 8427 1 1 8 ALA N N -1.955 4.256 2.787 1.00 . A A . 8 ALA N 1 1 20 8428 1 1 8 ALA O O 0.832 3.741 3.630 1.00 . A A . 8 ALA O 1 1 20 8429 1 1 9 CYS C C 3.462 3.578 2.104 1.00 . A A . 9 CYS C 1 1 20 8430 1 1 9 CYS CA C 2.294 2.853 1.453 1.00 . A A . 9 CYS CA 1 1 20 8431 1 1 9 CYS CB C 2.680 2.399 0.049 1.00 . A A . 9 CYS CB 1 1 20 8432 1 1 9 CYS H H 0.773 3.986 0.528 1.00 . A A . 9 CYS H 1 1 20 8433 1 1 9 CYS HA H 2.053 1.986 2.046 1.00 . A A . 9 CYS HA 1 1 20 8434 1 1 9 CYS HB2 H 1.787 2.115 -0.491 1.00 . A A . 9 CYS HB2 1 1 20 8435 1 1 9 CYS HB3 H 3.160 3.219 -0.466 1.00 . A A . 9 CYS HB3 1 1 20 8436 1 1 9 CYS N N 1.108 3.694 1.399 1.00 . A A . 9 CYS N 1 1 20 8437 1 1 9 CYS O O 3.466 4.806 2.208 1.00 . A A . 9 CYS O 1 1 20 8438 1 1 9 CYS SG S 3.813 0.989 0.016 1.00 . A A . 9 CYS SG 1 1 20 8439 1 1 10 GLN C C 6.894 3.025 2.372 1.00 . A A . 10 GLN C 1 1 20 8440 1 1 10 GLN CA C 5.636 3.377 3.165 1.00 . A A . 10 GLN CA 1 1 20 8441 1 1 10 GLN CB C 5.767 2.875 4.605 1.00 . A A . 10 GLN CB 1 1 20 8442 1 1 10 GLN CD C 3.937 1.374 5.488 1.00 . A A . 10 GLN CD 1 1 20 8443 1 1 10 GLN CG C 4.443 2.797 5.348 1.00 . A A . 10 GLN CG 1 1 20 8444 1 1 10 GLN H H 4.397 1.840 2.417 1.00 . A A . 10 GLN H 1 1 20 8445 1 1 10 GLN HA H 5.518 4.450 3.174 1.00 . A A . 10 GLN HA 1 1 20 8446 1 1 10 GLN HB2 H 6.206 1.888 4.591 1.00 . A A . 10 GLN HB2 1 1 20 8447 1 1 10 GLN HB3 H 6.422 3.542 5.147 1.00 . A A . 10 GLN HB3 1 1 20 8448 1 1 10 GLN HE21 H 2.951 1.529 3.768 1.00 . A A . 10 GLN HE21 1 1 20 8449 1 1 10 GLN HE22 H 2.814 0.009 4.577 1.00 . A A . 10 GLN HE22 1 1 20 8450 1 1 10 GLN HG2 H 4.574 3.215 6.335 1.00 . A A . 10 GLN HG2 1 1 20 8451 1 1 10 GLN HG3 H 3.708 3.374 4.807 1.00 . A A . 10 GLN HG3 1 1 20 8452 1 1 10 GLN N N 4.457 2.810 2.532 1.00 . A A . 10 GLN N 1 1 20 8453 1 1 10 GLN NE2 N 3.154 0.926 4.513 1.00 . A A . 10 GLN NE2 1 1 20 8454 1 1 10 GLN O O 7.968 2.841 2.943 1.00 . A A . 10 GLN O 1 1 20 8455 1 1 10 GLN OE1 O 4.245 0.686 6.461 1.00 . A A . 10 GLN OE1 1 1 20 8456 1 1 11 HIS C C 7.824 3.521 -1.051 1.00 . A A . 11 HIS C 1 1 20 8457 1 1 11 HIS CA C 7.871 2.624 0.176 1.00 . A A . 11 HIS CA 1 1 20 8458 1 1 11 HIS CB C 7.826 1.154 -0.242 1.00 . A A . 11 HIS CB 1 1 20 8459 1 1 11 HIS CD2 C 9.587 0.395 -1.985 1.00 . A A . 11 HIS CD2 1 1 20 8460 1 1 11 HIS CE1 C 11.196 -0.144 -0.596 1.00 . A A . 11 HIS CE1 1 1 20 8461 1 1 11 HIS CG C 9.140 0.630 -0.729 1.00 . A A . 11 HIS CG 1 1 20 8462 1 1 11 HIS H H 5.869 3.109 0.651 1.00 . A A . 11 HIS H 1 1 20 8463 1 1 11 HIS HA H 8.786 2.815 0.718 1.00 . A A . 11 HIS HA 1 1 20 8464 1 1 11 HIS HB2 H 7.523 0.555 0.604 1.00 . A A . 11 HIS HB2 1 1 20 8465 1 1 11 HIS HB3 H 7.105 1.034 -1.038 1.00 . A A . 11 HIS HB3 1 1 20 8466 1 1 11 HIS HD1 H 10.153 0.338 1.096 1.00 . A A . 11 HIS HD1 1 1 20 8467 1 1 11 HIS HD2 H 9.044 0.554 -2.903 1.00 . A A . 11 HIS HD2 1 1 20 8468 1 1 11 HIS HE1 H 12.139 -0.483 -0.201 1.00 . A A . 11 HIS HE1 1 1 20 8469 1 1 11 HIS HE2 H 11.418 -0.431 -2.612 1.00 . A A . 11 HIS HE2 1 1 20 8470 1 1 11 HIS N N 6.752 2.943 1.052 1.00 . A A . 11 HIS N 1 1 20 8471 1 1 11 HIS ND1 N 10.166 0.282 0.116 1.00 . A A . 11 HIS ND1 1 1 20 8472 1 1 11 HIS NE2 N 10.869 -0.086 -1.873 1.00 . A A . 11 HIS NE2 1 1 20 8473 1 1 11 HIS O O 8.746 4.292 -1.310 1.00 . A A . 11 HIS O 1 1 20 8474 1 1 12 CYS C C 5.941 5.596 -2.542 1.00 . A A . 12 CYS C 1 1 20 8475 1 1 12 CYS CA C 6.517 4.249 -2.957 1.00 . A A . 12 CYS CA 1 1 20 8476 1 1 12 CYS CB C 5.573 3.546 -3.922 1.00 . A A . 12 CYS CB 1 1 20 8477 1 1 12 CYS H H 6.013 2.818 -1.512 1.00 . A A . 12 CYS H 1 1 20 8478 1 1 12 CYS HA H 7.474 4.402 -3.435 1.00 . A A . 12 CYS HA 1 1 20 8479 1 1 12 CYS HB2 H 5.290 4.240 -4.679 1.00 . A A . 12 CYS HB2 1 1 20 8480 1 1 12 CYS HB3 H 6.083 2.709 -4.375 1.00 . A A . 12 CYS HB3 1 1 20 8481 1 1 12 CYS N N 6.721 3.433 -1.782 1.00 . A A . 12 CYS N 1 1 20 8482 1 1 12 CYS O O 6.244 6.627 -3.139 1.00 . A A . 12 CYS O 1 1 20 8483 1 1 12 CYS SG S 4.051 2.926 -3.173 1.00 . A A . 12 CYS SG 1 1 20 8484 1 1 13 THR C C 3.233 7.156 -1.729 1.00 . A A . 13 THR C 1 1 20 8485 1 1 13 THR CA C 4.473 6.751 -0.934 1.00 . A A . 13 THR CA 1 1 20 8486 1 1 13 THR CB C 5.473 7.918 -0.820 1.00 . A A . 13 THR CB 1 1 20 8487 1 1 13 THR CG2 C 5.513 8.846 -2.021 1.00 . A A . 13 THR CG2 1 1 20 8488 1 1 13 THR H H 4.936 4.688 -1.077 1.00 . A A . 13 THR H 1 1 20 8489 1 1 13 THR HA H 4.150 6.488 0.063 1.00 . A A . 13 THR HA 1 1 20 8490 1 1 13 THR HB H 6.462 7.505 -0.690 1.00 . A A . 13 THR HB 1 1 20 8491 1 1 13 THR HG1 H 5.973 9.166 0.602 1.00 . A A . 13 THR HG1 1 1 20 8492 1 1 13 THR HG21 H 6.539 9.026 -2.303 1.00 . A A . 13 THR HG21 1 1 20 8493 1 1 13 THR HG22 H 5.041 9.783 -1.767 1.00 . A A . 13 THR HG22 1 1 20 8494 1 1 13 THR HG23 H 4.987 8.393 -2.850 1.00 . A A . 13 THR HG23 1 1 20 8495 1 1 13 THR N N 5.115 5.558 -1.495 1.00 . A A . 13 THR N 1 1 20 8496 1 1 13 THR O O 2.950 8.341 -1.907 1.00 . A A . 13 THR O 1 1 20 8497 1 1 13 THR OG1 O 5.179 8.712 0.314 1.00 . A A . 13 THR OG1 1 1 20 8498 1 1 14 PHE C C 0.077 5.786 -2.243 1.00 . A A . 14 PHE C 1 1 20 8499 1 1 14 PHE CA C 1.275 6.405 -2.947 1.00 . A A . 14 PHE CA 1 1 20 8500 1 1 14 PHE CB C 1.409 5.828 -4.354 1.00 . A A . 14 PHE CB 1 1 20 8501 1 1 14 PHE CD1 C -0.116 7.397 -5.583 1.00 . A A . 14 PHE CD1 1 1 20 8502 1 1 14 PHE CD2 C -0.538 5.055 -5.734 1.00 . A A . 14 PHE CD2 1 1 20 8503 1 1 14 PHE CE1 C -1.201 7.648 -6.400 1.00 . A A . 14 PHE CE1 1 1 20 8504 1 1 14 PHE CE2 C -1.625 5.300 -6.552 1.00 . A A . 14 PHE CE2 1 1 20 8505 1 1 14 PHE CG C 0.227 6.098 -5.241 1.00 . A A . 14 PHE CG 1 1 20 8506 1 1 14 PHE CZ C -1.957 6.598 -6.885 1.00 . A A . 14 PHE CZ 1 1 20 8507 1 1 14 PHE H H 2.753 5.239 -2.008 1.00 . A A . 14 PHE H 1 1 20 8508 1 1 14 PHE HA H 1.130 7.471 -3.015 1.00 . A A . 14 PHE HA 1 1 20 8509 1 1 14 PHE HB2 H 2.277 6.257 -4.821 1.00 . A A . 14 PHE HB2 1 1 20 8510 1 1 14 PHE HB3 H 1.535 4.758 -4.284 1.00 . A A . 14 PHE HB3 1 1 20 8511 1 1 14 PHE HD1 H 0.475 8.218 -5.205 1.00 . A A . 14 PHE HD1 1 1 20 8512 1 1 14 PHE HD2 H -0.280 4.039 -5.473 1.00 . A A . 14 PHE HD2 1 1 20 8513 1 1 14 PHE HE1 H -1.459 8.664 -6.659 1.00 . A A . 14 PHE HE1 1 1 20 8514 1 1 14 PHE HE2 H -2.214 4.477 -6.929 1.00 . A A . 14 PHE HE2 1 1 20 8515 1 1 14 PHE HZ H -2.806 6.793 -7.524 1.00 . A A . 14 PHE HZ 1 1 20 8516 1 1 14 PHE N N 2.488 6.161 -2.190 1.00 . A A . 14 PHE N 1 1 20 8517 1 1 14 PHE O O 0.228 4.960 -1.343 1.00 . A A . 14 PHE O 1 1 20 8518 1 1 15 MET C C -2.720 4.364 -2.768 1.00 . A A . 15 MET C 1 1 20 8519 1 1 15 MET CA C -2.340 5.663 -2.088 1.00 . A A . 15 MET CA 1 1 20 8520 1 1 15 MET CB C -3.473 6.682 -2.214 1.00 . A A . 15 MET CB 1 1 20 8521 1 1 15 MET CE C -5.740 9.034 -0.388 1.00 . A A . 15 MET CE 1 1 20 8522 1 1 15 MET CG C -4.427 6.680 -1.032 1.00 . A A . 15 MET CG 1 1 20 8523 1 1 15 MET H H -1.156 6.836 -3.392 1.00 . A A . 15 MET H 1 1 20 8524 1 1 15 MET HA H -2.158 5.454 -1.042 1.00 . A A . 15 MET HA 1 1 20 8525 1 1 15 MET HB2 H -3.045 7.670 -2.302 1.00 . A A . 15 MET HB2 1 1 20 8526 1 1 15 MET HB3 H -4.040 6.464 -3.108 1.00 . A A . 15 MET HB3 1 1 20 8527 1 1 15 MET HE1 H -6.562 9.714 -0.564 1.00 . A A . 15 MET HE1 1 1 20 8528 1 1 15 MET HE2 H -4.811 9.514 -0.661 1.00 . A A . 15 MET HE2 1 1 20 8529 1 1 15 MET HE3 H -5.713 8.766 0.657 1.00 . A A . 15 MET HE3 1 1 20 8530 1 1 15 MET HG2 H -4.664 5.657 -0.780 1.00 . A A . 15 MET HG2 1 1 20 8531 1 1 15 MET HG3 H -3.940 7.154 -0.193 1.00 . A A . 15 MET HG3 1 1 20 8532 1 1 15 MET N N -1.109 6.183 -2.668 1.00 . A A . 15 MET N 1 1 20 8533 1 1 15 MET O O -2.365 4.125 -3.921 1.00 . A A . 15 MET O 1 1 20 8534 1 1 15 MET SD S -5.964 7.559 -1.377 1.00 . A A . 15 MET SD 1 1 20 8535 1 1 16 ASN C C -5.211 1.837 -2.131 1.00 . A A . 16 ASN C 1 1 20 8536 1 1 16 ASN CA C -3.792 2.216 -2.551 1.00 . A A . 16 ASN CA 1 1 20 8537 1 1 16 ASN CB C -2.796 1.190 -2.038 1.00 . A A . 16 ASN CB 1 1 20 8538 1 1 16 ASN CG C -2.503 0.104 -3.045 1.00 . A A . 16 ASN CG 1 1 20 8539 1 1 16 ASN H H -3.634 3.741 -1.108 1.00 . A A . 16 ASN H 1 1 20 8540 1 1 16 ASN HA H -3.738 2.253 -3.628 1.00 . A A . 16 ASN HA 1 1 20 8541 1 1 16 ASN HB2 H -1.869 1.691 -1.801 1.00 . A A . 16 ASN HB2 1 1 20 8542 1 1 16 ASN HB3 H -3.190 0.747 -1.146 1.00 . A A . 16 ASN HB3 1 1 20 8543 1 1 16 ASN HD21 H -1.279 1.324 -4.027 1.00 . A A . 16 ASN HD21 1 1 20 8544 1 1 16 ASN HD22 H -1.454 -0.259 -4.693 1.00 . A A . 16 ASN HD22 1 1 20 8545 1 1 16 ASN N N -3.408 3.510 -2.032 1.00 . A A . 16 ASN N 1 1 20 8546 1 1 16 ASN ND2 N -1.660 0.421 -4.020 1.00 . A A . 16 ASN ND2 1 1 20 8547 1 1 16 ASN O O -5.708 2.289 -1.103 1.00 . A A . 16 ASN O 1 1 20 8548 1 1 16 ASN OD1 O -3.020 -1.005 -2.950 1.00 . A A . 16 ASN OD1 1 1 20 8549 1 1 17 GLN C C -7.269 -0.297 -1.385 1.00 . A A . 17 GLN C 1 1 20 8550 1 1 17 GLN CA C -7.220 0.555 -2.654 1.00 . A A . 17 GLN CA 1 1 20 8551 1 1 17 GLN CB C -7.799 -0.236 -3.830 1.00 . A A . 17 GLN CB 1 1 20 8552 1 1 17 GLN CD C -7.050 1.557 -5.453 1.00 . A A . 17 GLN CD 1 1 20 8553 1 1 17 GLN CG C -7.161 0.070 -5.179 1.00 . A A . 17 GLN CG 1 1 20 8554 1 1 17 GLN H H -5.405 0.671 -3.741 1.00 . A A . 17 GLN H 1 1 20 8555 1 1 17 GLN HA H -7.824 1.427 -2.501 1.00 . A A . 17 GLN HA 1 1 20 8556 1 1 17 GLN HB2 H -7.675 -1.279 -3.626 1.00 . A A . 17 GLN HB2 1 1 20 8557 1 1 17 GLN HB3 H -8.853 -0.019 -3.902 1.00 . A A . 17 GLN HB3 1 1 20 8558 1 1 17 GLN HE21 H -8.911 1.838 -4.810 1.00 . A A . 17 GLN HE21 1 1 20 8559 1 1 17 GLN HE22 H -8.078 3.255 -5.340 1.00 . A A . 17 GLN HE22 1 1 20 8560 1 1 17 GLN HG2 H -6.170 -0.360 -5.201 1.00 . A A . 17 GLN HG2 1 1 20 8561 1 1 17 GLN HG3 H -7.762 -0.381 -5.955 1.00 . A A . 17 GLN HG3 1 1 20 8562 1 1 17 GLN N N -5.856 0.998 -2.938 1.00 . A A . 17 GLN N 1 1 20 8563 1 1 17 GLN NE2 N -8.121 2.291 -5.173 1.00 . A A . 17 GLN NE2 1 1 20 8564 1 1 17 GLN O O -6.250 -0.828 -0.943 1.00 . A A . 17 GLN O 1 1 20 8565 1 1 17 GLN OE1 O -6.016 2.041 -5.910 1.00 . A A . 17 GLN OE1 1 1 20 8566 1 1 18 PRO C C -8.530 -2.726 0.220 1.00 . A A . 18 PRO C 1 1 20 8567 1 1 18 PRO CA C -8.648 -1.220 0.448 1.00 . A A . 18 PRO CA 1 1 20 8568 1 1 18 PRO CB C -10.070 -0.864 0.885 1.00 . A A . 18 PRO CB 1 1 20 8569 1 1 18 PRO CD C -9.728 0.172 -1.240 1.00 . A A . 18 PRO CD 1 1 20 8570 1 1 18 PRO CG C -10.768 -0.482 -0.373 1.00 . A A . 18 PRO CG 1 1 20 8571 1 1 18 PRO HA H -7.951 -0.921 1.216 1.00 . A A . 18 PRO HA 1 1 20 8572 1 1 18 PRO HB2 H -10.533 -1.722 1.350 1.00 . A A . 18 PRO HB2 1 1 20 8573 1 1 18 PRO HB3 H -10.042 -0.042 1.584 1.00 . A A . 18 PRO HB3 1 1 20 8574 1 1 18 PRO HD2 H -9.909 -0.055 -2.280 1.00 . A A . 18 PRO HD2 1 1 20 8575 1 1 18 PRO HD3 H -9.722 1.240 -1.082 1.00 . A A . 18 PRO HD3 1 1 20 8576 1 1 18 PRO HG2 H -11.160 -1.364 -0.857 1.00 . A A . 18 PRO HG2 1 1 20 8577 1 1 18 PRO HG3 H -11.565 0.213 -0.154 1.00 . A A . 18 PRO HG3 1 1 20 8578 1 1 18 PRO N N -8.464 -0.435 -0.779 1.00 . A A . 18 PRO N 1 1 20 8579 1 1 18 PRO O O -8.494 -3.504 1.174 1.00 . A A . 18 PRO O 1 1 20 8580 1 1 19 GLY C C -6.986 -4.905 -1.912 1.00 . A A . 19 GLY C 1 1 20 8581 1 1 19 GLY CA C -8.352 -4.549 -1.358 1.00 . A A . 19 GLY CA 1 1 20 8582 1 1 19 GLY H H -8.496 -2.476 -1.768 1.00 . A A . 19 GLY H 1 1 20 8583 1 1 19 GLY HA2 H -8.526 -5.123 -0.460 1.00 . A A . 19 GLY HA2 1 1 20 8584 1 1 19 GLY HA3 H -9.103 -4.807 -2.090 1.00 . A A . 19 GLY HA3 1 1 20 8585 1 1 19 GLY N N -8.468 -3.136 -1.044 1.00 . A A . 19 GLY N 1 1 20 8586 1 1 19 GLY O O -6.630 -6.080 -2.003 1.00 . A A . 19 GLY O 1 1 20 8587 1 1 20 THR C C -3.834 -3.992 -1.744 1.00 . A A . 20 THR C 1 1 20 8588 1 1 20 THR CA C -4.890 -4.076 -2.833 1.00 . A A . 20 THR CA 1 1 20 8589 1 1 20 THR CB C -4.614 -3.021 -3.897 1.00 . A A . 20 THR CB 1 1 20 8590 1 1 20 THR CG2 C -5.126 -3.400 -5.262 1.00 . A A . 20 THR CG2 1 1 20 8591 1 1 20 THR H H -6.567 -2.972 -2.186 1.00 . A A . 20 THR H 1 1 20 8592 1 1 20 THR HA H -4.845 -5.054 -3.290 1.00 . A A . 20 THR HA 1 1 20 8593 1 1 20 THR HB H -3.548 -2.873 -3.971 1.00 . A A . 20 THR HB 1 1 20 8594 1 1 20 THR HG1 H -4.585 -1.078 -3.673 1.00 . A A . 20 THR HG1 1 1 20 8595 1 1 20 THR HG21 H -4.717 -4.358 -5.543 1.00 . A A . 20 THR HG21 1 1 20 8596 1 1 20 THR HG22 H -4.823 -2.651 -5.977 1.00 . A A . 20 THR HG22 1 1 20 8597 1 1 20 THR HG23 H -6.203 -3.460 -5.235 1.00 . A A . 20 THR HG23 1 1 20 8598 1 1 20 THR N N -6.224 -3.884 -2.284 1.00 . A A . 20 THR N 1 1 20 8599 1 1 20 THR O O -2.954 -3.136 -1.792 1.00 . A A . 20 THR O 1 1 20 8600 1 1 20 THR OG1 O -5.216 -1.789 -3.544 1.00 . A A . 20 THR OG1 1 1 20 8601 1 1 21 GLY C C -1.530 -4.745 -0.193 1.00 . A A . 21 GLY C 1 1 20 8602 1 1 21 GLY CA C -2.948 -4.880 0.318 1.00 . A A . 21 GLY CA 1 1 20 8603 1 1 21 GLY H H -4.638 -5.548 -0.773 1.00 . A A . 21 GLY H 1 1 20 8604 1 1 21 GLY HA2 H -3.163 -4.054 0.978 1.00 . A A . 21 GLY HA2 1 1 20 8605 1 1 21 GLY HA3 H -3.034 -5.799 0.868 1.00 . A A . 21 GLY HA3 1 1 20 8606 1 1 21 GLY N N -3.919 -4.884 -0.762 1.00 . A A . 21 GLY N 1 1 20 8607 1 1 21 GLY O O -0.672 -4.171 0.476 1.00 . A A . 21 GLY O 1 1 20 8608 1 1 22 HIS C C 0.299 -3.726 -2.414 1.00 . A A . 22 HIS C 1 1 20 8609 1 1 22 HIS CA C 0.030 -5.170 -1.995 1.00 . A A . 22 HIS CA 1 1 20 8610 1 1 22 HIS CB C 0.149 -6.131 -3.182 1.00 . A A . 22 HIS CB 1 1 20 8611 1 1 22 HIS CD2 C 1.243 -8.480 -3.055 1.00 . A A . 22 HIS CD2 1 1 20 8612 1 1 22 HIS CE1 C -0.267 -9.469 -1.810 1.00 . A A . 22 HIS CE1 1 1 20 8613 1 1 22 HIS CG C 0.281 -7.566 -2.779 1.00 . A A . 22 HIS CG 1 1 20 8614 1 1 22 HIS H H -2.016 -5.689 -1.890 1.00 . A A . 22 HIS H 1 1 20 8615 1 1 22 HIS HA H 0.747 -5.447 -1.239 1.00 . A A . 22 HIS HA 1 1 20 8616 1 1 22 HIS HB2 H -0.731 -6.040 -3.800 1.00 . A A . 22 HIS HB2 1 1 20 8617 1 1 22 HIS HB3 H 1.021 -5.867 -3.765 1.00 . A A . 22 HIS HB3 1 1 20 8618 1 1 22 HIS HD1 H -1.471 -7.823 -1.635 1.00 . A A . 22 HIS HD1 1 1 20 8619 1 1 22 HIS HD2 H 2.132 -8.314 -3.648 1.00 . A A . 22 HIS HD2 1 1 20 8620 1 1 22 HIS HE1 H -0.800 -10.213 -1.238 1.00 . A A . 22 HIS HE1 1 1 20 8621 1 1 22 HIS HE2 H 1.426 -10.463 -2.392 1.00 . A A . 22 HIS HE2 1 1 20 8622 1 1 22 HIS N N -1.289 -5.258 -1.394 1.00 . A A . 22 HIS N 1 1 20 8623 1 1 22 HIS ND1 N -0.651 -8.218 -1.998 1.00 . A A . 22 HIS ND1 1 1 20 8624 1 1 22 HIS NE2 N 0.879 -9.653 -2.440 1.00 . A A . 22 HIS NE2 1 1 20 8625 1 1 22 HIS O O 0.441 -2.859 -1.561 1.00 . A A . 22 HIS O 1 1 20 8626 1 1 23 CYS C C 0.726 -2.057 -5.709 1.00 . A A . 23 CYS C 1 1 20 8627 1 1 23 CYS CA C 0.582 -2.098 -4.194 1.00 . A A . 23 CYS CA 1 1 20 8628 1 1 23 CYS CB C 1.821 -1.490 -3.543 1.00 . A A . 23 CYS CB 1 1 20 8629 1 1 23 CYS H H 0.229 -4.168 -4.364 1.00 . A A . 23 CYS H 1 1 20 8630 1 1 23 CYS HA H -0.277 -1.508 -3.916 1.00 . A A . 23 CYS HA 1 1 20 8631 1 1 23 CYS HB2 H 2.171 -2.142 -2.762 1.00 . A A . 23 CYS HB2 1 1 20 8632 1 1 23 CYS HB3 H 2.592 -1.391 -4.283 1.00 . A A . 23 CYS HB3 1 1 20 8633 1 1 23 CYS N N 0.354 -3.454 -3.716 1.00 . A A . 23 CYS N 1 1 20 8634 1 1 23 CYS O O 1.104 -3.045 -6.339 1.00 . A A . 23 CYS O 1 1 20 8635 1 1 23 CYS SG S 1.536 0.142 -2.821 1.00 . A A . 23 CYS SG 1 1 20 8636 1 1 24 GLU C C 1.736 0.201 -8.037 1.00 . A A . 24 GLU C 1 1 20 8637 1 1 24 GLU CA C 0.546 -0.700 -7.719 1.00 . A A . 24 GLU CA 1 1 20 8638 1 1 24 GLU CB C -0.743 -0.087 -8.274 1.00 . A A . 24 GLU CB 1 1 20 8639 1 1 24 GLU CD C -1.384 -0.890 -10.582 1.00 . A A . 24 GLU CD 1 1 20 8640 1 1 24 GLU CG C -1.577 -1.062 -9.088 1.00 . A A . 24 GLU CG 1 1 20 8641 1 1 24 GLU H H 0.154 -0.143 -5.721 1.00 . A A . 24 GLU H 1 1 20 8642 1 1 24 GLU HA H 0.704 -1.664 -8.176 1.00 . A A . 24 GLU HA 1 1 20 8643 1 1 24 GLU HB2 H -1.344 0.265 -7.449 1.00 . A A . 24 GLU HB2 1 1 20 8644 1 1 24 GLU HB3 H -0.489 0.751 -8.907 1.00 . A A . 24 GLU HB3 1 1 20 8645 1 1 24 GLU HG2 H -1.296 -2.070 -8.819 1.00 . A A . 24 GLU HG2 1 1 20 8646 1 1 24 GLU HG3 H -2.620 -0.906 -8.854 1.00 . A A . 24 GLU HG3 1 1 20 8647 1 1 24 GLU N N 0.437 -0.894 -6.282 1.00 . A A . 24 GLU N 1 1 20 8648 1 1 24 GLU O O 1.779 0.844 -9.085 1.00 . A A . 24 GLU O 1 1 20 8649 1 1 24 GLU OE1 O -0.340 -1.336 -11.101 1.00 . A A . 24 GLU OE1 1 1 20 8650 1 1 24 GLU OE2 O -2.277 -0.308 -11.233 1.00 . A A . 24 GLU OE2 1 1 20 8651 1 1 25 MET C C 5.133 0.225 -6.987 1.00 . A A . 25 MET C 1 1 20 8652 1 1 25 MET CA C 3.894 1.047 -7.297 1.00 . A A . 25 MET CA 1 1 20 8653 1 1 25 MET CB C 3.838 2.282 -6.395 1.00 . A A . 25 MET CB 1 1 20 8654 1 1 25 MET CE C 5.527 3.506 -8.723 1.00 . A A . 25 MET CE 1 1 20 8655 1 1 25 MET CG C 3.290 3.518 -7.087 1.00 . A A . 25 MET CG 1 1 20 8656 1 1 25 MET H H 2.614 -0.304 -6.306 1.00 . A A . 25 MET H 1 1 20 8657 1 1 25 MET HA H 3.932 1.365 -8.329 1.00 . A A . 25 MET HA 1 1 20 8658 1 1 25 MET HB2 H 3.208 2.063 -5.546 1.00 . A A . 25 MET HB2 1 1 20 8659 1 1 25 MET HB3 H 4.835 2.503 -6.045 1.00 . A A . 25 MET HB3 1 1 20 8660 1 1 25 MET HE1 H 6.288 4.059 -9.240 1.00 . A A . 25 MET HE1 1 1 20 8661 1 1 25 MET HE2 H 4.864 3.040 -9.438 1.00 . A A . 25 MET HE2 1 1 20 8662 1 1 25 MET HE3 H 5.993 2.744 -8.115 1.00 . A A . 25 MET HE3 1 1 20 8663 1 1 25 MET HG2 H 2.694 3.207 -7.933 1.00 . A A . 25 MET HG2 1 1 20 8664 1 1 25 MET HG3 H 2.669 4.060 -6.390 1.00 . A A . 25 MET HG3 1 1 20 8665 1 1 25 MET N N 2.702 0.236 -7.121 1.00 . A A . 25 MET N 1 1 20 8666 1 1 25 MET O O 5.995 0.039 -7.845 1.00 . A A . 25 MET O 1 1 20 8667 1 1 25 MET SD S 4.593 4.618 -7.675 1.00 . A A . 25 MET SD 1 1 20 8668 1 1 26 CYS C C 6.141 -2.550 -5.745 1.00 . A A . 26 CYS C 1 1 20 8669 1 1 26 CYS CA C 6.348 -1.088 -5.357 1.00 . A A . 26 CYS CA 1 1 20 8670 1 1 26 CYS CB C 6.572 -0.973 -3.853 1.00 . A A . 26 CYS CB 1 1 20 8671 1 1 26 CYS H H 4.502 -0.107 -5.106 1.00 . A A . 26 CYS H 1 1 20 8672 1 1 26 CYS HA H 7.221 -0.712 -5.870 1.00 . A A . 26 CYS HA 1 1 20 8673 1 1 26 CYS HB2 H 7.226 -1.758 -3.552 1.00 . A A . 26 CYS HB2 1 1 20 8674 1 1 26 CYS HB3 H 7.031 -0.020 -3.634 1.00 . A A . 26 CYS HB3 1 1 20 8675 1 1 26 CYS N N 5.217 -0.279 -5.757 1.00 . A A . 26 CYS N 1 1 20 8676 1 1 26 CYS O O 7.029 -3.172 -6.326 1.00 . A A . 26 CYS O 1 1 20 8677 1 1 26 CYS SG S 5.078 -1.111 -2.848 1.00 . A A . 26 CYS SG 1 1 20 8678 1 1 27 SER C C 4.948 -5.327 -4.451 1.00 . A A . 27 SER C 1 1 20 8679 1 1 27 SER CA C 4.627 -4.493 -5.673 1.00 . A A . 27 SER CA 1 1 20 8680 1 1 27 SER CB C 5.372 -5.031 -6.894 1.00 . A A . 27 SER CB 1 1 20 8681 1 1 27 SER H H 4.319 -2.545 -4.907 1.00 . A A . 27 SER H 1 1 20 8682 1 1 27 SER HA H 3.566 -4.542 -5.858 1.00 . A A . 27 SER HA 1 1 20 8683 1 1 27 SER HB2 H 5.393 -4.272 -7.660 1.00 . A A . 27 SER HB2 1 1 20 8684 1 1 27 SER HB3 H 6.380 -5.287 -6.609 1.00 . A A . 27 SER HB3 1 1 20 8685 1 1 27 SER HG H 3.788 -6.036 -7.460 1.00 . A A . 27 SER HG 1 1 20 8686 1 1 27 SER N N 4.969 -3.094 -5.395 1.00 . A A . 27 SER N 1 1 20 8687 1 1 27 SER O O 5.415 -6.462 -4.547 1.00 . A A . 27 SER O 1 1 20 8688 1 1 27 SER OG O 4.735 -6.185 -7.414 1.00 . A A . 27 SER OG 1 1 20 8689 1 1 28 LEU C C 3.680 -5.476 -1.226 1.00 . A A . 28 LEU C 1 1 20 8690 1 1 28 LEU CA C 4.971 -5.339 -2.023 1.00 . A A . 28 LEU CA 1 1 20 8691 1 1 28 LEU CB C 5.966 -4.469 -1.271 1.00 . A A . 28 LEU CB 1 1 20 8692 1 1 28 LEU CD1 C 8.334 -3.868 -0.713 1.00 . A A . 28 LEU CD1 1 1 20 8693 1 1 28 LEU CD2 C 7.654 -6.272 -0.802 1.00 . A A . 28 LEU CD2 1 1 20 8694 1 1 28 LEU CG C 7.428 -4.887 -1.391 1.00 . A A . 28 LEU CG 1 1 20 8695 1 1 28 LEU H H 4.353 -3.813 -3.308 1.00 . A A . 28 LEU H 1 1 20 8696 1 1 28 LEU HA H 5.399 -6.314 -2.188 1.00 . A A . 28 LEU HA 1 1 20 8697 1 1 28 LEU HB2 H 5.876 -3.468 -1.650 1.00 . A A . 28 LEU HB2 1 1 20 8698 1 1 28 LEU HB3 H 5.691 -4.459 -0.243 1.00 . A A . 28 LEU HB3 1 1 20 8699 1 1 28 LEU HD11 H 7.789 -3.386 0.090 1.00 . A A . 28 LEU HD11 1 1 20 8700 1 1 28 LEU HD12 H 8.639 -3.124 -1.434 1.00 . A A . 28 LEU HD12 1 1 20 8701 1 1 28 LEU HD13 H 9.201 -4.366 -0.315 1.00 . A A . 28 LEU HD13 1 1 20 8702 1 1 28 LEU HD21 H 7.625 -6.215 0.277 1.00 . A A . 28 LEU HD21 1 1 20 8703 1 1 28 LEU HD22 H 8.616 -6.641 -1.112 1.00 . A A . 28 LEU HD22 1 1 20 8704 1 1 28 LEU HD23 H 6.886 -6.943 -1.149 1.00 . A A . 28 LEU HD23 1 1 20 8705 1 1 28 LEU HG H 7.694 -4.921 -2.438 1.00 . A A . 28 LEU HG 1 1 20 8706 1 1 28 LEU N N 4.709 -4.723 -3.299 1.00 . A A . 28 LEU N 1 1 20 8707 1 1 28 LEU O O 2.648 -4.942 -1.618 1.00 . A A . 28 LEU O 1 1 20 8708 1 1 29 PRO C C 2.248 -5.186 1.636 1.00 . A A . 29 PRO C 1 1 20 8709 1 1 29 PRO CA C 2.560 -6.400 0.764 1.00 . A A . 29 PRO CA 1 1 20 8710 1 1 29 PRO CB C 2.980 -7.586 1.629 1.00 . A A . 29 PRO CB 1 1 20 8711 1 1 29 PRO CD C 4.932 -6.847 0.438 1.00 . A A . 29 PRO CD 1 1 20 8712 1 1 29 PRO CG C 4.464 -7.474 1.727 1.00 . A A . 29 PRO CG 1 1 20 8713 1 1 29 PRO HA H 1.686 -6.662 0.188 1.00 . A A . 29 PRO HA 1 1 20 8714 1 1 29 PRO HB2 H 2.512 -7.512 2.600 1.00 . A A . 29 PRO HB2 1 1 20 8715 1 1 29 PRO HB3 H 2.685 -8.507 1.150 1.00 . A A . 29 PRO HB3 1 1 20 8716 1 1 29 PRO HD2 H 5.704 -6.121 0.630 1.00 . A A . 29 PRO HD2 1 1 20 8717 1 1 29 PRO HD3 H 5.288 -7.603 -0.245 1.00 . A A . 29 PRO HD3 1 1 20 8718 1 1 29 PRO HG2 H 4.729 -6.848 2.566 1.00 . A A . 29 PRO HG2 1 1 20 8719 1 1 29 PRO HG3 H 4.897 -8.457 1.844 1.00 . A A . 29 PRO HG3 1 1 20 8720 1 1 29 PRO N N 3.728 -6.191 -0.093 1.00 . A A . 29 PRO N 1 1 20 8721 1 1 29 PRO O O 3.095 -4.315 1.829 1.00 . A A . 29 PRO O 1 1 20 8722 1 1 30 ARG C C 1.293 -4.098 4.376 1.00 . A A . 30 ARG C 1 1 20 8723 1 1 30 ARG CA C 0.603 -4.042 3.024 1.00 . A A . 30 ARG CA 1 1 20 8724 1 1 30 ARG CB C -0.914 -4.074 3.204 1.00 . A A . 30 ARG CB 1 1 20 8725 1 1 30 ARG CD C -3.089 -2.817 3.144 1.00 . A A . 30 ARG CD 1 1 20 8726 1 1 30 ARG CG C -1.575 -2.714 3.054 1.00 . A A . 30 ARG CG 1 1 20 8727 1 1 30 ARG CZ C -4.812 -2.692 4.902 1.00 . A A . 30 ARG CZ 1 1 20 8728 1 1 30 ARG H H 0.400 -5.870 1.985 1.00 . A A . 30 ARG H 1 1 20 8729 1 1 30 ARG HA H 0.883 -3.127 2.542 1.00 . A A . 30 ARG HA 1 1 20 8730 1 1 30 ARG HB2 H -1.334 -4.740 2.469 1.00 . A A . 30 ARG HB2 1 1 20 8731 1 1 30 ARG HB3 H -1.140 -4.453 4.185 1.00 . A A . 30 ARG HB3 1 1 20 8732 1 1 30 ARG HD2 H -3.525 -2.174 2.395 1.00 . A A . 30 ARG HD2 1 1 20 8733 1 1 30 ARG HD3 H -3.379 -3.839 2.954 1.00 . A A . 30 ARG HD3 1 1 20 8734 1 1 30 ARG HE H -2.976 -1.920 5.041 1.00 . A A . 30 ARG HE 1 1 20 8735 1 1 30 ARG HG2 H -1.220 -2.064 3.840 1.00 . A A . 30 ARG HG2 1 1 20 8736 1 1 30 ARG HG3 H -1.306 -2.300 2.095 1.00 . A A . 30 ARG HG3 1 1 20 8737 1 1 30 ARG HH11 H -5.390 -3.668 3.227 1.00 . A A . 30 ARG HH11 1 1 20 8738 1 1 30 ARG HH12 H -6.584 -3.568 4.478 1.00 . A A . 30 ARG HH12 1 1 20 8739 1 1 30 ARG HH21 H -4.545 -1.786 6.688 1.00 . A A . 30 ARG HH21 1 1 20 8740 1 1 30 ARG HH22 H -6.104 -2.499 6.442 1.00 . A A . 30 ARG HH22 1 1 20 8741 1 1 30 ARG N N 1.029 -5.141 2.166 1.00 . A A . 30 ARG N 1 1 20 8742 1 1 30 ARG NE N -3.587 -2.418 4.459 1.00 . A A . 30 ARG NE 1 1 20 8743 1 1 30 ARG NH1 N -5.666 -3.365 4.139 1.00 . A A . 30 ARG NH1 1 1 20 8744 1 1 30 ARG NH2 N -5.184 -2.293 6.110 1.00 . A A . 30 ARG NH2 1 1 20 8745 1 1 30 ARG O O 1.191 -3.171 5.181 1.00 . A A . 30 ARG O 1 1 20 8746 1 1 31 THR C C 3.978 -6.185 5.659 1.00 . A A . 31 THR C 1 1 20 8747 1 1 31 THR CA C 2.695 -5.385 5.874 1.00 . A A . 31 THR CA 1 1 20 8748 1 1 31 THR CB C 1.784 -6.097 6.877 1.00 . A A . 31 THR CB 1 1 20 8749 1 1 31 THR CG2 C 2.501 -6.573 8.124 1.00 . A A . 31 THR CG2 1 1 20 8750 1 1 31 THR H H 2.022 -5.890 3.940 1.00 . A A . 31 THR H 1 1 20 8751 1 1 31 THR HA H 2.951 -4.409 6.260 1.00 . A A . 31 THR HA 1 1 20 8752 1 1 31 THR HB H 1.347 -6.960 6.393 1.00 . A A . 31 THR HB 1 1 20 8753 1 1 31 THR HG1 H 1.092 -4.520 7.810 1.00 . A A . 31 THR HG1 1 1 20 8754 1 1 31 THR HG21 H 2.883 -5.722 8.667 1.00 . A A . 31 THR HG21 1 1 20 8755 1 1 31 THR HG22 H 3.320 -7.219 7.844 1.00 . A A . 31 THR HG22 1 1 20 8756 1 1 31 THR HG23 H 1.811 -7.119 8.749 1.00 . A A . 31 THR HG23 1 1 20 8757 1 1 31 THR N N 1.989 -5.193 4.620 1.00 . A A . 31 THR N 1 1 20 8758 1 1 31 THR O O 4.940 -6.051 6.413 1.00 . A A . 31 THR O 1 1 20 8759 1 1 31 THR OG1 O 0.732 -5.242 7.290 1.00 . A A . 31 THR OG1 1 1 20 8760 2 2 1 ZN ZN ZN 3.817 0.758 -2.396 1.00 . B A . 32 ZN ZN 1 1 stop_ save_
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