NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
545145 | 2lvu | 18586 | cing | 4-filtered-FRED | STAR | entry | full | 385 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2lvu # This FRED archive file contains, for PDB entry <2lvu>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396. save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.PDB_coordinate_file_version . _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_2lvu _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2lvu _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all other bound" _Assembly.Molecular_mass 3176.93 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 $Zinc_finger_and_BTB_domain_containing_protein_17 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_Zinc_finger_and_BTB_domain_containing_protein_17 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Zinc finger and BTB domain containing protein 17" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code KPYVCERCGKRFVQSSQLANHIRHHD _Entity.Number_of_monomers 26 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 LYS . 1 1 2 PRO . 1 1 3 TYR . 1 1 4 VAL . 1 1 5 CYS . 1 1 6 GLU . 1 1 7 ARG . 1 1 8 CYS . 1 1 9 GLY . 1 1 10 LYS . 1 1 11 ARG . 1 1 12 PHE . 1 1 13 VAL . 1 1 14 GLN . 1 1 15 SER . 1 1 16 SER . 1 1 17 GLN . 1 1 18 LEU . 1 1 19 ALA . 1 1 20 ASN . 1 1 21 HIS . 1 1 22 ILE . 1 1 23 ARG . 1 1 24 HIS . 1 1 25 HIS . 1 1 26 ASP . 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 LYS 1 1 1 1 PRO 2 2 1 1 TYR 3 3 1 1 VAL 4 4 1 1 CYS 5 5 1 1 GLU 6 6 1 1 ARG 7 7 1 1 CYS 8 8 1 1 GLY 9 9 1 1 LYS 10 10 1 1 ARG 11 11 1 1 PHE 12 12 1 1 VAL 13 13 1 1 GLN 14 14 1 1 SER 15 15 1 1 SER 16 16 1 1 GLN 17 17 1 1 LEU 18 18 1 1 ALA 19 19 1 1 ASN 20 20 1 1 HIS 21 21 1 1 ILE 22 22 1 1 ARG 23 23 1 1 HIS 24 24 1 1 HIS 25 25 1 1 ASP 26 26 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 1 310 1 . . . 1 1 311 1 . . . 1 1 312 1 . . . 1 1 313 1 . . . 1 1 314 1 . . . 1 1 315 1 . . . 1 1 316 1 . . . 1 1 317 1 . . . 1 1 318 1 . . . 1 1 319 1 . . . 1 1 320 1 . . . 1 1 321 1 . . . 1 1 322 1 . . . 1 1 323 1 . . . 1 1 324 1 . . . 1 1 325 1 . . . 1 1 326 1 . . . 1 1 327 1 . . . 1 1 328 1 . . . 1 1 329 1 . . . 1 1 330 1 . . . 1 1 331 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 2 PRO HA . 59 . HA 1 1 1 1 2 1 1 2 PRO HB3 . 59 . HB1 1 1 2 1 1 1 1 2 PRO HA . 59 . HA 1 1 2 1 2 1 1 2 PRO HG2 . 59 . HG2 1 1 3 1 1 1 1 2 PRO HA . 59 . HA 1 1 3 1 2 1 1 3 TYR H . 60 . HN 1 1 4 1 1 1 1 2 PRO HA . 59 . HA 1 1 4 1 2 1 1 3 TYR QD . 60 . HD1 1 1 5 1 1 1 1 2 PRO HB2 . 59 . HB2 1 1 5 1 2 1 1 3 TYR H . 60 . HN 1 1 6 1 1 1 1 2 PRO HB2 . 59 . HB2 1 1 6 1 2 1 1 3 TYR QD . 60 . HD1 1 1 7 1 1 1 1 2 PRO HB3 . 59 . HB1 1 1 7 1 2 1 1 3 TYR H . 60 . HN 1 1 8 1 1 1 1 2 PRO HB3 . 59 . HB1 1 1 8 1 2 1 1 3 TYR QD . 60 . HD1 1 1 9 1 1 1 1 2 PRO HD2 . 59 . HD1 1 1 9 1 2 1 1 3 TYR H . 60 . HN 1 1 10 1 1 1 1 2 PRO HD2 . 59 . HD1 1 1 10 1 2 1 1 3 TYR QB . 60 . HB2 1 1 11 1 1 1 1 2 PRO HD2 . 59 . HD1 1 1 11 1 2 1 1 3 TYR QD . 60 . HD1 1 1 12 1 1 1 1 2 PRO HD3 . 59 . HD2 1 1 12 1 2 1 1 2 PRO HG3 . 59 . HG1 1 1 13 1 1 1 1 2 PRO HD3 . 59 . HD2 1 1 13 1 2 1 1 3 TYR H . 60 . HN 1 1 14 1 1 1 1 2 PRO HD3 . 59 . HD2 1 1 14 1 2 1 1 3 TYR QD . 60 . HD1 1 1 15 1 1 1 1 3 TYR H . 60 . HN 1 1 15 1 2 1 1 3 TYR QB . 60 . HB2 1 1 16 1 1 1 1 3 TYR H . 60 . HN 1 1 16 1 2 1 1 3 TYR QD . 60 . HD1 1 1 17 1 1 1 1 3 TYR HA . 60 . HA 1 1 17 1 2 1 1 4 VAL H . 61 . HN 1 1 18 1 1 1 1 3 TYR QB . 60 . HB2 1 1 18 1 2 1 1 3 TYR QD . 60 . HD1 1 1 19 1 1 1 1 3 TYR QB . 60 . HB2 1 1 19 1 2 1 1 4 VAL H . 61 . HN 1 1 20 1 1 1 1 3 TYR QB . 60 . HB2 1 1 20 1 2 1 1 12 PHE HB2 . 69 . HB2 1 1 21 1 1 1 1 3 TYR QB . 60 . HB2 1 1 21 1 2 1 1 12 PHE HB3 . 69 . HB1 1 1 22 1 1 1 1 3 TYR QB . 60 . HB2 1 1 22 1 2 1 1 18 LEU HB2 . 75 . HB2 1 1 23 1 1 1 1 3 TYR QB . 60 . HB2 1 1 23 1 2 1 1 18 LEU HB3 . 75 . HB1 1 1 24 1 1 1 1 3 TYR QB . 60 . HB2 1 1 24 1 2 1 1 18 LEU QD . 75 . HD2# 1 1 25 1 1 1 1 3 TYR QD . 60 . HD1 1 1 25 1 2 1 1 4 VAL H . 61 . HN 1 1 26 1 1 1 1 3 TYR QD . 60 . HD1 1 1 26 1 2 1 1 18 LEU QD . 75 . HD2# 1 1 27 1 1 1 1 3 TYR QD . 60 . HD1 1 1 27 1 2 1 1 18 LEU QD . 75 . HD1# 1 1 27 1 2 1 1 22 ILE MD . 79 . HD1# 1 1 28 1 1 1 1 4 VAL H . 61 . HN 1 1 28 1 2 1 1 4 VAL HB . 61 . HB 1 1 29 1 1 1 1 4 VAL H . 61 . HN 1 1 29 1 2 1 1 4 VAL QG . 61 . HG2# 1 1 30 1 1 1 1 4 VAL H . 61 . HN 1 1 30 1 2 1 1 5 CYS H . 62 . HN 1 1 31 1 1 1 1 4 VAL H . 61 . HN 1 1 31 1 2 1 1 18 LEU QD . 75 . HD1# 1 1 32 1 1 1 1 4 VAL HA . 61 . HA 1 1 32 1 2 1 1 5 CYS H . 62 . HN 1 1 33 1 1 1 1 4 VAL HB . 61 . HB 1 1 33 1 2 1 1 5 CYS H . 62 . HN 1 1 34 1 1 1 1 4 VAL HB . 61 . HB 1 1 34 1 2 1 1 11 ARG HA . 68 . HA 1 1 35 1 1 1 1 4 VAL QG . 61 . HG2# 1 1 35 1 2 1 1 5 CYS H . 62 . HN 1 1 36 1 1 1 1 4 VAL QG . 61 . HG1# 1 1 36 1 2 1 1 6 GLU HA . 63 . HA 1 1 37 1 1 1 1 4 VAL QG . 61 . HG1# 1 1 37 1 2 1 1 9 GLY H . 66 . HN 1 1 38 1 1 1 1 4 VAL QG . 61 . HG1# 1 1 38 1 2 1 1 9 GLY HA2 . 66 . HA2 1 1 39 1 1 1 1 4 VAL QG . 61 . HG1# 1 1 39 1 2 1 1 9 GLY HA3 . 66 . HA1 1 1 40 1 1 1 1 4 VAL QG . 61 . HG1# 1 1 40 1 2 1 1 10 LYS H . 67 . HN 1 1 41 1 1 1 1 4 VAL QG . 61 . HG1# 1 1 41 1 2 1 1 11 ARG H . 68 . HN 1 1 42 1 1 1 1 4 VAL QG . 61 . HG1# 1 1 42 1 2 1 1 11 ARG HA . 68 . HA 1 1 43 1 1 1 1 4 VAL QG . 61 . HG1# 1 1 43 1 2 1 1 11 ARG HB2 . 68 . HB1 1 1 44 1 1 1 1 4 VAL QG . 61 . HG1# 1 1 44 1 2 1 1 11 ARG HB3 . 68 . HB2 1 1 45 1 1 1 1 4 VAL QG . 61 . HG1# 1 1 45 1 2 1 1 11 ARG QG . 68 . HG2 1 1 46 1 1 1 1 4 VAL QG . 61 . HG1# 1 1 46 1 2 1 1 12 PHE H . 69 . HN 1 1 47 1 1 1 1 5 CYS H . 62 . HN 1 1 47 1 2 1 1 5 CYS HA . 62 . HA 1 1 48 1 1 1 1 5 CYS H . 62 . HN 1 1 48 1 2 1 1 5 CYS HB2 . 62 . HB2 1 1 49 1 1 1 1 5 CYS H . 62 . HN 1 1 49 1 2 1 1 5 CYS HB3 . 62 . HB1 1 1 50 1 1 1 1 5 CYS HA . 62 . HA 1 1 50 1 2 1 1 6 GLU H . 63 . HN 1 1 51 1 1 1 1 5 CYS HB2 . 62 . HB2 1 1 51 1 2 1 1 8 CYS H . 65 . HN 1 1 52 1 1 1 1 5 CYS HB2 . 62 . HB2 1 1 52 1 2 1 1 10 LYS H . 67 . HN 1 1 53 1 1 1 1 5 CYS HB2 . 62 . HB2 1 1 53 1 2 1 1 18 LEU QD . 75 . HD1# 1 1 54 1 1 1 1 5 CYS HB2 . 62 . HB2 1 1 54 1 2 1 1 21 HIS HD2 . 78 . HD2 1 1 55 1 1 1 1 5 CYS HB2 . 62 . HB2 1 1 55 1 2 1 1 22 ILE HA . 79 . HA 1 1 56 1 1 1 1 5 CYS HB2 . 62 . HB2 1 1 56 1 2 1 1 22 ILE MD . 79 . HD1# 1 1 57 1 1 1 1 5 CYS HB3 . 62 . HB1 1 1 57 1 2 1 1 7 ARG H . 64 . HN 1 1 58 1 1 1 1 5 CYS HB3 . 62 . HB1 1 1 58 1 2 1 1 8 CYS H . 65 . HN 1 1 59 1 1 1 1 5 CYS HB3 . 62 . HB1 1 1 59 1 2 1 1 9 GLY H . 66 . HN 1 1 60 1 1 1 1 5 CYS HB3 . 62 . HB1 1 1 60 1 2 1 1 10 LYS H . 67 . HN 1 1 61 1 1 1 1 5 CYS HB3 . 62 . HB1 1 1 61 1 2 1 1 18 LEU QD . 75 . HD1# 1 1 62 1 1 1 1 5 CYS HB3 . 62 . HB1 1 1 62 1 2 1 1 21 HIS HD2 . 78 . HD2 1 1 63 1 1 1 1 5 CYS HB3 . 62 . HB1 1 1 63 1 2 1 1 22 ILE MD . 79 . HD1# 1 1 64 1 1 1 1 6 GLU H . 63 . HN 1 1 64 1 2 1 1 6 GLU HB2 . 63 . HB2 1 1 65 1 1 1 1 6 GLU H . 63 . HN 1 1 65 1 2 1 1 6 GLU HB3 . 63 . HB1 1 1 66 1 1 1 1 6 GLU H . 63 . HN 1 1 66 1 2 1 1 6 GLU QG . 63 . HG2 1 1 67 1 1 1 1 6 GLU H . 63 . HN 1 1 67 1 2 1 1 7 ARG H . 64 . HN 1 1 68 1 1 1 1 6 GLU H . 63 . HN 1 1 68 1 2 1 1 18 LEU QD . 75 . HD1# 1 1 69 1 1 1 1 6 GLU H . 63 . HN 1 1 69 1 2 1 1 22 ILE MD . 79 . HD1# 1 1 70 1 1 1 1 6 GLU HA . 63 . HA 1 1 70 1 2 1 1 6 GLU HG2 . 63 . HG2 1 1 71 1 1 1 1 6 GLU HA . 63 . HA 1 1 71 1 2 1 1 6 GLU QG . 63 . HG2 1 1 72 1 1 1 1 6 GLU HA . 63 . HA 1 1 72 1 2 1 1 7 ARG H . 64 . HN 1 1 73 1 1 1 1 6 GLU HB2 . 63 . HB2 1 1 73 1 2 1 1 7 ARG H . 64 . HN 1 1 74 1 1 1 1 6 GLU HB3 . 63 . HB1 1 1 74 1 2 1 1 7 ARG H . 64 . HN 1 1 75 1 1 1 1 6 GLU QG . 63 . HG2 1 1 75 1 2 1 1 7 ARG H . 64 . HN 1 1 76 1 1 1 1 7 ARG H . 64 . HN 1 1 76 1 2 1 1 7 ARG HA . 64 . HA 1 1 77 1 1 1 1 7 ARG H . 64 . HN 1 1 77 1 2 1 1 7 ARG HB2 . 64 . HB1 1 1 78 1 1 1 1 7 ARG H . 64 . HN 1 1 78 1 2 1 1 7 ARG HB3 . 64 . HB2 1 1 79 1 1 1 1 7 ARG H . 64 . HN 1 1 79 1 2 1 1 7 ARG HG2 . 64 . HG2 1 1 80 1 1 1 1 7 ARG H . 64 . HN 1 1 80 1 2 1 1 7 ARG HG3 . 64 . HG1 1 1 81 1 1 1 1 7 ARG H . 64 . HN 1 1 81 1 2 1 1 8 CYS H . 65 . HN 1 1 82 1 1 1 1 7 ARG H . 64 . HN 1 1 82 1 2 1 1 8 CYS HA . 65 . HA 1 1 83 1 1 1 1 7 ARG H . 64 . HN 1 1 83 1 2 1 1 9 GLY H . 66 . HN 1 1 84 1 1 1 1 7 ARG H . 64 . HN 1 1 84 1 2 1 1 22 ILE MD . 79 . HD1# 1 1 85 1 1 1 1 7 ARG HA . 64 . HA 1 1 85 1 2 1 1 7 ARG HD2 . 64 . HD2 1 1 86 1 1 1 1 7 ARG HA . 64 . HA 1 1 86 1 2 1 1 7 ARG HD3 . 64 . HD1 1 1 87 1 1 1 1 7 ARG HA . 64 . HA 1 1 87 1 2 1 1 7 ARG HG2 . 64 . HG2 1 1 88 1 1 1 1 7 ARG HA . 64 . HA 1 1 88 1 2 1 1 7 ARG HG3 . 64 . HG1 1 1 89 1 1 1 1 7 ARG HA . 64 . HA 1 1 89 1 2 1 1 8 CYS H . 65 . HN 1 1 90 1 1 1 1 7 ARG HB2 . 64 . HB1 1 1 90 1 2 1 1 7 ARG HD2 . 64 . HD2 1 1 91 1 1 1 1 7 ARG HB2 . 64 . HB1 1 1 91 1 2 1 1 7 ARG HD3 . 64 . HD1 1 1 92 1 1 1 1 7 ARG HB2 . 64 . HB1 1 1 92 1 2 1 1 8 CYS H . 65 . HN 1 1 93 1 1 1 1 7 ARG HB3 . 64 . HB2 1 1 93 1 2 1 1 7 ARG HD2 . 64 . HD2 1 1 94 1 1 1 1 7 ARG HB3 . 64 . HB2 1 1 94 1 2 1 1 7 ARG HD3 . 64 . HD1 1 1 95 1 1 1 1 7 ARG HB3 . 64 . HB2 1 1 95 1 2 1 1 8 CYS H . 65 . HN 1 1 96 1 1 1 1 7 ARG HG2 . 64 . HG2 1 1 96 1 2 1 1 8 CYS H . 65 . HN 1 1 97 1 1 1 1 7 ARG HG3 . 64 . HG1 1 1 97 1 2 1 1 8 CYS H . 65 . HN 1 1 98 1 1 1 1 8 CYS H . 65 . HN 1 1 98 1 2 1 1 8 CYS HB2 . 65 . HB2 1 1 99 1 1 1 1 8 CYS H . 65 . HN 1 1 99 1 2 1 1 8 CYS HB3 . 65 . HB1 1 1 100 1 1 1 1 8 CYS H . 65 . HN 1 1 100 1 2 1 1 9 GLY H . 66 . HN 1 1 101 1 1 1 1 8 CYS H . 65 . HN 1 1 101 1 2 1 1 10 LYS H . 67 . HN 1 1 102 1 1 1 1 8 CYS HA . 65 . HA 1 1 102 1 2 1 1 8 CYS HB3 . 65 . HB1 1 1 103 1 1 1 1 8 CYS HA . 65 . HA 1 1 103 1 2 1 1 9 GLY H . 66 . HN 1 1 104 1 1 1 1 8 CYS HB2 . 65 . HB2 1 1 104 1 2 1 1 9 GLY H . 66 . HN 1 1 105 1 1 1 1 8 CYS HB2 . 65 . HB2 1 1 105 1 2 1 1 25 HIS HE1 . 82 . HE1 1 1 106 1 1 1 1 8 CYS HB3 . 65 . HB1 1 1 106 1 2 1 1 25 HIS HE1 . 82 . HE1 1 1 107 1 1 1 1 9 GLY H . 66 . HN 1 1 107 1 2 1 1 9 GLY HA2 . 66 . HA2 1 1 108 1 1 1 1 9 GLY H . 66 . HN 1 1 108 1 2 1 1 9 GLY HA3 . 66 . HA1 1 1 109 1 1 1 1 9 GLY H . 66 . HN 1 1 109 1 2 1 1 10 LYS H . 67 . HN 1 1 110 1 1 1 1 9 GLY HA2 . 66 . HA2 1 1 110 1 2 1 1 10 LYS H . 67 . HN 1 1 111 1 1 1 1 9 GLY HA3 . 66 . HA1 1 1 111 1 2 1 1 10 LYS H . 67 . HN 1 1 112 1 1 1 1 10 LYS H . 67 . HN 1 1 112 1 2 1 1 10 LYS HA . 67 . HA 1 1 113 1 1 1 1 10 LYS H . 67 . HN 1 1 113 1 2 1 1 10 LYS HB2 . 67 . HB2 1 1 114 1 1 1 1 10 LYS H . 67 . HN 1 1 114 1 2 1 1 10 LYS HB3 . 67 . HB1 1 1 115 1 1 1 1 10 LYS H . 67 . HN 1 1 115 1 2 1 1 10 LYS QD . 67 . HD2 1 1 116 1 1 1 1 10 LYS H . 67 . HN 1 1 116 1 2 1 1 10 LYS HG2 . 67 . HG2 1 1 117 1 1 1 1 10 LYS H . 67 . HN 1 1 117 1 2 1 1 10 LYS HG3 . 67 . HG1 1 1 118 1 1 1 1 10 LYS H . 67 . HN 1 1 118 1 2 1 1 11 ARG H . 68 . HN 1 1 119 1 1 1 1 10 LYS HA . 67 . HA 1 1 119 1 2 1 1 10 LYS HG2 . 67 . HG2 1 1 120 1 1 1 1 10 LYS HA . 67 . HA 1 1 120 1 2 1 1 10 LYS HG3 . 67 . HG1 1 1 121 1 1 1 1 10 LYS HA . 67 . HA 1 1 121 1 2 1 1 11 ARG H . 68 . HN 1 1 122 1 1 1 1 10 LYS HA . 67 . HA 1 1 122 1 2 1 1 11 ARG HB2 . 68 . HB1 1 1 123 1 1 1 1 10 LYS HE2 . 67 . HE2 1 1 123 1 2 1 1 10 LYS HG2 . 67 . HG2 1 1 124 1 1 1 1 10 LYS HE2 . 67 . HE2 1 1 124 1 2 1 1 10 LYS HG3 . 67 . HG1 1 1 125 1 1 1 1 10 LYS HE3 . 67 . HE1 1 1 125 1 2 1 1 10 LYS HG3 . 67 . HG1 1 1 126 1 1 1 1 10 LYS HG2 . 67 . HG2 1 1 126 1 2 1 1 11 ARG H . 68 . HN 1 1 127 1 1 1 1 10 LYS HG3 . 67 . HG1 1 1 127 1 2 1 1 11 ARG H . 68 . HN 1 1 128 1 1 1 1 11 ARG H . 68 . HN 1 1 128 1 2 1 1 11 ARG HB2 . 68 . HB1 1 1 129 1 1 1 1 11 ARG H . 68 . HN 1 1 129 1 2 1 1 11 ARG HB3 . 68 . HB2 1 1 130 1 1 1 1 11 ARG H . 68 . HN 1 1 130 1 2 1 1 11 ARG HD2 . 68 . HD2 1 1 131 1 1 1 1 11 ARG H . 68 . HN 1 1 131 1 2 1 1 11 ARG HD3 . 68 . HD1 1 1 132 1 1 1 1 11 ARG H . 68 . HN 1 1 132 1 2 1 1 11 ARG QG . 68 . HG1 1 1 133 1 1 1 1 11 ARG H . 68 . HN 1 1 133 1 2 1 1 12 PHE H . 69 . HN 1 1 134 1 1 1 1 11 ARG HA . 68 . HA 1 1 134 1 2 1 1 11 ARG HB2 . 68 . HB1 1 1 135 1 1 1 1 11 ARG HA . 68 . HA 1 1 135 1 2 1 1 11 ARG HD3 . 68 . HD1 1 1 136 1 1 1 1 11 ARG HA . 68 . HA 1 1 136 1 2 1 1 11 ARG QG . 68 . HG2 1 1 137 1 1 1 1 11 ARG HA . 68 . HA 1 1 137 1 2 1 1 12 PHE H . 69 . HN 1 1 138 1 1 1 1 11 ARG HA . 68 . HA 1 1 138 1 2 1 1 12 PHE QD . 69 . HD1 1 1 139 1 1 1 1 11 ARG HB2 . 68 . HB1 1 1 139 1 2 1 1 11 ARG HD3 . 68 . HD1 1 1 140 1 1 1 1 11 ARG HB2 . 68 . HB1 1 1 140 1 2 1 1 11 ARG QG . 68 . HG2 1 1 141 1 1 1 1 11 ARG HB2 . 68 . HB1 1 1 141 1 2 1 1 12 PHE H . 69 . HN 1 1 142 1 1 1 1 11 ARG HB3 . 68 . HB2 1 1 142 1 2 1 1 11 ARG HD3 . 68 . HD1 1 1 143 1 1 1 1 11 ARG HB3 . 68 . HB2 1 1 143 1 2 1 1 11 ARG QG . 68 . HG2 1 1 144 1 1 1 1 11 ARG HB3 . 68 . HB2 1 1 144 1 2 1 1 12 PHE H . 69 . HN 1 1 145 1 1 1 1 11 ARG QG . 68 . HG2 1 1 145 1 2 1 1 12 PHE H . 69 . HN 1 1 146 1 1 1 1 12 PHE H . 69 . HN 1 1 146 1 2 1 1 12 PHE HB2 . 69 . HB2 1 1 147 1 1 1 1 12 PHE H . 69 . HN 1 1 147 1 2 1 1 12 PHE QD . 69 . HD1 1 1 148 1 1 1 1 12 PHE H . 69 . HN 1 1 148 1 2 1 1 13 VAL H . 70 . HN 1 1 149 1 1 1 1 12 PHE H . 69 . HN 1 1 149 1 2 1 1 18 LEU HB2 . 75 . HB2 1 1 150 1 1 1 1 12 PHE HA . 69 . HA 1 1 150 1 2 1 1 13 VAL H . 70 . HN 1 1 151 1 1 1 1 12 PHE HA . 69 . HA 1 1 151 1 2 1 1 14 GLN H . 71 . HN 1 1 152 1 1 1 1 12 PHE HB2 . 69 . HB2 1 1 152 1 2 1 1 13 VAL H . 70 . HN 1 1 153 1 1 1 1 12 PHE HB2 . 69 . HB2 1 1 153 1 2 1 1 14 GLN H . 71 . HN 1 1 154 1 1 1 1 12 PHE HB2 . 69 . HB2 1 1 154 1 2 1 1 17 GLN HB3 . 74 . HB1 1 1 155 1 1 1 1 12 PHE HB2 . 69 . HB2 1 1 155 1 2 1 1 18 LEU H . 75 . HN 1 1 156 1 1 1 1 12 PHE HB2 . 69 . HB2 1 1 156 1 2 1 1 18 LEU HB2 . 75 . HB2 1 1 157 1 1 1 1 12 PHE HB2 . 69 . HB2 1 1 157 1 2 1 1 18 LEU HB3 . 75 . HB1 1 1 158 1 1 1 1 12 PHE HB2 . 69 . HB2 1 1 158 1 2 1 1 18 LEU QD . 75 . HD2# 1 1 159 1 1 1 1 12 PHE HB3 . 69 . HB1 1 1 159 1 2 1 1 13 VAL H . 70 . HN 1 1 160 1 1 1 1 12 PHE HB3 . 69 . HB1 1 1 160 1 2 1 1 14 GLN H . 71 . HN 1 1 161 1 1 1 1 12 PHE HB3 . 69 . HB1 1 1 161 1 2 1 1 17 GLN HB2 . 74 . HB2 1 1 162 1 1 1 1 12 PHE HB3 . 69 . HB1 1 1 162 1 2 1 1 17 GLN HB3 . 74 . HB1 1 1 163 1 1 1 1 12 PHE HB3 . 69 . HB1 1 1 163 1 2 1 1 17 GLN QG . 74 . HG2 1 1 164 1 1 1 1 12 PHE HB3 . 69 . HB1 1 1 164 1 2 1 1 18 LEU H . 75 . HN 1 1 165 1 1 1 1 12 PHE HB3 . 69 . HB1 1 1 165 1 2 1 1 18 LEU HB2 . 75 . HB2 1 1 166 1 1 1 1 12 PHE HB3 . 69 . HB1 1 1 166 1 2 1 1 18 LEU QD . 75 . HD2# 1 1 167 1 1 1 1 12 PHE QD . 69 . HD1 1 1 167 1 2 1 1 13 VAL H . 70 . HN 1 1 168 1 1 1 1 12 PHE QD . 69 . HD1 1 1 168 1 2 1 1 14 GLN H . 71 . HN 1 1 169 1 1 1 1 12 PHE QD . 69 . HD1 1 1 169 1 2 1 1 17 GLN HB2 . 74 . HB2 1 1 170 1 1 1 1 12 PHE QD . 69 . HD1 1 1 170 1 2 1 1 17 GLN HB3 . 74 . HB1 1 1 171 1 1 1 1 12 PHE QD . 69 . HD1 1 1 171 1 2 1 1 17 GLN QG . 74 . HG2 1 1 172 1 1 1 1 12 PHE QD . 69 . HD1 1 1 172 1 2 1 1 18 LEU HA . 75 . HA 1 1 173 1 1 1 1 12 PHE QD . 69 . HD1 1 1 173 1 2 1 1 18 LEU HB2 . 75 . HB2 1 1 174 1 1 1 1 12 PHE QD . 69 . HD1 1 1 174 1 2 1 1 18 LEU QD . 75 . HD1# 1 1 175 1 1 1 1 13 VAL H . 70 . HN 1 1 175 1 2 1 1 13 VAL HB . 70 . HB 1 1 176 1 1 1 1 13 VAL H . 70 . HN 1 1 176 1 2 1 1 13 VAL MG1 . 70 . HG1# 1 1 177 1 1 1 1 13 VAL H . 70 . HN 1 1 177 1 2 1 1 13 VAL MG2 . 70 . HG2# 1 1 178 1 1 1 1 13 VAL H . 70 . HN 1 1 178 1 2 1 1 14 GLN H . 71 . HN 1 1 179 1 1 1 1 13 VAL H . 70 . HN 1 1 179 1 2 1 1 14 GLN HB2 . 71 . HB1 1 1 180 1 1 1 1 13 VAL HA . 70 . HA 1 1 180 1 2 1 1 13 VAL MG1 . 70 . HG1# 1 1 181 1 1 1 1 13 VAL HA . 70 . HA 1 1 181 1 2 1 1 13 VAL MG2 . 70 . HG2# 1 1 182 1 1 1 1 13 VAL HA . 70 . HA 1 1 182 1 2 1 1 14 GLN H . 71 . HN 1 1 183 1 1 1 1 13 VAL HB . 70 . HB 1 1 183 1 2 1 1 14 GLN H . 71 . HN 1 1 184 1 1 1 1 13 VAL MG1 . 70 . HG1# 1 1 184 1 2 1 1 14 GLN H . 71 . HN 1 1 185 1 1 1 1 13 VAL MG1 . 70 . HG1# 1 1 185 1 2 1 1 14 GLN HG2 . 71 . HG2 1 1 186 1 1 1 1 13 VAL MG1 . 70 . HG1# 1 1 186 1 2 1 1 14 GLN HG3 . 71 . HG1 1 1 187 1 1 1 1 13 VAL MG2 . 70 . HG2# 1 1 187 1 2 1 1 14 GLN H . 71 . HN 1 1 188 1 1 1 1 14 GLN H . 71 . HN 1 1 188 1 2 1 1 14 GLN HB2 . 71 . HB1 1 1 189 1 1 1 1 14 GLN H . 71 . HN 1 1 189 1 2 1 1 14 GLN HB3 . 71 . HB2 1 1 190 1 1 1 1 14 GLN H . 71 . HN 1 1 190 1 2 1 1 14 GLN HG2 . 71 . HG2 1 1 191 1 1 1 1 14 GLN H . 71 . HN 1 1 191 1 2 1 1 14 GLN HG3 . 71 . HG1 1 1 192 1 1 1 1 14 GLN H . 71 . HN 1 1 192 1 2 1 1 17 GLN H . 74 . HN 1 1 193 1 1 1 1 14 GLN H . 71 . HN 1 1 193 1 2 1 1 17 GLN HB2 . 74 . HB2 1 1 194 1 1 1 1 14 GLN H . 71 . HN 1 1 194 1 2 1 1 17 GLN HB3 . 74 . HB1 1 1 195 1 1 1 1 14 GLN H . 71 . HN 1 1 195 1 2 1 1 17 GLN QG . 74 . HG2 1 1 196 1 1 1 1 14 GLN HB2 . 71 . HB1 1 1 196 1 2 1 1 17 GLN H . 74 . HN 1 1 197 1 1 1 1 14 GLN HB2 . 71 . HB1 1 1 197 1 2 1 1 17 GLN HB2 . 74 . HB2 1 1 198 1 1 1 1 14 GLN HB2 . 71 . HB1 1 1 198 1 2 1 1 17 GLN HB3 . 74 . HB1 1 1 199 1 1 1 1 14 GLN HB2 . 71 . HB1 1 1 199 1 2 1 1 17 GLN QG . 74 . HG2 1 1 200 1 1 1 1 14 GLN HB3 . 71 . HB2 1 1 200 1 2 1 1 17 GLN H . 74 . HN 1 1 201 1 1 1 1 16 SER HA . 73 . HA 1 1 201 1 2 1 1 16 SER QB . 73 . HB2 1 1 202 1 1 1 1 16 SER HA . 73 . HA 1 1 202 1 2 1 1 19 ALA H . 76 . HN 1 1 203 1 1 1 1 16 SER HA . 73 . HA 1 1 203 1 2 1 1 20 ASN H . 77 . HN 1 1 204 1 1 1 1 16 SER QB . 73 . HB2 1 1 204 1 2 1 1 17 GLN H . 74 . HN 1 1 205 1 1 1 1 17 GLN H . 74 . HN 1 1 205 1 2 1 1 17 GLN HB2 . 74 . HB2 1 1 206 1 1 1 1 17 GLN H . 74 . HN 1 1 206 1 2 1 1 17 GLN HB3 . 74 . HB1 1 1 207 1 1 1 1 17 GLN H . 74 . HN 1 1 207 1 2 1 1 17 GLN QG . 74 . HG2 1 1 208 1 1 1 1 17 GLN H . 74 . HN 1 1 208 1 2 1 1 20 ASN H . 77 . HN 1 1 209 1 1 1 1 17 GLN HA . 74 . HA 1 1 209 1 2 1 1 17 GLN QG . 74 . HG2 1 1 210 1 1 1 1 17 GLN HA . 74 . HA 1 1 210 1 2 1 1 20 ASN H . 77 . HN 1 1 211 1 1 1 1 17 GLN HA . 74 . HA 1 1 211 1 2 1 1 20 ASN QB . 77 . HB2 1 1 212 1 1 1 1 17 GLN HA . 74 . HA 1 1 212 1 2 1 1 21 HIS H . 78 . HN 1 1 213 1 1 1 1 18 LEU H . 75 . HN 1 1 213 1 2 1 1 18 LEU HB2 . 75 . HB2 1 1 214 1 1 1 1 18 LEU H . 75 . HN 1 1 214 1 2 1 1 18 LEU HB3 . 75 . HB1 1 1 215 1 1 1 1 18 LEU H . 75 . HN 1 1 215 1 2 1 1 18 LEU QD . 75 . HD2# 1 1 216 1 1 1 1 18 LEU H . 75 . HN 1 1 216 1 2 1 1 19 ALA H . 76 . HN 1 1 217 1 1 1 1 18 LEU H . 75 . HN 1 1 217 1 2 1 1 20 ASN H . 77 . HN 1 1 218 1 1 1 1 18 LEU H . 75 . HN 1 1 218 1 2 1 1 21 HIS H . 78 . HN 1 1 219 1 1 1 1 18 LEU HA . 75 . HA 1 1 219 1 2 1 1 18 LEU QD . 75 . HD2# 1 1 220 1 1 1 1 18 LEU HA . 75 . HA 1 1 220 1 2 1 1 19 ALA H . 76 . HN 1 1 221 1 1 1 1 18 LEU HA . 75 . HA 1 1 221 1 2 1 1 20 ASN H . 77 . HN 1 1 222 1 1 1 1 18 LEU HA . 75 . HA 1 1 222 1 2 1 1 21 HIS H . 78 . HN 1 1 223 1 1 1 1 18 LEU HA . 75 . HA 1 1 223 1 2 1 1 22 ILE H . 79 . HN 1 1 224 1 1 1 1 18 LEU HA . 75 . HA 1 1 224 1 2 1 1 22 ILE MD . 79 . HD1# 1 1 225 1 1 1 1 18 LEU HB2 . 75 . HB2 1 1 225 1 2 1 1 19 ALA H . 76 . HN 1 1 226 1 1 1 1 18 LEU HB3 . 75 . HB1 1 1 226 1 2 1 1 19 ALA H . 76 . HN 1 1 227 1 1 1 1 18 LEU HB3 . 75 . HB1 1 1 227 1 2 1 1 19 ALA MB . 76 . HB# 1 1 228 1 1 1 1 18 LEU QD . 75 . HD1# 1 1 228 1 2 1 1 19 ALA H . 76 . HN 1 1 229 1 1 1 1 18 LEU QD . 75 . HD1# 1 1 229 1 2 1 1 21 HIS HB2 . 78 . HB2 1 1 230 1 1 1 1 18 LEU QD . 75 . HD1# 1 1 230 1 2 1 1 21 HIS HB3 . 78 . HB1 1 1 231 1 1 1 1 18 LEU QD . 75 . HD1# 1 1 231 1 2 1 1 21 HIS HD2 . 78 . HD2 1 1 232 1 1 1 1 18 LEU QD . 75 . HD1# 1 1 232 1 2 1 1 22 ILE H . 79 . HN 1 1 233 1 1 1 1 18 LEU QD . 75 . HD1# 1 1 233 1 2 1 1 22 ILE HG13 . 79 . HG11 1 1 234 1 1 1 1 19 ALA H . 76 . HN 1 1 234 1 2 1 1 19 ALA HA . 76 . HA 1 1 235 1 1 1 1 19 ALA H . 76 . HN 1 1 235 1 2 1 1 19 ALA MB . 76 . HB# 1 1 236 1 1 1 1 19 ALA H . 76 . HN 1 1 236 1 2 1 1 20 ASN H . 77 . HN 1 1 237 1 1 1 1 19 ALA H . 76 . HN 1 1 237 1 2 1 1 20 ASN QB . 77 . HB2 1 1 238 1 1 1 1 19 ALA HA . 76 . HA 1 1 238 1 2 1 1 19 ALA MB . 76 . HB# 1 1 239 1 1 1 1 19 ALA HA . 76 . HA 1 1 239 1 2 1 1 20 ASN H . 77 . HN 1 1 240 1 1 1 1 19 ALA HA . 76 . HA 1 1 240 1 2 1 1 21 HIS H . 78 . HN 1 1 241 1 1 1 1 19 ALA HA . 76 . HA 1 1 241 1 2 1 1 22 ILE H . 79 . HN 1 1 242 1 1 1 1 19 ALA HA . 76 . HA 1 1 242 1 2 1 1 22 ILE HB . 79 . HB 1 1 243 1 1 1 1 19 ALA HA . 76 . HA 1 1 243 1 2 1 1 22 ILE MD . 79 . HD1# 1 1 244 1 1 1 1 19 ALA HA . 76 . HA 1 1 244 1 2 1 1 22 ILE MG . 79 . HG2# 1 1 245 1 1 1 1 19 ALA HA . 76 . HA 1 1 245 1 2 1 1 23 ARG H . 80 . HN 1 1 246 1 1 1 1 19 ALA MB . 76 . HB# 1 1 246 1 2 1 1 20 ASN H . 77 . HN 1 1 247 1 1 1 1 19 ALA MB . 76 . HB# 1 1 247 1 2 1 1 20 ASN QB . 77 . HB2 1 1 248 1 1 1 1 20 ASN H . 77 . HN 1 1 248 1 2 1 1 20 ASN HA . 77 . HA 1 1 249 1 1 1 1 20 ASN H . 77 . HN 1 1 249 1 2 1 1 20 ASN QB . 77 . HB2 1 1 250 1 1 1 1 20 ASN H . 77 . HN 1 1 250 1 2 1 1 22 ILE H . 79 . HN 1 1 251 1 1 1 1 20 ASN HA . 77 . HA 1 1 251 1 2 1 1 21 HIS H . 78 . HN 1 1 252 1 1 1 1 20 ASN HA . 77 . HA 1 1 252 1 2 1 1 23 ARG H . 80 . HN 1 1 253 1 1 1 1 20 ASN QB . 77 . HB2 1 1 253 1 2 1 1 20 ASN HD21 . 77 . HD21 1 1 254 1 1 1 1 20 ASN QB . 77 . HB2 1 1 254 1 2 1 1 21 HIS H . 78 . HN 1 1 255 1 1 1 1 21 HIS H . 78 . HN 1 1 255 1 2 1 1 21 HIS HA . 78 . HA 1 1 256 1 1 1 1 21 HIS H . 78 . HN 1 1 256 1 2 1 1 21 HIS HB2 . 78 . HB2 1 1 257 1 1 1 1 21 HIS H . 78 . HN 1 1 257 1 2 1 1 21 HIS HB3 . 78 . HB1 1 1 258 1 1 1 1 21 HIS H . 78 . HN 1 1 258 1 2 1 1 21 HIS HD2 . 78 . HD2 1 1 259 1 1 1 1 21 HIS H . 78 . HN 1 1 259 1 2 1 1 22 ILE H . 79 . HN 1 1 260 1 1 1 1 21 HIS HA . 78 . HA 1 1 260 1 2 1 1 22 ILE H . 79 . HN 1 1 261 1 1 1 1 21 HIS HA . 78 . HA 1 1 261 1 2 1 1 24 HIS H . 81 . HN 1 1 262 1 1 1 1 21 HIS HB2 . 78 . HB2 1 1 262 1 2 1 1 21 HIS HD2 . 78 . HD2 1 1 263 1 1 1 1 21 HIS HB2 . 78 . HB2 1 1 263 1 2 1 1 22 ILE H . 79 . HN 1 1 264 1 1 1 1 21 HIS HB3 . 78 . HB1 1 1 264 1 2 1 1 21 HIS HD2 . 78 . HD2 1 1 265 1 1 1 1 21 HIS HB3 . 78 . HB1 1 1 265 1 2 1 1 22 ILE H . 79 . HN 1 1 266 1 1 1 1 21 HIS HD2 . 78 . HD2 1 1 266 1 2 1 1 22 ILE H . 79 . HN 1 1 267 1 1 1 1 21 HIS HD2 . 78 . HD2 1 1 267 1 2 1 1 22 ILE HA . 79 . HA 1 1 268 1 1 1 1 21 HIS HD2 . 78 . HD2 1 1 268 1 2 1 1 22 ILE HB . 79 . HB 1 1 269 1 1 1 1 21 HIS HD2 . 78 . HD2 1 1 269 1 2 1 1 22 ILE MD . 79 . HD1# 1 1 270 1 1 1 1 21 HIS HD2 . 78 . HD2 1 1 270 1 2 1 1 22 ILE HG12 . 79 . HG12 1 1 271 1 1 1 1 21 HIS HD2 . 78 . HD2 1 1 271 1 2 1 1 22 ILE HG13 . 79 . HG11 1 1 272 1 1 1 1 21 HIS HD2 . 78 . HD2 1 1 272 1 2 1 1 22 ILE MG . 79 . HG2# 1 1 273 1 1 1 1 21 HIS HD2 . 78 . HD2 1 1 273 1 2 1 1 25 HIS HD2 . 82 . HD2 1 1 274 1 1 1 1 22 ILE H . 79 . HN 1 1 274 1 2 1 1 22 ILE HB . 79 . HB 1 1 275 1 1 1 1 22 ILE H . 79 . HN 1 1 275 1 2 1 1 22 ILE MD . 79 . HD1# 1 1 276 1 1 1 1 22 ILE H . 79 . HN 1 1 276 1 2 1 1 22 ILE HG12 . 79 . HG12 1 1 277 1 1 1 1 22 ILE H . 79 . HN 1 1 277 1 2 1 1 22 ILE HG13 . 79 . HG11 1 1 278 1 1 1 1 22 ILE H . 79 . HN 1 1 278 1 2 1 1 22 ILE MG . 79 . HG2# 1 1 279 1 1 1 1 22 ILE H . 79 . HN 1 1 279 1 2 1 1 23 ARG H . 80 . HN 1 1 280 1 1 1 1 22 ILE HA . 79 . HA 1 1 280 1 2 1 1 22 ILE MD . 79 . HD1# 1 1 281 1 1 1 1 22 ILE HA . 79 . HA 1 1 281 1 2 1 1 22 ILE HG12 . 79 . HG12 1 1 282 1 1 1 1 22 ILE HA . 79 . HA 1 1 282 1 2 1 1 22 ILE HG13 . 79 . HG11 1 1 283 1 1 1 1 22 ILE HA . 79 . HA 1 1 283 1 2 1 1 22 ILE MG . 79 . HG2# 1 1 284 1 1 1 1 22 ILE HA . 79 . HA 1 1 284 1 2 1 1 23 ARG H . 80 . HN 1 1 285 1 1 1 1 22 ILE HA . 79 . HA 1 1 285 1 2 1 1 25 HIS H . 82 . HN 1 1 286 1 1 1 1 22 ILE HA . 79 . HA 1 1 286 1 2 1 1 25 HIS HB2 . 82 . HB1 1 1 287 1 1 1 1 22 ILE HA . 79 . HA 1 1 287 1 2 1 1 25 HIS HB3 . 82 . HB2 1 1 288 1 1 1 1 22 ILE HA . 79 . HA 1 1 288 1 2 1 1 25 HIS HD2 . 82 . HD2 1 1 289 1 1 1 1 22 ILE HB . 79 . HB 1 1 289 1 2 1 1 22 ILE MD . 79 . HD1# 1 1 290 1 1 1 1 22 ILE HB . 79 . HB 1 1 290 1 2 1 1 22 ILE HG13 . 79 . HG11 1 1 291 1 1 1 1 22 ILE HB . 79 . HB 1 1 291 1 2 1 1 23 ARG H . 80 . HN 1 1 292 1 1 1 1 22 ILE HB . 79 . HB 1 1 292 1 2 1 1 25 HIS HD2 . 82 . HD2 1 1 293 1 1 1 1 22 ILE MD . 79 . HD1# 1 1 293 1 1 1 1 22 ILE MG . 79 . HG2# 1 1 293 1 2 1 1 25 HIS HB3 . 82 . HB2 1 1 294 1 1 1 1 22 ILE MD . 79 . HD1# 1 1 294 1 1 1 1 22 ILE MG . 79 . HG2# 1 1 294 1 2 1 1 25 HIS HD2 . 82 . HD2 1 1 295 1 1 1 1 22 ILE MD . 79 . HD1# 1 1 295 1 2 1 1 25 HIS HB2 . 82 . HB1 1 1 296 1 1 1 1 22 ILE MD . 79 . HD1# 1 1 296 1 2 1 1 25 HIS HD2 . 82 . HD2 1 1 297 1 1 1 1 22 ILE HG12 . 79 . HG12 1 1 297 1 2 1 1 22 ILE MG . 79 . HG2# 1 1 298 1 1 1 1 22 ILE HG12 . 79 . HG12 1 1 298 1 2 1 1 25 HIS HD2 . 82 . HD2 1 1 299 1 1 1 1 22 ILE HG13 . 79 . HG11 1 1 299 1 2 1 1 22 ILE MG . 79 . HG2# 1 1 300 1 1 1 1 22 ILE HG13 . 79 . HG11 1 1 300 1 2 1 1 25 HIS HD2 . 82 . HD2 1 1 301 1 1 1 1 22 ILE MG . 79 . HG2# 1 1 301 1 2 1 1 23 ARG H . 80 . HN 1 1 302 1 1 1 1 22 ILE MG . 79 . HG2# 1 1 302 1 2 1 1 23 ARG HA . 80 . HA 1 1 303 1 1 1 1 22 ILE MG . 79 . HG2# 1 1 303 1 2 1 1 25 HIS HD2 . 82 . HD2 1 1 304 1 1 1 1 23 ARG H . 80 . HN 1 1 304 1 2 1 1 23 ARG HA . 80 . HA 1 1 305 1 1 1 1 23 ARG H . 80 . HN 1 1 305 1 2 1 1 23 ARG HB2 . 80 . HB2 1 1 306 1 1 1 1 23 ARG H . 80 . HN 1 1 306 1 2 1 1 23 ARG HB3 . 80 . HB1 1 1 307 1 1 1 1 23 ARG H . 80 . HN 1 1 307 1 2 1 1 23 ARG QD . 80 . HD2 1 1 308 1 1 1 1 23 ARG H . 80 . HN 1 1 308 1 2 1 1 23 ARG HG2 . 80 . HG2 1 1 309 1 1 1 1 23 ARG H . 80 . HN 1 1 309 1 2 1 1 23 ARG HG3 . 80 . HG1 1 1 310 1 1 1 1 23 ARG HA . 80 . HA 1 1 310 1 2 1 1 23 ARG QD . 80 . HD2 1 1 311 1 1 1 1 23 ARG HA . 80 . HA 1 1 311 1 2 1 1 23 ARG HG2 . 80 . HG2 1 1 312 1 1 1 1 23 ARG HA . 80 . HA 1 1 312 1 2 1 1 23 ARG HG3 . 80 . HG1 1 1 313 1 1 1 1 23 ARG HA . 80 . HA 1 1 313 1 2 1 1 24 HIS H . 81 . HN 1 1 314 1 1 1 1 24 HIS H . 81 . HN 1 1 314 1 2 1 1 24 HIS HA . 81 . HA 1 1 315 1 1 1 1 24 HIS H . 81 . HN 1 1 315 1 2 1 1 24 HIS HB2 . 81 . HB2 1 1 316 1 1 1 1 24 HIS H . 81 . HN 1 1 316 1 2 1 1 24 HIS HB3 . 81 . HB1 1 1 317 1 1 1 1 24 HIS HA . 81 . HA 1 1 317 1 2 1 1 25 HIS H . 82 . HN 1 1 318 1 1 1 1 24 HIS HA . 81 . HA 1 1 318 1 2 1 1 26 ASP H . 83 . HN 1 1 319 1 1 1 1 25 HIS H . 82 . HN 1 1 319 1 2 1 1 25 HIS HB2 . 82 . HB1 1 1 320 1 1 1 1 25 HIS H . 82 . HN 1 1 320 1 2 1 1 25 HIS HB3 . 82 . HB2 1 1 321 1 1 1 1 25 HIS H . 82 . HN 1 1 321 1 2 1 1 25 HIS HD2 . 82 . HD2 1 1 322 1 1 1 1 25 HIS H . 82 . HN 1 1 322 1 2 1 1 26 ASP H . 83 . HN 1 1 323 1 1 1 1 25 HIS HA . 82 . HA 1 1 323 1 2 1 1 25 HIS HB3 . 82 . HB2 1 1 324 1 1 1 1 25 HIS HA . 82 . HA 1 1 324 1 2 1 1 25 HIS HD2 . 82 . HD2 1 1 325 1 1 1 1 25 HIS HA . 82 . HA 1 1 325 1 2 1 1 26 ASP H . 83 . HN 1 1 326 1 1 1 1 25 HIS HB2 . 82 . HB1 1 1 326 1 2 1 1 25 HIS HD2 . 82 . HD2 1 1 327 1 1 1 1 25 HIS HB2 . 82 . HB1 1 1 327 1 2 1 1 26 ASP H . 83 . HN 1 1 328 1 1 1 1 25 HIS HB3 . 82 . HB2 1 1 328 1 2 1 1 25 HIS HD2 . 82 . HD2 1 1 329 1 1 1 1 25 HIS HB3 . 82 . HB2 1 1 329 1 2 1 1 26 ASP H . 83 . HN 1 1 330 1 1 1 1 26 ASP H . 83 . HN 1 1 330 1 2 1 1 26 ASP HB2 . 83 . HB2 1 1 331 1 1 1 1 26 ASP H . 83 . HN 1 1 331 1 2 1 1 26 ASP HB3 . 83 . HB1 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 . . . . . 3.0 1.8 3.6 1 1 2 1 . . . . . 3.1 1.8 3.7 1 1 3 1 . . . . . 3.0 1.8 3.6 1 1 4 1 . . . . . 4.6 1.8 5.5 1 1 5 1 . . . . . 3.7 1.8 4.4 1 1 6 1 . . . . . 4.5 1.8 5.4 1 1 7 1 . . . . . 4.1 1.8 4.9 1 1 8 1 . . . . . 4.4 1.8 5.3 1 1 9 1 . . . . . 4.6 1.8 5.5 1 1 10 1 . . . . . 3.9 1.8 4.7 1 1 11 1 . . . . . 3.7 1.8 4.4 1 1 12 1 . . . . . 2.8 1.8 3.4 1 1 13 1 . . . . . 4.1 1.8 4.9 1 1 14 1 . . . . . 3.9 1.8 4.7 1 1 15 1 . . . . . 3.2 1.8 3.8 1 1 16 1 . . . . . 3.4 1.8 4.1 1 1 17 1 . . . . . 2.7 1.8 3.2 1 1 18 1 . . . . . 2.8 1.8 3.2 1 1 19 1 . . . . . 3.6 1.8 4.3 1 1 20 1 . . . . . 3.6 1.8 4.3 1 1 21 1 . . . . . 3.8 1.8 4.6 1 1 22 1 . . . . . 3.4 1.8 4.1 1 1 23 1 . . . . . 3.6 1.8 4.3 1 1 24 1 . . . . . 3.0 1.8 3.5 1 1 25 1 . . . . . 4.1 1.8 4.9 1 1 26 1 . . . . . 3.8 1.8 4.6 1 1 27 1 . . . . . 3.1 1.8 3.7 1 1 28 1 . . . . . 2.9 1.8 3.5 1 1 29 1 . . . . . 3.1 1.8 3.7 1 1 30 1 . . . . . 3.9 1.8 4.7 1 1 31 1 . . . . . 3.6 1.8 4.3 1 1 32 1 . . . . . 2.7 1.8 3.2 1 1 33 1 . . . . . 3.9 1.8 4.7 1 1 34 1 . . . . . 4.6 1.8 5.5 1 1 35 1 . . . . . 3.2 1.8 3.8 1 1 36 1 . . . . . 3.7 1.8 4.4 1 1 37 1 . . . . . 3.6 1.8 4.3 1 1 38 1 . . . . . 3.4 1.8 4.1 1 1 39 1 . . . . . 3.3 1.8 4.0 1 1 40 1 . . . . . 4.5 1.8 5.4 1 1 41 1 . . . . . 4.1 1.8 4.9 1 1 42 1 . . . . . 3.6 1.8 4.3 1 1 43 1 . . . . . 4.0 1.8 4.8 1 1 44 1 . . . . . 3.8 1.8 4.6 1 1 45 1 . . . . . 2.8 1.8 3.4 1 1 46 1 . . . . . 4.1 1.8 4.9 1 1 47 1 . . . . . 2.8 1.8 3.4 1 1 48 1 . . . . . 3.2 1.8 3.8 1 1 49 1 . . . . . 3.0 1.8 3.6 1 1 50 1 . . . . . 4.2 1.8 5.0 1 1 51 1 . . . . . 3.6 1.8 3.8 1 1 52 1 . . . . . 3.5 1.8 4.2 1 1 53 1 . . . . . 3.3 1.8 4.0 1 1 54 1 . . . . . 3.0 1.8 3.6 1 1 55 1 . . . . . 4.1 1.8 4.9 1 1 56 1 . . . . . 3.0 1.8 3.6 1 1 57 1 . . . . . 3.9 1.8 4.7 1 1 58 1 . . . . . 3.1 1.8 3.7 1 1 59 1 . . . . . 3.2 1.8 3.8 1 1 60 1 . . . . . 3.1 1.8 3.7 1 1 61 1 . . . . . 3.8 1.8 4.6 1 1 62 1 . . . . . 3.8 1.8 3.8 1 1 63 1 . . . . . 3.2 1.8 3.8 1 1 64 1 . . . . . . 1.8 3.8 1 1 65 1 . . . . . 3.9 1.8 4.7 1 1 66 1 . . . . . 4.0 1.8 4.2 1 1 67 1 . . . . . 3.3 1.8 3.8 1 1 68 1 . . . . . 4.7 1.8 5.6 1 1 69 1 . . . . . 3.9 1.8 4.7 1 1 70 1 . . . . . 3.1 1.8 3.7 1 1 71 1 . . . . . 3.6 1.8 4.3 1 1 72 1 . . . . . 3.6 1.8 3.6 1 1 73 1 . . . . . . 1.8 4.3 1 1 74 1 . . . . . 4.3 1.8 5.2 1 1 75 1 . . . . . 3.6 1.8 4.3 1 1 76 1 . . . . . 2.9 1.8 3.5 1 1 77 1 . . . . . 2.5 1.8 3.0 1 1 78 1 . . . . . . 1.8 3.5 1 1 79 1 . . . . . . 1.8 3.1 1 1 80 1 . . . . . 2.6 1.8 3.1 1 1 81 1 . . . . . 2.8 1.8 3.4 1 1 82 1 . . . . . 4.6 1.8 5.5 1 1 83 1 . . . . . 3.5 1.8 4.0 1 1 84 1 . . . . . 3.8 1.8 4.6 1 1 85 1 . . . . . 4.6 1.8 5.5 1 1 86 1 . . . . . 4.4 1.8 5.3 1 1 87 1 . . . . . . 1.8 3.4 1 1 88 1 . . . . . . 1.8 3.6 1 1 89 1 . . . . . 3.2 1.8 3.8 1 1 90 1 . . . . . . 1.8 3.7 1 1 91 1 . . . . . . 1.8 3.7 1 1 92 1 . . . . . 4.0 1.8 4.8 1 1 93 1 . . . . . 4.1 1.8 4.1 1 1 94 1 . . . . . 3.2 1.8 3.8 1 1 95 1 . . . . . 3.8 1.8 4.6 1 1 96 1 . . . . . 4.2 1.8 5.0 1 1 97 1 . . . . . 4.3 1.8 5.2 1 1 98 1 . . . . . 3.3 1.8 4.0 1 1 99 1 . . . . . 3.1 1.8 3.7 1 1 100 1 . . . . . 2.4 1.8 2.9 1 1 101 1 . . . . . 3.4 1.8 3.5 1 1 102 1 . . . . . 3.0 1.8 3.4 1 1 103 1 . . . . . 3.6 1.8 4.3 1 1 104 1 . . . . . 3.7 1.8 4.4 1 1 105 1 . . . . . 3.3 1.8 3.7 1 1 106 1 . . . . . 3.0 1.8 3.6 1 1 107 1 . . . . . 3.0 1.8 3.4 1 1 108 1 . . . . . 2.8 1.8 3.1 1 1 109 1 . . . . . 3.2 1.8 3.8 1 1 110 1 . . . . . 3.6 1.8 4.3 1 1 111 1 . . . . . 3.7 1.8 4.4 1 1 112 1 . . . . . 2.5 1.8 3.0 1 1 113 1 . . . . . 3.2 1.8 3.2 1 1 114 1 . . . . . 3.3 1.8 4.0 1 1 115 1 . . . . . 2.8 1.8 3.4 1 1 116 1 . . . . . . 1.8 3.2 1 1 117 1 . . . . . 3.8 1.8 4.6 1 1 118 1 . . . . . 4.1 1.8 4.6 1 1 119 1 . . . . . 3.7 1.8 4.4 1 1 120 1 . . . . . 3.7 1.8 4.4 1 1 121 1 . . . . . 2.6 1.8 3.0 1 1 122 1 . . . . . 4.7 1.8 5.6 1 1 123 1 . . . . . 3.6 1.8 4.3 1 1 124 1 . . . . . 3.0 1.8 3.6 1 1 125 1 . . . . . 3.0 1.8 3.6 1 1 126 1 . . . . . 4.2 1.8 5.0 1 1 127 1 . . . . . 4.1 1.8 4.9 1 1 128 1 . . . . . 2.9 1.8 3.5 1 1 129 1 . . . . . . 1.8 3.1 1 1 130 1 . . . . . 4.0 1.8 4.8 1 1 131 1 . . . . . 3.9 1.8 4.7 1 1 132 1 . . . . . . 1.8 3.1 1 1 133 1 . . . . . 4.2 1.8 4.9 1 1 134 1 . . . . . 3.0 1.8 3.6 1 1 135 1 . . . . . 4.3 1.8 5.2 1 1 136 1 . . . . . 3.1 1.8 3.6 1 1 137 1 . . . . . 3.0 1.8 3.2 1 1 138 1 . . . . . 3.8 1.8 4.6 1 1 139 1 . . . . . 3.6 1.8 4.3 1 1 140 1 . . . . . 2.4 1.8 2.9 1 1 141 1 . . . . . 3.1 1.8 3.7 1 1 142 1 . . . . . 3.5 1.8 4.2 1 1 143 1 . . . . . 2.1 1.8 2.5 1 1 144 1 . . . . . . 1.8 3.7 1 1 145 1 . . . . . . 1.8 3.7 1 1 146 1 . . . . . 3.9 1.8 4.7 1 1 147 1 . . . . . 3.1 1.8 3.7 1 1 148 1 . . . . . 3.4 1.8 4.1 1 1 149 1 . . . . . 3.7 1.8 4.4 1 1 150 1 . . . . . 2.6 1.8 3.1 1 1 151 1 . . . . . 3.1 1.8 3.7 1 1 152 1 . . . . . . 1.8 4.0 1 1 153 1 . . . . . 4.2 1.8 5.0 1 1 154 1 . . . . . 4.2 1.8 5.0 1 1 155 1 . . . . . 4.0 1.8 4.8 1 1 156 1 . . . . . 3.9 1.8 4.4 1 1 157 1 . . . . . 4.5 1.8 5.4 1 1 158 1 . . . . . 3.8 1.8 4.6 1 1 159 1 . . . . . . 1.8 3.5 1 1 160 1 . . . . . . 1.8 3.8 1 1 161 1 . . . . . 3.9 1.8 4.7 1 1 162 1 . . . . . 4.0 1.8 4.6 1 1 163 1 . . . . . 4.6 1.8 5.5 1 1 164 1 . . . . . 3.6 1.8 4.3 1 1 165 1 . . . . . 4.2 1.8 5.0 1 1 166 1 . . . . . 4.2 1.8 5.0 1 1 167 1 . . . . . 3.5 1.8 4.2 1 1 168 1 . . . . . 4.3 1.8 5.2 1 1 169 1 . . . . . 3.4 1.8 4.1 1 1 170 1 . . . . . 3.5 1.8 4.1 1 1 171 1 . . . . . 3.3 1.8 4.0 1 1 172 1 . . . . . 3.7 1.8 4.4 1 1 173 1 . . . . . 3.7 1.8 4.3 1 1 174 1 . . . . . 3.2 1.8 3.7 1 1 175 1 . . . . . 2.7 1.8 3.2 1 1 176 1 . . . . . 2.7 1.8 3.2 1 1 177 1 . . . . . 3.0 1.8 3.6 1 1 178 1 . . . . . 3.0 1.8 3.4 1 1 179 1 . . . . . 4.1 1.8 4.9 1 1 180 1 . . . . . 3.0 1.8 3.6 1 1 181 1 . . . . . 2.8 1.8 3.4 1 1 182 1 . . . . . 3.7 1.8 4.4 1 1 183 1 . . . . . 2.6 1.8 3.1 1 1 184 1 . . . . . 3.3 1.8 4.0 1 1 185 1 . . . . . 3.3 1.8 4.0 1 1 186 1 . . . . . 3.3 1.8 4.0 1 1 187 1 . . . . . 3.6 1.8 4.3 1 1 188 1 . . . . . 3.1 1.8 3.7 1 1 189 1 . . . . . 2.6 1.8 3.1 1 1 190 1 . . . . . 2.7 1.8 3.2 1 1 191 1 . . . . . 2.7 1.8 3.2 1 1 192 1 . . . . . 3.7 1.8 4.0 1 1 193 1 . . . . . 4.0 1.8 4.8 1 1 194 1 . . . . . 4.0 1.8 4.8 1 1 195 1 . . . . . 3.7 1.8 4.4 1 1 196 1 . . . . . 3.0 1.8 3.6 1 1 197 1 . . . . . 4.2 1.8 5.0 1 1 198 1 . . . . . 4.0 1.8 4.8 1 1 199 1 . . . . . 3.7 1.8 4.4 1 1 200 1 . . . . . . 1.8 3.4 1 1 201 1 . . . . . 2.6 1.8 3.1 1 1 202 1 . . . . . 3.7 1.8 4.4 1 1 203 1 . . . . . 4.3 1.8 5.2 1 1 204 1 . . . . . 3.4 1.8 4.1 1 1 205 1 . . . . . 2.5 1.8 3.0 1 1 206 1 . . . . . 3.3 1.8 3.7 1 1 207 1 . . . . . 3.5 1.8 4.2 1 1 208 1 . . . . . 3.4 1.8 4.1 1 1 209 1 . . . . . 3.6 1.8 4.3 1 1 210 1 . . . . . 3.1 1.8 3.7 1 1 211 1 . . . . . 3.2 1.8 3.6 1 1 212 1 . . . . . 3.5 1.8 4.2 1 1 213 1 . . . . . 3.5 1.8 3.5 1 1 214 1 . . . . . 2.8 1.8 3.4 1 1 215 1 . . . . . 4.0 1.8 4.1 1 1 216 1 . . . . . 2.9 1.8 3.5 1 1 217 1 . . . . . . 1.8 4.0 1 1 218 1 . . . . . 4.0 1.8 4.8 1 1 219 1 . . . . . . 1.8 3.5 1 1 220 1 . . . . . . 1.8 4.2 1 1 221 1 . . . . . 3.7 1.8 4.4 1 1 222 1 . . . . . . 1.8 3.1 1 1 223 1 . . . . . 4.6 1.8 5.5 1 1 224 1 . . . . . 4.1 1.8 4.9 1 1 225 1 . . . . . . 1.8 3.8 1 1 226 1 . . . . . . 1.8 3.4 1 1 227 1 . . . . . 3.6 1.8 4.3 1 1 228 1 . . . . . 3.1 1.8 3.7 1 1 229 1 . . . . . 3.5 1.8 4.2 1 1 230 1 . . . . . 3.5 1.8 4.2 1 1 231 1 . . . . . 2.9 1.8 3.5 1 1 232 1 . . . . . 4.5 1.8 5.4 1 1 233 1 . . . . . 3.3 1.8 4.0 1 1 234 1 . . . . . 3.0 1.8 3.1 1 1 235 1 . . . . . 2.5 1.8 3.0 1 1 236 1 . . . . . 3.0 1.8 3.6 1 1 237 1 . . . . . 3.8 1.8 4.6 1 1 238 1 . . . . . 2.4 1.8 2.9 1 1 239 1 . . . . . 3.1 1.8 3.7 1 1 240 1 . . . . . 3.6 1.8 4.3 1 1 241 1 . . . . . 3.2 1.8 3.8 1 1 242 1 . . . . . 2.9 1.8 3.5 1 1 243 1 . . . . . 2.9 1.8 3.5 1 1 244 1 . . . . . 3.5 1.8 4.2 1 1 245 1 . . . . . 2.9 1.8 3.5 1 1 246 1 . . . . . 3.0 1.8 3.4 1 1 247 1 . . . . . 3.7 1.8 4.4 1 1 248 1 . . . . . 2.9 1.8 3.5 1 1 249 1 . . . . . 2.5 1.8 3.0 1 1 250 1 . . . . . 4.0 1.8 4.8 1 1 251 1 . . . . . 3.2 1.8 3.8 1 1 252 1 . . . . . 3.6 1.8 4.3 1 1 253 1 . . . . . 2.9 1.8 3.5 1 1 254 1 . . . . . 2.7 1.8 3.2 1 1 255 1 . . . . . 2.9 1.8 3.5 1 1 256 1 . . . . . 2.9 1.8 3.1 1 1 257 1 . . . . . 3.0 1.8 3.1 1 1 258 1 . . . . . 4.4 1.8 5.3 1 1 259 1 . . . . . 3.0 1.8 3.6 1 1 260 1 . . . . . 3.6 1.8 4.3 1 1 261 1 . . . . . 3.8 1.8 4.6 1 1 262 1 . . . . . 3.4 1.8 3.7 1 1 263 1 . . . . . 3.4 1.8 4.1 1 1 264 1 . . . . . 3.5 1.8 4.2 1 1 265 1 . . . . . 3.1 1.8 3.7 1 1 266 1 . . . . . 4.3 1.8 5.0 1 1 267 1 . . . . . 4.0 1.8 4.8 1 1 268 1 . . . . . 4.7 1.8 5.6 1 1 269 1 . . . . . 4.0 1.8 4.8 1 1 270 1 . . . . . 4.1 1.8 4.9 1 1 271 1 . . . . . 3.8 1.8 4.6 1 1 272 1 . . . . . 3.7 1.8 4.4 1 1 273 1 . . . . . 3.6 1.8 4.3 1 1 274 1 . . . . . 2.9 1.8 3.5 1 1 275 1 . . . . . 3.0 1.8 3.6 1 1 276 1 . . . . . 3.6 1.8 3.8 1 1 277 1 . . . . . 3.4 1.8 3.7 1 1 278 1 . . . . . 3.0 1.8 3.6 1 1 279 1 . . . . . 3.0 1.8 3.6 1 1 280 1 . . . . . . 1.8 3.6 1 1 281 1 . . . . . 3.6 1.8 4.0 1 1 282 1 . . . . . 3.8 1.8 4.1 1 1 283 1 . . . . . 3.0 1.8 3.6 1 1 284 1 . . . . . 3.7 1.8 4.4 1 1 285 1 . . . . . 4.0 1.8 4.8 1 1 286 1 . . . . . 3.8 1.8 4.4 1 1 287 1 . . . . . 3.4 1.8 4.1 1 1 288 1 . . . . . 3.2 1.8 3.8 1 1 289 1 . . . . . 3.0 1.8 3.2 1 1 290 1 . . . . . 2.5 1.8 3.0 1 1 291 1 . . . . . 3.5 1.8 4.2 1 1 292 1 . . . . . 4.9 1.8 5.9 1 1 293 1 . . . . . 3.8 1.8 4.6 1 1 294 1 . . . . . 3.6 1.8 4.3 1 1 295 1 . . . . . 4.1 1.8 4.9 1 1 296 1 . . . . . 4.3 1.8 5.2 1 1 297 1 . . . . . 2.8 1.8 3.2 1 1 298 1 . . . . . 3.8 1.8 4.6 1 1 299 1 . . . . . 2.9 1.8 3.5 1 1 300 1 . . . . . 4.2 1.8 5.0 1 1 301 1 . . . . . 3.6 1.8 4.3 1 1 302 1 . . . . . 3.5 1.8 4.2 1 1 303 1 . . . . . 4.0 1.8 4.8 1 1 304 1 . . . . . 2.9 1.8 3.5 1 1 305 1 . . . . . 2.6 1.8 3.1 1 1 306 1 . . . . . 2.6 1.8 3.1 1 1 307 1 . . . . . 3.7 1.8 4.4 1 1 308 1 . . . . . . 1.8 3.1 1 1 309 1 . . . . . . 1.8 3.6 1 1 310 1 . . . . . 3.2 1.8 3.8 1 1 311 1 . . . . . 3.7 1.8 4.4 1 1 312 1 . . . . . 3.6 1.8 4.3 1 1 313 1 . . . . . 3.4 1.8 4.1 1 1 314 1 . . . . . 2.9 1.8 3.5 1 1 315 1 . . . . . 3.2 1.8 3.8 1 1 316 1 . . . . . 3.1 1.8 3.7 1 1 317 1 . . . . . 2.9 1.8 3.5 1 1 318 1 . . . . . 3.3 1.8 4.0 1 1 319 1 . . . . . 3.2 1.8 3.8 1 1 320 1 . . . . . 3.6 1.8 3.6 1 1 321 1 . . . . . 4.5 1.8 5.4 1 1 322 1 . . . . . 3.9 1.8 4.7 1 1 323 1 . . . . . 3.0 1.8 3.6 1 1 324 1 . . . . . 4.5 1.8 5.4 1 1 325 1 . . . . . 2.7 1.8 3.2 1 1 326 1 . . . . . 3.7 1.8 4.4 1 1 327 1 . . . . . 3.9 1.8 4.7 1 1 328 1 . . . . . 3.5 1.8 4.2 1 1 329 1 . . . . . 3.8 1.8 4.6 1 1 330 1 . . . . . 3.1 1.8 3.7 1 1 331 1 . . . . . . 1.8 3.6 1 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 1 LYS N 1 1 1 LYS CA 1 1 1 LYS C 1 1 2 PRO N 100.0 191.2 A 58 . N A 58 . CA A 58 . C A 59 . N 1 1 2 . 1 1 1 LYS C 1 1 2 PRO N 1 1 2 PRO CA 1 1 2 PRO C -89.99999 -47.68 A 58 . C A 59 . N A 59 . CA A 59 . C 1 1 3 . 1 1 2 PRO C 1 1 3 TYR N 1 1 3 TYR CA 1 1 3 TYR C -179.99998 20.96 A 59 . C A 60 . N A 60 . CA A 60 . C 1 1 4 . 1 1 3 TYR N 1 1 3 TYR CA 1 1 3 TYR C 1 1 4 VAL N 89.99999 202.42 A 60 . N A 60 . CA A 60 . C A 61 . N 1 1 5 . 1 1 3 TYR C 1 1 4 VAL N 1 1 4 VAL CA 1 1 4 VAL C -150.0 -79.92 A 60 . C A 61 . N A 61 . CA A 61 . C 1 1 6 . 1 1 4 VAL N 1 1 4 VAL CA 1 1 4 VAL C 1 1 5 CYS N 100.0 151.7 A 61 . N A 61 . CA A 61 . C A 62 . N 1 1 7 . 1 1 4 VAL C 1 1 5 CYS N 1 1 5 CYS CA 1 1 5 CYS C -110.0 -38.68 A 61 . C A 62 . N A 62 . CA A 62 . C 1 1 8 . 1 1 5 CYS N 1 1 5 CYS CA 1 1 5 CYS C 1 1 6 GLU N 80.0 161.0 A 62 . N A 62 . CA A 62 . C A 63 . N 1 1 9 . 1 1 5 CYS C 1 1 6 GLU N 1 1 6 GLU CA 1 1 6 GLU C -89.99999 -21.28 A 62 . C A 63 . N A 63 . CA A 63 . C 1 1 10 . 1 1 6 GLU N 1 1 6 GLU CA 1 1 6 GLU C 1 1 7 ARG N -60.0 10.96 A 63 . N A 63 . CA A 63 . C A 64 . N 1 1 11 . 1 1 6 GLU C 1 1 7 ARG N 1 1 7 ARG CA 1 1 7 ARG C -120.0 -32.42 A 63 . C A 64 . N A 64 . CA A 64 . C 1 1 12 . 1 1 7 ARG N 1 1 7 ARG CA 1 1 7 ARG C 1 1 8 CYS N -70.0 34.84 A 64 . N A 64 . CA A 64 . C A 65 . N 1 1 13 . 1 1 7 ARG C 1 1 8 CYS N 1 1 8 CYS CA 1 1 8 CYS C -140.0 -61.04 A 64 . C A 65 . N A 65 . CA A 65 . C 1 1 14 . 1 1 8 CYS N 1 1 8 CYS CA 1 1 8 CYS C 1 1 9 GLY N -40.0 39.18 A 65 . N A 65 . CA A 65 . C A 66 . N 1 1 15 . 1 1 8 CYS C 1 1 9 GLY N 1 1 9 GLY CA 1 1 9 GLY C 60.0 109.02 A 65 . C A 66 . N A 66 . CA A 66 . C 1 1 16 . 1 1 9 GLY N 1 1 9 GLY CA 1 1 9 GLY C 1 1 10 LYS N -30.0 28.24 A 66 . N A 66 . CA A 66 . C A 67 . N 1 1 17 . 1 1 9 GLY C 1 1 10 LYS N 1 1 10 LYS CA 1 1 10 LYS C -100.0 -34.32 A 66 . C A 67 . N A 67 . CA A 67 . C 1 1 18 . 1 1 10 LYS N 1 1 10 LYS CA 1 1 10 LYS C 1 1 11 ARG N 120.0 174.0 A 67 . N A 67 . CA A 67 . C A 68 . N 1 1 19 . 1 1 10 LYS C 1 1 11 ARG N 1 1 11 ARG CA 1 1 11 ARG C -160.0 -65.48 A 67 . C A 68 . N A 68 . CA A 68 . C 1 1 20 . 1 1 11 ARG N 1 1 11 ARG CA 1 1 11 ARG C 1 1 12 PHE N 100.0 172.9 A 68 . N A 68 . CA A 68 . C A 69 . N 1 1 21 . 1 1 11 ARG C 1 1 12 PHE N 1 1 12 PHE CA 1 1 12 PHE C -170.0 -101.36 A 68 . C A 69 . N A 69 . CA A 69 . C 1 1 22 . 1 1 12 PHE N 1 1 12 PHE CA 1 1 12 PHE C 1 1 13 VAL N 120.0 184.86 A 69 . N A 69 . CA A 69 . C A 70 . N 1 1 23 . 1 1 12 PHE C 1 1 13 VAL N 1 1 13 VAL CA 1 1 13 VAL C -130.0 -31.76 A 69 . C A 70 . N A 70 . CA A 70 . C 1 1 24 . 1 1 13 VAL N 1 1 13 VAL CA 1 1 13 VAL C 1 1 14 GLN N -60.0 22.84 A 70 . N A 70 . CA A 70 . C A 71 . N 1 1 25 . 1 1 13 VAL C 1 1 14 GLN N 1 1 14 GLN CA 1 1 14 GLN C -179.99998 -90.14 A 70 . C A 71 . N A 71 . CA A 71 . C 1 1 26 . 1 1 14 GLN N 1 1 14 GLN CA 1 1 14 GLN C 1 1 15 SER N 130.0 196.18 A 71 . N A 71 . CA A 71 . C A 72 . N 1 1 27 . 1 1 14 GLN C 1 1 15 SER N 1 1 15 SER CA 1 1 15 SER C -89.99999 -23.54 A 71 . C A 72 . N A 72 . CA A 72 . C 1 1 28 . 1 1 15 SER N 1 1 15 SER CA 1 1 15 SER C 1 1 16 SER N -70.0 2.26 A 72 . N A 72 . CA A 72 . C A 73 . N 1 1 29 . 1 1 15 SER C 1 1 16 SER N 1 1 16 SER CA 1 1 16 SER C -89.99999 -38.8 A 72 . C A 73 . N A 73 . CA A 73 . C 1 1 30 . 1 1 16 SER N 1 1 16 SER CA 1 1 16 SER C 1 1 17 GLN N -70.0 -14.44 A 73 . N A 73 . CA A 73 . C A 74 . N 1 1 31 . 1 1 16 SER C 1 1 17 GLN N 1 1 17 GLN CA 1 1 17 GLN C -89.99999 -37.7 A 73 . C A 74 . N A 74 . CA A 74 . C 1 1 32 . 1 1 17 GLN N 1 1 17 GLN CA 1 1 17 GLN C 1 1 18 LEU N -70.0 -11.76 A 74 . N A 74 . CA A 74 . C A 75 . N 1 1 33 . 1 1 17 GLN C 1 1 18 LEU N 1 1 18 LEU CA 1 1 18 LEU C -89.99999 -39.02 A 74 . C A 75 . N A 75 . CA A 75 . C 1 1 34 . 1 1 18 LEU N 1 1 18 LEU CA 1 1 18 LEU C 1 1 19 ALA N -70.0 -19.7 A 75 . N A 75 . CA A 75 . C A 76 . N 1 1 35 . 1 1 18 LEU C 1 1 19 ALA N 1 1 19 ALA CA 1 1 19 ALA C -89.99999 -37.56 A 75 . C A 76 . N A 76 . CA A 76 . C 1 1 36 . 1 1 19 ALA N 1 1 19 ALA CA 1 1 19 ALA C 1 1 20 ASN N -70.0 -12.94 A 76 . N A 76 . CA A 76 . C A 77 . N 1 1 37 . 1 1 19 ALA C 1 1 20 ASN N 1 1 20 ASN CA 1 1 20 ASN C -89.99999 -39.64 A 76 . C A 77 . N A 77 . CA A 77 . C 1 1 38 . 1 1 20 ASN N 1 1 20 ASN CA 1 1 20 ASN C 1 1 21 HIS N -70.0 -17.52 A 77 . N A 77 . CA A 77 . C A 78 . N 1 1 39 . 1 1 20 ASN C 1 1 21 HIS N 1 1 21 HIS CA 1 1 21 HIS C -89.99999 -33.9 A 77 . C A 78 . N A 78 . CA A 78 . C 1 1 40 . 1 1 21 HIS N 1 1 21 HIS CA 1 1 21 HIS C 1 1 22 ILE N -70.0 -19.159998 A 78 . N A 78 . CA A 78 . C A 79 . N 1 1 41 . 1 1 21 HIS C 1 1 22 ILE N 1 1 22 ILE CA 1 1 22 ILE C -80.0 -37.82 A 78 . C A 79 . N A 79 . CA A 79 . C 1 1 42 . 1 1 22 ILE N 1 1 22 ILE CA 1 1 22 ILE C 1 1 23 ARG N -70.0 -15.5199995 A 79 . N A 79 . CA A 79 . C A 80 . N 1 1 43 . 1 1 22 ILE C 1 1 23 ARG N 1 1 23 ARG CA 1 1 23 ARG C -89.99999 -36.14 A 79 . C A 80 . N A 80 . CA A 80 . C 1 1 44 . 1 1 23 ARG N 1 1 23 ARG CA 1 1 23 ARG C 1 1 24 HIS N -60.0 4.22 A 80 . N A 80 . CA A 80 . C A 81 . N 1 1 45 . 1 1 23 ARG C 1 1 24 HIS N 1 1 24 HIS CA 1 1 24 HIS C -120.0 -54.5 A 80 . C A 81 . N A 81 . CA A 81 . C 1 1 46 . 1 1 24 HIS N 1 1 24 HIS CA 1 1 24 HIS C 1 1 25 HIS N -40.0 29.24 A 81 . N A 81 . CA A 81 . C A 82 . N 1 1 47 . 1 1 5 CYS N 1 1 5 CYS CA 1 1 5 CYS CB 1 1 5 CYS SG 140.0 220.0 A 62 . N A 62 . CA A 62 . CB A 62 . SG 1 1 48 . 1 1 8 CYS N 1 1 8 CYS CA 1 1 8 CYS CB 1 1 8 CYS SG 20.0 100.0 A 65 . N A 65 . CA A 65 . CB A 65 . SG 1 1 49 . 1 1 12 PHE N 1 1 12 PHE CA 1 1 12 PHE CB 1 1 12 PHE CG -100.0 -20.0 A 69 . N A 69 . CA A 69 . CB A 69 . CG 1 1 50 . 1 1 14 GLN N 1 1 14 GLN CA 1 1 14 GLN CB 1 1 14 GLN CG -100.0 -20.0 A 71 . N A 71 . CA A 71 . CB A 71 . CG 1 1 51 . 1 1 17 GLN N 1 1 17 GLN CA 1 1 17 GLN CB 1 1 17 GLN CG -100.0 -20.0 A 74 . N A 74 . CA A 74 . CB A 74 . CG1 1 1 52 . 1 1 18 LEU N 1 1 18 LEU CA 1 1 18 LEU CB 1 1 18 LEU CG 140.0 220.0 A 75 . N A 75 . CA A 75 . CB A 75 . CG 1 1 53 . 1 1 21 HIS N 1 1 21 HIS CA 1 1 21 HIS CB 1 1 21 HIS CG 140.0 220.0 A 78 . N A 78 . CA A 78 . CB A 78 . CG 1 1 54 . 1 1 25 HIS N 1 1 25 HIS CA 1 1 25 HIS CB 1 1 25 HIS CG -100.0 -20.0 A 82 . N A 82 . CA A 82 . CB A 82 . CG 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 LYS C C 9.875 -2.997 2.013 1.00 . A A . 58 LYS C 1 1 1 2 1 1 1 LYS CA C 10.972 -1.981 1.713 1.00 . A A . 58 LYS CA 1 1 1 3 1 1 1 LYS CB C 10.338 -0.648 1.305 1.00 . A A . 58 LYS CB 1 1 1 4 1 1 1 LYS CD C 11.967 0.779 2.594 1.00 . A A . 58 LYS CD 1 1 1 5 1 1 1 LYS CE C 12.750 2.087 2.600 1.00 . A A . 58 LYS CE 1 1 1 6 1 1 1 LYS CG C 11.318 0.514 1.243 1.00 . A A . 58 LYS CG 1 1 1 7 1 1 1 LYS H1 H 12.635 -1.802 0.463 1.00 . A A . 58 LYS H1 1 1 1 8 1 1 1 LYS H2 H 11.327 -2.626 -0.237 1.00 . A A . 58 LYS H2 1 1 1 9 1 1 1 LYS H3 H 12.284 -3.395 0.933 1.00 . A A . 58 LYS H3 1 1 1 10 1 1 1 LYS HA H 11.560 -1.832 2.606 1.00 . A A . 58 LYS HA 1 1 1 11 1 1 1 LYS HB2 H 9.889 -0.763 0.330 1.00 . A A . 58 LYS HB2 1 1 1 12 1 1 1 LYS HB3 H 9.565 -0.400 2.019 1.00 . A A . 58 LYS HB3 1 1 1 13 1 1 1 LYS HD2 H 11.196 0.831 3.347 1.00 . A A . 58 LYS HD2 1 1 1 14 1 1 1 LYS HD3 H 12.641 -0.032 2.824 1.00 . A A . 58 LYS HD3 1 1 1 15 1 1 1 LYS HE2 H 12.069 2.896 2.382 1.00 . A A . 58 LYS HE2 1 1 1 16 1 1 1 LYS HE3 H 13.173 2.233 3.584 1.00 . A A . 58 LYS HE3 1 1 1 17 1 1 1 LYS HG2 H 12.090 0.282 0.524 1.00 . A A . 58 LYS HG2 1 1 1 18 1 1 1 LYS HG3 H 10.788 1.402 0.928 1.00 . A A . 58 LYS HG3 1 1 1 19 1 1 1 LYS HZ1 H 14.352 3.015 1.631 1.00 . A A . 58 LYS HZ1 1 1 1 20 1 1 1 LYS HZ2 H 13.463 1.971 0.634 1.00 . A A . 58 LYS HZ2 1 1 1 21 1 1 1 LYS HZ3 H 14.531 1.334 1.790 1.00 . A A . 58 LYS HZ3 1 1 1 22 1 1 1 LYS N N 11.867 -2.483 0.646 1.00 . A A . 58 LYS N 1 1 1 23 1 1 1 LYS NZ N 13.848 2.101 1.595 1.00 . A A . 58 LYS NZ 1 1 1 24 1 1 1 LYS O O 9.104 -3.372 1.127 1.00 . A A . 58 LYS O 1 1 1 25 1 1 2 PRO C C 7.412 -3.795 3.889 1.00 . A A . 59 PRO C 1 1 1 26 1 1 2 PRO CA C 8.792 -4.424 3.728 1.00 . A A . 59 PRO CA 1 1 1 27 1 1 2 PRO CB C 9.324 -4.893 5.092 1.00 . A A . 59 PRO CB 1 1 1 28 1 1 2 PRO CD C 10.668 -3.050 4.372 1.00 . A A . 59 PRO CD 1 1 1 29 1 1 2 PRO CG C 10.678 -4.275 5.234 1.00 . A A . 59 PRO CG 1 1 1 30 1 1 2 PRO HA H 8.724 -5.264 3.054 1.00 . A A . 59 PRO HA 1 1 1 31 1 1 2 PRO HB2 H 8.654 -4.559 5.874 1.00 . A A . 59 PRO HB2 1 1 1 32 1 1 2 PRO HB3 H 9.385 -5.973 5.101 1.00 . A A . 59 PRO HB3 1 1 1 33 1 1 2 PRO HD2 H 10.257 -2.206 4.910 1.00 . A A . 59 PRO HD2 1 1 1 34 1 1 2 PRO HD3 H 11.662 -2.828 4.013 1.00 . A A . 59 PRO HD3 1 1 1 35 1 1 2 PRO HG2 H 10.851 -4.007 6.265 1.00 . A A . 59 PRO HG2 1 1 1 36 1 1 2 PRO HG3 H 11.435 -4.967 4.895 1.00 . A A . 59 PRO HG3 1 1 1 37 1 1 2 PRO N N 9.791 -3.449 3.275 1.00 . A A . 59 PRO N 1 1 1 38 1 1 2 PRO O O 6.803 -3.845 4.961 1.00 . A A . 59 PRO O 1 1 1 39 1 1 3 TYR C C 4.789 -3.063 1.676 1.00 . A A . 60 TYR C 1 1 1 40 1 1 3 TYR CA C 5.642 -2.533 2.812 1.00 . A A . 60 TYR CA 1 1 1 41 1 1 3 TYR CB C 5.811 -1.015 2.701 1.00 . A A . 60 TYR CB 1 1 1 42 1 1 3 TYR CD1 C 7.559 -0.370 4.408 1.00 . A A . 60 TYR CD1 1 1 1 43 1 1 3 TYR CD2 C 5.294 0.254 4.817 1.00 . A A . 60 TYR CD2 1 1 1 44 1 1 3 TYR CE1 C 7.940 0.216 5.599 1.00 . A A . 60 TYR CE1 1 1 1 45 1 1 3 TYR CE2 C 5.668 0.845 6.008 1.00 . A A . 60 TYR CE2 1 1 1 46 1 1 3 TYR CG C 6.231 -0.364 4.000 1.00 . A A . 60 TYR CG 1 1 1 47 1 1 3 TYR CZ C 6.991 0.824 6.394 1.00 . A A . 60 TYR CZ 1 1 1 48 1 1 3 TYR H H 7.472 -3.187 1.995 1.00 . A A . 60 TYR H 1 1 1 49 1 1 3 TYR HA H 5.153 -2.764 3.749 1.00 . A A . 60 TYR HA 1 1 1 50 1 1 3 TYR HB2 H 6.569 -0.797 1.962 1.00 . A A . 60 TYR HB2 1 1 1 51 1 1 3 TYR HB3 H 4.875 -0.574 2.392 1.00 . A A . 60 TYR HB3 1 1 1 52 1 1 3 TYR HD1 H 8.300 -0.849 3.783 1.00 . A A . 60 TYR HD1 1 1 1 53 1 1 3 TYR HD2 H 4.258 0.268 4.511 1.00 . A A . 60 TYR HD2 1 1 1 54 1 1 3 TYR HE1 H 8.978 0.200 5.902 1.00 . A A . 60 TYR HE1 1 1 1 55 1 1 3 TYR HE2 H 4.927 1.321 6.630 1.00 . A A . 60 TYR HE2 1 1 1 56 1 1 3 TYR HH H 6.664 1.298 8.239 1.00 . A A . 60 TYR HH 1 1 1 57 1 1 3 TYR N N 6.934 -3.188 2.818 1.00 . A A . 60 TYR N 1 1 1 58 1 1 3 TYR O O 4.924 -2.637 0.526 1.00 . A A . 60 TYR O 1 1 1 59 1 1 3 TYR OH O 7.368 1.417 7.580 1.00 . A A . 60 TYR OH 1 1 1 60 1 1 4 VAL C C 1.615 -4.541 1.492 1.00 . A A . 61 VAL C 1 1 1 61 1 1 4 VAL CA C 3.059 -4.628 1.023 1.00 . A A . 61 VAL CA 1 1 1 62 1 1 4 VAL CB C 3.425 -6.108 0.777 1.00 . A A . 61 VAL CB 1 1 1 63 1 1 4 VAL CG1 C 2.636 -6.670 -0.387 1.00 . A A . 61 VAL CG1 1 1 1 64 1 1 4 VAL CG2 C 4.909 -6.257 0.520 1.00 . A A . 61 VAL CG2 1 1 1 65 1 1 4 VAL H H 3.887 -4.333 2.924 1.00 . A A . 61 VAL H 1 1 1 66 1 1 4 VAL HA H 3.163 -4.088 0.094 1.00 . A A . 61 VAL HA 1 1 1 67 1 1 4 VAL HB H 3.174 -6.674 1.661 1.00 . A A . 61 VAL HB 1 1 1 68 1 1 4 VAL HG11 H 1.581 -6.581 -0.181 1.00 . A A . 61 VAL HG11 1 1 1 69 1 1 4 VAL HG12 H 2.893 -7.709 -0.524 1.00 . A A . 61 VAL HG12 1 1 1 70 1 1 4 VAL HG13 H 2.878 -6.115 -1.282 1.00 . A A . 61 VAL HG13 1 1 1 71 1 1 4 VAL HG21 H 5.463 -5.884 1.368 1.00 . A A . 61 VAL HG21 1 1 1 72 1 1 4 VAL HG22 H 5.173 -5.693 -0.362 1.00 . A A . 61 VAL HG22 1 1 1 73 1 1 4 VAL HG23 H 5.142 -7.300 0.365 1.00 . A A . 61 VAL HG23 1 1 1 74 1 1 4 VAL N N 3.933 -4.022 1.999 1.00 . A A . 61 VAL N 1 1 1 75 1 1 4 VAL O O 1.329 -4.628 2.685 1.00 . A A . 61 VAL O 1 1 1 76 1 1 5 CYS C C -1.208 -5.666 1.232 1.00 . A A . 62 CYS C 1 1 1 77 1 1 5 CYS CA C -0.706 -4.298 0.822 1.00 . A A . 62 CYS CA 1 1 1 78 1 1 5 CYS CB C -1.459 -3.831 -0.420 1.00 . A A . 62 CYS CB 1 1 1 79 1 1 5 CYS H H 1.034 -4.236 -0.381 1.00 . A A . 62 CYS H 1 1 1 80 1 1 5 CYS HA H -0.874 -3.600 1.628 1.00 . A A . 62 CYS HA 1 1 1 81 1 1 5 CYS HB2 H -1.102 -2.863 -0.703 1.00 . A A . 62 CYS HB2 1 1 1 82 1 1 5 CYS HB3 H -1.263 -4.528 -1.219 1.00 . A A . 62 CYS HB3 1 1 1 83 1 1 5 CYS N N 0.720 -4.348 0.546 1.00 . A A . 62 CYS N 1 1 1 84 1 1 5 CYS O O -1.438 -6.522 0.383 1.00 . A A . 62 CYS O 1 1 1 85 1 1 5 CYS SG S -3.248 -3.694 -0.247 1.00 . A A . 62 CYS SG 1 1 1 86 1 1 6 GLU C C -3.290 -7.410 2.424 1.00 . A A . 63 GLU C 1 1 1 87 1 1 6 GLU CA C -1.927 -7.111 3.055 1.00 . A A . 63 GLU CA 1 1 1 88 1 1 6 GLU CB C -2.068 -7.009 4.578 1.00 . A A . 63 GLU CB 1 1 1 89 1 1 6 GLU CD C -1.346 -9.338 5.240 1.00 . A A . 63 GLU CD 1 1 1 90 1 1 6 GLU CG C -2.459 -8.314 5.258 1.00 . A A . 63 GLU CG 1 1 1 91 1 1 6 GLU H H -1.136 -5.152 3.159 1.00 . A A . 63 GLU H 1 1 1 92 1 1 6 GLU HA H -1.238 -7.906 2.809 1.00 . A A . 63 GLU HA 1 1 1 93 1 1 6 GLU HB2 H -1.127 -6.683 4.993 1.00 . A A . 63 GLU HB2 1 1 1 94 1 1 6 GLU HB3 H -2.824 -6.273 4.808 1.00 . A A . 63 GLU HB3 1 1 1 95 1 1 6 GLU HG2 H -2.717 -8.106 6.286 1.00 . A A . 63 GLU HG2 1 1 1 96 1 1 6 GLU HG3 H -3.318 -8.728 4.749 1.00 . A A . 63 GLU HG3 1 1 1 97 1 1 6 GLU N N -1.390 -5.862 2.531 1.00 . A A . 63 GLU N 1 1 1 98 1 1 6 GLU O O -3.718 -8.558 2.341 1.00 . A A . 63 GLU O 1 1 1 99 1 1 6 GLU OE1 O -0.458 -9.280 6.112 1.00 . A A . 63 GLU OE1 1 1 1 100 1 1 6 GLU OE2 O -1.354 -10.206 4.341 1.00 . A A . 63 GLU OE2 1 1 1 101 1 1 7 ARG C C -5.409 -6.920 0.012 1.00 . A A . 64 ARG C 1 1 1 102 1 1 7 ARG CA C -5.314 -6.475 1.477 1.00 . A A . 64 ARG CA 1 1 1 103 1 1 7 ARG CB C -6.040 -5.151 1.697 1.00 . A A . 64 ARG CB 1 1 1 104 1 1 7 ARG CD C -6.949 -3.591 3.465 1.00 . A A . 64 ARG CD 1 1 1 105 1 1 7 ARG CG C -5.940 -4.675 3.137 1.00 . A A . 64 ARG CG 1 1 1 106 1 1 7 ARG CZ C -7.583 -2.239 5.441 1.00 . A A . 64 ARG CZ 1 1 1 107 1 1 7 ARG H H -3.526 -5.486 1.952 1.00 . A A . 64 ARG H 1 1 1 108 1 1 7 ARG HA H -5.800 -7.226 2.082 1.00 . A A . 64 ARG HA 1 1 1 109 1 1 7 ARG HB2 H -5.609 -4.399 1.052 1.00 . A A . 64 ARG HB2 1 1 1 110 1 1 7 ARG HB3 H -7.078 -5.278 1.449 1.00 . A A . 64 ARG HB3 1 1 1 111 1 1 7 ARG HD2 H -6.794 -2.753 2.797 1.00 . A A . 64 ARG HD2 1 1 1 112 1 1 7 ARG HD3 H -7.946 -3.989 3.328 1.00 . A A . 64 ARG HD3 1 1 1 113 1 1 7 ARG HE H -6.051 -3.529 5.366 1.00 . A A . 64 ARG HE 1 1 1 114 1 1 7 ARG HG2 H -6.106 -5.513 3.792 1.00 . A A . 64 ARG HG2 1 1 1 115 1 1 7 ARG HG3 H -4.946 -4.286 3.303 1.00 . A A . 64 ARG HG3 1 1 1 116 1 1 7 ARG HH11 H -8.845 -2.006 3.872 1.00 . A A . 64 ARG HH11 1 1 1 117 1 1 7 ARG HH12 H -9.218 -1.053 5.267 1.00 . A A . 64 ARG HH12 1 1 1 118 1 1 7 ARG HH21 H -6.553 -2.278 7.183 1.00 . A A . 64 ARG HH21 1 1 1 119 1 1 7 ARG HH22 H -7.898 -1.180 7.143 1.00 . A A . 64 ARG HH22 1 1 1 120 1 1 7 ARG N N -3.955 -6.361 1.955 1.00 . A A . 64 ARG N 1 1 1 121 1 1 7 ARG NE N -6.799 -3.138 4.846 1.00 . A A . 64 ARG NE 1 1 1 122 1 1 7 ARG NH1 N -8.630 -1.724 4.808 1.00 . A A . 64 ARG NH1 1 1 1 123 1 1 7 ARG NH2 N -7.327 -1.875 6.689 1.00 . A A . 64 ARG NH2 1 1 1 124 1 1 7 ARG O O -6.421 -7.509 -0.368 1.00 . A A . 64 ARG O 1 1 1 125 1 1 8 CYS C C -3.151 -7.709 -2.741 1.00 . A A . 65 CYS C 1 1 1 126 1 1 8 CYS CA C -4.488 -7.179 -2.203 1.00 . A A . 65 CYS CA 1 1 1 127 1 1 8 CYS CB C -5.089 -6.148 -3.165 1.00 . A A . 65 CYS CB 1 1 1 128 1 1 8 CYS H H -3.635 -6.089 -0.550 1.00 . A A . 65 CYS H 1 1 1 129 1 1 8 CYS HA H -5.169 -8.017 -2.160 1.00 . A A . 65 CYS HA 1 1 1 130 1 1 8 CYS HB2 H -5.424 -6.656 -4.059 1.00 . A A . 65 CYS HB2 1 1 1 131 1 1 8 CYS HB3 H -5.936 -5.673 -2.686 1.00 . A A . 65 CYS HB3 1 1 1 132 1 1 8 CYS N N -4.404 -6.649 -0.833 1.00 . A A . 65 CYS N 1 1 1 133 1 1 8 CYS O O -3.102 -8.253 -3.845 1.00 . A A . 65 CYS O 1 1 1 134 1 1 8 CYS SG S -3.961 -4.847 -3.685 1.00 . A A . 65 CYS SG 1 1 1 135 1 1 9 GLY C C 0.080 -7.269 -3.221 1.00 . A A . 66 GLY C 1 1 1 136 1 1 9 GLY CA C -0.808 -8.167 -2.371 1.00 . A A . 66 GLY CA 1 1 1 137 1 1 9 GLY H H -2.137 -7.063 -1.136 1.00 . A A . 66 GLY H 1 1 1 138 1 1 9 GLY HA2 H -0.262 -8.430 -1.474 1.00 . A A . 66 GLY HA2 1 1 1 139 1 1 9 GLY HA3 H -1.018 -9.072 -2.929 1.00 . A A . 66 GLY HA3 1 1 1 140 1 1 9 GLY N N -2.075 -7.563 -1.978 1.00 . A A . 66 GLY N 1 1 1 141 1 1 9 GLY O O 1.053 -7.741 -3.811 1.00 . A A . 66 GLY O 1 1 1 142 1 1 10 LYS C C 1.483 -4.251 -3.076 1.00 . A A . 67 LYS C 1 1 1 143 1 1 10 LYS CA C 0.606 -5.043 -4.031 1.00 . A A . 67 LYS CA 1 1 1 144 1 1 10 LYS CB C -0.222 -4.089 -4.885 1.00 . A A . 67 LYS CB 1 1 1 145 1 1 10 LYS CD C -0.097 -5.736 -6.768 1.00 . A A . 67 LYS CD 1 1 1 146 1 1 10 LYS CE C -0.861 -6.428 -7.884 1.00 . A A . 67 LYS CE 1 1 1 147 1 1 10 LYS CG C -0.987 -4.783 -5.992 1.00 . A A . 67 LYS CG 1 1 1 148 1 1 10 LYS H H -1.072 -5.671 -2.901 1.00 . A A . 67 LYS H 1 1 1 149 1 1 10 LYS HA H 1.247 -5.620 -4.680 1.00 . A A . 67 LYS HA 1 1 1 150 1 1 10 LYS HB2 H -0.930 -3.578 -4.250 1.00 . A A . 67 LYS HB2 1 1 1 151 1 1 10 LYS HB3 H 0.439 -3.361 -5.334 1.00 . A A . 67 LYS HB3 1 1 1 152 1 1 10 LYS HD2 H 0.723 -5.181 -7.198 1.00 . A A . 67 LYS HD2 1 1 1 153 1 1 10 LYS HD3 H 0.288 -6.485 -6.088 1.00 . A A . 67 LYS HD3 1 1 1 154 1 1 10 LYS HE2 H -1.730 -6.911 -7.462 1.00 . A A . 67 LYS HE2 1 1 1 155 1 1 10 LYS HE3 H -1.177 -5.684 -8.603 1.00 . A A . 67 LYS HE3 1 1 1 156 1 1 10 LYS HG2 H -1.799 -5.342 -5.556 1.00 . A A . 67 LYS HG2 1 1 1 157 1 1 10 LYS HG3 H -1.372 -4.035 -6.665 1.00 . A A . 67 LYS HG3 1 1 1 158 1 1 10 LYS HZ1 H -0.565 -7.883 -9.350 1.00 . A A . 67 LYS HZ1 1 1 1 159 1 1 10 LYS HZ2 H 0.256 -8.191 -7.902 1.00 . A A . 67 LYS HZ2 1 1 1 160 1 1 10 LYS HZ3 H 0.832 -7.005 -8.965 1.00 . A A . 67 LYS HZ3 1 1 1 161 1 1 10 LYS N N -0.245 -5.986 -3.308 1.00 . A A . 67 LYS N 1 1 1 162 1 1 10 LYS NZ N -0.028 -7.446 -8.572 1.00 . A A . 67 LYS NZ 1 1 1 163 1 1 10 LYS O O 1.028 -3.805 -2.030 1.00 . A A . 67 LYS O 1 1 1 164 1 1 11 ARG C C 4.167 -2.080 -3.199 1.00 . A A . 68 ARG C 1 1 1 165 1 1 11 ARG CA C 3.699 -3.401 -2.595 1.00 . A A . 68 ARG CA 1 1 1 166 1 1 11 ARG CB C 4.889 -4.315 -2.332 1.00 . A A . 68 ARG CB 1 1 1 167 1 1 11 ARG CD C 6.769 -5.675 -3.267 1.00 . A A . 68 ARG CD 1 1 1 168 1 1 11 ARG CG C 5.523 -4.867 -3.584 1.00 . A A . 68 ARG CG 1 1 1 169 1 1 11 ARG CZ C 8.290 -7.236 -4.434 1.00 . A A . 68 ARG CZ 1 1 1 170 1 1 11 ARG H H 3.024 -4.417 -4.317 1.00 . A A . 68 ARG H 1 1 1 171 1 1 11 ARG HA H 3.217 -3.195 -1.658 1.00 . A A . 68 ARG HA 1 1 1 172 1 1 11 ARG HB2 H 5.635 -3.756 -1.806 1.00 . A A . 68 ARG HB2 1 1 1 173 1 1 11 ARG HB3 H 4.562 -5.146 -1.720 1.00 . A A . 68 ARG HB3 1 1 1 174 1 1 11 ARG HD2 H 7.519 -5.013 -2.861 1.00 . A A . 68 ARG HD2 1 1 1 175 1 1 11 ARG HD3 H 6.520 -6.427 -2.532 1.00 . A A . 68 ARG HD3 1 1 1 176 1 1 11 ARG HE H 6.907 -6.098 -5.322 1.00 . A A . 68 ARG HE 1 1 1 177 1 1 11 ARG HG2 H 4.809 -5.504 -4.082 1.00 . A A . 68 ARG HG2 1 1 1 178 1 1 11 ARG HG3 H 5.784 -4.039 -4.222 1.00 . A A . 68 ARG HG3 1 1 1 179 1 1 11 ARG HH11 H 8.562 -7.151 -2.428 1.00 . A A . 68 ARG HH11 1 1 1 180 1 1 11 ARG HH12 H 9.603 -8.257 -3.271 1.00 . A A . 68 ARG HH12 1 1 1 181 1 1 11 ARG HH21 H 8.261 -7.548 -6.440 1.00 . A A . 68 ARG HH21 1 1 1 182 1 1 11 ARG HH22 H 9.438 -8.482 -5.559 1.00 . A A . 68 ARG HH22 1 1 1 183 1 1 11 ARG N N 2.735 -4.077 -3.446 1.00 . A A . 68 ARG N 1 1 1 184 1 1 11 ARG NE N 7.310 -6.334 -4.456 1.00 . A A . 68 ARG NE 1 1 1 185 1 1 11 ARG NH1 N 8.864 -7.571 -3.287 1.00 . A A . 68 ARG NH1 1 1 1 186 1 1 11 ARG NH2 N 8.697 -7.800 -5.566 1.00 . A A . 68 ARG NH2 1 1 1 187 1 1 11 ARG O O 3.920 -1.796 -4.372 1.00 . A A . 68 ARG O 1 1 1 188 1 1 12 PHE C C 6.671 0.332 -2.198 1.00 . A A . 69 PHE C 1 1 1 189 1 1 12 PHE CA C 5.308 0.038 -2.775 1.00 . A A . 69 PHE CA 1 1 1 190 1 1 12 PHE CB C 4.329 1.115 -2.321 1.00 . A A . 69 PHE CB 1 1 1 191 1 1 12 PHE CD1 C 3.505 2.242 -4.402 1.00 . A A . 69 PHE CD1 1 1 1 192 1 1 12 PHE CD2 C 2.000 0.835 -3.204 1.00 . A A . 69 PHE CD2 1 1 1 193 1 1 12 PHE CE1 C 2.520 2.510 -5.333 1.00 . A A . 69 PHE CE1 1 1 1 194 1 1 12 PHE CE2 C 1.014 1.101 -4.133 1.00 . A A . 69 PHE CE2 1 1 1 195 1 1 12 PHE CG C 3.254 1.404 -3.327 1.00 . A A . 69 PHE CG 1 1 1 196 1 1 12 PHE CZ C 1.275 1.936 -5.200 1.00 . A A . 69 PHE CZ 1 1 1 197 1 1 12 PHE H H 5.062 -1.597 -1.485 1.00 . A A . 69 PHE H 1 1 1 198 1 1 12 PHE HA H 5.381 0.068 -3.849 1.00 . A A . 69 PHE HA 1 1 1 199 1 1 12 PHE HB2 H 3.853 0.789 -1.407 1.00 . A A . 69 PHE HB2 1 1 1 200 1 1 12 PHE HB3 H 4.872 2.031 -2.134 1.00 . A A . 69 PHE HB3 1 1 1 201 1 1 12 PHE HD1 H 4.481 2.691 -4.508 1.00 . A A . 69 PHE HD1 1 1 1 202 1 1 12 PHE HD2 H 1.793 0.179 -2.367 1.00 . A A . 69 PHE HD2 1 1 1 203 1 1 12 PHE HE1 H 2.728 3.164 -6.166 1.00 . A A . 69 PHE HE1 1 1 1 204 1 1 12 PHE HE2 H 0.038 0.652 -4.026 1.00 . A A . 69 PHE HE2 1 1 1 205 1 1 12 PHE HZ H 0.502 2.144 -5.926 1.00 . A A . 69 PHE HZ 1 1 1 206 1 1 12 PHE N N 4.849 -1.282 -2.383 1.00 . A A . 69 PHE N 1 1 1 207 1 1 12 PHE O O 7.030 -0.124 -1.112 1.00 . A A . 69 PHE O 1 1 1 208 1 1 13 VAL C C 8.602 2.602 -1.473 1.00 . A A . 70 VAL C 1 1 1 209 1 1 13 VAL CA C 8.715 1.572 -2.591 1.00 . A A . 70 VAL CA 1 1 1 210 1 1 13 VAL CB C 9.385 2.199 -3.828 1.00 . A A . 70 VAL CB 1 1 1 211 1 1 13 VAL CG1 C 10.663 2.897 -3.452 1.00 . A A . 70 VAL CG1 1 1 1 212 1 1 13 VAL CG2 C 9.640 1.146 -4.897 1.00 . A A . 70 VAL CG2 1 1 1 213 1 1 13 VAL H H 7.074 1.353 -3.833 1.00 . A A . 70 VAL H 1 1 1 214 1 1 13 VAL HA H 9.310 0.734 -2.260 1.00 . A A . 70 VAL HA 1 1 1 215 1 1 13 VAL HB H 8.709 2.934 -4.239 1.00 . A A . 70 VAL HB 1 1 1 216 1 1 13 VAL HG11 H 11.134 3.281 -4.341 1.00 . A A . 70 VAL HG11 1 1 1 217 1 1 13 VAL HG12 H 11.319 2.196 -2.963 1.00 . A A . 70 VAL HG12 1 1 1 218 1 1 13 VAL HG13 H 10.434 3.710 -2.782 1.00 . A A . 70 VAL HG13 1 1 1 219 1 1 13 VAL HG21 H 8.701 0.701 -5.196 1.00 . A A . 70 VAL HG21 1 1 1 220 1 1 13 VAL HG22 H 10.290 0.380 -4.500 1.00 . A A . 70 VAL HG22 1 1 1 221 1 1 13 VAL HG23 H 10.108 1.608 -5.752 1.00 . A A . 70 VAL HG23 1 1 1 222 1 1 13 VAL N N 7.415 1.097 -2.965 1.00 . A A . 70 VAL N 1 1 1 223 1 1 13 VAL O O 9.481 2.712 -0.620 1.00 . A A . 70 VAL O 1 1 1 224 1 1 14 GLN C C 6.247 3.916 0.499 1.00 . A A . 71 GLN C 1 1 1 225 1 1 14 GLN CA C 7.290 4.374 -0.509 1.00 . A A . 71 GLN CA 1 1 1 226 1 1 14 GLN CB C 6.801 5.597 -1.251 1.00 . A A . 71 GLN CB 1 1 1 227 1 1 14 GLN CD C 8.727 7.107 -1.938 1.00 . A A . 71 GLN CD 1 1 1 228 1 1 14 GLN CG C 7.737 6.035 -2.364 1.00 . A A . 71 GLN CG 1 1 1 229 1 1 14 GLN H H 6.834 3.244 -2.176 1.00 . A A . 71 GLN H 1 1 1 230 1 1 14 GLN HA H 8.219 4.596 -0.009 1.00 . A A . 71 GLN HA 1 1 1 231 1 1 14 GLN HB2 H 5.837 5.378 -1.688 1.00 . A A . 71 GLN HB2 1 1 1 232 1 1 14 GLN HB3 H 6.700 6.396 -0.558 1.00 . A A . 71 GLN HB3 1 1 1 233 1 1 14 GLN HE21 H 8.722 6.440 -0.062 1.00 . A A . 71 GLN HE21 1 1 1 234 1 1 14 GLN HE22 H 9.739 7.808 -0.376 1.00 . A A . 71 GLN HE22 1 1 1 235 1 1 14 GLN HG2 H 8.295 5.174 -2.698 1.00 . A A . 71 GLN HG2 1 1 1 236 1 1 14 GLN HG3 H 7.144 6.410 -3.182 1.00 . A A . 71 GLN HG3 1 1 1 237 1 1 14 GLN N N 7.510 3.357 -1.482 1.00 . A A . 71 GLN N 1 1 1 238 1 1 14 GLN NE2 N 9.099 7.118 -0.669 1.00 . A A . 71 GLN NE2 1 1 1 239 1 1 14 GLN O O 5.155 3.479 0.123 1.00 . A A . 71 GLN O 1 1 1 240 1 1 14 GLN OE1 O 9.151 7.928 -2.751 1.00 . A A . 71 GLN OE1 1 1 1 241 1 1 15 SER C C 4.431 4.530 2.787 1.00 . A A . 72 SER C 1 1 1 242 1 1 15 SER CA C 5.685 3.670 2.854 1.00 . A A . 72 SER CA 1 1 1 243 1 1 15 SER CB C 6.393 3.863 4.193 1.00 . A A . 72 SER CB 1 1 1 244 1 1 15 SER H H 7.484 4.371 1.998 1.00 . A A . 72 SER H 1 1 1 245 1 1 15 SER HA H 5.411 2.632 2.738 1.00 . A A . 72 SER HA 1 1 1 246 1 1 15 SER HB2 H 6.513 4.918 4.389 1.00 . A A . 72 SER HB2 1 1 1 247 1 1 15 SER HB3 H 5.803 3.415 4.981 1.00 . A A . 72 SER HB3 1 1 1 248 1 1 15 SER HG H 8.124 3.428 5.016 1.00 . A A . 72 SER HG 1 1 1 249 1 1 15 SER N N 6.586 4.032 1.774 1.00 . A A . 72 SER N 1 1 1 250 1 1 15 SER O O 3.318 4.060 3.037 1.00 . A A . 72 SER O 1 1 1 251 1 1 15 SER OG O 7.674 3.252 4.176 1.00 . A A . 72 SER OG 1 1 1 252 1 1 16 SER C C 2.581 6.247 1.152 1.00 . A A . 73 SER C 1 1 1 253 1 1 16 SER CA C 3.537 6.728 2.244 1.00 . A A . 73 SER CA 1 1 1 254 1 1 16 SER CB C 4.100 8.109 1.892 1.00 . A A . 73 SER CB 1 1 1 255 1 1 16 SER H H 5.549 6.101 2.276 1.00 . A A . 73 SER H 1 1 1 256 1 1 16 SER HA H 3.000 6.793 3.178 1.00 . A A . 73 SER HA 1 1 1 257 1 1 16 SER HB2 H 4.701 8.468 2.713 1.00 . A A . 73 SER HB2 1 1 1 258 1 1 16 SER HB3 H 4.714 8.026 1.009 1.00 . A A . 73 SER HB3 1 1 1 259 1 1 16 SER HG H 2.664 8.854 0.790 1.00 . A A . 73 SER HG 1 1 1 260 1 1 16 SER N N 4.629 5.789 2.421 1.00 . A A . 73 SER N 1 1 1 261 1 1 16 SER O O 1.363 6.302 1.316 1.00 . A A . 73 SER O 1 1 1 262 1 1 16 SER OG O 3.067 9.047 1.643 1.00 . A A . 73 SER OG 1 1 1 263 1 1 17 GLN C C 1.629 4.049 -0.815 1.00 . A A . 74 GLN C 1 1 1 264 1 1 17 GLN CA C 2.345 5.352 -1.096 1.00 . A A . 74 GLN CA 1 1 1 265 1 1 17 GLN CB C 3.226 5.206 -2.342 1.00 . A A . 74 GLN CB 1 1 1 266 1 1 17 GLN CD C 4.122 7.614 -2.524 1.00 . A A . 74 GLN CD 1 1 1 267 1 1 17 GLN CG C 3.369 6.469 -3.194 1.00 . A A . 74 GLN CG 1 1 1 268 1 1 17 GLN H H 4.098 5.575 0.041 1.00 . A A . 74 GLN H 1 1 1 269 1 1 17 GLN HA H 1.610 6.124 -1.269 1.00 . A A . 74 GLN HA 1 1 1 270 1 1 17 GLN HB2 H 4.212 4.902 -2.028 1.00 . A A . 74 GLN HB2 1 1 1 271 1 1 17 GLN HB3 H 2.804 4.427 -2.968 1.00 . A A . 74 GLN HB3 1 1 1 272 1 1 17 GLN HE21 H 4.828 8.200 -4.291 1.00 . A A . 74 GLN HE21 1 1 1 273 1 1 17 GLN HE22 H 5.325 9.139 -2.923 1.00 . A A . 74 GLN HE22 1 1 1 274 1 1 17 GLN HG2 H 3.899 6.209 -4.097 1.00 . A A . 74 GLN HG2 1 1 1 275 1 1 17 GLN HG3 H 2.380 6.817 -3.455 1.00 . A A . 74 GLN HG3 1 1 1 276 1 1 17 GLN N N 3.136 5.733 0.059 1.00 . A A . 74 GLN N 1 1 1 277 1 1 17 GLN NE2 N 4.827 8.397 -3.322 1.00 . A A . 74 GLN NE2 1 1 1 278 1 1 17 GLN O O 0.536 3.816 -1.313 1.00 . A A . 74 GLN O 1 1 1 279 1 1 17 GLN OE1 O 4.078 7.796 -1.311 1.00 . A A . 74 GLN OE1 1 1 1 280 1 1 18 LEU C C 0.475 2.230 1.315 1.00 . A A . 75 LEU C 1 1 1 281 1 1 18 LEU CA C 1.658 1.953 0.394 1.00 . A A . 75 LEU CA 1 1 1 282 1 1 18 LEU CB C 2.717 1.072 1.083 1.00 . A A . 75 LEU CB 1 1 1 283 1 1 18 LEU CD1 C 1.205 -0.739 1.924 1.00 . A A . 75 LEU CD1 1 1 1 284 1 1 18 LEU CD2 C 2.270 -0.975 -0.297 1.00 . A A . 75 LEU CD2 1 1 1 285 1 1 18 LEU CG C 2.435 -0.435 1.109 1.00 . A A . 75 LEU CG 1 1 1 286 1 1 18 LEU H H 3.138 3.446 0.347 1.00 . A A . 75 LEU H 1 1 1 287 1 1 18 LEU HA H 1.298 1.461 -0.497 1.00 . A A . 75 LEU HA 1 1 1 288 1 1 18 LEU HB2 H 3.661 1.225 0.575 1.00 . A A . 75 LEU HB2 1 1 1 289 1 1 18 LEU HB3 H 2.818 1.411 2.107 1.00 . A A . 75 LEU HB3 1 1 1 290 1 1 18 LEU HD11 H 0.356 -0.240 1.474 1.00 . A A . 75 LEU HD11 1 1 1 291 1 1 18 LEU HD12 H 1.345 -0.377 2.931 1.00 . A A . 75 LEU HD12 1 1 1 292 1 1 18 LEU HD13 H 1.031 -1.804 1.939 1.00 . A A . 75 LEU HD13 1 1 1 293 1 1 18 LEU HD21 H 3.184 -0.818 -0.850 1.00 . A A . 75 LEU HD21 1 1 1 294 1 1 18 LEU HD22 H 1.458 -0.456 -0.788 1.00 . A A . 75 LEU HD22 1 1 1 295 1 1 18 LEU HD23 H 2.050 -2.030 -0.254 1.00 . A A . 75 LEU HD23 1 1 1 296 1 1 18 LEU HG H 3.271 -0.945 1.565 1.00 . A A . 75 LEU HG 1 1 1 297 1 1 18 LEU N N 2.252 3.213 0.003 1.00 . A A . 75 LEU N 1 1 1 298 1 1 18 LEU O O -0.586 1.618 1.186 1.00 . A A . 75 LEU O 1 1 1 299 1 1 19 ALA C C -1.501 4.289 2.284 1.00 . A A . 76 ALA C 1 1 1 300 1 1 19 ALA CA C -0.441 3.579 3.095 1.00 . A A . 76 ALA CA 1 1 1 301 1 1 19 ALA CB C 0.059 4.464 4.227 1.00 . A A . 76 ALA CB 1 1 1 302 1 1 19 ALA H H 1.531 3.595 2.326 1.00 . A A . 76 ALA H 1 1 1 303 1 1 19 ALA HA H -0.885 2.686 3.523 1.00 . A A . 76 ALA HA 1 1 1 304 1 1 19 ALA HB1 H -0.760 4.691 4.894 1.00 . A A . 76 ALA HB1 1 1 1 305 1 1 19 ALA HB2 H 0.454 5.384 3.817 1.00 . A A . 76 ALA HB2 1 1 1 306 1 1 19 ALA HB3 H 0.836 3.948 4.770 1.00 . A A . 76 ALA HB3 1 1 1 307 1 1 19 ALA N N 0.650 3.171 2.229 1.00 . A A . 76 ALA N 1 1 1 308 1 1 19 ALA O O -2.688 4.108 2.527 1.00 . A A . 76 ALA O 1 1 1 309 1 1 20 ASN C C -2.794 4.631 -0.365 1.00 . A A . 77 ASN C 1 1 1 310 1 1 20 ASN CA C -2.013 5.710 0.383 1.00 . A A . 77 ASN CA 1 1 1 311 1 1 20 ASN CB C -1.265 6.616 -0.602 1.00 . A A . 77 ASN CB 1 1 1 312 1 1 20 ASN CG C -2.187 7.320 -1.579 1.00 . A A . 77 ASN CG 1 1 1 313 1 1 20 ASN H H -0.094 5.229 1.185 1.00 . A A . 77 ASN H 1 1 1 314 1 1 20 ASN HA H -2.699 6.306 0.968 1.00 . A A . 77 ASN HA 1 1 1 315 1 1 20 ASN HB2 H -0.721 7.367 -0.047 1.00 . A A . 77 ASN HB2 1 1 1 316 1 1 20 ASN HB3 H -0.563 6.019 -1.166 1.00 . A A . 77 ASN HB3 1 1 1 317 1 1 20 ASN HD21 H -0.723 7.397 -2.927 1.00 . A A . 77 ASN HD21 1 1 1 318 1 1 20 ASN HD22 H -2.242 8.101 -3.407 1.00 . A A . 77 ASN HD22 1 1 1 319 1 1 20 ASN N N -1.071 5.074 1.300 1.00 . A A . 77 ASN N 1 1 1 320 1 1 20 ASN ND2 N -1.667 7.635 -2.756 1.00 . A A . 77 ASN ND2 1 1 1 321 1 1 20 ASN O O -4.012 4.718 -0.538 1.00 . A A . 77 ASN O 1 1 1 322 1 1 20 ASN OD1 O -3.347 7.588 -1.280 1.00 . A A . 77 ASN OD1 1 1 1 323 1 1 21 HIS C C -3.722 1.788 -0.592 1.00 . A A . 78 HIS C 1 1 1 324 1 1 21 HIS CA C -2.632 2.441 -1.441 1.00 . A A . 78 HIS CA 1 1 1 325 1 1 21 HIS CB C -1.497 1.449 -1.712 1.00 . A A . 78 HIS CB 1 1 1 326 1 1 21 HIS CD2 C -2.292 -0.991 -1.904 1.00 . A A . 78 HIS CD2 1 1 1 327 1 1 21 HIS CE1 C -2.264 -1.199 -4.056 1.00 . A A . 78 HIS CE1 1 1 1 328 1 1 21 HIS CG C -1.907 0.200 -2.412 1.00 . A A . 78 HIS CG 1 1 1 329 1 1 21 HIS H H -1.097 3.611 -0.603 1.00 . A A . 78 HIS H 1 1 1 330 1 1 21 HIS HA H -3.054 2.765 -2.380 1.00 . A A . 78 HIS HA 1 1 1 331 1 1 21 HIS HB2 H -0.748 1.933 -2.320 1.00 . A A . 78 HIS HB2 1 1 1 332 1 1 21 HIS HB3 H -1.052 1.167 -0.765 1.00 . A A . 78 HIS HB3 1 1 1 333 1 1 21 HIS HD1 H -1.679 0.750 -4.435 1.00 . A A . 78 HIS HD1 1 1 1 334 1 1 21 HIS HD2 H -2.417 -1.222 -0.854 1.00 . A A . 78 HIS HD2 1 1 1 335 1 1 21 HIS HE1 H -2.346 -1.603 -5.052 1.00 . A A . 78 HIS HE1 1 1 1 336 1 1 21 HIS N N -2.070 3.597 -0.767 1.00 . A A . 78 HIS N 1 1 1 337 1 1 21 HIS ND1 N -1.898 0.051 -3.777 1.00 . A A . 78 HIS ND1 1 1 1 338 1 1 21 HIS NE2 N -2.517 -1.881 -2.947 1.00 . A A . 78 HIS NE2 1 1 1 339 1 1 21 HIS O O -4.852 1.591 -1.045 1.00 . A A . 78 HIS O 1 1 1 340 1 1 22 ILE C C -5.374 1.700 2.094 1.00 . A A . 79 ILE C 1 1 1 341 1 1 22 ILE CA C -4.291 0.770 1.536 1.00 . A A . 79 ILE CA 1 1 1 342 1 1 22 ILE CB C -3.501 0.074 2.654 1.00 . A A . 79 ILE CB 1 1 1 343 1 1 22 ILE CD1 C -1.777 -1.764 2.992 1.00 . A A . 79 ILE CD1 1 1 1 344 1 1 22 ILE CG1 C -2.630 -1.003 2.017 1.00 . A A . 79 ILE CG1 1 1 1 345 1 1 22 ILE CG2 C -4.423 -0.527 3.698 1.00 . A A . 79 ILE CG2 1 1 1 346 1 1 22 ILE H H -2.482 1.703 0.975 1.00 . A A . 79 ILE H 1 1 1 347 1 1 22 ILE HA H -4.776 -0.005 0.955 1.00 . A A . 79 ILE HA 1 1 1 348 1 1 22 ILE HB H -2.867 0.804 3.134 1.00 . A A . 79 ILE HB 1 1 1 349 1 1 22 ILE HD11 H -1.083 -1.084 3.463 1.00 . A A . 79 ILE HD11 1 1 1 350 1 1 22 ILE HD12 H -1.232 -2.536 2.460 1.00 . A A . 79 ILE HD12 1 1 1 351 1 1 22 ILE HD13 H -2.408 -2.217 3.742 1.00 . A A . 79 ILE HD13 1 1 1 352 1 1 22 ILE HG12 H -3.268 -1.718 1.513 1.00 . A A . 79 ILE HG12 1 1 1 353 1 1 22 ILE HG13 H -1.972 -0.539 1.292 1.00 . A A . 79 ILE HG13 1 1 1 354 1 1 22 ILE HG21 H -5.031 0.252 4.128 1.00 . A A . 79 ILE HG21 1 1 1 355 1 1 22 ILE HG22 H -3.834 -0.994 4.470 1.00 . A A . 79 ILE HG22 1 1 1 356 1 1 22 ILE HG23 H -5.060 -1.265 3.232 1.00 . A A . 79 ILE HG23 1 1 1 357 1 1 22 ILE N N -3.382 1.469 0.647 1.00 . A A . 79 ILE N 1 1 1 358 1 1 22 ILE O O -6.444 1.239 2.493 1.00 . A A . 79 ILE O 1 1 1 359 1 1 23 ARG C C -7.317 3.832 1.418 1.00 . A A . 80 ARG C 1 1 1 360 1 1 23 ARG CA C -6.147 3.979 2.393 1.00 . A A . 80 ARG CA 1 1 1 361 1 1 23 ARG CB C -5.548 5.370 2.301 1.00 . A A . 80 ARG CB 1 1 1 362 1 1 23 ARG CD C -5.811 6.866 4.302 1.00 . A A . 80 ARG CD 1 1 1 363 1 1 23 ARG CG C -4.924 5.858 3.595 1.00 . A A . 80 ARG CG 1 1 1 364 1 1 23 ARG CZ C -8.063 7.023 5.314 1.00 . A A . 80 ARG CZ 1 1 1 365 1 1 23 ARG H H -4.193 3.330 1.974 1.00 . A A . 80 ARG H 1 1 1 366 1 1 23 ARG HA H -6.502 3.812 3.399 1.00 . A A . 80 ARG HA 1 1 1 367 1 1 23 ARG HB2 H -4.782 5.366 1.539 1.00 . A A . 80 ARG HB2 1 1 1 368 1 1 23 ARG HB3 H -6.314 6.050 2.013 1.00 . A A . 80 ARG HB3 1 1 1 369 1 1 23 ARG HD2 H -5.283 7.244 5.161 1.00 . A A . 80 ARG HD2 1 1 1 370 1 1 23 ARG HD3 H -6.006 7.678 3.617 1.00 . A A . 80 ARG HD3 1 1 1 371 1 1 23 ARG HE H -7.230 5.340 4.605 1.00 . A A . 80 ARG HE 1 1 1 372 1 1 23 ARG HG2 H -4.768 5.013 4.247 1.00 . A A . 80 ARG HG2 1 1 1 373 1 1 23 ARG HG3 H -3.974 6.323 3.373 1.00 . A A . 80 ARG HG3 1 1 1 374 1 1 23 ARG HH11 H -7.047 8.780 5.221 1.00 . A A . 80 ARG HH11 1 1 1 375 1 1 23 ARG HH12 H -8.623 8.869 5.951 1.00 . A A . 80 ARG HH12 1 1 1 376 1 1 23 ARG HH21 H -9.347 5.464 5.552 1.00 . A A . 80 ARG HH21 1 1 1 377 1 1 23 ARG HH22 H -9.930 6.998 6.112 1.00 . A A . 80 ARG HH22 1 1 1 378 1 1 23 ARG N N -5.113 3.005 2.111 1.00 . A A . 80 ARG N 1 1 1 379 1 1 23 ARG NE N -7.091 6.301 4.741 1.00 . A A . 80 ARG NE 1 1 1 380 1 1 23 ARG NH1 N -7.898 8.327 5.506 1.00 . A A . 80 ARG NH1 1 1 1 381 1 1 23 ARG NH2 N -9.202 6.447 5.689 1.00 . A A . 80 ARG NH2 1 1 1 382 1 1 23 ARG O O -8.461 4.119 1.758 1.00 . A A . 80 ARG O 1 1 1 383 1 1 24 HIS C C -8.743 1.778 -0.586 1.00 . A A . 81 HIS C 1 1 1 384 1 1 24 HIS CA C -8.050 3.123 -0.799 1.00 . A A . 81 HIS CA 1 1 1 385 1 1 24 HIS CB C -7.447 3.185 -2.205 1.00 . A A . 81 HIS CB 1 1 1 386 1 1 24 HIS CD2 C -7.826 5.428 -3.438 1.00 . A A . 81 HIS CD2 1 1 1 387 1 1 24 HIS CE1 C -5.958 6.424 -2.895 1.00 . A A . 81 HIS CE1 1 1 1 388 1 1 24 HIS CG C -7.125 4.574 -2.660 1.00 . A A . 81 HIS CG 1 1 1 389 1 1 24 HIS H H -6.088 3.148 -0.002 1.00 . A A . 81 HIS H 1 1 1 390 1 1 24 HIS HA H -8.786 3.908 -0.702 1.00 . A A . 81 HIS HA 1 1 1 391 1 1 24 HIS HB2 H -6.531 2.610 -2.223 1.00 . A A . 81 HIS HB2 1 1 1 392 1 1 24 HIS HB3 H -8.147 2.757 -2.908 1.00 . A A . 81 HIS HB3 1 1 1 393 1 1 24 HIS HD1 H -5.237 4.880 -1.762 1.00 . A A . 81 HIS HD1 1 1 1 394 1 1 24 HIS HD2 H -8.798 5.244 -3.873 1.00 . A A . 81 HIS HD2 1 1 1 395 1 1 24 HIS HE1 H -5.171 7.157 -2.814 1.00 . A A . 81 HIS HE1 1 1 1 396 1 1 24 HIS HE2 H -7.211 7.239 -4.289 1.00 . A A . 81 HIS HE2 1 1 1 397 1 1 24 HIS N N -7.022 3.351 0.213 1.00 . A A . 81 HIS N 1 1 1 398 1 1 24 HIS ND1 N -5.959 5.230 -2.336 1.00 . A A . 81 HIS ND1 1 1 1 399 1 1 24 HIS NE2 N -7.080 6.569 -3.573 1.00 . A A . 81 HIS NE2 1 1 1 400 1 1 24 HIS O O -9.656 1.411 -1.326 1.00 . A A . 81 HIS O 1 1 1 401 1 1 25 HIS C C -9.726 -0.025 2.077 1.00 . A A . 82 HIS C 1 1 1 402 1 1 25 HIS CA C -8.926 -0.215 0.802 1.00 . A A . 82 HIS CA 1 1 1 403 1 1 25 HIS CB C -7.884 -1.306 1.048 1.00 . A A . 82 HIS CB 1 1 1 404 1 1 25 HIS CD2 C -6.268 -1.549 -0.944 1.00 . A A . 82 HIS CD2 1 1 1 405 1 1 25 HIS CE1 C -6.951 -3.434 -1.744 1.00 . A A . 82 HIS CE1 1 1 1 406 1 1 25 HIS CG C -7.313 -1.934 -0.184 1.00 . A A . 82 HIS CG 1 1 1 407 1 1 25 HIS H H -7.519 1.357 0.934 1.00 . A A . 82 HIS H 1 1 1 408 1 1 25 HIS HA H -9.587 -0.519 0.005 1.00 . A A . 82 HIS HA 1 1 1 409 1 1 25 HIS HB2 H -7.062 -0.877 1.598 1.00 . A A . 82 HIS HB2 1 1 1 410 1 1 25 HIS HB3 H -8.329 -2.087 1.644 1.00 . A A . 82 HIS HB3 1 1 1 411 1 1 25 HIS HD1 H -8.514 -3.671 -0.385 1.00 . A A . 82 HIS HD1 1 1 1 412 1 1 25 HIS HD2 H -5.699 -0.639 -0.823 1.00 . A A . 82 HIS HD2 1 1 1 413 1 1 25 HIS HE1 H -7.056 -4.317 -2.355 1.00 . A A . 82 HIS HE1 1 1 1 414 1 1 25 HIS N N -8.293 1.042 0.420 1.00 . A A . 82 HIS N 1 1 1 415 1 1 25 HIS ND1 N -7.744 -3.132 -0.707 1.00 . A A . 82 HIS ND1 1 1 1 416 1 1 25 HIS NE2 N -6.035 -2.505 -1.926 1.00 . A A . 82 HIS NE2 1 1 1 417 1 1 25 HIS O O -10.338 -0.965 2.585 1.00 . A A . 82 HIS O 1 1 1 418 1 1 26 ASP C C -11.822 1.787 3.616 1.00 . A A . 83 ASP C 1 1 1 419 1 1 26 ASP CA C -10.354 1.490 3.856 1.00 . A A . 83 ASP CA 1 1 1 420 1 1 26 ASP CB C -9.672 2.669 4.551 1.00 . A A . 83 ASP CB 1 1 1 421 1 1 26 ASP CG C -10.299 2.988 5.889 1.00 . A A . 83 ASP CG 1 1 1 422 1 1 26 ASP H H -9.236 1.906 2.116 1.00 . A A . 83 ASP H 1 1 1 423 1 1 26 ASP HA H -10.276 0.617 4.490 1.00 . A A . 83 ASP HA 1 1 1 424 1 1 26 ASP HB2 H -8.629 2.429 4.712 1.00 . A A . 83 ASP HB2 1 1 1 425 1 1 26 ASP HB3 H -9.746 3.545 3.919 1.00 . A A . 83 ASP HB3 1 1 1 426 1 1 26 ASP N N -9.696 1.188 2.600 1.00 . A A . 83 ASP N 1 1 1 427 1 1 26 ASP O O -12.137 2.905 3.156 1.00 . A A . 83 ASP O 1 1 1 428 1 1 26 ASP OXT O -12.653 0.888 3.856 1.00 . A A . 83 ASP OXT 1 1 1 429 1 1 26 ASP OD1 O -10.293 2.112 6.777 1.00 . A A . 83 ASP OD1 1 1 1 430 1 1 26 ASP OD2 O -10.786 4.122 6.066 1.00 . A A . 83 ASP OD2 1 1 1 431 2 2 1 ZN ZN ZN -4.132 -3.032 -2.276 1.00 . B A . 101 ZN ZN 1 1 2 432 1 1 1 LYS C C 9.844 -2.251 2.526 1.00 . A A . 58 LYS C 1 1 2 433 1 1 1 LYS CA C 10.703 -1.002 2.691 1.00 . A A . 58 LYS CA 1 1 2 434 1 1 1 LYS CB C 9.838 0.242 2.439 1.00 . A A . 58 LYS CB 1 1 2 435 1 1 1 LYS CD C 11.505 2.064 1.923 1.00 . A A . 58 LYS CD 1 1 2 436 1 1 1 LYS CE C 12.143 3.356 2.409 1.00 . A A . 58 LYS CE 1 1 2 437 1 1 1 LYS CG C 10.466 1.550 2.902 1.00 . A A . 58 LYS CG 1 1 2 438 1 1 1 LYS H1 H 11.548 -1.119 0.787 1.00 . A A . 58 LYS H1 1 1 2 439 1 1 1 LYS H2 H 12.453 -1.892 1.994 1.00 . A A . 58 LYS H2 1 1 2 440 1 1 1 LYS H3 H 12.458 -0.205 1.886 1.00 . A A . 58 LYS H3 1 1 2 441 1 1 1 LYS HA H 11.078 -0.971 3.706 1.00 . A A . 58 LYS HA 1 1 2 442 1 1 1 LYS HB2 H 9.644 0.319 1.378 1.00 . A A . 58 LYS HB2 1 1 2 443 1 1 1 LYS HB3 H 8.896 0.120 2.954 1.00 . A A . 58 LYS HB3 1 1 2 444 1 1 1 LYS HD2 H 12.275 1.316 1.808 1.00 . A A . 58 LYS HD2 1 1 2 445 1 1 1 LYS HD3 H 11.029 2.244 0.969 1.00 . A A . 58 LYS HD3 1 1 2 446 1 1 1 LYS HE2 H 11.367 4.094 2.557 1.00 . A A . 58 LYS HE2 1 1 2 447 1 1 1 LYS HE3 H 12.641 3.167 3.348 1.00 . A A . 58 LYS HE3 1 1 2 448 1 1 1 LYS HG2 H 9.688 2.292 3.006 1.00 . A A . 58 LYS HG2 1 1 2 449 1 1 1 LYS HG3 H 10.937 1.386 3.861 1.00 . A A . 58 LYS HG3 1 1 2 450 1 1 1 LYS HZ1 H 12.646 4.189 0.562 1.00 . A A . 58 LYS HZ1 1 1 2 451 1 1 1 LYS HZ2 H 13.826 3.147 1.192 1.00 . A A . 58 LYS HZ2 1 1 2 452 1 1 1 LYS HZ3 H 13.639 4.702 1.840 1.00 . A A . 58 LYS HZ3 1 1 2 453 1 1 1 LYS N N 11.868 -1.054 1.777 1.00 . A A . 58 LYS N 1 1 2 454 1 1 1 LYS NZ N 13.131 3.884 1.435 1.00 . A A . 58 LYS NZ 1 1 2 455 1 1 1 LYS O O 9.513 -2.643 1.405 1.00 . A A . 58 LYS O 1 1 2 456 1 1 2 PRO C C 7.138 -3.752 3.614 1.00 . A A . 59 PRO C 1 1 2 457 1 1 2 PRO CA C 8.628 -4.089 3.636 1.00 . A A . 59 PRO CA 1 1 2 458 1 1 2 PRO CB C 9.014 -4.751 4.951 1.00 . A A . 59 PRO CB 1 1 2 459 1 1 2 PRO CD C 9.848 -2.509 5.018 1.00 . A A . 59 PRO CD 1 1 2 460 1 1 2 PRO CG C 9.249 -3.604 5.865 1.00 . A A . 59 PRO CG 1 1 2 461 1 1 2 PRO HA H 8.865 -4.743 2.815 1.00 . A A . 59 PRO HA 1 1 2 462 1 1 2 PRO HB2 H 8.204 -5.382 5.299 1.00 . A A . 59 PRO HB2 1 1 2 463 1 1 2 PRO HB3 H 9.911 -5.336 4.815 1.00 . A A . 59 PRO HB3 1 1 2 464 1 1 2 PRO HD2 H 9.423 -1.552 5.281 1.00 . A A . 59 PRO HD2 1 1 2 465 1 1 2 PRO HD3 H 10.923 -2.489 5.130 1.00 . A A . 59 PRO HD3 1 1 2 466 1 1 2 PRO HG2 H 8.311 -3.280 6.283 1.00 . A A . 59 PRO HG2 1 1 2 467 1 1 2 PRO HG3 H 9.935 -3.889 6.648 1.00 . A A . 59 PRO HG3 1 1 2 468 1 1 2 PRO N N 9.469 -2.892 3.643 1.00 . A A . 59 PRO N 1 1 2 469 1 1 2 PRO O O 6.315 -4.446 4.215 1.00 . A A . 59 PRO O 1 1 2 470 1 1 3 TYR C C 4.648 -2.925 1.777 1.00 . A A . 60 TYR C 1 1 2 471 1 1 3 TYR CA C 5.431 -2.205 2.864 1.00 . A A . 60 TYR CA 1 1 2 472 1 1 3 TYR CB C 5.401 -0.692 2.649 1.00 . A A . 60 TYR CB 1 1 2 473 1 1 3 TYR CD1 C 6.890 0.089 4.539 1.00 . A A . 60 TYR CD1 1 1 2 474 1 1 3 TYR CD2 C 4.626 0.834 4.503 1.00 . A A . 60 TYR CD2 1 1 2 475 1 1 3 TYR CE1 C 7.109 0.800 5.701 1.00 . A A . 60 TYR CE1 1 1 2 476 1 1 3 TYR CE2 C 4.839 1.548 5.665 1.00 . A A . 60 TYR CE2 1 1 2 477 1 1 3 TYR CG C 5.646 0.091 3.920 1.00 . A A . 60 TYR CG 1 1 2 478 1 1 3 TYR CZ C 6.083 1.528 6.259 1.00 . A A . 60 TYR CZ 1 1 2 479 1 1 3 TYR H H 7.492 -2.202 2.418 1.00 . A A . 60 TYR H 1 1 2 480 1 1 3 TYR HA H 4.974 -2.426 3.815 1.00 . A A . 60 TYR HA 1 1 2 481 1 1 3 TYR HB2 H 6.165 -0.419 1.936 1.00 . A A . 60 TYR HB2 1 1 2 482 1 1 3 TYR HB3 H 4.432 -0.406 2.262 1.00 . A A . 60 TYR HB3 1 1 2 483 1 1 3 TYR HD1 H 7.695 -0.488 4.102 1.00 . A A . 60 TYR HD1 1 1 2 484 1 1 3 TYR HD2 H 3.653 0.845 4.035 1.00 . A A . 60 TYR HD2 1 1 2 485 1 1 3 TYR HE1 H 8.082 0.786 6.167 1.00 . A A . 60 TYR HE1 1 1 2 486 1 1 3 TYR HE2 H 4.033 2.121 6.102 1.00 . A A . 60 TYR HE2 1 1 2 487 1 1 3 TYR HH H 5.505 2.228 7.957 1.00 . A A . 60 TYR HH 1 1 2 488 1 1 3 TYR N N 6.800 -2.678 2.920 1.00 . A A . 60 TYR N 1 1 2 489 1 1 3 TYR O O 4.780 -2.632 0.585 1.00 . A A . 60 TYR O 1 1 2 490 1 1 3 TYR OH O 6.302 2.245 7.412 1.00 . A A . 60 TYR OH 1 1 2 491 1 1 4 VAL C C 1.563 -4.511 1.707 1.00 . A A . 61 VAL C 1 1 2 492 1 1 4 VAL CA C 3.021 -4.661 1.311 1.00 . A A . 61 VAL CA 1 1 2 493 1 1 4 VAL CB C 3.387 -6.158 1.344 1.00 . A A . 61 VAL CB 1 1 2 494 1 1 4 VAL CG1 C 2.609 -6.927 0.289 1.00 . A A . 61 VAL CG1 1 1 2 495 1 1 4 VAL CG2 C 4.875 -6.347 1.149 1.00 . A A . 61 VAL CG2 1 1 2 496 1 1 4 VAL H H 3.832 -4.104 3.160 1.00 . A A . 61 VAL H 1 1 2 497 1 1 4 VAL HA H 3.162 -4.290 0.305 1.00 . A A . 61 VAL HA 1 1 2 498 1 1 4 VAL HB H 3.122 -6.551 2.316 1.00 . A A . 61 VAL HB 1 1 2 499 1 1 4 VAL HG11 H 2.885 -7.969 0.326 1.00 . A A . 61 VAL HG11 1 1 2 500 1 1 4 VAL HG12 H 2.837 -6.526 -0.688 1.00 . A A . 61 VAL HG12 1 1 2 501 1 1 4 VAL HG13 H 1.552 -6.826 0.482 1.00 . A A . 61 VAL HG13 1 1 2 502 1 1 4 VAL HG21 H 5.110 -7.399 1.179 1.00 . A A . 61 VAL HG21 1 1 2 503 1 1 4 VAL HG22 H 5.408 -5.833 1.933 1.00 . A A . 61 VAL HG22 1 1 2 504 1 1 4 VAL HG23 H 5.161 -5.939 0.190 1.00 . A A . 61 VAL HG23 1 1 2 505 1 1 4 VAL N N 3.856 -3.895 2.206 1.00 . A A . 61 VAL N 1 1 2 506 1 1 4 VAL O O 1.240 -4.430 2.891 1.00 . A A . 61 VAL O 1 1 2 507 1 1 5 CYS C C -1.209 -5.871 1.175 1.00 . A A . 62 CYS C 1 1 2 508 1 1 5 CYS CA C -0.734 -4.452 0.941 1.00 . A A . 62 CYS CA 1 1 2 509 1 1 5 CYS CB C -1.457 -3.874 -0.276 1.00 . A A . 62 CYS CB 1 1 2 510 1 1 5 CYS H H 1.041 -4.441 -0.211 1.00 . A A . 62 CYS H 1 1 2 511 1 1 5 CYS HA H -0.943 -3.848 1.812 1.00 . A A . 62 CYS HA 1 1 2 512 1 1 5 CYS HB2 H -1.120 -2.874 -0.446 1.00 . A A . 62 CYS HB2 1 1 2 513 1 1 5 CYS HB3 H -1.214 -4.477 -1.133 1.00 . A A . 62 CYS HB3 1 1 2 514 1 1 5 CYS N N 0.699 -4.460 0.712 1.00 . A A . 62 CYS N 1 1 2 515 1 1 5 CYS O O -1.308 -6.646 0.235 1.00 . A A . 62 CYS O 1 1 2 516 1 1 5 CYS SG S -3.258 -3.812 -0.156 1.00 . A A . 62 CYS SG 1 1 2 517 1 1 6 GLU C C -3.372 -7.740 2.066 1.00 . A A . 63 GLU C 1 1 2 518 1 1 6 GLU CA C -2.009 -7.550 2.712 1.00 . A A . 63 GLU CA 1 1 2 519 1 1 6 GLU CB C -2.111 -7.757 4.221 1.00 . A A . 63 GLU CB 1 1 2 520 1 1 6 GLU CD C -2.655 -9.330 6.121 1.00 . A A . 63 GLU CD 1 1 2 521 1 1 6 GLU CG C -2.473 -9.178 4.625 1.00 . A A . 63 GLU CG 1 1 2 522 1 1 6 GLU H H -1.371 -5.571 3.146 1.00 . A A . 63 GLU H 1 1 2 523 1 1 6 GLU HA H -1.319 -8.269 2.299 1.00 . A A . 63 GLU HA 1 1 2 524 1 1 6 GLU HB2 H -1.160 -7.510 4.668 1.00 . A A . 63 GLU HB2 1 1 2 525 1 1 6 GLU HB3 H -2.865 -7.090 4.612 1.00 . A A . 63 GLU HB3 1 1 2 526 1 1 6 GLU HG2 H -3.396 -9.457 4.138 1.00 . A A . 63 GLU HG2 1 1 2 527 1 1 6 GLU HG3 H -1.684 -9.841 4.304 1.00 . A A . 63 GLU HG3 1 1 2 528 1 1 6 GLU N N -1.504 -6.219 2.413 1.00 . A A . 63 GLU N 1 1 2 529 1 1 6 GLU O O -3.822 -8.858 1.839 1.00 . A A . 63 GLU O 1 1 2 530 1 1 6 GLU OE1 O -1.641 -9.500 6.831 1.00 . A A . 63 GLU OE1 1 1 2 531 1 1 6 GLU OE2 O -3.811 -9.283 6.593 1.00 . A A . 63 GLU OE2 1 1 2 532 1 1 7 ARG C C -5.388 -7.026 -0.262 1.00 . A A . 64 ARG C 1 1 2 533 1 1 7 ARG CA C -5.356 -6.640 1.216 1.00 . A A . 64 ARG CA 1 1 2 534 1 1 7 ARG CB C -6.024 -5.288 1.444 1.00 . A A . 64 ARG CB 1 1 2 535 1 1 7 ARG CD C -6.823 -3.633 3.174 1.00 . A A . 64 ARG CD 1 1 2 536 1 1 7 ARG CG C -5.951 -4.841 2.892 1.00 . A A . 64 ARG CG 1 1 2 537 1 1 7 ARG CZ C -7.290 -2.162 5.112 1.00 . A A . 64 ARG CZ 1 1 2 538 1 1 7 ARG H H -3.581 -5.761 1.915 1.00 . A A . 64 ARG H 1 1 2 539 1 1 7 ARG HA H -5.908 -7.385 1.767 1.00 . A A . 64 ARG HA 1 1 2 540 1 1 7 ARG HB2 H -5.539 -4.542 0.826 1.00 . A A . 64 ARG HB2 1 1 2 541 1 1 7 ARG HB3 H -7.058 -5.360 1.164 1.00 . A A . 64 ARG HB3 1 1 2 542 1 1 7 ARG HD2 H -6.628 -2.877 2.423 1.00 . A A . 64 ARG HD2 1 1 2 543 1 1 7 ARG HD3 H -7.860 -3.934 3.131 1.00 . A A . 64 ARG HD3 1 1 2 544 1 1 7 ARG HE H -5.715 -3.397 4.949 1.00 . A A . 64 ARG HE 1 1 2 545 1 1 7 ARG HG2 H -6.273 -5.654 3.519 1.00 . A A . 64 ARG HG2 1 1 2 546 1 1 7 ARG HG3 H -4.926 -4.594 3.126 1.00 . A A . 64 ARG HG3 1 1 2 547 1 1 7 ARG HH11 H -8.737 -2.130 3.696 1.00 . A A . 64 ARG HH11 1 1 2 548 1 1 7 ARG HH12 H -8.983 -1.039 5.028 1.00 . A A . 64 ARG HH12 1 1 2 549 1 1 7 ARG HH21 H -6.052 -1.994 6.715 1.00 . A A . 64 ARG HH21 1 1 2 550 1 1 7 ARG HH22 H -7.468 -0.982 6.755 1.00 . A A . 64 ARG HH22 1 1 2 551 1 1 7 ARG N N -4.015 -6.622 1.755 1.00 . A A . 64 ARG N 1 1 2 552 1 1 7 ARG NE N -6.540 -3.077 4.496 1.00 . A A . 64 ARG NE 1 1 2 553 1 1 7 ARG NH1 N -8.427 -1.749 4.568 1.00 . A A . 64 ARG NH1 1 1 2 554 1 1 7 ARG NH2 N -6.908 -1.675 6.286 1.00 . A A . 64 ARG NH2 1 1 2 555 1 1 7 ARG O O -6.353 -7.644 -0.699 1.00 . A A . 64 ARG O 1 1 2 556 1 1 8 CYS C C -2.980 -7.565 -2.925 1.00 . A A . 65 CYS C 1 1 2 557 1 1 8 CYS CA C -4.368 -7.123 -2.446 1.00 . A A . 65 CYS CA 1 1 2 558 1 1 8 CYS CB C -4.955 -6.055 -3.374 1.00 . A A . 65 CYS CB 1 1 2 559 1 1 8 CYS H H -3.624 -6.102 -0.712 1.00 . A A . 65 CYS H 1 1 2 560 1 1 8 CYS HA H -5.018 -7.987 -2.483 1.00 . A A . 65 CYS HA 1 1 2 561 1 1 8 CYS HB2 H -5.199 -6.517 -4.316 1.00 . A A . 65 CYS HB2 1 1 2 562 1 1 8 CYS HB3 H -5.858 -5.656 -2.928 1.00 . A A . 65 CYS HB3 1 1 2 563 1 1 8 CYS N N -4.367 -6.668 -1.055 1.00 . A A . 65 CYS N 1 1 2 564 1 1 8 CYS O O -2.764 -7.780 -4.116 1.00 . A A . 65 CYS O 1 1 2 565 1 1 8 CYS SG S -3.858 -4.671 -3.723 1.00 . A A . 65 CYS SG 1 1 2 566 1 1 9 GLY C C 0.248 -7.303 -2.933 1.00 . A A . 66 GLY C 1 1 2 567 1 1 9 GLY CA C -0.741 -8.269 -2.301 1.00 . A A . 66 GLY CA 1 1 2 568 1 1 9 GLY H H -2.221 -7.364 -1.088 1.00 . A A . 66 GLY H 1 1 2 569 1 1 9 GLY HA2 H -0.309 -8.643 -1.379 1.00 . A A . 66 GLY HA2 1 1 2 570 1 1 9 GLY HA3 H -0.893 -9.103 -2.976 1.00 . A A . 66 GLY HA3 1 1 2 571 1 1 9 GLY N N -2.039 -7.681 -1.998 1.00 . A A . 66 GLY N 1 1 2 572 1 1 9 GLY O O 1.449 -7.566 -2.947 1.00 . A A . 66 GLY O 1 1 2 573 1 1 10 LYS C C 1.412 -4.345 -3.282 1.00 . A A . 67 LYS C 1 1 2 574 1 1 10 LYS CA C 0.599 -5.258 -4.199 1.00 . A A . 67 LYS CA 1 1 2 575 1 1 10 LYS CB C -0.275 -4.462 -5.158 1.00 . A A . 67 LYS CB 1 1 2 576 1 1 10 LYS CD C -2.058 -4.690 -6.920 1.00 . A A . 67 LYS CD 1 1 2 577 1 1 10 LYS CE C -2.572 -5.549 -8.064 1.00 . A A . 67 LYS CE 1 1 2 578 1 1 10 LYS CG C -0.872 -5.342 -6.242 1.00 . A A . 67 LYS CG 1 1 2 579 1 1 10 LYS H H -1.193 -5.976 -3.323 1.00 . A A . 67 LYS H 1 1 2 580 1 1 10 LYS HA H 1.287 -5.851 -4.780 1.00 . A A . 67 LYS HA 1 1 2 581 1 1 10 LYS HB2 H -1.082 -4.002 -4.604 1.00 . A A . 67 LYS HB2 1 1 2 582 1 1 10 LYS HB3 H 0.319 -3.694 -5.628 1.00 . A A . 67 LYS HB3 1 1 2 583 1 1 10 LYS HD2 H -2.844 -4.565 -6.192 1.00 . A A . 67 LYS HD2 1 1 2 584 1 1 10 LYS HD3 H -1.760 -3.726 -7.306 1.00 . A A . 67 LYS HD3 1 1 2 585 1 1 10 LYS HE2 H -1.783 -5.678 -8.789 1.00 . A A . 67 LYS HE2 1 1 2 586 1 1 10 LYS HE3 H -2.857 -6.512 -7.669 1.00 . A A . 67 LYS HE3 1 1 2 587 1 1 10 LYS HG2 H -0.115 -5.545 -6.986 1.00 . A A . 67 LYS HG2 1 1 2 588 1 1 10 LYS HG3 H -1.193 -6.272 -5.796 1.00 . A A . 67 LYS HG3 1 1 2 589 1 1 10 LYS HZ1 H -4.578 -4.979 -8.106 1.00 . A A . 67 LYS HZ1 1 1 2 590 1 1 10 LYS HZ2 H -3.962 -5.452 -9.618 1.00 . A A . 67 LYS HZ2 1 1 2 591 1 1 10 LYS HZ3 H -3.550 -3.944 -8.969 1.00 . A A . 67 LYS HZ3 1 1 2 592 1 1 10 LYS N N -0.241 -6.184 -3.445 1.00 . A A . 67 LYS N 1 1 2 593 1 1 10 LYS NZ N -3.746 -4.938 -8.736 1.00 . A A . 67 LYS NZ 1 1 2 594 1 1 10 LYS O O 0.915 -3.857 -2.265 1.00 . A A . 67 LYS O 1 1 2 595 1 1 11 ARG C C 3.876 -1.990 -3.290 1.00 . A A . 68 ARG C 1 1 2 596 1 1 11 ARG CA C 3.623 -3.414 -2.818 1.00 . A A . 68 ARG CA 1 1 2 597 1 1 11 ARG CB C 4.953 -4.141 -2.822 1.00 . A A . 68 ARG CB 1 1 2 598 1 1 11 ARG CD C 6.223 -6.198 -2.224 1.00 . A A . 68 ARG CD 1 1 2 599 1 1 11 ARG CG C 4.859 -5.539 -2.287 1.00 . A A . 68 ARG CG 1 1 2 600 1 1 11 ARG CZ C 8.043 -6.074 -0.563 1.00 . A A . 68 ARG CZ 1 1 2 601 1 1 11 ARG H H 3.000 -4.534 -4.480 1.00 . A A . 68 ARG H 1 1 2 602 1 1 11 ARG HA H 3.244 -3.391 -1.810 1.00 . A A . 68 ARG HA 1 1 2 603 1 1 11 ARG HB2 H 5.323 -4.192 -3.838 1.00 . A A . 68 ARG HB2 1 1 2 604 1 1 11 ARG HB3 H 5.651 -3.595 -2.216 1.00 . A A . 68 ARG HB3 1 1 2 605 1 1 11 ARG HD2 H 6.101 -7.208 -1.861 1.00 . A A . 68 ARG HD2 1 1 2 606 1 1 11 ARG HD3 H 6.644 -6.225 -3.219 1.00 . A A . 68 ARG HD3 1 1 2 607 1 1 11 ARG HE H 7.082 -4.492 -1.319 1.00 . A A . 68 ARG HE 1 1 2 608 1 1 11 ARG HG2 H 4.437 -5.492 -1.299 1.00 . A A . 68 ARG HG2 1 1 2 609 1 1 11 ARG HG3 H 4.216 -6.114 -2.932 1.00 . A A . 68 ARG HG3 1 1 2 610 1 1 11 ARG HH11 H 7.529 -7.956 -1.121 1.00 . A A . 68 ARG HH11 1 1 2 611 1 1 11 ARG HH12 H 8.833 -7.848 0.026 1.00 . A A . 68 ARG HH12 1 1 2 612 1 1 11 ARG HH21 H 8.755 -4.337 0.202 1.00 . A A . 68 ARG HH21 1 1 2 613 1 1 11 ARG HH22 H 9.514 -5.783 0.809 1.00 . A A . 68 ARG HH22 1 1 2 614 1 1 11 ARG N N 2.679 -4.148 -3.644 1.00 . A A . 68 ARG N 1 1 2 615 1 1 11 ARG NE N 7.143 -5.480 -1.338 1.00 . A A . 68 ARG NE 1 1 2 616 1 1 11 ARG NH1 N 8.141 -7.396 -0.549 1.00 . A A . 68 ARG NH1 1 1 2 617 1 1 11 ARG NH2 N 8.835 -5.339 0.207 1.00 . A A . 68 ARG NH2 1 1 2 618 1 1 11 ARG O O 3.450 -1.575 -4.371 1.00 . A A . 68 ARG O 1 1 2 619 1 1 12 PHE C C 6.446 0.267 -2.102 1.00 . A A . 69 PHE C 1 1 2 620 1 1 12 PHE CA C 5.102 0.066 -2.759 1.00 . A A . 69 PHE CA 1 1 2 621 1 1 12 PHE CB C 4.140 1.159 -2.296 1.00 . A A . 69 PHE CB 1 1 2 622 1 1 12 PHE CD1 C 3.345 2.393 -4.322 1.00 . A A . 69 PHE CD1 1 1 2 623 1 1 12 PHE CD2 C 1.834 0.914 -3.231 1.00 . A A . 69 PHE CD2 1 1 2 624 1 1 12 PHE CE1 C 2.380 2.703 -5.257 1.00 . A A . 69 PHE CE1 1 1 2 625 1 1 12 PHE CE2 C 0.865 1.221 -4.163 1.00 . A A . 69 PHE CE2 1 1 2 626 1 1 12 PHE CG C 3.083 1.496 -3.301 1.00 . A A . 69 PHE CG 1 1 2 627 1 1 12 PHE CZ C 1.138 2.116 -5.180 1.00 . A A . 69 PHE CZ 1 1 2 628 1 1 12 PHE H H 4.840 -1.663 -1.583 1.00 . A A . 69 PHE H 1 1 2 629 1 1 12 PHE HA H 5.232 0.145 -3.827 1.00 . A A . 69 PHE HA 1 1 2 630 1 1 12 PHE HB2 H 3.649 0.836 -1.394 1.00 . A A . 69 PHE HB2 1 1 2 631 1 1 12 PHE HB3 H 4.704 2.062 -2.093 1.00 . A A . 69 PHE HB3 1 1 2 632 1 1 12 PHE HD1 H 4.320 2.854 -4.382 1.00 . A A . 69 PHE HD1 1 1 2 633 1 1 12 PHE HD2 H 1.617 0.213 -2.428 1.00 . A A . 69 PHE HD2 1 1 2 634 1 1 12 PHE HE1 H 2.596 3.405 -6.047 1.00 . A A . 69 PHE HE1 1 1 2 635 1 1 12 PHE HE2 H -0.110 0.759 -4.097 1.00 . A A . 69 PHE HE2 1 1 2 636 1 1 12 PHE HZ H 0.379 2.356 -5.910 1.00 . A A . 69 PHE HZ 1 1 2 637 1 1 12 PHE N N 4.608 -1.268 -2.452 1.00 . A A . 69 PHE N 1 1 2 638 1 1 12 PHE O O 6.705 -0.217 -1.001 1.00 . A A . 69 PHE O 1 1 2 639 1 1 13 VAL C C 8.543 2.384 -1.298 1.00 . A A . 70 VAL C 1 1 2 640 1 1 13 VAL CA C 8.614 1.287 -2.354 1.00 . A A . 70 VAL CA 1 1 2 641 1 1 13 VAL CB C 9.472 1.733 -3.553 1.00 . A A . 70 VAL CB 1 1 2 642 1 1 13 VAL CG1 C 10.665 2.538 -3.103 1.00 . A A . 70 VAL CG1 1 1 2 643 1 1 13 VAL CG2 C 9.911 0.527 -4.370 1.00 . A A . 70 VAL CG2 1 1 2 644 1 1 13 VAL H H 7.015 1.306 -3.684 1.00 . A A . 70 VAL H 1 1 2 645 1 1 13 VAL HA H 9.053 0.399 -1.924 1.00 . A A . 70 VAL HA 1 1 2 646 1 1 13 VAL HB H 8.865 2.361 -4.186 1.00 . A A . 70 VAL HB 1 1 2 647 1 1 13 VAL HG11 H 11.293 1.928 -2.476 1.00 . A A . 70 VAL HG11 1 1 2 648 1 1 13 VAL HG12 H 10.315 3.392 -2.547 1.00 . A A . 70 VAL HG12 1 1 2 649 1 1 13 VAL HG13 H 11.219 2.869 -3.966 1.00 . A A . 70 VAL HG13 1 1 2 650 1 1 13 VAL HG21 H 9.041 -0.017 -4.708 1.00 . A A . 70 VAL HG21 1 1 2 651 1 1 13 VAL HG22 H 10.525 -0.120 -3.761 1.00 . A A . 70 VAL HG22 1 1 2 652 1 1 13 VAL HG23 H 10.481 0.858 -5.227 1.00 . A A . 70 VAL HG23 1 1 2 653 1 1 13 VAL N N 7.294 0.970 -2.810 1.00 . A A . 70 VAL N 1 1 2 654 1 1 13 VAL O O 9.338 2.417 -0.361 1.00 . A A . 70 VAL O 1 1 2 655 1 1 14 GLN C C 6.348 4.011 0.493 1.00 . A A . 71 GLN C 1 1 2 656 1 1 14 GLN CA C 7.395 4.359 -0.545 1.00 . A A . 71 GLN CA 1 1 2 657 1 1 14 GLN CB C 6.956 5.539 -1.372 1.00 . A A . 71 GLN CB 1 1 2 658 1 1 14 GLN CD C 9.164 6.608 -1.988 1.00 . A A . 71 GLN CD 1 1 2 659 1 1 14 GLN CG C 7.933 5.867 -2.479 1.00 . A A . 71 GLN CG 1 1 2 660 1 1 14 GLN H H 6.951 3.216 -2.202 1.00 . A A . 71 GLN H 1 1 2 661 1 1 14 GLN HA H 8.335 4.580 -0.067 1.00 . A A . 71 GLN HA 1 1 2 662 1 1 14 GLN HB2 H 5.994 5.315 -1.820 1.00 . A A . 71 GLN HB2 1 1 2 663 1 1 14 GLN HB3 H 6.864 6.386 -0.737 1.00 . A A . 71 GLN HB3 1 1 2 664 1 1 14 GLN HE21 H 9.339 7.529 -3.741 1.00 . A A . 71 GLN HE21 1 1 2 665 1 1 14 GLN HE22 H 10.528 7.936 -2.550 1.00 . A A . 71 GLN HE22 1 1 2 666 1 1 14 GLN HG2 H 8.254 4.939 -2.933 1.00 . A A . 71 GLN HG2 1 1 2 667 1 1 14 GLN HG3 H 7.433 6.461 -3.214 1.00 . A A . 71 GLN HG3 1 1 2 668 1 1 14 GLN N N 7.571 3.274 -1.448 1.00 . A A . 71 GLN N 1 1 2 669 1 1 14 GLN NE2 N 9.735 7.440 -2.843 1.00 . A A . 71 GLN NE2 1 1 2 670 1 1 14 GLN O O 5.242 3.578 0.157 1.00 . A A . 71 GLN O 1 1 2 671 1 1 14 GLN OE1 O 9.604 6.432 -0.849 1.00 . A A . 71 GLN OE1 1 1 2 672 1 1 15 SER C C 4.524 4.753 2.695 1.00 . A A . 72 SER C 1 1 2 673 1 1 15 SER CA C 5.811 3.962 2.865 1.00 . A A . 72 SER CA 1 1 2 674 1 1 15 SER CB C 6.512 4.344 4.170 1.00 . A A . 72 SER CB 1 1 2 675 1 1 15 SER H H 7.622 4.531 1.939 1.00 . A A . 72 SER H 1 1 2 676 1 1 15 SER HA H 5.576 2.908 2.884 1.00 . A A . 72 SER HA 1 1 2 677 1 1 15 SER HB2 H 5.778 4.452 4.956 1.00 . A A . 72 SER HB2 1 1 2 678 1 1 15 SER HB3 H 7.214 3.570 4.439 1.00 . A A . 72 SER HB3 1 1 2 679 1 1 15 SER HG H 6.874 6.217 4.673 1.00 . A A . 72 SER HG 1 1 2 680 1 1 15 SER N N 6.709 4.208 1.751 1.00 . A A . 72 SER N 1 1 2 681 1 1 15 SER O O 3.424 4.233 2.890 1.00 . A A . 72 SER O 1 1 2 682 1 1 15 SER OG O 7.213 5.572 4.030 1.00 . A A . 72 SER OG 1 1 2 683 1 1 16 SER C C 2.614 6.343 1.017 1.00 . A A . 73 SER C 1 1 2 684 1 1 16 SER CA C 3.560 6.900 2.081 1.00 . A A . 73 SER CA 1 1 2 685 1 1 16 SER CB C 4.083 8.277 1.663 1.00 . A A . 73 SER CB 1 1 2 686 1 1 16 SER H H 5.588 6.350 2.159 1.00 . A A . 73 SER H 1 1 2 687 1 1 16 SER HA H 3.024 6.996 3.014 1.00 . A A . 73 SER HA 1 1 2 688 1 1 16 SER HB2 H 4.418 8.238 0.638 1.00 . A A . 73 SER HB2 1 1 2 689 1 1 16 SER HB3 H 3.291 9.004 1.757 1.00 . A A . 73 SER HB3 1 1 2 690 1 1 16 SER HG H 4.855 9.285 3.159 1.00 . A A . 73 SER HG 1 1 2 691 1 1 16 SER N N 4.680 6.009 2.298 1.00 . A A . 73 SER N 1 1 2 692 1 1 16 SER O O 1.397 6.347 1.197 1.00 . A A . 73 SER O 1 1 2 693 1 1 16 SER OG O 5.169 8.672 2.487 1.00 . A A . 73 SER OG 1 1 2 694 1 1 17 GLN C C 1.652 4.093 -0.877 1.00 . A A . 74 GLN C 1 1 2 695 1 1 17 GLN CA C 2.373 5.386 -1.197 1.00 . A A . 74 GLN CA 1 1 2 696 1 1 17 GLN CB C 3.232 5.213 -2.452 1.00 . A A . 74 GLN CB 1 1 2 697 1 1 17 GLN CD C 4.498 6.370 -4.317 1.00 . A A . 74 GLN CD 1 1 2 698 1 1 17 GLN CG C 3.889 6.499 -2.932 1.00 . A A . 74 GLN CG 1 1 2 699 1 1 17 GLN H H 4.139 5.640 -0.079 1.00 . A A . 74 GLN H 1 1 2 700 1 1 17 GLN HA H 1.639 6.155 -1.378 1.00 . A A . 74 GLN HA 1 1 2 701 1 1 17 GLN HB2 H 4.014 4.494 -2.239 1.00 . A A . 74 GLN HB2 1 1 2 702 1 1 17 GLN HB3 H 2.608 4.833 -3.250 1.00 . A A . 74 GLN HB3 1 1 2 703 1 1 17 GLN HE21 H 3.081 5.089 -4.854 1.00 . A A . 74 GLN HE21 1 1 2 704 1 1 17 GLN HE22 H 4.259 5.453 -6.066 1.00 . A A . 74 GLN HE22 1 1 2 705 1 1 17 GLN HG2 H 3.146 7.278 -2.955 1.00 . A A . 74 GLN HG2 1 1 2 706 1 1 17 GLN HG3 H 4.671 6.767 -2.237 1.00 . A A . 74 GLN HG3 1 1 2 707 1 1 17 GLN N N 3.177 5.804 -0.063 1.00 . A A . 74 GLN N 1 1 2 708 1 1 17 GLN NE2 N 3.884 5.557 -5.161 1.00 . A A . 74 GLN NE2 1 1 2 709 1 1 17 GLN O O 0.538 3.872 -1.336 1.00 . A A . 74 GLN O 1 1 2 710 1 1 17 GLN OE1 O 5.503 7.008 -4.631 1.00 . A A . 74 GLN OE1 1 1 2 711 1 1 18 LEU C C 0.536 2.274 1.290 1.00 . A A . 75 LEU C 1 1 2 712 1 1 18 LEU CA C 1.673 1.992 0.316 1.00 . A A . 75 LEU CA 1 1 2 713 1 1 18 LEU CB C 2.730 1.063 0.933 1.00 . A A . 75 LEU CB 1 1 2 714 1 1 18 LEU CD1 C 1.232 -0.684 1.920 1.00 . A A . 75 LEU CD1 1 1 2 715 1 1 18 LEU CD2 C 2.024 -0.946 -0.409 1.00 . A A . 75 LEU CD2 1 1 2 716 1 1 18 LEU CG C 2.376 -0.430 0.975 1.00 . A A . 75 LEU CG 1 1 2 717 1 1 18 LEU H H 3.178 3.470 0.264 1.00 . A A . 75 LEU H 1 1 2 718 1 1 18 LEU HA H 1.263 1.532 -0.571 1.00 . A A . 75 LEU HA 1 1 2 719 1 1 18 LEU HB2 H 3.646 1.174 0.367 1.00 . A A . 75 LEU HB2 1 1 2 720 1 1 18 LEU HB3 H 2.910 1.392 1.949 1.00 . A A . 75 LEU HB3 1 1 2 721 1 1 18 LEU HD11 H 0.344 -0.211 1.525 1.00 . A A . 75 LEU HD11 1 1 2 722 1 1 18 LEU HD12 H 1.466 -0.264 2.886 1.00 . A A . 75 LEU HD12 1 1 2 723 1 1 18 LEU HD13 H 1.065 -1.744 2.013 1.00 . A A . 75 LEU HD13 1 1 2 724 1 1 18 LEU HD21 H 1.791 -1.998 -0.353 1.00 . A A . 75 LEU HD21 1 1 2 725 1 1 18 LEU HD22 H 2.863 -0.797 -1.072 1.00 . A A . 75 LEU HD22 1 1 2 726 1 1 18 LEU HD23 H 1.168 -0.407 -0.786 1.00 . A A . 75 LEU HD23 1 1 2 727 1 1 18 LEU HG H 3.232 -0.986 1.330 1.00 . A A . 75 LEU HG 1 1 2 728 1 1 18 LEU N N 2.283 3.247 -0.074 1.00 . A A . 75 LEU N 1 1 2 729 1 1 18 LEU O O -0.534 1.669 1.205 1.00 . A A . 75 LEU O 1 1 2 730 1 1 19 ALA C C -1.399 4.315 2.352 1.00 . A A . 76 ALA C 1 1 2 731 1 1 19 ALA CA C -0.294 3.620 3.115 1.00 . A A . 76 ALA CA 1 1 2 732 1 1 19 ALA CB C 0.255 4.519 4.215 1.00 . A A . 76 ALA CB 1 1 2 733 1 1 19 ALA H H 1.642 3.639 2.253 1.00 . A A . 76 ALA H 1 1 2 734 1 1 19 ALA HA H -0.709 2.726 3.571 1.00 . A A . 76 ALA HA 1 1 2 735 1 1 19 ALA HB1 H 0.584 5.455 3.785 1.00 . A A . 76 ALA HB1 1 1 2 736 1 1 19 ALA HB2 H 1.090 4.032 4.696 1.00 . A A . 76 ALA HB2 1 1 2 737 1 1 19 ALA HB3 H -0.519 4.710 4.943 1.00 . A A . 76 ALA HB3 1 1 2 738 1 1 19 ALA N N 0.757 3.214 2.196 1.00 . A A . 76 ALA N 1 1 2 739 1 1 19 ALA O O -2.575 4.143 2.664 1.00 . A A . 76 ALA O 1 1 2 740 1 1 20 ASN C C -2.809 4.597 -0.249 1.00 . A A . 77 ASN C 1 1 2 741 1 1 20 ASN CA C -2.021 5.692 0.460 1.00 . A A . 77 ASN CA 1 1 2 742 1 1 20 ASN CB C -1.353 6.609 -0.569 1.00 . A A . 77 ASN CB 1 1 2 743 1 1 20 ASN CG C -2.358 7.325 -1.453 1.00 . A A . 77 ASN CG 1 1 2 744 1 1 20 ASN H H -0.055 5.241 1.160 1.00 . A A . 77 ASN H 1 1 2 745 1 1 20 ASN HA H -2.695 6.271 1.075 1.00 . A A . 77 ASN HA 1 1 2 746 1 1 20 ASN HB2 H -0.765 7.351 -0.049 1.00 . A A . 77 ASN HB2 1 1 2 747 1 1 20 ASN HB3 H -0.704 6.019 -1.200 1.00 . A A . 77 ASN HB3 1 1 2 748 1 1 20 ASN HD21 H -3.644 7.447 0.054 1.00 . A A . 77 ASN HD21 1 1 2 749 1 1 20 ASN HD22 H -4.182 8.124 -1.460 1.00 . A A . 77 ASN HD22 1 1 2 750 1 1 20 ASN N N -1.024 5.080 1.330 1.00 . A A . 77 ASN N 1 1 2 751 1 1 20 ASN ND2 N -3.506 7.667 -0.895 1.00 . A A . 77 ASN ND2 1 1 2 752 1 1 20 ASN O O -4.033 4.656 -0.364 1.00 . A A . 77 ASN O 1 1 2 753 1 1 20 ASN OD1 O -2.091 7.590 -2.625 1.00 . A A . 77 ASN OD1 1 1 2 754 1 1 21 HIS C C -3.681 1.727 -0.490 1.00 . A A . 78 HIS C 1 1 2 755 1 1 21 HIS CA C -2.629 2.417 -1.353 1.00 . A A . 78 HIS CA 1 1 2 756 1 1 21 HIS CB C -1.479 1.451 -1.639 1.00 . A A . 78 HIS CB 1 1 2 757 1 1 21 HIS CD2 C -2.268 -0.994 -1.785 1.00 . A A . 78 HIS CD2 1 1 2 758 1 1 21 HIS CE1 C -2.164 -1.277 -3.927 1.00 . A A . 78 HIS CE1 1 1 2 759 1 1 21 HIS CG C -1.867 0.181 -2.318 1.00 . A A . 78 HIS CG 1 1 2 760 1 1 21 HIS H H -1.102 3.629 -0.559 1.00 . A A . 78 HIS H 1 1 2 761 1 1 21 HIS HA H -3.071 2.729 -2.283 1.00 . A A . 78 HIS HA 1 1 2 762 1 1 21 HIS HB2 H -0.753 1.947 -2.262 1.00 . A A . 78 HIS HB2 1 1 2 763 1 1 21 HIS HB3 H -1.010 1.187 -0.697 1.00 . A A . 78 HIS HB3 1 1 2 764 1 1 21 HIS HD1 H -1.565 0.658 -4.353 1.00 . A A . 78 HIS HD1 1 1 2 765 1 1 21 HIS HD2 H -2.428 -1.190 -0.734 1.00 . A A . 78 HIS HD2 1 1 2 766 1 1 21 HIS HE1 H -2.208 -1.716 -4.913 1.00 . A A . 78 HIS HE1 1 1 2 767 1 1 21 HIS N N -2.076 3.586 -0.685 1.00 . A A . 78 HIS N 1 1 2 768 1 1 21 HIS ND1 N -1.811 -0.015 -3.679 1.00 . A A . 78 HIS ND1 1 1 2 769 1 1 21 HIS NE2 N -2.453 -1.920 -2.805 1.00 . A A . 78 HIS NE2 1 1 2 770 1 1 21 HIS O O -4.752 1.361 -0.968 1.00 . A A . 78 HIS O 1 1 2 771 1 1 22 ILE C C -5.351 1.748 2.214 1.00 . A A . 79 ILE C 1 1 2 772 1 1 22 ILE CA C -4.253 0.832 1.678 1.00 . A A . 79 ILE CA 1 1 2 773 1 1 22 ILE CB C -3.452 0.157 2.796 1.00 . A A . 79 ILE CB 1 1 2 774 1 1 22 ILE CD1 C -1.766 -1.717 3.125 1.00 . A A . 79 ILE CD1 1 1 2 775 1 1 22 ILE CG1 C -2.619 -0.953 2.160 1.00 . A A . 79 ILE CG1 1 1 2 776 1 1 22 ILE CG2 C -4.364 -0.396 3.877 1.00 . A A . 79 ILE CG2 1 1 2 777 1 1 22 ILE H H -2.481 1.820 1.101 1.00 . A A . 79 ILE H 1 1 2 778 1 1 22 ILE HA H -4.732 0.045 1.110 1.00 . A A . 79 ILE HA 1 1 2 779 1 1 22 ILE HB H -2.795 0.886 3.242 1.00 . A A . 79 ILE HB 1 1 2 780 1 1 22 ILE HD11 H -1.060 -1.040 3.585 1.00 . A A . 79 ILE HD11 1 1 2 781 1 1 22 ILE HD12 H -1.235 -2.495 2.584 1.00 . A A . 79 ILE HD12 1 1 2 782 1 1 22 ILE HD13 H -2.392 -2.161 3.881 1.00 . A A . 79 ILE HD13 1 1 2 783 1 1 22 ILE HG12 H -3.281 -1.659 1.681 1.00 . A A . 79 ILE HG12 1 1 2 784 1 1 22 ILE HG13 H -1.965 -0.516 1.413 1.00 . A A . 79 ILE HG13 1 1 2 785 1 1 22 ILE HG21 H -3.766 -0.827 4.665 1.00 . A A . 79 ILE HG21 1 1 2 786 1 1 22 ILE HG22 H -5.002 -1.155 3.450 1.00 . A A . 79 ILE HG22 1 1 2 787 1 1 22 ILE HG23 H -4.969 0.402 4.277 1.00 . A A . 79 ILE HG23 1 1 2 788 1 1 22 ILE N N -3.359 1.522 0.774 1.00 . A A . 79 ILE N 1 1 2 789 1 1 22 ILE O O -6.461 1.294 2.479 1.00 . A A . 79 ILE O 1 1 2 790 1 1 23 ARG C C -7.108 4.013 1.427 1.00 . A A . 80 ARG C 1 1 2 791 1 1 23 ARG CA C -6.114 4.008 2.584 1.00 . A A . 80 ARG CA 1 1 2 792 1 1 23 ARG CB C -5.492 5.377 2.745 1.00 . A A . 80 ARG CB 1 1 2 793 1 1 23 ARG CD C -6.327 5.774 5.084 1.00 . A A . 80 ARG CD 1 1 2 794 1 1 23 ARG CG C -5.104 5.702 4.173 1.00 . A A . 80 ARG CG 1 1 2 795 1 1 23 ARG CZ C -8.681 6.460 4.739 1.00 . A A . 80 ARG CZ 1 1 2 796 1 1 23 ARG H H -4.130 3.358 2.331 1.00 . A A . 80 ARG H 1 1 2 797 1 1 23 ARG HA H -6.625 3.739 3.494 1.00 . A A . 80 ARG HA 1 1 2 798 1 1 23 ARG HB2 H -4.602 5.429 2.134 1.00 . A A . 80 ARG HB2 1 1 2 799 1 1 23 ARG HB3 H -6.187 6.108 2.402 1.00 . A A . 80 ARG HB3 1 1 2 800 1 1 23 ARG HD2 H -6.737 4.780 5.193 1.00 . A A . 80 ARG HD2 1 1 2 801 1 1 23 ARG HD3 H -6.014 6.139 6.049 1.00 . A A . 80 ARG HD3 1 1 2 802 1 1 23 ARG HE H -7.080 7.431 4.023 1.00 . A A . 80 ARG HE 1 1 2 803 1 1 23 ARG HG2 H -4.445 4.928 4.539 1.00 . A A . 80 ARG HG2 1 1 2 804 1 1 23 ARG HG3 H -4.592 6.646 4.184 1.00 . A A . 80 ARG HG3 1 1 2 805 1 1 23 ARG HH11 H -8.437 4.858 5.960 1.00 . A A . 80 ARG HH11 1 1 2 806 1 1 23 ARG HH12 H -10.091 5.305 5.636 1.00 . A A . 80 ARG HH12 1 1 2 807 1 1 23 ARG HH21 H -9.252 8.060 3.625 1.00 . A A . 80 ARG HH21 1 1 2 808 1 1 23 ARG HH22 H -10.552 7.119 4.297 1.00 . A A . 80 ARG HH22 1 1 2 809 1 1 23 ARG N N -5.066 3.041 2.349 1.00 . A A . 80 ARG N 1 1 2 810 1 1 23 ARG NE N -7.371 6.660 4.555 1.00 . A A . 80 ARG NE 1 1 2 811 1 1 23 ARG NH1 N -9.102 5.464 5.507 1.00 . A A . 80 ARG NH1 1 1 2 812 1 1 23 ARG NH2 N -9.564 7.278 4.181 1.00 . A A . 80 ARG NH2 1 1 2 813 1 1 23 ARG O O -8.272 4.376 1.586 1.00 . A A . 80 ARG O 1 1 2 814 1 1 24 HIS C C -8.317 2.204 -0.827 1.00 . A A . 81 HIS C 1 1 2 815 1 1 24 HIS CA C -7.455 3.468 -0.928 1.00 . A A . 81 HIS CA 1 1 2 816 1 1 24 HIS CB C -6.545 3.411 -2.161 1.00 . A A . 81 HIS CB 1 1 2 817 1 1 24 HIS CD2 C -8.495 3.975 -3.784 1.00 . A A . 81 HIS CD2 1 1 2 818 1 1 24 HIS CE1 C -7.315 4.183 -5.613 1.00 . A A . 81 HIS CE1 1 1 2 819 1 1 24 HIS CG C -7.201 3.746 -3.463 1.00 . A A . 81 HIS CG 1 1 2 820 1 1 24 HIS H H -5.673 3.375 0.199 1.00 . A A . 81 HIS H 1 1 2 821 1 1 24 HIS HA H -8.098 4.333 -0.993 1.00 . A A . 81 HIS HA 1 1 2 822 1 1 24 HIS HB2 H -5.732 4.107 -2.022 1.00 . A A . 81 HIS HB2 1 1 2 823 1 1 24 HIS HB3 H -6.138 2.412 -2.246 1.00 . A A . 81 HIS HB3 1 1 2 824 1 1 24 HIS HD1 H -5.511 3.772 -4.728 1.00 . A A . 81 HIS HD1 1 1 2 825 1 1 24 HIS HD2 H -9.338 3.950 -3.107 1.00 . A A . 81 HIS HD2 1 1 2 826 1 1 24 HIS HE1 H -7.035 4.346 -6.644 1.00 . A A . 81 HIS HE1 1 1 2 827 1 1 24 HIS HE2 H -9.357 4.207 -5.681 1.00 . A A . 81 HIS HE2 1 1 2 828 1 1 24 HIS N N -6.628 3.595 0.262 1.00 . A A . 81 HIS N 1 1 2 829 1 1 24 HIS ND1 N -6.490 3.883 -4.631 1.00 . A A . 81 HIS ND1 1 1 2 830 1 1 24 HIS NE2 N -8.541 4.243 -5.129 1.00 . A A . 81 HIS NE2 1 1 2 831 1 1 24 HIS O O -9.191 1.958 -1.655 1.00 . A A . 81 HIS O 1 1 2 832 1 1 25 HIS C C -9.900 0.455 1.512 1.00 . A A . 82 HIS C 1 1 2 833 1 1 25 HIS CA C -8.834 0.196 0.462 1.00 . A A . 82 HIS CA 1 1 2 834 1 1 25 HIS CB C -7.931 -0.948 0.932 1.00 . A A . 82 HIS CB 1 1 2 835 1 1 25 HIS CD2 C -6.290 -1.436 -0.999 1.00 . A A . 82 HIS CD2 1 1 2 836 1 1 25 HIS CE1 C -6.900 -3.447 -1.494 1.00 . A A . 82 HIS CE1 1 1 2 837 1 1 25 HIS CG C -7.316 -1.741 -0.174 1.00 . A A . 82 HIS CG 1 1 2 838 1 1 25 HIS H H -7.327 1.636 0.814 1.00 . A A . 82 HIS H 1 1 2 839 1 1 25 HIS HA H -9.316 -0.088 -0.456 1.00 . A A . 82 HIS HA 1 1 2 840 1 1 25 HIS HB2 H -7.126 -0.538 1.528 1.00 . A A . 82 HIS HB2 1 1 2 841 1 1 25 HIS HB3 H -8.511 -1.622 1.542 1.00 . A A . 82 HIS HB3 1 1 2 842 1 1 25 HIS HD1 H -8.447 -3.526 -0.096 1.00 . A A . 82 HIS HD1 1 1 2 843 1 1 25 HIS HD2 H -5.747 -0.503 -1.016 1.00 . A A . 82 HIS HD2 1 1 2 844 1 1 25 HIS HE1 H -6.966 -4.421 -1.956 1.00 . A A . 82 HIS HE1 1 1 2 845 1 1 25 HIS N N -8.059 1.403 0.203 1.00 . A A . 82 HIS N 1 1 2 846 1 1 25 HIS ND1 N -7.700 -3.021 -0.503 1.00 . A A . 82 HIS ND1 1 1 2 847 1 1 25 HIS NE2 N -6.025 -2.520 -1.829 1.00 . A A . 82 HIS NE2 1 1 2 848 1 1 25 HIS O O -10.767 -0.384 1.754 1.00 . A A . 82 HIS O 1 1 2 849 1 1 26 ASP C C -11.776 2.996 2.655 1.00 . A A . 83 ASP C 1 1 2 850 1 1 26 ASP CA C -10.778 1.974 3.177 1.00 . A A . 83 ASP CA 1 1 2 851 1 1 26 ASP CB C -10.067 2.536 4.411 1.00 . A A . 83 ASP CB 1 1 2 852 1 1 26 ASP CG C -9.288 1.491 5.177 1.00 . A A . 83 ASP CG 1 1 2 853 1 1 26 ASP H H -9.131 2.251 1.878 1.00 . A A . 83 ASP H 1 1 2 854 1 1 26 ASP HA H -11.312 1.077 3.456 1.00 . A A . 83 ASP HA 1 1 2 855 1 1 26 ASP HB2 H -9.378 3.310 4.099 1.00 . A A . 83 ASP HB2 1 1 2 856 1 1 26 ASP HB3 H -10.806 2.965 5.076 1.00 . A A . 83 ASP HB3 1 1 2 857 1 1 26 ASP N N -9.828 1.614 2.136 1.00 . A A . 83 ASP N 1 1 2 858 1 1 26 ASP O O -11.615 4.197 2.961 1.00 . A A . 83 ASP O 1 1 2 859 1 1 26 ASP OXT O -12.704 2.601 1.923 1.00 . A A . 83 ASP OXT 1 1 2 860 1 1 26 ASP OD1 O -9.829 0.390 5.419 1.00 . A A . 83 ASP OD1 1 1 2 861 1 1 26 ASP OD2 O -8.133 1.772 5.564 1.00 . A A . 83 ASP OD2 1 1 2 862 2 2 1 ZN ZN ZN -4.106 -3.006 -2.148 1.00 . B A . 101 ZN ZN 1 1 3 863 1 1 1 LYS C C 9.835 -4.256 0.972 1.00 . A A . 58 LYS C 1 1 3 864 1 1 1 LYS CA C 10.492 -4.300 -0.402 1.00 . A A . 58 LYS CA 1 1 3 865 1 1 1 LYS CB C 9.450 -4.123 -1.508 1.00 . A A . 58 LYS CB 1 1 3 866 1 1 1 LYS CD C 8.989 -3.945 -3.973 1.00 . A A . 58 LYS CD 1 1 3 867 1 1 1 LYS CE C 9.547 -4.198 -5.365 1.00 . A A . 58 LYS CE 1 1 3 868 1 1 1 LYS CG C 10.056 -4.101 -2.903 1.00 . A A . 58 LYS CG 1 1 3 869 1 1 1 LYS H1 H 10.546 -6.384 -0.465 1.00 . A A . 58 LYS H1 1 1 3 870 1 1 1 LYS H2 H 11.957 -5.671 0.146 1.00 . A A . 58 LYS H2 1 1 3 871 1 1 1 LYS H3 H 11.646 -5.636 -1.519 1.00 . A A . 58 LYS H3 1 1 3 872 1 1 1 LYS HA H 11.215 -3.500 -0.466 1.00 . A A . 58 LYS HA 1 1 3 873 1 1 1 LYS HB2 H 8.743 -4.938 -1.457 1.00 . A A . 58 LYS HB2 1 1 3 874 1 1 1 LYS HB3 H 8.926 -3.192 -1.351 1.00 . A A . 58 LYS HB3 1 1 3 875 1 1 1 LYS HD2 H 8.197 -4.653 -3.783 1.00 . A A . 58 LYS HD2 1 1 3 876 1 1 1 LYS HD3 H 8.593 -2.941 -3.931 1.00 . A A . 58 LYS HD3 1 1 3 877 1 1 1 LYS HE2 H 10.084 -5.135 -5.356 1.00 . A A . 58 LYS HE2 1 1 3 878 1 1 1 LYS HE3 H 8.723 -4.265 -6.060 1.00 . A A . 58 LYS HE3 1 1 3 879 1 1 1 LYS HG2 H 10.741 -3.270 -2.973 1.00 . A A . 58 LYS HG2 1 1 3 880 1 1 1 LYS HG3 H 10.588 -5.025 -3.070 1.00 . A A . 58 LYS HG3 1 1 3 881 1 1 1 LYS HZ1 H 11.288 -3.050 -5.170 1.00 . A A . 58 LYS HZ1 1 1 3 882 1 1 1 LYS HZ2 H 9.974 -2.213 -5.840 1.00 . A A . 58 LYS HZ2 1 1 3 883 1 1 1 LYS HZ3 H 10.819 -3.339 -6.776 1.00 . A A . 58 LYS HZ3 1 1 3 884 1 1 1 LYS N N 11.209 -5.584 -0.574 1.00 . A A . 58 LYS N 1 1 3 885 1 1 1 LYS NZ N 10.470 -3.125 -5.816 1.00 . A A . 58 LYS NZ 1 1 3 886 1 1 1 LYS O O 9.230 -5.235 1.409 1.00 . A A . 58 LYS O 1 1 3 887 1 1 2 PRO C C 8.054 -2.910 3.301 1.00 . A A . 59 PRO C 1 1 3 888 1 1 2 PRO CA C 9.560 -2.997 3.078 1.00 . A A . 59 PRO CA 1 1 3 889 1 1 2 PRO CB C 10.235 -1.689 3.533 1.00 . A A . 59 PRO CB 1 1 3 890 1 1 2 PRO CD C 10.464 -1.842 1.160 1.00 . A A . 59 PRO CD 1 1 3 891 1 1 2 PRO CG C 11.080 -1.240 2.384 1.00 . A A . 59 PRO CG 1 1 3 892 1 1 2 PRO HA H 9.953 -3.819 3.659 1.00 . A A . 59 PRO HA 1 1 3 893 1 1 2 PRO HB2 H 9.473 -0.957 3.768 1.00 . A A . 59 PRO HB2 1 1 3 894 1 1 2 PRO HB3 H 10.836 -1.883 4.410 1.00 . A A . 59 PRO HB3 1 1 3 895 1 1 2 PRO HD2 H 9.665 -1.215 0.787 1.00 . A A . 59 PRO HD2 1 1 3 896 1 1 2 PRO HD3 H 11.208 -2.004 0.397 1.00 . A A . 59 PRO HD3 1 1 3 897 1 1 2 PRO HG2 H 11.068 -0.162 2.320 1.00 . A A . 59 PRO HG2 1 1 3 898 1 1 2 PRO HG3 H 12.092 -1.599 2.509 1.00 . A A . 59 PRO HG3 1 1 3 899 1 1 2 PRO N N 9.947 -3.115 1.671 1.00 . A A . 59 PRO N 1 1 3 900 1 1 2 PRO O O 7.562 -3.252 4.379 1.00 . A A . 59 PRO O 1 1 3 901 1 1 3 TYR C C 5.079 -2.905 1.366 1.00 . A A . 60 TYR C 1 1 3 902 1 1 3 TYR CA C 5.888 -2.237 2.467 1.00 . A A . 60 TYR CA 1 1 3 903 1 1 3 TYR CB C 5.584 -0.741 2.526 1.00 . A A . 60 TYR CB 1 1 3 904 1 1 3 TYR CD1 C 5.364 -0.031 4.937 1.00 . A A . 60 TYR CD1 1 1 3 905 1 1 3 TYR CD2 C 7.382 0.499 3.782 1.00 . A A . 60 TYR CD2 1 1 3 906 1 1 3 TYR CE1 C 5.850 0.584 6.075 1.00 . A A . 60 TYR CE1 1 1 3 907 1 1 3 TYR CE2 C 7.874 1.117 4.915 1.00 . A A . 60 TYR CE2 1 1 3 908 1 1 3 TYR CG C 6.121 -0.083 3.773 1.00 . A A . 60 TYR CG 1 1 3 909 1 1 3 TYR CZ C 7.116 1.100 6.082 1.00 . A A . 60 TYR CZ 1 1 3 910 1 1 3 TYR H H 7.738 -2.264 1.434 1.00 . A A . 60 TYR H 1 1 3 911 1 1 3 TYR HA H 5.608 -2.681 3.411 1.00 . A A . 60 TYR HA 1 1 3 912 1 1 3 TYR HB2 H 6.030 -0.252 1.673 1.00 . A A . 60 TYR HB2 1 1 3 913 1 1 3 TYR HB3 H 4.514 -0.594 2.505 1.00 . A A . 60 TYR HB3 1 1 3 914 1 1 3 TYR HD1 H 4.381 -0.481 4.945 1.00 . A A . 60 TYR HD1 1 1 3 915 1 1 3 TYR HD2 H 7.982 0.466 2.882 1.00 . A A . 60 TYR HD2 1 1 3 916 1 1 3 TYR HE1 H 5.247 0.614 6.971 1.00 . A A . 60 TYR HE1 1 1 3 917 1 1 3 TYR HE2 H 8.856 1.564 4.902 1.00 . A A . 60 TYR HE2 1 1 3 918 1 1 3 TYR HH H 7.345 1.251 7.964 1.00 . A A . 60 TYR HH 1 1 3 919 1 1 3 TYR N N 7.317 -2.454 2.298 1.00 . A A . 60 TYR N 1 1 3 920 1 1 3 TYR O O 5.274 -2.644 0.179 1.00 . A A . 60 TYR O 1 1 3 921 1 1 3 TYR OH O 7.587 1.774 7.190 1.00 . A A . 60 TYR OH 1 1 3 922 1 1 4 VAL C C 1.871 -4.433 1.393 1.00 . A A . 61 VAL C 1 1 3 923 1 1 4 VAL CA C 3.296 -4.476 0.861 1.00 . A A . 61 VAL CA 1 1 3 924 1 1 4 VAL CB C 3.728 -5.947 0.681 1.00 . A A . 61 VAL CB 1 1 3 925 1 1 4 VAL CG1 C 2.807 -6.663 -0.285 1.00 . A A . 61 VAL CG1 1 1 3 926 1 1 4 VAL CG2 C 5.164 -6.028 0.200 1.00 . A A . 61 VAL CG2 1 1 3 927 1 1 4 VAL H H 4.095 -3.971 2.735 1.00 . A A . 61 VAL H 1 1 3 928 1 1 4 VAL HA H 3.336 -3.980 -0.098 1.00 . A A . 61 VAL HA 1 1 3 929 1 1 4 VAL HB H 3.664 -6.442 1.638 1.00 . A A . 61 VAL HB 1 1 3 930 1 1 4 VAL HG11 H 1.790 -6.560 0.059 1.00 . A A . 61 VAL HG11 1 1 3 931 1 1 4 VAL HG12 H 3.072 -7.708 -0.325 1.00 . A A . 61 VAL HG12 1 1 3 932 1 1 4 VAL HG13 H 2.903 -6.224 -1.269 1.00 . A A . 61 VAL HG13 1 1 3 933 1 1 4 VAL HG21 H 5.253 -5.503 -0.740 1.00 . A A . 61 VAL HG21 1 1 3 934 1 1 4 VAL HG22 H 5.441 -7.062 0.064 1.00 . A A . 61 VAL HG22 1 1 3 935 1 1 4 VAL HG23 H 5.813 -5.573 0.929 1.00 . A A . 61 VAL HG23 1 1 3 936 1 1 4 VAL N N 4.176 -3.782 1.777 1.00 . A A . 61 VAL N 1 1 3 937 1 1 4 VAL O O 1.652 -4.512 2.603 1.00 . A A . 61 VAL O 1 1 3 938 1 1 5 CYS C C -0.878 -5.732 1.250 1.00 . A A . 62 CYS C 1 1 3 939 1 1 5 CYS CA C -0.491 -4.314 0.885 1.00 . A A . 62 CYS CA 1 1 3 940 1 1 5 CYS CB C -1.386 -3.815 -0.247 1.00 . A A . 62 CYS CB 1 1 3 941 1 1 5 CYS H H 1.149 -4.155 -0.448 1.00 . A A . 62 CYS H 1 1 3 942 1 1 5 CYS HA H -0.617 -3.680 1.749 1.00 . A A . 62 CYS HA 1 1 3 943 1 1 5 CYS HB2 H -1.101 -2.814 -0.508 1.00 . A A . 62 CYS HB2 1 1 3 944 1 1 5 CYS HB3 H -1.246 -4.456 -1.099 1.00 . A A . 62 CYS HB3 1 1 3 945 1 1 5 CYS N N 0.909 -4.281 0.498 1.00 . A A . 62 CYS N 1 1 3 946 1 1 5 CYS O O -1.107 -6.562 0.375 1.00 . A A . 62 CYS O 1 1 3 947 1 1 5 CYS SG S -3.155 -3.776 0.111 1.00 . A A . 62 CYS SG 1 1 3 948 1 1 6 GLU C C -2.742 -7.650 2.459 1.00 . A A . 63 GLU C 1 1 3 949 1 1 6 GLU CA C -1.382 -7.287 3.054 1.00 . A A . 63 GLU CA 1 1 3 950 1 1 6 GLU CB C -1.485 -7.195 4.577 1.00 . A A . 63 GLU CB 1 1 3 951 1 1 6 GLU CD C -2.479 -8.153 6.673 1.00 . A A . 63 GLU CD 1 1 3 952 1 1 6 GLU CG C -2.056 -8.430 5.249 1.00 . A A . 63 GLU CG 1 1 3 953 1 1 6 GLU H H -0.628 -5.319 3.179 1.00 . A A . 63 GLU H 1 1 3 954 1 1 6 GLU HA H -0.659 -8.040 2.787 1.00 . A A . 63 GLU HA 1 1 3 955 1 1 6 GLU HB2 H -0.499 -7.023 4.978 1.00 . A A . 63 GLU HB2 1 1 3 956 1 1 6 GLU HB3 H -2.115 -6.353 4.829 1.00 . A A . 63 GLU HB3 1 1 3 957 1 1 6 GLU HG2 H -2.916 -8.769 4.690 1.00 . A A . 63 GLU HG2 1 1 3 958 1 1 6 GLU HG3 H -1.301 -9.202 5.255 1.00 . A A . 63 GLU HG3 1 1 3 959 1 1 6 GLU N N -0.926 -6.002 2.542 1.00 . A A . 63 GLU N 1 1 3 960 1 1 6 GLU O O -3.068 -8.824 2.272 1.00 . A A . 63 GLU O 1 1 3 961 1 1 6 GLU OE1 O -3.633 -7.729 6.880 1.00 . A A . 63 GLU OE1 1 1 3 962 1 1 6 GLU OE2 O -1.662 -8.343 7.593 1.00 . A A . 63 GLU OE2 1 1 3 963 1 1 7 ARG C C -5.055 -7.203 0.279 1.00 . A A . 64 ARG C 1 1 3 964 1 1 7 ARG CA C -4.887 -6.767 1.740 1.00 . A A . 64 ARG CA 1 1 3 965 1 1 7 ARG CB C -5.619 -5.458 2.020 1.00 . A A . 64 ARG CB 1 1 3 966 1 1 7 ARG CD C -6.129 -3.692 3.756 1.00 . A A . 64 ARG CD 1 1 3 967 1 1 7 ARG CG C -5.337 -4.939 3.419 1.00 . A A . 64 ARG CG 1 1 3 968 1 1 7 ARG CZ C -6.615 -2.527 5.885 1.00 . A A . 64 ARG CZ 1 1 3 969 1 1 7 ARG H H -3.125 -5.720 2.176 1.00 . A A . 64 ARG H 1 1 3 970 1 1 7 ARG HA H -5.316 -7.531 2.369 1.00 . A A . 64 ARG HA 1 1 3 971 1 1 7 ARG HB2 H -5.303 -4.713 1.303 1.00 . A A . 64 ARG HB2 1 1 3 972 1 1 7 ARG HB3 H -6.680 -5.620 1.923 1.00 . A A . 64 ARG HB3 1 1 3 973 1 1 7 ARG HD2 H -5.920 -2.932 3.013 1.00 . A A . 64 ARG HD2 1 1 3 974 1 1 7 ARG HD3 H -7.184 -3.936 3.745 1.00 . A A . 64 ARG HD3 1 1 3 975 1 1 7 ARG HE H -4.845 -3.331 5.389 1.00 . A A . 64 ARG HE 1 1 3 976 1 1 7 ARG HG2 H -5.587 -5.711 4.129 1.00 . A A . 64 ARG HG2 1 1 3 977 1 1 7 ARG HG3 H -4.282 -4.713 3.496 1.00 . A A . 64 ARG HG3 1 1 3 978 1 1 7 ARG HH11 H -8.207 -2.684 4.630 1.00 . A A . 64 ARG HH11 1 1 3 979 1 1 7 ARG HH12 H -8.513 -1.828 6.119 1.00 . A A . 64 ARG HH12 1 1 3 980 1 1 7 ARG HH21 H -5.256 -2.253 7.373 1.00 . A A . 64 ARG HH21 1 1 3 981 1 1 7 ARG HH22 H -6.841 -1.605 7.678 1.00 . A A . 64 ARG HH22 1 1 3 982 1 1 7 ARG N N -3.505 -6.618 2.132 1.00 . A A . 64 ARG N 1 1 3 983 1 1 7 ARG NE N -5.772 -3.178 5.081 1.00 . A A . 64 ARG NE 1 1 3 984 1 1 7 ARG NH1 N -7.877 -2.335 5.514 1.00 . A A . 64 ARG NH1 1 1 3 985 1 1 7 ARG NH2 N -6.205 -2.093 7.071 1.00 . A A . 64 ARG NH2 1 1 3 986 1 1 7 ARG O O -5.957 -7.982 -0.014 1.00 . A A . 64 ARG O 1 1 3 987 1 1 8 CYS C C -3.041 -7.567 -2.685 1.00 . A A . 65 CYS C 1 1 3 988 1 1 8 CYS CA C -4.373 -7.182 -2.035 1.00 . A A . 65 CYS CA 1 1 3 989 1 1 8 CYS CB C -5.101 -6.133 -2.880 1.00 . A A . 65 CYS CB 1 1 3 990 1 1 8 CYS H H -3.504 -6.081 -0.415 1.00 . A A . 65 CYS H 1 1 3 991 1 1 8 CYS HA H -4.990 -8.068 -2.002 1.00 . A A . 65 CYS HA 1 1 3 992 1 1 8 CYS HB2 H -5.444 -6.602 -3.790 1.00 . A A . 65 CYS HB2 1 1 3 993 1 1 8 CYS HB3 H -5.956 -5.765 -2.325 1.00 . A A . 65 CYS HB3 1 1 3 994 1 1 8 CYS N N -4.215 -6.729 -0.651 1.00 . A A . 65 CYS N 1 1 3 995 1 1 8 CYS O O -2.975 -7.814 -3.887 1.00 . A A . 65 CYS O 1 1 3 996 1 1 8 CYS SG S -4.095 -4.714 -3.352 1.00 . A A . 65 CYS SG 1 1 3 997 1 1 9 GLY C C 0.115 -7.026 -3.114 1.00 . A A . 66 GLY C 1 1 3 998 1 1 9 GLY CA C -0.698 -8.080 -2.382 1.00 . A A . 66 GLY CA 1 1 3 999 1 1 9 GLY H H -2.065 -7.301 -0.967 1.00 . A A . 66 GLY H 1 1 3 1000 1 1 9 GLY HA2 H -0.119 -8.432 -1.538 1.00 . A A . 66 GLY HA2 1 1 3 1001 1 1 9 GLY HA3 H -0.874 -8.911 -3.055 1.00 . A A . 66 GLY HA3 1 1 3 1002 1 1 9 GLY N N -1.980 -7.600 -1.895 1.00 . A A . 66 GLY N 1 1 3 1003 1 1 9 GLY O O 1.327 -7.173 -3.266 1.00 . A A . 66 GLY O 1 1 3 1004 1 1 10 LYS C C 1.023 -4.084 -3.400 1.00 . A A . 67 LYS C 1 1 3 1005 1 1 10 LYS CA C 0.150 -4.921 -4.328 1.00 . A A . 67 LYS CA 1 1 3 1006 1 1 10 LYS CB C -0.868 -4.049 -5.054 1.00 . A A . 67 LYS CB 1 1 3 1007 1 1 10 LYS CD C -2.940 -4.068 -6.473 1.00 . A A . 67 LYS CD 1 1 3 1008 1 1 10 LYS CE C -3.717 -4.824 -7.536 1.00 . A A . 67 LYS CE 1 1 3 1009 1 1 10 LYS CG C -1.685 -4.819 -6.077 1.00 . A A . 67 LYS CG 1 1 3 1010 1 1 10 LYS H H -1.502 -5.878 -3.393 1.00 . A A . 67 LYS H 1 1 3 1011 1 1 10 LYS HA H 0.785 -5.405 -5.058 1.00 . A A . 67 LYS HA 1 1 3 1012 1 1 10 LYS HB2 H -1.545 -3.619 -4.328 1.00 . A A . 67 LYS HB2 1 1 3 1013 1 1 10 LYS HB3 H -0.347 -3.253 -5.564 1.00 . A A . 67 LYS HB3 1 1 3 1014 1 1 10 LYS HD2 H -3.564 -3.948 -5.601 1.00 . A A . 67 LYS HD2 1 1 3 1015 1 1 10 LYS HD3 H -2.663 -3.099 -6.860 1.00 . A A . 67 LYS HD3 1 1 3 1016 1 1 10 LYS HE2 H -3.926 -5.819 -7.173 1.00 . A A . 67 LYS HE2 1 1 3 1017 1 1 10 LYS HE3 H -4.643 -4.308 -7.717 1.00 . A A . 67 LYS HE3 1 1 3 1018 1 1 10 LYS HG2 H -1.087 -4.975 -6.958 1.00 . A A . 67 LYS HG2 1 1 3 1019 1 1 10 LYS HG3 H -1.966 -5.773 -5.655 1.00 . A A . 67 LYS HG3 1 1 3 1020 1 1 10 LYS HZ1 H -2.020 -5.338 -8.645 1.00 . A A . 67 LYS HZ1 1 1 3 1021 1 1 10 LYS HZ2 H -2.840 -3.976 -9.229 1.00 . A A . 67 LYS HZ2 1 1 3 1022 1 1 10 LYS HZ3 H -3.479 -5.523 -9.491 1.00 . A A . 67 LYS HZ3 1 1 3 1023 1 1 10 LYS N N -0.538 -5.965 -3.571 1.00 . A A . 67 LYS N 1 1 3 1024 1 1 10 LYS NZ N -2.961 -4.922 -8.811 1.00 . A A . 67 LYS NZ 1 1 3 1025 1 1 10 LYS O O 0.559 -3.599 -2.372 1.00 . A A . 67 LYS O 1 1 3 1026 1 1 11 ARG C C 3.805 -2.008 -3.392 1.00 . A A . 68 ARG C 1 1 3 1027 1 1 11 ARG CA C 3.262 -3.337 -2.872 1.00 . A A . 68 ARG CA 1 1 3 1028 1 1 11 ARG CB C 4.397 -4.324 -2.672 1.00 . A A . 68 ARG CB 1 1 3 1029 1 1 11 ARG CD C 6.029 -5.890 -3.743 1.00 . A A . 68 ARG CD 1 1 3 1030 1 1 11 ARG CG C 4.941 -4.860 -3.969 1.00 . A A . 68 ARG CG 1 1 3 1031 1 1 11 ARG CZ C 7.663 -7.177 -5.068 1.00 . A A . 68 ARG CZ 1 1 3 1032 1 1 11 ARG H H 2.569 -4.217 -4.649 1.00 . A A . 68 ARG H 1 1 3 1033 1 1 11 ARG HA H 2.787 -3.166 -1.927 1.00 . A A . 68 ARG HA 1 1 3 1034 1 1 11 ARG HB2 H 5.197 -3.829 -2.155 1.00 . A A . 68 ARG HB2 1 1 3 1035 1 1 11 ARG HB3 H 4.044 -5.158 -2.079 1.00 . A A . 68 ARG HB3 1 1 3 1036 1 1 11 ARG HD2 H 6.752 -5.486 -3.051 1.00 . A A . 68 ARG HD2 1 1 3 1037 1 1 11 ARG HD3 H 5.583 -6.780 -3.321 1.00 . A A . 68 ARG HD3 1 1 3 1038 1 1 11 ARG HE H 6.477 -5.728 -5.796 1.00 . A A . 68 ARG HE 1 1 3 1039 1 1 11 ARG HG2 H 4.132 -5.318 -4.517 1.00 . A A . 68 ARG HG2 1 1 3 1040 1 1 11 ARG HG3 H 5.342 -4.032 -4.530 1.00 . A A . 68 ARG HG3 1 1 3 1041 1 1 11 ARG HH11 H 7.407 -7.872 -3.173 1.00 . A A . 68 ARG HH11 1 1 3 1042 1 1 11 ARG HH12 H 8.640 -8.674 -4.108 1.00 . A A . 68 ARG HH12 1 1 3 1043 1 1 11 ARG HH21 H 8.123 -6.771 -7.002 1.00 . A A . 68 ARG HH21 1 1 3 1044 1 1 11 ARG HH22 H 9.070 -8.025 -6.254 1.00 . A A . 68 ARG HH22 1 1 3 1045 1 1 11 ARG N N 2.284 -3.927 -3.762 1.00 . A A . 68 ARG N 1 1 3 1046 1 1 11 ARG NE N 6.712 -6.248 -4.986 1.00 . A A . 68 ARG NE 1 1 3 1047 1 1 11 ARG NH1 N 7.926 -7.966 -4.034 1.00 . A A . 68 ARG NH1 1 1 3 1048 1 1 11 ARG NH2 N 8.329 -7.342 -6.199 1.00 . A A . 68 ARG NH2 1 1 3 1049 1 1 11 ARG O O 3.595 -1.635 -4.550 1.00 . A A . 68 ARG O 1 1 3 1050 1 1 12 PHE C C 6.376 0.130 -1.989 1.00 . A A . 69 PHE C 1 1 3 1051 1 1 12 PHE CA C 5.097 -0.013 -2.779 1.00 . A A . 69 PHE CA 1 1 3 1052 1 1 12 PHE CB C 4.136 1.119 -2.399 1.00 . A A . 69 PHE CB 1 1 3 1053 1 1 12 PHE CD1 C 3.271 2.165 -4.508 1.00 . A A . 69 PHE CD1 1 1 3 1054 1 1 12 PHE CD2 C 1.799 0.792 -3.237 1.00 . A A . 69 PHE CD2 1 1 3 1055 1 1 12 PHE CE1 C 2.266 2.388 -5.428 1.00 . A A . 69 PHE CE1 1 1 3 1056 1 1 12 PHE CE2 C 0.792 1.011 -4.154 1.00 . A A . 69 PHE CE2 1 1 3 1057 1 1 12 PHE CG C 3.049 1.364 -3.403 1.00 . A A . 69 PHE CG 1 1 3 1058 1 1 12 PHE CZ C 1.050 1.825 -5.275 1.00 . A A . 69 PHE CZ 1 1 3 1059 1 1 12 PHE H H 4.704 -1.727 -1.640 1.00 . A A . 69 PHE H 1 1 3 1060 1 1 12 PHE HA H 5.331 0.058 -3.828 1.00 . A A . 69 PHE HA 1 1 3 1061 1 1 12 PHE HB2 H 3.665 0.874 -1.457 1.00 . A A . 69 PHE HB2 1 1 3 1062 1 1 12 PHE HB3 H 4.699 2.038 -2.289 1.00 . A A . 69 PHE HB3 1 1 3 1063 1 1 12 PHE HD1 H 4.245 2.616 -4.650 1.00 . A A . 69 PHE HD1 1 1 3 1064 1 1 12 PHE HD2 H 1.615 0.165 -2.378 1.00 . A A . 69 PHE HD2 1 1 3 1065 1 1 12 PHE HE1 H 2.451 3.016 -6.288 1.00 . A A . 69 PHE HE1 1 1 3 1066 1 1 12 PHE HE2 H -0.178 0.557 -4.010 1.00 . A A . 69 PHE HE2 1 1 3 1067 1 1 12 PHE HZ H 0.271 2.004 -6.002 1.00 . A A . 69 PHE HZ 1 1 3 1068 1 1 12 PHE N N 4.523 -1.322 -2.512 1.00 . A A . 69 PHE N 1 1 3 1069 1 1 12 PHE O O 6.495 -0.357 -0.866 1.00 . A A . 69 PHE O 1 1 3 1070 1 1 13 VAL C C 8.504 2.087 -0.915 1.00 . A A . 70 VAL C 1 1 3 1071 1 1 13 VAL CA C 8.611 1.020 -2.000 1.00 . A A . 70 VAL CA 1 1 3 1072 1 1 13 VAL CB C 9.608 1.447 -3.094 1.00 . A A . 70 VAL CB 1 1 3 1073 1 1 13 VAL CG1 C 10.830 2.091 -2.499 1.00 . A A . 70 VAL CG1 1 1 3 1074 1 1 13 VAL CG2 C 9.996 0.256 -3.953 1.00 . A A . 70 VAL CG2 1 1 3 1075 1 1 13 VAL H H 7.169 1.144 -3.491 1.00 . A A . 70 VAL H 1 1 3 1076 1 1 13 VAL HA H 8.957 0.095 -1.562 1.00 . A A . 70 VAL HA 1 1 3 1077 1 1 13 VAL HB H 9.122 2.172 -3.730 1.00 . A A . 70 VAL HB 1 1 3 1078 1 1 13 VAL HG11 H 10.531 2.986 -1.978 1.00 . A A . 70 VAL HG11 1 1 3 1079 1 1 13 VAL HG12 H 11.521 2.343 -3.288 1.00 . A A . 70 VAL HG12 1 1 3 1080 1 1 13 VAL HG13 H 11.295 1.409 -1.809 1.00 . A A . 70 VAL HG13 1 1 3 1081 1 1 13 VAL HG21 H 10.422 -0.515 -3.329 1.00 . A A . 70 VAL HG21 1 1 3 1082 1 1 13 VAL HG22 H 10.723 0.566 -4.688 1.00 . A A . 70 VAL HG22 1 1 3 1083 1 1 13 VAL HG23 H 9.118 -0.128 -4.455 1.00 . A A . 70 VAL HG23 1 1 3 1084 1 1 13 VAL N N 7.331 0.789 -2.598 1.00 . A A . 70 VAL N 1 1 3 1085 1 1 13 VAL O O 9.250 2.073 0.065 1.00 . A A . 70 VAL O 1 1 3 1086 1 1 14 GLN C C 6.221 3.801 0.759 1.00 . A A . 71 GLN C 1 1 3 1087 1 1 14 GLN CA C 7.387 4.085 -0.172 1.00 . A A . 71 GLN CA 1 1 3 1088 1 1 14 GLN CB C 7.135 5.311 -1.012 1.00 . A A . 71 GLN CB 1 1 3 1089 1 1 14 GLN CD C 9.504 6.118 -1.341 1.00 . A A . 71 GLN CD 1 1 3 1090 1 1 14 GLN CG C 8.257 5.557 -1.999 1.00 . A A . 71 GLN CG 1 1 3 1091 1 1 14 GLN H H 6.998 3.008 -1.894 1.00 . A A . 71 GLN H 1 1 3 1092 1 1 14 GLN HA H 8.291 4.216 0.396 1.00 . A A . 71 GLN HA 1 1 3 1093 1 1 14 GLN HB2 H 6.211 5.180 -1.566 1.00 . A A . 71 GLN HB2 1 1 3 1094 1 1 14 GLN HB3 H 7.050 6.155 -0.372 1.00 . A A . 71 GLN HB3 1 1 3 1095 1 1 14 GLN HE21 H 10.148 4.283 -0.938 1.00 . A A . 71 GLN HE21 1 1 3 1096 1 1 14 GLN HE22 H 11.172 5.573 -0.411 1.00 . A A . 71 GLN HE22 1 1 3 1097 1 1 14 GLN HG2 H 8.514 4.617 -2.463 1.00 . A A . 71 GLN HG2 1 1 3 1098 1 1 14 GLN HG3 H 7.912 6.237 -2.748 1.00 . A A . 71 GLN HG3 1 1 3 1099 1 1 14 GLN N N 7.570 3.015 -1.094 1.00 . A A . 71 GLN N 1 1 3 1100 1 1 14 GLN NE2 N 10.361 5.237 -0.850 1.00 . A A . 71 GLN NE2 1 1 3 1101 1 1 14 GLN O O 5.120 3.468 0.315 1.00 . A A . 71 GLN O 1 1 3 1102 1 1 14 GLN OE1 O 9.690 7.333 -1.265 1.00 . A A . 71 GLN OE1 1 1 3 1103 1 1 15 SER C C 4.272 4.603 2.858 1.00 . A A . 72 SER C 1 1 3 1104 1 1 15 SER CA C 5.487 3.717 3.086 1.00 . A A . 72 SER CA 1 1 3 1105 1 1 15 SER CB C 6.098 4.008 4.460 1.00 . A A . 72 SER CB 1 1 3 1106 1 1 15 SER H H 7.395 4.211 2.322 1.00 . A A . 72 SER H 1 1 3 1107 1 1 15 SER HA H 5.185 2.681 3.042 1.00 . A A . 72 SER HA 1 1 3 1108 1 1 15 SER HB2 H 6.982 3.401 4.594 1.00 . A A . 72 SER HB2 1 1 3 1109 1 1 15 SER HB3 H 6.371 5.052 4.514 1.00 . A A . 72 SER HB3 1 1 3 1110 1 1 15 SER HG H 4.402 3.289 5.147 1.00 . A A . 72 SER HG 1 1 3 1111 1 1 15 SER N N 6.482 3.943 2.050 1.00 . A A . 72 SER N 1 1 3 1112 1 1 15 SER O O 3.134 4.167 3.026 1.00 . A A . 72 SER O 1 1 3 1113 1 1 15 SER OG O 5.190 3.718 5.509 1.00 . A A . 72 SER OG 1 1 3 1114 1 1 16 SER C C 2.571 6.317 1.076 1.00 . A A . 73 SER C 1 1 3 1115 1 1 16 SER CA C 3.470 6.799 2.209 1.00 . A A . 73 SER CA 1 1 3 1116 1 1 16 SER CB C 4.071 8.169 1.871 1.00 . A A . 73 SER CB 1 1 3 1117 1 1 16 SER H H 5.465 6.116 2.314 1.00 . A A . 73 SER H 1 1 3 1118 1 1 16 SER HA H 2.881 6.883 3.110 1.00 . A A . 73 SER HA 1 1 3 1119 1 1 16 SER HB2 H 4.807 8.427 2.616 1.00 . A A . 73 SER HB2 1 1 3 1120 1 1 16 SER HB3 H 4.544 8.121 0.900 1.00 . A A . 73 SER HB3 1 1 3 1121 1 1 16 SER HG H 3.138 9.701 2.655 1.00 . A A . 73 SER HG 1 1 3 1122 1 1 16 SER N N 4.528 5.840 2.453 1.00 . A A . 73 SER N 1 1 3 1123 1 1 16 SER O O 1.347 6.415 1.160 1.00 . A A . 73 SER O 1 1 3 1124 1 1 16 SER OG O 3.080 9.182 1.845 1.00 . A A . 73 SER OG 1 1 3 1125 1 1 17 GLN C C 1.707 4.034 -0.877 1.00 . A A . 74 GLN C 1 1 3 1126 1 1 17 GLN CA C 2.421 5.345 -1.133 1.00 . A A . 74 GLN CA 1 1 3 1127 1 1 17 GLN CB C 3.334 5.242 -2.353 1.00 . A A . 74 GLN CB 1 1 3 1128 1 1 17 GLN CD C 2.767 7.579 -3.115 1.00 . A A . 74 GLN CD 1 1 3 1129 1 1 17 GLN CG C 3.876 6.590 -2.800 1.00 . A A . 74 GLN CG 1 1 3 1130 1 1 17 GLN H H 4.136 5.546 0.079 1.00 . A A . 74 GLN H 1 1 3 1131 1 1 17 GLN HA H 1.679 6.110 -1.317 1.00 . A A . 74 GLN HA 1 1 3 1132 1 1 17 GLN HB2 H 4.173 4.599 -2.110 1.00 . A A . 74 GLN HB2 1 1 3 1133 1 1 17 GLN HB3 H 2.776 4.811 -3.174 1.00 . A A . 74 GLN HB3 1 1 3 1134 1 1 17 GLN HE21 H 3.901 9.095 -2.507 1.00 . A A . 74 GLN HE21 1 1 3 1135 1 1 17 GLN HE22 H 2.315 9.514 -3.058 1.00 . A A . 74 GLN HE22 1 1 3 1136 1 1 17 GLN HG2 H 4.488 6.997 -2.008 1.00 . A A . 74 GLN HG2 1 1 3 1137 1 1 17 GLN HG3 H 4.477 6.448 -3.684 1.00 . A A . 74 GLN HG3 1 1 3 1138 1 1 17 GLN N N 3.174 5.742 0.039 1.00 . A A . 74 GLN N 1 1 3 1139 1 1 17 GLN NE2 N 3.020 8.856 -2.873 1.00 . A A . 74 GLN NE2 1 1 3 1140 1 1 17 GLN O O 0.631 3.789 -1.413 1.00 . A A . 74 GLN O 1 1 3 1141 1 1 17 GLN OE1 O 1.683 7.196 -3.564 1.00 . A A . 74 GLN OE1 1 1 3 1142 1 1 18 LEU C C 0.486 2.281 1.261 1.00 . A A . 75 LEU C 1 1 3 1143 1 1 18 LEU CA C 1.681 1.968 0.371 1.00 . A A . 75 LEU CA 1 1 3 1144 1 1 18 LEU CB C 2.711 1.092 1.099 1.00 . A A . 75 LEU CB 1 1 3 1145 1 1 18 LEU CD1 C 1.142 -0.679 1.942 1.00 . A A . 75 LEU CD1 1 1 3 1146 1 1 18 LEU CD2 C 2.286 -0.992 -0.227 1.00 . A A . 75 LEU CD2 1 1 3 1147 1 1 18 LEU CG C 2.406 -0.411 1.165 1.00 . A A . 75 LEU CG 1 1 3 1148 1 1 18 LEU H H 3.187 3.435 0.321 1.00 . A A . 75 LEU H 1 1 3 1149 1 1 18 LEU HA H 1.331 1.463 -0.516 1.00 . A A . 75 LEU HA 1 1 3 1150 1 1 18 LEU HB2 H 3.662 1.216 0.600 1.00 . A A . 75 LEU HB2 1 1 3 1151 1 1 18 LEU HB3 H 2.803 1.461 2.114 1.00 . A A . 75 LEU HB3 1 1 3 1152 1 1 18 LEU HD11 H 1.237 -0.276 2.939 1.00 . A A . 75 LEU HD11 1 1 3 1153 1 1 18 LEU HD12 H 0.970 -1.742 1.995 1.00 . A A . 75 LEU HD12 1 1 3 1154 1 1 18 LEU HD13 H 0.310 -0.200 1.439 1.00 . A A . 75 LEU HD13 1 1 3 1155 1 1 18 LEU HD21 H 2.069 -2.048 -0.157 1.00 . A A . 75 LEU HD21 1 1 3 1156 1 1 18 LEU HD22 H 3.217 -0.850 -0.756 1.00 . A A . 75 LEU HD22 1 1 3 1157 1 1 18 LEU HD23 H 1.489 -0.493 -0.758 1.00 . A A . 75 LEU HD23 1 1 3 1158 1 1 18 LEU HG H 3.221 -0.914 1.667 1.00 . A A . 75 LEU HG 1 1 3 1159 1 1 18 LEU N N 2.301 3.209 -0.033 1.00 . A A . 75 LEU N 1 1 3 1160 1 1 18 LEU O O -0.573 1.662 1.143 1.00 . A A . 75 LEU O 1 1 3 1161 1 1 19 ALA C C -1.495 4.377 2.103 1.00 . A A . 76 ALA C 1 1 3 1162 1 1 19 ALA CA C -0.460 3.697 2.968 1.00 . A A . 76 ALA CA 1 1 3 1163 1 1 19 ALA CB C 0.012 4.623 4.077 1.00 . A A . 76 ALA CB 1 1 3 1164 1 1 19 ALA H H 1.530 3.683 2.243 1.00 . A A . 76 ALA H 1 1 3 1165 1 1 19 ALA HA H -0.918 2.820 3.417 1.00 . A A . 76 ALA HA 1 1 3 1166 1 1 19 ALA HB1 H -0.825 4.887 4.705 1.00 . A A . 76 ALA HB1 1 1 3 1167 1 1 19 ALA HB2 H 0.432 5.517 3.641 1.00 . A A . 76 ALA HB2 1 1 3 1168 1 1 19 ALA HB3 H 0.765 4.124 4.671 1.00 . A A . 76 ALA HB3 1 1 3 1169 1 1 19 ALA N N 0.648 3.258 2.142 1.00 . A A . 76 ALA N 1 1 3 1170 1 1 19 ALA O O -2.681 4.182 2.305 1.00 . A A . 76 ALA O 1 1 3 1171 1 1 20 ASN C C -2.778 4.664 -0.524 1.00 . A A . 77 ASN C 1 1 3 1172 1 1 20 ASN CA C -1.967 5.760 0.159 1.00 . A A . 77 ASN CA 1 1 3 1173 1 1 20 ASN CB C -1.199 6.577 -0.887 1.00 . A A . 77 ASN CB 1 1 3 1174 1 1 20 ASN CG C -2.111 7.323 -1.847 1.00 . A A . 77 ASN CG 1 1 3 1175 1 1 20 ASN H H -0.069 5.315 1.030 1.00 . A A . 77 ASN H 1 1 3 1176 1 1 20 ASN HA H -2.635 6.409 0.705 1.00 . A A . 77 ASN HA 1 1 3 1177 1 1 20 ASN HB2 H -0.575 7.300 -0.382 1.00 . A A . 77 ASN HB2 1 1 3 1178 1 1 20 ASN HB3 H -0.572 5.911 -1.461 1.00 . A A . 77 ASN HB3 1 1 3 1179 1 1 20 ASN HD21 H -0.755 7.149 -3.293 1.00 . A A . 77 ASN HD21 1 1 3 1180 1 1 20 ASN HD22 H -2.219 7.988 -3.717 1.00 . A A . 77 ASN HD22 1 1 3 1181 1 1 20 ASN N N -1.044 5.149 1.115 1.00 . A A . 77 ASN N 1 1 3 1182 1 1 20 ASN ND2 N -1.650 7.504 -3.074 1.00 . A A . 77 ASN ND2 1 1 3 1183 1 1 20 ASN O O -3.994 4.769 -0.687 1.00 . A A . 77 ASN O 1 1 3 1184 1 1 20 ASN OD1 O -3.214 7.739 -1.487 1.00 . A A . 77 ASN OD1 1 1 3 1185 1 1 21 HIS C C -3.769 1.817 -0.618 1.00 . A A . 78 HIS C 1 1 3 1186 1 1 21 HIS CA C -2.672 2.425 -1.495 1.00 . A A . 78 HIS CA 1 1 3 1187 1 1 21 HIS CB C -1.559 1.405 -1.730 1.00 . A A . 78 HIS CB 1 1 3 1188 1 1 21 HIS CD2 C -2.401 -1.029 -1.695 1.00 . A A . 78 HIS CD2 1 1 3 1189 1 1 21 HIS CE1 C -2.438 -1.417 -3.820 1.00 . A A . 78 HIS CE1 1 1 3 1190 1 1 21 HIS CG C -2.006 0.106 -2.314 1.00 . A A . 78 HIS CG 1 1 3 1191 1 1 21 HIS H H -1.104 3.592 -0.711 1.00 . A A . 78 HIS H 1 1 3 1192 1 1 21 HIS HA H -3.092 2.718 -2.444 1.00 . A A . 78 HIS HA 1 1 3 1193 1 1 21 HIS HB2 H -0.827 1.831 -2.400 1.00 . A A . 78 HIS HB2 1 1 3 1194 1 1 21 HIS HB3 H -1.082 1.191 -0.779 1.00 . A A . 78 HIS HB3 1 1 3 1195 1 1 21 HIS HD1 H -1.829 0.483 -4.386 1.00 . A A . 78 HIS HD1 1 1 3 1196 1 1 21 HIS HD2 H -2.496 -1.170 -0.629 1.00 . A A . 78 HIS HD2 1 1 3 1197 1 1 21 HIS HE1 H -2.555 -1.903 -4.778 1.00 . A A . 78 HIS HE1 1 1 3 1198 1 1 21 HIS N N -2.078 3.594 -0.874 1.00 . A A . 78 HIS N 1 1 3 1199 1 1 21 HIS ND1 N -2.040 -0.158 -3.659 1.00 . A A . 78 HIS ND1 1 1 3 1200 1 1 21 HIS NE2 N -2.674 -1.998 -2.652 1.00 . A A . 78 HIS NE2 1 1 3 1201 1 1 21 HIS O O -4.898 1.608 -1.061 1.00 . A A . 78 HIS O 1 1 3 1202 1 1 22 ILE C C -5.389 1.845 2.079 1.00 . A A . 79 ILE C 1 1 3 1203 1 1 22 ILE CA C -4.326 0.879 1.553 1.00 . A A . 79 ILE CA 1 1 3 1204 1 1 22 ILE CB C -3.524 0.229 2.692 1.00 . A A . 79 ILE CB 1 1 3 1205 1 1 22 ILE CD1 C -1.847 -1.644 3.089 1.00 . A A . 79 ILE CD1 1 1 3 1206 1 1 22 ILE CG1 C -2.706 -0.914 2.096 1.00 . A A . 79 ILE CG1 1 1 3 1207 1 1 22 ILE CG2 C -4.431 -0.275 3.797 1.00 . A A . 79 ILE CG2 1 1 3 1208 1 1 22 ILE H H -2.513 1.759 0.934 1.00 . A A . 79 ILE H 1 1 3 1209 1 1 22 ILE HA H -4.826 0.081 1.017 1.00 . A A . 79 ILE HA 1 1 3 1210 1 1 22 ILE HB H -2.852 0.965 3.105 1.00 . A A . 79 ILE HB 1 1 3 1211 1 1 22 ILE HD11 H -1.313 -2.439 2.578 1.00 . A A . 79 ILE HD11 1 1 3 1212 1 1 22 ILE HD12 H -2.470 -2.061 3.864 1.00 . A A . 79 ILE HD12 1 1 3 1213 1 1 22 ILE HD13 H -1.139 -0.951 3.523 1.00 . A A . 79 ILE HD13 1 1 3 1214 1 1 22 ILE HG12 H -3.381 -1.635 1.655 1.00 . A A . 79 ILE HG12 1 1 3 1215 1 1 22 ILE HG13 H -2.058 -0.514 1.326 1.00 . A A . 79 ILE HG13 1 1 3 1216 1 1 22 ILE HG21 H -5.071 -1.052 3.407 1.00 . A A . 79 ILE HG21 1 1 3 1217 1 1 22 ILE HG22 H -5.035 0.541 4.163 1.00 . A A . 79 ILE HG22 1 1 3 1218 1 1 22 ILE HG23 H -3.829 -0.669 4.602 1.00 . A A . 79 ILE HG23 1 1 3 1219 1 1 22 ILE N N -3.420 1.529 0.626 1.00 . A A . 79 ILE N 1 1 3 1220 1 1 22 ILE O O -6.457 1.420 2.515 1.00 . A A . 79 ILE O 1 1 3 1221 1 1 23 ARG C C -7.303 4.074 1.338 1.00 . A A . 80 ARG C 1 1 3 1222 1 1 23 ARG CA C -6.117 4.152 2.304 1.00 . A A . 80 ARG CA 1 1 3 1223 1 1 23 ARG CB C -5.482 5.526 2.244 1.00 . A A . 80 ARG CB 1 1 3 1224 1 1 23 ARG CD C -4.158 7.285 3.445 1.00 . A A . 80 ARG CD 1 1 3 1225 1 1 23 ARG CG C -4.714 5.877 3.500 1.00 . A A . 80 ARG CG 1 1 3 1226 1 1 23 ARG CZ C -2.251 8.345 4.603 1.00 . A A . 80 ARG CZ 1 1 3 1227 1 1 23 ARG H H -4.199 3.446 1.811 1.00 . A A . 80 ARG H 1 1 3 1228 1 1 23 ARG HA H -6.473 3.982 3.307 1.00 . A A . 80 ARG HA 1 1 3 1229 1 1 23 ARG HB2 H -4.800 5.558 1.407 1.00 . A A . 80 ARG HB2 1 1 3 1230 1 1 23 ARG HB3 H -6.245 6.248 2.096 1.00 . A A . 80 ARG HB3 1 1 3 1231 1 1 23 ARG HD2 H -3.550 7.383 2.560 1.00 . A A . 80 ARG HD2 1 1 3 1232 1 1 23 ARG HD3 H -4.985 7.977 3.396 1.00 . A A . 80 ARG HD3 1 1 3 1233 1 1 23 ARG HE H -3.641 7.188 5.481 1.00 . A A . 80 ARG HE 1 1 3 1234 1 1 23 ARG HG2 H -5.375 5.793 4.347 1.00 . A A . 80 ARG HG2 1 1 3 1235 1 1 23 ARG HG3 H -3.894 5.182 3.612 1.00 . A A . 80 ARG HG3 1 1 3 1236 1 1 23 ARG HH11 H -2.382 8.807 2.631 1.00 . A A . 80 ARG HH11 1 1 3 1237 1 1 23 ARG HH12 H -1.030 9.509 3.469 1.00 . A A . 80 ARG HH12 1 1 3 1238 1 1 23 ARG HH21 H -1.850 8.096 6.572 1.00 . A A . 80 ARG HH21 1 1 3 1239 1 1 23 ARG HH22 H -0.725 9.097 5.710 1.00 . A A . 80 ARG HH22 1 1 3 1240 1 1 23 ARG N N -5.115 3.145 2.013 1.00 . A A . 80 ARG N 1 1 3 1241 1 1 23 ARG NE N -3.350 7.590 4.622 1.00 . A A . 80 ARG NE 1 1 3 1242 1 1 23 ARG NH1 N -1.858 8.930 3.478 1.00 . A A . 80 ARG NH1 1 1 3 1243 1 1 23 ARG NH2 N -1.555 8.527 5.717 1.00 . A A . 80 ARG NH2 1 1 3 1244 1 1 23 ARG O O -8.366 4.632 1.597 1.00 . A A . 80 ARG O 1 1 3 1245 1 1 24 HIS C C -8.934 1.864 -0.385 1.00 . A A . 81 HIS C 1 1 3 1246 1 1 24 HIS CA C -8.200 3.167 -0.727 1.00 . A A . 81 HIS CA 1 1 3 1247 1 1 24 HIS CB C -7.655 3.135 -2.162 1.00 . A A . 81 HIS CB 1 1 3 1248 1 1 24 HIS CD2 C -9.804 3.662 -3.519 1.00 . A A . 81 HIS CD2 1 1 3 1249 1 1 24 HIS CE1 C -9.752 1.940 -4.869 1.00 . A A . 81 HIS CE1 1 1 3 1250 1 1 24 HIS CG C -8.707 2.934 -3.210 1.00 . A A . 81 HIS CG 1 1 3 1251 1 1 24 HIS H H -6.222 3.042 0.015 1.00 . A A . 81 HIS H 1 1 3 1252 1 1 24 HIS HA H -8.894 3.988 -0.633 1.00 . A A . 81 HIS HA 1 1 3 1253 1 1 24 HIS HB2 H -7.158 4.071 -2.371 1.00 . A A . 81 HIS HB2 1 1 3 1254 1 1 24 HIS HB3 H -6.940 2.329 -2.250 1.00 . A A . 81 HIS HB3 1 1 3 1255 1 1 24 HIS HD1 H -8.018 1.153 -4.104 1.00 . A A . 81 HIS HD1 1 1 3 1256 1 1 24 HIS HD2 H -10.125 4.573 -3.036 1.00 . A A . 81 HIS HD2 1 1 3 1257 1 1 24 HIS HE1 H -10.006 1.232 -5.646 1.00 . A A . 81 HIS HE1 1 1 3 1258 1 1 24 HIS HE2 H -11.367 3.205 -4.851 1.00 . A A . 81 HIS HE2 1 1 3 1259 1 1 24 HIS N N -7.114 3.391 0.218 1.00 . A A . 81 HIS N 1 1 3 1260 1 1 24 HIS ND1 N -8.703 1.865 -4.074 1.00 . A A . 81 HIS ND1 1 1 3 1261 1 1 24 HIS NE2 N -10.439 3.022 -4.556 1.00 . A A . 81 HIS NE2 1 1 3 1262 1 1 24 HIS O O -9.932 1.507 -1.012 1.00 . A A . 81 HIS O 1 1 3 1263 1 1 25 HIS C C -10.085 0.156 2.151 1.00 . A A . 82 HIS C 1 1 3 1264 1 1 25 HIS CA C -9.055 -0.085 1.056 1.00 . A A . 82 HIS CA 1 1 3 1265 1 1 25 HIS CB C -7.989 -1.077 1.539 1.00 . A A . 82 HIS CB 1 1 3 1266 1 1 25 HIS CD2 C -6.463 -1.568 -0.492 1.00 . A A . 82 HIS CD2 1 1 3 1267 1 1 25 HIS CE1 C -6.915 -3.661 -0.787 1.00 . A A . 82 HIS CE1 1 1 3 1268 1 1 25 HIS CG C -7.379 -1.902 0.448 1.00 . A A . 82 HIS CG 1 1 3 1269 1 1 25 HIS H H -7.661 1.508 1.115 1.00 . A A . 82 HIS H 1 1 3 1270 1 1 25 HIS HA H -9.559 -0.501 0.205 1.00 . A A . 82 HIS HA 1 1 3 1271 1 1 25 HIS HB2 H -7.191 -0.525 2.014 1.00 . A A . 82 HIS HB2 1 1 3 1272 1 1 25 HIS HB3 H -8.426 -1.747 2.258 1.00 . A A . 82 HIS HB3 1 1 3 1273 1 1 25 HIS HD1 H -8.293 -3.789 0.769 1.00 . A A . 82 HIS HD1 1 1 3 1274 1 1 25 HIS HD2 H -6.022 -0.592 -0.627 1.00 . A A . 82 HIS HD2 1 1 3 1275 1 1 25 HIS HE1 H -6.930 -4.667 -1.177 1.00 . A A . 82 HIS HE1 1 1 3 1276 1 1 25 HIS N N -8.444 1.166 0.629 1.00 . A A . 82 HIS N 1 1 3 1277 1 1 25 HIS ND1 N -7.658 -3.237 0.246 1.00 . A A . 82 HIS ND1 1 1 3 1278 1 1 25 HIS NE2 N -6.171 -2.689 -1.267 1.00 . A A . 82 HIS NE2 1 1 3 1279 1 1 25 HIS O O -10.885 -0.725 2.472 1.00 . A A . 82 HIS O 1 1 3 1280 1 1 26 ASP C C -12.009 2.750 3.198 1.00 . A A . 83 ASP C 1 1 3 1281 1 1 26 ASP CA C -11.027 1.723 3.741 1.00 . A A . 83 ASP CA 1 1 3 1282 1 1 26 ASP CB C -10.331 2.246 5.007 1.00 . A A . 83 ASP CB 1 1 3 1283 1 1 26 ASP CG C -9.574 3.546 4.812 1.00 . A A . 83 ASP CG 1 1 3 1284 1 1 26 ASP H H -9.410 2.009 2.417 1.00 . A A . 83 ASP H 1 1 3 1285 1 1 26 ASP HA H -11.582 0.829 3.996 1.00 . A A . 83 ASP HA 1 1 3 1286 1 1 26 ASP HB2 H -11.078 2.410 5.768 1.00 . A A . 83 ASP HB2 1 1 3 1287 1 1 26 ASP HB3 H -9.631 1.496 5.356 1.00 . A A . 83 ASP HB3 1 1 3 1288 1 1 26 ASP N N -10.071 1.353 2.712 1.00 . A A . 83 ASP N 1 1 3 1289 1 1 26 ASP O O -11.569 3.809 2.715 1.00 . A A . 83 ASP O 1 1 3 1290 1 1 26 ASP OXT O -13.228 2.480 3.237 1.00 . A A . 83 ASP OXT 1 1 3 1291 1 1 26 ASP OD1 O -8.395 3.494 4.401 1.00 . A A . 83 ASP OD1 1 1 3 1292 1 1 26 ASP OD2 O -10.131 4.621 5.118 1.00 . A A . 83 ASP OD2 1 1 3 1293 2 2 1 ZN ZN ZN -4.265 -3.038 -1.777 1.00 . B A . 101 ZN ZN 1 1 4 1294 1 1 1 LYS C C 10.107 -1.053 1.390 1.00 . A A . 58 LYS C 1 1 4 1295 1 1 1 LYS CA C 10.798 0.230 1.838 1.00 . A A . 58 LYS CA 1 1 4 1296 1 1 1 LYS CB C 9.778 1.162 2.497 1.00 . A A . 58 LYS CB 1 1 4 1297 1 1 1 LYS CD C 11.287 2.023 4.308 1.00 . A A . 58 LYS CD 1 1 4 1298 1 1 1 LYS CE C 11.811 3.258 5.020 1.00 . A A . 58 LYS CE 1 1 4 1299 1 1 1 LYS CG C 10.389 2.393 3.141 1.00 . A A . 58 LYS CG 1 1 4 1300 1 1 1 LYS H1 H 10.709 1.229 0.019 1.00 . A A . 58 LYS H1 1 1 4 1301 1 1 1 LYS H2 H 12.072 0.246 0.192 1.00 . A A . 58 LYS H2 1 1 4 1302 1 1 1 LYS H3 H 11.988 1.729 1.009 1.00 . A A . 58 LYS H3 1 1 4 1303 1 1 1 LYS HA H 11.566 -0.018 2.556 1.00 . A A . 58 LYS HA 1 1 4 1304 1 1 1 LYS HB2 H 9.072 1.490 1.748 1.00 . A A . 58 LYS HB2 1 1 4 1305 1 1 1 LYS HB3 H 9.247 0.611 3.259 1.00 . A A . 58 LYS HB3 1 1 4 1306 1 1 1 LYS HD2 H 10.722 1.426 5.010 1.00 . A A . 58 LYS HD2 1 1 4 1307 1 1 1 LYS HD3 H 12.124 1.450 3.938 1.00 . A A . 58 LYS HD3 1 1 4 1308 1 1 1 LYS HE2 H 12.370 3.855 4.316 1.00 . A A . 58 LYS HE2 1 1 4 1309 1 1 1 LYS HE3 H 10.971 3.827 5.391 1.00 . A A . 58 LYS HE3 1 1 4 1310 1 1 1 LYS HG2 H 10.976 2.920 2.404 1.00 . A A . 58 LYS HG2 1 1 4 1311 1 1 1 LYS HG3 H 9.596 3.034 3.498 1.00 . A A . 58 LYS HG3 1 1 4 1312 1 1 1 LYS HZ1 H 13.563 2.441 5.809 1.00 . A A . 58 LYS HZ1 1 1 4 1313 1 1 1 LYS HZ2 H 12.202 2.249 6.805 1.00 . A A . 58 LYS HZ2 1 1 4 1314 1 1 1 LYS HZ3 H 12.959 3.760 6.690 1.00 . A A . 58 LYS HZ3 1 1 4 1315 1 1 1 LYS N N 11.435 0.905 0.688 1.00 . A A . 58 LYS N 1 1 4 1316 1 1 1 LYS NZ N 12.695 2.902 6.159 1.00 . A A . 58 LYS NZ 1 1 4 1317 1 1 1 LYS O O 9.526 -1.106 0.305 1.00 . A A . 58 LYS O 1 1 4 1318 1 1 2 PRO C C 8.089 -3.479 2.309 1.00 . A A . 59 PRO C 1 1 4 1319 1 1 2 PRO CA C 9.562 -3.399 1.918 1.00 . A A . 59 PRO CA 1 1 4 1320 1 1 2 PRO CB C 10.399 -4.335 2.777 1.00 . A A . 59 PRO CB 1 1 4 1321 1 1 2 PRO CD C 10.769 -2.097 3.564 1.00 . A A . 59 PRO CD 1 1 4 1322 1 1 2 PRO CG C 10.676 -3.538 4.002 1.00 . A A . 59 PRO CG 1 1 4 1323 1 1 2 PRO HA H 9.678 -3.655 0.881 1.00 . A A . 59 PRO HA 1 1 4 1324 1 1 2 PRO HB2 H 9.833 -5.232 3.000 1.00 . A A . 59 PRO HB2 1 1 4 1325 1 1 2 PRO HB3 H 11.312 -4.590 2.256 1.00 . A A . 59 PRO HB3 1 1 4 1326 1 1 2 PRO HD2 H 10.213 -1.461 4.240 1.00 . A A . 59 PRO HD2 1 1 4 1327 1 1 2 PRO HD3 H 11.801 -1.782 3.510 1.00 . A A . 59 PRO HD3 1 1 4 1328 1 1 2 PRO HG2 H 9.865 -3.664 4.698 1.00 . A A . 59 PRO HG2 1 1 4 1329 1 1 2 PRO HG3 H 11.608 -3.858 4.446 1.00 . A A . 59 PRO HG3 1 1 4 1330 1 1 2 PRO N N 10.149 -2.098 2.228 1.00 . A A . 59 PRO N 1 1 4 1331 1 1 2 PRO O O 7.640 -4.456 2.908 1.00 . A A . 59 PRO O 1 1 4 1332 1 1 3 TYR C C 5.046 -3.025 1.311 1.00 . A A . 60 TYR C 1 1 4 1333 1 1 3 TYR CA C 5.944 -2.364 2.346 1.00 . A A . 60 TYR CA 1 1 4 1334 1 1 3 TYR CB C 5.540 -0.906 2.570 1.00 . A A . 60 TYR CB 1 1 4 1335 1 1 3 TYR CD1 C 7.301 -0.249 4.251 1.00 . A A . 60 TYR CD1 1 1 4 1336 1 1 3 TYR CD2 C 5.014 0.035 4.850 1.00 . A A . 60 TYR CD2 1 1 4 1337 1 1 3 TYR CE1 C 7.690 0.246 5.481 1.00 . A A . 60 TYR CE1 1 1 4 1338 1 1 3 TYR CE2 C 5.393 0.533 6.081 1.00 . A A . 60 TYR CE2 1 1 4 1339 1 1 3 TYR CG C 5.959 -0.365 3.917 1.00 . A A . 60 TYR CG 1 1 4 1340 1 1 3 TYR CZ C 6.728 0.625 6.396 1.00 . A A . 60 TYR CZ 1 1 4 1341 1 1 3 TYR H H 7.733 -1.737 1.409 1.00 . A A . 60 TYR H 1 1 4 1342 1 1 3 TYR HA H 5.840 -2.898 3.278 1.00 . A A . 60 TYR HA 1 1 4 1343 1 1 3 TYR HB2 H 6.001 -0.291 1.812 1.00 . A A . 60 TYR HB2 1 1 4 1344 1 1 3 TYR HB3 H 4.467 -0.819 2.496 1.00 . A A . 60 TYR HB3 1 1 4 1345 1 1 3 TYR HD1 H 8.049 -0.557 3.534 1.00 . A A . 60 TYR HD1 1 1 4 1346 1 1 3 TYR HD2 H 3.967 -0.048 4.604 1.00 . A A . 60 TYR HD2 1 1 4 1347 1 1 3 TYR HE1 H 8.739 0.329 5.723 1.00 . A A . 60 TYR HE1 1 1 4 1348 1 1 3 TYR HE2 H 4.640 0.838 6.794 1.00 . A A . 60 TYR HE2 1 1 4 1349 1 1 3 TYR HH H 7.792 1.800 7.502 1.00 . A A . 60 TYR HH 1 1 4 1350 1 1 3 TYR N N 7.340 -2.450 1.957 1.00 . A A . 60 TYR N 1 1 4 1351 1 1 3 TYR O O 5.129 -2.737 0.115 1.00 . A A . 60 TYR O 1 1 4 1352 1 1 3 TYR OH O 7.107 1.124 7.621 1.00 . A A . 60 TYR OH 1 1 4 1353 1 1 4 VAL C C 1.865 -4.491 1.438 1.00 . A A . 61 VAL C 1 1 4 1354 1 1 4 VAL CA C 3.288 -4.661 0.934 1.00 . A A . 61 VAL CA 1 1 4 1355 1 1 4 VAL CB C 3.633 -6.162 0.902 1.00 . A A . 61 VAL CB 1 1 4 1356 1 1 4 VAL CG1 C 2.661 -6.920 0.019 1.00 . A A . 61 VAL CG1 1 1 4 1357 1 1 4 VAL CG2 C 5.053 -6.366 0.421 1.00 . A A . 61 VAL CG2 1 1 4 1358 1 1 4 VAL H H 4.212 -4.131 2.741 1.00 . A A . 61 VAL H 1 1 4 1359 1 1 4 VAL HA H 3.364 -4.266 -0.069 1.00 . A A . 61 VAL HA 1 1 4 1360 1 1 4 VAL HB H 3.556 -6.553 1.907 1.00 . A A . 61 VAL HB 1 1 4 1361 1 1 4 VAL HG11 H 2.933 -7.963 -0.003 1.00 . A A . 61 VAL HG11 1 1 4 1362 1 1 4 VAL HG12 H 2.698 -6.515 -0.982 1.00 . A A . 61 VAL HG12 1 1 4 1363 1 1 4 VAL HG13 H 1.662 -6.814 0.414 1.00 . A A . 61 VAL HG13 1 1 4 1364 1 1 4 VAL HG21 H 5.737 -5.882 1.100 1.00 . A A . 61 VAL HG21 1 1 4 1365 1 1 4 VAL HG22 H 5.155 -5.935 -0.564 1.00 . A A . 61 VAL HG22 1 1 4 1366 1 1 4 VAL HG23 H 5.271 -7.422 0.378 1.00 . A A . 61 VAL HG23 1 1 4 1367 1 1 4 VAL N N 4.210 -3.936 1.784 1.00 . A A . 61 VAL N 1 1 4 1368 1 1 4 VAL O O 1.615 -4.555 2.644 1.00 . A A . 61 VAL O 1 1 4 1369 1 1 5 CYS C C -0.987 -5.487 1.362 1.00 . A A . 62 CYS C 1 1 4 1370 1 1 5 CYS CA C -0.462 -4.150 0.875 1.00 . A A . 62 CYS CA 1 1 4 1371 1 1 5 CYS CB C -1.304 -3.679 -0.314 1.00 . A A . 62 CYS CB 1 1 4 1372 1 1 5 CYS H H 1.215 -4.183 -0.423 1.00 . A A . 62 CYS H 1 1 4 1373 1 1 5 CYS HA H -0.546 -3.430 1.674 1.00 . A A . 62 CYS HA 1 1 4 1374 1 1 5 CYS HB2 H -1.048 -2.665 -0.553 1.00 . A A . 62 CYS HB2 1 1 4 1375 1 1 5 CYS HB3 H -1.108 -4.315 -1.159 1.00 . A A . 62 CYS HB3 1 1 4 1376 1 1 5 CYS N N 0.942 -4.264 0.520 1.00 . A A . 62 CYS N 1 1 4 1377 1 1 5 CYS O O -1.237 -6.389 0.566 1.00 . A A . 62 CYS O 1 1 4 1378 1 1 5 CYS SG S -3.074 -3.706 -0.006 1.00 . A A . 62 CYS SG 1 1 4 1379 1 1 6 GLU C C -3.060 -7.158 2.671 1.00 . A A . 63 GLU C 1 1 4 1380 1 1 6 GLU CA C -1.705 -6.805 3.279 1.00 . A A . 63 GLU CA 1 1 4 1381 1 1 6 GLU CB C -1.859 -6.598 4.787 1.00 . A A . 63 GLU CB 1 1 4 1382 1 1 6 GLU CD C -2.925 -5.212 6.618 1.00 . A A . 63 GLU CD 1 1 4 1383 1 1 6 GLU CG C -2.641 -5.341 5.139 1.00 . A A . 63 GLU CG 1 1 4 1384 1 1 6 GLU H H -0.888 -4.857 3.249 1.00 . A A . 63 GLU H 1 1 4 1385 1 1 6 GLU HA H -1.015 -7.616 3.104 1.00 . A A . 63 GLU HA 1 1 4 1386 1 1 6 GLU HB2 H -2.372 -7.450 5.207 1.00 . A A . 63 GLU HB2 1 1 4 1387 1 1 6 GLU HB3 H -0.877 -6.523 5.233 1.00 . A A . 63 GLU HB3 1 1 4 1388 1 1 6 GLU HG2 H -2.073 -4.480 4.822 1.00 . A A . 63 GLU HG2 1 1 4 1389 1 1 6 GLU HG3 H -3.580 -5.364 4.608 1.00 . A A . 63 GLU HG3 1 1 4 1390 1 1 6 GLU N N -1.155 -5.602 2.670 1.00 . A A . 63 GLU N 1 1 4 1391 1 1 6 GLU O O -3.448 -8.324 2.622 1.00 . A A . 63 GLU O 1 1 4 1392 1 1 6 GLU OE1 O -1.981 -4.928 7.385 1.00 . A A . 63 GLU OE1 1 1 4 1393 1 1 6 GLU OE2 O -4.089 -5.403 7.022 1.00 . A A . 63 GLU OE2 1 1 4 1394 1 1 7 ARG C C -5.197 -6.894 0.305 1.00 . A A . 64 ARG C 1 1 4 1395 1 1 7 ARG CA C -5.118 -6.299 1.713 1.00 . A A . 64 ARG CA 1 1 4 1396 1 1 7 ARG CB C -5.842 -4.960 1.777 1.00 . A A . 64 ARG CB 1 1 4 1397 1 1 7 ARG CD C -6.771 -3.169 3.279 1.00 . A A . 64 ARG CD 1 1 4 1398 1 1 7 ARG CG C -5.842 -4.364 3.169 1.00 . A A . 64 ARG CG 1 1 4 1399 1 1 7 ARG CZ C -9.210 -2.799 3.368 1.00 . A A . 64 ARG CZ 1 1 4 1400 1 1 7 ARG H H -3.369 -5.245 2.197 1.00 . A A . 64 ARG H 1 1 4 1401 1 1 7 ARG HA H -5.612 -6.978 2.390 1.00 . A A . 64 ARG HA 1 1 4 1402 1 1 7 ARG HB2 H -5.359 -4.262 1.109 1.00 . A A . 64 ARG HB2 1 1 4 1403 1 1 7 ARG HB3 H -6.862 -5.098 1.467 1.00 . A A . 64 ARG HB3 1 1 4 1404 1 1 7 ARG HD2 H -6.738 -2.803 4.294 1.00 . A A . 64 ARG HD2 1 1 4 1405 1 1 7 ARG HD3 H -6.421 -2.397 2.604 1.00 . A A . 64 ARG HD3 1 1 4 1406 1 1 7 ARG HE H -8.308 -4.270 2.339 1.00 . A A . 64 ARG HE 1 1 4 1407 1 1 7 ARG HG2 H -6.150 -5.119 3.869 1.00 . A A . 64 ARG HG2 1 1 4 1408 1 1 7 ARG HG3 H -4.838 -4.044 3.408 1.00 . A A . 64 ARG HG3 1 1 4 1409 1 1 7 ARG HH11 H -8.138 -1.613 4.622 1.00 . A A . 64 ARG HH11 1 1 4 1410 1 1 7 ARG HH12 H -9.846 -1.292 4.569 1.00 . A A . 64 ARG HH12 1 1 4 1411 1 1 7 ARG HH21 H -10.556 -3.864 2.295 1.00 . A A . 64 ARG HH21 1 1 4 1412 1 1 7 ARG HH22 H -11.226 -2.573 3.252 1.00 . A A . 64 ARG HH22 1 1 4 1413 1 1 7 ARG N N -3.764 -6.138 2.194 1.00 . A A . 64 ARG N 1 1 4 1414 1 1 7 ARG NE N -8.156 -3.497 2.942 1.00 . A A . 64 ARG NE 1 1 4 1415 1 1 7 ARG NH1 N -9.054 -1.825 4.257 1.00 . A A . 64 ARG NH1 1 1 4 1416 1 1 7 ARG NH2 N -10.426 -3.107 2.938 1.00 . A A . 64 ARG NH2 1 1 4 1417 1 1 7 ARG O O -6.095 -7.688 0.041 1.00 . A A . 64 ARG O 1 1 4 1418 1 1 8 CYS C C -3.090 -7.637 -2.517 1.00 . A A . 65 CYS C 1 1 4 1419 1 1 8 CYS CA C -4.422 -7.117 -1.964 1.00 . A A . 65 CYS CA 1 1 4 1420 1 1 8 CYS CB C -5.075 -6.122 -2.932 1.00 . A A . 65 CYS CB 1 1 4 1421 1 1 8 CYS H H -3.569 -5.894 -0.411 1.00 . A A . 65 CYS H 1 1 4 1422 1 1 8 CYS HA H -5.084 -7.965 -1.869 1.00 . A A . 65 CYS HA 1 1 4 1423 1 1 8 CYS HB2 H -5.362 -6.639 -3.836 1.00 . A A . 65 CYS HB2 1 1 4 1424 1 1 8 CYS HB3 H -5.962 -5.712 -2.464 1.00 . A A . 65 CYS HB3 1 1 4 1425 1 1 8 CYS N N -4.299 -6.536 -0.622 1.00 . A A . 65 CYS N 1 1 4 1426 1 1 8 CYS O O -3.053 -8.239 -3.593 1.00 . A A . 65 CYS O 1 1 4 1427 1 1 8 CYS SG S -4.027 -4.744 -3.407 1.00 . A A . 65 CYS SG 1 1 4 1428 1 1 9 GLY C C 0.181 -7.076 -2.943 1.00 . A A . 66 GLY C 1 1 4 1429 1 1 9 GLY CA C -0.730 -8.013 -2.166 1.00 . A A . 66 GLY CA 1 1 4 1430 1 1 9 GLY H H -2.068 -6.891 -0.964 1.00 . A A . 66 GLY H 1 1 4 1431 1 1 9 GLY HA2 H -0.213 -8.322 -1.267 1.00 . A A . 66 GLY HA2 1 1 4 1432 1 1 9 GLY HA3 H -0.926 -8.888 -2.776 1.00 . A A . 66 GLY HA3 1 1 4 1433 1 1 9 GLY N N -2.005 -7.425 -1.785 1.00 . A A . 66 GLY N 1 1 4 1434 1 1 9 GLY O O 1.354 -7.389 -3.153 1.00 . A A . 66 GLY O 1 1 4 1435 1 1 10 LYS C C 1.475 -4.254 -3.317 1.00 . A A . 67 LYS C 1 1 4 1436 1 1 10 LYS CA C 0.470 -5.011 -4.177 1.00 . A A . 67 LYS CA 1 1 4 1437 1 1 10 LYS CB C -0.409 -4.031 -4.953 1.00 . A A . 67 LYS CB 1 1 4 1438 1 1 10 LYS CD C -0.499 -5.658 -6.879 1.00 . A A . 67 LYS CD 1 1 4 1439 1 1 10 LYS CE C 0.629 -4.965 -7.624 1.00 . A A . 67 LYS CE 1 1 4 1440 1 1 10 LYS CG C -1.285 -4.693 -6.006 1.00 . A A . 67 LYS CG 1 1 4 1441 1 1 10 LYS H H -1.259 -5.702 -3.144 1.00 . A A . 67 LYS H 1 1 4 1442 1 1 10 LYS HA H 1.023 -5.610 -4.887 1.00 . A A . 67 LYS HA 1 1 4 1443 1 1 10 LYS HB2 H -1.052 -3.514 -4.256 1.00 . A A . 67 LYS HB2 1 1 4 1444 1 1 10 LYS HB3 H 0.225 -3.310 -5.447 1.00 . A A . 67 LYS HB3 1 1 4 1445 1 1 10 LYS HD2 H -0.081 -6.431 -6.253 1.00 . A A . 67 LYS HD2 1 1 4 1446 1 1 10 LYS HD3 H -1.171 -6.102 -7.597 1.00 . A A . 67 LYS HD3 1 1 4 1447 1 1 10 LYS HE2 H 1.285 -4.497 -6.906 1.00 . A A . 67 LYS HE2 1 1 4 1448 1 1 10 LYS HE3 H 1.176 -5.707 -8.177 1.00 . A A . 67 LYS HE3 1 1 4 1449 1 1 10 LYS HG2 H -2.078 -5.232 -5.515 1.00 . A A . 67 LYS HG2 1 1 4 1450 1 1 10 LYS HG3 H -1.703 -3.925 -6.636 1.00 . A A . 67 LYS HG3 1 1 4 1451 1 1 10 LYS HZ1 H 0.935 -3.467 -9.046 1.00 . A A . 67 LYS HZ1 1 1 4 1452 1 1 10 LYS HZ2 H -0.420 -3.209 -8.058 1.00 . A A . 67 LYS HZ2 1 1 4 1453 1 1 10 LYS HZ3 H -0.478 -4.374 -9.290 1.00 . A A . 67 LYS HZ3 1 1 4 1454 1 1 10 LYS N N -0.334 -5.931 -3.372 1.00 . A A . 67 LYS N 1 1 4 1455 1 1 10 LYS NZ N 0.133 -3.932 -8.568 1.00 . A A . 67 LYS NZ 1 1 4 1456 1 1 10 LYS O O 1.177 -3.858 -2.191 1.00 . A A . 67 LYS O 1 1 4 1457 1 1 11 ARG C C 4.029 -2.030 -3.514 1.00 . A A . 68 ARG C 1 1 4 1458 1 1 11 ARG CA C 3.772 -3.474 -3.125 1.00 . A A . 68 ARG CA 1 1 4 1459 1 1 11 ARG CB C 5.023 -4.278 -3.391 1.00 . A A . 68 ARG CB 1 1 4 1460 1 1 11 ARG CD C 6.141 -6.491 -3.206 1.00 . A A . 68 ARG CD 1 1 4 1461 1 1 11 ARG CG C 4.869 -5.707 -2.977 1.00 . A A . 68 ARG CG 1 1 4 1462 1 1 11 ARG CZ C 6.830 -8.662 -2.258 1.00 . A A . 68 ARG CZ 1 1 4 1463 1 1 11 ARG H H 2.838 -4.385 -4.764 1.00 . A A . 68 ARG H 1 1 4 1464 1 1 11 ARG HA H 3.543 -3.522 -2.073 1.00 . A A . 68 ARG HA 1 1 4 1465 1 1 11 ARG HB2 H 5.250 -4.246 -4.449 1.00 . A A . 68 ARG HB2 1 1 4 1466 1 1 11 ARG HB3 H 5.838 -3.850 -2.835 1.00 . A A . 68 ARG HB3 1 1 4 1467 1 1 11 ARG HD2 H 6.446 -6.370 -4.235 1.00 . A A . 68 ARG HD2 1 1 4 1468 1 1 11 ARG HD3 H 6.904 -6.100 -2.557 1.00 . A A . 68 ARG HD3 1 1 4 1469 1 1 11 ARG HE H 5.138 -8.336 -3.282 1.00 . A A . 68 ARG HE 1 1 4 1470 1 1 11 ARG HG2 H 4.623 -5.720 -1.927 1.00 . A A . 68 ARG HG2 1 1 4 1471 1 1 11 ARG HG3 H 4.069 -6.152 -3.549 1.00 . A A . 68 ARG HG3 1 1 4 1472 1 1 11 ARG HH11 H 8.083 -7.127 -1.814 1.00 . A A . 68 ARG HH11 1 1 4 1473 1 1 11 ARG HH12 H 8.576 -8.686 -1.221 1.00 . A A . 68 ARG HH12 1 1 4 1474 1 1 11 ARG HH21 H 5.763 -10.372 -2.490 1.00 . A A . 68 ARG HH21 1 1 4 1475 1 1 11 ARG HH22 H 7.256 -10.538 -1.601 1.00 . A A . 68 ARG HH22 1 1 4 1476 1 1 11 ARG N N 2.673 -4.074 -3.855 1.00 . A A . 68 ARG N 1 1 4 1477 1 1 11 ARG NE N 5.957 -7.912 -2.928 1.00 . A A . 68 ARG NE 1 1 4 1478 1 1 11 ARG NH1 N 7.914 -8.114 -1.720 1.00 . A A . 68 ARG NH1 1 1 4 1479 1 1 11 ARG NH2 N 6.597 -9.957 -2.104 1.00 . A A . 68 ARG NH2 1 1 4 1480 1 1 11 ARG O O 3.642 -1.574 -4.590 1.00 . A A . 68 ARG O 1 1 4 1481 1 1 12 PHE C C 6.447 0.296 -2.114 1.00 . A A . 69 PHE C 1 1 4 1482 1 1 12 PHE CA C 5.147 0.038 -2.835 1.00 . A A . 69 PHE CA 1 1 4 1483 1 1 12 PHE CB C 4.087 1.037 -2.379 1.00 . A A . 69 PHE CB 1 1 4 1484 1 1 12 PHE CD1 C 3.168 2.054 -4.478 1.00 . A A . 69 PHE CD1 1 1 4 1485 1 1 12 PHE CD2 C 1.783 0.571 -3.232 1.00 . A A . 69 PHE CD2 1 1 4 1486 1 1 12 PHE CE1 C 2.150 2.238 -5.390 1.00 . A A . 69 PHE CE1 1 1 4 1487 1 1 12 PHE CE2 C 0.764 0.749 -4.143 1.00 . A A . 69 PHE CE2 1 1 4 1488 1 1 12 PHE CG C 2.995 1.219 -3.390 1.00 . A A . 69 PHE CG 1 1 4 1489 1 1 12 PHE CZ C 1.008 1.530 -5.298 1.00 . A A . 69 PHE CZ 1 1 4 1490 1 1 12 PHE H H 4.989 -1.794 -1.789 1.00 . A A . 69 PHE H 1 1 4 1491 1 1 12 PHE HA H 5.322 0.179 -3.889 1.00 . A A . 69 PHE HA 1 1 4 1492 1 1 12 PHE HB2 H 3.642 0.686 -1.459 1.00 . A A . 69 PHE HB2 1 1 4 1493 1 1 12 PHE HB3 H 4.554 1.998 -2.212 1.00 . A A . 69 PHE HB3 1 1 4 1494 1 1 12 PHE HD1 H 4.113 2.566 -4.610 1.00 . A A . 69 PHE HD1 1 1 4 1495 1 1 12 PHE HD2 H 1.640 -0.085 -2.387 1.00 . A A . 69 PHE HD2 1 1 4 1496 1 1 12 PHE HE1 H 2.295 2.892 -6.236 1.00 . A A . 69 PHE HE1 1 1 4 1497 1 1 12 PHE HE2 H -0.177 0.237 -4.009 1.00 . A A . 69 PHE HE2 1 1 4 1498 1 1 12 PHE HZ H 0.233 1.648 -6.041 1.00 . A A . 69 PHE HZ 1 1 4 1499 1 1 12 PHE N N 4.727 -1.342 -2.624 1.00 . A A . 69 PHE N 1 1 4 1500 1 1 12 PHE O O 6.675 -0.177 -1.001 1.00 . A A . 69 PHE O 1 1 4 1501 1 1 13 VAL C C 8.540 2.373 -1.200 1.00 . A A . 70 VAL C 1 1 4 1502 1 1 13 VAL CA C 8.611 1.349 -2.321 1.00 . A A . 70 VAL CA 1 1 4 1503 1 1 13 VAL CB C 9.447 1.898 -3.489 1.00 . A A . 70 VAL CB 1 1 4 1504 1 1 13 VAL CG1 C 10.826 2.276 -3.024 1.00 . A A . 70 VAL CG1 1 1 4 1505 1 1 13 VAL CG2 C 9.518 0.885 -4.620 1.00 . A A . 70 VAL CG2 1 1 4 1506 1 1 13 VAL H H 7.028 1.384 -3.654 1.00 . A A . 70 VAL H 1 1 4 1507 1 1 13 VAL HA H 9.075 0.445 -1.957 1.00 . A A . 70 VAL HA 1 1 4 1508 1 1 13 VAL HB H 8.963 2.788 -3.865 1.00 . A A . 70 VAL HB 1 1 4 1509 1 1 13 VAL HG11 H 11.335 1.395 -2.673 1.00 . A A . 70 VAL HG11 1 1 4 1510 1 1 13 VAL HG12 H 10.741 2.989 -2.223 1.00 . A A . 70 VAL HG12 1 1 4 1511 1 1 13 VAL HG13 H 11.371 2.712 -3.844 1.00 . A A . 70 VAL HG13 1 1 4 1512 1 1 13 VAL HG21 H 10.105 1.292 -5.431 1.00 . A A . 70 VAL HG21 1 1 4 1513 1 1 13 VAL HG22 H 8.521 0.668 -4.972 1.00 . A A . 70 VAL HG22 1 1 4 1514 1 1 13 VAL HG23 H 9.980 -0.024 -4.261 1.00 . A A . 70 VAL HG23 1 1 4 1515 1 1 13 VAL N N 7.298 1.030 -2.792 1.00 . A A . 70 VAL N 1 1 4 1516 1 1 13 VAL O O 9.382 2.388 -0.305 1.00 . A A . 70 VAL O 1 1 4 1517 1 1 14 GLN C C 6.240 3.790 0.713 1.00 . A A . 71 GLN C 1 1 4 1518 1 1 14 GLN CA C 7.335 4.223 -0.247 1.00 . A A . 71 GLN CA 1 1 4 1519 1 1 14 GLN CB C 6.956 5.524 -0.924 1.00 . A A . 71 GLN CB 1 1 4 1520 1 1 14 GLN CD C 8.097 7.603 -1.787 1.00 . A A . 71 GLN CD 1 1 4 1521 1 1 14 GLN CG C 8.048 6.086 -1.815 1.00 . A A . 71 GLN CG 1 1 4 1522 1 1 14 GLN H H 6.888 3.201 -1.989 1.00 . A A . 71 GLN H 1 1 4 1523 1 1 14 GLN HA H 8.260 4.354 0.294 1.00 . A A . 71 GLN HA 1 1 4 1524 1 1 14 GLN HB2 H 6.078 5.352 -1.534 1.00 . A A . 71 GLN HB2 1 1 4 1525 1 1 14 GLN HB3 H 6.723 6.239 -0.174 1.00 . A A . 71 GLN HB3 1 1 4 1526 1 1 14 GLN HE21 H 8.772 7.653 -3.656 1.00 . A A . 71 GLN HE21 1 1 4 1527 1 1 14 GLN HE22 H 8.568 9.188 -2.885 1.00 . A A . 71 GLN HE22 1 1 4 1528 1 1 14 GLN HG2 H 8.997 5.697 -1.482 1.00 . A A . 71 GLN HG2 1 1 4 1529 1 1 14 GLN HG3 H 7.868 5.765 -2.831 1.00 . A A . 71 GLN HG3 1 1 4 1530 1 1 14 GLN N N 7.528 3.229 -1.250 1.00 . A A . 71 GLN N 1 1 4 1531 1 1 14 GLN NE2 N 8.517 8.208 -2.886 1.00 . A A . 71 GLN NE2 1 1 4 1532 1 1 14 GLN O O 5.141 3.414 0.295 1.00 . A A . 71 GLN O 1 1 4 1533 1 1 14 GLN OE1 O 7.758 8.227 -0.782 1.00 . A A . 71 GLN OE1 1 1 4 1534 1 1 15 SER C C 4.338 4.322 2.917 1.00 . A A . 72 SER C 1 1 4 1535 1 1 15 SER CA C 5.617 3.507 3.055 1.00 . A A . 72 SER CA 1 1 4 1536 1 1 15 SER CB C 6.260 3.775 4.416 1.00 . A A . 72 SER CB 1 1 4 1537 1 1 15 SER H H 7.459 4.140 2.254 1.00 . A A . 72 SER H 1 1 4 1538 1 1 15 SER HA H 5.383 2.457 2.970 1.00 . A A . 72 SER HA 1 1 4 1539 1 1 15 SER HB2 H 6.268 4.839 4.604 1.00 . A A . 72 SER HB2 1 1 4 1540 1 1 15 SER HB3 H 5.691 3.276 5.187 1.00 . A A . 72 SER HB3 1 1 4 1541 1 1 15 SER HG H 8.047 3.653 5.227 1.00 . A A . 72 SER HG 1 1 4 1542 1 1 15 SER N N 6.556 3.857 2.001 1.00 . A A . 72 SER N 1 1 4 1543 1 1 15 SER O O 3.233 3.804 3.068 1.00 . A A . 72 SER O 1 1 4 1544 1 1 15 SER OG O 7.594 3.294 4.448 1.00 . A A . 72 SER OG 1 1 4 1545 1 1 16 SER C C 2.514 6.109 1.250 1.00 . A A . 73 SER C 1 1 4 1546 1 1 16 SER CA C 3.386 6.503 2.437 1.00 . A A . 73 SER CA 1 1 4 1547 1 1 16 SER CB C 3.905 7.932 2.282 1.00 . A A . 73 SER CB 1 1 4 1548 1 1 16 SER H H 5.412 5.937 2.448 1.00 . A A . 73 SER H 1 1 4 1549 1 1 16 SER HA H 2.790 6.444 3.336 1.00 . A A . 73 SER HA 1 1 4 1550 1 1 16 SER HB2 H 3.112 8.564 1.911 1.00 . A A . 73 SER HB2 1 1 4 1551 1 1 16 SER HB3 H 4.238 8.298 3.242 1.00 . A A . 73 SER HB3 1 1 4 1552 1 1 16 SER HG H 5.083 8.884 1.032 1.00 . A A . 73 SER HG 1 1 4 1553 1 1 16 SER N N 4.505 5.596 2.591 1.00 . A A . 73 SER N 1 1 4 1554 1 1 16 SER O O 1.297 6.219 1.314 1.00 . A A . 73 SER O 1 1 4 1555 1 1 16 SER OG O 4.992 7.980 1.371 1.00 . A A . 73 SER OG 1 1 4 1556 1 1 17 GLN C C 1.653 3.964 -0.823 1.00 . A A . 74 GLN C 1 1 4 1557 1 1 17 GLN CA C 2.404 5.267 -1.023 1.00 . A A . 74 GLN CA 1 1 4 1558 1 1 17 GLN CB C 3.351 5.168 -2.222 1.00 . A A . 74 GLN CB 1 1 4 1559 1 1 17 GLN CD C 3.138 7.622 -2.811 1.00 . A A . 74 GLN CD 1 1 4 1560 1 1 17 GLN CG C 4.081 6.468 -2.522 1.00 . A A . 74 GLN CG 1 1 4 1561 1 1 17 GLN H H 4.094 5.430 0.225 1.00 . A A . 74 GLN H 1 1 4 1562 1 1 17 GLN HA H 1.688 6.055 -1.205 1.00 . A A . 74 GLN HA 1 1 4 1563 1 1 17 GLN HB2 H 4.089 4.403 -2.022 1.00 . A A . 74 GLN HB2 1 1 4 1564 1 1 17 GLN HB3 H 2.779 4.891 -3.098 1.00 . A A . 74 GLN HB3 1 1 4 1565 1 1 17 GLN HE21 H 1.839 6.387 -3.681 1.00 . A A . 74 GLN HE21 1 1 4 1566 1 1 17 GLN HE22 H 1.373 8.060 -3.626 1.00 . A A . 74 GLN HE22 1 1 4 1567 1 1 17 GLN HG2 H 4.690 6.727 -1.669 1.00 . A A . 74 GLN HG2 1 1 4 1568 1 1 17 GLN HG3 H 4.717 6.317 -3.383 1.00 . A A . 74 GLN HG3 1 1 4 1569 1 1 17 GLN N N 3.134 5.607 0.186 1.00 . A A . 74 GLN N 1 1 4 1570 1 1 17 GLN NE2 N 2.007 7.328 -3.434 1.00 . A A . 74 GLN NE2 1 1 4 1571 1 1 17 GLN O O 0.573 3.770 -1.369 1.00 . A A . 74 GLN O 1 1 4 1572 1 1 17 GLN OE1 O 3.435 8.774 -2.499 1.00 . A A . 74 GLN OE1 1 1 4 1573 1 1 18 LEU C C 0.380 2.155 1.234 1.00 . A A . 75 LEU C 1 1 4 1574 1 1 18 LEU CA C 1.571 1.841 0.339 1.00 . A A . 75 LEU CA 1 1 4 1575 1 1 18 LEU CB C 2.575 0.911 1.045 1.00 . A A . 75 LEU CB 1 1 4 1576 1 1 18 LEU CD1 C 0.952 -0.828 1.859 1.00 . A A . 75 LEU CD1 1 1 4 1577 1 1 18 LEU CD2 C 2.096 -1.135 -0.330 1.00 . A A . 75 LEU CD2 1 1 4 1578 1 1 18 LEU CG C 2.225 -0.583 1.079 1.00 . A A . 75 LEU CG 1 1 4 1579 1 1 18 LEU H H 3.115 3.273 0.353 1.00 . A A . 75 LEU H 1 1 4 1580 1 1 18 LEU HA H 1.213 1.378 -0.567 1.00 . A A . 75 LEU HA 1 1 4 1581 1 1 18 LEU HB2 H 3.532 1.017 0.549 1.00 . A A . 75 LEU HB2 1 1 4 1582 1 1 18 LEU HB3 H 2.683 1.252 2.069 1.00 . A A . 75 LEU HB3 1 1 4 1583 1 1 18 LEU HD11 H 0.725 -1.884 1.858 1.00 . A A . 75 LEU HD11 1 1 4 1584 1 1 18 LEU HD12 H 0.142 -0.282 1.392 1.00 . A A . 75 LEU HD12 1 1 4 1585 1 1 18 LEU HD13 H 1.082 -0.483 2.874 1.00 . A A . 75 LEU HD13 1 1 4 1586 1 1 18 LEU HD21 H 3.041 -1.033 -0.842 1.00 . A A . 75 LEU HD21 1 1 4 1587 1 1 18 LEU HD22 H 1.336 -0.585 -0.866 1.00 . A A . 75 LEU HD22 1 1 4 1588 1 1 18 LEU HD23 H 1.821 -2.178 -0.284 1.00 . A A . 75 LEU HD23 1 1 4 1589 1 1 18 LEU HG H 3.023 -1.120 1.573 1.00 . A A . 75 LEU HG 1 1 4 1590 1 1 18 LEU N N 2.225 3.084 -0.013 1.00 . A A . 75 LEU N 1 1 4 1591 1 1 18 LEU O O -0.700 1.579 1.087 1.00 . A A . 75 LEU O 1 1 4 1592 1 1 19 ALA C C -1.544 4.276 2.171 1.00 . A A . 76 ALA C 1 1 4 1593 1 1 19 ALA CA C -0.503 3.546 2.998 1.00 . A A . 76 ALA CA 1 1 4 1594 1 1 19 ALA CB C 0.028 4.431 4.113 1.00 . A A . 76 ALA CB 1 1 4 1595 1 1 19 ALA H H 1.474 3.477 2.257 1.00 . A A . 76 ALA H 1 1 4 1596 1 1 19 ALA HA H -0.974 2.674 3.441 1.00 . A A . 76 ALA HA 1 1 4 1597 1 1 19 ALA HB1 H 0.786 3.898 4.666 1.00 . A A . 76 ALA HB1 1 1 4 1598 1 1 19 ALA HB2 H -0.781 4.700 4.775 1.00 . A A . 76 ALA HB2 1 1 4 1599 1 1 19 ALA HB3 H 0.457 5.327 3.687 1.00 . A A . 76 ALA HB3 1 1 4 1600 1 1 19 ALA N N 0.577 3.091 2.147 1.00 . A A . 76 ALA N 1 1 4 1601 1 1 19 ALA O O -2.734 4.113 2.404 1.00 . A A . 76 ALA O 1 1 4 1602 1 1 20 ASN C C -2.836 4.645 -0.464 1.00 . A A . 77 ASN C 1 1 4 1603 1 1 20 ASN CA C -2.041 5.706 0.273 1.00 . A A . 77 ASN CA 1 1 4 1604 1 1 20 ASN CB C -1.321 6.603 -0.739 1.00 . A A . 77 ASN CB 1 1 4 1605 1 1 20 ASN CG C -0.745 7.859 -0.118 1.00 . A A . 77 ASN CG 1 1 4 1606 1 1 20 ASN H H -0.127 5.219 1.086 1.00 . A A . 77 ASN H 1 1 4 1607 1 1 20 ASN HA H -2.720 6.307 0.861 1.00 . A A . 77 ASN HA 1 1 4 1608 1 1 20 ASN HB2 H -0.512 6.048 -1.187 1.00 . A A . 77 ASN HB2 1 1 4 1609 1 1 20 ASN HB3 H -2.020 6.896 -1.509 1.00 . A A . 77 ASN HB3 1 1 4 1610 1 1 20 ASN HD21 H 0.623 7.955 -1.553 1.00 . A A . 77 ASN HD21 1 1 4 1611 1 1 20 ASN HD22 H 0.693 9.214 -0.353 1.00 . A A . 77 ASN HD22 1 1 4 1612 1 1 20 ASN N N -1.102 5.062 1.190 1.00 . A A . 77 ASN N 1 1 4 1613 1 1 20 ASN ND2 N 0.292 8.395 -0.736 1.00 . A A . 77 ASN ND2 1 1 4 1614 1 1 20 ASN O O -4.051 4.752 -0.621 1.00 . A A . 77 ASN O 1 1 4 1615 1 1 20 ASN OD1 O -1.237 8.353 0.897 1.00 . A A . 77 ASN OD1 1 1 4 1616 1 1 21 HIS C C -3.860 1.865 -0.759 1.00 . A A . 78 HIS C 1 1 4 1617 1 1 21 HIS CA C -2.719 2.471 -1.575 1.00 . A A . 78 HIS CA 1 1 4 1618 1 1 21 HIS CB C -1.617 1.438 -1.804 1.00 . A A . 78 HIS CB 1 1 4 1619 1 1 21 HIS CD2 C -2.413 -1.001 -1.827 1.00 . A A . 78 HIS CD2 1 1 4 1620 1 1 21 HIS CE1 C -2.500 -1.335 -3.961 1.00 . A A . 78 HIS CE1 1 1 4 1621 1 1 21 HIS CG C -2.063 0.159 -2.422 1.00 . A A . 78 HIS CG 1 1 4 1622 1 1 21 HIS H H -1.151 3.601 -0.732 1.00 . A A . 78 HIS H 1 1 4 1623 1 1 21 HIS HA H -3.098 2.807 -2.527 1.00 . A A . 78 HIS HA 1 1 4 1624 1 1 21 HIS HB2 H -0.862 1.865 -2.444 1.00 . A A . 78 HIS HB2 1 1 4 1625 1 1 21 HIS HB3 H -1.169 1.198 -0.846 1.00 . A A . 78 HIS HB3 1 1 4 1626 1 1 21 HIS HD1 H -1.948 0.594 -4.487 1.00 . A A . 78 HIS HD1 1 1 4 1627 1 1 21 HIS HD2 H -2.473 -1.173 -0.761 1.00 . A A . 78 HIS HD2 1 1 4 1628 1 1 21 HIS HE1 H -2.632 -1.799 -4.928 1.00 . A A . 78 HIS HE1 1 1 4 1629 1 1 21 HIS N N -2.129 3.607 -0.888 1.00 . A A . 78 HIS N 1 1 4 1630 1 1 21 HIS ND1 N -2.129 -0.068 -3.777 1.00 . A A . 78 HIS ND1 1 1 4 1631 1 1 21 HIS NE2 N -2.689 -1.953 -2.799 1.00 . A A . 78 HIS NE2 1 1 4 1632 1 1 21 HIS O O -4.973 1.689 -1.252 1.00 . A A . 78 HIS O 1 1 4 1633 1 1 22 ILE C C -5.592 1.904 1.872 1.00 . A A . 79 ILE C 1 1 4 1634 1 1 22 ILE CA C -4.539 0.916 1.363 1.00 . A A . 79 ILE CA 1 1 4 1635 1 1 22 ILE CB C -3.816 0.237 2.527 1.00 . A A . 79 ILE CB 1 1 4 1636 1 1 22 ILE CD1 C -2.264 -1.697 3.010 1.00 . A A . 79 ILE CD1 1 1 4 1637 1 1 22 ILE CG1 C -2.979 -0.903 1.963 1.00 . A A . 79 ILE CG1 1 1 4 1638 1 1 22 ILE CG2 C -4.796 -0.261 3.577 1.00 . A A . 79 ILE CG2 1 1 4 1639 1 1 22 ILE H H -2.670 1.739 0.839 1.00 . A A . 79 ILE H 1 1 4 1640 1 1 22 ILE HA H -5.035 0.139 0.791 1.00 . A A . 79 ILE HA 1 1 4 1641 1 1 22 ILE HB H -3.161 0.958 2.989 1.00 . A A . 79 ILE HB 1 1 4 1642 1 1 22 ILE HD11 H -2.990 -2.110 3.694 1.00 . A A . 79 ILE HD11 1 1 4 1643 1 1 22 ILE HD12 H -1.585 -1.048 3.542 1.00 . A A . 79 ILE HD12 1 1 4 1644 1 1 22 ILE HD13 H -1.712 -2.499 2.534 1.00 . A A . 79 ILE HD13 1 1 4 1645 1 1 22 ILE HG12 H -3.624 -1.580 1.419 1.00 . A A . 79 ILE HG12 1 1 4 1646 1 1 22 ILE HG13 H -2.235 -0.496 1.288 1.00 . A A . 79 ILE HG13 1 1 4 1647 1 1 22 ILE HG21 H -5.367 0.573 3.956 1.00 . A A . 79 ILE HG21 1 1 4 1648 1 1 22 ILE HG22 H -4.250 -0.723 4.384 1.00 . A A . 79 ILE HG22 1 1 4 1649 1 1 22 ILE HG23 H -5.464 -0.983 3.132 1.00 . A A . 79 ILE HG23 1 1 4 1650 1 1 22 ILE N N -3.572 1.551 0.491 1.00 . A A . 79 ILE N 1 1 4 1651 1 1 22 ILE O O -6.744 1.533 2.094 1.00 . A A . 79 ILE O 1 1 4 1652 1 1 23 ARG C C -7.117 4.473 1.237 1.00 . A A . 80 ARG C 1 1 4 1653 1 1 23 ARG CA C -6.163 4.191 2.395 1.00 . A A . 80 ARG CA 1 1 4 1654 1 1 23 ARG CB C -5.420 5.446 2.804 1.00 . A A . 80 ARG CB 1 1 4 1655 1 1 23 ARG CD C -4.295 6.708 4.661 1.00 . A A . 80 ARG CD 1 1 4 1656 1 1 23 ARG CG C -4.874 5.379 4.220 1.00 . A A . 80 ARG CG 1 1 4 1657 1 1 23 ARG CZ C -1.946 7.363 4.317 1.00 . A A . 80 ARG CZ 1 1 4 1658 1 1 23 ARG H H -4.260 3.409 1.985 1.00 . A A . 80 ARG H 1 1 4 1659 1 1 23 ARG HA H -6.737 3.843 3.239 1.00 . A A . 80 ARG HA 1 1 4 1660 1 1 23 ARG HB2 H -4.590 5.595 2.127 1.00 . A A . 80 ARG HB2 1 1 4 1661 1 1 23 ARG HB3 H -6.081 6.274 2.729 1.00 . A A . 80 ARG HB3 1 1 4 1662 1 1 23 ARG HD2 H -5.067 7.459 4.593 1.00 . A A . 80 ARG HD2 1 1 4 1663 1 1 23 ARG HD3 H -3.969 6.620 5.685 1.00 . A A . 80 ARG HD3 1 1 4 1664 1 1 23 ARG HE H -3.320 7.209 2.865 1.00 . A A . 80 ARG HE 1 1 4 1665 1 1 23 ARG HG2 H -5.674 5.104 4.887 1.00 . A A . 80 ARG HG2 1 1 4 1666 1 1 23 ARG HG3 H -4.097 4.628 4.258 1.00 . A A . 80 ARG HG3 1 1 4 1667 1 1 23 ARG HH11 H -2.465 7.076 6.257 1.00 . A A . 80 ARG HH11 1 1 4 1668 1 1 23 ARG HH12 H -0.802 7.497 5.987 1.00 . A A . 80 ARG HH12 1 1 4 1669 1 1 23 ARG HH21 H -1.128 7.759 2.504 1.00 . A A . 80 ARG HH21 1 1 4 1670 1 1 23 ARG HH22 H -0.037 7.862 3.857 1.00 . A A . 80 ARG HH22 1 1 4 1671 1 1 23 ARG N N -5.211 3.161 2.053 1.00 . A A . 80 ARG N 1 1 4 1672 1 1 23 ARG NE N -3.162 7.118 3.836 1.00 . A A . 80 ARG NE 1 1 4 1673 1 1 23 ARG NH1 N -1.718 7.305 5.623 1.00 . A A . 80 ARG NH1 1 1 4 1674 1 1 23 ARG NH2 N -0.960 7.690 3.495 1.00 . A A . 80 ARG NH2 1 1 4 1675 1 1 23 ARG O O -8.128 5.152 1.406 1.00 . A A . 80 ARG O 1 1 4 1676 1 1 24 HIS C C -8.519 2.762 -1.220 1.00 . A A . 81 HIS C 1 1 4 1677 1 1 24 HIS CA C -7.692 4.035 -1.087 1.00 . A A . 81 HIS CA 1 1 4 1678 1 1 24 HIS CB C -6.916 4.283 -2.384 1.00 . A A . 81 HIS CB 1 1 4 1679 1 1 24 HIS CD2 C -7.012 6.871 -2.254 1.00 . A A . 81 HIS CD2 1 1 4 1680 1 1 24 HIS CE1 C -5.026 7.301 -3.068 1.00 . A A . 81 HIS CE1 1 1 4 1681 1 1 24 HIS CG C -6.421 5.686 -2.535 1.00 . A A . 81 HIS CG 1 1 4 1682 1 1 24 HIS H H -5.924 3.507 -0.046 1.00 . A A . 81 HIS H 1 1 4 1683 1 1 24 HIS HA H -8.361 4.866 -0.917 1.00 . A A . 81 HIS HA 1 1 4 1684 1 1 24 HIS HB2 H -6.060 3.627 -2.411 1.00 . A A . 81 HIS HB2 1 1 4 1685 1 1 24 HIS HB3 H -7.557 4.063 -3.226 1.00 . A A . 81 HIS HB3 1 1 4 1686 1 1 24 HIS HD1 H -4.502 5.335 -3.348 1.00 . A A . 81 HIS HD1 1 1 4 1687 1 1 24 HIS HD2 H -8.000 7.012 -1.838 1.00 . A A . 81 HIS HD2 1 1 4 1688 1 1 24 HIS HE1 H -4.150 7.827 -3.415 1.00 . A A . 81 HIS HE1 1 1 4 1689 1 1 24 HIS HE2 H -6.347 8.818 -2.671 1.00 . A A . 81 HIS HE2 1 1 4 1690 1 1 24 HIS N N -6.793 3.951 0.059 1.00 . A A . 81 HIS N 1 1 4 1691 1 1 24 HIS ND1 N -5.180 5.991 -3.045 1.00 . A A . 81 HIS ND1 1 1 4 1692 1 1 24 HIS NE2 N -6.126 7.859 -2.595 1.00 . A A . 81 HIS NE2 1 1 4 1693 1 1 24 HIS O O -9.304 2.620 -2.155 1.00 . A A . 81 HIS O 1 1 4 1694 1 1 25 HIS C C -10.488 0.808 0.307 1.00 . A A . 82 HIS C 1 1 4 1695 1 1 25 HIS CA C -9.099 0.591 -0.280 1.00 . A A . 82 HIS CA 1 1 4 1696 1 1 25 HIS CB C -8.367 -0.506 0.505 1.00 . A A . 82 HIS CB 1 1 4 1697 1 1 25 HIS CD2 C -6.406 -2.018 -0.167 1.00 . A A . 82 HIS CD2 1 1 4 1698 1 1 25 HIS CE1 C -7.202 -2.937 -1.955 1.00 . A A . 82 HIS CE1 1 1 4 1699 1 1 25 HIS CG C -7.636 -1.499 -0.344 1.00 . A A . 82 HIS CG 1 1 4 1700 1 1 25 HIS H H -7.689 2.000 0.437 1.00 . A A . 82 HIS H 1 1 4 1701 1 1 25 HIS HA H -9.206 0.273 -1.307 1.00 . A A . 82 HIS HA 1 1 4 1702 1 1 25 HIS HB2 H -7.633 -0.046 1.159 1.00 . A A . 82 HIS HB2 1 1 4 1703 1 1 25 HIS HB3 H -9.077 -1.044 1.106 1.00 . A A . 82 HIS HB3 1 1 4 1704 1 1 25 HIS HD1 H -9.033 -1.932 -1.885 1.00 . A A . 82 HIS HD1 1 1 4 1705 1 1 25 HIS HD2 H -5.726 -1.774 0.637 1.00 . A A . 82 HIS HD2 1 1 4 1706 1 1 25 HIS HE1 H -7.308 -3.550 -2.842 1.00 . A A . 82 HIS HE1 1 1 4 1707 1 1 25 HIS N N -8.340 1.837 -0.282 1.00 . A A . 82 HIS N 1 1 4 1708 1 1 25 HIS ND1 N -8.139 -2.090 -1.489 1.00 . A A . 82 HIS ND1 1 1 4 1709 1 1 25 HIS NE2 N -6.136 -2.922 -1.179 1.00 . A A . 82 HIS NE2 1 1 4 1710 1 1 25 HIS O O -10.791 0.343 1.409 1.00 . A A . 82 HIS O 1 1 4 1711 1 1 26 ASP C C -13.637 0.882 -0.838 1.00 . A A . 83 ASP C 1 1 4 1712 1 1 26 ASP CA C -12.701 1.751 -0.018 1.00 . A A . 83 ASP CA 1 1 4 1713 1 1 26 ASP CB C -13.088 3.223 -0.181 1.00 . A A . 83 ASP CB 1 1 4 1714 1 1 26 ASP CG C -12.350 4.131 0.781 1.00 . A A . 83 ASP CG 1 1 4 1715 1 1 26 ASP H H -11.008 1.896 -1.279 1.00 . A A . 83 ASP H 1 1 4 1716 1 1 26 ASP HA H -12.786 1.473 1.022 1.00 . A A . 83 ASP HA 1 1 4 1717 1 1 26 ASP HB2 H -12.860 3.539 -1.190 1.00 . A A . 83 ASP HB2 1 1 4 1718 1 1 26 ASP HB3 H -14.150 3.328 -0.003 1.00 . A A . 83 ASP HB3 1 1 4 1719 1 1 26 ASP N N -11.324 1.519 -0.429 1.00 . A A . 83 ASP N 1 1 4 1720 1 1 26 ASP O O -13.956 -0.235 -0.390 1.00 . A A . 83 ASP O 1 1 4 1721 1 1 26 ASP OXT O -14.025 1.303 -1.941 1.00 . A A . 83 ASP OXT 1 1 4 1722 1 1 26 ASP OD1 O -12.538 3.989 2.005 1.00 . A A . 83 ASP OD1 1 1 4 1723 1 1 26 ASP OD2 O -11.563 4.984 0.315 1.00 . A A . 83 ASP OD2 1 1 4 1724 2 2 1 ZN ZN ZN -4.259 -3.042 -1.875 1.00 . B A . 101 ZN ZN 1 1 5 1725 1 1 1 LYS C C 9.418 -3.521 -0.677 1.00 . A A . 58 LYS C 1 1 5 1726 1 1 1 LYS CA C 10.054 -2.887 -1.908 1.00 . A A . 58 LYS CA 1 1 5 1727 1 1 1 LYS CB C 9.018 -2.668 -3.014 1.00 . A A . 58 LYS CB 1 1 5 1728 1 1 1 LYS CD C 8.608 -1.986 -5.408 1.00 . A A . 58 LYS CD 1 1 5 1729 1 1 1 LYS CE C 9.232 -1.398 -6.668 1.00 . A A . 58 LYS CE 1 1 5 1730 1 1 1 LYS CG C 9.624 -2.091 -4.283 1.00 . A A . 58 LYS CG 1 1 5 1731 1 1 1 LYS H1 H 10.729 -4.590 -2.894 1.00 . A A . 58 LYS H1 1 1 5 1732 1 1 1 LYS H2 H 11.711 -4.105 -1.604 1.00 . A A . 58 LYS H2 1 1 5 1733 1 1 1 LYS H3 H 11.750 -3.246 -3.063 1.00 . A A . 58 LYS H3 1 1 5 1734 1 1 1 LYS HA H 10.486 -1.937 -1.627 1.00 . A A . 58 LYS HA 1 1 5 1735 1 1 1 LYS HB2 H 8.555 -3.614 -3.255 1.00 . A A . 58 LYS HB2 1 1 5 1736 1 1 1 LYS HB3 H 8.263 -1.985 -2.657 1.00 . A A . 58 LYS HB3 1 1 5 1737 1 1 1 LYS HD2 H 8.231 -2.972 -5.632 1.00 . A A . 58 LYS HD2 1 1 5 1738 1 1 1 LYS HD3 H 7.794 -1.351 -5.087 1.00 . A A . 58 LYS HD3 1 1 5 1739 1 1 1 LYS HE2 H 8.454 -1.243 -7.401 1.00 . A A . 58 LYS HE2 1 1 5 1740 1 1 1 LYS HE3 H 9.683 -0.448 -6.416 1.00 . A A . 58 LYS HE3 1 1 5 1741 1 1 1 LYS HG2 H 10.007 -1.103 -4.070 1.00 . A A . 58 LYS HG2 1 1 5 1742 1 1 1 LYS HG3 H 10.436 -2.730 -4.603 1.00 . A A . 58 LYS HG3 1 1 5 1743 1 1 1 LYS HZ1 H 9.822 -3.131 -7.680 1.00 . A A . 58 LYS HZ1 1 1 5 1744 1 1 1 LYS HZ2 H 10.936 -2.607 -6.514 1.00 . A A . 58 LYS HZ2 1 1 5 1745 1 1 1 LYS HZ3 H 10.808 -1.785 -7.990 1.00 . A A . 58 LYS HZ3 1 1 5 1746 1 1 1 LYS N N 11.135 -3.762 -2.406 1.00 . A A . 58 LYS N 1 1 5 1747 1 1 1 LYS NZ N 10.271 -2.290 -7.253 1.00 . A A . 58 LYS NZ 1 1 5 1748 1 1 1 LYS O O 8.686 -4.507 -0.777 1.00 . A A . 58 LYS O 1 1 5 1749 1 1 2 PRO C C 7.882 -3.555 2.098 1.00 . A A . 59 PRO C 1 1 5 1750 1 1 2 PRO CA C 9.374 -3.564 1.795 1.00 . A A . 59 PRO CA 1 1 5 1751 1 1 2 PRO CB C 10.119 -2.696 2.822 1.00 . A A . 59 PRO CB 1 1 5 1752 1 1 2 PRO CD C 10.371 -1.655 0.682 1.00 . A A . 59 PRO CD 1 1 5 1753 1 1 2 PRO CG C 11.013 -1.799 2.027 1.00 . A A . 59 PRO CG 1 1 5 1754 1 1 2 PRO HA H 9.740 -4.579 1.853 1.00 . A A . 59 PRO HA 1 1 5 1755 1 1 2 PRO HB2 H 9.401 -2.124 3.396 1.00 . A A . 59 PRO HB2 1 1 5 1756 1 1 2 PRO HB3 H 10.689 -3.333 3.483 1.00 . A A . 59 PRO HB3 1 1 5 1757 1 1 2 PRO HD2 H 9.652 -0.848 0.688 1.00 . A A . 59 PRO HD2 1 1 5 1758 1 1 2 PRO HD3 H 11.116 -1.495 -0.082 1.00 . A A . 59 PRO HD3 1 1 5 1759 1 1 2 PRO HG2 H 11.091 -0.837 2.511 1.00 . A A . 59 PRO HG2 1 1 5 1760 1 1 2 PRO HG3 H 11.989 -2.252 1.929 1.00 . A A . 59 PRO HG3 1 1 5 1761 1 1 2 PRO N N 9.706 -2.951 0.506 1.00 . A A . 59 PRO N 1 1 5 1762 1 1 2 PRO O O 7.320 -4.569 2.517 1.00 . A A . 59 PRO O 1 1 5 1763 1 1 3 TYR C C 4.961 -2.953 1.198 1.00 . A A . 60 TYR C 1 1 5 1764 1 1 3 TYR CA C 5.843 -2.261 2.226 1.00 . A A . 60 TYR CA 1 1 5 1765 1 1 3 TYR CB C 5.480 -0.780 2.351 1.00 . A A . 60 TYR CB 1 1 5 1766 1 1 3 TYR CD1 C 7.227 0.196 3.882 1.00 . A A . 60 TYR CD1 1 1 5 1767 1 1 3 TYR CD2 C 4.987 0.036 4.692 1.00 . A A . 60 TYR CD2 1 1 5 1768 1 1 3 TYR CE1 C 7.622 0.766 5.074 1.00 . A A . 60 TYR CE1 1 1 5 1769 1 1 3 TYR CE2 C 5.378 0.605 5.890 1.00 . A A . 60 TYR CE2 1 1 5 1770 1 1 3 TYR CG C 5.906 -0.178 3.670 1.00 . A A . 60 TYR CG 1 1 5 1771 1 1 3 TYR CZ C 6.680 0.892 6.116 1.00 . A A . 60 TYR CZ 1 1 5 1772 1 1 3 TYR H H 7.736 -1.653 1.514 1.00 . A A . 60 TYR H 1 1 5 1773 1 1 3 TYR HA H 5.682 -2.736 3.182 1.00 . A A . 60 TYR HA 1 1 5 1774 1 1 3 TYR HB2 H 5.967 -0.227 1.560 1.00 . A A . 60 TYR HB2 1 1 5 1775 1 1 3 TYR HB3 H 4.411 -0.668 2.260 1.00 . A A . 60 TYR HB3 1 1 5 1776 1 1 3 TYR HD1 H 7.951 0.036 3.096 1.00 . A A . 60 TYR HD1 1 1 5 1777 1 1 3 TYR HD2 H 3.955 -0.253 4.543 1.00 . A A . 60 TYR HD2 1 1 5 1778 1 1 3 TYR HE1 H 8.654 1.050 5.219 1.00 . A A . 60 TYR HE1 1 1 5 1779 1 1 3 TYR HE2 H 4.653 0.765 6.673 1.00 . A A . 60 TYR HE2 1 1 5 1780 1 1 3 TYR HH H 6.717 1.047 8.004 1.00 . A A . 60 TYR HH 1 1 5 1781 1 1 3 TYR N N 7.249 -2.411 1.900 1.00 . A A . 60 TYR N 1 1 5 1782 1 1 3 TYR O O 4.881 -2.530 0.046 1.00 . A A . 60 TYR O 1 1 5 1783 1 1 3 TYR OH O 7.092 1.548 7.262 1.00 . A A . 60 TYR OH 1 1 5 1784 1 1 4 VAL C C 2.034 -4.826 1.402 1.00 . A A . 61 VAL C 1 1 5 1785 1 1 4 VAL CA C 3.417 -4.785 0.783 1.00 . A A . 61 VAL CA 1 1 5 1786 1 1 4 VAL CB C 3.902 -6.232 0.573 1.00 . A A . 61 VAL CB 1 1 5 1787 1 1 4 VAL CG1 C 2.982 -6.971 -0.387 1.00 . A A . 61 VAL CG1 1 1 5 1788 1 1 4 VAL CG2 C 5.328 -6.244 0.063 1.00 . A A . 61 VAL CG2 1 1 5 1789 1 1 4 VAL H H 4.446 -4.330 2.556 1.00 . A A . 61 VAL H 1 1 5 1790 1 1 4 VAL HA H 3.361 -4.296 -0.176 1.00 . A A . 61 VAL HA 1 1 5 1791 1 1 4 VAL HB H 3.877 -6.744 1.524 1.00 . A A . 61 VAL HB 1 1 5 1792 1 1 4 VAL HG11 H 3.300 -7.997 -0.475 1.00 . A A . 61 VAL HG11 1 1 5 1793 1 1 4 VAL HG12 H 3.021 -6.496 -1.356 1.00 . A A . 61 VAL HG12 1 1 5 1794 1 1 4 VAL HG13 H 1.970 -6.937 -0.011 1.00 . A A . 61 VAL HG13 1 1 5 1795 1 1 4 VAL HG21 H 5.646 -7.261 -0.103 1.00 . A A . 61 VAL HG21 1 1 5 1796 1 1 4 VAL HG22 H 5.971 -5.775 0.791 1.00 . A A . 61 VAL HG22 1 1 5 1797 1 1 4 VAL HG23 H 5.371 -5.694 -0.865 1.00 . A A . 61 VAL HG23 1 1 5 1798 1 1 4 VAL N N 4.317 -4.032 1.629 1.00 . A A . 61 VAL N 1 1 5 1799 1 1 4 VAL O O 1.885 -5.150 2.580 1.00 . A A . 61 VAL O 1 1 5 1800 1 1 5 CYS C C -0.750 -6.001 1.278 1.00 . A A . 62 CYS C 1 1 5 1801 1 1 5 CYS CA C -0.342 -4.556 1.067 1.00 . A A . 62 CYS CA 1 1 5 1802 1 1 5 CYS CB C -1.286 -3.899 0.058 1.00 . A A . 62 CYS CB 1 1 5 1803 1 1 5 CYS H H 1.231 -4.222 -0.313 1.00 . A A . 62 CYS H 1 1 5 1804 1 1 5 CYS HA H -0.405 -4.028 2.008 1.00 . A A . 62 CYS HA 1 1 5 1805 1 1 5 CYS HB2 H -1.096 -2.842 0.025 1.00 . A A . 62 CYS HB2 1 1 5 1806 1 1 5 CYS HB3 H -1.109 -4.325 -0.920 1.00 . A A . 62 CYS HB3 1 1 5 1807 1 1 5 CYS N N 1.034 -4.495 0.610 1.00 . A A . 62 CYS N 1 1 5 1808 1 1 5 CYS O O -0.923 -6.747 0.320 1.00 . A A . 62 CYS O 1 1 5 1809 1 1 5 CYS SG S -3.034 -4.092 0.430 1.00 . A A . 62 CYS SG 1 1 5 1810 1 1 6 GLU C C -2.717 -7.998 2.319 1.00 . A A . 63 GLU C 1 1 5 1811 1 1 6 GLU CA C -1.318 -7.745 2.862 1.00 . A A . 63 GLU CA 1 1 5 1812 1 1 6 GLU CB C -1.327 -7.976 4.383 1.00 . A A . 63 GLU CB 1 1 5 1813 1 1 6 GLU CD C -0.811 -5.743 5.453 1.00 . A A . 63 GLU CD 1 1 5 1814 1 1 6 GLU CG C -0.313 -7.145 5.161 1.00 . A A . 63 GLU CG 1 1 5 1815 1 1 6 GLU H H -0.713 -5.751 3.263 1.00 . A A . 63 GLU H 1 1 5 1816 1 1 6 GLU HA H -0.629 -8.433 2.399 1.00 . A A . 63 GLU HA 1 1 5 1817 1 1 6 GLU HB2 H -2.311 -7.739 4.761 1.00 . A A . 63 GLU HB2 1 1 5 1818 1 1 6 GLU HB3 H -1.125 -9.019 4.575 1.00 . A A . 63 GLU HB3 1 1 5 1819 1 1 6 GLU HG2 H -0.103 -7.638 6.100 1.00 . A A . 63 GLU HG2 1 1 5 1820 1 1 6 GLU HG3 H 0.597 -7.075 4.581 1.00 . A A . 63 GLU HG3 1 1 5 1821 1 1 6 GLU N N -0.901 -6.393 2.531 1.00 . A A . 63 GLU N 1 1 5 1822 1 1 6 GLU O O -3.104 -9.134 2.054 1.00 . A A . 63 GLU O 1 1 5 1823 1 1 6 GLU OE1 O -0.583 -4.841 4.622 1.00 . A A . 63 GLU OE1 1 1 5 1824 1 1 6 GLU OE2 O -1.429 -5.537 6.515 1.00 . A A . 63 GLU OE2 1 1 5 1825 1 1 7 ARG C C -5.146 -7.145 0.326 1.00 . A A . 64 ARG C 1 1 5 1826 1 1 7 ARG CA C -4.866 -6.992 1.825 1.00 . A A . 64 ARG CA 1 1 5 1827 1 1 7 ARG CB C -5.575 -5.775 2.417 1.00 . A A . 64 ARG CB 1 1 5 1828 1 1 7 ARG CD C -6.234 -4.684 4.622 1.00 . A A . 64 ARG CD 1 1 5 1829 1 1 7 ARG CG C -5.283 -5.629 3.902 1.00 . A A . 64 ARG CG 1 1 5 1830 1 1 7 ARG CZ C -6.574 -3.946 6.965 1.00 . A A . 64 ARG CZ 1 1 5 1831 1 1 7 ARG H H -3.051 -6.036 2.249 1.00 . A A . 64 ARG H 1 1 5 1832 1 1 7 ARG HA H -5.249 -7.871 2.322 1.00 . A A . 64 ARG HA 1 1 5 1833 1 1 7 ARG HB2 H -5.239 -4.883 1.905 1.00 . A A . 64 ARG HB2 1 1 5 1834 1 1 7 ARG HB3 H -6.636 -5.885 2.284 1.00 . A A . 64 ARG HB3 1 1 5 1835 1 1 7 ARG HD2 H -6.043 -3.672 4.292 1.00 . A A . 64 ARG HD2 1 1 5 1836 1 1 7 ARG HD3 H -7.254 -4.961 4.391 1.00 . A A . 64 ARG HD3 1 1 5 1837 1 1 7 ARG HE H -5.433 -5.479 6.389 1.00 . A A . 64 ARG HE 1 1 5 1838 1 1 7 ARG HG2 H -5.351 -6.602 4.359 1.00 . A A . 64 ARG HG2 1 1 5 1839 1 1 7 ARG HG3 H -4.274 -5.257 4.015 1.00 . A A . 64 ARG HG3 1 1 5 1840 1 1 7 ARG HH11 H -7.614 -2.835 5.621 1.00 . A A . 64 ARG HH11 1 1 5 1841 1 1 7 ARG HH12 H -7.797 -2.355 7.283 1.00 . A A . 64 ARG HH12 1 1 5 1842 1 1 7 ARG HH21 H -5.657 -4.835 8.542 1.00 . A A . 64 ARG HH21 1 1 5 1843 1 1 7 ARG HH22 H -6.688 -3.489 8.941 1.00 . A A . 64 ARG HH22 1 1 5 1844 1 1 7 ARG N N -3.461 -6.916 2.141 1.00 . A A . 64 ARG N 1 1 5 1845 1 1 7 ARG NE N -6.029 -4.765 6.068 1.00 . A A . 64 ARG NE 1 1 5 1846 1 1 7 ARG NH1 N -7.395 -2.973 6.591 1.00 . A A . 64 ARG NH1 1 1 5 1847 1 1 7 ARG NH2 N -6.286 -4.104 8.250 1.00 . A A . 64 ARG NH2 1 1 5 1848 1 1 7 ARG O O -6.202 -7.663 -0.038 1.00 . A A . 64 ARG O 1 1 5 1849 1 1 8 CYS C C -3.133 -7.380 -2.694 1.00 . A A . 65 CYS C 1 1 5 1850 1 1 8 CYS CA C -4.442 -7.023 -1.979 1.00 . A A . 65 CYS CA 1 1 5 1851 1 1 8 CYS CB C -5.195 -5.907 -2.718 1.00 . A A . 65 CYS CB 1 1 5 1852 1 1 8 CYS H H -3.466 -6.155 -0.266 1.00 . A A . 65 CYS H 1 1 5 1853 1 1 8 CYS HA H -5.065 -7.905 -2.000 1.00 . A A . 65 CYS HA 1 1 5 1854 1 1 8 CYS HB2 H -5.524 -6.290 -3.671 1.00 . A A . 65 CYS HB2 1 1 5 1855 1 1 8 CYS HB3 H -6.060 -5.622 -2.133 1.00 . A A . 65 CYS HB3 1 1 5 1856 1 1 8 CYS N N -4.243 -6.703 -0.560 1.00 . A A . 65 CYS N 1 1 5 1857 1 1 8 CYS O O -3.076 -7.436 -3.921 1.00 . A A . 65 CYS O 1 1 5 1858 1 1 8 CYS SG S -4.245 -4.411 -3.048 1.00 . A A . 65 CYS SG 1 1 5 1859 1 1 9 GLY C C 0.016 -7.190 -3.225 1.00 . A A . 66 GLY C 1 1 5 1860 1 1 9 GLY CA C -0.845 -8.166 -2.438 1.00 . A A . 66 GLY CA 1 1 5 1861 1 1 9 GLY H H -2.147 -7.389 -0.959 1.00 . A A . 66 GLY H 1 1 5 1862 1 1 9 GLY HA2 H -0.263 -8.531 -1.603 1.00 . A A . 66 GLY HA2 1 1 5 1863 1 1 9 GLY HA3 H -1.091 -9.004 -3.078 1.00 . A A . 66 GLY HA3 1 1 5 1864 1 1 9 GLY N N -2.084 -7.604 -1.913 1.00 . A A . 66 GLY N 1 1 5 1865 1 1 9 GLY O O 1.120 -7.539 -3.640 1.00 . A A . 66 GLY O 1 1 5 1866 1 1 10 LYS C C 1.187 -4.184 -3.265 1.00 . A A . 67 LYS C 1 1 5 1867 1 1 10 LYS CA C 0.286 -4.989 -4.197 1.00 . A A . 67 LYS CA 1 1 5 1868 1 1 10 LYS CB C -0.679 -4.084 -4.951 1.00 . A A . 67 LYS CB 1 1 5 1869 1 1 10 LYS CD C -2.764 -4.052 -6.349 1.00 . A A . 67 LYS CD 1 1 5 1870 1 1 10 LYS CE C -3.546 -4.744 -7.457 1.00 . A A . 67 LYS CE 1 1 5 1871 1 1 10 LYS CG C -1.526 -4.836 -5.966 1.00 . A A . 67 LYS CG 1 1 5 1872 1 1 10 LYS H H -1.349 -5.739 -3.078 1.00 . A A . 67 LYS H 1 1 5 1873 1 1 10 LYS HA H 0.903 -5.518 -4.908 1.00 . A A . 67 LYS HA 1 1 5 1874 1 1 10 LYS HB2 H -1.338 -3.603 -4.243 1.00 . A A . 67 LYS HB2 1 1 5 1875 1 1 10 LYS HB3 H -0.111 -3.329 -5.475 1.00 . A A . 67 LYS HB3 1 1 5 1876 1 1 10 LYS HD2 H -3.398 -3.962 -5.478 1.00 . A A . 67 LYS HD2 1 1 5 1877 1 1 10 LYS HD3 H -2.468 -3.071 -6.687 1.00 . A A . 67 LYS HD3 1 1 5 1878 1 1 10 LYS HE2 H -4.379 -4.120 -7.734 1.00 . A A . 67 LYS HE2 1 1 5 1879 1 1 10 LYS HE3 H -2.896 -4.868 -8.312 1.00 . A A . 67 LYS HE3 1 1 5 1880 1 1 10 LYS HG2 H -0.940 -5.010 -6.854 1.00 . A A . 67 LYS HG2 1 1 5 1881 1 1 10 LYS HG3 H -1.826 -5.781 -5.539 1.00 . A A . 67 LYS HG3 1 1 5 1882 1 1 10 LYS HZ1 H -4.699 -5.989 -6.227 1.00 . A A . 67 LYS HZ1 1 1 5 1883 1 1 10 LYS HZ2 H -3.270 -6.707 -6.781 1.00 . A A . 67 LYS HZ2 1 1 5 1884 1 1 10 LYS HZ3 H -4.587 -6.519 -7.829 1.00 . A A . 67 LYS HZ3 1 1 5 1885 1 1 10 LYS N N -0.468 -5.977 -3.437 1.00 . A A . 67 LYS N 1 1 5 1886 1 1 10 LYS NZ N -4.059 -6.080 -7.043 1.00 . A A . 67 LYS NZ 1 1 5 1887 1 1 10 LYS O O 0.766 -3.791 -2.178 1.00 . A A . 67 LYS O 1 1 5 1888 1 1 11 ARG C C 3.968 -2.032 -3.399 1.00 . A A . 68 ARG C 1 1 5 1889 1 1 11 ARG CA C 3.406 -3.327 -2.819 1.00 . A A . 68 ARG CA 1 1 5 1890 1 1 11 ARG CB C 4.526 -4.311 -2.547 1.00 . A A . 68 ARG CB 1 1 5 1891 1 1 11 ARG CD C 6.209 -5.913 -3.464 1.00 . A A . 68 ARG CD 1 1 5 1892 1 1 11 ARG CG C 5.105 -4.923 -3.793 1.00 . A A . 68 ARG CG 1 1 5 1893 1 1 11 ARG CZ C 6.972 -7.943 -4.634 1.00 . A A . 68 ARG CZ 1 1 5 1894 1 1 11 ARG H H 2.691 -4.215 -4.584 1.00 . A A . 68 ARG H 1 1 5 1895 1 1 11 ARG HA H 2.924 -3.100 -1.888 1.00 . A A . 68 ARG HA 1 1 5 1896 1 1 11 ARG HB2 H 5.316 -3.796 -2.035 1.00 . A A . 68 ARG HB2 1 1 5 1897 1 1 11 ARG HB3 H 4.145 -5.110 -1.922 1.00 . A A . 68 ARG HB3 1 1 5 1898 1 1 11 ARG HD2 H 7.049 -5.373 -3.050 1.00 . A A . 68 ARG HD2 1 1 5 1899 1 1 11 ARG HD3 H 5.838 -6.616 -2.733 1.00 . A A . 68 ARG HD3 1 1 5 1900 1 1 11 ARG HE H 6.721 -6.142 -5.491 1.00 . A A . 68 ARG HE 1 1 5 1901 1 1 11 ARG HG2 H 4.318 -5.434 -4.325 1.00 . A A . 68 ARG HG2 1 1 5 1902 1 1 11 ARG HG3 H 5.505 -4.129 -4.399 1.00 . A A . 68 ARG HG3 1 1 5 1903 1 1 11 ARG HH11 H 6.564 -8.208 -2.670 1.00 . A A . 68 ARG HH11 1 1 5 1904 1 1 11 ARG HH12 H 7.117 -9.628 -3.504 1.00 . A A . 68 ARG HH12 1 1 5 1905 1 1 11 ARG HH21 H 7.455 -8.005 -6.602 1.00 . A A . 68 ARG HH21 1 1 5 1906 1 1 11 ARG HH22 H 7.616 -9.512 -5.750 1.00 . A A . 68 ARG HH22 1 1 5 1907 1 1 11 ARG N N 2.424 -3.953 -3.680 1.00 . A A . 68 ARG N 1 1 5 1908 1 1 11 ARG NE N 6.656 -6.648 -4.642 1.00 . A A . 68 ARG NE 1 1 5 1909 1 1 11 ARG NH1 N 6.874 -8.645 -3.512 1.00 . A A . 68 ARG NH1 1 1 5 1910 1 1 11 ARG NH2 N 7.380 -8.533 -5.749 1.00 . A A . 68 ARG NH2 1 1 5 1911 1 1 11 ARG O O 3.775 -1.720 -4.573 1.00 . A A . 68 ARG O 1 1 5 1912 1 1 12 PHE C C 6.521 0.225 -2.115 1.00 . A A . 69 PHE C 1 1 5 1913 1 1 12 PHE CA C 5.231 0.008 -2.878 1.00 . A A . 69 PHE CA 1 1 5 1914 1 1 12 PHE CB C 4.227 1.119 -2.540 1.00 . A A . 69 PHE CB 1 1 5 1915 1 1 12 PHE CD1 C 3.293 1.956 -4.709 1.00 . A A . 69 PHE CD1 1 1 5 1916 1 1 12 PHE CD2 C 1.883 0.636 -3.315 1.00 . A A . 69 PHE CD2 1 1 5 1917 1 1 12 PHE CE1 C 2.278 2.064 -5.642 1.00 . A A . 69 PHE CE1 1 1 5 1918 1 1 12 PHE CE2 C 0.863 0.743 -4.242 1.00 . A A . 69 PHE CE2 1 1 5 1919 1 1 12 PHE CG C 3.108 1.243 -3.539 1.00 . A A . 69 PHE CG 1 1 5 1920 1 1 12 PHE CZ C 1.062 1.457 -5.408 1.00 . A A . 69 PHE CZ 1 1 5 1921 1 1 12 PHE H H 4.870 -1.658 -1.655 1.00 . A A . 69 PHE H 1 1 5 1922 1 1 12 PHE HA H 5.447 0.038 -3.931 1.00 . A A . 69 PHE HA 1 1 5 1923 1 1 12 PHE HB2 H 3.786 0.914 -1.574 1.00 . A A . 69 PHE HB2 1 1 5 1924 1 1 12 PHE HB3 H 4.749 2.068 -2.505 1.00 . A A . 69 PHE HB3 1 1 5 1925 1 1 12 PHE HD1 H 4.242 2.442 -4.889 1.00 . A A . 69 PHE HD1 1 1 5 1926 1 1 12 PHE HD2 H 1.725 0.079 -2.400 1.00 . A A . 69 PHE HD2 1 1 5 1927 1 1 12 PHE HE1 H 2.436 2.625 -6.550 1.00 . A A . 69 PHE HE1 1 1 5 1928 1 1 12 PHE HE2 H -0.089 0.267 -4.056 1.00 . A A . 69 PHE HE2 1 1 5 1929 1 1 12 PHE HZ H 0.268 1.540 -6.136 1.00 . A A . 69 PHE HZ 1 1 5 1930 1 1 12 PHE N N 4.684 -1.297 -2.548 1.00 . A A . 69 PHE N 1 1 5 1931 1 1 12 PHE O O 6.718 -0.305 -1.020 1.00 . A A . 69 PHE O 1 1 5 1932 1 1 13 VAL C C 8.468 2.274 -0.976 1.00 . A A . 70 VAL C 1 1 5 1933 1 1 13 VAL CA C 8.685 1.325 -2.133 1.00 . A A . 70 VAL CA 1 1 5 1934 1 1 13 VAL CB C 9.620 2.027 -3.138 1.00 . A A . 70 VAL CB 1 1 5 1935 1 1 13 VAL CG1 C 11.064 1.891 -2.703 1.00 . A A . 70 VAL CG1 1 1 5 1936 1 1 13 VAL CG2 C 9.425 1.503 -4.548 1.00 . A A . 70 VAL CG2 1 1 5 1937 1 1 13 VAL H H 7.181 1.350 -3.606 1.00 . A A . 70 VAL H 1 1 5 1938 1 1 13 VAL HA H 9.158 0.419 -1.782 1.00 . A A . 70 VAL HA 1 1 5 1939 1 1 13 VAL HB H 9.375 3.082 -3.140 1.00 . A A . 70 VAL HB 1 1 5 1940 1 1 13 VAL HG11 H 11.182 2.316 -1.719 1.00 . A A . 70 VAL HG11 1 1 5 1941 1 1 13 VAL HG12 H 11.700 2.413 -3.402 1.00 . A A . 70 VAL HG12 1 1 5 1942 1 1 13 VAL HG13 H 11.330 0.846 -2.679 1.00 . A A . 70 VAL HG13 1 1 5 1943 1 1 13 VAL HG21 H 8.427 1.739 -4.881 1.00 . A A . 70 VAL HG21 1 1 5 1944 1 1 13 VAL HG22 H 9.565 0.433 -4.556 1.00 . A A . 70 VAL HG22 1 1 5 1945 1 1 13 VAL HG23 H 10.145 1.967 -5.207 1.00 . A A . 70 VAL HG23 1 1 5 1946 1 1 13 VAL N N 7.403 0.989 -2.725 1.00 . A A . 70 VAL N 1 1 5 1947 1 1 13 VAL O O 9.192 2.250 0.020 1.00 . A A . 70 VAL O 1 1 5 1948 1 1 14 GLN C C 6.137 3.760 0.788 1.00 . A A . 71 GLN C 1 1 5 1949 1 1 14 GLN CA C 7.206 4.173 -0.208 1.00 . A A . 71 GLN CA 1 1 5 1950 1 1 14 GLN CB C 6.737 5.368 -1.020 1.00 . A A . 71 GLN CB 1 1 5 1951 1 1 14 GLN CD C 6.965 6.703 -3.156 1.00 . A A . 71 GLN CD 1 1 5 1952 1 1 14 GLN CG C 7.407 5.477 -2.387 1.00 . A A . 71 GLN CG 1 1 5 1953 1 1 14 GLN H H 6.846 3.015 -1.882 1.00 . A A . 71 GLN H 1 1 5 1954 1 1 14 GLN HA H 8.120 4.417 0.309 1.00 . A A . 71 GLN HA 1 1 5 1955 1 1 14 GLN HB2 H 5.668 5.295 -1.169 1.00 . A A . 71 GLN HB2 1 1 5 1956 1 1 14 GLN HB3 H 6.959 6.251 -0.470 1.00 . A A . 71 GLN HB3 1 1 5 1957 1 1 14 GLN HE21 H 7.256 5.757 -4.882 1.00 . A A . 71 GLN HE21 1 1 5 1958 1 1 14 GLN HE22 H 6.694 7.390 -4.997 1.00 . A A . 71 GLN HE22 1 1 5 1959 1 1 14 GLN HG2 H 8.479 5.512 -2.254 1.00 . A A . 71 GLN HG2 1 1 5 1960 1 1 14 GLN HG3 H 7.151 4.601 -2.965 1.00 . A A . 71 GLN HG3 1 1 5 1961 1 1 14 GLN N N 7.455 3.112 -1.122 1.00 . A A . 71 GLN N 1 1 5 1962 1 1 14 GLN NE2 N 6.969 6.609 -4.476 1.00 . A A . 71 GLN NE2 1 1 5 1963 1 1 14 GLN O O 5.062 3.298 0.401 1.00 . A A . 71 GLN O 1 1 5 1964 1 1 14 GLN OE1 O 6.624 7.728 -2.569 1.00 . A A . 71 GLN OE1 1 1 5 1965 1 1 15 SER C C 4.238 4.519 2.921 1.00 . A A . 72 SER C 1 1 5 1966 1 1 15 SER CA C 5.483 3.674 3.126 1.00 . A A . 72 SER CA 1 1 5 1967 1 1 15 SER CB C 6.131 3.984 4.473 1.00 . A A . 72 SER CB 1 1 5 1968 1 1 15 SER H H 7.336 4.249 2.307 1.00 . A A . 72 SER H 1 1 5 1969 1 1 15 SER HA H 5.213 2.630 3.090 1.00 . A A . 72 SER HA 1 1 5 1970 1 1 15 SER HB2 H 5.365 4.239 5.189 1.00 . A A . 72 SER HB2 1 1 5 1971 1 1 15 SER HB3 H 6.678 3.121 4.818 1.00 . A A . 72 SER HB3 1 1 5 1972 1 1 15 SER HG H 6.673 5.846 4.826 1.00 . A A . 72 SER HG 1 1 5 1973 1 1 15 SER N N 6.439 3.934 2.066 1.00 . A A . 72 SER N 1 1 5 1974 1 1 15 SER O O 3.112 4.047 3.074 1.00 . A A . 72 SER O 1 1 5 1975 1 1 15 SER OG O 7.028 5.079 4.351 1.00 . A A . 72 SER OG 1 1 5 1976 1 1 16 SER C C 2.521 6.222 1.108 1.00 . A A . 73 SER C 1 1 5 1977 1 1 16 SER CA C 3.377 6.695 2.282 1.00 . A A . 73 SER CA 1 1 5 1978 1 1 16 SER CB C 3.956 8.078 1.998 1.00 . A A . 73 SER CB 1 1 5 1979 1 1 16 SER H H 5.381 6.084 2.444 1.00 . A A . 73 SER H 1 1 5 1980 1 1 16 SER HA H 2.761 6.746 3.169 1.00 . A A . 73 SER HA 1 1 5 1981 1 1 16 SER HB2 H 4.461 8.064 1.043 1.00 . A A . 73 SER HB2 1 1 5 1982 1 1 16 SER HB3 H 3.159 8.805 1.978 1.00 . A A . 73 SER HB3 1 1 5 1983 1 1 16 SER HG H 4.493 9.120 3.581 1.00 . A A . 73 SER HG 1 1 5 1984 1 1 16 SER N N 4.457 5.769 2.540 1.00 . A A . 73 SER N 1 1 5 1985 1 1 16 SER O O 1.299 6.285 1.165 1.00 . A A . 73 SER O 1 1 5 1986 1 1 16 SER OG O 4.890 8.444 3.005 1.00 . A A . 73 SER OG 1 1 5 1987 1 1 17 GLN C C 1.675 4.026 -0.866 1.00 . A A . 74 GLN C 1 1 5 1988 1 1 17 GLN CA C 2.450 5.301 -1.135 1.00 . A A . 74 GLN CA 1 1 5 1989 1 1 17 GLN CB C 3.412 5.090 -2.309 1.00 . A A . 74 GLN CB 1 1 5 1990 1 1 17 GLN CD C 2.017 6.187 -4.134 1.00 . A A . 74 GLN CD 1 1 5 1991 1 1 17 GLN CG C 2.708 4.925 -3.648 1.00 . A A . 74 GLN CG 1 1 5 1992 1 1 17 GLN H H 4.121 5.525 0.127 1.00 . A A . 74 GLN H 1 1 5 1993 1 1 17 GLN HA H 1.754 6.089 -1.383 1.00 . A A . 74 GLN HA 1 1 5 1994 1 1 17 GLN HB2 H 4.080 5.935 -2.379 1.00 . A A . 74 GLN HB2 1 1 5 1995 1 1 17 GLN HB3 H 3.992 4.195 -2.122 1.00 . A A . 74 GLN HB3 1 1 5 1996 1 1 17 GLN HE21 H 2.272 5.618 -6.025 1.00 . A A . 74 GLN HE21 1 1 5 1997 1 1 17 GLN HE22 H 1.453 7.128 -5.796 1.00 . A A . 74 GLN HE22 1 1 5 1998 1 1 17 GLN HG2 H 3.437 4.630 -4.385 1.00 . A A . 74 GLN HG2 1 1 5 1999 1 1 17 GLN HG3 H 1.967 4.145 -3.549 1.00 . A A . 74 GLN HG3 1 1 5 2000 1 1 17 GLN N N 3.163 5.692 0.069 1.00 . A A . 74 GLN N 1 1 5 2001 1 1 17 GLN NE2 N 1.906 6.326 -5.447 1.00 . A A . 74 GLN NE2 1 1 5 2002 1 1 17 GLN O O 0.590 3.828 -1.397 1.00 . A A . 74 GLN O 1 1 5 2003 1 1 17 GLN OE1 O 1.581 7.025 -3.344 1.00 . A A . 74 GLN OE1 1 1 5 2004 1 1 18 LEU C C 0.378 2.224 1.216 1.00 . A A . 75 LEU C 1 1 5 2005 1 1 18 LEU CA C 1.583 1.927 0.335 1.00 . A A . 75 LEU CA 1 1 5 2006 1 1 18 LEU CB C 2.577 0.994 1.043 1.00 . A A . 75 LEU CB 1 1 5 2007 1 1 18 LEU CD1 C 0.976 -0.771 1.848 1.00 . A A . 75 LEU CD1 1 1 5 2008 1 1 18 LEU CD2 C 2.035 -1.008 -0.379 1.00 . A A . 75 LEU CD2 1 1 5 2009 1 1 18 LEU CG C 2.222 -0.502 1.039 1.00 . A A . 75 LEU CG 1 1 5 2010 1 1 18 LEU H H 3.100 3.385 0.384 1.00 . A A . 75 LEU H 1 1 5 2011 1 1 18 LEU HA H 1.239 1.461 -0.576 1.00 . A A . 75 LEU HA 1 1 5 2012 1 1 18 LEU HB2 H 3.542 1.110 0.567 1.00 . A A . 75 LEU HB2 1 1 5 2013 1 1 18 LEU HB3 H 2.659 1.316 2.076 1.00 . A A . 75 LEU HB3 1 1 5 2014 1 1 18 LEU HD11 H 1.115 -0.410 2.855 1.00 . A A . 75 LEU HD11 1 1 5 2015 1 1 18 LEU HD12 H 0.777 -1.832 1.863 1.00 . A A . 75 LEU HD12 1 1 5 2016 1 1 18 LEU HD13 H 0.144 -0.250 1.391 1.00 . A A . 75 LEU HD13 1 1 5 2017 1 1 18 LEU HD21 H 1.777 -2.056 -0.358 1.00 . A A . 75 LEU HD21 1 1 5 2018 1 1 18 LEU HD22 H 2.953 -0.875 -0.934 1.00 . A A . 75 LEU HD22 1 1 5 2019 1 1 18 LEU HD23 H 1.242 -0.453 -0.859 1.00 . A A . 75 LEU HD23 1 1 5 2020 1 1 18 LEU HG H 3.032 -1.058 1.486 1.00 . A A . 75 LEU HG 1 1 5 2021 1 1 18 LEU N N 2.232 3.172 -0.016 1.00 . A A . 75 LEU N 1 1 5 2022 1 1 18 LEU O O -0.676 1.623 1.057 1.00 . A A . 75 LEU O 1 1 5 2023 1 1 19 ALA C C -1.569 4.418 2.209 1.00 . A A . 76 ALA C 1 1 5 2024 1 1 19 ALA CA C -0.596 3.544 2.978 1.00 . A A . 76 ALA CA 1 1 5 2025 1 1 19 ALA CB C -0.115 4.246 4.239 1.00 . A A . 76 ALA CB 1 1 5 2026 1 1 19 ALA H H 1.387 3.619 2.232 1.00 . A A . 76 ALA H 1 1 5 2027 1 1 19 ALA HA H -1.121 2.631 3.266 1.00 . A A . 76 ALA HA 1 1 5 2028 1 1 19 ALA HB1 H 0.573 3.605 4.769 1.00 . A A . 76 ALA HB1 1 1 5 2029 1 1 19 ALA HB2 H -0.962 4.468 4.872 1.00 . A A . 76 ALA HB2 1 1 5 2030 1 1 19 ALA HB3 H 0.383 5.165 3.970 1.00 . A A . 76 ALA HB3 1 1 5 2031 1 1 19 ALA N N 0.520 3.169 2.127 1.00 . A A . 76 ALA N 1 1 5 2032 1 1 19 ALA O O -2.745 4.492 2.555 1.00 . A A . 76 ALA O 1 1 5 2033 1 1 20 ASN C C -2.736 4.700 -0.558 1.00 . A A . 77 ASN C 1 1 5 2034 1 1 20 ASN CA C -1.969 5.757 0.228 1.00 . A A . 77 ASN CA 1 1 5 2035 1 1 20 ASN CB C -1.176 6.665 -0.718 1.00 . A A . 77 ASN CB 1 1 5 2036 1 1 20 ASN CG C -2.062 7.394 -1.707 1.00 . A A . 77 ASN CG 1 1 5 2037 1 1 20 ASN H H -0.097 5.129 1.030 1.00 . A A . 77 ASN H 1 1 5 2038 1 1 20 ASN HA H -2.668 6.350 0.798 1.00 . A A . 77 ASN HA 1 1 5 2039 1 1 20 ASN HB2 H -0.644 7.401 -0.133 1.00 . A A . 77 ASN HB2 1 1 5 2040 1 1 20 ASN HB3 H -0.467 6.066 -1.270 1.00 . A A . 77 ASN HB3 1 1 5 2041 1 1 20 ASN HD21 H -2.301 8.890 -0.417 1.00 . A A . 77 ASN HD21 1 1 5 2042 1 1 20 ASN HD22 H -3.115 9.062 -1.950 1.00 . A A . 77 ASN HD22 1 1 5 2043 1 1 20 ASN N N -1.080 5.080 1.165 1.00 . A A . 77 ASN N 1 1 5 2044 1 1 20 ASN ND2 N -2.541 8.563 -1.321 1.00 . A A . 77 ASN ND2 1 1 5 2045 1 1 20 ASN O O -3.915 4.857 -0.869 1.00 . A A . 77 ASN O 1 1 5 2046 1 1 20 ASN OD1 O -2.314 6.908 -2.809 1.00 . A A . 77 ASN OD1 1 1 5 2047 1 1 21 HIS C C -3.686 1.829 -0.508 1.00 . A A . 78 HIS C 1 1 5 2048 1 1 21 HIS CA C -2.631 2.423 -1.443 1.00 . A A . 78 HIS CA 1 1 5 2049 1 1 21 HIS CB C -1.511 1.409 -1.715 1.00 . A A . 78 HIS CB 1 1 5 2050 1 1 21 HIS CD2 C -2.302 -0.996 -1.321 1.00 . A A . 78 HIS CD2 1 1 5 2051 1 1 21 HIS CE1 C -2.475 -1.664 -3.371 1.00 . A A . 78 HIS CE1 1 1 5 2052 1 1 21 HIS CG C -1.967 0.046 -2.105 1.00 . A A . 78 HIS CG 1 1 5 2053 1 1 21 HIS H H -1.069 3.612 -0.679 1.00 . A A . 78 HIS H 1 1 5 2054 1 1 21 HIS HA H -3.094 2.704 -2.376 1.00 . A A . 78 HIS HA 1 1 5 2055 1 1 21 HIS HB2 H -0.884 1.774 -2.505 1.00 . A A . 78 HIS HB2 1 1 5 2056 1 1 21 HIS HB3 H -0.915 1.307 -0.815 1.00 . A A . 78 HIS HB3 1 1 5 2057 1 1 21 HIS HD1 H -1.918 0.143 -4.218 1.00 . A A . 78 HIS HD1 1 1 5 2058 1 1 21 HIS HD2 H -2.326 -0.988 -0.242 1.00 . A A . 78 HIS HD2 1 1 5 2059 1 1 21 HIS HE1 H -2.647 -2.273 -4.247 1.00 . A A . 78 HIS HE1 1 1 5 2060 1 1 21 HIS N N -2.040 3.611 -0.853 1.00 . A A . 78 HIS N 1 1 5 2061 1 1 21 HIS ND1 N -2.084 -0.392 -3.403 1.00 . A A . 78 HIS ND1 1 1 5 2062 1 1 21 HIS NE2 N -2.625 -2.085 -2.122 1.00 . A A . 78 HIS NE2 1 1 5 2063 1 1 21 HIS O O -4.732 1.357 -0.952 1.00 . A A . 78 HIS O 1 1 5 2064 1 1 22 ILE C C -5.504 2.317 1.927 1.00 . A A . 79 ILE C 1 1 5 2065 1 1 22 ILE CA C -4.329 1.358 1.792 1.00 . A A . 79 ILE CA 1 1 5 2066 1 1 22 ILE CB C -3.645 1.196 3.163 1.00 . A A . 79 ILE CB 1 1 5 2067 1 1 22 ILE CD1 C -2.782 -1.084 2.497 1.00 . A A . 79 ILE CD1 1 1 5 2068 1 1 22 ILE CG1 C -2.439 0.276 3.041 1.00 . A A . 79 ILE CG1 1 1 5 2069 1 1 22 ILE CG2 C -4.625 0.642 4.175 1.00 . A A . 79 ILE CG2 1 1 5 2070 1 1 22 ILE H H -2.516 2.167 1.082 1.00 . A A . 79 ILE H 1 1 5 2071 1 1 22 ILE HA H -4.691 0.386 1.472 1.00 . A A . 79 ILE HA 1 1 5 2072 1 1 22 ILE HB H -3.320 2.168 3.501 1.00 . A A . 79 ILE HB 1 1 5 2073 1 1 22 ILE HD11 H -3.215 -0.971 1.515 1.00 . A A . 79 ILE HD11 1 1 5 2074 1 1 22 ILE HD12 H -3.492 -1.562 3.151 1.00 . A A . 79 ILE HD12 1 1 5 2075 1 1 22 ILE HD13 H -1.886 -1.680 2.430 1.00 . A A . 79 ILE HD13 1 1 5 2076 1 1 22 ILE HG12 H -1.725 0.724 2.367 1.00 . A A . 79 ILE HG12 1 1 5 2077 1 1 22 ILE HG13 H -1.985 0.145 4.016 1.00 . A A . 79 ILE HG13 1 1 5 2078 1 1 22 ILE HG21 H -5.451 1.325 4.284 1.00 . A A . 79 ILE HG21 1 1 5 2079 1 1 22 ILE HG22 H -4.129 0.516 5.125 1.00 . A A . 79 ILE HG22 1 1 5 2080 1 1 22 ILE HG23 H -4.988 -0.313 3.826 1.00 . A A . 79 ILE HG23 1 1 5 2081 1 1 22 ILE N N -3.395 1.841 0.790 1.00 . A A . 79 ILE N 1 1 5 2082 1 1 22 ILE O O -6.646 1.900 2.091 1.00 . A A . 79 ILE O 1 1 5 2083 1 1 23 ARG C C -7.109 4.502 0.583 1.00 . A A . 80 ARG C 1 1 5 2084 1 1 23 ARG CA C -6.251 4.615 1.838 1.00 . A A . 80 ARG CA 1 1 5 2085 1 1 23 ARG CB C -5.594 5.975 1.928 1.00 . A A . 80 ARG CB 1 1 5 2086 1 1 23 ARG CD C -6.494 6.504 4.196 1.00 . A A . 80 ARG CD 1 1 5 2087 1 1 23 ARG CG C -5.240 6.359 3.348 1.00 . A A . 80 ARG CG 1 1 5 2088 1 1 23 ARG CZ C -7.080 6.522 6.584 1.00 . A A . 80 ARG CZ 1 1 5 2089 1 1 23 ARG H H -4.279 3.906 1.872 1.00 . A A . 80 ARG H 1 1 5 2090 1 1 23 ARG HA H -6.879 4.474 2.705 1.00 . A A . 80 ARG HA 1 1 5 2091 1 1 23 ARG HB2 H -4.686 5.964 1.341 1.00 . A A . 80 ARG HB2 1 1 5 2092 1 1 23 ARG HB3 H -6.256 6.705 1.530 1.00 . A A . 80 ARG HB3 1 1 5 2093 1 1 23 ARG HD2 H -7.070 7.341 3.827 1.00 . A A . 80 ARG HD2 1 1 5 2094 1 1 23 ARG HD3 H -7.080 5.601 4.105 1.00 . A A . 80 ARG HD3 1 1 5 2095 1 1 23 ARG HE H -5.288 7.056 5.838 1.00 . A A . 80 ARG HE 1 1 5 2096 1 1 23 ARG HG2 H -4.612 5.588 3.773 1.00 . A A . 80 ARG HG2 1 1 5 2097 1 1 23 ARG HG3 H -4.707 7.292 3.336 1.00 . A A . 80 ARG HG3 1 1 5 2098 1 1 23 ARG HH11 H -8.549 5.872 5.346 1.00 . A A . 80 ARG HH11 1 1 5 2099 1 1 23 ARG HH12 H -8.961 5.890 7.032 1.00 . A A . 80 ARG HH12 1 1 5 2100 1 1 23 ARG HH21 H -5.836 7.109 8.077 1.00 . A A . 80 ARG HH21 1 1 5 2101 1 1 23 ARG HH22 H -7.428 6.619 8.577 1.00 . A A . 80 ARG HH22 1 1 5 2102 1 1 23 ARG N N -5.220 3.607 1.866 1.00 . A A . 80 ARG N 1 1 5 2103 1 1 23 ARG NE N -6.198 6.730 5.608 1.00 . A A . 80 ARG NE 1 1 5 2104 1 1 23 ARG NH1 N -8.295 6.064 6.295 1.00 . A A . 80 ARG NH1 1 1 5 2105 1 1 23 ARG NH2 N -6.755 6.770 7.844 1.00 . A A . 80 ARG NH2 1 1 5 2106 1 1 23 ARG O O -8.242 4.980 0.547 1.00 . A A . 80 ARG O 1 1 5 2107 1 1 24 HIS C C -8.293 2.426 -1.423 1.00 . A A . 81 HIS C 1 1 5 2108 1 1 24 HIS CA C -7.317 3.587 -1.659 1.00 . A A . 81 HIS CA 1 1 5 2109 1 1 24 HIS CB C -6.347 3.265 -2.803 1.00 . A A . 81 HIS CB 1 1 5 2110 1 1 24 HIS CD2 C -7.486 4.510 -4.770 1.00 . A A . 81 HIS CD2 1 1 5 2111 1 1 24 HIS CE1 C -7.465 2.881 -6.231 1.00 . A A . 81 HIS CE1 1 1 5 2112 1 1 24 HIS CG C -6.926 3.433 -4.172 1.00 . A A . 81 HIS CG 1 1 5 2113 1 1 24 HIS H H -5.634 3.562 -0.376 1.00 . A A . 81 HIS H 1 1 5 2114 1 1 24 HIS HA H -7.882 4.474 -1.907 1.00 . A A . 81 HIS HA 1 1 5 2115 1 1 24 HIS HB2 H -5.490 3.916 -2.730 1.00 . A A . 81 HIS HB2 1 1 5 2116 1 1 24 HIS HB3 H -6.022 2.240 -2.705 1.00 . A A . 81 HIS HB3 1 1 5 2117 1 1 24 HIS HD1 H -6.591 1.514 -4.983 1.00 . A A . 81 HIS HD1 1 1 5 2118 1 1 24 HIS HD2 H -7.646 5.481 -4.323 1.00 . A A . 81 HIS HD2 1 1 5 2119 1 1 24 HIS HE1 H -7.599 2.313 -7.141 1.00 . A A . 81 HIS HE1 1 1 5 2120 1 1 24 HIS HE2 H -8.116 4.755 -6.764 1.00 . A A . 81 HIS HE2 1 1 5 2121 1 1 24 HIS N N -6.569 3.853 -0.437 1.00 . A A . 81 HIS N 1 1 5 2122 1 1 24 HIS ND1 N -6.930 2.429 -5.114 1.00 . A A . 81 HIS ND1 1 1 5 2123 1 1 24 HIS NE2 N -7.812 4.139 -6.049 1.00 . A A . 81 HIS NE2 1 1 5 2124 1 1 24 HIS O O -9.130 2.114 -2.268 1.00 . A A . 81 HIS O 1 1 5 2125 1 1 25 HIS C C -10.239 1.270 0.969 1.00 . A A . 82 HIS C 1 1 5 2126 1 1 25 HIS CA C -9.067 0.721 0.167 1.00 . A A . 82 HIS CA 1 1 5 2127 1 1 25 HIS CB C -8.312 -0.298 1.026 1.00 . A A . 82 HIS CB 1 1 5 2128 1 1 25 HIS CD2 C -6.370 -1.886 0.486 1.00 . A A . 82 HIS CD2 1 1 5 2129 1 1 25 HIS CE1 C -7.181 -2.895 -1.249 1.00 . A A . 82 HIS CE1 1 1 5 2130 1 1 25 HIS CG C -7.590 -1.352 0.260 1.00 . A A . 82 HIS CG 1 1 5 2131 1 1 25 HIS H H -7.456 2.080 0.358 1.00 . A A . 82 HIS H 1 1 5 2132 1 1 25 HIS HA H -9.443 0.231 -0.718 1.00 . A A . 82 HIS HA 1 1 5 2133 1 1 25 HIS HB2 H -7.578 0.229 1.617 1.00 . A A . 82 HIS HB2 1 1 5 2134 1 1 25 HIS HB3 H -9.001 -0.789 1.692 1.00 . A A . 82 HIS HB3 1 1 5 2135 1 1 25 HIS HD1 H -8.979 -1.838 -1.264 1.00 . A A . 82 HIS HD1 1 1 5 2136 1 1 25 HIS HD2 H -5.683 -1.592 1.270 1.00 . A A . 82 HIS HD2 1 1 5 2137 1 1 25 HIS HE1 H -7.300 -3.554 -2.095 1.00 . A A . 82 HIS HE1 1 1 5 2138 1 1 25 HIS N N -8.172 1.800 -0.253 1.00 . A A . 82 HIS N 1 1 5 2139 1 1 25 HIS ND1 N -8.097 -1.999 -0.848 1.00 . A A . 82 HIS ND1 1 1 5 2140 1 1 25 HIS NE2 N -6.117 -2.863 -0.465 1.00 . A A . 82 HIS NE2 1 1 5 2141 1 1 25 HIS O O -11.032 0.509 1.533 1.00 . A A . 82 HIS O 1 1 5 2142 1 1 26 ASP C C -12.730 3.015 1.101 1.00 . A A . 83 ASP C 1 1 5 2143 1 1 26 ASP CA C -11.393 3.251 1.789 1.00 . A A . 83 ASP CA 1 1 5 2144 1 1 26 ASP CB C -11.117 4.750 1.902 1.00 . A A . 83 ASP CB 1 1 5 2145 1 1 26 ASP CG C -12.039 5.445 2.885 1.00 . A A . 83 ASP CG 1 1 5 2146 1 1 26 ASP H H -9.662 3.140 0.577 1.00 . A A . 83 ASP H 1 1 5 2147 1 1 26 ASP HA H -11.426 2.819 2.778 1.00 . A A . 83 ASP HA 1 1 5 2148 1 1 26 ASP HB2 H -10.097 4.894 2.231 1.00 . A A . 83 ASP HB2 1 1 5 2149 1 1 26 ASP HB3 H -11.251 5.207 0.928 1.00 . A A . 83 ASP HB3 1 1 5 2150 1 1 26 ASP N N -10.328 2.592 1.042 1.00 . A A . 83 ASP N 1 1 5 2151 1 1 26 ASP O O -13.646 2.461 1.743 1.00 . A A . 83 ASP O 1 1 5 2152 1 1 26 ASP OXT O -12.837 3.334 -0.104 1.00 . A A . 83 ASP OXT 1 1 5 2153 1 1 26 ASP OD1 O -13.150 5.846 2.479 1.00 . A A . 83 ASP OD1 1 1 5 2154 1 1 26 ASP OD2 O -11.671 5.575 4.070 1.00 . A A . 83 ASP OD2 1 1 5 2155 2 2 1 ZN ZN ZN -4.266 -3.030 -1.203 1.00 . B A . 101 ZN ZN 1 1 6 2156 1 1 1 LYS C C 9.914 -3.571 1.935 1.00 . A A . 58 LYS C 1 1 6 2157 1 1 1 LYS CA C 11.027 -2.853 1.185 1.00 . A A . 58 LYS CA 1 1 6 2158 1 1 1 LYS CB C 10.559 -1.461 0.745 1.00 . A A . 58 LYS CB 1 1 6 2159 1 1 1 LYS CD C 12.876 -0.479 0.730 1.00 . A A . 58 LYS CD 1 1 6 2160 1 1 1 LYS CE C 13.980 0.099 -0.144 1.00 . A A . 58 LYS CE 1 1 6 2161 1 1 1 LYS CG C 11.595 -0.697 -0.062 1.00 . A A . 58 LYS CG 1 1 6 2162 1 1 1 LYS H1 H 10.617 -3.794 -0.629 1.00 . A A . 58 LYS H1 1 1 6 2163 1 1 1 LYS H2 H 11.778 -4.587 0.313 1.00 . A A . 58 LYS H2 1 1 6 2164 1 1 1 LYS H3 H 12.192 -3.167 -0.518 1.00 . A A . 58 LYS H3 1 1 6 2165 1 1 1 LYS HA H 11.881 -2.754 1.840 1.00 . A A . 58 LYS HA 1 1 6 2166 1 1 1 LYS HB2 H 9.670 -1.566 0.138 1.00 . A A . 58 LYS HB2 1 1 6 2167 1 1 1 LYS HB3 H 10.319 -0.882 1.623 1.00 . A A . 58 LYS HB3 1 1 6 2168 1 1 1 LYS HD2 H 12.675 0.207 1.537 1.00 . A A . 58 LYS HD2 1 1 6 2169 1 1 1 LYS HD3 H 13.204 -1.426 1.131 1.00 . A A . 58 LYS HD3 1 1 6 2170 1 1 1 LYS HE2 H 14.150 -0.569 -0.975 1.00 . A A . 58 LYS HE2 1 1 6 2171 1 1 1 LYS HE3 H 13.660 1.061 -0.515 1.00 . A A . 58 LYS HE3 1 1 6 2172 1 1 1 LYS HG2 H 11.827 -1.256 -0.955 1.00 . A A . 58 LYS HG2 1 1 6 2173 1 1 1 LYS HG3 H 11.186 0.265 -0.335 1.00 . A A . 58 LYS HG3 1 1 6 2174 1 1 1 LYS HZ1 H 16.031 0.487 -0.053 1.00 . A A . 58 LYS HZ1 1 1 6 2175 1 1 1 LYS HZ2 H 15.487 -0.608 1.125 1.00 . A A . 58 LYS HZ2 1 1 6 2176 1 1 1 LYS HZ3 H 15.167 1.049 1.290 1.00 . A A . 58 LYS HZ3 1 1 6 2177 1 1 1 LYS N N 11.432 -3.651 0.008 1.00 . A A . 58 LYS N 1 1 6 2178 1 1 1 LYS NZ N 15.253 0.267 0.606 1.00 . A A . 58 LYS NZ 1 1 6 2179 1 1 1 LYS O O 9.092 -4.253 1.322 1.00 . A A . 58 LYS O 1 1 6 2180 1 1 2 PRO C C 7.488 -3.420 4.008 1.00 . A A . 59 PRO C 1 1 6 2181 1 1 2 PRO CA C 8.855 -4.094 4.103 1.00 . A A . 59 PRO CA 1 1 6 2182 1 1 2 PRO CB C 9.429 -3.948 5.509 1.00 . A A . 59 PRO CB 1 1 6 2183 1 1 2 PRO CD C 10.803 -2.625 4.079 1.00 . A A . 59 PRO CD 1 1 6 2184 1 1 2 PRO CG C 10.203 -2.683 5.457 1.00 . A A . 59 PRO CG 1 1 6 2185 1 1 2 PRO HA H 8.760 -5.136 3.858 1.00 . A A . 59 PRO HA 1 1 6 2186 1 1 2 PRO HB2 H 8.621 -3.893 6.226 1.00 . A A . 59 PRO HB2 1 1 6 2187 1 1 2 PRO HB3 H 10.064 -4.791 5.730 1.00 . A A . 59 PRO HB3 1 1 6 2188 1 1 2 PRO HD2 H 10.839 -1.605 3.723 1.00 . A A . 59 PRO HD2 1 1 6 2189 1 1 2 PRO HD3 H 11.791 -3.061 4.076 1.00 . A A . 59 PRO HD3 1 1 6 2190 1 1 2 PRO HG2 H 9.539 -1.849 5.611 1.00 . A A . 59 PRO HG2 1 1 6 2191 1 1 2 PRO HG3 H 10.981 -2.694 6.206 1.00 . A A . 59 PRO HG3 1 1 6 2192 1 1 2 PRO N N 9.868 -3.433 3.269 1.00 . A A . 59 PRO N 1 1 6 2193 1 1 2 PRO O O 6.848 -3.133 5.023 1.00 . A A . 59 PRO O 1 1 6 2194 1 1 3 TYR C C 5.007 -3.082 1.419 1.00 . A A . 60 TYR C 1 1 6 2195 1 1 3 TYR CA C 5.806 -2.454 2.551 1.00 . A A . 60 TYR CA 1 1 6 2196 1 1 3 TYR CB C 6.111 -0.987 2.242 1.00 . A A . 60 TYR CB 1 1 6 2197 1 1 3 TYR CD1 C 5.706 0.254 4.401 1.00 . A A . 60 TYR CD1 1 1 6 2198 1 1 3 TYR CD2 C 7.942 0.042 3.609 1.00 . A A . 60 TYR CD2 1 1 6 2199 1 1 3 TYR CE1 C 6.156 0.968 5.493 1.00 . A A . 60 TYR CE1 1 1 6 2200 1 1 3 TYR CE2 C 8.400 0.754 4.696 1.00 . A A . 60 TYR CE2 1 1 6 2201 1 1 3 TYR CG C 6.594 -0.219 3.443 1.00 . A A . 60 TYR CG 1 1 6 2202 1 1 3 TYR CZ C 7.466 1.180 5.676 1.00 . A A . 60 TYR CZ 1 1 6 2203 1 1 3 TYR H H 7.560 -3.500 2.014 1.00 . A A . 60 TYR H 1 1 6 2204 1 1 3 TYR HA H 5.222 -2.505 3.458 1.00 . A A . 60 TYR HA 1 1 6 2205 1 1 3 TYR HB2 H 6.877 -0.935 1.483 1.00 . A A . 60 TYR HB2 1 1 6 2206 1 1 3 TYR HB3 H 5.216 -0.508 1.878 1.00 . A A . 60 TYR HB3 1 1 6 2207 1 1 3 TYR HD1 H 4.650 0.060 4.281 1.00 . A A . 60 TYR HD1 1 1 6 2208 1 1 3 TYR HD2 H 8.638 -0.324 2.866 1.00 . A A . 60 TYR HD2 1 1 6 2209 1 1 3 TYR HE1 H 5.452 1.328 6.230 1.00 . A A . 60 TYR HE1 1 1 6 2210 1 1 3 TYR HE2 H 9.457 0.948 4.806 1.00 . A A . 60 TYR HE2 1 1 6 2211 1 1 3 TYR HH H 8.717 2.469 6.453 1.00 . A A . 60 TYR HH 1 1 6 2212 1 1 3 TYR N N 7.043 -3.175 2.785 1.00 . A A . 60 TYR N 1 1 6 2213 1 1 3 TYR O O 5.164 -2.729 0.252 1.00 . A A . 60 TYR O 1 1 6 2214 1 1 3 TYR OH O 7.958 1.932 6.721 1.00 . A A . 60 TYR OH 1 1 6 2215 1 1 4 VAL C C 1.846 -4.597 1.323 1.00 . A A . 61 VAL C 1 1 6 2216 1 1 4 VAL CA C 3.274 -4.658 0.813 1.00 . A A . 61 VAL CA 1 1 6 2217 1 1 4 VAL CB C 3.656 -6.134 0.569 1.00 . A A . 61 VAL CB 1 1 6 2218 1 1 4 VAL CG1 C 2.808 -6.729 -0.540 1.00 . A A . 61 VAL CG1 1 1 6 2219 1 1 4 VAL CG2 C 5.125 -6.257 0.227 1.00 . A A . 61 VAL CG2 1 1 6 2220 1 1 4 VAL H H 4.123 -4.326 2.701 1.00 . A A . 61 VAL H 1 1 6 2221 1 1 4 VAL HA H 3.344 -4.122 -0.121 1.00 . A A . 61 VAL HA 1 1 6 2222 1 1 4 VAL HB H 3.469 -6.689 1.476 1.00 . A A . 61 VAL HB 1 1 6 2223 1 1 4 VAL HG11 H 3.004 -6.198 -1.464 1.00 . A A . 61 VAL HG11 1 1 6 2224 1 1 4 VAL HG12 H 1.765 -6.633 -0.280 1.00 . A A . 61 VAL HG12 1 1 6 2225 1 1 4 VAL HG13 H 3.055 -7.771 -0.663 1.00 . A A . 61 VAL HG13 1 1 6 2226 1 1 4 VAL HG21 H 5.717 -5.843 1.028 1.00 . A A . 61 VAL HG21 1 1 6 2227 1 1 4 VAL HG22 H 5.321 -5.712 -0.684 1.00 . A A . 61 VAL HG22 1 1 6 2228 1 1 4 VAL HG23 H 5.377 -7.297 0.089 1.00 . A A . 61 VAL HG23 1 1 6 2229 1 1 4 VAL N N 4.157 -4.031 1.771 1.00 . A A . 61 VAL N 1 1 6 2230 1 1 4 VAL O O 1.601 -4.726 2.524 1.00 . A A . 61 VAL O 1 1 6 2231 1 1 5 CYS C C -0.890 -5.865 0.979 1.00 . A A . 62 CYS C 1 1 6 2232 1 1 5 CYS CA C -0.490 -4.421 0.769 1.00 . A A . 62 CYS CA 1 1 6 2233 1 1 5 CYS CB C -1.350 -3.813 -0.343 1.00 . A A . 62 CYS CB 1 1 6 2234 1 1 5 CYS H H 1.182 -4.199 -0.510 1.00 . A A . 62 CYS H 1 1 6 2235 1 1 5 CYS HA H -0.636 -3.869 1.685 1.00 . A A . 62 CYS HA 1 1 6 2236 1 1 5 CYS HB2 H -1.034 -2.809 -0.522 1.00 . A A . 62 CYS HB2 1 1 6 2237 1 1 5 CYS HB3 H -1.211 -4.392 -1.243 1.00 . A A . 62 CYS HB3 1 1 6 2238 1 1 5 CYS N N 0.914 -4.377 0.420 1.00 . A A . 62 CYS N 1 1 6 2239 1 1 5 CYS O O -1.271 -6.538 0.032 1.00 . A A . 62 CYS O 1 1 6 2240 1 1 5 CYS SG S -3.121 -3.747 -0.003 1.00 . A A . 62 CYS SG 1 1 6 2241 1 1 6 GLU C C -2.670 -7.897 2.157 1.00 . A A . 63 GLU C 1 1 6 2242 1 1 6 GLU CA C -1.204 -7.708 2.520 1.00 . A A . 63 GLU CA 1 1 6 2243 1 1 6 GLU CB C -0.983 -8.001 4.004 1.00 . A A . 63 GLU CB 1 1 6 2244 1 1 6 GLU CD C 1.298 -9.075 3.851 1.00 . A A . 63 GLU CD 1 1 6 2245 1 1 6 GLU CG C 0.475 -7.938 4.425 1.00 . A A . 63 GLU CG 1 1 6 2246 1 1 6 GLU H H -0.446 -5.772 2.921 1.00 . A A . 63 GLU H 1 1 6 2247 1 1 6 GLU HA H -0.604 -8.383 1.929 1.00 . A A . 63 GLU HA 1 1 6 2248 1 1 6 GLU HB2 H -1.534 -7.280 4.588 1.00 . A A . 63 GLU HB2 1 1 6 2249 1 1 6 GLU HB3 H -1.355 -8.992 4.222 1.00 . A A . 63 GLU HB3 1 1 6 2250 1 1 6 GLU HG2 H 0.895 -7.002 4.086 1.00 . A A . 63 GLU HG2 1 1 6 2251 1 1 6 GLU HG3 H 0.527 -7.983 5.504 1.00 . A A . 63 GLU HG3 1 1 6 2252 1 1 6 GLU N N -0.797 -6.345 2.207 1.00 . A A . 63 GLU N 1 1 6 2253 1 1 6 GLU O O -3.139 -9.015 1.945 1.00 . A A . 63 GLU O 1 1 6 2254 1 1 6 GLU OE1 O 1.847 -8.927 2.738 1.00 . A A . 63 GLU OE1 1 1 6 2255 1 1 6 GLU OE2 O 1.411 -10.121 4.524 1.00 . A A . 63 GLU OE2 1 1 6 2256 1 1 7 ARG C C -5.042 -7.199 0.274 1.00 . A A . 64 ARG C 1 1 6 2257 1 1 7 ARG CA C -4.780 -6.767 1.726 1.00 . A A . 64 ARG CA 1 1 6 2258 1 1 7 ARG CB C -5.368 -5.386 2.010 1.00 . A A . 64 ARG CB 1 1 6 2259 1 1 7 ARG CD C -5.890 -3.651 3.765 1.00 . A A . 64 ARG CD 1 1 6 2260 1 1 7 ARG CG C -5.149 -4.939 3.446 1.00 . A A . 64 ARG CG 1 1 6 2261 1 1 7 ARG CZ C -8.247 -3.055 4.252 1.00 . A A . 64 ARG CZ 1 1 6 2262 1 1 7 ARG H H -2.934 -5.924 2.264 1.00 . A A . 64 ARG H 1 1 6 2263 1 1 7 ARG HA H -5.266 -7.477 2.377 1.00 . A A . 64 ARG HA 1 1 6 2264 1 1 7 ARG HB2 H -4.909 -4.664 1.353 1.00 . A A . 64 ARG HB2 1 1 6 2265 1 1 7 ARG HB3 H -6.428 -5.411 1.821 1.00 . A A . 64 ARG HB3 1 1 6 2266 1 1 7 ARG HD2 H -5.668 -3.371 4.785 1.00 . A A . 64 ARG HD2 1 1 6 2267 1 1 7 ARG HD3 H -5.544 -2.876 3.093 1.00 . A A . 64 ARG HD3 1 1 6 2268 1 1 7 ARG HE H -7.654 -4.496 2.991 1.00 . A A . 64 ARG HE 1 1 6 2269 1 1 7 ARG HG2 H -5.496 -5.716 4.107 1.00 . A A . 64 ARG HG2 1 1 6 2270 1 1 7 ARG HG3 H -4.092 -4.782 3.603 1.00 . A A . 64 ARG HG3 1 1 6 2271 1 1 7 ARG HH11 H -6.889 -1.986 5.320 1.00 . A A . 64 ARG HH11 1 1 6 2272 1 1 7 ARG HH12 H -8.550 -1.562 5.605 1.00 . A A . 64 ARG HH12 1 1 6 2273 1 1 7 ARG HH21 H -9.829 -3.948 3.351 1.00 . A A . 64 ARG HH21 1 1 6 2274 1 1 7 ARG HH22 H -10.237 -2.686 4.476 1.00 . A A . 64 ARG HH22 1 1 6 2275 1 1 7 ARG N N -3.377 -6.776 2.067 1.00 . A A . 64 ARG N 1 1 6 2276 1 1 7 ARG NE N -7.338 -3.802 3.616 1.00 . A A . 64 ARG NE 1 1 6 2277 1 1 7 ARG NH1 N -7.864 -2.129 5.128 1.00 . A A . 64 ARG NH1 1 1 6 2278 1 1 7 ARG NH2 N -9.539 -3.246 4.009 1.00 . A A . 64 ARG NH2 1 1 6 2279 1 1 7 ARG O O -6.003 -7.926 0.028 1.00 . A A . 64 ARG O 1 1 6 2280 1 1 8 CYS C C -3.214 -7.740 -2.784 1.00 . A A . 65 CYS C 1 1 6 2281 1 1 8 CYS CA C -4.476 -7.239 -2.079 1.00 . A A . 65 CYS CA 1 1 6 2282 1 1 8 CYS CB C -5.151 -6.154 -2.918 1.00 . A A . 65 CYS CB 1 1 6 2283 1 1 8 CYS H H -3.467 -6.152 -0.512 1.00 . A A . 65 CYS H 1 1 6 2284 1 1 8 CYS HA H -5.158 -8.072 -2.003 1.00 . A A . 65 CYS HA 1 1 6 2285 1 1 8 CYS HB2 H -5.551 -6.604 -3.817 1.00 . A A . 65 CYS HB2 1 1 6 2286 1 1 8 CYS HB3 H -5.962 -5.721 -2.345 1.00 . A A . 65 CYS HB3 1 1 6 2287 1 1 8 CYS N N -4.224 -6.773 -0.706 1.00 . A A . 65 CYS N 1 1 6 2288 1 1 8 CYS O O -3.282 -8.244 -3.905 1.00 . A A . 65 CYS O 1 1 6 2289 1 1 8 CYS SG S -4.064 -4.811 -3.421 1.00 . A A . 65 CYS SG 1 1 6 2290 1 1 9 GLY C C 0.071 -7.038 -3.260 1.00 . A A . 66 GLY C 1 1 6 2291 1 1 9 GLY CA C -0.832 -8.115 -2.684 1.00 . A A . 66 GLY CA 1 1 6 2292 1 1 9 GLY H H -2.066 -7.167 -1.251 1.00 . A A . 66 GLY H 1 1 6 2293 1 1 9 GLY HA2 H -0.292 -8.630 -1.899 1.00 . A A . 66 GLY HA2 1 1 6 2294 1 1 9 GLY HA3 H -1.066 -8.824 -3.468 1.00 . A A . 66 GLY HA3 1 1 6 2295 1 1 9 GLY N N -2.072 -7.603 -2.132 1.00 . A A . 66 GLY N 1 1 6 2296 1 1 9 GLY O O 1.277 -7.238 -3.361 1.00 . A A . 66 GLY O 1 1 6 2297 1 1 10 LYS C C 1.262 -4.189 -3.303 1.00 . A A . 67 LYS C 1 1 6 2298 1 1 10 LYS CA C 0.287 -4.839 -4.282 1.00 . A A . 67 LYS CA 1 1 6 2299 1 1 10 LYS CB C -0.641 -3.787 -4.879 1.00 . A A . 67 LYS CB 1 1 6 2300 1 1 10 LYS CD C -2.499 -3.330 -6.492 1.00 . A A . 67 LYS CD 1 1 6 2301 1 1 10 LYS CE C -3.045 -3.626 -7.879 1.00 . A A . 67 LYS CE 1 1 6 2302 1 1 10 LYS CG C -1.357 -4.255 -6.132 1.00 . A A . 67 LYS CG 1 1 6 2303 1 1 10 LYS H H -1.462 -5.765 -3.496 1.00 . A A . 67 LYS H 1 1 6 2304 1 1 10 LYS HA H 0.859 -5.290 -5.079 1.00 . A A . 67 LYS HA 1 1 6 2305 1 1 10 LYS HB2 H -1.386 -3.521 -4.143 1.00 . A A . 67 LYS HB2 1 1 6 2306 1 1 10 LYS HB3 H -0.062 -2.910 -5.126 1.00 . A A . 67 LYS HB3 1 1 6 2307 1 1 10 LYS HD2 H -3.289 -3.469 -5.769 1.00 . A A . 67 LYS HD2 1 1 6 2308 1 1 10 LYS HD3 H -2.150 -2.310 -6.458 1.00 . A A . 67 LYS HD3 1 1 6 2309 1 1 10 LYS HE2 H -3.808 -2.901 -8.112 1.00 . A A . 67 LYS HE2 1 1 6 2310 1 1 10 LYS HE3 H -2.239 -3.541 -8.593 1.00 . A A . 67 LYS HE3 1 1 6 2311 1 1 10 LYS HG2 H -0.656 -4.275 -6.954 1.00 . A A . 67 LYS HG2 1 1 6 2312 1 1 10 LYS HG3 H -1.747 -5.248 -5.966 1.00 . A A . 67 LYS HG3 1 1 6 2313 1 1 10 LYS HZ1 H -4.470 -5.069 -7.360 1.00 . A A . 67 LYS HZ1 1 1 6 2314 1 1 10 LYS HZ2 H -2.929 -5.705 -7.675 1.00 . A A . 67 LYS HZ2 1 1 6 2315 1 1 10 LYS HZ3 H -3.911 -5.192 -8.957 1.00 . A A . 67 LYS HZ3 1 1 6 2316 1 1 10 LYS N N -0.498 -5.898 -3.643 1.00 . A A . 67 LYS N 1 1 6 2317 1 1 10 LYS NZ N -3.630 -4.991 -7.973 1.00 . A A . 67 LYS NZ 1 1 6 2318 1 1 10 LYS O O 0.860 -3.633 -2.285 1.00 . A A . 67 LYS O 1 1 6 2319 1 1 11 ARG C C 4.025 -2.337 -3.231 1.00 . A A . 68 ARG C 1 1 6 2320 1 1 11 ARG CA C 3.583 -3.720 -2.764 1.00 . A A . 68 ARG CA 1 1 6 2321 1 1 11 ARG CB C 4.775 -4.665 -2.730 1.00 . A A . 68 ARG CB 1 1 6 2322 1 1 11 ARG CD C 6.543 -5.881 -4.026 1.00 . A A . 68 ARG CD 1 1 6 2323 1 1 11 ARG CG C 5.336 -4.960 -4.092 1.00 . A A . 68 ARG CG 1 1 6 2324 1 1 11 ARG CZ C 7.069 -8.192 -3.323 1.00 . A A . 68 ARG CZ 1 1 6 2325 1 1 11 ARG H H 2.807 -4.715 -4.458 1.00 . A A . 68 ARG H 1 1 6 2326 1 1 11 ARG HA H 3.182 -3.635 -1.772 1.00 . A A . 68 ARG HA 1 1 6 2327 1 1 11 ARG HB2 H 5.550 -4.219 -2.139 1.00 . A A . 68 ARG HB2 1 1 6 2328 1 1 11 ARG HB3 H 4.470 -5.599 -2.277 1.00 . A A . 68 ARG HB3 1 1 6 2329 1 1 11 ARG HD2 H 6.948 -5.996 -5.018 1.00 . A A . 68 ARG HD2 1 1 6 2330 1 1 11 ARG HD3 H 7.286 -5.432 -3.382 1.00 . A A . 68 ARG HD3 1 1 6 2331 1 1 11 ARG HE H 5.249 -7.356 -3.264 1.00 . A A . 68 ARG HE 1 1 6 2332 1 1 11 ARG HG2 H 4.565 -5.437 -4.678 1.00 . A A . 68 ARG HG2 1 1 6 2333 1 1 11 ARG HG3 H 5.621 -4.026 -4.546 1.00 . A A . 68 ARG HG3 1 1 6 2334 1 1 11 ARG HH11 H 8.655 -7.148 -4.048 1.00 . A A . 68 ARG HH11 1 1 6 2335 1 1 11 ARG HH12 H 8.998 -8.782 -3.554 1.00 . A A . 68 ARG HH12 1 1 6 2336 1 1 11 ARG HH21 H 5.697 -9.479 -2.560 1.00 . A A . 68 ARG HH21 1 1 6 2337 1 1 11 ARG HH22 H 7.317 -10.102 -2.670 1.00 . A A . 68 ARG HH22 1 1 6 2338 1 1 11 ARG N N 2.544 -4.267 -3.621 1.00 . A A . 68 ARG N 1 1 6 2339 1 1 11 ARG NE N 6.194 -7.200 -3.498 1.00 . A A . 68 ARG NE 1 1 6 2340 1 1 11 ARG NH1 N 8.341 -8.027 -3.663 1.00 . A A . 68 ARG NH1 1 1 6 2341 1 1 11 ARG NH2 N 6.662 -9.349 -2.813 1.00 . A A . 68 ARG NH2 1 1 6 2342 1 1 11 ARG O O 3.795 -1.950 -4.380 1.00 . A A . 68 ARG O 1 1 6 2343 1 1 12 PHE C C 6.385 0.017 -1.804 1.00 . A A . 69 PHE C 1 1 6 2344 1 1 12 PHE CA C 5.113 -0.247 -2.575 1.00 . A A . 69 PHE CA 1 1 6 2345 1 1 12 PHE CB C 4.035 0.760 -2.172 1.00 . A A . 69 PHE CB 1 1 6 2346 1 1 12 PHE CD1 C 2.873 1.545 -4.254 1.00 . A A . 69 PHE CD1 1 1 6 2347 1 1 12 PHE CD2 C 1.727 0.033 -2.811 1.00 . A A . 69 PHE CD2 1 1 6 2348 1 1 12 PHE CE1 C 1.780 1.571 -5.097 1.00 . A A . 69 PHE CE1 1 1 6 2349 1 1 12 PHE CE2 C 0.632 0.051 -3.653 1.00 . A A . 69 PHE CE2 1 1 6 2350 1 1 12 PHE CG C 2.859 0.775 -3.103 1.00 . A A . 69 PHE CG 1 1 6 2351 1 1 12 PHE CZ C 0.706 0.779 -4.859 1.00 . A A . 69 PHE CZ 1 1 6 2352 1 1 12 PHE H H 4.890 -2.014 -1.463 1.00 . A A . 69 PHE H 1 1 6 2353 1 1 12 PHE HA H 5.324 -0.135 -3.625 1.00 . A A . 69 PHE HA 1 1 6 2354 1 1 12 PHE HB2 H 3.676 0.518 -1.181 1.00 . A A . 69 PHE HB2 1 1 6 2355 1 1 12 PHE HB3 H 4.466 1.754 -2.165 1.00 . A A . 69 PHE HB3 1 1 6 2356 1 1 12 PHE HD1 H 3.751 2.128 -4.492 1.00 . A A . 69 PHE HD1 1 1 6 2357 1 1 12 PHE HD2 H 1.709 -0.573 -1.918 1.00 . A A . 69 PHE HD2 1 1 6 2358 1 1 12 PHE HE1 H 1.803 2.177 -5.991 1.00 . A A . 69 PHE HE1 1 1 6 2359 1 1 12 PHE HE2 H -0.243 -0.535 -3.414 1.00 . A A . 69 PHE HE2 1 1 6 2360 1 1 12 PHE HZ H -0.131 0.779 -5.542 1.00 . A A . 69 PHE HZ 1 1 6 2361 1 1 12 PHE N N 4.673 -1.610 -2.329 1.00 . A A . 69 PHE N 1 1 6 2362 1 1 12 PHE O O 6.557 -0.437 -0.679 1.00 . A A . 69 PHE O 1 1 6 2363 1 1 13 VAL C C 8.422 2.178 -0.860 1.00 . A A . 70 VAL C 1 1 6 2364 1 1 13 VAL CA C 8.555 1.055 -1.880 1.00 . A A . 70 VAL CA 1 1 6 2365 1 1 13 VAL CB C 9.508 1.471 -3.012 1.00 . A A . 70 VAL CB 1 1 6 2366 1 1 13 VAL CG1 C 10.813 1.970 -2.457 1.00 . A A . 70 VAL CG1 1 1 6 2367 1 1 13 VAL CG2 C 9.739 0.313 -3.967 1.00 . A A . 70 VAL CG2 1 1 6 2368 1 1 13 VAL H H 7.065 1.086 -3.318 1.00 . A A . 70 VAL H 1 1 6 2369 1 1 13 VAL HA H 8.950 0.174 -1.398 1.00 . A A . 70 VAL HA 1 1 6 2370 1 1 13 VAL HB H 9.048 2.277 -3.566 1.00 . A A . 70 VAL HB 1 1 6 2371 1 1 13 VAL HG11 H 11.297 1.174 -1.916 1.00 . A A . 70 VAL HG11 1 1 6 2372 1 1 13 VAL HG12 H 10.613 2.792 -1.791 1.00 . A A . 70 VAL HG12 1 1 6 2373 1 1 13 VAL HG13 H 11.443 2.299 -3.266 1.00 . A A . 70 VAL HG13 1 1 6 2374 1 1 13 VAL HG21 H 10.413 0.622 -4.752 1.00 . A A . 70 VAL HG21 1 1 6 2375 1 1 13 VAL HG22 H 8.796 0.012 -4.399 1.00 . A A . 70 VAL HG22 1 1 6 2376 1 1 13 VAL HG23 H 10.170 -0.518 -3.427 1.00 . A A . 70 VAL HG23 1 1 6 2377 1 1 13 VAL N N 7.277 0.738 -2.438 1.00 . A A . 70 VAL N 1 1 6 2378 1 1 13 VAL O O 9.161 2.236 0.122 1.00 . A A . 70 VAL O 1 1 6 2379 1 1 14 GLN C C 6.142 3.878 0.750 1.00 . A A . 71 GLN C 1 1 6 2380 1 1 14 GLN CA C 7.248 4.188 -0.245 1.00 . A A . 71 GLN CA 1 1 6 2381 1 1 14 GLN CB C 6.846 5.356 -1.124 1.00 . A A . 71 GLN CB 1 1 6 2382 1 1 14 GLN CD C 7.451 6.826 -3.086 1.00 . A A . 71 GLN CD 1 1 6 2383 1 1 14 GLN CG C 7.778 5.570 -2.304 1.00 . A A . 71 GLN CG 1 1 6 2384 1 1 14 GLN H H 6.885 2.967 -1.877 1.00 . A A . 71 GLN H 1 1 6 2385 1 1 14 GLN HA H 8.162 4.422 0.280 1.00 . A A . 71 GLN HA 1 1 6 2386 1 1 14 GLN HB2 H 5.850 5.180 -1.508 1.00 . A A . 71 GLN HB2 1 1 6 2387 1 1 14 GLN HB3 H 6.844 6.239 -0.533 1.00 . A A . 71 GLN HB3 1 1 6 2388 1 1 14 GLN HE21 H 8.684 7.878 -1.936 1.00 . A A . 71 GLN HE21 1 1 6 2389 1 1 14 GLN HE22 H 7.867 8.772 -3.183 1.00 . A A . 71 GLN HE22 1 1 6 2390 1 1 14 GLN HG2 H 8.789 5.639 -1.938 1.00 . A A . 71 GLN HG2 1 1 6 2391 1 1 14 GLN HG3 H 7.696 4.721 -2.968 1.00 . A A . 71 GLN HG3 1 1 6 2392 1 1 14 GLN N N 7.466 3.064 -1.097 1.00 . A A . 71 GLN N 1 1 6 2393 1 1 14 GLN NE2 N 8.062 7.933 -2.697 1.00 . A A . 71 GLN NE2 1 1 6 2394 1 1 14 GLN O O 5.060 3.432 0.362 1.00 . A A . 71 GLN O 1 1 6 2395 1 1 14 GLN OE1 O 6.658 6.799 -4.029 1.00 . A A . 71 GLN OE1 1 1 6 2396 1 1 15 SER C C 4.221 4.810 2.796 1.00 . A A . 72 SER C 1 1 6 2397 1 1 15 SER CA C 5.427 3.927 3.077 1.00 . A A . 72 SER CA 1 1 6 2398 1 1 15 SER CB C 6.024 4.258 4.453 1.00 . A A . 72 SER CB 1 1 6 2399 1 1 15 SER H H 7.319 4.431 2.273 1.00 . A A . 72 SER H 1 1 6 2400 1 1 15 SER HA H 5.116 2.891 3.063 1.00 . A A . 72 SER HA 1 1 6 2401 1 1 15 SER HB2 H 6.915 3.668 4.607 1.00 . A A . 72 SER HB2 1 1 6 2402 1 1 15 SER HB3 H 6.277 5.306 4.489 1.00 . A A . 72 SER HB3 1 1 6 2403 1 1 15 SER HG H 5.595 3.818 6.323 1.00 . A A . 72 SER HG 1 1 6 2404 1 1 15 SER N N 6.418 4.119 2.029 1.00 . A A . 72 SER N 1 1 6 2405 1 1 15 SER O O 3.075 4.385 2.946 1.00 . A A . 72 SER O 1 1 6 2406 1 1 15 SER OG O 5.107 3.973 5.499 1.00 . A A . 72 SER OG 1 1 6 2407 1 1 16 SER C C 2.590 6.379 0.855 1.00 . A A . 73 SER C 1 1 6 2408 1 1 16 SER CA C 3.453 6.968 1.968 1.00 . A A . 73 SER CA 1 1 6 2409 1 1 16 SER CB C 4.088 8.291 1.520 1.00 . A A . 73 SER CB 1 1 6 2410 1 1 16 SER H H 5.434 6.308 2.272 1.00 . A A . 73 SER H 1 1 6 2411 1 1 16 SER HA H 2.833 7.149 2.835 1.00 . A A . 73 SER HA 1 1 6 2412 1 1 16 SER HB2 H 4.558 8.764 2.368 1.00 . A A . 73 SER HB2 1 1 6 2413 1 1 16 SER HB3 H 4.834 8.090 0.765 1.00 . A A . 73 SER HB3 1 1 6 2414 1 1 16 SER HG H 3.444 9.505 0.121 1.00 . A A . 73 SER HG 1 1 6 2415 1 1 16 SER N N 4.496 6.032 2.347 1.00 . A A . 73 SER N 1 1 6 2416 1 1 16 SER O O 1.367 6.374 0.949 1.00 . A A . 73 SER O 1 1 6 2417 1 1 16 SER OG O 3.128 9.184 0.982 1.00 . A A . 73 SER OG 1 1 6 2418 1 1 17 GLN C C 1.718 4.120 -0.974 1.00 . A A . 74 GLN C 1 1 6 2419 1 1 17 GLN CA C 2.543 5.337 -1.342 1.00 . A A . 74 GLN CA 1 1 6 2420 1 1 17 GLN CB C 3.551 4.980 -2.438 1.00 . A A . 74 GLN CB 1 1 6 2421 1 1 17 GLN CD C 2.404 6.276 -4.270 1.00 . A A . 74 GLN CD 1 1 6 2422 1 1 17 GLN CG C 2.949 4.934 -3.830 1.00 . A A . 74 GLN CG 1 1 6 2423 1 1 17 GLN H H 4.196 5.678 -0.093 1.00 . A A . 74 GLN H 1 1 6 2424 1 1 17 GLN HA H 1.888 6.121 -1.695 1.00 . A A . 74 GLN HA 1 1 6 2425 1 1 17 GLN HB2 H 4.345 5.716 -2.437 1.00 . A A . 74 GLN HB2 1 1 6 2426 1 1 17 GLN HB3 H 3.970 4.006 -2.219 1.00 . A A . 74 GLN HB3 1 1 6 2427 1 1 17 GLN HE21 H 4.168 6.767 -5.032 1.00 . A A . 74 GLN HE21 1 1 6 2428 1 1 17 GLN HE22 H 2.927 7.962 -5.188 1.00 . A A . 74 GLN HE22 1 1 6 2429 1 1 17 GLN HG2 H 3.712 4.625 -4.530 1.00 . A A . 74 GLN HG2 1 1 6 2430 1 1 17 GLN HG3 H 2.143 4.214 -3.835 1.00 . A A . 74 GLN HG3 1 1 6 2431 1 1 17 GLN N N 3.237 5.816 -0.161 1.00 . A A . 74 GLN N 1 1 6 2432 1 1 17 GLN NE2 N 3.251 7.080 -4.892 1.00 . A A . 74 GLN NE2 1 1 6 2433 1 1 17 GLN O O 0.593 3.944 -1.440 1.00 . A A . 74 GLN O 1 1 6 2434 1 1 17 GLN OE1 O 1.235 6.586 -4.047 1.00 . A A . 74 GLN OE1 1 1 6 2435 1 1 18 LEU C C 0.378 2.524 1.169 1.00 . A A . 75 LEU C 1 1 6 2436 1 1 18 LEU CA C 1.598 2.120 0.379 1.00 . A A . 75 LEU CA 1 1 6 2437 1 1 18 LEU CB C 2.516 1.291 1.278 1.00 . A A . 75 LEU CB 1 1 6 2438 1 1 18 LEU CD1 C 1.381 -0.858 0.908 1.00 . A A . 75 LEU CD1 1 1 6 2439 1 1 18 LEU CD2 C 2.683 -0.532 3.003 1.00 . A A . 75 LEU CD2 1 1 6 2440 1 1 18 LEU CG C 1.808 0.129 1.957 1.00 . A A . 75 LEU CG 1 1 6 2441 1 1 18 LEU H H 3.208 3.469 0.188 1.00 . A A . 75 LEU H 1 1 6 2442 1 1 18 LEU HA H 1.281 1.532 -0.467 1.00 . A A . 75 LEU HA 1 1 6 2443 1 1 18 LEU HB2 H 3.327 0.897 0.674 1.00 . A A . 75 LEU HB2 1 1 6 2444 1 1 18 LEU HB3 H 2.927 1.937 2.044 1.00 . A A . 75 LEU HB3 1 1 6 2445 1 1 18 LEU HD11 H 0.768 -0.345 0.182 1.00 . A A . 75 LEU HD11 1 1 6 2446 1 1 18 LEU HD12 H 0.818 -1.651 1.370 1.00 . A A . 75 LEU HD12 1 1 6 2447 1 1 18 LEU HD13 H 2.253 -1.264 0.427 1.00 . A A . 75 LEU HD13 1 1 6 2448 1 1 18 LEU HD21 H 3.592 -0.882 2.541 1.00 . A A . 75 LEU HD21 1 1 6 2449 1 1 18 LEU HD22 H 2.155 -1.370 3.436 1.00 . A A . 75 LEU HD22 1 1 6 2450 1 1 18 LEU HD23 H 2.921 0.182 3.777 1.00 . A A . 75 LEU HD23 1 1 6 2451 1 1 18 LEU HG H 0.919 0.500 2.447 1.00 . A A . 75 LEU HG 1 1 6 2452 1 1 18 LEU N N 2.289 3.290 -0.116 1.00 . A A . 75 LEU N 1 1 6 2453 1 1 18 LEU O O -0.736 2.096 0.880 1.00 . A A . 75 LEU O 1 1 6 2454 1 1 19 ALA C C -1.480 4.555 2.152 1.00 . A A . 76 ALA C 1 1 6 2455 1 1 19 ALA CA C -0.448 3.853 3.013 1.00 . A A . 76 ALA CA 1 1 6 2456 1 1 19 ALA CB C 0.104 4.793 4.074 1.00 . A A . 76 ALA CB 1 1 6 2457 1 1 19 ALA H H 1.549 3.526 2.404 1.00 . A A . 76 ALA H 1 1 6 2458 1 1 19 ALA HA H -0.928 3.020 3.509 1.00 . A A . 76 ALA HA 1 1 6 2459 1 1 19 ALA HB1 H -0.704 5.150 4.694 1.00 . A A . 76 ALA HB1 1 1 6 2460 1 1 19 ALA HB2 H 0.593 5.632 3.597 1.00 . A A . 76 ALA HB2 1 1 6 2461 1 1 19 ALA HB3 H 0.819 4.264 4.686 1.00 . A A . 76 ALA HB3 1 1 6 2462 1 1 19 ALA N N 0.619 3.321 2.186 1.00 . A A . 76 ALA N 1 1 6 2463 1 1 19 ALA O O -2.672 4.413 2.388 1.00 . A A . 76 ALA O 1 1 6 2464 1 1 20 ASN C C -2.857 4.834 -0.407 1.00 . A A . 77 ASN C 1 1 6 2465 1 1 20 ASN CA C -1.948 5.902 0.187 1.00 . A A . 77 ASN CA 1 1 6 2466 1 1 20 ASN CB C -1.180 6.619 -0.930 1.00 . A A . 77 ASN CB 1 1 6 2467 1 1 20 ASN CG C -2.096 7.211 -1.990 1.00 . A A . 77 ASN CG 1 1 6 2468 1 1 20 ASN H H -0.042 5.421 1.028 1.00 . A A . 77 ASN H 1 1 6 2469 1 1 20 ASN HA H -2.551 6.619 0.725 1.00 . A A . 77 ASN HA 1 1 6 2470 1 1 20 ASN HB2 H -0.599 7.421 -0.499 1.00 . A A . 77 ASN HB2 1 1 6 2471 1 1 20 ASN HB3 H -0.512 5.916 -1.408 1.00 . A A . 77 ASN HB3 1 1 6 2472 1 1 20 ASN HD21 H -2.124 8.952 -1.024 1.00 . A A . 77 ASN HD21 1 1 6 2473 1 1 20 ASN HD22 H -3.060 8.874 -2.491 1.00 . A A . 77 ASN HD22 1 1 6 2474 1 1 20 ASN N N -1.025 5.286 1.137 1.00 . A A . 77 ASN N 1 1 6 2475 1 1 20 ASN ND2 N -2.463 8.471 -1.820 1.00 . A A . 77 ASN ND2 1 1 6 2476 1 1 20 ASN O O -4.088 4.940 -0.362 1.00 . A A . 77 ASN O 1 1 6 2477 1 1 20 ASN OD1 O -2.456 6.548 -2.963 1.00 . A A . 77 ASN OD1 1 1 6 2478 1 1 21 HIS C C -3.923 2.017 -0.589 1.00 . A A . 78 HIS C 1 1 6 2479 1 1 21 HIS CA C -2.948 2.694 -1.553 1.00 . A A . 78 HIS CA 1 1 6 2480 1 1 21 HIS CB C -1.924 1.686 -2.089 1.00 . A A . 78 HIS CB 1 1 6 2481 1 1 21 HIS CD2 C -2.691 -0.764 -2.104 1.00 . A A . 78 HIS CD2 1 1 6 2482 1 1 21 HIS CE1 C -3.395 -0.907 -4.143 1.00 . A A . 78 HIS CE1 1 1 6 2483 1 1 21 HIS CG C -2.514 0.449 -2.670 1.00 . A A . 78 HIS CG 1 1 6 2484 1 1 21 HIS H H -1.254 3.685 -0.768 1.00 . A A . 78 HIS H 1 1 6 2485 1 1 21 HIS HA H -3.498 3.115 -2.382 1.00 . A A . 78 HIS HA 1 1 6 2486 1 1 21 HIS HB2 H -1.337 2.157 -2.861 1.00 . A A . 78 HIS HB2 1 1 6 2487 1 1 21 HIS HB3 H -1.269 1.392 -1.277 1.00 . A A . 78 HIS HB3 1 1 6 2488 1 1 21 HIS HD1 H -2.978 1.059 -4.639 1.00 . A A . 78 HIS HD1 1 1 6 2489 1 1 21 HIS HD2 H -2.435 -1.031 -1.092 1.00 . A A . 78 HIS HD2 1 1 6 2490 1 1 21 HIS HE1 H -3.803 -1.284 -5.069 1.00 . A A . 78 HIS HE1 1 1 6 2491 1 1 21 HIS N N -2.236 3.768 -0.889 1.00 . A A . 78 HIS N 1 1 6 2492 1 1 21 HIS ND1 N -2.965 0.340 -3.962 1.00 . A A . 78 HIS ND1 1 1 6 2493 1 1 21 HIS NE2 N -3.251 -1.626 -3.039 1.00 . A A . 78 HIS NE2 1 1 6 2494 1 1 21 HIS O O -5.094 1.810 -0.905 1.00 . A A . 78 HIS O 1 1 6 2495 1 1 22 ILE C C -5.254 1.804 2.255 1.00 . A A . 79 ILE C 1 1 6 2496 1 1 22 ILE CA C -4.197 0.949 1.563 1.00 . A A . 79 ILE CA 1 1 6 2497 1 1 22 ILE CB C -3.254 0.304 2.588 1.00 . A A . 79 ILE CB 1 1 6 2498 1 1 22 ILE CD1 C -1.397 -1.414 2.773 1.00 . A A . 79 ILE CD1 1 1 6 2499 1 1 22 ILE CG1 C -2.337 -0.677 1.861 1.00 . A A . 79 ILE CG1 1 1 6 2500 1 1 22 ILE CG2 C -4.032 -0.403 3.684 1.00 . A A . 79 ILE CG2 1 1 6 2501 1 1 22 ILE H H -2.519 1.982 0.826 1.00 . A A . 79 ILE H 1 1 6 2502 1 1 22 ILE HA H -4.692 0.147 1.034 1.00 . A A . 79 ILE HA 1 1 6 2503 1 1 22 ILE HB H -2.657 1.080 3.040 1.00 . A A . 79 ILE HB 1 1 6 2504 1 1 22 ILE HD11 H -1.967 -1.935 3.526 1.00 . A A . 79 ILE HD11 1 1 6 2505 1 1 22 ILE HD12 H -0.728 -0.707 3.244 1.00 . A A . 79 ILE HD12 1 1 6 2506 1 1 22 ILE HD13 H -0.825 -2.127 2.194 1.00 . A A . 79 ILE HD13 1 1 6 2507 1 1 22 ILE HG12 H -2.942 -1.411 1.345 1.00 . A A . 79 ILE HG12 1 1 6 2508 1 1 22 ILE HG13 H -1.742 -0.132 1.138 1.00 . A A . 79 ILE HG13 1 1 6 2509 1 1 22 ILE HG21 H -4.596 -1.218 3.253 1.00 . A A . 79 ILE HG21 1 1 6 2510 1 1 22 ILE HG22 H -4.708 0.298 4.151 1.00 . A A . 79 ILE HG22 1 1 6 2511 1 1 22 ILE HG23 H -3.344 -0.788 4.420 1.00 . A A . 79 ILE HG23 1 1 6 2512 1 1 22 ILE N N -3.434 1.703 0.596 1.00 . A A . 79 ILE N 1 1 6 2513 1 1 22 ILE O O -6.294 1.292 2.663 1.00 . A A . 79 ILE O 1 1 6 2514 1 1 23 ARG C C -7.275 4.025 2.178 1.00 . A A . 80 ARG C 1 1 6 2515 1 1 23 ARG CA C -5.976 3.992 2.984 1.00 . A A . 80 ARG CA 1 1 6 2516 1 1 23 ARG CB C -5.353 5.384 3.133 1.00 . A A . 80 ARG CB 1 1 6 2517 1 1 23 ARG CD C -6.921 7.144 2.236 1.00 . A A . 80 ARG CD 1 1 6 2518 1 1 23 ARG CG C -5.641 6.357 1.996 1.00 . A A . 80 ARG CG 1 1 6 2519 1 1 23 ARG CZ C -8.479 8.281 0.707 1.00 . A A . 80 ARG CZ 1 1 6 2520 1 1 23 ARG H H -4.159 3.483 2.060 1.00 . A A . 80 ARG H 1 1 6 2521 1 1 23 ARG HA H -6.191 3.599 3.968 1.00 . A A . 80 ARG HA 1 1 6 2522 1 1 23 ARG HB2 H -5.705 5.813 4.041 1.00 . A A . 80 ARG HB2 1 1 6 2523 1 1 23 ARG HB3 H -4.281 5.267 3.203 1.00 . A A . 80 ARG HB3 1 1 6 2524 1 1 23 ARG HD2 H -7.736 6.447 2.367 1.00 . A A . 80 ARG HD2 1 1 6 2525 1 1 23 ARG HD3 H -6.803 7.730 3.136 1.00 . A A . 80 ARG HD3 1 1 6 2526 1 1 23 ARG HE H -6.482 8.489 0.677 1.00 . A A . 80 ARG HE 1 1 6 2527 1 1 23 ARG HG2 H -4.818 7.047 1.910 1.00 . A A . 80 ARG HG2 1 1 6 2528 1 1 23 ARG HG3 H -5.740 5.798 1.077 1.00 . A A . 80 ARG HG3 1 1 6 2529 1 1 23 ARG HH11 H -9.351 6.971 1.986 1.00 . A A . 80 ARG HH11 1 1 6 2530 1 1 23 ARG HH12 H -10.452 7.836 0.958 1.00 . A A . 80 ARG HH12 1 1 6 2531 1 1 23 ARG HH21 H -7.914 9.620 -0.707 1.00 . A A . 80 ARG HH21 1 1 6 2532 1 1 23 ARG HH22 H -9.628 9.342 -0.591 1.00 . A A . 80 ARG HH22 1 1 6 2533 1 1 23 ARG N N -5.016 3.108 2.361 1.00 . A A . 80 ARG N 1 1 6 2534 1 1 23 ARG NE N -7.240 8.035 1.124 1.00 . A A . 80 ARG NE 1 1 6 2535 1 1 23 ARG NH1 N -9.507 7.643 1.259 1.00 . A A . 80 ARG NH1 1 1 6 2536 1 1 23 ARG NH2 N -8.689 9.146 -0.274 1.00 . A A . 80 ARG NH2 1 1 6 2537 1 1 23 ARG O O -8.333 4.385 2.695 1.00 . A A . 80 ARG O 1 1 6 2538 1 1 24 HIS C C -9.022 2.201 0.146 1.00 . A A . 81 HIS C 1 1 6 2539 1 1 24 HIS CA C -8.366 3.582 0.057 1.00 . A A . 81 HIS CA 1 1 6 2540 1 1 24 HIS CB C -7.986 3.910 -1.390 1.00 . A A . 81 HIS CB 1 1 6 2541 1 1 24 HIS CD2 C -10.352 4.621 -2.183 1.00 . A A . 81 HIS CD2 1 1 6 2542 1 1 24 HIS CE1 C -10.316 3.684 -4.160 1.00 . A A . 81 HIS CE1 1 1 6 2543 1 1 24 HIS CG C -9.154 4.006 -2.322 1.00 . A A . 81 HIS CG 1 1 6 2544 1 1 24 HIS H H -6.315 3.383 0.546 1.00 . A A . 81 HIS H 1 1 6 2545 1 1 24 HIS HA H -9.068 4.321 0.413 1.00 . A A . 81 HIS HA 1 1 6 2546 1 1 24 HIS HB2 H -7.473 4.858 -1.414 1.00 . A A . 81 HIS HB2 1 1 6 2547 1 1 24 HIS HB3 H -7.326 3.140 -1.764 1.00 . A A . 81 HIS HB3 1 1 6 2548 1 1 24 HIS HD1 H -8.425 2.907 -3.971 1.00 . A A . 81 HIS HD1 1 1 6 2549 1 1 24 HIS HD2 H -10.687 5.181 -1.323 1.00 . A A . 81 HIS HD2 1 1 6 2550 1 1 24 HIS HE1 H -10.601 3.358 -5.151 1.00 . A A . 81 HIS HE1 1 1 6 2551 1 1 24 HIS HE2 H -12.034 4.520 -3.429 1.00 . A A . 81 HIS HE2 1 1 6 2552 1 1 24 HIS N N -7.189 3.637 0.911 1.00 . A A . 81 HIS N 1 1 6 2553 1 1 24 HIS ND1 N -9.165 3.428 -3.569 1.00 . A A . 81 HIS ND1 1 1 6 2554 1 1 24 HIS NE2 N -11.059 4.405 -3.341 1.00 . A A . 81 HIS NE2 1 1 6 2555 1 1 24 HIS O O -10.112 1.982 -0.379 1.00 . A A . 81 HIS O 1 1 6 2556 1 1 25 HIS C C -9.941 0.009 2.156 1.00 . A A . 82 HIS C 1 1 6 2557 1 1 25 HIS CA C -8.907 -0.056 1.052 1.00 . A A . 82 HIS CA 1 1 6 2558 1 1 25 HIS CB C -7.812 -1.054 1.440 1.00 . A A . 82 HIS CB 1 1 6 2559 1 1 25 HIS CD2 C -6.347 -1.537 -0.626 1.00 . A A . 82 HIS CD2 1 1 6 2560 1 1 25 HIS CE1 C -6.895 -3.594 -0.976 1.00 . A A . 82 HIS CE1 1 1 6 2561 1 1 25 HIS CG C -7.270 -1.858 0.306 1.00 . A A . 82 HIS CG 1 1 6 2562 1 1 25 HIS H H -7.458 1.489 1.169 1.00 . A A . 82 HIS H 1 1 6 2563 1 1 25 HIS HA H -9.384 -0.379 0.150 1.00 . A A . 82 HIS HA 1 1 6 2564 1 1 25 HIS HB2 H -6.984 -0.515 1.879 1.00 . A A . 82 HIS HB2 1 1 6 2565 1 1 25 HIS HB3 H -8.208 -1.740 2.173 1.00 . A A . 82 HIS HB3 1 1 6 2566 1 1 25 HIS HD1 H -8.277 -3.700 0.578 1.00 . A A . 82 HIS HD1 1 1 6 2567 1 1 25 HIS HD2 H -5.864 -0.576 -0.736 1.00 . A A . 82 HIS HD2 1 1 6 2568 1 1 25 HIS HE1 H -6.960 -4.587 -1.395 1.00 . A A . 82 HIS HE1 1 1 6 2569 1 1 25 HIS N N -8.349 1.272 0.814 1.00 . A A . 82 HIS N 1 1 6 2570 1 1 25 HIS ND1 N -7.613 -3.167 0.068 1.00 . A A . 82 HIS ND1 1 1 6 2571 1 1 25 HIS NE2 N -6.106 -2.645 -1.433 1.00 . A A . 82 HIS NE2 1 1 6 2572 1 1 25 HIS O O -10.935 -0.719 2.152 1.00 . A A . 82 HIS O 1 1 6 2573 1 1 26 ASP C C -11.772 1.900 3.861 1.00 . A A . 83 ASP C 1 1 6 2574 1 1 26 ASP CA C -10.551 1.081 4.239 1.00 . A A . 83 ASP CA 1 1 6 2575 1 1 26 ASP CB C -9.792 1.762 5.382 1.00 . A A . 83 ASP CB 1 1 6 2576 1 1 26 ASP CG C -8.750 0.866 6.020 1.00 . A A . 83 ASP CG 1 1 6 2577 1 1 26 ASP H H -8.906 1.473 2.976 1.00 . A A . 83 ASP H 1 1 6 2578 1 1 26 ASP HA H -10.875 0.105 4.563 1.00 . A A . 83 ASP HA 1 1 6 2579 1 1 26 ASP HB2 H -9.289 2.640 4.997 1.00 . A A . 83 ASP HB2 1 1 6 2580 1 1 26 ASP HB3 H -10.499 2.062 6.145 1.00 . A A . 83 ASP HB3 1 1 6 2581 1 1 26 ASP N N -9.690 0.902 3.083 1.00 . A A . 83 ASP N 1 1 6 2582 1 1 26 ASP O O -11.673 3.144 3.843 1.00 . A A . 83 ASP O 1 1 6 2583 1 1 26 ASP OXT O -12.829 1.302 3.576 1.00 . A A . 83 ASP OXT 1 1 6 2584 1 1 26 ASP OD1 O -9.132 -0.144 6.651 1.00 . A A . 83 ASP OD1 1 1 6 2585 1 1 26 ASP OD2 O -7.543 1.173 5.913 1.00 . A A . 83 ASP OD2 1 1 6 2586 2 2 1 ZN ZN ZN -4.213 -3.076 -1.916 1.00 . B A . 101 ZN ZN 1 1 7 2587 1 1 1 LYS C C 9.607 -4.720 0.574 1.00 . A A . 58 LYS C 1 1 7 2588 1 1 1 LYS CA C 10.775 -4.375 -0.346 1.00 . A A . 58 LYS CA 1 1 7 2589 1 1 1 LYS CB C 10.695 -2.915 -0.804 1.00 . A A . 58 LYS CB 1 1 7 2590 1 1 1 LYS CD C 11.661 -1.096 -2.265 1.00 . A A . 58 LYS CD 1 1 7 2591 1 1 1 LYS CE C 12.112 -0.159 -1.157 1.00 . A A . 58 LYS CE 1 1 7 2592 1 1 1 LYS CG C 11.747 -2.555 -1.843 1.00 . A A . 58 LYS CG 1 1 7 2593 1 1 1 LYS H1 H 11.596 -5.116 -2.113 1.00 . A A . 58 LYS H1 1 1 7 2594 1 1 1 LYS H2 H 9.903 -5.091 -2.094 1.00 . A A . 58 LYS H2 1 1 7 2595 1 1 1 LYS H3 H 10.740 -6.267 -1.212 1.00 . A A . 58 LYS H3 1 1 7 2596 1 1 1 LYS HA H 11.701 -4.533 0.189 1.00 . A A . 58 LYS HA 1 1 7 2597 1 1 1 LYS HB2 H 9.719 -2.735 -1.232 1.00 . A A . 58 LYS HB2 1 1 7 2598 1 1 1 LYS HB3 H 10.827 -2.270 0.054 1.00 . A A . 58 LYS HB3 1 1 7 2599 1 1 1 LYS HD2 H 12.293 -0.944 -3.128 1.00 . A A . 58 LYS HD2 1 1 7 2600 1 1 1 LYS HD3 H 10.638 -0.868 -2.522 1.00 . A A . 58 LYS HD3 1 1 7 2601 1 1 1 LYS HE2 H 12.034 0.859 -1.509 1.00 . A A . 58 LYS HE2 1 1 7 2602 1 1 1 LYS HE3 H 11.461 -0.294 -0.305 1.00 . A A . 58 LYS HE3 1 1 7 2603 1 1 1 LYS HG2 H 12.725 -2.736 -1.424 1.00 . A A . 58 LYS HG2 1 1 7 2604 1 1 1 LYS HG3 H 11.607 -3.180 -2.712 1.00 . A A . 58 LYS HG3 1 1 7 2605 1 1 1 LYS HZ1 H 13.569 -1.302 -0.188 1.00 . A A . 58 LYS HZ1 1 1 7 2606 1 1 1 LYS HZ2 H 13.867 0.365 -0.148 1.00 . A A . 58 LYS HZ2 1 1 7 2607 1 1 1 LYS HZ3 H 14.128 -0.509 -1.578 1.00 . A A . 58 LYS HZ3 1 1 7 2608 1 1 1 LYS N N 10.753 -5.273 -1.521 1.00 . A A . 58 LYS N 1 1 7 2609 1 1 1 LYS NZ N 13.514 -0.417 -0.740 1.00 . A A . 58 LYS NZ 1 1 7 2610 1 1 1 LYS O O 8.531 -5.085 0.107 1.00 . A A . 58 LYS O 1 1 7 2611 1 1 2 PRO C C 7.489 -4.450 2.848 1.00 . A A . 59 PRO C 1 1 7 2612 1 1 2 PRO CA C 8.866 -5.105 2.918 1.00 . A A . 59 PRO CA 1 1 7 2613 1 1 2 PRO CB C 9.541 -4.747 4.247 1.00 . A A . 59 PRO CB 1 1 7 2614 1 1 2 PRO CD C 10.999 -3.998 2.524 1.00 . A A . 59 PRO CD 1 1 7 2615 1 1 2 PRO CG C 10.979 -4.556 3.913 1.00 . A A . 59 PRO CG 1 1 7 2616 1 1 2 PRO HA H 8.749 -6.178 2.857 1.00 . A A . 59 PRO HA 1 1 7 2617 1 1 2 PRO HB2 H 9.105 -3.838 4.640 1.00 . A A . 59 PRO HB2 1 1 7 2618 1 1 2 PRO HB3 H 9.403 -5.555 4.952 1.00 . A A . 59 PRO HB3 1 1 7 2619 1 1 2 PRO HD2 H 10.910 -2.922 2.548 1.00 . A A . 59 PRO HD2 1 1 7 2620 1 1 2 PRO HD3 H 11.902 -4.292 2.009 1.00 . A A . 59 PRO HD3 1 1 7 2621 1 1 2 PRO HG2 H 11.429 -3.858 4.605 1.00 . A A . 59 PRO HG2 1 1 7 2622 1 1 2 PRO HG3 H 11.495 -5.504 3.947 1.00 . A A . 59 PRO HG3 1 1 7 2623 1 1 2 PRO N N 9.816 -4.613 1.901 1.00 . A A . 59 PRO N 1 1 7 2624 1 1 2 PRO O O 6.517 -4.975 3.391 1.00 . A A . 59 PRO O 1 1 7 2625 1 1 3 TYR C C 5.259 -3.126 1.004 1.00 . A A . 60 TYR C 1 1 7 2626 1 1 3 TYR CA C 6.161 -2.575 2.100 1.00 . A A . 60 TYR CA 1 1 7 2627 1 1 3 TYR CB C 6.437 -1.089 1.898 1.00 . A A . 60 TYR CB 1 1 7 2628 1 1 3 TYR CD1 C 6.321 -0.082 4.209 1.00 . A A . 60 TYR CD1 1 1 7 2629 1 1 3 TYR CD2 C 8.443 -0.220 3.134 1.00 . A A . 60 TYR CD2 1 1 7 2630 1 1 3 TYR CE1 C 6.911 0.515 5.308 1.00 . A A . 60 TYR CE1 1 1 7 2631 1 1 3 TYR CE2 C 9.042 0.379 4.226 1.00 . A A . 60 TYR CE2 1 1 7 2632 1 1 3 TYR CG C 7.079 -0.460 3.110 1.00 . A A . 60 TYR CG 1 1 7 2633 1 1 3 TYR CZ C 8.248 0.650 5.373 1.00 . A A . 60 TYR CZ 1 1 7 2634 1 1 3 TYR H H 8.198 -2.974 1.718 1.00 . A A . 60 TYR H 1 1 7 2635 1 1 3 TYR HA H 5.656 -2.701 3.044 1.00 . A A . 60 TYR HA 1 1 7 2636 1 1 3 TYR HB2 H 7.101 -0.958 1.055 1.00 . A A . 60 TYR HB2 1 1 7 2637 1 1 3 TYR HB3 H 5.507 -0.574 1.707 1.00 . A A . 60 TYR HB3 1 1 7 2638 1 1 3 TYR HD1 H 5.255 -0.261 4.201 1.00 . A A . 60 TYR HD1 1 1 7 2639 1 1 3 TYR HD2 H 9.039 -0.513 2.279 1.00 . A A . 60 TYR HD2 1 1 7 2640 1 1 3 TYR HE1 H 6.307 0.799 6.156 1.00 . A A . 60 TYR HE1 1 1 7 2641 1 1 3 TYR HE2 H 10.105 0.556 4.228 1.00 . A A . 60 TYR HE2 1 1 7 2642 1 1 3 TYR HH H 9.333 2.142 6.115 1.00 . A A . 60 TYR HH 1 1 7 2643 1 1 3 TYR N N 7.408 -3.314 2.180 1.00 . A A . 60 TYR N 1 1 7 2644 1 1 3 TYR O O 5.314 -2.711 -0.154 1.00 . A A . 60 TYR O 1 1 7 2645 1 1 3 TYR OH O 8.864 1.346 6.401 1.00 . A A . 60 TYR OH 1 1 7 2646 1 1 4 VAL C C 2.067 -4.454 1.100 1.00 . A A . 61 VAL C 1 1 7 2647 1 1 4 VAL CA C 3.459 -4.674 0.514 1.00 . A A . 61 VAL CA 1 1 7 2648 1 1 4 VAL CB C 3.728 -6.188 0.340 1.00 . A A . 61 VAL CB 1 1 7 2649 1 1 4 VAL CG1 C 3.773 -6.886 1.686 1.00 . A A . 61 VAL CG1 1 1 7 2650 1 1 4 VAL CG2 C 2.679 -6.827 -0.548 1.00 . A A . 61 VAL CG2 1 1 7 2651 1 1 4 VAL H H 4.505 -4.414 2.312 1.00 . A A . 61 VAL H 1 1 7 2652 1 1 4 VAL HA H 3.527 -4.193 -0.449 1.00 . A A . 61 VAL HA 1 1 7 2653 1 1 4 VAL HB H 4.692 -6.309 -0.133 1.00 . A A . 61 VAL HB 1 1 7 2654 1 1 4 VAL HG11 H 2.843 -6.712 2.207 1.00 . A A . 61 VAL HG11 1 1 7 2655 1 1 4 VAL HG12 H 4.592 -6.490 2.267 1.00 . A A . 61 VAL HG12 1 1 7 2656 1 1 4 VAL HG13 H 3.912 -7.946 1.538 1.00 . A A . 61 VAL HG13 1 1 7 2657 1 1 4 VAL HG21 H 2.879 -7.884 -0.642 1.00 . A A . 61 VAL HG21 1 1 7 2658 1 1 4 VAL HG22 H 2.708 -6.366 -1.525 1.00 . A A . 61 VAL HG22 1 1 7 2659 1 1 4 VAL HG23 H 1.706 -6.680 -0.109 1.00 . A A . 61 VAL HG23 1 1 7 2660 1 1 4 VAL N N 4.442 -4.084 1.392 1.00 . A A . 61 VAL N 1 1 7 2661 1 1 4 VAL O O 1.897 -4.468 2.321 1.00 . A A . 61 VAL O 1 1 7 2662 1 1 5 CYS C C -0.751 -5.388 1.308 1.00 . A A . 62 CYS C 1 1 7 2663 1 1 5 CYS CA C -0.287 -4.077 0.706 1.00 . A A . 62 CYS CA 1 1 7 2664 1 1 5 CYS CB C -1.236 -3.668 -0.423 1.00 . A A . 62 CYS CB 1 1 7 2665 1 1 5 CYS H H 1.287 -4.108 -0.711 1.00 . A A . 62 CYS H 1 1 7 2666 1 1 5 CYS HA H -0.307 -3.317 1.473 1.00 . A A . 62 CYS HA 1 1 7 2667 1 1 5 CYS HB2 H -1.080 -2.629 -0.664 1.00 . A A . 62 CYS HB2 1 1 7 2668 1 1 5 CYS HB3 H -1.045 -4.277 -1.293 1.00 . A A . 62 CYS HB3 1 1 7 2669 1 1 5 CYS N N 1.084 -4.205 0.244 1.00 . A A . 62 CYS N 1 1 7 2670 1 1 5 CYS O O -0.984 -6.364 0.594 1.00 . A A . 62 CYS O 1 1 7 2671 1 1 5 CYS SG S -2.975 -3.839 0.004 1.00 . A A . 62 CYS SG 1 1 7 2672 1 1 6 GLU C C -2.732 -6.998 2.882 1.00 . A A . 63 GLU C 1 1 7 2673 1 1 6 GLU CA C -1.347 -6.562 3.356 1.00 . A A . 63 GLU CA 1 1 7 2674 1 1 6 GLU CB C -1.394 -6.230 4.847 1.00 . A A . 63 GLU CB 1 1 7 2675 1 1 6 GLU CD C -2.236 -4.649 6.629 1.00 . A A . 63 GLU CD 1 1 7 2676 1 1 6 GLU CG C -2.183 -4.965 5.153 1.00 . A A . 63 GLU CG 1 1 7 2677 1 1 6 GLU H H -0.632 -4.593 3.126 1.00 . A A . 63 GLU H 1 1 7 2678 1 1 6 GLU HA H -0.647 -7.368 3.196 1.00 . A A . 63 GLU HA 1 1 7 2679 1 1 6 GLU HB2 H -1.852 -7.053 5.375 1.00 . A A . 63 GLU HB2 1 1 7 2680 1 1 6 GLU HB3 H -0.385 -6.098 5.209 1.00 . A A . 63 GLU HB3 1 1 7 2681 1 1 6 GLU HG2 H -1.720 -4.134 4.642 1.00 . A A . 63 GLU HG2 1 1 7 2682 1 1 6 GLU HG3 H -3.192 -5.091 4.791 1.00 . A A . 63 GLU HG3 1 1 7 2683 1 1 6 GLU N N -0.878 -5.397 2.622 1.00 . A A . 63 GLU N 1 1 7 2684 1 1 6 GLU O O -3.126 -8.147 3.057 1.00 . A A . 63 GLU O 1 1 7 2685 1 1 6 GLU OE1 O -1.275 -4.043 7.146 1.00 . A A . 63 GLU OE1 1 1 7 2686 1 1 6 GLU OE2 O -3.248 -4.989 7.274 1.00 . A A . 63 GLU OE2 1 1 7 2687 1 1 7 ARG C C -4.959 -6.969 0.513 1.00 . A A . 64 ARG C 1 1 7 2688 1 1 7 ARG CA C -4.830 -6.309 1.890 1.00 . A A . 64 ARG CA 1 1 7 2689 1 1 7 ARG CB C -5.610 -5.001 1.934 1.00 . A A . 64 ARG CB 1 1 7 2690 1 1 7 ARG CD C -6.729 -3.372 3.476 1.00 . A A . 64 ARG CD 1 1 7 2691 1 1 7 ARG CG C -5.569 -4.331 3.295 1.00 . A A . 64 ARG CG 1 1 7 2692 1 1 7 ARG CZ C -7.843 -2.201 5.340 1.00 . A A . 64 ARG CZ 1 1 7 2693 1 1 7 ARG H H -3.070 -5.192 2.110 1.00 . A A . 64 ARG H 1 1 7 2694 1 1 7 ARG HA H -5.255 -6.978 2.620 1.00 . A A . 64 ARG HA 1 1 7 2695 1 1 7 ARG HB2 H -5.195 -4.320 1.206 1.00 . A A . 64 ARG HB2 1 1 7 2696 1 1 7 ARG HB3 H -6.636 -5.202 1.685 1.00 . A A . 64 ARG HB3 1 1 7 2697 1 1 7 ARG HD2 H -6.623 -2.561 2.767 1.00 . A A . 64 ARG HD2 1 1 7 2698 1 1 7 ARG HD3 H -7.653 -3.904 3.282 1.00 . A A . 64 ARG HD3 1 1 7 2699 1 1 7 ARG HE H -5.967 -2.904 5.386 1.00 . A A . 64 ARG HE 1 1 7 2700 1 1 7 ARG HG2 H -5.611 -5.090 4.057 1.00 . A A . 64 ARG HG2 1 1 7 2701 1 1 7 ARG HG3 H -4.644 -3.782 3.385 1.00 . A A . 64 ARG HG3 1 1 7 2702 1 1 7 ARG HH11 H -9.029 -2.498 3.716 1.00 . A A . 64 ARG HH11 1 1 7 2703 1 1 7 ARG HH12 H -9.765 -1.639 5.037 1.00 . A A . 64 ARG HH12 1 1 7 2704 1 1 7 ARG HH21 H -6.948 -1.783 7.109 1.00 . A A . 64 ARG HH21 1 1 7 2705 1 1 7 ARG HH22 H -8.592 -1.229 6.957 1.00 . A A . 64 ARG HH22 1 1 7 2706 1 1 7 ARG N N -3.460 -6.069 2.278 1.00 . A A . 64 ARG N 1 1 7 2707 1 1 7 ARG NE N -6.779 -2.814 4.827 1.00 . A A . 64 ARG NE 1 1 7 2708 1 1 7 ARG NH1 N -8.967 -2.102 4.641 1.00 . A A . 64 ARG NH1 1 1 7 2709 1 1 7 ARG NH2 N -7.787 -1.697 6.566 1.00 . A A . 64 ARG NH2 1 1 7 2710 1 1 7 ARG O O -5.744 -7.901 0.362 1.00 . A A . 64 ARG O 1 1 7 2711 1 1 8 CYS C C -3.079 -7.550 -2.467 1.00 . A A . 65 CYS C 1 1 7 2712 1 1 8 CYS CA C -4.400 -7.112 -1.826 1.00 . A A . 65 CYS CA 1 1 7 2713 1 1 8 CYS CB C -5.193 -6.181 -2.753 1.00 . A A . 65 CYS CB 1 1 7 2714 1 1 8 CYS H H -3.544 -5.798 -0.363 1.00 . A A . 65 CYS H 1 1 7 2715 1 1 8 CYS HA H -4.991 -8.005 -1.675 1.00 . A A . 65 CYS HA 1 1 7 2716 1 1 8 CYS HB2 H -5.494 -6.737 -3.630 1.00 . A A . 65 CYS HB2 1 1 7 2717 1 1 8 CYS HB3 H -6.078 -5.842 -2.225 1.00 . A A . 65 CYS HB3 1 1 7 2718 1 1 8 CYS N N -4.216 -6.515 -0.503 1.00 . A A . 65 CYS N 1 1 7 2719 1 1 8 CYS O O -3.050 -7.969 -3.625 1.00 . A A . 65 CYS O 1 1 7 2720 1 1 8 CYS SG S -4.306 -4.719 -3.325 1.00 . A A . 65 CYS SG 1 1 7 2721 1 1 9 GLY C C 0.125 -7.137 -3.015 1.00 . A A . 66 GLY C 1 1 7 2722 1 1 9 GLY CA C -0.735 -8.045 -2.149 1.00 . A A . 66 GLY CA 1 1 7 2723 1 1 9 GLY H H -2.041 -6.999 -0.849 1.00 . A A . 66 GLY H 1 1 7 2724 1 1 9 GLY HA2 H -0.163 -8.316 -1.269 1.00 . A A . 66 GLY HA2 1 1 7 2725 1 1 9 GLY HA3 H -0.956 -8.947 -2.710 1.00 . A A . 66 GLY HA3 1 1 7 2726 1 1 9 GLY N N -1.992 -7.457 -1.715 1.00 . A A . 66 GLY N 1 1 7 2727 1 1 9 GLY O O 1.257 -7.489 -3.338 1.00 . A A . 66 GLY O 1 1 7 2728 1 1 10 LYS C C 1.381 -4.250 -3.464 1.00 . A A . 67 LYS C 1 1 7 2729 1 1 10 LYS CA C 0.367 -5.073 -4.260 1.00 . A A . 67 LYS CA 1 1 7 2730 1 1 10 LYS CB C -0.600 -4.180 -5.022 1.00 . A A . 67 LYS CB 1 1 7 2731 1 1 10 LYS CD C -2.679 -4.127 -6.435 1.00 . A A . 67 LYS CD 1 1 7 2732 1 1 10 LYS CE C -2.182 -3.063 -7.400 1.00 . A A . 67 LYS CE 1 1 7 2733 1 1 10 LYS CG C -1.546 -4.976 -5.903 1.00 . A A . 67 LYS CG 1 1 7 2734 1 1 10 LYS H H -1.299 -5.736 -3.123 1.00 . A A . 67 LYS H 1 1 7 2735 1 1 10 LYS HA H 0.908 -5.681 -4.972 1.00 . A A . 67 LYS HA 1 1 7 2736 1 1 10 LYS HB2 H -1.185 -3.610 -4.313 1.00 . A A . 67 LYS HB2 1 1 7 2737 1 1 10 LYS HB3 H -0.039 -3.502 -5.647 1.00 . A A . 67 LYS HB3 1 1 7 2738 1 1 10 LYS HD2 H -3.384 -4.764 -6.946 1.00 . A A . 67 LYS HD2 1 1 7 2739 1 1 10 LYS HD3 H -3.163 -3.645 -5.599 1.00 . A A . 67 LYS HD3 1 1 7 2740 1 1 10 LYS HE2 H -3.033 -2.537 -7.803 1.00 . A A . 67 LYS HE2 1 1 7 2741 1 1 10 LYS HE3 H -1.555 -2.372 -6.862 1.00 . A A . 67 LYS HE3 1 1 7 2742 1 1 10 LYS HG2 H -0.993 -5.374 -6.739 1.00 . A A . 67 LYS HG2 1 1 7 2743 1 1 10 LYS HG3 H -1.960 -5.789 -5.323 1.00 . A A . 67 LYS HG3 1 1 7 2744 1 1 10 LYS HZ1 H -1.491 -4.687 -8.523 1.00 . A A . 67 LYS HZ1 1 1 7 2745 1 1 10 LYS HZ2 H -0.397 -3.392 -8.432 1.00 . A A . 67 LYS HZ2 1 1 7 2746 1 1 10 LYS HZ3 H -1.762 -3.282 -9.433 1.00 . A A . 67 LYS HZ3 1 1 7 2747 1 1 10 LYS N N -0.389 -5.979 -3.400 1.00 . A A . 67 LYS N 1 1 7 2748 1 1 10 LYS NZ N -1.404 -3.646 -8.522 1.00 . A A . 67 LYS NZ 1 1 7 2749 1 1 10 LYS O O 1.030 -3.544 -2.517 1.00 . A A . 67 LYS O 1 1 7 2750 1 1 11 ARG C C 3.945 -2.274 -3.521 1.00 . A A . 68 ARG C 1 1 7 2751 1 1 11 ARG CA C 3.757 -3.742 -3.163 1.00 . A A . 68 ARG CA 1 1 7 2752 1 1 11 ARG CB C 5.024 -4.506 -3.506 1.00 . A A . 68 ARG CB 1 1 7 2753 1 1 11 ARG CD C 6.085 -6.778 -3.622 1.00 . A A . 68 ARG CD 1 1 7 2754 1 1 11 ARG CG C 5.007 -5.919 -2.984 1.00 . A A . 68 ARG CG 1 1 7 2755 1 1 11 ARG CZ C 5.837 -8.295 -5.559 1.00 . A A . 68 ARG CZ 1 1 7 2756 1 1 11 ARG H H 2.847 -4.942 -4.628 1.00 . A A . 68 ARG H 1 1 7 2757 1 1 11 ARG HA H 3.584 -3.822 -2.103 1.00 . A A . 68 ARG HA 1 1 7 2758 1 1 11 ARG HB2 H 5.134 -4.541 -4.582 1.00 . A A . 68 ARG HB2 1 1 7 2759 1 1 11 ARG HB3 H 5.871 -3.996 -3.076 1.00 . A A . 68 ARG HB3 1 1 7 2760 1 1 11 ARG HD2 H 7.028 -6.254 -3.570 1.00 . A A . 68 ARG HD2 1 1 7 2761 1 1 11 ARG HD3 H 6.159 -7.707 -3.077 1.00 . A A . 68 ARG HD3 1 1 7 2762 1 1 11 ARG HE H 5.498 -6.324 -5.593 1.00 . A A . 68 ARG HE 1 1 7 2763 1 1 11 ARG HG2 H 5.156 -5.885 -1.919 1.00 . A A . 68 ARG HG2 1 1 7 2764 1 1 11 ARG HG3 H 4.041 -6.349 -3.201 1.00 . A A . 68 ARG HG3 1 1 7 2765 1 1 11 ARG HH11 H 6.468 -9.207 -3.853 1.00 . A A . 68 ARG HH11 1 1 7 2766 1 1 11 ARG HH12 H 6.263 -10.255 -5.229 1.00 . A A . 68 ARG HH12 1 1 7 2767 1 1 11 ARG HH21 H 5.202 -7.692 -7.394 1.00 . A A . 68 ARG HH21 1 1 7 2768 1 1 11 ARG HH22 H 5.524 -9.398 -7.236 1.00 . A A . 68 ARG HH22 1 1 7 2769 1 1 11 ARG N N 2.645 -4.373 -3.853 1.00 . A A . 68 ARG N 1 1 7 2770 1 1 11 ARG NE N 5.780 -7.074 -5.024 1.00 . A A . 68 ARG NE 1 1 7 2771 1 1 11 ARG NH1 N 6.218 -9.333 -4.823 1.00 . A A . 68 ARG NH1 1 1 7 2772 1 1 11 ARG NH2 N 5.497 -8.476 -6.828 1.00 . A A . 68 ARG NH2 1 1 7 2773 1 1 11 ARG O O 3.491 -1.801 -4.566 1.00 . A A . 68 ARG O 1 1 7 2774 1 1 12 PHE C C 6.357 0.072 -2.154 1.00 . A A . 69 PHE C 1 1 7 2775 1 1 12 PHE CA C 5.016 -0.185 -2.798 1.00 . A A . 69 PHE CA 1 1 7 2776 1 1 12 PHE CB C 3.962 0.746 -2.200 1.00 . A A . 69 PHE CB 1 1 7 2777 1 1 12 PHE CD1 C 1.757 0.383 -3.321 1.00 . A A . 69 PHE CD1 1 1 7 2778 1 1 12 PHE CD2 C 3.049 2.280 -3.961 1.00 . A A . 69 PHE CD2 1 1 7 2779 1 1 12 PHE CE1 C 0.770 0.749 -4.214 1.00 . A A . 69 PHE CE1 1 1 7 2780 1 1 12 PHE CE2 C 2.066 2.652 -4.852 1.00 . A A . 69 PHE CE2 1 1 7 2781 1 1 12 PHE CG C 2.905 1.144 -3.186 1.00 . A A . 69 PHE CG 1 1 7 2782 1 1 12 PHE CZ C 0.973 1.875 -5.037 1.00 . A A . 69 PHE CZ 1 1 7 2783 1 1 12 PHE H H 4.962 -2.051 -1.826 1.00 . A A . 69 PHE H 1 1 7 2784 1 1 12 PHE HA H 5.107 0.027 -3.849 1.00 . A A . 69 PHE HA 1 1 7 2785 1 1 12 PHE HB2 H 3.480 0.248 -1.374 1.00 . A A . 69 PHE HB2 1 1 7 2786 1 1 12 PHE HB3 H 4.447 1.649 -1.846 1.00 . A A . 69 PHE HB3 1 1 7 2787 1 1 12 PHE HD1 H 1.636 -0.510 -2.721 1.00 . A A . 69 PHE HD1 1 1 7 2788 1 1 12 PHE HD2 H 3.942 2.880 -3.863 1.00 . A A . 69 PHE HD2 1 1 7 2789 1 1 12 PHE HE1 H -0.121 0.147 -4.312 1.00 . A A . 69 PHE HE1 1 1 7 2790 1 1 12 PHE HE2 H 2.188 3.542 -5.453 1.00 . A A . 69 PHE HE2 1 1 7 2791 1 1 12 PHE HZ H 0.222 2.158 -5.760 1.00 . A A . 69 PHE HZ 1 1 7 2792 1 1 12 PHE N N 4.653 -1.585 -2.635 1.00 . A A . 69 PHE N 1 1 7 2793 1 1 12 PHE O O 6.715 -0.525 -1.144 1.00 . A A . 69 PHE O 1 1 7 2794 1 1 13 VAL C C 8.385 2.203 -1.149 1.00 . A A . 70 VAL C 1 1 7 2795 1 1 13 VAL CA C 8.427 1.286 -2.365 1.00 . A A . 70 VAL CA 1 1 7 2796 1 1 13 VAL CB C 9.165 1.969 -3.533 1.00 . A A . 70 VAL CB 1 1 7 2797 1 1 13 VAL CG1 C 10.454 2.597 -3.072 1.00 . A A . 70 VAL CG1 1 1 7 2798 1 1 13 VAL CG2 C 9.426 0.973 -4.654 1.00 . A A . 70 VAL CG2 1 1 7 2799 1 1 13 VAL H H 6.743 1.384 -3.569 1.00 . A A . 70 VAL H 1 1 7 2800 1 1 13 VAL HA H 8.950 0.377 -2.111 1.00 . A A . 70 VAL HA 1 1 7 2801 1 1 13 VAL HB H 8.530 2.752 -3.922 1.00 . A A . 70 VAL HB 1 1 7 2802 1 1 13 VAL HG11 H 10.232 3.331 -2.315 1.00 . A A . 70 VAL HG11 1 1 7 2803 1 1 13 VAL HG12 H 10.940 3.072 -3.908 1.00 . A A . 70 VAL HG12 1 1 7 2804 1 1 13 VAL HG13 H 11.094 1.836 -2.659 1.00 . A A . 70 VAL HG13 1 1 7 2805 1 1 13 VAL HG21 H 9.936 1.470 -5.466 1.00 . A A . 70 VAL HG21 1 1 7 2806 1 1 13 VAL HG22 H 8.485 0.576 -5.010 1.00 . A A . 70 VAL HG22 1 1 7 2807 1 1 13 VAL HG23 H 10.039 0.165 -4.284 1.00 . A A . 70 VAL HG23 1 1 7 2808 1 1 13 VAL N N 7.100 0.945 -2.785 1.00 . A A . 70 VAL N 1 1 7 2809 1 1 13 VAL O O 9.254 2.138 -0.276 1.00 . A A . 70 VAL O 1 1 7 2810 1 1 14 GLN C C 6.123 3.656 0.915 1.00 . A A . 71 GLN C 1 1 7 2811 1 1 14 GLN CA C 7.248 4.014 -0.040 1.00 . A A . 71 GLN CA 1 1 7 2812 1 1 14 GLN CB C 6.993 5.362 -0.678 1.00 . A A . 71 GLN CB 1 1 7 2813 1 1 14 GLN CD C 8.284 7.286 -1.700 1.00 . A A . 71 GLN CD 1 1 7 2814 1 1 14 GLN CG C 8.095 5.782 -1.631 1.00 . A A . 71 GLN CG 1 1 7 2815 1 1 14 GLN H H 6.667 3.031 -1.769 1.00 . A A . 71 GLN H 1 1 7 2816 1 1 14 GLN HA H 8.179 4.047 0.501 1.00 . A A . 71 GLN HA 1 1 7 2817 1 1 14 GLN HB2 H 6.063 5.317 -1.231 1.00 . A A . 71 GLN HB2 1 1 7 2818 1 1 14 GLN HB3 H 6.909 6.089 0.091 1.00 . A A . 71 GLN HB3 1 1 7 2819 1 1 14 GLN HE21 H 7.727 7.482 0.196 1.00 . A A . 71 GLN HE21 1 1 7 2820 1 1 14 GLN HE22 H 8.135 8.951 -0.625 1.00 . A A . 71 GLN HE22 1 1 7 2821 1 1 14 GLN HG2 H 9.017 5.327 -1.309 1.00 . A A . 71 GLN HG2 1 1 7 2822 1 1 14 GLN HG3 H 7.847 5.422 -2.618 1.00 . A A . 71 GLN HG3 1 1 7 2823 1 1 14 GLN N N 7.363 3.047 -1.086 1.00 . A A . 71 GLN N 1 1 7 2824 1 1 14 GLN NE2 N 8.024 7.972 -0.599 1.00 . A A . 71 GLN NE2 1 1 7 2825 1 1 14 GLN O O 5.060 3.197 0.500 1.00 . A A . 71 GLN O 1 1 7 2826 1 1 14 GLN OE1 O 8.677 7.823 -2.733 1.00 . A A . 71 GLN OE1 1 1 7 2827 1 1 15 SER C C 4.199 4.519 3.089 1.00 . A A . 72 SER C 1 1 7 2828 1 1 15 SER CA C 5.411 3.614 3.249 1.00 . A A . 72 SER CA 1 1 7 2829 1 1 15 SER CB C 6.061 3.845 4.615 1.00 . A A . 72 SER CB 1 1 7 2830 1 1 15 SER H H 7.247 4.276 2.441 1.00 . A A . 72 SER H 1 1 7 2831 1 1 15 SER HA H 5.100 2.583 3.168 1.00 . A A . 72 SER HA 1 1 7 2832 1 1 15 SER HB2 H 6.931 3.214 4.707 1.00 . A A . 72 SER HB2 1 1 7 2833 1 1 15 SER HB3 H 6.359 4.880 4.694 1.00 . A A . 72 SER HB3 1 1 7 2834 1 1 15 SER HG H 5.681 3.269 6.453 1.00 . A A . 72 SER HG 1 1 7 2835 1 1 15 SER N N 6.377 3.887 2.196 1.00 . A A . 72 SER N 1 1 7 2836 1 1 15 SER O O 3.060 4.111 3.328 1.00 . A A . 72 SER O 1 1 7 2837 1 1 15 SER OG O 5.171 3.545 5.676 1.00 . A A . 72 SER OG 1 1 7 2838 1 1 16 SER C C 2.492 6.215 1.296 1.00 . A A . 73 SER C 1 1 7 2839 1 1 16 SER CA C 3.404 6.707 2.414 1.00 . A A . 73 SER CA 1 1 7 2840 1 1 16 SER CB C 4.028 8.049 2.045 1.00 . A A . 73 SER CB 1 1 7 2841 1 1 16 SER H H 5.390 6.016 2.514 1.00 . A A . 73 SER H 1 1 7 2842 1 1 16 SER HA H 2.827 6.822 3.319 1.00 . A A . 73 SER HA 1 1 7 2843 1 1 16 SER HB2 H 3.277 8.682 1.594 1.00 . A A . 73 SER HB2 1 1 7 2844 1 1 16 SER HB3 H 4.415 8.521 2.935 1.00 . A A . 73 SER HB3 1 1 7 2845 1 1 16 SER HG H 5.475 8.732 0.906 1.00 . A A . 73 SER HG 1 1 7 2846 1 1 16 SER N N 4.457 5.748 2.666 1.00 . A A . 73 SER N 1 1 7 2847 1 1 16 SER O O 1.273 6.195 1.447 1.00 . A A . 73 SER O 1 1 7 2848 1 1 16 SER OG O 5.091 7.866 1.123 1.00 . A A . 73 SER OG 1 1 7 2849 1 1 17 GLN C C 1.679 3.999 -0.689 1.00 . A A . 74 GLN C 1 1 7 2850 1 1 17 GLN CA C 2.358 5.325 -0.971 1.00 . A A . 74 GLN CA 1 1 7 2851 1 1 17 GLN CB C 3.288 5.194 -2.175 1.00 . A A . 74 GLN CB 1 1 7 2852 1 1 17 GLN CD C 4.895 6.342 -3.743 1.00 . A A . 74 GLN CD 1 1 7 2853 1 1 17 GLN CG C 3.942 6.503 -2.575 1.00 . A A . 74 GLN CG 1 1 7 2854 1 1 17 GLN H H 4.073 5.688 0.193 1.00 . A A . 74 GLN H 1 1 7 2855 1 1 17 GLN HA H 1.605 6.068 -1.182 1.00 . A A . 74 GLN HA 1 1 7 2856 1 1 17 GLN HB2 H 4.071 4.485 -1.938 1.00 . A A . 74 GLN HB2 1 1 7 2857 1 1 17 GLN HB3 H 2.720 4.827 -3.020 1.00 . A A . 74 GLN HB3 1 1 7 2858 1 1 17 GLN HE21 H 4.510 8.194 -4.345 1.00 . A A . 74 GLN HE21 1 1 7 2859 1 1 17 GLN HE22 H 5.652 7.314 -5.297 1.00 . A A . 74 GLN HE22 1 1 7 2860 1 1 17 GLN HG2 H 3.173 7.208 -2.850 1.00 . A A . 74 GLN HG2 1 1 7 2861 1 1 17 GLN HG3 H 4.495 6.884 -1.728 1.00 . A A . 74 GLN HG3 1 1 7 2862 1 1 17 GLN N N 3.101 5.758 0.202 1.00 . A A . 74 GLN N 1 1 7 2863 1 1 17 GLN NE2 N 5.030 7.386 -4.544 1.00 . A A . 74 GLN NE2 1 1 7 2864 1 1 17 GLN O O 0.657 3.673 -1.282 1.00 . A A . 74 GLN O 1 1 7 2865 1 1 17 GLN OE1 O 5.501 5.286 -3.922 1.00 . A A . 74 GLN OE1 1 1 7 2866 1 1 18 LEU C C 0.348 2.275 1.361 1.00 . A A . 75 LEU C 1 1 7 2867 1 1 18 LEU CA C 1.674 2.006 0.688 1.00 . A A . 75 LEU CA 1 1 7 2868 1 1 18 LEU CB C 2.629 1.308 1.663 1.00 . A A . 75 LEU CB 1 1 7 2869 1 1 18 LEU CD1 C 1.490 -0.890 1.612 1.00 . A A . 75 LEU CD1 1 1 7 2870 1 1 18 LEU CD2 C 2.989 -0.337 3.517 1.00 . A A . 75 LEU CD2 1 1 7 2871 1 1 18 LEU CG C 1.997 0.209 2.508 1.00 . A A . 75 LEU CG 1 1 7 2872 1 1 18 LEU H H 3.130 3.522 0.587 1.00 . A A . 75 LEU H 1 1 7 2873 1 1 18 LEU HA H 1.501 1.379 -0.168 1.00 . A A . 75 LEU HA 1 1 7 2874 1 1 18 LEU HB2 H 3.439 0.872 1.089 1.00 . A A . 75 LEU HB2 1 1 7 2875 1 1 18 LEU HB3 H 3.039 2.056 2.331 1.00 . A A . 75 LEU HB3 1 1 7 2876 1 1 18 LEU HD11 H 0.991 -1.637 2.207 1.00 . A A . 75 LEU HD11 1 1 7 2877 1 1 18 LEU HD12 H 2.327 -1.336 1.096 1.00 . A A . 75 LEU HD12 1 1 7 2878 1 1 18 LEU HD13 H 0.800 -0.468 0.896 1.00 . A A . 75 LEU HD13 1 1 7 2879 1 1 18 LEU HD21 H 3.827 -0.774 2.993 1.00 . A A . 75 LEU HD21 1 1 7 2880 1 1 18 LEU HD22 H 2.508 -1.092 4.121 1.00 . A A . 75 LEU HD22 1 1 7 2881 1 1 18 LEU HD23 H 3.336 0.465 4.151 1.00 . A A . 75 LEU HD23 1 1 7 2882 1 1 18 LEU HG H 1.155 0.616 3.049 1.00 . A A . 75 LEU HG 1 1 7 2883 1 1 18 LEU N N 2.264 3.243 0.223 1.00 . A A . 75 LEU N 1 1 7 2884 1 1 18 LEU O O -0.683 1.745 0.957 1.00 . A A . 75 LEU O 1 1 7 2885 1 1 19 ALA C C -1.713 4.330 2.151 1.00 . A A . 76 ALA C 1 1 7 2886 1 1 19 ALA CA C -0.851 3.470 3.063 1.00 . A A . 76 ALA CA 1 1 7 2887 1 1 19 ALA CB C -0.555 4.187 4.370 1.00 . A A . 76 ALA CB 1 1 7 2888 1 1 19 ALA H H 1.237 3.417 2.717 1.00 . A A . 76 ALA H 1 1 7 2889 1 1 19 ALA HA H -1.402 2.556 3.285 1.00 . A A . 76 ALA HA 1 1 7 2890 1 1 19 ALA HB1 H 0.053 3.553 5.000 1.00 . A A . 76 ALA HB1 1 1 7 2891 1 1 19 ALA HB2 H -1.481 4.414 4.876 1.00 . A A . 76 ALA HB2 1 1 7 2892 1 1 19 ALA HB3 H -0.023 5.106 4.165 1.00 . A A . 76 ALA HB3 1 1 7 2893 1 1 19 ALA N N 0.374 3.091 2.388 1.00 . A A . 76 ALA N 1 1 7 2894 1 1 19 ALA O O -2.925 4.364 2.311 1.00 . A A . 76 ALA O 1 1 7 2895 1 1 20 ASN C C -2.681 4.674 -0.610 1.00 . A A . 77 ASN C 1 1 7 2896 1 1 20 ASN CA C -1.861 5.702 0.153 1.00 . A A . 77 ASN CA 1 1 7 2897 1 1 20 ASN CB C -0.935 6.461 -0.806 1.00 . A A . 77 ASN CB 1 1 7 2898 1 1 20 ASN CG C -1.677 7.098 -1.966 1.00 . A A . 77 ASN CG 1 1 7 2899 1 1 20 ASN H H -0.102 5.065 1.180 1.00 . A A . 77 ASN H 1 1 7 2900 1 1 20 ASN HA H -2.530 6.400 0.638 1.00 . A A . 77 ASN HA 1 1 7 2901 1 1 20 ASN HB2 H -0.425 7.242 -0.262 1.00 . A A . 77 ASN HB2 1 1 7 2902 1 1 20 ASN HB3 H -0.203 5.775 -1.205 1.00 . A A . 77 ASN HB3 1 1 7 2903 1 1 20 ASN HD21 H -1.988 8.742 -0.893 1.00 . A A . 77 ASN HD21 1 1 7 2904 1 1 20 ASN HD22 H -2.632 8.758 -2.512 1.00 . A A . 77 ASN HD22 1 1 7 2905 1 1 20 ASN N N -1.094 5.013 1.190 1.00 . A A . 77 ASN N 1 1 7 2906 1 1 20 ASN ND2 N -2.146 8.319 -1.770 1.00 . A A . 77 ASN ND2 1 1 7 2907 1 1 20 ASN O O -3.871 4.865 -0.872 1.00 . A A . 77 ASN O 1 1 7 2908 1 1 20 ASN OD1 O -1.826 6.496 -3.033 1.00 . A A . 77 ASN OD1 1 1 7 2909 1 1 21 HIS C C -3.783 1.861 -0.669 1.00 . A A . 78 HIS C 1 1 7 2910 1 1 21 HIS CA C -2.674 2.431 -1.561 1.00 . A A . 78 HIS CA 1 1 7 2911 1 1 21 HIS CB C -1.599 1.382 -1.842 1.00 . A A . 78 HIS CB 1 1 7 2912 1 1 21 HIS CD2 C -2.489 -1.006 -1.715 1.00 . A A . 78 HIS CD2 1 1 7 2913 1 1 21 HIS CE1 C -2.559 -1.480 -3.824 1.00 . A A . 78 HIS CE1 1 1 7 2914 1 1 21 HIS CG C -2.090 0.091 -2.378 1.00 . A A . 78 HIS CG 1 1 7 2915 1 1 21 HIS H H -1.064 3.485 -0.693 1.00 . A A . 78 HIS H 1 1 7 2916 1 1 21 HIS HA H -3.101 2.766 -2.494 1.00 . A A . 78 HIS HA 1 1 7 2917 1 1 21 HIS HB2 H -0.904 1.778 -2.561 1.00 . A A . 78 HIS HB2 1 1 7 2918 1 1 21 HIS HB3 H -1.069 1.174 -0.919 1.00 . A A . 78 HIS HB3 1 1 7 2919 1 1 21 HIS HD1 H -1.926 0.388 -4.457 1.00 . A A . 78 HIS HD1 1 1 7 2920 1 1 21 HIS HD2 H -2.560 -1.099 -0.641 1.00 . A A . 78 HIS HD2 1 1 7 2921 1 1 21 HIS HE1 H -2.685 -2.003 -4.760 1.00 . A A . 78 HIS HE1 1 1 7 2922 1 1 21 HIS N N -2.032 3.558 -0.917 1.00 . A A . 78 HIS N 1 1 7 2923 1 1 21 HIS ND1 N -2.143 -0.218 -3.715 1.00 . A A . 78 HIS ND1 1 1 7 2924 1 1 21 HIS NE2 N -2.785 -2.010 -2.628 1.00 . A A . 78 HIS NE2 1 1 7 2925 1 1 21 HIS O O -4.877 1.535 -1.138 1.00 . A A . 78 HIS O 1 1 7 2926 1 1 22 ILE C C -5.629 2.159 1.759 1.00 . A A . 79 ILE C 1 1 7 2927 1 1 22 ILE CA C -4.434 1.221 1.588 1.00 . A A . 79 ILE CA 1 1 7 2928 1 1 22 ILE CB C -3.770 1.013 2.964 1.00 . A A . 79 ILE CB 1 1 7 2929 1 1 22 ILE CD1 C -2.728 -1.170 2.205 1.00 . A A . 79 ILE CD1 1 1 7 2930 1 1 22 ILE CG1 C -2.497 0.185 2.820 1.00 . A A . 79 ILE CG1 1 1 7 2931 1 1 22 ILE CG2 C -4.733 0.331 3.917 1.00 . A A . 79 ILE CG2 1 1 7 2932 1 1 22 ILE H H -2.605 2.040 0.935 1.00 . A A . 79 ILE H 1 1 7 2933 1 1 22 ILE HA H -4.778 0.259 1.225 1.00 . A A . 79 ILE HA 1 1 7 2934 1 1 22 ILE HB H -3.519 1.980 3.371 1.00 . A A . 79 ILE HB 1 1 7 2935 1 1 22 ILE HD11 H -3.146 -1.045 1.219 1.00 . A A . 79 ILE HD11 1 1 7 2936 1 1 22 ILE HD12 H -3.418 -1.730 2.821 1.00 . A A . 79 ILE HD12 1 1 7 2937 1 1 22 ILE HD13 H -1.790 -1.696 2.135 1.00 . A A . 79 ILE HD13 1 1 7 2938 1 1 22 ILE HG12 H -1.804 0.716 2.186 1.00 . A A . 79 ILE HG12 1 1 7 2939 1 1 22 ILE HG13 H -2.056 0.039 3.797 1.00 . A A . 79 ILE HG13 1 1 7 2940 1 1 22 ILE HG21 H -5.012 -0.630 3.509 1.00 . A A . 79 ILE HG21 1 1 7 2941 1 1 22 ILE HG22 H -5.612 0.943 4.036 1.00 . A A . 79 ILE HG22 1 1 7 2942 1 1 22 ILE HG23 H -4.254 0.192 4.873 1.00 . A A . 79 ILE HG23 1 1 7 2943 1 1 22 ILE N N -3.489 1.755 0.622 1.00 . A A . 79 ILE N 1 1 7 2944 1 1 22 ILE O O -6.765 1.710 1.883 1.00 . A A . 79 ILE O 1 1 7 2945 1 1 23 ARG C C -7.497 4.345 0.871 1.00 . A A . 80 ARG C 1 1 7 2946 1 1 23 ARG CA C -6.390 4.466 1.916 1.00 . A A . 80 ARG CA 1 1 7 2947 1 1 23 ARG CB C -5.742 5.838 1.838 1.00 . A A . 80 ARG CB 1 1 7 2948 1 1 23 ARG CD C -6.070 6.503 4.244 1.00 . A A . 80 ARG CD 1 1 7 2949 1 1 23 ARG CG C -5.064 6.269 3.129 1.00 . A A . 80 ARG CG 1 1 7 2950 1 1 23 ARG CZ C -8.282 7.534 3.874 1.00 . A A . 80 ARG CZ 1 1 7 2951 1 1 23 ARG H H -4.430 3.764 1.670 1.00 . A A . 80 ARG H 1 1 7 2952 1 1 23 ARG HA H -6.821 4.342 2.897 1.00 . A A . 80 ARG HA 1 1 7 2953 1 1 23 ARG HB2 H -4.996 5.826 1.055 1.00 . A A . 80 ARG HB2 1 1 7 2954 1 1 23 ARG HB3 H -6.487 6.554 1.590 1.00 . A A . 80 ARG HB3 1 1 7 2955 1 1 23 ARG HD2 H -6.669 5.610 4.367 1.00 . A A . 80 ARG HD2 1 1 7 2956 1 1 23 ARG HD3 H -5.531 6.702 5.159 1.00 . A A . 80 ARG HD3 1 1 7 2957 1 1 23 ARG HE H -6.534 8.515 3.836 1.00 . A A . 80 ARG HE 1 1 7 2958 1 1 23 ARG HG2 H -4.380 5.493 3.438 1.00 . A A . 80 ARG HG2 1 1 7 2959 1 1 23 ARG HG3 H -4.519 7.181 2.948 1.00 . A A . 80 ARG HG3 1 1 7 2960 1 1 23 ARG HH11 H -8.327 5.543 4.270 1.00 . A A . 80 ARG HH11 1 1 7 2961 1 1 23 ARG HH12 H -9.873 6.284 3.999 1.00 . A A . 80 ARG HH12 1 1 7 2962 1 1 23 ARG HH21 H -8.578 9.502 3.470 1.00 . A A . 80 ARG HH21 1 1 7 2963 1 1 23 ARG HH22 H -10.020 8.530 3.550 1.00 . A A . 80 ARG HH22 1 1 7 2964 1 1 23 ARG N N -5.362 3.460 1.755 1.00 . A A . 80 ARG N 1 1 7 2965 1 1 23 ARG NE N -6.955 7.632 3.959 1.00 . A A . 80 ARG NE 1 1 7 2966 1 1 23 ARG NH1 N -8.875 6.361 4.062 1.00 . A A . 80 ARG NH1 1 1 7 2967 1 1 23 ARG NH2 N -9.018 8.606 3.609 1.00 . A A . 80 ARG NH2 1 1 7 2968 1 1 23 ARG O O -8.629 4.755 1.115 1.00 . A A . 80 ARG O 1 1 7 2969 1 1 24 HIS C C -8.948 2.324 -1.179 1.00 . A A . 81 HIS C 1 1 7 2970 1 1 24 HIS CA C -8.161 3.626 -1.351 1.00 . A A . 81 HIS CA 1 1 7 2971 1 1 24 HIS CB C -7.470 3.671 -2.720 1.00 . A A . 81 HIS CB 1 1 7 2972 1 1 24 HIS CD2 C -9.507 4.570 -4.054 1.00 . A A . 81 HIS CD2 1 1 7 2973 1 1 24 HIS CE1 C -9.257 3.372 -5.871 1.00 . A A . 81 HIS CE1 1 1 7 2974 1 1 24 HIS CG C -8.418 3.786 -3.878 1.00 . A A . 81 HIS CG 1 1 7 2975 1 1 24 HIS H H -6.260 3.450 -0.423 1.00 . A A . 81 HIS H 1 1 7 2976 1 1 24 HIS HA H -8.849 4.456 -1.277 1.00 . A A . 81 HIS HA 1 1 7 2977 1 1 24 HIS HB2 H -6.810 4.524 -2.751 1.00 . A A . 81 HIS HB2 1 1 7 2978 1 1 24 HIS HB3 H -6.890 2.769 -2.852 1.00 . A A . 81 HIS HB3 1 1 7 2979 1 1 24 HIS HD1 H -7.581 2.380 -5.219 1.00 . A A . 81 HIS HD1 1 1 7 2980 1 1 24 HIS HD2 H -9.906 5.283 -3.345 1.00 . A A . 81 HIS HD2 1 1 7 2981 1 1 24 HIS HE1 H -9.407 2.955 -6.855 1.00 . A A . 81 HIS HE1 1 1 7 2982 1 1 24 HIS HE2 H -10.791 4.728 -5.715 1.00 . A A . 81 HIS HE2 1 1 7 2983 1 1 24 HIS N N -7.175 3.775 -0.284 1.00 . A A . 81 HIS N 1 1 7 2984 1 1 24 HIS ND1 N -8.289 3.047 -5.034 1.00 . A A . 81 HIS ND1 1 1 7 2985 1 1 24 HIS NE2 N -10.008 4.292 -5.300 1.00 . A A . 81 HIS NE2 1 1 7 2986 1 1 24 HIS O O -9.839 2.013 -1.965 1.00 . A A . 81 HIS O 1 1 7 2987 1 1 25 HIS C C -10.539 0.612 1.021 1.00 . A A . 82 HIS C 1 1 7 2988 1 1 25 HIS CA C -9.315 0.331 0.171 1.00 . A A . 82 HIS CA 1 1 7 2989 1 1 25 HIS CB C -8.400 -0.639 0.923 1.00 . A A . 82 HIS CB 1 1 7 2990 1 1 25 HIS CD2 C -6.367 -1.984 0.127 1.00 . A A . 82 HIS CD2 1 1 7 2991 1 1 25 HIS CE1 C -7.273 -3.154 -1.455 1.00 . A A . 82 HIS CE1 1 1 7 2992 1 1 25 HIS CG C -7.661 -1.608 0.064 1.00 . A A . 82 HIS CG 1 1 7 2993 1 1 25 HIS H H -7.859 1.852 0.428 1.00 . A A . 82 HIS H 1 1 7 2994 1 1 25 HIS HA H -9.628 -0.113 -0.746 1.00 . A A . 82 HIS HA 1 1 7 2995 1 1 25 HIS HB2 H -7.664 -0.067 1.463 1.00 . A A . 82 HIS HB2 1 1 7 2996 1 1 25 HIS HB3 H -8.981 -1.203 1.629 1.00 . A A . 82 HIS HB3 1 1 7 2997 1 1 25 HIS HD1 H -9.174 -2.334 -1.231 1.00 . A A . 82 HIS HD1 1 1 7 2998 1 1 25 HIS HD2 H -5.623 -1.590 0.812 1.00 . A A . 82 HIS HD2 1 1 7 2999 1 1 25 HIS HE1 H -7.416 -3.857 -2.262 1.00 . A A . 82 HIS HE1 1 1 7 3000 1 1 25 HIS N N -8.606 1.567 -0.146 1.00 . A A . 82 HIS N 1 1 7 3001 1 1 25 HIS ND1 N -8.231 -2.357 -0.950 1.00 . A A . 82 HIS ND1 1 1 7 3002 1 1 25 HIS NE2 N -6.133 -2.958 -0.827 1.00 . A A . 82 HIS NE2 1 1 7 3003 1 1 25 HIS O O -11.596 0.002 0.848 1.00 . A A . 82 HIS O 1 1 7 3004 1 1 26 ASP C C -11.433 3.316 3.251 1.00 . A A . 83 ASP C 1 1 7 3005 1 1 26 ASP CA C -11.388 1.830 2.934 1.00 . A A . 83 ASP CA 1 1 7 3006 1 1 26 ASP CB C -11.092 1.023 4.200 1.00 . A A . 83 ASP CB 1 1 7 3007 1 1 26 ASP CG C -12.032 1.352 5.341 1.00 . A A . 83 ASP CG 1 1 7 3008 1 1 26 ASP H H -9.566 2.087 1.892 1.00 . A A . 83 ASP H 1 1 7 3009 1 1 26 ASP HA H -12.348 1.528 2.540 1.00 . A A . 83 ASP HA 1 1 7 3010 1 1 26 ASP HB2 H -11.190 -0.030 3.977 1.00 . A A . 83 ASP HB2 1 1 7 3011 1 1 26 ASP HB3 H -10.079 1.230 4.523 1.00 . A A . 83 ASP HB3 1 1 7 3012 1 1 26 ASP N N -10.382 1.551 1.920 1.00 . A A . 83 ASP N 1 1 7 3013 1 1 26 ASP O O -12.360 3.996 2.767 1.00 . A A . 83 ASP O 1 1 7 3014 1 1 26 ASP OXT O -10.529 3.804 3.955 1.00 . A A . 83 ASP OXT 1 1 7 3015 1 1 26 ASP OD1 O -13.250 1.128 5.192 1.00 . A A . 83 ASP OD1 1 1 7 3016 1 1 26 ASP OD2 O -11.564 1.869 6.377 1.00 . A A . 83 ASP OD2 1 1 7 3017 2 2 1 ZN ZN ZN -4.338 -3.087 -1.701 1.00 . B A . 101 ZN ZN 1 1 8 3018 1 1 1 LYS C C 9.815 -5.081 1.401 1.00 . A A . 58 LYS C 1 1 8 3019 1 1 1 LYS CA C 10.947 -4.889 0.397 1.00 . A A . 58 LYS CA 1 1 8 3020 1 1 1 LYS CB C 10.623 -3.730 -0.557 1.00 . A A . 58 LYS CB 1 1 8 3021 1 1 1 LYS CD C 12.966 -2.831 -0.653 1.00 . A A . 58 LYS CD 1 1 8 3022 1 1 1 LYS CE C 14.158 -2.488 -1.535 1.00 . A A . 58 LYS CE 1 1 8 3023 1 1 1 LYS CG C 11.781 -3.338 -1.461 1.00 . A A . 58 LYS CG 1 1 8 3024 1 1 1 LYS H1 H 11.970 -6.039 -1.012 1.00 . A A . 58 LYS H1 1 1 8 3025 1 1 1 LYS H2 H 10.310 -6.363 -0.923 1.00 . A A . 58 LYS H2 1 1 8 3026 1 1 1 LYS H3 H 11.348 -6.930 0.293 1.00 . A A . 58 LYS H3 1 1 8 3027 1 1 1 LYS HA H 11.854 -4.662 0.938 1.00 . A A . 58 LYS HA 1 1 8 3028 1 1 1 LYS HB2 H 9.790 -4.016 -1.183 1.00 . A A . 58 LYS HB2 1 1 8 3029 1 1 1 LYS HB3 H 10.342 -2.867 0.027 1.00 . A A . 58 LYS HB3 1 1 8 3030 1 1 1 LYS HD2 H 12.666 -1.943 -0.115 1.00 . A A . 58 LYS HD2 1 1 8 3031 1 1 1 LYS HD3 H 13.259 -3.596 0.052 1.00 . A A . 58 LYS HD3 1 1 8 3032 1 1 1 LYS HE2 H 14.983 -2.196 -0.905 1.00 . A A . 58 LYS HE2 1 1 8 3033 1 1 1 LYS HE3 H 14.431 -3.365 -2.102 1.00 . A A . 58 LYS HE3 1 1 8 3034 1 1 1 LYS HG2 H 12.091 -4.200 -2.032 1.00 . A A . 58 LYS HG2 1 1 8 3035 1 1 1 LYS HG3 H 11.454 -2.557 -2.133 1.00 . A A . 58 LYS HG3 1 1 8 3036 1 1 1 LYS HZ1 H 13.134 -1.672 -3.167 1.00 . A A . 58 LYS HZ1 1 1 8 3037 1 1 1 LYS HZ2 H 14.723 -1.105 -2.999 1.00 . A A . 58 LYS HZ2 1 1 8 3038 1 1 1 LYS HZ3 H 13.509 -0.544 -1.955 1.00 . A A . 58 LYS HZ3 1 1 8 3039 1 1 1 LYS N N 11.160 -6.139 -0.364 1.00 . A A . 58 LYS N 1 1 8 3040 1 1 1 LYS NZ N 13.858 -1.377 -2.478 1.00 . A A . 58 LYS NZ 1 1 8 3041 1 1 1 LYS O O 8.794 -5.690 1.084 1.00 . A A . 58 LYS O 1 1 8 3042 1 1 2 PRO C C 7.819 -3.820 3.632 1.00 . A A . 59 PRO C 1 1 8 3043 1 1 2 PRO CA C 9.023 -4.758 3.716 1.00 . A A . 59 PRO CA 1 1 8 3044 1 1 2 PRO CB C 9.863 -4.448 4.953 1.00 . A A . 59 PRO CB 1 1 8 3045 1 1 2 PRO CD C 11.128 -3.734 3.057 1.00 . A A . 59 PRO CD 1 1 8 3046 1 1 2 PRO CG C 10.800 -3.396 4.488 1.00 . A A . 59 PRO CG 1 1 8 3047 1 1 2 PRO HA H 8.680 -5.776 3.760 1.00 . A A . 59 PRO HA 1 1 8 3048 1 1 2 PRO HB2 H 9.223 -4.092 5.751 1.00 . A A . 59 PRO HB2 1 1 8 3049 1 1 2 PRO HB3 H 10.391 -5.338 5.267 1.00 . A A . 59 PRO HB3 1 1 8 3050 1 1 2 PRO HD2 H 11.196 -2.833 2.463 1.00 . A A . 59 PRO HD2 1 1 8 3051 1 1 2 PRO HD3 H 12.050 -4.293 3.002 1.00 . A A . 59 PRO HD3 1 1 8 3052 1 1 2 PRO HG2 H 10.316 -2.434 4.541 1.00 . A A . 59 PRO HG2 1 1 8 3053 1 1 2 PRO HG3 H 11.695 -3.404 5.092 1.00 . A A . 59 PRO HG3 1 1 8 3054 1 1 2 PRO N N 9.982 -4.561 2.626 1.00 . A A . 59 PRO N 1 1 8 3055 1 1 2 PRO O O 7.307 -3.356 4.649 1.00 . A A . 59 PRO O 1 1 8 3056 1 1 3 TYR C C 5.327 -3.221 1.114 1.00 . A A . 60 TYR C 1 1 8 3057 1 1 3 TYR CA C 6.230 -2.670 2.205 1.00 . A A . 60 TYR CA 1 1 8 3058 1 1 3 TYR CB C 6.693 -1.257 1.849 1.00 . A A . 60 TYR CB 1 1 8 3059 1 1 3 TYR CD1 C 6.600 0.034 4.001 1.00 . A A . 60 TYR CD1 1 1 8 3060 1 1 3 TYR CD2 C 8.744 -0.442 3.075 1.00 . A A . 60 TYR CD2 1 1 8 3061 1 1 3 TYR CE1 C 7.198 0.686 5.059 1.00 . A A . 60 TYR CE1 1 1 8 3062 1 1 3 TYR CE2 C 9.351 0.206 4.132 1.00 . A A . 60 TYR CE2 1 1 8 3063 1 1 3 TYR CG C 7.360 -0.537 2.994 1.00 . A A . 60 TYR CG 1 1 8 3064 1 1 3 TYR CZ C 8.574 0.768 5.121 1.00 . A A . 60 TYR CZ 1 1 8 3065 1 1 3 TYR H H 7.796 -3.968 1.641 1.00 . A A . 60 TYR H 1 1 8 3066 1 1 3 TYR HA H 5.669 -2.632 3.128 1.00 . A A . 60 TYR HA 1 1 8 3067 1 1 3 TYR HB2 H 7.399 -1.311 1.035 1.00 . A A . 60 TYR HB2 1 1 8 3068 1 1 3 TYR HB3 H 5.839 -0.672 1.540 1.00 . A A . 60 TYR HB3 1 1 8 3069 1 1 3 TYR HD1 H 5.519 -0.033 3.947 1.00 . A A . 60 TYR HD1 1 1 8 3070 1 1 3 TYR HD2 H 9.348 -0.885 2.295 1.00 . A A . 60 TYR HD2 1 1 8 3071 1 1 3 TYR HE1 H 6.589 1.126 5.836 1.00 . A A . 60 TYR HE1 1 1 8 3072 1 1 3 TYR HE2 H 10.427 0.272 4.180 1.00 . A A . 60 TYR HE2 1 1 8 3073 1 1 3 TYR HH H 9.907 1.954 5.848 1.00 . A A . 60 TYR HH 1 1 8 3074 1 1 3 TYR N N 7.366 -3.550 2.416 1.00 . A A . 60 TYR N 1 1 8 3075 1 1 3 TYR O O 5.486 -2.919 -0.068 1.00 . A A . 60 TYR O 1 1 8 3076 1 1 3 TYR OH O 9.174 1.414 6.178 1.00 . A A . 60 TYR OH 1 1 8 3077 1 1 4 VAL C C 2.060 -4.620 1.279 1.00 . A A . 61 VAL C 1 1 8 3078 1 1 4 VAL CA C 3.426 -4.640 0.626 1.00 . A A . 61 VAL CA 1 1 8 3079 1 1 4 VAL CB C 3.807 -6.101 0.285 1.00 . A A . 61 VAL CB 1 1 8 3080 1 1 4 VAL CG1 C 2.723 -6.768 -0.543 1.00 . A A . 61 VAL CG1 1 1 8 3081 1 1 4 VAL CG2 C 5.130 -6.146 -0.454 1.00 . A A . 61 VAL CG2 1 1 8 3082 1 1 4 VAL H H 4.330 -4.262 2.478 1.00 . A A . 61 VAL H 1 1 8 3083 1 1 4 VAL HA H 3.400 -4.060 -0.285 1.00 . A A . 61 VAL HA 1 1 8 3084 1 1 4 VAL HB H 3.915 -6.650 1.210 1.00 . A A . 61 VAL HB 1 1 8 3085 1 1 4 VAL HG11 H 1.787 -6.731 -0.007 1.00 . A A . 61 VAL HG11 1 1 8 3086 1 1 4 VAL HG12 H 2.994 -7.797 -0.726 1.00 . A A . 61 VAL HG12 1 1 8 3087 1 1 4 VAL HG13 H 2.621 -6.249 -1.484 1.00 . A A . 61 VAL HG13 1 1 8 3088 1 1 4 VAL HG21 H 5.036 -5.598 -1.377 1.00 . A A . 61 VAL HG21 1 1 8 3089 1 1 4 VAL HG22 H 5.390 -7.173 -0.668 1.00 . A A . 61 VAL HG22 1 1 8 3090 1 1 4 VAL HG23 H 5.898 -5.697 0.156 1.00 . A A . 61 VAL HG23 1 1 8 3091 1 1 4 VAL N N 4.387 -4.045 1.528 1.00 . A A . 61 VAL N 1 1 8 3092 1 1 4 VAL O O 1.943 -4.836 2.486 1.00 . A A . 61 VAL O 1 1 8 3093 1 1 5 CYS C C -0.670 -5.885 1.167 1.00 . A A . 62 CYS C 1 1 8 3094 1 1 5 CYS CA C -0.321 -4.425 0.993 1.00 . A A . 62 CYS CA 1 1 8 3095 1 1 5 CYS CB C -1.317 -3.777 0.030 1.00 . A A . 62 CYS CB 1 1 8 3096 1 1 5 CYS H H 1.201 -4.064 -0.436 1.00 . A A . 62 CYS H 1 1 8 3097 1 1 5 CYS HA H -0.368 -3.928 1.950 1.00 . A A . 62 CYS HA 1 1 8 3098 1 1 5 CYS HB2 H -1.168 -2.718 0.024 1.00 . A A . 62 CYS HB2 1 1 8 3099 1 1 5 CYS HB3 H -1.159 -4.168 -0.964 1.00 . A A . 62 CYS HB3 1 1 8 3100 1 1 5 CYS N N 1.036 -4.329 0.499 1.00 . A A . 62 CYS N 1 1 8 3101 1 1 5 CYS O O -0.938 -6.576 0.194 1.00 . A A . 62 CYS O 1 1 8 3102 1 1 5 CYS SG S -3.047 -4.039 0.450 1.00 . A A . 62 CYS SG 1 1 8 3103 1 1 6 GLU C C -2.477 -7.976 2.459 1.00 . A A . 63 GLU C 1 1 8 3104 1 1 6 GLU CA C -0.988 -7.741 2.672 1.00 . A A . 63 GLU CA 1 1 8 3105 1 1 6 GLU CB C -0.589 -8.127 4.107 1.00 . A A . 63 GLU CB 1 1 8 3106 1 1 6 GLU CD C -0.754 -5.945 5.386 1.00 . A A . 63 GLU CD 1 1 8 3107 1 1 6 GLU CG C 0.159 -7.047 4.881 1.00 . A A . 63 GLU CG 1 1 8 3108 1 1 6 GLU H H -0.453 -5.748 3.148 1.00 . A A . 63 GLU H 1 1 8 3109 1 1 6 GLU HA H -0.434 -8.353 1.975 1.00 . A A . 63 GLU HA 1 1 8 3110 1 1 6 GLU HB2 H -1.484 -8.369 4.659 1.00 . A A . 63 GLU HB2 1 1 8 3111 1 1 6 GLU HB3 H 0.040 -9.005 4.065 1.00 . A A . 63 GLU HB3 1 1 8 3112 1 1 6 GLU HG2 H 0.649 -7.504 5.728 1.00 . A A . 63 GLU HG2 1 1 8 3113 1 1 6 GLU HG3 H 0.903 -6.609 4.231 1.00 . A A . 63 GLU HG3 1 1 8 3114 1 1 6 GLU N N -0.668 -6.353 2.398 1.00 . A A . 63 GLU N 1 1 8 3115 1 1 6 GLU O O -2.959 -9.107 2.489 1.00 . A A . 63 GLU O 1 1 8 3116 1 1 6 GLU OE1 O -1.348 -6.111 6.470 1.00 . A A . 63 GLU OE1 1 1 8 3117 1 1 6 GLU OE2 O -0.882 -4.913 4.694 1.00 . A A . 63 GLU OE2 1 1 8 3118 1 1 7 ARG C C -5.094 -7.110 0.657 1.00 . A A . 64 ARG C 1 1 8 3119 1 1 7 ARG CA C -4.632 -6.931 2.108 1.00 . A A . 64 ARG CA 1 1 8 3120 1 1 7 ARG CB C -5.209 -5.671 2.742 1.00 . A A . 64 ARG CB 1 1 8 3121 1 1 7 ARG CD C -5.298 -4.307 4.874 1.00 . A A . 64 ARG CD 1 1 8 3122 1 1 7 ARG CG C -4.577 -5.387 4.096 1.00 . A A . 64 ARG CG 1 1 8 3123 1 1 7 ARG CZ C -5.143 -3.722 7.271 1.00 . A A . 64 ARG CZ 1 1 8 3124 1 1 7 ARG H H -2.745 -6.026 2.147 1.00 . A A . 64 ARG H 1 1 8 3125 1 1 7 ARG HA H -4.972 -7.783 2.676 1.00 . A A . 64 ARG HA 1 1 8 3126 1 1 7 ARG HB2 H -5.030 -4.829 2.091 1.00 . A A . 64 ARG HB2 1 1 8 3127 1 1 7 ARG HB3 H -6.267 -5.799 2.879 1.00 . A A . 64 ARG HB3 1 1 8 3128 1 1 7 ARG HD2 H -5.371 -3.418 4.258 1.00 . A A . 64 ARG HD2 1 1 8 3129 1 1 7 ARG HD3 H -6.288 -4.658 5.133 1.00 . A A . 64 ARG HD3 1 1 8 3130 1 1 7 ARG HE H -3.588 -3.969 6.044 1.00 . A A . 64 ARG HE 1 1 8 3131 1 1 7 ARG HG2 H -4.586 -6.294 4.679 1.00 . A A . 64 ARG HG2 1 1 8 3132 1 1 7 ARG HG3 H -3.554 -5.078 3.940 1.00 . A A . 64 ARG HG3 1 1 8 3133 1 1 7 ARG HH11 H -7.046 -3.928 6.597 1.00 . A A . 64 ARG HH11 1 1 8 3134 1 1 7 ARG HH12 H -6.895 -3.541 8.285 1.00 . A A . 64 ARG HH12 1 1 8 3135 1 1 7 ARG HH21 H -3.373 -3.461 8.229 1.00 . A A . 64 ARG HH21 1 1 8 3136 1 1 7 ARG HH22 H -4.793 -3.254 9.220 1.00 . A A . 64 ARG HH22 1 1 8 3137 1 1 7 ARG N N -3.197 -6.888 2.223 1.00 . A A . 64 ARG N 1 1 8 3138 1 1 7 ARG NE N -4.571 -3.982 6.099 1.00 . A A . 64 ARG NE 1 1 8 3139 1 1 7 ARG NH1 N -6.467 -3.727 7.393 1.00 . A A . 64 ARG NH1 1 1 8 3140 1 1 7 ARG NH2 N -4.379 -3.460 8.323 1.00 . A A . 64 ARG NH2 1 1 8 3141 1 1 7 ARG O O -6.205 -7.579 0.428 1.00 . A A . 64 ARG O 1 1 8 3142 1 1 8 CYS C C -3.361 -7.596 -2.502 1.00 . A A . 65 CYS C 1 1 8 3143 1 1 8 CYS CA C -4.598 -7.136 -1.710 1.00 . A A . 65 CYS CA 1 1 8 3144 1 1 8 CYS CB C -5.381 -6.045 -2.459 1.00 . A A . 65 CYS CB 1 1 8 3145 1 1 8 CYS H H -3.475 -6.169 -0.148 1.00 . A A . 65 CYS H 1 1 8 3146 1 1 8 CYS HA H -5.246 -7.997 -1.620 1.00 . A A . 65 CYS HA 1 1 8 3147 1 1 8 CYS HB2 H -5.786 -6.468 -3.370 1.00 . A A . 65 CYS HB2 1 1 8 3148 1 1 8 CYS HB3 H -6.201 -5.716 -1.829 1.00 . A A . 65 CYS HB3 1 1 8 3149 1 1 8 CYS N N -4.272 -6.734 -0.337 1.00 . A A . 65 CYS N 1 1 8 3150 1 1 8 CYS O O -3.478 -8.020 -3.651 1.00 . A A . 65 CYS O 1 1 8 3151 1 1 8 CYS SG S -4.433 -4.583 -2.927 1.00 . A A . 65 CYS SG 1 1 8 3152 1 1 9 GLY C C -0.198 -7.222 -3.370 1.00 . A A . 66 GLY C 1 1 8 3153 1 1 9 GLY CA C -0.994 -8.136 -2.457 1.00 . A A . 66 GLY CA 1 1 8 3154 1 1 9 GLY H H -2.126 -7.080 -1.010 1.00 . A A . 66 GLY H 1 1 8 3155 1 1 9 GLY HA2 H -0.349 -8.455 -1.650 1.00 . A A . 66 GLY HA2 1 1 8 3156 1 1 9 GLY HA3 H -1.295 -9.009 -3.022 1.00 . A A . 66 GLY HA3 1 1 8 3157 1 1 9 GLY N N -2.188 -7.531 -1.880 1.00 . A A . 66 GLY N 1 1 8 3158 1 1 9 GLY O O 0.666 -7.691 -4.108 1.00 . A A . 66 GLY O 1 1 8 3159 1 1 10 LYS C C 1.385 -4.291 -3.412 1.00 . A A . 67 LYS C 1 1 8 3160 1 1 10 LYS CA C 0.277 -4.997 -4.184 1.00 . A A . 67 LYS CA 1 1 8 3161 1 1 10 LYS CB C -0.656 -3.974 -4.826 1.00 . A A . 67 LYS CB 1 1 8 3162 1 1 10 LYS CD C -1.177 -5.584 -6.693 1.00 . A A . 67 LYS CD 1 1 8 3163 1 1 10 LYS CE C -0.279 -4.901 -7.712 1.00 . A A . 67 LYS CE 1 1 8 3164 1 1 10 LYS CG C -1.746 -4.597 -5.683 1.00 . A A . 67 LYS CG 1 1 8 3165 1 1 10 LYS H H -1.162 -5.591 -2.736 1.00 . A A . 67 LYS H 1 1 8 3166 1 1 10 LYS HA H 0.734 -5.581 -4.967 1.00 . A A . 67 LYS HA 1 1 8 3167 1 1 10 LYS HB2 H -1.129 -3.394 -4.047 1.00 . A A . 67 LYS HB2 1 1 8 3168 1 1 10 LYS HB3 H -0.071 -3.313 -5.449 1.00 . A A . 67 LYS HB3 1 1 8 3169 1 1 10 LYS HD2 H -0.599 -6.328 -6.164 1.00 . A A . 67 LYS HD2 1 1 8 3170 1 1 10 LYS HD3 H -1.995 -6.065 -7.211 1.00 . A A . 67 LYS HD3 1 1 8 3171 1 1 10 LYS HE2 H -0.881 -4.244 -8.322 1.00 . A A . 67 LYS HE2 1 1 8 3172 1 1 10 LYS HE3 H 0.465 -4.320 -7.187 1.00 . A A . 67 LYS HE3 1 1 8 3173 1 1 10 LYS HG2 H -2.441 -5.114 -5.042 1.00 . A A . 67 LYS HG2 1 1 8 3174 1 1 10 LYS HG3 H -2.259 -3.809 -6.214 1.00 . A A . 67 LYS HG3 1 1 8 3175 1 1 10 LYS HZ1 H 0.935 -5.394 -9.345 1.00 . A A . 67 LYS HZ1 1 1 8 3176 1 1 10 LYS HZ2 H -0.292 -6.525 -9.027 1.00 . A A . 67 LYS HZ2 1 1 8 3177 1 1 10 LYS HZ3 H 1.074 -6.459 -8.030 1.00 . A A . 67 LYS HZ3 1 1 8 3178 1 1 10 LYS N N -0.462 -5.926 -3.331 1.00 . A A . 67 LYS N 1 1 8 3179 1 1 10 LYS NZ N 0.406 -5.885 -8.589 1.00 . A A . 67 LYS NZ 1 1 8 3180 1 1 10 LYS O O 1.227 -3.953 -2.237 1.00 . A A . 67 LYS O 1 1 8 3181 1 1 11 ARG C C 3.821 -2.019 -3.634 1.00 . A A . 68 ARG C 1 1 8 3182 1 1 11 ARG CA C 3.696 -3.522 -3.474 1.00 . A A . 68 ARG CA 1 1 8 3183 1 1 11 ARG CB C 4.925 -4.151 -4.095 1.00 . A A . 68 ARG CB 1 1 8 3184 1 1 11 ARG CD C 6.301 -6.180 -4.438 1.00 . A A . 68 ARG CD 1 1 8 3185 1 1 11 ARG CG C 5.019 -5.627 -3.855 1.00 . A A . 68 ARG CG 1 1 8 3186 1 1 11 ARG CZ C 7.326 -8.389 -4.787 1.00 . A A . 68 ARG CZ 1 1 8 3187 1 1 11 ARG H H 2.542 -4.329 -5.037 1.00 . A A . 68 ARG H 1 1 8 3188 1 1 11 ARG HA H 3.677 -3.766 -2.426 1.00 . A A . 68 ARG HA 1 1 8 3189 1 1 11 ARG HB2 H 4.907 -3.978 -5.160 1.00 . A A . 68 ARG HB2 1 1 8 3190 1 1 11 ARG HB3 H 5.799 -3.687 -3.672 1.00 . A A . 68 ARG HB3 1 1 8 3191 1 1 11 ARG HD2 H 6.268 -6.069 -5.512 1.00 . A A . 68 ARG HD2 1 1 8 3192 1 1 11 ARG HD3 H 7.127 -5.608 -4.046 1.00 . A A . 68 ARG HD3 1 1 8 3193 1 1 11 ARG HE H 6.006 -7.954 -3.342 1.00 . A A . 68 ARG HE 1 1 8 3194 1 1 11 ARG HG2 H 4.999 -5.793 -2.792 1.00 . A A . 68 ARG HG2 1 1 8 3195 1 1 11 ARG HG3 H 4.176 -6.112 -4.323 1.00 . A A . 68 ARG HG3 1 1 8 3196 1 1 11 ARG HH11 H 7.780 -6.999 -6.201 1.00 . A A . 68 ARG HH11 1 1 8 3197 1 1 11 ARG HH12 H 8.575 -8.535 -6.380 1.00 . A A . 68 ARG HH12 1 1 8 3198 1 1 11 ARG HH21 H 7.037 -9.988 -3.573 1.00 . A A . 68 ARG HH21 1 1 8 3199 1 1 11 ARG HH22 H 8.145 -10.244 -4.890 1.00 . A A . 68 ARG HH22 1 1 8 3200 1 1 11 ARG N N 2.504 -4.078 -4.089 1.00 . A A . 68 ARG N 1 1 8 3201 1 1 11 ARG NE N 6.501 -7.589 -4.116 1.00 . A A . 68 ARG NE 1 1 8 3202 1 1 11 ARG NH1 N 7.942 -7.941 -5.875 1.00 . A A . 68 ARG NH1 1 1 8 3203 1 1 11 ARG NH2 N 7.516 -9.639 -4.384 1.00 . A A . 68 ARG NH2 1 1 8 3204 1 1 11 ARG O O 3.296 -1.426 -4.577 1.00 . A A . 68 ARG O 1 1 8 3205 1 1 12 PHE C C 6.297 0.131 -2.056 1.00 . A A . 69 PHE C 1 1 8 3206 1 1 12 PHE CA C 4.970 -0.035 -2.755 1.00 . A A . 69 PHE CA 1 1 8 3207 1 1 12 PHE CB C 3.926 0.863 -2.095 1.00 . A A . 69 PHE CB 1 1 8 3208 1 1 12 PHE CD1 C 3.012 2.469 -3.782 1.00 . A A . 69 PHE CD1 1 1 8 3209 1 1 12 PHE CD2 C 1.678 0.593 -3.174 1.00 . A A . 69 PHE CD2 1 1 8 3210 1 1 12 PHE CE1 C 2.027 2.893 -4.652 1.00 . A A . 69 PHE CE1 1 1 8 3211 1 1 12 PHE CE2 C 0.692 1.012 -4.045 1.00 . A A . 69 PHE CE2 1 1 8 3212 1 1 12 PHE CG C 2.847 1.317 -3.033 1.00 . A A . 69 PHE CG 1 1 8 3213 1 1 12 PHE CZ C 0.865 2.164 -4.783 1.00 . A A . 69 PHE CZ 1 1 8 3214 1 1 12 PHE H H 4.916 -1.991 -1.977 1.00 . A A . 69 PHE H 1 1 8 3215 1 1 12 PHE HA H 5.092 0.265 -3.785 1.00 . A A . 69 PHE HA 1 1 8 3216 1 1 12 PHE HB2 H 3.463 0.324 -1.288 1.00 . A A . 69 PHE HB2 1 1 8 3217 1 1 12 PHE HB3 H 4.419 1.745 -1.700 1.00 . A A . 69 PHE HB3 1 1 8 3218 1 1 12 PHE HD1 H 3.921 3.042 -3.679 1.00 . A A . 69 PHE HD1 1 1 8 3219 1 1 12 PHE HD2 H 1.542 -0.309 -2.596 1.00 . A A . 69 PHE HD2 1 1 8 3220 1 1 12 PHE HE1 H 2.168 3.794 -5.229 1.00 . A A . 69 PHE HE1 1 1 8 3221 1 1 12 PHE HE2 H -0.219 0.438 -4.144 1.00 . A A . 69 PHE HE2 1 1 8 3222 1 1 12 PHE HZ H 0.092 2.492 -5.463 1.00 . A A . 69 PHE HZ 1 1 8 3223 1 1 12 PHE N N 4.582 -1.438 -2.719 1.00 . A A . 69 PHE N 1 1 8 3224 1 1 12 PHE O O 6.579 -0.517 -1.057 1.00 . A A . 69 PHE O 1 1 8 3225 1 1 13 VAL C C 8.331 2.294 -0.959 1.00 . A A . 70 VAL C 1 1 8 3226 1 1 13 VAL CA C 8.421 1.258 -2.071 1.00 . A A . 70 VAL CA 1 1 8 3227 1 1 13 VAL CB C 9.362 1.729 -3.202 1.00 . A A . 70 VAL CB 1 1 8 3228 1 1 13 VAL CG1 C 10.465 2.613 -2.671 1.00 . A A . 70 VAL CG1 1 1 8 3229 1 1 13 VAL CG2 C 9.946 0.531 -3.932 1.00 . A A . 70 VAL CG2 1 1 8 3230 1 1 13 VAL H H 6.828 1.476 -3.400 1.00 . A A . 70 VAL H 1 1 8 3231 1 1 13 VAL HA H 8.812 0.338 -1.664 1.00 . A A . 70 VAL HA 1 1 8 3232 1 1 13 VAL HB H 8.783 2.304 -3.910 1.00 . A A . 70 VAL HB 1 1 8 3233 1 1 13 VAL HG11 H 10.020 3.467 -2.184 1.00 . A A . 70 VAL HG11 1 1 8 3234 1 1 13 VAL HG12 H 11.082 2.944 -3.491 1.00 . A A . 70 VAL HG12 1 1 8 3235 1 1 13 VAL HG13 H 11.060 2.058 -1.964 1.00 . A A . 70 VAL HG13 1 1 8 3236 1 1 13 VAL HG21 H 10.514 -0.070 -3.238 1.00 . A A . 70 VAL HG21 1 1 8 3237 1 1 13 VAL HG22 H 10.592 0.872 -4.726 1.00 . A A . 70 VAL HG22 1 1 8 3238 1 1 13 VAL HG23 H 9.146 -0.061 -4.349 1.00 . A A . 70 VAL HG23 1 1 8 3239 1 1 13 VAL N N 7.114 0.993 -2.608 1.00 . A A . 70 VAL N 1 1 8 3240 1 1 13 VAL O O 9.086 2.251 0.013 1.00 . A A . 70 VAL O 1 1 8 3241 1 1 14 GLN C C 6.152 3.860 0.870 1.00 . A A . 71 GLN C 1 1 8 3242 1 1 14 GLN CA C 7.210 4.260 -0.142 1.00 . A A . 71 GLN CA 1 1 8 3243 1 1 14 GLN CB C 6.766 5.485 -0.911 1.00 . A A . 71 GLN CB 1 1 8 3244 1 1 14 GLN CD C 8.926 6.317 -1.998 1.00 . A A . 71 GLN CD 1 1 8 3245 1 1 14 GLN CG C 7.546 5.708 -2.199 1.00 . A A . 71 GLN CG 1 1 8 3246 1 1 14 GLN H H 6.777 3.191 -1.857 1.00 . A A . 71 GLN H 1 1 8 3247 1 1 14 GLN HA H 8.147 4.451 0.351 1.00 . A A . 71 GLN HA 1 1 8 3248 1 1 14 GLN HB2 H 5.719 5.382 -1.163 1.00 . A A . 71 GLN HB2 1 1 8 3249 1 1 14 GLN HB3 H 6.896 6.339 -0.289 1.00 . A A . 71 GLN HB3 1 1 8 3250 1 1 14 GLN HE21 H 9.141 5.412 -0.244 1.00 . A A . 71 GLN HE21 1 1 8 3251 1 1 14 GLN HE22 H 10.468 6.400 -0.750 1.00 . A A . 71 GLN HE22 1 1 8 3252 1 1 14 GLN HG2 H 7.671 4.755 -2.687 1.00 . A A . 71 GLN HG2 1 1 8 3253 1 1 14 GLN HG3 H 6.972 6.354 -2.838 1.00 . A A . 71 GLN HG3 1 1 8 3254 1 1 14 GLN N N 7.384 3.211 -1.092 1.00 . A A . 71 GLN N 1 1 8 3255 1 1 14 GLN NE2 N 9.573 6.010 -0.886 1.00 . A A . 71 GLN NE2 1 1 8 3256 1 1 14 GLN O O 5.067 3.416 0.492 1.00 . A A . 71 GLN O 1 1 8 3257 1 1 14 GLN OE1 O 9.413 7.055 -2.851 1.00 . A A . 71 GLN OE1 1 1 8 3258 1 1 15 SER C C 4.296 4.597 3.102 1.00 . A A . 72 SER C 1 1 8 3259 1 1 15 SER CA C 5.523 3.701 3.207 1.00 . A A . 72 SER CA 1 1 8 3260 1 1 15 SER CB C 6.192 3.858 4.573 1.00 . A A . 72 SER CB 1 1 8 3261 1 1 15 SER H H 7.353 4.369 2.388 1.00 . A A . 72 SER H 1 1 8 3262 1 1 15 SER HA H 5.214 2.674 3.082 1.00 . A A . 72 SER HA 1 1 8 3263 1 1 15 SER HB2 H 5.438 3.830 5.346 1.00 . A A . 72 SER HB2 1 1 8 3264 1 1 15 SER HB3 H 6.890 3.049 4.724 1.00 . A A . 72 SER HB3 1 1 8 3265 1 1 15 SER HG H 6.472 5.643 5.341 1.00 . A A . 72 SER HG 1 1 8 3266 1 1 15 SER N N 6.467 4.017 2.148 1.00 . A A . 72 SER N 1 1 8 3267 1 1 15 SER O O 3.175 4.174 3.386 1.00 . A A . 72 SER O 1 1 8 3268 1 1 15 SER OG O 6.890 5.088 4.664 1.00 . A A . 72 SER OG 1 1 8 3269 1 1 16 SER C C 2.523 6.282 1.317 1.00 . A A . 73 SER C 1 1 8 3270 1 1 16 SER CA C 3.425 6.762 2.449 1.00 . A A . 73 SER CA 1 1 8 3271 1 1 16 SER CB C 3.977 8.154 2.148 1.00 . A A . 73 SER CB 1 1 8 3272 1 1 16 SER H H 5.439 6.120 2.474 1.00 . A A . 73 SER H 1 1 8 3273 1 1 16 SER HA H 2.846 6.803 3.358 1.00 . A A . 73 SER HA 1 1 8 3274 1 1 16 SER HB2 H 3.181 8.782 1.777 1.00 . A A . 73 SER HB2 1 1 8 3275 1 1 16 SER HB3 H 4.380 8.581 3.052 1.00 . A A . 73 SER HB3 1 1 8 3276 1 1 16 SER HG H 4.859 8.784 0.504 1.00 . A A . 73 SER HG 1 1 8 3277 1 1 16 SER N N 4.516 5.829 2.661 1.00 . A A . 73 SER N 1 1 8 3278 1 1 16 SER O O 1.303 6.293 1.446 1.00 . A A . 73 SER O 1 1 8 3279 1 1 16 SER OG O 5.007 8.093 1.173 1.00 . A A . 73 SER OG 1 1 8 3280 1 1 17 GLN C C 1.755 4.006 -0.665 1.00 . A A . 74 GLN C 1 1 8 3281 1 1 17 GLN CA C 2.371 5.368 -0.930 1.00 . A A . 74 GLN CA 1 1 8 3282 1 1 17 GLN CB C 3.263 5.330 -2.171 1.00 . A A . 74 GLN CB 1 1 8 3283 1 1 17 GLN CD C 2.386 7.439 -3.252 1.00 . A A . 74 GLN CD 1 1 8 3284 1 1 17 GLN CG C 3.602 6.711 -2.710 1.00 . A A . 74 GLN CG 1 1 8 3285 1 1 17 GLN H H 4.102 5.720 0.219 1.00 . A A . 74 GLN H 1 1 8 3286 1 1 17 GLN HA H 1.575 6.081 -1.092 1.00 . A A . 74 GLN HA 1 1 8 3287 1 1 17 GLN HB2 H 4.187 4.825 -1.923 1.00 . A A . 74 GLN HB2 1 1 8 3288 1 1 17 GLN HB3 H 2.753 4.777 -2.950 1.00 . A A . 74 GLN HB3 1 1 8 3289 1 1 17 GLN HE21 H 1.582 5.725 -3.853 1.00 . A A . 74 GLN HE21 1 1 8 3290 1 1 17 GLN HE22 H 0.647 7.143 -4.165 1.00 . A A . 74 GLN HE22 1 1 8 3291 1 1 17 GLN HG2 H 4.028 7.299 -1.911 1.00 . A A . 74 GLN HG2 1 1 8 3292 1 1 17 GLN HG3 H 4.327 6.606 -3.504 1.00 . A A . 74 GLN HG3 1 1 8 3293 1 1 17 GLN N N 3.127 5.807 0.231 1.00 . A A . 74 GLN N 1 1 8 3294 1 1 17 GLN NE2 N 1.445 6.694 -3.814 1.00 . A A . 74 GLN NE2 1 1 8 3295 1 1 17 GLN O O 0.774 3.623 -1.294 1.00 . A A . 74 GLN O 1 1 8 3296 1 1 17 GLN OE1 O 2.298 8.665 -3.184 1.00 . A A . 74 GLN OE1 1 1 8 3297 1 1 18 LEU C C 0.445 2.300 1.419 1.00 . A A . 75 LEU C 1 1 8 3298 1 1 18 LEU CA C 1.778 2.037 0.747 1.00 . A A . 75 LEU CA 1 1 8 3299 1 1 18 LEU CB C 2.756 1.363 1.719 1.00 . A A . 75 LEU CB 1 1 8 3300 1 1 18 LEU CD1 C 1.630 -0.845 1.749 1.00 . A A . 75 LEU CD1 1 1 8 3301 1 1 18 LEU CD2 C 3.172 -0.238 3.605 1.00 . A A . 75 LEU CD2 1 1 8 3302 1 1 18 LEU CG C 2.151 0.278 2.606 1.00 . A A . 75 LEU CG 1 1 8 3303 1 1 18 LEU H H 3.190 3.595 0.657 1.00 . A A . 75 LEU H 1 1 8 3304 1 1 18 LEU HA H 1.612 1.402 -0.108 1.00 . A A . 75 LEU HA 1 1 8 3305 1 1 18 LEU HB2 H 3.555 0.914 1.137 1.00 . A A . 75 LEU HB2 1 1 8 3306 1 1 18 LEU HB3 H 3.178 2.127 2.359 1.00 . A A . 75 LEU HB3 1 1 8 3307 1 1 18 LEU HD11 H 1.173 -1.594 2.372 1.00 . A A . 75 LEU HD11 1 1 8 3308 1 1 18 LEU HD12 H 2.452 -1.278 1.199 1.00 . A A . 75 LEU HD12 1 1 8 3309 1 1 18 LEU HD13 H 0.901 -0.445 1.059 1.00 . A A . 75 LEU HD13 1 1 8 3310 1 1 18 LEU HD21 H 2.712 -0.980 4.241 1.00 . A A . 75 LEU HD21 1 1 8 3311 1 1 18 LEU HD22 H 3.533 0.583 4.208 1.00 . A A . 75 LEU HD22 1 1 8 3312 1 1 18 LEU HD23 H 3.998 -0.687 3.072 1.00 . A A . 75 LEU HD23 1 1 8 3313 1 1 18 LEU HG H 1.319 0.694 3.157 1.00 . A A . 75 LEU HG 1 1 8 3314 1 1 18 LEU N N 2.342 3.286 0.276 1.00 . A A . 75 LEU N 1 1 8 3315 1 1 18 LEU O O -0.572 1.711 1.063 1.00 . A A . 75 LEU O 1 1 8 3316 1 1 19 ALA C C -1.642 4.404 2.090 1.00 . A A . 76 ALA C 1 1 8 3317 1 1 19 ALA CA C -0.766 3.613 3.045 1.00 . A A . 76 ALA CA 1 1 8 3318 1 1 19 ALA CB C -0.456 4.423 4.292 1.00 . A A . 76 ALA CB 1 1 8 3319 1 1 19 ALA H H 1.317 3.548 2.687 1.00 . A A . 76 ALA H 1 1 8 3320 1 1 19 ALA HA H -1.312 2.722 3.340 1.00 . A A . 76 ALA HA 1 1 8 3321 1 1 19 ALA HB1 H 0.159 3.837 4.959 1.00 . A A . 76 ALA HB1 1 1 8 3322 1 1 19 ALA HB2 H -1.377 4.686 4.791 1.00 . A A . 76 ALA HB2 1 1 8 3323 1 1 19 ALA HB3 H 0.073 5.323 4.014 1.00 . A A . 76 ALA HB3 1 1 8 3324 1 1 19 ALA N N 0.459 3.189 2.389 1.00 . A A . 76 ALA N 1 1 8 3325 1 1 19 ALA O O -2.854 4.437 2.250 1.00 . A A . 76 ALA O 1 1 8 3326 1 1 20 ASN C C -2.579 4.616 -0.737 1.00 . A A . 77 ASN C 1 1 8 3327 1 1 20 ASN CA C -1.801 5.682 0.029 1.00 . A A . 77 ASN CA 1 1 8 3328 1 1 20 ASN CB C -0.886 6.445 -0.932 1.00 . A A . 77 ASN CB 1 1 8 3329 1 1 20 ASN CG C -1.655 7.320 -1.909 1.00 . A A . 77 ASN CG 1 1 8 3330 1 1 20 ASN H H -0.040 5.088 1.077 1.00 . A A . 77 ASN H 1 1 8 3331 1 1 20 ASN HA H -2.499 6.368 0.488 1.00 . A A . 77 ASN HA 1 1 8 3332 1 1 20 ASN HB2 H -0.223 7.077 -0.359 1.00 . A A . 77 ASN HB2 1 1 8 3333 1 1 20 ASN HB3 H -0.297 5.737 -1.498 1.00 . A A . 77 ASN HB3 1 1 8 3334 1 1 20 ASN HD21 H -2.784 8.031 -0.427 1.00 . A A . 77 ASN HD21 1 1 8 3335 1 1 20 ASN HD22 H -3.120 8.664 -2.019 1.00 . A A . 77 ASN HD22 1 1 8 3336 1 1 20 ASN N N -1.031 5.036 1.090 1.00 . A A . 77 ASN N 1 1 8 3337 1 1 20 ASN ND2 N -2.617 8.075 -1.404 1.00 . A A . 77 ASN ND2 1 1 8 3338 1 1 20 ASN O O -3.715 4.829 -1.161 1.00 . A A . 77 ASN O 1 1 8 3339 1 1 20 ASN OD1 O -1.360 7.341 -3.103 1.00 . A A . 77 ASN OD1 1 1 8 3340 1 1 21 HIS C C -3.735 1.786 -0.652 1.00 . A A . 78 HIS C 1 1 8 3341 1 1 21 HIS CA C -2.583 2.308 -1.515 1.00 . A A . 78 HIS CA 1 1 8 3342 1 1 21 HIS CB C -1.519 1.233 -1.724 1.00 . A A . 78 HIS CB 1 1 8 3343 1 1 21 HIS CD2 C -2.374 -1.154 -1.408 1.00 . A A . 78 HIS CD2 1 1 8 3344 1 1 21 HIS CE1 C -2.641 -1.732 -3.474 1.00 . A A . 78 HIS CE1 1 1 8 3345 1 1 21 HIS CG C -2.032 -0.093 -2.157 1.00 . A A . 78 HIS CG 1 1 8 3346 1 1 21 HIS H H -1.016 3.368 -0.580 1.00 . A A . 78 HIS H 1 1 8 3347 1 1 21 HIS HA H -2.972 2.615 -2.474 1.00 . A A . 78 HIS HA 1 1 8 3348 1 1 21 HIS HB2 H -0.826 1.570 -2.476 1.00 . A A . 78 HIS HB2 1 1 8 3349 1 1 21 HIS HB3 H -0.987 1.091 -0.791 1.00 . A A . 78 HIS HB3 1 1 8 3350 1 1 21 HIS HD1 H -2.045 0.089 -4.259 1.00 . A A . 78 HIS HD1 1 1 8 3351 1 1 21 HIS HD2 H -2.355 -1.192 -0.330 1.00 . A A . 78 HIS HD2 1 1 8 3352 1 1 21 HIS HE1 H -2.867 -2.296 -4.365 1.00 . A A . 78 HIS HE1 1 1 8 3353 1 1 21 HIS N N -1.952 3.456 -0.892 1.00 . A A . 78 HIS N 1 1 8 3354 1 1 21 HIS ND1 N -2.208 -0.471 -3.469 1.00 . A A . 78 HIS ND1 1 1 8 3355 1 1 21 HIS NE2 N -2.761 -2.201 -2.240 1.00 . A A . 78 HIS NE2 1 1 8 3356 1 1 21 HIS O O -4.798 1.428 -1.163 1.00 . A A . 78 HIS O 1 1 8 3357 1 1 22 ILE C C -5.651 2.379 1.645 1.00 . A A . 79 ILE C 1 1 8 3358 1 1 22 ILE CA C -4.542 1.333 1.605 1.00 . A A . 79 ILE CA 1 1 8 3359 1 1 22 ILE CB C -3.959 1.177 3.028 1.00 . A A . 79 ILE CB 1 1 8 3360 1 1 22 ILE CD1 C -2.643 -0.927 2.427 1.00 . A A . 79 ILE CD1 1 1 8 3361 1 1 22 ILE CG1 C -2.601 0.471 2.991 1.00 . A A . 79 ILE CG1 1 1 8 3362 1 1 22 ILE CG2 C -4.925 0.414 3.917 1.00 . A A . 79 ILE CG2 1 1 8 3363 1 1 22 ILE H H -2.627 1.988 1.001 1.00 . A A . 79 ILE H 1 1 8 3364 1 1 22 ILE HA H -4.954 0.377 1.286 1.00 . A A . 79 ILE HA 1 1 8 3365 1 1 22 ILE HB H -3.831 2.163 3.444 1.00 . A A . 79 ILE HB 1 1 8 3366 1 1 22 ILE HD11 H -3.274 -1.543 3.045 1.00 . A A . 79 ILE HD11 1 1 8 3367 1 1 22 ILE HD12 H -1.644 -1.335 2.408 1.00 . A A . 79 ILE HD12 1 1 8 3368 1 1 22 ILE HD13 H -3.041 -0.895 1.424 1.00 . A A . 79 ILE HD13 1 1 8 3369 1 1 22 ILE HG12 H -1.922 1.047 2.378 1.00 . A A . 79 ILE HG12 1 1 8 3370 1 1 22 ILE HG13 H -2.208 0.409 3.999 1.00 . A A . 79 ILE HG13 1 1 8 3371 1 1 22 ILE HG21 H -4.500 0.310 4.903 1.00 . A A . 79 ILE HG21 1 1 8 3372 1 1 22 ILE HG22 H -5.101 -0.563 3.493 1.00 . A A . 79 ILE HG22 1 1 8 3373 1 1 22 ILE HG23 H -5.857 0.953 3.980 1.00 . A A . 79 ILE HG23 1 1 8 3374 1 1 22 ILE N N -3.513 1.742 0.658 1.00 . A A . 79 ILE N 1 1 8 3375 1 1 22 ILE O O -6.824 2.055 1.792 1.00 . A A . 79 ILE O 1 1 8 3376 1 1 23 ARG C C -7.163 4.596 0.280 1.00 . A A . 80 ARG C 1 1 8 3377 1 1 23 ARG CA C -6.185 4.746 1.443 1.00 . A A . 80 ARG CA 1 1 8 3378 1 1 23 ARG CB C -5.384 6.028 1.291 1.00 . A A . 80 ARG CB 1 1 8 3379 1 1 23 ARG CD C -6.267 7.385 3.199 1.00 . A A . 80 ARG CD 1 1 8 3380 1 1 23 ARG CG C -5.050 6.697 2.610 1.00 . A A . 80 ARG CG 1 1 8 3381 1 1 23 ARG CZ C -8.114 8.388 1.910 1.00 . A A . 80 ARG CZ 1 1 8 3382 1 1 23 ARG H H -4.293 3.847 1.511 1.00 . A A . 80 ARG H 1 1 8 3383 1 1 23 ARG HA H -6.739 4.786 2.367 1.00 . A A . 80 ARG HA 1 1 8 3384 1 1 23 ARG HB2 H -4.455 5.797 0.788 1.00 . A A . 80 ARG HB2 1 1 8 3385 1 1 23 ARG HB3 H -5.941 6.708 0.691 1.00 . A A . 80 ARG HB3 1 1 8 3386 1 1 23 ARG HD2 H -7.016 6.638 3.415 1.00 . A A . 80 ARG HD2 1 1 8 3387 1 1 23 ARG HD3 H -5.979 7.882 4.114 1.00 . A A . 80 ARG HD3 1 1 8 3388 1 1 23 ARG HE H -6.229 9.054 1.916 1.00 . A A . 80 ARG HE 1 1 8 3389 1 1 23 ARG HG2 H -4.702 5.946 3.304 1.00 . A A . 80 ARG HG2 1 1 8 3390 1 1 23 ARG HG3 H -4.273 7.425 2.444 1.00 . A A . 80 ARG HG3 1 1 8 3391 1 1 23 ARG HH11 H -8.650 6.783 3.024 1.00 . A A . 80 ARG HH11 1 1 8 3392 1 1 23 ARG HH12 H -9.925 7.487 2.089 1.00 . A A . 80 ARG HH12 1 1 8 3393 1 1 23 ARG HH21 H -7.904 10.006 0.710 1.00 . A A . 80 ARG HH21 1 1 8 3394 1 1 23 ARG HH22 H -9.511 9.336 0.785 1.00 . A A . 80 ARG HH22 1 1 8 3395 1 1 23 ARG N N -5.258 3.640 1.521 1.00 . A A . 80 ARG N 1 1 8 3396 1 1 23 ARG NE N -6.836 8.371 2.282 1.00 . A A . 80 ARG NE 1 1 8 3397 1 1 23 ARG NH1 N -8.963 7.483 2.386 1.00 . A A . 80 ARG NH1 1 1 8 3398 1 1 23 ARG NH2 N -8.542 9.318 1.071 1.00 . A A . 80 ARG NH2 1 1 8 3399 1 1 23 ARG O O -8.334 4.962 0.396 1.00 . A A . 80 ARG O 1 1 8 3400 1 1 24 HIS C C -8.358 2.581 -1.889 1.00 . A A . 81 HIS C 1 1 8 3401 1 1 24 HIS CA C -7.532 3.866 -2.013 1.00 . A A . 81 HIS CA 1 1 8 3402 1 1 24 HIS CB C -6.696 3.856 -3.301 1.00 . A A . 81 HIS CB 1 1 8 3403 1 1 24 HIS CD2 C -8.684 4.597 -4.799 1.00 . A A . 81 HIS CD2 1 1 8 3404 1 1 24 HIS CE1 C -8.091 3.582 -6.646 1.00 . A A . 81 HIS CE1 1 1 8 3405 1 1 24 HIS CG C -7.521 3.949 -4.551 1.00 . A A . 81 HIS CG 1 1 8 3406 1 1 24 HIS H H -5.743 3.778 -0.874 1.00 . A A . 81 HIS H 1 1 8 3407 1 1 24 HIS HA H -8.215 4.702 -2.052 1.00 . A A . 81 HIS HA 1 1 8 3408 1 1 24 HIS HB2 H -6.017 4.694 -3.288 1.00 . A A . 81 HIS HB2 1 1 8 3409 1 1 24 HIS HB3 H -6.126 2.939 -3.344 1.00 . A A . 81 HIS HB3 1 1 8 3410 1 1 24 HIS HD1 H -6.366 2.775 -5.874 1.00 . A A . 81 HIS HD1 1 1 8 3411 1 1 24 HIS HD2 H -9.242 5.196 -4.094 1.00 . A A . 81 HIS HD2 1 1 8 3412 1 1 24 HIS HE1 H -8.083 3.221 -7.666 1.00 . A A . 81 HIS HE1 1 1 8 3413 1 1 24 HIS HE2 H -9.913 4.520 -6.499 1.00 . A A . 81 HIS HE2 1 1 8 3414 1 1 24 HIS N N -6.684 4.051 -0.837 1.00 . A A . 81 HIS N 1 1 8 3415 1 1 24 HIS ND1 N -7.176 3.324 -5.729 1.00 . A A . 81 HIS ND1 1 1 8 3416 1 1 24 HIS NE2 N -9.019 4.353 -6.107 1.00 . A A . 81 HIS NE2 1 1 8 3417 1 1 24 HIS O O -9.095 2.208 -2.801 1.00 . A A . 81 HIS O 1 1 8 3418 1 1 25 HIS C C -10.445 1.292 0.044 1.00 . A A . 82 HIS C 1 1 8 3419 1 1 25 HIS CA C -9.094 0.776 -0.435 1.00 . A A . 82 HIS CA 1 1 8 3420 1 1 25 HIS CB C -8.447 -0.107 0.635 1.00 . A A . 82 HIS CB 1 1 8 3421 1 1 25 HIS CD2 C -6.453 -1.719 0.375 1.00 . A A . 82 HIS CD2 1 1 8 3422 1 1 25 HIS CE1 C -7.277 -3.096 -1.071 1.00 . A A . 82 HIS CE1 1 1 8 3423 1 1 25 HIS CG C -7.702 -1.283 0.094 1.00 . A A . 82 HIS CG 1 1 8 3424 1 1 25 HIS H H -7.560 2.196 -0.098 1.00 . A A . 82 HIS H 1 1 8 3425 1 1 25 HIS HA H -9.235 0.199 -1.337 1.00 . A A . 82 HIS HA 1 1 8 3426 1 1 25 HIS HB2 H -7.745 0.490 1.195 1.00 . A A . 82 HIS HB2 1 1 8 3427 1 1 25 HIS HB3 H -9.201 -0.471 1.307 1.00 . A A . 82 HIS HB3 1 1 8 3428 1 1 25 HIS HD1 H -9.109 -2.121 -1.253 1.00 . A A . 82 HIS HD1 1 1 8 3429 1 1 25 HIS HD2 H -5.755 -1.249 1.057 1.00 . A A . 82 HIS HD2 1 1 8 3430 1 1 25 HIS HE1 H -7.395 -3.924 -1.755 1.00 . A A . 82 HIS HE1 1 1 8 3431 1 1 25 HIS N N -8.235 1.911 -0.751 1.00 . A A . 82 HIS N 1 1 8 3432 1 1 25 HIS ND1 N -8.214 -2.168 -0.831 1.00 . A A . 82 HIS ND1 1 1 8 3433 1 1 25 HIS NE2 N -6.190 -2.865 -0.364 1.00 . A A . 82 HIS NE2 1 1 8 3434 1 1 25 HIS O O -10.844 1.078 1.192 1.00 . A A . 82 HIS O 1 1 8 3435 1 1 26 ASP C C -13.557 1.741 -0.734 1.00 . A A . 83 ASP C 1 1 8 3436 1 1 26 ASP CA C -12.369 2.668 -0.522 1.00 . A A . 83 ASP CA 1 1 8 3437 1 1 26 ASP CB C -12.517 3.921 -1.388 1.00 . A A . 83 ASP CB 1 1 8 3438 1 1 26 ASP CG C -13.544 4.895 -0.846 1.00 . A A . 83 ASP CG 1 1 8 3439 1 1 26 ASP H H -10.788 2.038 -1.769 1.00 . A A . 83 ASP H 1 1 8 3440 1 1 26 ASP HA H -12.328 2.957 0.517 1.00 . A A . 83 ASP HA 1 1 8 3441 1 1 26 ASP HB2 H -11.563 4.430 -1.440 1.00 . A A . 83 ASP HB2 1 1 8 3442 1 1 26 ASP HB3 H -12.820 3.626 -2.386 1.00 . A A . 83 ASP HB3 1 1 8 3443 1 1 26 ASP N N -11.129 1.986 -0.850 1.00 . A A . 83 ASP N 1 1 8 3444 1 1 26 ASP O O -14.083 1.212 0.264 1.00 . A A . 83 ASP O 1 1 8 3445 1 1 26 ASP OXT O -13.950 1.532 -1.900 1.00 . A A . 83 ASP OXT 1 1 8 3446 1 1 26 ASP OD1 O -14.752 4.710 -1.103 1.00 . A A . 83 ASP OD1 1 1 8 3447 1 1 26 ASP OD2 O -13.141 5.867 -0.177 1.00 . A A . 83 ASP OD2 1 1 8 3448 2 2 1 ZN ZN ZN -4.374 -3.084 -1.177 1.00 . B A . 101 ZN ZN 1 1 9 3449 1 1 1 LYS C C 9.480 -4.353 1.242 1.00 . A A . 58 LYS C 1 1 9 3450 1 1 1 LYS CA C 10.592 -3.829 0.346 1.00 . A A . 58 LYS CA 1 1 9 3451 1 1 1 LYS CB C 10.305 -2.371 -0.040 1.00 . A A . 58 LYS CB 1 1 9 3452 1 1 1 LYS CD C 12.740 -1.749 -0.113 1.00 . A A . 58 LYS CD 1 1 9 3453 1 1 1 LYS CE C 13.849 -1.120 -0.940 1.00 . A A . 58 LYS CE 1 1 9 3454 1 1 1 LYS CG C 11.412 -1.718 -0.851 1.00 . A A . 58 LYS CG 1 1 9 3455 1 1 1 LYS H1 H 9.826 -4.615 -1.427 1.00 . A A . 58 LYS H1 1 1 9 3456 1 1 1 LYS H2 H 10.853 -5.671 -0.593 1.00 . A A . 58 LYS H2 1 1 9 3457 1 1 1 LYS H3 H 11.505 -4.362 -1.453 1.00 . A A . 58 LYS H3 1 1 9 3458 1 1 1 LYS HA H 11.528 -3.881 0.884 1.00 . A A . 58 LYS HA 1 1 9 3459 1 1 1 LYS HB2 H 9.399 -2.340 -0.624 1.00 . A A . 58 LYS HB2 1 1 9 3460 1 1 1 LYS HB3 H 10.161 -1.794 0.864 1.00 . A A . 58 LYS HB3 1 1 9 3461 1 1 1 LYS HD2 H 12.640 -1.204 0.814 1.00 . A A . 58 LYS HD2 1 1 9 3462 1 1 1 LYS HD3 H 12.998 -2.776 0.094 1.00 . A A . 58 LYS HD3 1 1 9 3463 1 1 1 LYS HE2 H 13.836 -1.556 -1.928 1.00 . A A . 58 LYS HE2 1 1 9 3464 1 1 1 LYS HE3 H 13.669 -0.057 -1.014 1.00 . A A . 58 LYS HE3 1 1 9 3465 1 1 1 LYS HG2 H 11.522 -2.248 -1.786 1.00 . A A . 58 LYS HG2 1 1 9 3466 1 1 1 LYS HG3 H 11.142 -0.689 -1.046 1.00 . A A . 58 LYS HG3 1 1 9 3467 1 1 1 LYS HZ1 H 15.375 -2.365 -0.251 1.00 . A A . 58 LYS HZ1 1 1 9 3468 1 1 1 LYS HZ2 H 15.220 -0.923 0.627 1.00 . A A . 58 LYS HZ2 1 1 9 3469 1 1 1 LYS HZ3 H 15.929 -0.904 -0.919 1.00 . A A . 58 LYS HZ3 1 1 9 3470 1 1 1 LYS N N 10.702 -4.674 -0.867 1.00 . A A . 58 LYS N 1 1 9 3471 1 1 1 LYS NZ N 15.185 -1.343 -0.329 1.00 . A A . 58 LYS NZ 1 1 9 3472 1 1 1 LYS O O 8.561 -5.020 0.767 1.00 . A A . 58 LYS O 1 1 9 3473 1 1 2 PRO C C 7.221 -3.795 3.417 1.00 . A A . 59 PRO C 1 1 9 3474 1 1 2 PRO CA C 8.555 -4.524 3.531 1.00 . A A . 59 PRO CA 1 1 9 3475 1 1 2 PRO CB C 9.215 -4.205 4.869 1.00 . A A . 59 PRO CB 1 1 9 3476 1 1 2 PRO CD C 10.588 -3.225 3.196 1.00 . A A . 59 PRO CD 1 1 9 3477 1 1 2 PRO CG C 10.041 -3.008 4.580 1.00 . A A . 59 PRO CG 1 1 9 3478 1 1 2 PRO HA H 8.396 -5.586 3.450 1.00 . A A . 59 PRO HA 1 1 9 3479 1 1 2 PRO HB2 H 8.456 -3.995 5.612 1.00 . A A . 59 PRO HB2 1 1 9 3480 1 1 2 PRO HB3 H 9.825 -5.038 5.182 1.00 . A A . 59 PRO HB3 1 1 9 3481 1 1 2 PRO HD2 H 10.709 -2.282 2.683 1.00 . A A . 59 PRO HD2 1 1 9 3482 1 1 2 PRO HD3 H 11.526 -3.757 3.238 1.00 . A A . 59 PRO HD3 1 1 9 3483 1 1 2 PRO HG2 H 9.421 -2.126 4.609 1.00 . A A . 59 PRO HG2 1 1 9 3484 1 1 2 PRO HG3 H 10.846 -2.930 5.295 1.00 . A A . 59 PRO HG3 1 1 9 3485 1 1 2 PRO N N 9.542 -4.050 2.552 1.00 . A A . 59 PRO N 1 1 9 3486 1 1 2 PRO O O 6.347 -3.930 4.276 1.00 . A A . 59 PRO O 1 1 9 3487 1 1 3 TYR C C 5.001 -2.935 1.089 1.00 . A A . 60 TYR C 1 1 9 3488 1 1 3 TYR CA C 5.876 -2.247 2.120 1.00 . A A . 60 TYR CA 1 1 9 3489 1 1 3 TYR CB C 6.239 -0.841 1.646 1.00 . A A . 60 TYR CB 1 1 9 3490 1 1 3 TYR CD1 C 6.241 0.768 3.594 1.00 . A A . 60 TYR CD1 1 1 9 3491 1 1 3 TYR CD2 C 8.332 -0.034 2.780 1.00 . A A . 60 TYR CD2 1 1 9 3492 1 1 3 TYR CE1 C 6.896 1.514 4.553 1.00 . A A . 60 TYR CE1 1 1 9 3493 1 1 3 TYR CE2 C 8.993 0.707 3.736 1.00 . A A . 60 TYR CE2 1 1 9 3494 1 1 3 TYR CG C 6.948 -0.020 2.695 1.00 . A A . 60 TYR CG 1 1 9 3495 1 1 3 TYR CZ C 8.233 1.501 4.628 1.00 . A A . 60 TYR CZ 1 1 9 3496 1 1 3 TYR H H 7.807 -2.972 1.705 1.00 . A A . 60 TYR H 1 1 9 3497 1 1 3 TYR HA H 5.334 -2.176 3.052 1.00 . A A . 60 TYR HA 1 1 9 3498 1 1 3 TYR HB2 H 6.886 -0.914 0.785 1.00 . A A . 60 TYR HB2 1 1 9 3499 1 1 3 TYR HB3 H 5.336 -0.318 1.369 1.00 . A A . 60 TYR HB3 1 1 9 3500 1 1 3 TYR HD1 H 5.161 0.793 3.536 1.00 . A A . 60 TYR HD1 1 1 9 3501 1 1 3 TYR HD2 H 8.893 -0.645 2.086 1.00 . A A . 60 TYR HD2 1 1 9 3502 1 1 3 TYR HE1 H 6.330 2.119 5.247 1.00 . A A . 60 TYR HE1 1 1 9 3503 1 1 3 TYR HE2 H 10.072 0.685 3.784 1.00 . A A . 60 TYR HE2 1 1 9 3504 1 1 3 TYR HH H 9.773 2.528 5.218 1.00 . A A . 60 TYR HH 1 1 9 3505 1 1 3 TYR N N 7.079 -3.017 2.357 1.00 . A A . 60 TYR N 1 1 9 3506 1 1 3 TYR O O 5.120 -2.685 -0.107 1.00 . A A . 60 TYR O 1 1 9 3507 1 1 3 TYR OH O 8.930 2.210 5.579 1.00 . A A . 60 TYR OH 1 1 9 3508 1 1 4 VAL C C 1.802 -4.348 1.179 1.00 . A A . 61 VAL C 1 1 9 3509 1 1 4 VAL CA C 3.226 -4.515 0.679 1.00 . A A . 61 VAL CA 1 1 9 3510 1 1 4 VAL CB C 3.565 -6.018 0.591 1.00 . A A . 61 VAL CB 1 1 9 3511 1 1 4 VAL CG1 C 2.713 -6.696 -0.461 1.00 . A A . 61 VAL CG1 1 1 9 3512 1 1 4 VAL CG2 C 5.036 -6.213 0.285 1.00 . A A . 61 VAL CG2 1 1 9 3513 1 1 4 VAL H H 4.105 -4.001 2.512 1.00 . A A . 61 VAL H 1 1 9 3514 1 1 4 VAL HA H 3.309 -4.084 -0.309 1.00 . A A . 61 VAL HA 1 1 9 3515 1 1 4 VAL HB H 3.353 -6.475 1.548 1.00 . A A . 61 VAL HB 1 1 9 3516 1 1 4 VAL HG11 H 1.671 -6.541 -0.229 1.00 . A A . 61 VAL HG11 1 1 9 3517 1 1 4 VAL HG12 H 2.928 -7.753 -0.473 1.00 . A A . 61 VAL HG12 1 1 9 3518 1 1 4 VAL HG13 H 2.938 -6.268 -1.432 1.00 . A A . 61 VAL HG13 1 1 9 3519 1 1 4 VAL HG21 H 5.254 -7.265 0.209 1.00 . A A . 61 VAL HG21 1 1 9 3520 1 1 4 VAL HG22 H 5.627 -5.773 1.073 1.00 . A A . 61 VAL HG22 1 1 9 3521 1 1 4 VAL HG23 H 5.265 -5.726 -0.652 1.00 . A A . 61 VAL HG23 1 1 9 3522 1 1 4 VAL N N 4.136 -3.815 1.554 1.00 . A A . 61 VAL N 1 1 9 3523 1 1 4 VAL O O 1.556 -4.309 2.387 1.00 . A A . 61 VAL O 1 1 9 3524 1 1 5 CYS C C -1.016 -5.471 1.096 1.00 . A A . 62 CYS C 1 1 9 3525 1 1 5 CYS CA C -0.537 -4.129 0.593 1.00 . A A . 62 CYS CA 1 1 9 3526 1 1 5 CYS CB C -1.372 -3.714 -0.614 1.00 . A A . 62 CYS CB 1 1 9 3527 1 1 5 CYS H H 1.148 -4.193 -0.695 1.00 . A A . 62 CYS H 1 1 9 3528 1 1 5 CYS HA H -0.649 -3.396 1.377 1.00 . A A . 62 CYS HA 1 1 9 3529 1 1 5 CYS HB2 H -1.007 -2.781 -0.991 1.00 . A A . 62 CYS HB2 1 1 9 3530 1 1 5 CYS HB3 H -1.271 -4.470 -1.373 1.00 . A A . 62 CYS HB3 1 1 9 3531 1 1 5 CYS N N 0.874 -4.219 0.250 1.00 . A A . 62 CYS N 1 1 9 3532 1 1 5 CYS O O -1.304 -6.368 0.310 1.00 . A A . 62 CYS O 1 1 9 3533 1 1 5 CYS SG S -3.134 -3.497 -0.301 1.00 . A A . 62 CYS SG 1 1 9 3534 1 1 6 GLU C C -2.986 -7.163 2.576 1.00 . A A . 63 GLU C 1 1 9 3535 1 1 6 GLU CA C -1.566 -6.822 3.039 1.00 . A A . 63 GLU CA 1 1 9 3536 1 1 6 GLU CB C -1.512 -6.626 4.559 1.00 . A A . 63 GLU CB 1 1 9 3537 1 1 6 GLU CD C -1.757 -7.594 6.864 1.00 . A A . 63 GLU CD 1 1 9 3538 1 1 6 GLU CG C -1.905 -7.843 5.377 1.00 . A A . 63 GLU CG 1 1 9 3539 1 1 6 GLU H H -0.808 -4.853 2.970 1.00 . A A . 63 GLU H 1 1 9 3540 1 1 6 GLU HA H -0.903 -7.624 2.759 1.00 . A A . 63 GLU HA 1 1 9 3541 1 1 6 GLU HB2 H -0.504 -6.355 4.831 1.00 . A A . 63 GLU HB2 1 1 9 3542 1 1 6 GLU HB3 H -2.173 -5.813 4.825 1.00 . A A . 63 GLU HB3 1 1 9 3543 1 1 6 GLU HG2 H -2.935 -8.088 5.165 1.00 . A A . 63 GLU HG2 1 1 9 3544 1 1 6 GLU HG3 H -1.270 -8.671 5.098 1.00 . A A . 63 GLU HG3 1 1 9 3545 1 1 6 GLU N N -1.095 -5.601 2.403 1.00 . A A . 63 GLU N 1 1 9 3546 1 1 6 GLU O O -3.450 -8.297 2.712 1.00 . A A . 63 GLU O 1 1 9 3547 1 1 6 GLU OE1 O -2.518 -6.770 7.412 1.00 . A A . 63 GLU OE1 1 1 9 3548 1 1 6 GLU OE2 O -0.865 -8.206 7.491 1.00 . A A . 63 GLU OE2 1 1 9 3549 1 1 7 ARG C C -5.264 -6.748 0.165 1.00 . A A . 64 ARG C 1 1 9 3550 1 1 7 ARG CA C -5.051 -6.326 1.625 1.00 . A A . 64 ARG CA 1 1 9 3551 1 1 7 ARG CB C -5.792 -5.034 1.946 1.00 . A A . 64 ARG CB 1 1 9 3552 1 1 7 ARG CD C -6.625 -3.672 3.915 1.00 . A A . 64 ARG CD 1 1 9 3553 1 1 7 ARG CG C -5.535 -4.580 3.372 1.00 . A A . 64 ARG CG 1 1 9 3554 1 1 7 ARG CZ C -7.177 -2.622 6.084 1.00 . A A . 64 ARG CZ 1 1 9 3555 1 1 7 ARG H H -3.215 -5.330 1.815 1.00 . A A . 64 ARG H 1 1 9 3556 1 1 7 ARG HA H -5.457 -7.104 2.253 1.00 . A A . 64 ARG HA 1 1 9 3557 1 1 7 ARG HB2 H -5.463 -4.258 1.269 1.00 . A A . 64 ARG HB2 1 1 9 3558 1 1 7 ARG HB3 H -6.844 -5.193 1.822 1.00 . A A . 64 ARG HB3 1 1 9 3559 1 1 7 ARG HD2 H -6.659 -2.768 3.322 1.00 . A A . 64 ARG HD2 1 1 9 3560 1 1 7 ARG HD3 H -7.575 -4.187 3.854 1.00 . A A . 64 ARG HD3 1 1 9 3561 1 1 7 ARG HE H -5.503 -3.648 5.690 1.00 . A A . 64 ARG HE 1 1 9 3562 1 1 7 ARG HG2 H -5.465 -5.452 4.003 1.00 . A A . 64 ARG HG2 1 1 9 3563 1 1 7 ARG HG3 H -4.594 -4.048 3.398 1.00 . A A . 64 ARG HG3 1 1 9 3564 1 1 7 ARG HH11 H -8.612 -2.372 4.669 1.00 . A A . 64 ARG HH11 1 1 9 3565 1 1 7 ARG HH12 H -8.966 -1.659 6.214 1.00 . A A . 64 ARG HH12 1 1 9 3566 1 1 7 ARG HH21 H -5.957 -2.718 7.701 1.00 . A A . 64 ARG HH21 1 1 9 3567 1 1 7 ARG HH22 H -7.433 -1.827 7.935 1.00 . A A . 64 ARG HH22 1 1 9 3568 1 1 7 ARG N N -3.660 -6.180 1.987 1.00 . A A . 64 ARG N 1 1 9 3569 1 1 7 ARG NE N -6.358 -3.326 5.307 1.00 . A A . 64 ARG NE 1 1 9 3570 1 1 7 ARG NH1 N -8.342 -2.182 5.615 1.00 . A A . 64 ARG NH1 1 1 9 3571 1 1 7 ARG NH2 N -6.831 -2.374 7.340 1.00 . A A . 64 ARG NH2 1 1 9 3572 1 1 7 ARG O O -6.321 -7.292 -0.155 1.00 . A A . 64 ARG O 1 1 9 3573 1 1 8 CYS C C -3.166 -7.632 -2.667 1.00 . A A . 65 CYS C 1 1 9 3574 1 1 8 CYS CA C -4.473 -7.081 -2.087 1.00 . A A . 65 CYS CA 1 1 9 3575 1 1 8 CYS CB C -5.119 -6.071 -3.044 1.00 . A A . 65 CYS CB 1 1 9 3576 1 1 8 CYS H H -3.513 -5.963 -0.522 1.00 . A A . 65 CYS H 1 1 9 3577 1 1 8 CYS HA H -5.153 -7.914 -1.980 1.00 . A A . 65 CYS HA 1 1 9 3578 1 1 8 CYS HB2 H -5.486 -6.603 -3.910 1.00 . A A . 65 CYS HB2 1 1 9 3579 1 1 8 CYS HB3 H -5.951 -5.595 -2.539 1.00 . A A . 65 CYS HB3 1 1 9 3580 1 1 8 CYS N N -4.305 -6.518 -0.743 1.00 . A A . 65 CYS N 1 1 9 3581 1 1 8 CYS O O -3.127 -8.084 -3.811 1.00 . A A . 65 CYS O 1 1 9 3582 1 1 8 CYS SG S -4.023 -4.771 -3.638 1.00 . A A . 65 CYS SG 1 1 9 3583 1 1 9 GLY C C 0.088 -7.334 -3.049 1.00 . A A . 66 GLY C 1 1 9 3584 1 1 9 GLY CA C -0.856 -8.237 -2.274 1.00 . A A . 66 GLY CA 1 1 9 3585 1 1 9 GLY H H -2.153 -7.134 -1.015 1.00 . A A . 66 GLY H 1 1 9 3586 1 1 9 GLY HA2 H -0.347 -8.578 -1.381 1.00 . A A . 66 GLY HA2 1 1 9 3587 1 1 9 GLY HA3 H -1.096 -9.096 -2.889 1.00 . A A . 66 GLY HA3 1 1 9 3588 1 1 9 GLY N N -2.101 -7.593 -1.881 1.00 . A A . 66 GLY N 1 1 9 3589 1 1 9 GLY O O 1.259 -7.662 -3.210 1.00 . A A . 66 GLY O 1 1 9 3590 1 1 10 LYS C C 1.289 -4.426 -3.468 1.00 . A A . 67 LYS C 1 1 9 3591 1 1 10 LYS CA C 0.408 -5.309 -4.348 1.00 . A A . 67 LYS CA 1 1 9 3592 1 1 10 LYS CB C -0.498 -4.479 -5.247 1.00 . A A . 67 LYS CB 1 1 9 3593 1 1 10 LYS CD C -2.496 -4.583 -6.758 1.00 . A A . 67 LYS CD 1 1 9 3594 1 1 10 LYS CE C -3.399 -5.507 -7.556 1.00 . A A . 67 LYS CE 1 1 9 3595 1 1 10 LYS CG C -1.357 -5.351 -6.146 1.00 . A A . 67 LYS CG 1 1 9 3596 1 1 10 LYS H H -1.347 -5.977 -3.362 1.00 . A A . 67 LYS H 1 1 9 3597 1 1 10 LYS HA H 1.048 -5.920 -4.968 1.00 . A A . 67 LYS HA 1 1 9 3598 1 1 10 LYS HB2 H -1.145 -3.866 -4.634 1.00 . A A . 67 LYS HB2 1 1 9 3599 1 1 10 LYS HB3 H 0.110 -3.841 -5.872 1.00 . A A . 67 LYS HB3 1 1 9 3600 1 1 10 LYS HD2 H -3.068 -4.120 -5.967 1.00 . A A . 67 LYS HD2 1 1 9 3601 1 1 10 LYS HD3 H -2.097 -3.824 -7.415 1.00 . A A . 67 LYS HD3 1 1 9 3602 1 1 10 LYS HE2 H -3.862 -6.209 -6.879 1.00 . A A . 67 LYS HE2 1 1 9 3603 1 1 10 LYS HE3 H -4.161 -4.914 -8.033 1.00 . A A . 67 LYS HE3 1 1 9 3604 1 1 10 LYS HG2 H -0.747 -5.743 -6.942 1.00 . A A . 67 LYS HG2 1 1 9 3605 1 1 10 LYS HG3 H -1.757 -6.168 -5.562 1.00 . A A . 67 LYS HG3 1 1 9 3606 1 1 10 LYS HZ1 H -2.188 -5.599 -9.259 1.00 . A A . 67 LYS HZ1 1 1 9 3607 1 1 10 LYS HZ2 H -3.304 -6.869 -9.136 1.00 . A A . 67 LYS HZ2 1 1 9 3608 1 1 10 LYS HZ3 H -1.922 -6.865 -8.157 1.00 . A A . 67 LYS HZ3 1 1 9 3609 1 1 10 LYS N N -0.410 -6.207 -3.538 1.00 . A A . 67 LYS N 1 1 9 3610 1 1 10 LYS NZ N -2.653 -6.261 -8.598 1.00 . A A . 67 LYS NZ 1 1 9 3611 1 1 10 LYS O O 0.817 -3.805 -2.519 1.00 . A A . 67 LYS O 1 1 9 3612 1 1 11 ARG C C 4.012 -2.380 -3.434 1.00 . A A . 68 ARG C 1 1 9 3613 1 1 11 ARG CA C 3.558 -3.749 -2.924 1.00 . A A . 68 ARG CA 1 1 9 3614 1 1 11 ARG CB C 4.763 -4.666 -2.798 1.00 . A A . 68 ARG CB 1 1 9 3615 1 1 11 ARG CD C 6.619 -5.830 -4.034 1.00 . A A . 68 ARG CD 1 1 9 3616 1 1 11 ARG CG C 5.286 -5.110 -4.137 1.00 . A A . 68 ARG CG 1 1 9 3617 1 1 11 ARG CZ C 8.328 -5.947 -5.807 1.00 . A A . 68 ARG CZ 1 1 9 3618 1 1 11 ARG H H 2.873 -4.794 -4.626 1.00 . A A . 68 ARG H 1 1 9 3619 1 1 11 ARG HA H 3.117 -3.630 -1.950 1.00 . A A . 68 ARG HA 1 1 9 3620 1 1 11 ARG HB2 H 5.550 -4.142 -2.285 1.00 . A A . 68 ARG HB2 1 1 9 3621 1 1 11 ARG HB3 H 4.485 -5.545 -2.231 1.00 . A A . 68 ARG HB3 1 1 9 3622 1 1 11 ARG HD2 H 7.339 -5.173 -3.570 1.00 . A A . 68 ARG HD2 1 1 9 3623 1 1 11 ARG HD3 H 6.493 -6.716 -3.429 1.00 . A A . 68 ARG HD3 1 1 9 3624 1 1 11 ARG HE H 6.479 -6.703 -5.943 1.00 . A A . 68 ARG HE 1 1 9 3625 1 1 11 ARG HG2 H 4.563 -5.777 -4.579 1.00 . A A . 68 ARG HG2 1 1 9 3626 1 1 11 ARG HG3 H 5.402 -4.235 -4.758 1.00 . A A . 68 ARG HG3 1 1 9 3627 1 1 11 ARG HH11 H 8.967 -5.082 -4.087 1.00 . A A . 68 ARG HH11 1 1 9 3628 1 1 11 ARG HH12 H 10.125 -5.107 -5.385 1.00 . A A . 68 ARG HH12 1 1 9 3629 1 1 11 ARG HH21 H 8.001 -6.769 -7.634 1.00 . A A . 68 ARG HH21 1 1 9 3630 1 1 11 ARG HH22 H 9.583 -6.100 -7.383 1.00 . A A . 68 ARG HH22 1 1 9 3631 1 1 11 ARG N N 2.573 -4.383 -3.786 1.00 . A A . 68 ARG N 1 1 9 3632 1 1 11 ARG NE N 7.111 -6.222 -5.351 1.00 . A A . 68 ARG NE 1 1 9 3633 1 1 11 ARG NH1 N 9.211 -5.336 -5.030 1.00 . A A . 68 ARG NH1 1 1 9 3634 1 1 11 ARG NH2 N 8.668 -6.298 -7.039 1.00 . A A . 68 ARG NH2 1 1 9 3635 1 1 11 ARG O O 3.713 -1.976 -4.561 1.00 . A A . 68 ARG O 1 1 9 3636 1 1 12 PHE C C 6.682 -0.288 -2.209 1.00 . A A . 69 PHE C 1 1 9 3637 1 1 12 PHE CA C 5.310 -0.384 -2.842 1.00 . A A . 69 PHE CA 1 1 9 3638 1 1 12 PHE CB C 4.392 0.707 -2.280 1.00 . A A . 69 PHE CB 1 1 9 3639 1 1 12 PHE CD1 C 2.060 0.377 -3.131 1.00 . A A . 69 PHE CD1 1 1 9 3640 1 1 12 PHE CD2 C 3.394 2.079 -4.128 1.00 . A A . 69 PHE CD2 1 1 9 3641 1 1 12 PHE CE1 C 1.011 0.703 -3.964 1.00 . A A . 69 PHE CE1 1 1 9 3642 1 1 12 PHE CE2 C 2.347 2.412 -4.961 1.00 . A A . 69 PHE CE2 1 1 9 3643 1 1 12 PHE CG C 3.261 1.061 -3.203 1.00 . A A . 69 PHE CG 1 1 9 3644 1 1 12 PHE CZ C 1.195 1.709 -4.936 1.00 . A A . 69 PHE CZ 1 1 9 3645 1 1 12 PHE H H 4.977 -2.106 -1.714 1.00 . A A . 69 PHE H 1 1 9 3646 1 1 12 PHE HA H 5.409 -0.251 -3.906 1.00 . A A . 69 PHE HA 1 1 9 3647 1 1 12 PHE HB2 H 3.964 0.361 -1.348 1.00 . A A . 69 PHE HB2 1 1 9 3648 1 1 12 PHE HB3 H 4.972 1.604 -2.099 1.00 . A A . 69 PHE HB3 1 1 9 3649 1 1 12 PHE HD1 H 1.949 -0.424 -2.413 1.00 . A A . 69 PHE HD1 1 1 9 3650 1 1 12 PHE HD2 H 4.326 2.620 -4.194 1.00 . A A . 69 PHE HD2 1 1 9 3651 1 1 12 PHE HE1 H 0.081 0.161 -3.897 1.00 . A A . 69 PHE HE1 1 1 9 3652 1 1 12 PHE HE2 H 2.459 3.211 -5.679 1.00 . A A . 69 PHE HE2 1 1 9 3653 1 1 12 PHE HZ H 0.391 1.958 -5.611 1.00 . A A . 69 PHE HZ 1 1 9 3654 1 1 12 PHE N N 4.763 -1.696 -2.577 1.00 . A A . 69 PHE N 1 1 9 3655 1 1 12 PHE O O 7.156 -1.229 -1.571 1.00 . A A . 69 PHE O 1 1 9 3656 1 1 13 VAL C C 8.482 2.180 -0.799 1.00 . A A . 70 VAL C 1 1 9 3657 1 1 13 VAL CA C 8.623 1.098 -1.839 1.00 . A A . 70 VAL CA 1 1 9 3658 1 1 13 VAL CB C 9.601 1.596 -2.918 1.00 . A A . 70 VAL CB 1 1 9 3659 1 1 13 VAL CG1 C 11.017 1.619 -2.392 1.00 . A A . 70 VAL CG1 1 1 9 3660 1 1 13 VAL CG2 C 9.503 0.756 -4.176 1.00 . A A . 70 VAL CG2 1 1 9 3661 1 1 13 VAL H H 6.904 1.534 -2.952 1.00 . A A . 70 VAL H 1 1 9 3662 1 1 13 VAL HA H 9.008 0.193 -1.392 1.00 . A A . 70 VAL HA 1 1 9 3663 1 1 13 VAL HB H 9.323 2.610 -3.171 1.00 . A A . 70 VAL HB 1 1 9 3664 1 1 13 VAL HG11 H 11.686 1.931 -3.176 1.00 . A A . 70 VAL HG11 1 1 9 3665 1 1 13 VAL HG12 H 11.288 0.630 -2.054 1.00 . A A . 70 VAL HG12 1 1 9 3666 1 1 13 VAL HG13 H 11.079 2.311 -1.567 1.00 . A A . 70 VAL HG13 1 1 9 3667 1 1 13 VAL HG21 H 9.716 -0.275 -3.940 1.00 . A A . 70 VAL HG21 1 1 9 3668 1 1 13 VAL HG22 H 10.216 1.117 -4.903 1.00 . A A . 70 VAL HG22 1 1 9 3669 1 1 13 VAL HG23 H 8.505 0.835 -4.579 1.00 . A A . 70 VAL HG23 1 1 9 3670 1 1 13 VAL N N 7.321 0.840 -2.404 1.00 . A A . 70 VAL N 1 1 9 3671 1 1 13 VAL O O 9.322 2.352 0.079 1.00 . A A . 70 VAL O 1 1 9 3672 1 1 14 GLN C C 6.108 3.947 0.850 1.00 . A A . 71 GLN C 1 1 9 3673 1 1 14 GLN CA C 7.197 4.123 -0.191 1.00 . A A . 71 GLN CA 1 1 9 3674 1 1 14 GLN CB C 6.822 5.191 -1.214 1.00 . A A . 71 GLN CB 1 1 9 3675 1 1 14 GLN CD C 7.616 6.412 -3.296 1.00 . A A . 71 GLN CD 1 1 9 3676 1 1 14 GLN CG C 7.676 5.137 -2.478 1.00 . A A . 71 GLN CG 1 1 9 3677 1 1 14 GLN H H 6.654 2.580 -1.495 1.00 . A A . 71 GLN H 1 1 9 3678 1 1 14 GLN HA H 8.126 4.390 0.290 1.00 . A A . 71 GLN HA 1 1 9 3679 1 1 14 GLN HB2 H 5.787 5.046 -1.501 1.00 . A A . 71 GLN HB2 1 1 9 3680 1 1 14 GLN HB3 H 6.931 6.159 -0.771 1.00 . A A . 71 GLN HB3 1 1 9 3681 1 1 14 GLN HE21 H 7.989 5.370 -4.956 1.00 . A A . 71 GLN HE21 1 1 9 3682 1 1 14 GLN HE22 H 7.787 7.087 -5.163 1.00 . A A . 71 GLN HE22 1 1 9 3683 1 1 14 GLN HG2 H 8.703 4.944 -2.207 1.00 . A A . 71 GLN HG2 1 1 9 3684 1 1 14 GLN HG3 H 7.316 4.324 -3.092 1.00 . A A . 71 GLN HG3 1 1 9 3685 1 1 14 GLN N N 7.381 2.896 -0.910 1.00 . A A . 71 GLN N 1 1 9 3686 1 1 14 GLN NE2 N 7.814 6.280 -4.599 1.00 . A A . 71 GLN NE2 1 1 9 3687 1 1 14 GLN O O 5.020 3.467 0.537 1.00 . A A . 71 GLN O 1 1 9 3688 1 1 14 GLN OE1 O 7.410 7.502 -2.766 1.00 . A A . 71 GLN OE1 1 1 9 3689 1 1 15 SER C C 4.211 5.008 2.870 1.00 . A A . 72 SER C 1 1 9 3690 1 1 15 SER CA C 5.464 4.216 3.188 1.00 . A A . 72 SER CA 1 1 9 3691 1 1 15 SER CB C 6.086 4.730 4.487 1.00 . A A . 72 SER CB 1 1 9 3692 1 1 15 SER H H 7.312 4.689 2.270 1.00 . A A . 72 SER H 1 1 9 3693 1 1 15 SER HA H 5.204 3.175 3.304 1.00 . A A . 72 SER HA 1 1 9 3694 1 1 15 SER HB2 H 7.005 4.198 4.678 1.00 . A A . 72 SER HB2 1 1 9 3695 1 1 15 SER HB3 H 6.292 5.786 4.389 1.00 . A A . 72 SER HB3 1 1 9 3696 1 1 15 SER HG H 5.652 4.819 6.396 1.00 . A A . 72 SER HG 1 1 9 3697 1 1 15 SER N N 6.415 4.326 2.089 1.00 . A A . 72 SER N 1 1 9 3698 1 1 15 SER O O 3.093 4.518 3.026 1.00 . A A . 72 SER O 1 1 9 3699 1 1 15 SER OG O 5.211 4.536 5.582 1.00 . A A . 72 SER OG 1 1 9 3700 1 1 16 SER C C 2.472 6.421 0.935 1.00 . A A . 73 SER C 1 1 9 3701 1 1 16 SER CA C 3.323 7.091 2.007 1.00 . A A . 73 SER CA 1 1 9 3702 1 1 16 SER CB C 3.878 8.419 1.497 1.00 . A A . 73 SER CB 1 1 9 3703 1 1 16 SER H H 5.339 6.564 2.329 1.00 . A A . 73 SER H 1 1 9 3704 1 1 16 SER HA H 2.711 7.276 2.876 1.00 . A A . 73 SER HA 1 1 9 3705 1 1 16 SER HB2 H 3.112 8.935 0.938 1.00 . A A . 73 SER HB2 1 1 9 3706 1 1 16 SER HB3 H 4.187 9.026 2.336 1.00 . A A . 73 SER HB3 1 1 9 3707 1 1 16 SER HG H 5.802 8.169 1.186 1.00 . A A . 73 SER HG 1 1 9 3708 1 1 16 SER N N 4.416 6.229 2.405 1.00 . A A . 73 SER N 1 1 9 3709 1 1 16 SER O O 1.253 6.348 1.062 1.00 . A A . 73 SER O 1 1 9 3710 1 1 16 SER OG O 4.996 8.202 0.650 1.00 . A A . 73 SER OG 1 1 9 3711 1 1 17 GLN C C 1.709 4.050 -0.838 1.00 . A A . 74 GLN C 1 1 9 3712 1 1 17 GLN CA C 2.443 5.314 -1.229 1.00 . A A . 74 GLN CA 1 1 9 3713 1 1 17 GLN CB C 3.443 5.039 -2.357 1.00 . A A . 74 GLN CB 1 1 9 3714 1 1 17 GLN CD C 3.000 7.213 -3.569 1.00 . A A . 74 GLN CD 1 1 9 3715 1 1 17 GLN CG C 4.043 6.301 -2.956 1.00 . A A . 74 GLN CG 1 1 9 3716 1 1 17 GLN H H 4.099 5.740 -0.006 1.00 . A A . 74 GLN H 1 1 9 3717 1 1 17 GLN HA H 1.726 6.048 -1.564 1.00 . A A . 74 GLN HA 1 1 9 3718 1 1 17 GLN HB2 H 4.252 4.435 -1.964 1.00 . A A . 74 GLN HB2 1 1 9 3719 1 1 17 GLN HB3 H 2.947 4.496 -3.142 1.00 . A A . 74 GLN HB3 1 1 9 3720 1 1 17 GLN HE21 H 3.189 6.303 -5.323 1.00 . A A . 74 GLN HE21 1 1 9 3721 1 1 17 GLN HE22 H 2.036 7.590 -5.265 1.00 . A A . 74 GLN HE22 1 1 9 3722 1 1 17 GLN HG2 H 4.559 6.844 -2.178 1.00 . A A . 74 GLN HG2 1 1 9 3723 1 1 17 GLN HG3 H 4.747 6.020 -3.726 1.00 . A A . 74 GLN HG3 1 1 9 3724 1 1 17 GLN N N 3.131 5.852 -0.072 1.00 . A A . 74 GLN N 1 1 9 3725 1 1 17 GLN NE2 N 2.715 7.016 -4.848 1.00 . A A . 74 GLN NE2 1 1 9 3726 1 1 17 GLN O O 0.599 3.793 -1.294 1.00 . A A . 74 GLN O 1 1 9 3727 1 1 17 GLN OE1 O 2.456 8.088 -2.902 1.00 . A A . 74 GLN OE1 1 1 9 3728 1 1 18 LEU C C 0.472 2.418 1.355 1.00 . A A . 75 LEU C 1 1 9 3729 1 1 18 LEU CA C 1.720 2.080 0.569 1.00 . A A . 75 LEU CA 1 1 9 3730 1 1 18 LEU CB C 2.703 1.344 1.481 1.00 . A A . 75 LEU CB 1 1 9 3731 1 1 18 LEU CD1 C 1.610 -0.854 1.261 1.00 . A A . 75 LEU CD1 1 1 9 3732 1 1 18 LEU CD2 C 3.078 -0.423 3.224 1.00 . A A . 75 LEU CD2 1 1 9 3733 1 1 18 LEU CG C 2.089 0.179 2.243 1.00 . A A . 75 LEU CG 1 1 9 3734 1 1 18 LEU H H 3.233 3.532 0.341 1.00 . A A . 75 LEU H 1 1 9 3735 1 1 18 LEU HA H 1.444 1.450 -0.260 1.00 . A A . 75 LEU HA 1 1 9 3736 1 1 18 LEU HB2 H 3.518 0.968 0.873 1.00 . A A . 75 LEU HB2 1 1 9 3737 1 1 18 LEU HB3 H 3.099 2.051 2.199 1.00 . A A . 75 LEU HB3 1 1 9 3738 1 1 18 LEU HD11 H 2.446 -1.196 0.671 1.00 . A A . 75 LEU HD11 1 1 9 3739 1 1 18 LEU HD12 H 0.871 -0.402 0.618 1.00 . A A . 75 LEU HD12 1 1 9 3740 1 1 18 LEU HD13 H 1.173 -1.683 1.793 1.00 . A A . 75 LEU HD13 1 1 9 3741 1 1 18 LEU HD21 H 3.349 0.320 3.960 1.00 . A A . 75 LEU HD21 1 1 9 3742 1 1 18 LEU HD22 H 3.961 -0.743 2.694 1.00 . A A . 75 LEU HD22 1 1 9 3743 1 1 18 LEU HD23 H 2.626 -1.273 3.716 1.00 . A A . 75 LEU HD23 1 1 9 3744 1 1 18 LEU HG H 1.233 0.531 2.801 1.00 . A A . 75 LEU HG 1 1 9 3745 1 1 18 LEU N N 2.331 3.281 0.039 1.00 . A A . 75 LEU N 1 1 9 3746 1 1 18 LEU O O -0.610 1.903 1.081 1.00 . A A . 75 LEU O 1 1 9 3747 1 1 19 ALA C C -1.509 4.382 2.280 1.00 . A A . 76 ALA C 1 1 9 3748 1 1 19 ALA CA C -0.465 3.725 3.156 1.00 . A A . 76 ALA CA 1 1 9 3749 1 1 19 ALA CB C 0.017 4.681 4.238 1.00 . A A . 76 ALA CB 1 1 9 3750 1 1 19 ALA H H 1.555 3.551 2.563 1.00 . A A . 76 ALA H 1 1 9 3751 1 1 19 ALA HA H -0.913 2.860 3.636 1.00 . A A . 76 ALA HA 1 1 9 3752 1 1 19 ALA HB1 H -0.821 4.994 4.845 1.00 . A A . 76 ALA HB1 1 1 9 3753 1 1 19 ALA HB2 H 0.470 5.547 3.778 1.00 . A A . 76 ALA HB2 1 1 9 3754 1 1 19 ALA HB3 H 0.747 4.183 4.861 1.00 . A A . 76 ALA HB3 1 1 9 3755 1 1 19 ALA N N 0.647 3.260 2.350 1.00 . A A . 76 ALA N 1 1 9 3756 1 1 19 ALA O O -2.698 4.191 2.496 1.00 . A A . 76 ALA O 1 1 9 3757 1 1 20 ASN C C -2.819 4.628 -0.344 1.00 . A A . 77 ASN C 1 1 9 3758 1 1 20 ASN CA C -2.005 5.728 0.325 1.00 . A A . 77 ASN CA 1 1 9 3759 1 1 20 ASN CB C -1.262 6.544 -0.737 1.00 . A A . 77 ASN CB 1 1 9 3760 1 1 20 ASN CG C -2.196 7.149 -1.767 1.00 . A A . 77 ASN CG 1 1 9 3761 1 1 20 ASN H H -0.090 5.289 1.161 1.00 . A A . 77 ASN H 1 1 9 3762 1 1 20 ASN HA H -2.673 6.377 0.874 1.00 . A A . 77 ASN HA 1 1 9 3763 1 1 20 ASN HB2 H -0.724 7.346 -0.255 1.00 . A A . 77 ASN HB2 1 1 9 3764 1 1 20 ASN HB3 H -0.560 5.903 -1.248 1.00 . A A . 77 ASN HB3 1 1 9 3765 1 1 20 ASN HD21 H -2.360 8.804 -0.674 1.00 . A A . 77 ASN HD21 1 1 9 3766 1 1 20 ASN HD22 H -3.265 8.783 -2.167 1.00 . A A . 77 ASN HD22 1 1 9 3767 1 1 20 ASN N N -1.070 5.132 1.273 1.00 . A A . 77 ASN N 1 1 9 3768 1 1 20 ASN ND2 N -2.653 8.365 -1.510 1.00 . A A . 77 ASN ND2 1 1 9 3769 1 1 20 ASN O O -4.049 4.693 -0.421 1.00 . A A . 77 ASN O 1 1 9 3770 1 1 20 ASN OD1 O -2.496 6.532 -2.792 1.00 . A A . 77 ASN OD1 1 1 9 3771 1 1 21 HIS C C -3.721 1.756 -0.572 1.00 . A A . 78 HIS C 1 1 9 3772 1 1 21 HIS CA C -2.704 2.466 -1.463 1.00 . A A . 78 HIS CA 1 1 9 3773 1 1 21 HIS CB C -1.573 1.520 -1.854 1.00 . A A . 78 HIS CB 1 1 9 3774 1 1 21 HIS CD2 C -2.338 -0.924 -2.075 1.00 . A A . 78 HIS CD2 1 1 9 3775 1 1 21 HIS CE1 C -2.391 -1.087 -4.231 1.00 . A A . 78 HIS CE1 1 1 9 3776 1 1 21 HIS CG C -1.995 0.283 -2.570 1.00 . A A . 78 HIS CG 1 1 9 3777 1 1 21 HIS H H -1.130 3.583 -0.615 1.00 . A A . 78 HIS H 1 1 9 3778 1 1 21 HIS HA H -3.194 2.825 -2.354 1.00 . A A . 78 HIS HA 1 1 9 3779 1 1 21 HIS HB2 H -0.887 2.050 -2.498 1.00 . A A . 78 HIS HB2 1 1 9 3780 1 1 21 HIS HB3 H -1.051 1.217 -0.952 1.00 . A A . 78 HIS HB3 1 1 9 3781 1 1 21 HIS HD1 H -1.850 0.883 -4.588 1.00 . A A . 78 HIS HD1 1 1 9 3782 1 1 21 HIS HD2 H -2.406 -1.185 -1.027 1.00 . A A . 78 HIS HD2 1 1 9 3783 1 1 21 HIS HE1 H -2.500 -1.473 -5.235 1.00 . A A . 78 HIS HE1 1 1 9 3784 1 1 21 HIS N N -2.110 3.595 -0.775 1.00 . A A . 78 HIS N 1 1 9 3785 1 1 21 HIS ND1 N -2.037 0.165 -3.938 1.00 . A A . 78 HIS ND1 1 1 9 3786 1 1 21 HIS NE2 N -2.590 -1.797 -3.129 1.00 . A A . 78 HIS NE2 1 1 9 3787 1 1 21 HIS O O -4.840 1.459 -0.991 1.00 . A A . 78 HIS O 1 1 9 3788 1 1 22 ILE C C -5.228 1.606 2.231 1.00 . A A . 79 ILE C 1 1 9 3789 1 1 22 ILE CA C -4.137 0.745 1.592 1.00 . A A . 79 ILE CA 1 1 9 3790 1 1 22 ILE CB C -3.240 0.083 2.645 1.00 . A A . 79 ILE CB 1 1 9 3791 1 1 22 ILE CD1 C -1.357 -1.617 2.825 1.00 . A A . 79 ILE CD1 1 1 9 3792 1 1 22 ILE CG1 C -2.321 -0.898 1.925 1.00 . A A . 79 ILE CG1 1 1 9 3793 1 1 22 ILE CG2 C -4.062 -0.625 3.712 1.00 . A A . 79 ILE CG2 1 1 9 3794 1 1 22 ILE H H -2.436 1.815 0.949 1.00 . A A . 79 ILE H 1 1 9 3795 1 1 22 ILE HA H -4.614 -0.052 1.033 1.00 . A A . 79 ILE HA 1 1 9 3796 1 1 22 ILE HB H -2.644 0.844 3.122 1.00 . A A . 79 ILE HB 1 1 9 3797 1 1 22 ILE HD11 H -0.794 -2.335 2.239 1.00 . A A . 79 ILE HD11 1 1 9 3798 1 1 22 ILE HD12 H -1.907 -2.129 3.600 1.00 . A A . 79 ILE HD12 1 1 9 3799 1 1 22 ILE HD13 H -0.682 -0.898 3.268 1.00 . A A . 79 ILE HD13 1 1 9 3800 1 1 22 ILE HG12 H -2.924 -1.646 1.431 1.00 . A A . 79 ILE HG12 1 1 9 3801 1 1 22 ILE HG13 H -1.744 -0.359 1.184 1.00 . A A . 79 ILE HG13 1 1 9 3802 1 1 22 ILE HG21 H -4.687 -1.372 3.247 1.00 . A A . 79 ILE HG21 1 1 9 3803 1 1 22 ILE HG22 H -4.681 0.097 4.224 1.00 . A A . 79 ILE HG22 1 1 9 3804 1 1 22 ILE HG23 H -3.399 -1.099 4.423 1.00 . A A . 79 ILE HG23 1 1 9 3805 1 1 22 ILE N N -3.322 1.499 0.660 1.00 . A A . 79 ILE N 1 1 9 3806 1 1 22 ILE O O -6.248 1.086 2.684 1.00 . A A . 79 ILE O 1 1 9 3807 1 1 23 ARG C C -7.326 3.688 1.794 1.00 . A A . 80 ARG C 1 1 9 3808 1 1 23 ARG CA C -6.083 3.834 2.669 1.00 . A A . 80 ARG CA 1 1 9 3809 1 1 23 ARG CB C -5.554 5.257 2.605 1.00 . A A . 80 ARG CB 1 1 9 3810 1 1 23 ARG CD C -5.894 5.965 4.992 1.00 . A A . 80 ARG CD 1 1 9 3811 1 1 23 ARG CG C -4.881 5.715 3.886 1.00 . A A . 80 ARG CG 1 1 9 3812 1 1 23 ARG CZ C -5.908 6.920 7.269 1.00 . A A . 80 ARG CZ 1 1 9 3813 1 1 23 ARG H H -4.154 3.302 2.025 1.00 . A A . 80 ARG H 1 1 9 3814 1 1 23 ARG HA H -6.343 3.600 3.690 1.00 . A A . 80 ARG HA 1 1 9 3815 1 1 23 ARG HB2 H -4.832 5.321 1.804 1.00 . A A . 80 ARG HB2 1 1 9 3816 1 1 23 ARG HB3 H -6.364 5.912 2.391 1.00 . A A . 80 ARG HB3 1 1 9 3817 1 1 23 ARG HD2 H -6.572 6.742 4.674 1.00 . A A . 80 ARG HD2 1 1 9 3818 1 1 23 ARG HD3 H -6.447 5.055 5.168 1.00 . A A . 80 ARG HD3 1 1 9 3819 1 1 23 ARG HE H -4.280 6.236 6.317 1.00 . A A . 80 ARG HE 1 1 9 3820 1 1 23 ARG HG2 H -4.194 4.949 4.212 1.00 . A A . 80 ARG HG2 1 1 9 3821 1 1 23 ARG HG3 H -4.339 6.623 3.686 1.00 . A A . 80 ARG HG3 1 1 9 3822 1 1 23 ARG HH11 H -7.720 6.881 6.369 1.00 . A A . 80 ARG HH11 1 1 9 3823 1 1 23 ARG HH12 H -7.710 7.537 7.977 1.00 . A A . 80 ARG HH12 1 1 9 3824 1 1 23 ARG HH21 H -4.263 7.088 8.438 1.00 . A A . 80 ARG HH21 1 1 9 3825 1 1 23 ARG HH22 H -5.739 7.668 9.148 1.00 . A A . 80 ARG HH22 1 1 9 3826 1 1 23 ARG N N -5.036 2.924 2.254 1.00 . A A . 80 ARG N 1 1 9 3827 1 1 23 ARG NE N -5.255 6.380 6.241 1.00 . A A . 80 ARG NE 1 1 9 3828 1 1 23 ARG NH1 N -7.218 7.128 7.196 1.00 . A A . 80 ARG NH1 1 1 9 3829 1 1 23 ARG NH2 N -5.252 7.248 8.373 1.00 . A A . 80 ARG NH2 1 1 9 3830 1 1 23 ARG O O -8.441 3.993 2.221 1.00 . A A . 80 ARG O 1 1 9 3831 1 1 24 HIS C C -8.809 1.574 -0.169 1.00 . A A . 81 HIS C 1 1 9 3832 1 1 24 HIS CA C -8.231 2.978 -0.356 1.00 . A A . 81 HIS CA 1 1 9 3833 1 1 24 HIS CB C -7.766 3.167 -1.809 1.00 . A A . 81 HIS CB 1 1 9 3834 1 1 24 HIS CD2 C -7.466 5.732 -1.497 1.00 . A A . 81 HIS CD2 1 1 9 3835 1 1 24 HIS CE1 C -6.126 6.105 -3.188 1.00 . A A . 81 HIS CE1 1 1 9 3836 1 1 24 HIS CG C -7.247 4.544 -2.112 1.00 . A A . 81 HIS CG 1 1 9 3837 1 1 24 HIS H H -6.211 2.993 0.286 1.00 . A A . 81 HIS H 1 1 9 3838 1 1 24 HIS HA H -9.005 3.702 -0.137 1.00 . A A . 81 HIS HA 1 1 9 3839 1 1 24 HIS HB2 H -6.977 2.462 -2.020 1.00 . A A . 81 HIS HB2 1 1 9 3840 1 1 24 HIS HB3 H -8.599 2.973 -2.468 1.00 . A A . 81 HIS HB3 1 1 9 3841 1 1 24 HIS HD1 H -6.067 4.153 -3.822 1.00 . A A . 81 HIS HD1 1 1 9 3842 1 1 24 HIS HD2 H -8.082 5.895 -0.623 1.00 . A A . 81 HIS HD2 1 1 9 3843 1 1 24 HIS HE1 H -5.490 6.602 -3.908 1.00 . A A . 81 HIS HE1 1 1 9 3844 1 1 24 HIS HE2 H -6.864 7.658 -2.075 1.00 . A A . 81 HIS HE2 1 1 9 3845 1 1 24 HIS N N -7.128 3.205 0.572 1.00 . A A . 81 HIS N 1 1 9 3846 1 1 24 HIS ND1 N -6.405 4.814 -3.168 1.00 . A A . 81 HIS ND1 1 1 9 3847 1 1 24 HIS NE2 N -6.757 6.684 -2.184 1.00 . A A . 81 HIS NE2 1 1 9 3848 1 1 24 HIS O O -9.630 1.111 -0.963 1.00 . A A . 81 HIS O 1 1 9 3849 1 1 25 HIS C C -9.589 -0.385 2.568 1.00 . A A . 82 HIS C 1 1 9 3850 1 1 25 HIS CA C -8.868 -0.424 1.229 1.00 . A A . 82 HIS CA 1 1 9 3851 1 1 25 HIS CB C -7.726 -1.435 1.324 1.00 . A A . 82 HIS CB 1 1 9 3852 1 1 25 HIS CD2 C -6.235 -1.530 -0.776 1.00 . A A . 82 HIS CD2 1 1 9 3853 1 1 25 HIS CE1 C -6.950 -3.368 -1.652 1.00 . A A . 82 HIS CE1 1 1 9 3854 1 1 25 HIS CG C -7.233 -1.973 0.020 1.00 . A A . 82 HIS CG 1 1 9 3855 1 1 25 HIS H H -7.661 1.296 1.441 1.00 . A A . 82 HIS H 1 1 9 3856 1 1 25 HIS HA H -9.558 -0.735 0.461 1.00 . A A . 82 HIS HA 1 1 9 3857 1 1 25 HIS HB2 H -6.887 -0.962 1.810 1.00 . A A . 82 HIS HB2 1 1 9 3858 1 1 25 HIS HB3 H -8.045 -2.269 1.925 1.00 . A A . 82 HIS HB3 1 1 9 3859 1 1 25 HIS HD1 H -8.434 -3.693 -0.231 1.00 . A A . 82 HIS HD1 1 1 9 3860 1 1 25 HIS HD2 H -5.664 -0.626 -0.625 1.00 . A A . 82 HIS HD2 1 1 9 3861 1 1 25 HIS HE1 H -7.079 -4.215 -2.308 1.00 . A A . 82 HIS HE1 1 1 9 3862 1 1 25 HIS N N -8.361 0.896 0.880 1.00 . A A . 82 HIS N 1 1 9 3863 1 1 25 HIS ND1 N -7.689 -3.139 -0.554 1.00 . A A . 82 HIS ND1 1 1 9 3864 1 1 25 HIS NE2 N -6.048 -2.421 -1.828 1.00 . A A . 82 HIS NE2 1 1 9 3865 1 1 25 HIS O O -10.066 -1.411 3.058 1.00 . A A . 82 HIS O 1 1 9 3866 1 1 26 ASP C C -11.724 1.139 4.402 1.00 . A A . 83 ASP C 1 1 9 3867 1 1 26 ASP CA C -10.223 0.939 4.493 1.00 . A A . 83 ASP CA 1 1 9 3868 1 1 26 ASP CB C -9.578 2.105 5.244 1.00 . A A . 83 ASP CB 1 1 9 3869 1 1 26 ASP CG C -9.931 2.105 6.718 1.00 . A A . 83 ASP CG 1 1 9 3870 1 1 26 ASP H H -9.328 1.587 2.688 1.00 . A A . 83 ASP H 1 1 9 3871 1 1 26 ASP HA H -10.028 0.024 5.033 1.00 . A A . 83 ASP HA 1 1 9 3872 1 1 26 ASP HB2 H -8.503 2.034 5.152 1.00 . A A . 83 ASP HB2 1 1 9 3873 1 1 26 ASP HB3 H -9.917 3.038 4.812 1.00 . A A . 83 ASP HB3 1 1 9 3874 1 1 26 ASP N N -9.654 0.795 3.162 1.00 . A A . 83 ASP N 1 1 9 3875 1 1 26 ASP O O -12.469 0.224 4.804 1.00 . A A . 83 ASP O 1 1 9 3876 1 1 26 ASP OXT O -12.156 2.192 3.893 1.00 . A A . 83 ASP OXT 1 1 9 3877 1 1 26 ASP OD1 O -10.948 2.715 7.097 1.00 . A A . 83 ASP OD1 1 1 9 3878 1 1 26 ASP OD2 O -9.183 1.486 7.511 1.00 . A A . 83 ASP OD2 1 1 9 3879 2 2 1 ZN ZN ZN -4.158 -2.908 -2.286 1.00 . B A . 101 ZN ZN 1 1 10 3880 1 1 1 LYS C C 9.382 -4.598 0.509 1.00 . A A . 58 LYS C 1 1 10 3881 1 1 1 LYS CA C 10.009 -4.512 -0.877 1.00 . A A . 58 LYS CA 1 1 10 3882 1 1 1 LYS CB C 9.026 -3.851 -1.857 1.00 . A A . 58 LYS CB 1 1 10 3883 1 1 1 LYS CD C 10.825 -3.112 -3.461 1.00 . A A . 58 LYS CD 1 1 10 3884 1 1 1 LYS CE C 11.329 -3.174 -4.895 1.00 . A A . 58 LYS CE 1 1 10 3885 1 1 1 LYS CG C 9.502 -3.846 -3.303 1.00 . A A . 58 LYS CG 1 1 10 3886 1 1 1 LYS H1 H 10.883 -5.830 -2.241 1.00 . A A . 58 LYS H1 1 1 10 3887 1 1 1 LYS H2 H 9.507 -6.444 -1.466 1.00 . A A . 58 LYS H2 1 1 10 3888 1 1 1 LYS H3 H 10.977 -6.336 -0.623 1.00 . A A . 58 LYS H3 1 1 10 3889 1 1 1 LYS HA H 10.910 -3.920 -0.821 1.00 . A A . 58 LYS HA 1 1 10 3890 1 1 1 LYS HB2 H 8.083 -4.374 -1.812 1.00 . A A . 58 LYS HB2 1 1 10 3891 1 1 1 LYS HB3 H 8.872 -2.827 -1.551 1.00 . A A . 58 LYS HB3 1 1 10 3892 1 1 1 LYS HD2 H 10.684 -2.079 -3.183 1.00 . A A . 58 LYS HD2 1 1 10 3893 1 1 1 LYS HD3 H 11.556 -3.567 -2.810 1.00 . A A . 58 LYS HD3 1 1 10 3894 1 1 1 LYS HE2 H 11.346 -4.206 -5.212 1.00 . A A . 58 LYS HE2 1 1 10 3895 1 1 1 LYS HE3 H 10.650 -2.617 -5.525 1.00 . A A . 58 LYS HE3 1 1 10 3896 1 1 1 LYS HG2 H 9.629 -4.866 -3.631 1.00 . A A . 58 LYS HG2 1 1 10 3897 1 1 1 LYS HG3 H 8.755 -3.359 -3.914 1.00 . A A . 58 LYS HG3 1 1 10 3898 1 1 1 LYS HZ1 H 12.708 -1.607 -4.717 1.00 . A A . 58 LYS HZ1 1 1 10 3899 1 1 1 LYS HZ2 H 13.004 -2.636 -6.028 1.00 . A A . 58 LYS HZ2 1 1 10 3900 1 1 1 LYS HZ3 H 13.377 -3.147 -4.458 1.00 . A A . 58 LYS HZ3 1 1 10 3901 1 1 1 LYS N N 10.370 -5.872 -1.335 1.00 . A A . 58 LYS N 1 1 10 3902 1 1 1 LYS NZ N 12.697 -2.603 -5.033 1.00 . A A . 58 LYS NZ 1 1 10 3903 1 1 1 LYS O O 8.512 -5.434 0.743 1.00 . A A . 58 LYS O 1 1 10 3904 1 1 2 PRO C C 7.931 -3.296 3.029 1.00 . A A . 59 PRO C 1 1 10 3905 1 1 2 PRO CA C 9.368 -3.783 2.847 1.00 . A A . 59 PRO CA 1 1 10 3906 1 1 2 PRO CB C 10.336 -2.841 3.579 1.00 . A A . 59 PRO CB 1 1 10 3907 1 1 2 PRO CD C 10.793 -2.662 1.233 1.00 . A A . 59 PRO CD 1 1 10 3908 1 1 2 PRO CG C 11.407 -2.502 2.590 1.00 . A A . 59 PRO CG 1 1 10 3909 1 1 2 PRO HA H 9.456 -4.778 3.254 1.00 . A A . 59 PRO HA 1 1 10 3910 1 1 2 PRO HB2 H 9.803 -1.955 3.897 1.00 . A A . 59 PRO HB2 1 1 10 3911 1 1 2 PRO HB3 H 10.747 -3.348 4.443 1.00 . A A . 59 PRO HB3 1 1 10 3912 1 1 2 PRO HD2 H 10.303 -1.748 0.927 1.00 . A A . 59 PRO HD2 1 1 10 3913 1 1 2 PRO HD3 H 11.540 -2.955 0.511 1.00 . A A . 59 PRO HD3 1 1 10 3914 1 1 2 PRO HG2 H 11.729 -1.482 2.737 1.00 . A A . 59 PRO HG2 1 1 10 3915 1 1 2 PRO HG3 H 12.241 -3.178 2.705 1.00 . A A . 59 PRO HG3 1 1 10 3916 1 1 2 PRO N N 9.818 -3.737 1.447 1.00 . A A . 59 PRO N 1 1 10 3917 1 1 2 PRO O O 7.381 -3.339 4.133 1.00 . A A . 59 PRO O 1 1 10 3918 1 1 3 TYR C C 5.085 -3.012 0.971 1.00 . A A . 60 TYR C 1 1 10 3919 1 1 3 TYR CA C 5.973 -2.313 1.990 1.00 . A A . 60 TYR CA 1 1 10 3920 1 1 3 TYR CB C 5.979 -0.805 1.737 1.00 . A A . 60 TYR CB 1 1 10 3921 1 1 3 TYR CD1 C 5.797 0.455 3.918 1.00 . A A . 60 TYR CD1 1 1 10 3922 1 1 3 TYR CD2 C 7.929 0.279 2.877 1.00 . A A . 60 TYR CD2 1 1 10 3923 1 1 3 TYR CE1 C 6.354 1.194 4.943 1.00 . A A . 60 TYR CE1 1 1 10 3924 1 1 3 TYR CE2 C 8.495 1.016 3.893 1.00 . A A . 60 TYR CE2 1 1 10 3925 1 1 3 TYR CG C 6.577 -0.010 2.869 1.00 . A A . 60 TYR CG 1 1 10 3926 1 1 3 TYR CZ C 7.653 1.434 4.977 1.00 . A A . 60 TYR CZ 1 1 10 3927 1 1 3 TYR H H 7.808 -2.835 1.096 1.00 . A A . 60 TYR H 1 1 10 3928 1 1 3 TYR HA H 5.579 -2.500 2.978 1.00 . A A . 60 TYR HA 1 1 10 3929 1 1 3 TYR HB2 H 6.554 -0.597 0.848 1.00 . A A . 60 TYR HB2 1 1 10 3930 1 1 3 TYR HB3 H 4.965 -0.466 1.592 1.00 . A A . 60 TYR HB3 1 1 10 3931 1 1 3 TYR HD1 H 4.740 0.233 3.926 1.00 . A A . 60 TYR HD1 1 1 10 3932 1 1 3 TYR HD2 H 8.543 -0.081 2.063 1.00 . A A . 60 TYR HD2 1 1 10 3933 1 1 3 TYR HE1 H 5.733 1.549 5.751 1.00 . A A . 60 TYR HE1 1 1 10 3934 1 1 3 TYR HE2 H 9.553 1.230 3.880 1.00 . A A . 60 TYR HE2 1 1 10 3935 1 1 3 TYR HH H 8.803 2.915 5.557 1.00 . A A . 60 TYR HH 1 1 10 3936 1 1 3 TYR N N 7.328 -2.832 1.947 1.00 . A A . 60 TYR N 1 1 10 3937 1 1 3 TYR O O 5.084 -2.668 -0.210 1.00 . A A . 60 TYR O 1 1 10 3938 1 1 3 TYR OH O 8.270 2.204 5.941 1.00 . A A . 60 TYR OH 1 1 10 3939 1 1 4 VAL C C 2.040 -4.719 1.240 1.00 . A A . 61 VAL C 1 1 10 3940 1 1 4 VAL CA C 3.402 -4.699 0.577 1.00 . A A . 61 VAL CA 1 1 10 3941 1 1 4 VAL CB C 3.839 -6.144 0.278 1.00 . A A . 61 VAL CB 1 1 10 3942 1 1 4 VAL CG1 C 2.914 -6.774 -0.746 1.00 . A A . 61 VAL CG1 1 1 10 3943 1 1 4 VAL CG2 C 5.272 -6.170 -0.210 1.00 . A A . 61 VAL CG2 1 1 10 3944 1 1 4 VAL H H 4.446 -4.300 2.359 1.00 . A A . 61 VAL H 1 1 10 3945 1 1 4 VAL HA H 3.333 -4.159 -0.358 1.00 . A A . 61 VAL HA 1 1 10 3946 1 1 4 VAL HB H 3.777 -6.718 1.191 1.00 . A A . 61 VAL HB 1 1 10 3947 1 1 4 VAL HG11 H 3.204 -7.800 -0.913 1.00 . A A . 61 VAL HG11 1 1 10 3948 1 1 4 VAL HG12 H 2.984 -6.223 -1.675 1.00 . A A . 61 VAL HG12 1 1 10 3949 1 1 4 VAL HG13 H 1.898 -6.737 -0.381 1.00 . A A . 61 VAL HG13 1 1 10 3950 1 1 4 VAL HG21 H 5.917 -5.756 0.549 1.00 . A A . 61 VAL HG21 1 1 10 3951 1 1 4 VAL HG22 H 5.345 -5.577 -1.109 1.00 . A A . 61 VAL HG22 1 1 10 3952 1 1 4 VAL HG23 H 5.563 -7.188 -0.421 1.00 . A A . 61 VAL HG23 1 1 10 3953 1 1 4 VAL N N 4.350 -4.012 1.424 1.00 . A A . 61 VAL N 1 1 10 3954 1 1 4 VAL O O 1.928 -4.930 2.448 1.00 . A A . 61 VAL O 1 1 10 3955 1 1 5 CYS C C -0.757 -5.954 1.220 1.00 . A A . 62 CYS C 1 1 10 3956 1 1 5 CYS CA C -0.352 -4.522 0.943 1.00 . A A . 62 CYS CA 1 1 10 3957 1 1 5 CYS CB C -1.326 -3.902 -0.063 1.00 . A A . 62 CYS CB 1 1 10 3958 1 1 5 CYS H H 1.179 -4.286 -0.503 1.00 . A A . 62 CYS H 1 1 10 3959 1 1 5 CYS HA H -0.392 -3.963 1.868 1.00 . A A . 62 CYS HA 1 1 10 3960 1 1 5 CYS HB2 H -1.106 -2.857 -0.172 1.00 . A A . 62 CYS HB2 1 1 10 3961 1 1 5 CYS HB3 H -1.214 -4.396 -1.018 1.00 . A A . 62 CYS HB3 1 1 10 3962 1 1 5 CYS N N 1.012 -4.481 0.449 1.00 . A A . 62 CYS N 1 1 10 3963 1 1 5 CYS O O -1.066 -6.702 0.300 1.00 . A A . 62 CYS O 1 1 10 3964 1 1 5 CYS SG S -3.057 -4.016 0.411 1.00 . A A . 62 CYS SG 1 1 10 3965 1 1 6 GLU C C -2.666 -7.877 2.515 1.00 . A A . 63 GLU C 1 1 10 3966 1 1 6 GLU CA C -1.195 -7.667 2.878 1.00 . A A . 63 GLU CA 1 1 10 3967 1 1 6 GLU CB C -1.002 -7.846 4.385 1.00 . A A . 63 GLU CB 1 1 10 3968 1 1 6 GLU CD C -0.017 -10.161 4.376 1.00 . A A . 63 GLU CD 1 1 10 3969 1 1 6 GLU CG C -1.147 -9.280 4.862 1.00 . A A . 63 GLU CG 1 1 10 3970 1 1 6 GLU H H -0.460 -5.704 3.174 1.00 . A A . 63 GLU H 1 1 10 3971 1 1 6 GLU HA H -0.590 -8.387 2.349 1.00 . A A . 63 GLU HA 1 1 10 3972 1 1 6 GLU HB2 H -0.013 -7.504 4.650 1.00 . A A . 63 GLU HB2 1 1 10 3973 1 1 6 GLU HB3 H -1.732 -7.243 4.903 1.00 . A A . 63 GLU HB3 1 1 10 3974 1 1 6 GLU HG2 H -1.151 -9.290 5.942 1.00 . A A . 63 GLU HG2 1 1 10 3975 1 1 6 GLU HG3 H -2.081 -9.680 4.495 1.00 . A A . 63 GLU HG3 1 1 10 3976 1 1 6 GLU N N -0.766 -6.331 2.484 1.00 . A A . 63 GLU N 1 1 10 3977 1 1 6 GLU O O -3.159 -9.001 2.473 1.00 . A A . 63 GLU O 1 1 10 3978 1 1 6 GLU OE1 O -0.069 -10.602 3.212 1.00 . A A . 63 GLU OE1 1 1 10 3979 1 1 6 GLU OE2 O 0.927 -10.416 5.153 1.00 . A A . 63 GLU OE2 1 1 10 3980 1 1 7 ARG C C -5.153 -7.084 0.564 1.00 . A A . 64 ARG C 1 1 10 3981 1 1 7 ARG CA C -4.781 -6.789 2.025 1.00 . A A . 64 ARG CA 1 1 10 3982 1 1 7 ARG CB C -5.357 -5.458 2.508 1.00 . A A . 64 ARG CB 1 1 10 3983 1 1 7 ARG CD C -5.484 -3.845 4.469 1.00 . A A . 64 ARG CD 1 1 10 3984 1 1 7 ARG CG C -4.814 -5.075 3.877 1.00 . A A . 64 ARG CG 1 1 10 3985 1 1 7 ARG CZ C -5.461 -2.869 6.747 1.00 . A A . 64 ARG CZ 1 1 10 3986 1 1 7 ARG H H -2.879 -5.925 2.190 1.00 . A A . 64 ARG H 1 1 10 3987 1 1 7 ARG HA H -5.186 -7.576 2.640 1.00 . A A . 64 ARG HA 1 1 10 3988 1 1 7 ARG HB2 H -5.095 -4.683 1.802 1.00 . A A . 64 ARG HB2 1 1 10 3989 1 1 7 ARG HB3 H -6.426 -5.538 2.571 1.00 . A A . 64 ARG HB3 1 1 10 3990 1 1 7 ARG HD2 H -5.411 -3.029 3.761 1.00 . A A . 64 ARG HD2 1 1 10 3991 1 1 7 ARG HD3 H -6.524 -4.072 4.665 1.00 . A A . 64 ARG HD3 1 1 10 3992 1 1 7 ARG HE H -3.876 -3.638 5.805 1.00 . A A . 64 ARG HE 1 1 10 3993 1 1 7 ARG HG2 H -4.961 -5.904 4.550 1.00 . A A . 64 ARG HG2 1 1 10 3994 1 1 7 ARG HG3 H -3.756 -4.880 3.782 1.00 . A A . 64 ARG HG3 1 1 10 3995 1 1 7 ARG HH11 H -7.297 -2.836 5.871 1.00 . A A . 64 ARG HH11 1 1 10 3996 1 1 7 ARG HH12 H -7.213 -2.169 7.480 1.00 . A A . 64 ARG HH12 1 1 10 3997 1 1 7 ARG HH21 H -3.787 -2.745 7.890 1.00 . A A . 64 ARG HH21 1 1 10 3998 1 1 7 ARG HH22 H -5.241 -2.111 8.614 1.00 . A A . 64 ARG HH22 1 1 10 3999 1 1 7 ARG N N -3.351 -6.776 2.238 1.00 . A A . 64 ARG N 1 1 10 4000 1 1 7 ARG NE N -4.839 -3.452 5.721 1.00 . A A . 64 ARG NE 1 1 10 4001 1 1 7 ARG NH1 N -6.759 -2.603 6.695 1.00 . A A . 64 ARG NH1 1 1 10 4002 1 1 7 ARG NH2 N -4.775 -2.551 7.836 1.00 . A A . 64 ARG NH2 1 1 10 4003 1 1 7 ARG O O -6.209 -7.671 0.312 1.00 . A A . 64 ARG O 1 1 10 4004 1 1 8 CYS C C -3.357 -7.559 -2.561 1.00 . A A . 65 CYS C 1 1 10 4005 1 1 8 CYS CA C -4.609 -7.110 -1.792 1.00 . A A . 65 CYS CA 1 1 10 4006 1 1 8 CYS CB C -5.370 -6.022 -2.564 1.00 . A A . 65 CYS CB 1 1 10 4007 1 1 8 CYS H H -3.525 -6.135 -0.209 1.00 . A A . 65 CYS H 1 1 10 4008 1 1 8 CYS HA H -5.259 -7.971 -1.715 1.00 . A A . 65 CYS HA 1 1 10 4009 1 1 8 CYS HB2 H -5.739 -6.444 -3.486 1.00 . A A . 65 CYS HB2 1 1 10 4010 1 1 8 CYS HB3 H -6.209 -5.689 -1.964 1.00 . A A . 65 CYS HB3 1 1 10 4011 1 1 8 CYS N N -4.318 -6.698 -0.413 1.00 . A A . 65 CYS N 1 1 10 4012 1 1 8 CYS O O -3.439 -7.900 -3.740 1.00 . A A . 65 CYS O 1 1 10 4013 1 1 8 CYS SG S -4.400 -4.565 -2.991 1.00 . A A . 65 CYS SG 1 1 10 4014 1 1 9 GLY C C -0.194 -7.232 -3.348 1.00 . A A . 66 GLY C 1 1 10 4015 1 1 9 GLY CA C -1.009 -8.161 -2.462 1.00 . A A . 66 GLY CA 1 1 10 4016 1 1 9 GLY H H -2.172 -7.173 -0.993 1.00 . A A . 66 GLY H 1 1 10 4017 1 1 9 GLY HA2 H -0.377 -8.493 -1.649 1.00 . A A . 66 GLY HA2 1 1 10 4018 1 1 9 GLY HA3 H -1.299 -9.022 -3.043 1.00 . A A . 66 GLY HA3 1 1 10 4019 1 1 9 GLY N N -2.209 -7.563 -1.892 1.00 . A A . 66 GLY N 1 1 10 4020 1 1 9 GLY O O 0.774 -7.671 -3.972 1.00 . A A . 66 GLY O 1 1 10 4021 1 1 10 LYS C C 1.165 -4.256 -3.302 1.00 . A A . 67 LYS C 1 1 10 4022 1 1 10 LYS CA C 0.213 -5.012 -4.207 1.00 . A A . 67 LYS CA 1 1 10 4023 1 1 10 LYS CB C -0.681 -4.031 -4.963 1.00 . A A . 67 LYS CB 1 1 10 4024 1 1 10 LYS CD C -1.132 -5.771 -6.740 1.00 . A A . 67 LYS CD 1 1 10 4025 1 1 10 LYS CE C -0.189 -5.177 -7.777 1.00 . A A . 67 LYS CE 1 1 10 4026 1 1 10 LYS CG C -1.731 -4.705 -5.827 1.00 . A A . 67 LYS CG 1 1 10 4027 1 1 10 LYS H H -1.361 -5.662 -2.944 1.00 . A A . 67 LYS H 1 1 10 4028 1 1 10 LYS HA H 0.795 -5.578 -4.920 1.00 . A A . 67 LYS HA 1 1 10 4029 1 1 10 LYS HB2 H -1.186 -3.399 -4.248 1.00 . A A . 67 LYS HB2 1 1 10 4030 1 1 10 LYS HB3 H -0.062 -3.418 -5.600 1.00 . A A . 67 LYS HB3 1 1 10 4031 1 1 10 LYS HD2 H -0.582 -6.476 -6.137 1.00 . A A . 67 LYS HD2 1 1 10 4032 1 1 10 LYS HD3 H -1.935 -6.282 -7.250 1.00 . A A . 67 LYS HD3 1 1 10 4033 1 1 10 LYS HE2 H -0.750 -4.514 -8.417 1.00 . A A . 67 LYS HE2 1 1 10 4034 1 1 10 LYS HE3 H 0.581 -4.617 -7.265 1.00 . A A . 67 LYS HE3 1 1 10 4035 1 1 10 LYS HG2 H -2.460 -5.169 -5.184 1.00 . A A . 67 LYS HG2 1 1 10 4036 1 1 10 LYS HG3 H -2.207 -3.954 -6.433 1.00 . A A . 67 LYS HG3 1 1 10 4037 1 1 10 LYS HZ1 H -0.272 -6.761 -9.138 1.00 . A A . 67 LYS HZ1 1 1 10 4038 1 1 10 LYS HZ2 H 0.973 -6.898 -8.001 1.00 . A A . 67 LYS HZ2 1 1 10 4039 1 1 10 LYS HZ3 H 1.114 -5.802 -9.287 1.00 . A A . 67 LYS HZ3 1 1 10 4040 1 1 10 LYS N N -0.566 -5.962 -3.423 1.00 . A A . 67 LYS N 1 1 10 4041 1 1 10 LYS NZ N 0.450 -6.231 -8.608 1.00 . A A . 67 LYS NZ 1 1 10 4042 1 1 10 LYS O O 0.833 -3.939 -2.164 1.00 . A A . 67 LYS O 1 1 10 4043 1 1 11 ARG C C 3.844 -2.025 -3.438 1.00 . A A . 68 ARG C 1 1 10 4044 1 1 11 ARG CA C 3.400 -3.413 -2.985 1.00 . A A . 68 ARG CA 1 1 10 4045 1 1 11 ARG CB C 4.582 -4.363 -2.977 1.00 . A A . 68 ARG CB 1 1 10 4046 1 1 11 ARG CD C 6.248 -5.673 -4.298 1.00 . A A . 68 ARG CD 1 1 10 4047 1 1 11 ARG CG C 5.055 -4.739 -4.352 1.00 . A A . 68 ARG CG 1 1 10 4048 1 1 11 ARG CZ C 6.629 -7.389 -6.031 1.00 . A A . 68 ARG CZ 1 1 10 4049 1 1 11 ARG H H 2.512 -4.138 -4.757 1.00 . A A . 68 ARG H 1 1 10 4050 1 1 11 ARG HA H 3.022 -3.338 -1.984 1.00 . A A . 68 ARG HA 1 1 10 4051 1 1 11 ARG HB2 H 5.397 -3.889 -2.468 1.00 . A A . 68 ARG HB2 1 1 10 4052 1 1 11 ARG HB3 H 4.304 -5.267 -2.452 1.00 . A A . 68 ARG HB3 1 1 10 4053 1 1 11 ARG HD2 H 7.075 -5.156 -3.833 1.00 . A A . 68 ARG HD2 1 1 10 4054 1 1 11 ARG HD3 H 5.985 -6.536 -3.705 1.00 . A A . 68 ARG HD3 1 1 10 4055 1 1 11 ARG HE H 6.952 -5.425 -6.264 1.00 . A A . 68 ARG HE 1 1 10 4056 1 1 11 ARG HG2 H 4.247 -5.233 -4.871 1.00 . A A . 68 ARG HG2 1 1 10 4057 1 1 11 ARG HG3 H 5.331 -3.838 -4.871 1.00 . A A . 68 ARG HG3 1 1 10 4058 1 1 11 ARG HH11 H 5.999 -8.129 -4.247 1.00 . A A . 68 ARG HH11 1 1 10 4059 1 1 11 ARG HH12 H 6.237 -9.314 -5.501 1.00 . A A . 68 ARG HH12 1 1 10 4060 1 1 11 ARG HH21 H 7.252 -6.972 -7.916 1.00 . A A . 68 ARG HH21 1 1 10 4061 1 1 11 ARG HH22 H 6.970 -8.658 -7.578 1.00 . A A . 68 ARG HH22 1 1 10 4062 1 1 11 ARG N N 2.344 -3.969 -3.809 1.00 . A A . 68 ARG N 1 1 10 4063 1 1 11 ARG NE N 6.654 -6.117 -5.629 1.00 . A A . 68 ARG NE 1 1 10 4064 1 1 11 ARG NH1 N 6.260 -8.350 -5.191 1.00 . A A . 68 ARG NH1 1 1 10 4065 1 1 11 ARG NH2 N 6.975 -7.697 -7.272 1.00 . A A . 68 ARG NH2 1 1 10 4066 1 1 11 ARG O O 3.526 -1.578 -4.541 1.00 . A A . 68 ARG O 1 1 10 4067 1 1 12 PHE C C 6.440 0.131 -2.085 1.00 . A A . 69 PHE C 1 1 10 4068 1 1 12 PHE CA C 5.094 -0.024 -2.759 1.00 . A A . 69 PHE CA 1 1 10 4069 1 1 12 PHE CB C 4.095 0.985 -2.197 1.00 . A A . 69 PHE CB 1 1 10 4070 1 1 12 PHE CD1 C 3.313 2.373 -4.128 1.00 . A A . 69 PHE CD1 1 1 10 4071 1 1 12 PHE CD2 C 1.815 0.756 -3.222 1.00 . A A . 69 PHE CD2 1 1 10 4072 1 1 12 PHE CE1 C 2.364 2.738 -5.060 1.00 . A A . 69 PHE CE1 1 1 10 4073 1 1 12 PHE CE2 C 0.861 1.118 -4.153 1.00 . A A . 69 PHE CE2 1 1 10 4074 1 1 12 PHE CG C 3.050 1.381 -3.198 1.00 . A A . 69 PHE CG 1 1 10 4075 1 1 12 PHE CZ C 1.137 2.107 -5.075 1.00 . A A . 69 PHE CZ 1 1 10 4076 1 1 12 PHE H H 4.872 -1.838 -1.743 1.00 . A A . 69 PHE H 1 1 10 4077 1 1 12 PHE HA H 5.219 0.157 -3.813 1.00 . A A . 69 PHE HA 1 1 10 4078 1 1 12 PHE HB2 H 3.594 0.547 -1.345 1.00 . A A . 69 PHE HB2 1 1 10 4079 1 1 12 PHE HB3 H 4.620 1.875 -1.882 1.00 . A A . 69 PHE HB3 1 1 10 4080 1 1 12 PHE HD1 H 4.275 2.866 -4.119 1.00 . A A . 69 PHE HD1 1 1 10 4081 1 1 12 PHE HD2 H 1.600 -0.020 -2.502 1.00 . A A . 69 PHE HD2 1 1 10 4082 1 1 12 PHE HE1 H 2.582 3.514 -5.779 1.00 . A A . 69 PHE HE1 1 1 10 4083 1 1 12 PHE HE2 H -0.098 0.623 -4.162 1.00 . A A . 69 PHE HE2 1 1 10 4084 1 1 12 PHE HZ H 0.392 2.391 -5.802 1.00 . A A . 69 PHE HZ 1 1 10 4085 1 1 12 PHE N N 4.608 -1.376 -2.566 1.00 . A A . 69 PHE N 1 1 10 4086 1 1 12 PHE O O 6.761 -0.562 -1.128 1.00 . A A . 69 PHE O 1 1 10 4087 1 1 13 VAL C C 8.488 2.314 -1.009 1.00 . A A . 70 VAL C 1 1 10 4088 1 1 13 VAL CA C 8.551 1.282 -2.128 1.00 . A A . 70 VAL CA 1 1 10 4089 1 1 13 VAL CB C 9.436 1.797 -3.275 1.00 . A A . 70 VAL CB 1 1 10 4090 1 1 13 VAL CG1 C 10.784 2.212 -2.759 1.00 . A A . 70 VAL CG1 1 1 10 4091 1 1 13 VAL CG2 C 9.578 0.742 -4.362 1.00 . A A . 70 VAL CG2 1 1 10 4092 1 1 13 VAL H H 6.939 1.497 -3.418 1.00 . A A . 70 VAL H 1 1 10 4093 1 1 13 VAL HA H 8.972 0.363 -1.750 1.00 . A A . 70 VAL HA 1 1 10 4094 1 1 13 VAL HB H 8.961 2.663 -3.708 1.00 . A A . 70 VAL HB 1 1 10 4095 1 1 13 VAL HG11 H 11.394 2.544 -3.583 1.00 . A A . 70 VAL HG11 1 1 10 4096 1 1 13 VAL HG12 H 11.250 1.372 -2.273 1.00 . A A . 70 VAL HG12 1 1 10 4097 1 1 13 VAL HG13 H 10.653 3.015 -2.055 1.00 . A A . 70 VAL HG13 1 1 10 4098 1 1 13 VAL HG21 H 8.600 0.463 -4.723 1.00 . A A . 70 VAL HG21 1 1 10 4099 1 1 13 VAL HG22 H 10.074 -0.128 -3.956 1.00 . A A . 70 VAL HG22 1 1 10 4100 1 1 13 VAL HG23 H 10.161 1.142 -5.178 1.00 . A A . 70 VAL HG23 1 1 10 4101 1 1 13 VAL N N 7.236 1.014 -2.633 1.00 . A A . 70 VAL N 1 1 10 4102 1 1 13 VAL O O 9.293 2.293 -0.076 1.00 . A A . 70 VAL O 1 1 10 4103 1 1 14 GLN C C 6.402 4.020 0.913 1.00 . A A . 71 GLN C 1 1 10 4104 1 1 14 GLN CA C 7.421 4.303 -0.181 1.00 . A A . 71 GLN CA 1 1 10 4105 1 1 14 GLN CB C 7.027 5.528 -0.977 1.00 . A A . 71 GLN CB 1 1 10 4106 1 1 14 GLN CD C 7.814 7.218 -2.685 1.00 . A A . 71 GLN CD 1 1 10 4107 1 1 14 GLN CG C 7.996 5.829 -2.106 1.00 . A A . 71 GLN CG 1 1 10 4108 1 1 14 GLN H H 6.851 3.147 -1.801 1.00 . A A . 71 GLN H 1 1 10 4109 1 1 14 GLN HA H 8.389 4.465 0.262 1.00 . A A . 71 GLN HA 1 1 10 4110 1 1 14 GLN HB2 H 6.042 5.368 -1.404 1.00 . A A . 71 GLN HB2 1 1 10 4111 1 1 14 GLN HB3 H 6.998 6.363 -0.319 1.00 . A A . 71 GLN HB3 1 1 10 4112 1 1 14 GLN HE21 H 6.618 6.498 -4.100 1.00 . A A . 71 GLN HE21 1 1 10 4113 1 1 14 GLN HE22 H 6.900 8.206 -4.141 1.00 . A A . 71 GLN HE22 1 1 10 4114 1 1 14 GLN HG2 H 8.998 5.731 -1.734 1.00 . A A . 71 GLN HG2 1 1 10 4115 1 1 14 GLN HG3 H 7.838 5.108 -2.894 1.00 . A A . 71 GLN HG3 1 1 10 4116 1 1 14 GLN N N 7.518 3.210 -1.095 1.00 . A A . 71 GLN N 1 1 10 4117 1 1 14 GLN NE2 N 7.032 7.319 -3.748 1.00 . A A . 71 GLN NE2 1 1 10 4118 1 1 14 GLN O O 5.314 3.512 0.640 1.00 . A A . 71 GLN O 1 1 10 4119 1 1 14 GLN OE1 O 8.392 8.185 -2.195 1.00 . A A . 71 GLN OE1 1 1 10 4120 1 1 15 SER C C 4.534 4.817 3.059 1.00 . A A . 72 SER C 1 1 10 4121 1 1 15 SER CA C 5.898 4.178 3.303 1.00 . A A . 72 SER CA 1 1 10 4122 1 1 15 SER CB C 6.552 4.811 4.533 1.00 . A A . 72 SER CB 1 1 10 4123 1 1 15 SER H H 7.661 4.740 2.289 1.00 . A A . 72 SER H 1 1 10 4124 1 1 15 SER HA H 5.771 3.119 3.473 1.00 . A A . 72 SER HA 1 1 10 4125 1 1 15 SER HB2 H 6.446 5.885 4.482 1.00 . A A . 72 SER HB2 1 1 10 4126 1 1 15 SER HB3 H 6.067 4.445 5.426 1.00 . A A . 72 SER HB3 1 1 10 4127 1 1 15 SER HG H 8.045 3.648 5.069 1.00 . A A . 72 SER HG 1 1 10 4128 1 1 15 SER N N 6.768 4.360 2.146 1.00 . A A . 72 SER N 1 1 10 4129 1 1 15 SER O O 3.493 4.176 3.214 1.00 . A A . 72 SER O 1 1 10 4130 1 1 15 SER OG O 7.932 4.492 4.597 1.00 . A A . 72 SER OG 1 1 10 4131 1 1 16 SER C C 2.522 6.193 1.283 1.00 . A A . 73 SER C 1 1 10 4132 1 1 16 SER CA C 3.348 6.831 2.395 1.00 . A A . 73 SER CA 1 1 10 4133 1 1 16 SER CB C 3.718 8.266 2.021 1.00 . A A . 73 SER CB 1 1 10 4134 1 1 16 SER H H 5.425 6.517 2.529 1.00 . A A . 73 SER H 1 1 10 4135 1 1 16 SER HA H 2.765 6.844 3.302 1.00 . A A . 73 SER HA 1 1 10 4136 1 1 16 SER HB2 H 4.106 8.286 1.014 1.00 . A A . 73 SER HB2 1 1 10 4137 1 1 16 SER HB3 H 2.840 8.892 2.085 1.00 . A A . 73 SER HB3 1 1 10 4138 1 1 16 SER HG H 4.754 9.735 2.815 1.00 . A A . 73 SER HG 1 1 10 4139 1 1 16 SER N N 4.560 6.075 2.650 1.00 . A A . 73 SER N 1 1 10 4140 1 1 16 SER O O 1.305 6.103 1.386 1.00 . A A . 73 SER O 1 1 10 4141 1 1 16 SER OG O 4.704 8.766 2.905 1.00 . A A . 73 SER OG 1 1 10 4142 1 1 17 GLN C C 1.808 3.898 -0.647 1.00 . A A . 74 GLN C 1 1 10 4143 1 1 17 GLN CA C 2.534 5.197 -0.936 1.00 . A A . 74 GLN CA 1 1 10 4144 1 1 17 GLN CB C 3.548 5.000 -2.061 1.00 . A A . 74 GLN CB 1 1 10 4145 1 1 17 GLN CD C 3.012 6.918 -3.606 1.00 . A A . 74 GLN CD 1 1 10 4146 1 1 17 GLN CG C 4.034 6.298 -2.680 1.00 . A A . 74 GLN CG 1 1 10 4147 1 1 17 GLN H H 4.169 5.602 0.321 1.00 . A A . 74 GLN H 1 1 10 4148 1 1 17 GLN HA H 1.812 5.940 -1.240 1.00 . A A . 74 GLN HA 1 1 10 4149 1 1 17 GLN HB2 H 4.406 4.474 -1.665 1.00 . A A . 74 GLN HB2 1 1 10 4150 1 1 17 GLN HB3 H 3.092 4.403 -2.840 1.00 . A A . 74 GLN HB3 1 1 10 4151 1 1 17 GLN HE21 H 2.237 7.974 -2.106 1.00 . A A . 74 GLN HE21 1 1 10 4152 1 1 17 GLN HE22 H 1.492 8.191 -3.657 1.00 . A A . 74 GLN HE22 1 1 10 4153 1 1 17 GLN HG2 H 4.252 6.998 -1.888 1.00 . A A . 74 GLN HG2 1 1 10 4154 1 1 17 GLN HG3 H 4.936 6.098 -3.241 1.00 . A A . 74 GLN HG3 1 1 10 4155 1 1 17 GLN N N 3.200 5.688 0.257 1.00 . A A . 74 GLN N 1 1 10 4156 1 1 17 GLN NE2 N 2.164 7.779 -3.070 1.00 . A A . 74 GLN NE2 1 1 10 4157 1 1 17 GLN O O 0.793 3.594 -1.268 1.00 . A A . 74 GLN O 1 1 10 4158 1 1 17 GLN OE1 O 2.992 6.631 -4.804 1.00 . A A . 74 GLN OE1 1 1 10 4159 1 1 18 LEU C C 0.332 2.215 1.356 1.00 . A A . 75 LEU C 1 1 10 4160 1 1 18 LEU CA C 1.673 1.912 0.719 1.00 . A A . 75 LEU CA 1 1 10 4161 1 1 18 LEU CB C 2.542 1.127 1.705 1.00 . A A . 75 LEU CB 1 1 10 4162 1 1 18 LEU CD1 C 1.337 -0.986 1.218 1.00 . A A . 75 LEU CD1 1 1 10 4163 1 1 18 LEU CD2 C 2.763 -0.851 3.245 1.00 . A A . 75 LEU CD2 1 1 10 4164 1 1 18 LEU CG C 1.842 -0.086 2.316 1.00 . A A . 75 LEU CG 1 1 10 4165 1 1 18 LEU H H 3.161 3.413 0.746 1.00 . A A . 75 LEU H 1 1 10 4166 1 1 18 LEU HA H 1.501 1.318 -0.164 1.00 . A A . 75 LEU HA 1 1 10 4167 1 1 18 LEU HB2 H 3.432 0.786 1.187 1.00 . A A . 75 LEU HB2 1 1 10 4168 1 1 18 LEU HB3 H 2.836 1.791 2.505 1.00 . A A . 75 LEU HB3 1 1 10 4169 1 1 18 LEU HD11 H 0.804 -1.818 1.650 1.00 . A A . 75 LEU HD11 1 1 10 4170 1 1 18 LEU HD12 H 2.173 -1.348 0.641 1.00 . A A . 75 LEU HD12 1 1 10 4171 1 1 18 LEU HD13 H 0.672 -0.417 0.583 1.00 . A A . 75 LEU HD13 1 1 10 4172 1 1 18 LEU HD21 H 2.969 -0.252 4.119 1.00 . A A . 75 LEU HD21 1 1 10 4173 1 1 18 LEU HD22 H 3.689 -1.069 2.730 1.00 . A A . 75 LEU HD22 1 1 10 4174 1 1 18 LEU HD23 H 2.290 -1.775 3.544 1.00 . A A . 75 LEU HD23 1 1 10 4175 1 1 18 LEU HG H 0.990 0.250 2.888 1.00 . A A . 75 LEU HG 1 1 10 4176 1 1 18 LEU N N 2.324 3.139 0.309 1.00 . A A . 75 LEU N 1 1 10 4177 1 1 18 LEU O O -0.697 1.698 0.936 1.00 . A A . 75 LEU O 1 1 10 4178 1 1 19 ALA C C -1.708 4.315 2.090 1.00 . A A . 76 ALA C 1 1 10 4179 1 1 19 ALA CA C -0.879 3.452 3.024 1.00 . A A . 76 ALA CA 1 1 10 4180 1 1 19 ALA CB C -0.586 4.175 4.326 1.00 . A A . 76 ALA CB 1 1 10 4181 1 1 19 ALA H H 1.211 3.352 2.715 1.00 . A A . 76 ALA H 1 1 10 4182 1 1 19 ALA HA H -1.451 2.551 3.250 1.00 . A A . 76 ALA HA 1 1 10 4183 1 1 19 ALA HB1 H -0.031 5.079 4.118 1.00 . A A . 76 ALA HB1 1 1 10 4184 1 1 19 ALA HB2 H 0.001 3.535 4.968 1.00 . A A . 76 ALA HB2 1 1 10 4185 1 1 19 ALA HB3 H -1.513 4.425 4.817 1.00 . A A . 76 ALA HB3 1 1 10 4186 1 1 19 ALA N N 0.352 3.041 2.375 1.00 . A A . 76 ALA N 1 1 10 4187 1 1 19 ALA O O -2.918 4.397 2.240 1.00 . A A . 76 ALA O 1 1 10 4188 1 1 20 ASN C C -2.594 4.590 -0.728 1.00 . A A . 77 ASN C 1 1 10 4189 1 1 20 ASN CA C -1.788 5.625 0.046 1.00 . A A . 77 ASN CA 1 1 10 4190 1 1 20 ASN CB C -0.823 6.365 -0.890 1.00 . A A . 77 ASN CB 1 1 10 4191 1 1 20 ASN CG C -1.516 6.963 -2.099 1.00 . A A . 77 ASN CG 1 1 10 4192 1 1 20 ASN H H -0.065 4.999 1.135 1.00 . A A . 77 ASN H 1 1 10 4193 1 1 20 ASN HA H -2.467 6.336 0.495 1.00 . A A . 77 ASN HA 1 1 10 4194 1 1 20 ASN HB2 H -0.346 7.165 -0.344 1.00 . A A . 77 ASN HB2 1 1 10 4195 1 1 20 ASN HB3 H -0.067 5.676 -1.235 1.00 . A A . 77 ASN HB3 1 1 10 4196 1 1 20 ASN HD21 H -1.032 5.372 -3.193 1.00 . A A . 77 ASN HD21 1 1 10 4197 1 1 20 ASN HD22 H -1.922 6.618 -4.018 1.00 . A A . 77 ASN HD22 1 1 10 4198 1 1 20 ASN N N -1.059 4.956 1.119 1.00 . A A . 77 ASN N 1 1 10 4199 1 1 20 ASN ND2 N -1.490 6.244 -3.212 1.00 . A A . 77 ASN ND2 1 1 10 4200 1 1 20 ASN O O -3.750 4.814 -1.093 1.00 . A A . 77 ASN O 1 1 10 4201 1 1 20 ASN OD1 O -2.052 8.068 -2.038 1.00 . A A . 77 ASN OD1 1 1 10 4202 1 1 21 HIS C C -3.726 1.754 -0.675 1.00 . A A . 78 HIS C 1 1 10 4203 1 1 21 HIS CA C -2.615 2.305 -1.575 1.00 . A A . 78 HIS CA 1 1 10 4204 1 1 21 HIS CB C -1.546 1.244 -1.858 1.00 . A A . 78 HIS CB 1 1 10 4205 1 1 21 HIS CD2 C -2.360 -1.151 -1.478 1.00 . A A . 78 HIS CD2 1 1 10 4206 1 1 21 HIS CE1 C -2.718 -1.741 -3.529 1.00 . A A . 78 HIS CE1 1 1 10 4207 1 1 21 HIS CG C -2.061 -0.091 -2.252 1.00 . A A . 78 HIS CG 1 1 10 4208 1 1 21 HIS H H -1.024 3.353 -0.672 1.00 . A A . 78 HIS H 1 1 10 4209 1 1 21 HIS HA H -3.047 2.632 -2.507 1.00 . A A . 78 HIS HA 1 1 10 4210 1 1 21 HIS HB2 H -0.917 1.592 -2.661 1.00 . A A . 78 HIS HB2 1 1 10 4211 1 1 21 HIS HB3 H -0.941 1.114 -0.965 1.00 . A A . 78 HIS HB3 1 1 10 4212 1 1 21 HIS HD1 H -2.173 0.085 -4.356 1.00 . A A . 78 HIS HD1 1 1 10 4213 1 1 21 HIS HD2 H -2.294 -1.181 -0.403 1.00 . A A . 78 HIS HD2 1 1 10 4214 1 1 21 HIS HE1 H -2.977 -2.314 -4.408 1.00 . A A . 78 HIS HE1 1 1 10 4215 1 1 21 HIS N N -1.970 3.443 -0.948 1.00 . A A . 78 HIS N 1 1 10 4216 1 1 21 HIS ND1 N -2.294 -0.478 -3.550 1.00 . A A . 78 HIS ND1 1 1 10 4217 1 1 21 HIS NE2 N -2.777 -2.204 -2.284 1.00 . A A . 78 HIS NE2 1 1 10 4218 1 1 21 HIS O O -4.815 1.418 -1.145 1.00 . A A . 78 HIS O 1 1 10 4219 1 1 22 ILE C C -5.576 2.168 1.722 1.00 . A A . 79 ILE C 1 1 10 4220 1 1 22 ILE CA C -4.411 1.196 1.597 1.00 . A A . 79 ILE CA 1 1 10 4221 1 1 22 ILE CB C -3.771 1.020 2.986 1.00 . A A . 79 ILE CB 1 1 10 4222 1 1 22 ILE CD1 C -2.748 -1.227 2.426 1.00 . A A . 79 ILE CD1 1 1 10 4223 1 1 22 ILE CG1 C -2.501 0.184 2.888 1.00 . A A . 79 ILE CG1 1 1 10 4224 1 1 22 ILE CG2 C -4.756 0.361 3.936 1.00 . A A . 79 ILE CG2 1 1 10 4225 1 1 22 ILE H H -2.549 1.938 0.932 1.00 . A A . 79 ILE H 1 1 10 4226 1 1 22 ILE HA H -4.781 0.233 1.264 1.00 . A A . 79 ILE HA 1 1 10 4227 1 1 22 ILE HB H -3.526 1.997 3.374 1.00 . A A . 79 ILE HB 1 1 10 4228 1 1 22 ILE HD11 H -1.814 -1.765 2.403 1.00 . A A . 79 ILE HD11 1 1 10 4229 1 1 22 ILE HD12 H -3.179 -1.205 1.435 1.00 . A A . 79 ILE HD12 1 1 10 4230 1 1 22 ILE HD13 H -3.431 -1.710 3.106 1.00 . A A . 79 ILE HD13 1 1 10 4231 1 1 22 ILE HG12 H -1.831 0.646 2.178 1.00 . A A . 79 ILE HG12 1 1 10 4232 1 1 22 ILE HG13 H -2.027 0.139 3.862 1.00 . A A . 79 ILE HG13 1 1 10 4233 1 1 22 ILE HG21 H -5.639 0.976 4.022 1.00 . A A . 79 ILE HG21 1 1 10 4234 1 1 22 ILE HG22 H -4.297 0.247 4.906 1.00 . A A . 79 ILE HG22 1 1 10 4235 1 1 22 ILE HG23 H -5.029 -0.609 3.548 1.00 . A A . 79 ILE HG23 1 1 10 4236 1 1 22 ILE N N -3.443 1.676 0.622 1.00 . A A . 79 ILE N 1 1 10 4237 1 1 22 ILE O O -6.703 1.764 1.983 1.00 . A A . 79 ILE O 1 1 10 4238 1 1 23 ARG C C -7.430 4.239 0.589 1.00 . A A . 80 ARG C 1 1 10 4239 1 1 23 ARG CA C -6.311 4.475 1.597 1.00 . A A . 80 ARG CA 1 1 10 4240 1 1 23 ARG CB C -5.653 5.813 1.348 1.00 . A A . 80 ARG CB 1 1 10 4241 1 1 23 ARG CD C -6.315 6.848 3.538 1.00 . A A . 80 ARG CD 1 1 10 4242 1 1 23 ARG CG C -5.162 6.494 2.610 1.00 . A A . 80 ARG CG 1 1 10 4243 1 1 23 ARG CZ C -8.063 8.558 3.155 1.00 . A A . 80 ARG CZ 1 1 10 4244 1 1 23 ARG H H -4.364 3.740 1.411 1.00 . A A . 80 ARG H 1 1 10 4245 1 1 23 ARG HA H -6.730 4.476 2.591 1.00 . A A . 80 ARG HA 1 1 10 4246 1 1 23 ARG HB2 H -4.805 5.665 0.694 1.00 . A A . 80 ARG HB2 1 1 10 4247 1 1 23 ARG HB3 H -6.354 6.453 0.864 1.00 . A A . 80 ARG HB3 1 1 10 4248 1 1 23 ARG HD2 H -6.641 5.950 4.041 1.00 . A A . 80 ARG HD2 1 1 10 4249 1 1 23 ARG HD3 H -5.965 7.561 4.269 1.00 . A A . 80 ARG HD3 1 1 10 4250 1 1 23 ARG HE H -7.782 6.931 2.033 1.00 . A A . 80 ARG HE 1 1 10 4251 1 1 23 ARG HG2 H -4.489 5.825 3.130 1.00 . A A . 80 ARG HG2 1 1 10 4252 1 1 23 ARG HG3 H -4.636 7.389 2.336 1.00 . A A . 80 ARG HG3 1 1 10 4253 1 1 23 ARG HH11 H -6.833 8.968 4.727 1.00 . A A . 80 ARG HH11 1 1 10 4254 1 1 23 ARG HH12 H -8.101 10.133 4.448 1.00 . A A . 80 ARG HH12 1 1 10 4255 1 1 23 ARG HH21 H -9.437 8.431 1.663 1.00 . A A . 80 ARG HH21 1 1 10 4256 1 1 23 ARG HH22 H -9.581 9.833 2.693 1.00 . A A . 80 ARG HH22 1 1 10 4257 1 1 23 ARG N N -5.297 3.453 1.545 1.00 . A A . 80 ARG N 1 1 10 4258 1 1 23 ARG NE N -7.449 7.426 2.814 1.00 . A A . 80 ARG NE 1 1 10 4259 1 1 23 ARG NH1 N -7.632 9.275 4.190 1.00 . A A . 80 ARG NH1 1 1 10 4260 1 1 23 ARG NH2 N -9.110 8.973 2.451 1.00 . A A . 80 ARG NH2 1 1 10 4261 1 1 23 ARG O O -8.560 4.676 0.801 1.00 . A A . 80 ARG O 1 1 10 4262 1 1 24 HIS C C -8.886 1.974 -1.152 1.00 . A A . 81 HIS C 1 1 10 4263 1 1 24 HIS CA C -8.135 3.253 -1.509 1.00 . A A . 81 HIS CA 1 1 10 4264 1 1 24 HIS CB C -7.512 3.135 -2.896 1.00 . A A . 81 HIS CB 1 1 10 4265 1 1 24 HIS CD2 C -8.220 3.803 -5.296 1.00 . A A . 81 HIS CD2 1 1 10 4266 1 1 24 HIS CE1 C -10.352 4.138 -4.928 1.00 . A A . 81 HIS CE1 1 1 10 4267 1 1 24 HIS CG C -8.451 3.541 -3.991 1.00 . A A . 81 HIS CG 1 1 10 4268 1 1 24 HIS H H -6.208 3.224 -0.628 1.00 . A A . 81 HIS H 1 1 10 4269 1 1 24 HIS HA H -8.837 4.074 -1.512 1.00 . A A . 81 HIS HA 1 1 10 4270 1 1 24 HIS HB2 H -6.641 3.771 -2.947 1.00 . A A . 81 HIS HB2 1 1 10 4271 1 1 24 HIS HB3 H -7.218 2.110 -3.069 1.00 . A A . 81 HIS HB3 1 1 10 4272 1 1 24 HIS HD1 H -10.287 3.647 -2.938 1.00 . A A . 81 HIS HD1 1 1 10 4273 1 1 24 HIS HD2 H -7.269 3.730 -5.804 1.00 . A A . 81 HIS HD2 1 1 10 4274 1 1 24 HIS HE1 H -11.393 4.378 -5.074 1.00 . A A . 81 HIS HE1 1 1 10 4275 1 1 24 HIS HE2 H -9.500 4.665 -6.712 1.00 . A A . 81 HIS HE2 1 1 10 4276 1 1 24 HIS N N -7.124 3.543 -0.502 1.00 . A A . 81 HIS N 1 1 10 4277 1 1 24 HIS ND1 N -9.800 3.757 -3.792 1.00 . A A . 81 HIS ND1 1 1 10 4278 1 1 24 HIS NE2 N -9.415 4.177 -5.857 1.00 . A A . 81 HIS NE2 1 1 10 4279 1 1 24 HIS O O -9.714 1.484 -1.917 1.00 . A A . 81 HIS O 1 1 10 4280 1 1 25 HIS C C -10.439 0.899 1.458 1.00 . A A . 82 HIS C 1 1 10 4281 1 1 25 HIS CA C -9.334 0.333 0.577 1.00 . A A . 82 HIS CA 1 1 10 4282 1 1 25 HIS CB C -8.415 -0.607 1.364 1.00 . A A . 82 HIS CB 1 1 10 4283 1 1 25 HIS CD2 C -6.450 -2.110 0.639 1.00 . A A . 82 HIS CD2 1 1 10 4284 1 1 25 HIS CE1 C -7.305 -2.993 -1.146 1.00 . A A . 82 HIS CE1 1 1 10 4285 1 1 25 HIS CG C -7.690 -1.589 0.503 1.00 . A A . 82 HIS CG 1 1 10 4286 1 1 25 HIS H H -7.825 1.803 0.524 1.00 . A A . 82 HIS H 1 1 10 4287 1 1 25 HIS HA H -9.784 -0.212 -0.241 1.00 . A A . 82 HIS HA 1 1 10 4288 1 1 25 HIS HB2 H -7.673 -0.017 1.880 1.00 . A A . 82 HIS HB2 1 1 10 4289 1 1 25 HIS HB3 H -8.986 -1.157 2.088 1.00 . A A . 82 HIS HB3 1 1 10 4290 1 1 25 HIS HD1 H -9.123 -1.983 -1.013 1.00 . A A . 82 HIS HD1 1 1 10 4291 1 1 25 HIS HD2 H -5.739 -1.865 1.417 1.00 . A A . 82 HIS HD2 1 1 10 4292 1 1 25 HIS HE1 H -7.441 -3.582 -2.041 1.00 . A A . 82 HIS HE1 1 1 10 4293 1 1 25 HIS N N -8.578 1.435 0.014 1.00 . A A . 82 HIS N 1 1 10 4294 1 1 25 HIS ND1 N -8.224 -2.158 -0.638 1.00 . A A . 82 HIS ND1 1 1 10 4295 1 1 25 HIS NE2 N -6.216 -3.000 -0.403 1.00 . A A . 82 HIS NE2 1 1 10 4296 1 1 25 HIS O O -10.507 0.633 2.658 1.00 . A A . 82 HIS O 1 1 10 4297 1 1 26 ASP C C -13.322 1.450 2.161 1.00 . A A . 83 ASP C 1 1 10 4298 1 1 26 ASP CA C -12.351 2.428 1.511 1.00 . A A . 83 ASP CA 1 1 10 4299 1 1 26 ASP CB C -13.104 3.318 0.517 1.00 . A A . 83 ASP CB 1 1 10 4300 1 1 26 ASP CG C -12.180 4.167 -0.341 1.00 . A A . 83 ASP CG 1 1 10 4301 1 1 26 ASP H H -11.162 1.852 -0.133 1.00 . A A . 83 ASP H 1 1 10 4302 1 1 26 ASP HA H -11.910 3.045 2.277 1.00 . A A . 83 ASP HA 1 1 10 4303 1 1 26 ASP HB2 H -13.694 2.692 -0.138 1.00 . A A . 83 ASP HB2 1 1 10 4304 1 1 26 ASP HB3 H -13.761 3.978 1.068 1.00 . A A . 83 ASP HB3 1 1 10 4305 1 1 26 ASP N N -11.276 1.716 0.833 1.00 . A A . 83 ASP N 1 1 10 4306 1 1 26 ASP O O -13.278 1.293 3.399 1.00 . A A . 83 ASP O 1 1 10 4307 1 1 26 ASP OXT O -14.120 0.825 1.428 1.00 . A A . 83 ASP OXT 1 1 10 4308 1 1 26 ASP OD1 O -11.683 3.657 -1.375 1.00 . A A . 83 ASP OD1 1 1 10 4309 1 1 26 ASP OD2 O -11.958 5.350 -0.003 1.00 . A A . 83 ASP OD2 1 1 10 4310 2 2 1 ZN ZN ZN -4.392 -3.085 -1.227 1.00 . B A . 101 ZN ZN 1 1 11 4311 1 1 1 LYS C C 9.753 -4.759 0.561 1.00 . A A . 58 LYS C 1 1 11 4312 1 1 1 LYS CA C 10.412 -4.398 -0.767 1.00 . A A . 58 LYS CA 1 1 11 4313 1 1 1 LYS CB C 9.596 -4.984 -1.923 1.00 . A A . 58 LYS CB 1 1 11 4314 1 1 1 LYS CD C 9.482 -5.578 -4.356 1.00 . A A . 58 LYS CD 1 1 11 4315 1 1 1 LYS CE C 10.167 -5.496 -5.706 1.00 . A A . 58 LYS CE 1 1 11 4316 1 1 1 LYS CG C 10.272 -4.858 -3.278 1.00 . A A . 58 LYS CG 1 1 11 4317 1 1 1 LYS H1 H 12.293 -4.561 -1.645 1.00 . A A . 58 LYS H1 1 1 11 4318 1 1 1 LYS H2 H 11.777 -5.969 -0.861 1.00 . A A . 58 LYS H2 1 1 11 4319 1 1 1 LYS H3 H 12.313 -4.641 0.051 1.00 . A A . 58 LYS H3 1 1 11 4320 1 1 1 LYS HA H 10.451 -3.323 -0.862 1.00 . A A . 58 LYS HA 1 1 11 4321 1 1 1 LYS HB2 H 9.420 -6.031 -1.728 1.00 . A A . 58 LYS HB2 1 1 11 4322 1 1 1 LYS HB3 H 8.648 -4.472 -1.971 1.00 . A A . 58 LYS HB3 1 1 11 4323 1 1 1 LYS HD2 H 9.381 -6.616 -4.081 1.00 . A A . 58 LYS HD2 1 1 11 4324 1 1 1 LYS HD3 H 8.503 -5.127 -4.431 1.00 . A A . 58 LYS HD3 1 1 11 4325 1 1 1 LYS HE2 H 10.230 -4.458 -6.002 1.00 . A A . 58 LYS HE2 1 1 11 4326 1 1 1 LYS HE3 H 11.164 -5.904 -5.615 1.00 . A A . 58 LYS HE3 1 1 11 4327 1 1 1 LYS HG2 H 10.346 -3.813 -3.537 1.00 . A A . 58 LYS HG2 1 1 11 4328 1 1 1 LYS HG3 H 11.261 -5.288 -3.220 1.00 . A A . 58 LYS HG3 1 1 11 4329 1 1 1 LYS HZ1 H 9.341 -7.256 -6.471 1.00 . A A . 58 LYS HZ1 1 1 11 4330 1 1 1 LYS HZ2 H 9.926 -6.200 -7.657 1.00 . A A . 58 LYS HZ2 1 1 11 4331 1 1 1 LYS HZ3 H 8.466 -5.859 -6.868 1.00 . A A . 58 LYS HZ3 1 1 11 4332 1 1 1 LYS N N 11.792 -4.928 -0.808 1.00 . A A . 58 LYS N 1 1 11 4333 1 1 1 LYS NZ N 9.425 -6.254 -6.748 1.00 . A A . 58 LYS NZ 1 1 11 4334 1 1 1 LYS O O 9.259 -5.872 0.733 1.00 . A A . 58 LYS O 1 1 11 4335 1 1 2 PRO C C 7.671 -3.817 2.901 1.00 . A A . 59 PRO C 1 1 11 4336 1 1 2 PRO CA C 9.180 -4.050 2.845 1.00 . A A . 59 PRO CA 1 1 11 4337 1 1 2 PRO CB C 9.905 -3.017 3.728 1.00 . A A . 59 PRO CB 1 1 11 4338 1 1 2 PRO CD C 10.301 -2.472 1.407 1.00 . A A . 59 PRO CD 1 1 11 4339 1 1 2 PRO CG C 10.769 -2.200 2.809 1.00 . A A . 59 PRO CG 1 1 11 4340 1 1 2 PRO HA H 9.401 -5.045 3.199 1.00 . A A . 59 PRO HA 1 1 11 4341 1 1 2 PRO HB2 H 9.170 -2.398 4.225 1.00 . A A . 59 PRO HB2 1 1 11 4342 1 1 2 PRO HB3 H 10.500 -3.537 4.467 1.00 . A A . 59 PRO HB3 1 1 11 4343 1 1 2 PRO HD2 H 9.544 -1.760 1.114 1.00 . A A . 59 PRO HD2 1 1 11 4344 1 1 2 PRO HD3 H 11.132 -2.454 0.718 1.00 . A A . 59 PRO HD3 1 1 11 4345 1 1 2 PRO HG2 H 10.654 -1.151 3.039 1.00 . A A . 59 PRO HG2 1 1 11 4346 1 1 2 PRO HG3 H 11.802 -2.496 2.923 1.00 . A A . 59 PRO HG3 1 1 11 4347 1 1 2 PRO N N 9.742 -3.820 1.519 1.00 . A A . 59 PRO N 1 1 11 4348 1 1 2 PRO O O 6.933 -4.589 3.511 1.00 . A A . 59 PRO O 1 1 11 4349 1 1 3 TYR C C 4.971 -3.028 1.285 1.00 . A A . 60 TYR C 1 1 11 4350 1 1 3 TYR CA C 5.824 -2.342 2.337 1.00 . A A . 60 TYR CA 1 1 11 4351 1 1 3 TYR CB C 5.720 -0.826 2.201 1.00 . A A . 60 TYR CB 1 1 11 4352 1 1 3 TYR CD1 C 7.513 0.198 3.638 1.00 . A A . 60 TYR CD1 1 1 11 4353 1 1 3 TYR CD2 C 5.258 0.333 4.395 1.00 . A A . 60 TYR CD2 1 1 11 4354 1 1 3 TYR CE1 C 7.935 0.887 4.758 1.00 . A A . 60 TYR CE1 1 1 11 4355 1 1 3 TYR CE2 C 5.671 1.020 5.518 1.00 . A A . 60 TYR CE2 1 1 11 4356 1 1 3 TYR CG C 6.171 -0.091 3.438 1.00 . A A . 60 TYR CG 1 1 11 4357 1 1 3 TYR CZ C 6.991 1.232 5.740 1.00 . A A . 60 TYR CZ 1 1 11 4358 1 1 3 TYR H H 7.830 -2.238 1.693 1.00 . A A . 60 TYR H 1 1 11 4359 1 1 3 TYR HA H 5.459 -2.626 3.312 1.00 . A A . 60 TYR HA 1 1 11 4360 1 1 3 TYR HB2 H 6.335 -0.501 1.374 1.00 . A A . 60 TYR HB2 1 1 11 4361 1 1 3 TYR HB3 H 4.692 -0.557 2.007 1.00 . A A . 60 TYR HB3 1 1 11 4362 1 1 3 TYR HD1 H 8.234 -0.127 2.900 1.00 . A A . 60 TYR HD1 1 1 11 4363 1 1 3 TYR HD2 H 4.210 0.115 4.253 1.00 . A A . 60 TYR HD2 1 1 11 4364 1 1 3 TYR HE1 H 8.985 1.104 4.895 1.00 . A A . 60 TYR HE1 1 1 11 4365 1 1 3 TYR HE2 H 4.946 1.340 6.253 1.00 . A A . 60 TYR HE2 1 1 11 4366 1 1 3 TYR HH H 8.071 2.654 6.548 1.00 . A A . 60 TYR HH 1 1 11 4367 1 1 3 TYR N N 7.216 -2.755 2.253 1.00 . A A . 60 TYR N 1 1 11 4368 1 1 3 TYR O O 5.077 -2.738 0.095 1.00 . A A . 60 TYR O 1 1 11 4369 1 1 3 TYR OH O 7.424 1.989 6.812 1.00 . A A . 60 TYR OH 1 1 11 4370 1 1 4 VAL C C 1.797 -4.523 1.376 1.00 . A A . 61 VAL C 1 1 11 4371 1 1 4 VAL CA C 3.224 -4.659 0.866 1.00 . A A . 61 VAL CA 1 1 11 4372 1 1 4 VAL CB C 3.590 -6.156 0.775 1.00 . A A . 61 VAL CB 1 1 11 4373 1 1 4 VAL CG1 C 2.744 -6.854 -0.275 1.00 . A A . 61 VAL CG1 1 1 11 4374 1 1 4 VAL CG2 C 5.065 -6.329 0.471 1.00 . A A . 61 VAL CG2 1 1 11 4375 1 1 4 VAL H H 4.127 -4.161 2.692 1.00 . A A . 61 VAL H 1 1 11 4376 1 1 4 VAL HA H 3.291 -4.226 -0.122 1.00 . A A . 61 VAL HA 1 1 11 4377 1 1 4 VAL HB H 3.384 -6.616 1.731 1.00 . A A . 61 VAL HB 1 1 11 4378 1 1 4 VAL HG11 H 2.953 -6.429 -1.247 1.00 . A A . 61 VAL HG11 1 1 11 4379 1 1 4 VAL HG12 H 1.701 -6.717 -0.037 1.00 . A A . 61 VAL HG12 1 1 11 4380 1 1 4 VAL HG13 H 2.977 -7.907 -0.283 1.00 . A A . 61 VAL HG13 1 1 11 4381 1 1 4 VAL HG21 H 5.298 -7.380 0.393 1.00 . A A . 61 VAL HG21 1 1 11 4382 1 1 4 VAL HG22 H 5.649 -5.886 1.262 1.00 . A A . 61 VAL HG22 1 1 11 4383 1 1 4 VAL HG23 H 5.293 -5.838 -0.464 1.00 . A A . 61 VAL HG23 1 1 11 4384 1 1 4 VAL N N 4.133 -3.948 1.738 1.00 . A A . 61 VAL N 1 1 11 4385 1 1 4 VAL O O 1.560 -4.402 2.580 1.00 . A A . 61 VAL O 1 1 11 4386 1 1 5 CYS C C -1.025 -5.882 1.147 1.00 . A A . 62 CYS C 1 1 11 4387 1 1 5 CYS CA C -0.552 -4.489 0.785 1.00 . A A . 62 CYS CA 1 1 11 4388 1 1 5 CYS CB C -1.361 -3.967 -0.402 1.00 . A A . 62 CYS CB 1 1 11 4389 1 1 5 CYS H H 1.127 -4.551 -0.494 1.00 . A A . 62 CYS H 1 1 11 4390 1 1 5 CYS HA H -0.689 -3.833 1.630 1.00 . A A . 62 CYS HA 1 1 11 4391 1 1 5 CYS HB2 H -1.026 -2.981 -0.644 1.00 . A A . 62 CYS HB2 1 1 11 4392 1 1 5 CYS HB3 H -1.189 -4.615 -1.253 1.00 . A A . 62 CYS HB3 1 1 11 4393 1 1 5 CYS N N 0.858 -4.523 0.452 1.00 . A A . 62 CYS N 1 1 11 4394 1 1 5 CYS O O -1.193 -6.729 0.277 1.00 . A A . 62 CYS O 1 1 11 4395 1 1 5 CYS SG S -3.140 -3.855 -0.157 1.00 . A A . 62 CYS SG 1 1 11 4396 1 1 6 GLU C C -3.155 -7.619 2.312 1.00 . A A . 63 GLU C 1 1 11 4397 1 1 6 GLU CA C -1.769 -7.377 2.909 1.00 . A A . 63 GLU CA 1 1 11 4398 1 1 6 GLU CB C -1.848 -7.329 4.436 1.00 . A A . 63 GLU CB 1 1 11 4399 1 1 6 GLU CD C -2.465 -8.462 6.590 1.00 . A A . 63 GLU CD 1 1 11 4400 1 1 6 GLU CG C -2.299 -8.620 5.092 1.00 . A A . 63 GLU CG 1 1 11 4401 1 1 6 GLU H H -1.015 -5.410 3.084 1.00 . A A . 63 GLU H 1 1 11 4402 1 1 6 GLU HA H -1.102 -8.171 2.605 1.00 . A A . 63 GLU HA 1 1 11 4403 1 1 6 GLU HB2 H -0.870 -7.084 4.822 1.00 . A A . 63 GLU HB2 1 1 11 4404 1 1 6 GLU HB3 H -2.540 -6.548 4.720 1.00 . A A . 63 GLU HB3 1 1 11 4405 1 1 6 GLU HG2 H -3.244 -8.918 4.666 1.00 . A A . 63 GLU HG2 1 1 11 4406 1 1 6 GLU HG3 H -1.559 -9.384 4.903 1.00 . A A . 63 GLU HG3 1 1 11 4407 1 1 6 GLU N N -1.236 -6.112 2.428 1.00 . A A . 63 GLU N 1 1 11 4408 1 1 6 GLU O O -3.610 -8.755 2.188 1.00 . A A . 63 GLU O 1 1 11 4409 1 1 6 GLU OE1 O -1.462 -8.604 7.321 1.00 . A A . 63 GLU OE1 1 1 11 4410 1 1 6 GLU OE2 O -3.592 -8.172 7.041 1.00 . A A . 63 GLU OE2 1 1 11 4411 1 1 7 ARG C C -5.357 -6.963 0.025 1.00 . A A . 64 ARG C 1 1 11 4412 1 1 7 ARG CA C -5.176 -6.554 1.489 1.00 . A A . 64 ARG CA 1 1 11 4413 1 1 7 ARG CB C -5.797 -5.189 1.757 1.00 . A A . 64 ARG CB 1 1 11 4414 1 1 7 ARG CD C -6.228 -3.408 3.487 1.00 . A A . 64 ARG CD 1 1 11 4415 1 1 7 ARG CG C -5.487 -4.686 3.154 1.00 . A A . 64 ARG CG 1 1 11 4416 1 1 7 ARG CZ C -6.592 -2.272 5.648 1.00 . A A . 64 ARG CZ 1 1 11 4417 1 1 7 ARG H H -3.315 -5.677 1.900 1.00 . A A . 64 ARG H 1 1 11 4418 1 1 7 ARG HA H -5.680 -7.280 2.107 1.00 . A A . 64 ARG HA 1 1 11 4419 1 1 7 ARG HB2 H -5.412 -4.478 1.040 1.00 . A A . 64 ARG HB2 1 1 11 4420 1 1 7 ARG HB3 H -6.863 -5.260 1.649 1.00 . A A . 64 ARG HB3 1 1 11 4421 1 1 7 ARG HD2 H -6.035 -2.680 2.708 1.00 . A A . 64 ARG HD2 1 1 11 4422 1 1 7 ARG HD3 H -7.287 -3.619 3.539 1.00 . A A . 64 ARG HD3 1 1 11 4423 1 1 7 ARG HE H -4.822 -2.942 4.979 1.00 . A A . 64 ARG HE 1 1 11 4424 1 1 7 ARG HG2 H -5.767 -5.445 3.866 1.00 . A A . 64 ARG HG2 1 1 11 4425 1 1 7 ARG HG3 H -4.424 -4.504 3.228 1.00 . A A . 64 ARG HG3 1 1 11 4426 1 1 7 ARG HH11 H -8.285 -2.567 4.573 1.00 . A A . 64 ARG HH11 1 1 11 4427 1 1 7 ARG HH12 H -8.499 -1.735 6.084 1.00 . A A . 64 ARG HH12 1 1 11 4428 1 1 7 ARG HH21 H -5.109 -1.860 6.966 1.00 . A A . 64 ARG HH21 1 1 11 4429 1 1 7 ARG HH22 H -6.689 -1.326 7.439 1.00 . A A . 64 ARG HH22 1 1 11 4430 1 1 7 ARG N N -3.792 -6.529 1.904 1.00 . A A . 64 ARG N 1 1 11 4431 1 1 7 ARG NE N -5.788 -2.865 4.767 1.00 . A A . 64 ARG NE 1 1 11 4432 1 1 7 ARG NH1 N -7.896 -2.184 5.413 1.00 . A A . 64 ARG NH1 1 1 11 4433 1 1 7 ARG NH2 N -6.089 -1.783 6.773 1.00 . A A . 64 ARG NH2 1 1 11 4434 1 1 7 ARG O O -6.405 -7.504 -0.321 1.00 . A A . 64 ARG O 1 1 11 4435 1 1 8 CYS C C -3.205 -7.799 -2.762 1.00 . A A . 65 CYS C 1 1 11 4436 1 1 8 CYS CA C -4.516 -7.224 -2.222 1.00 . A A . 65 CYS CA 1 1 11 4437 1 1 8 CYS CB C -5.079 -6.157 -3.168 1.00 . A A . 65 CYS CB 1 1 11 4438 1 1 8 CYS H H -3.590 -6.161 -0.603 1.00 . A A . 65 CYS H 1 1 11 4439 1 1 8 CYS HA H -5.230 -8.034 -2.175 1.00 . A A . 65 CYS HA 1 1 11 4440 1 1 8 CYS HB2 H -5.403 -6.636 -4.082 1.00 . A A . 65 CYS HB2 1 1 11 4441 1 1 8 CYS HB3 H -5.930 -5.685 -2.692 1.00 . A A . 65 CYS HB3 1 1 11 4442 1 1 8 CYS N N -4.380 -6.707 -0.858 1.00 . A A . 65 CYS N 1 1 11 4443 1 1 8 CYS O O -3.159 -8.323 -3.873 1.00 . A A . 65 CYS O 1 1 11 4444 1 1 8 CYS SG S -3.920 -4.857 -3.628 1.00 . A A . 65 CYS SG 1 1 11 4445 1 1 9 GLY C C 0.086 -7.405 -3.037 1.00 . A A . 66 GLY C 1 1 11 4446 1 1 9 GLY CA C -0.889 -8.344 -2.350 1.00 . A A . 66 GLY CA 1 1 11 4447 1 1 9 GLY H H -2.206 -7.237 -1.121 1.00 . A A . 66 GLY H 1 1 11 4448 1 1 9 GLY HA2 H -0.420 -8.734 -1.456 1.00 . A A . 66 GLY HA2 1 1 11 4449 1 1 9 GLY HA3 H -1.106 -9.168 -3.018 1.00 . A A . 66 GLY HA3 1 1 11 4450 1 1 9 GLY N N -2.142 -7.715 -1.974 1.00 . A A . 66 GLY N 1 1 11 4451 1 1 9 GLY O O 1.277 -7.702 -3.116 1.00 . A A . 66 GLY O 1 1 11 4452 1 1 10 LYS C C 1.303 -4.520 -3.279 1.00 . A A . 67 LYS C 1 1 11 4453 1 1 10 LYS CA C 0.466 -5.343 -4.249 1.00 . A A . 67 LYS CA 1 1 11 4454 1 1 10 LYS CB C -0.354 -4.432 -5.156 1.00 . A A . 67 LYS CB 1 1 11 4455 1 1 10 LYS CD C -0.128 -6.036 -7.074 1.00 . A A . 67 LYS CD 1 1 11 4456 1 1 10 LYS CE C -0.857 -6.809 -8.161 1.00 . A A . 67 LYS CE 1 1 11 4457 1 1 10 LYS CG C -1.082 -5.182 -6.255 1.00 . A A . 67 LYS CG 1 1 11 4458 1 1 10 LYS H H -1.351 -6.069 -3.415 1.00 . A A . 67 LYS H 1 1 11 4459 1 1 10 LYS HA H 1.135 -5.929 -4.862 1.00 . A A . 67 LYS HA 1 1 11 4460 1 1 10 LYS HB2 H -1.087 -3.911 -4.559 1.00 . A A . 67 LYS HB2 1 1 11 4461 1 1 10 LYS HB3 H 0.304 -3.711 -5.617 1.00 . A A . 67 LYS HB3 1 1 11 4462 1 1 10 LYS HD2 H 0.608 -5.394 -7.534 1.00 . A A . 67 LYS HD2 1 1 11 4463 1 1 10 LYS HD3 H 0.367 -6.737 -6.413 1.00 . A A . 67 LYS HD3 1 1 11 4464 1 1 10 LYS HE2 H -1.469 -6.120 -8.723 1.00 . A A . 67 LYS HE2 1 1 11 4465 1 1 10 LYS HE3 H -0.126 -7.251 -8.817 1.00 . A A . 67 LYS HE3 1 1 11 4466 1 1 10 LYS HG2 H -1.831 -5.821 -5.811 1.00 . A A . 67 LYS HG2 1 1 11 4467 1 1 10 LYS HG3 H -1.552 -4.468 -6.908 1.00 . A A . 67 LYS HG3 1 1 11 4468 1 1 10 LYS HZ1 H -1.161 -8.559 -7.054 1.00 . A A . 67 LYS HZ1 1 1 11 4469 1 1 10 LYS HZ2 H -2.199 -8.398 -8.385 1.00 . A A . 67 LYS HZ2 1 1 11 4470 1 1 10 LYS HZ3 H -2.462 -7.469 -6.990 1.00 . A A . 67 LYS HZ3 1 1 11 4471 1 1 10 LYS N N -0.399 -6.277 -3.533 1.00 . A A . 67 LYS N 1 1 11 4472 1 1 10 LYS NZ N -1.728 -7.882 -7.607 1.00 . A A . 67 LYS NZ 1 1 11 4473 1 1 10 LYS O O 0.830 -4.119 -2.224 1.00 . A A . 67 LYS O 1 1 11 4474 1 1 11 ARG C C 4.016 -2.324 -3.276 1.00 . A A . 68 ARG C 1 1 11 4475 1 1 11 ARG CA C 3.491 -3.651 -2.735 1.00 . A A . 68 ARG CA 1 1 11 4476 1 1 11 ARG CB C 4.633 -4.619 -2.481 1.00 . A A . 68 ARG CB 1 1 11 4477 1 1 11 ARG CD C 6.252 -6.245 -3.489 1.00 . A A . 68 ARG CD 1 1 11 4478 1 1 11 ARG CG C 5.252 -5.129 -3.745 1.00 . A A . 68 ARG CG 1 1 11 4479 1 1 11 ARG CZ C 4.996 -8.360 -3.719 1.00 . A A . 68 ARG CZ 1 1 11 4480 1 1 11 ARG H H 2.842 -4.513 -4.539 1.00 . A A . 68 ARG H 1 1 11 4481 1 1 11 ARG HA H 2.986 -3.468 -1.809 1.00 . A A . 68 ARG HA 1 1 11 4482 1 1 11 ARG HB2 H 5.392 -4.113 -1.918 1.00 . A A . 68 ARG HB2 1 1 11 4483 1 1 11 ARG HB3 H 4.264 -5.463 -1.917 1.00 . A A . 68 ARG HB3 1 1 11 4484 1 1 11 ARG HD2 H 6.743 -6.492 -4.420 1.00 . A A . 68 ARG HD2 1 1 11 4485 1 1 11 ARG HD3 H 6.987 -5.897 -2.777 1.00 . A A . 68 ARG HD3 1 1 11 4486 1 1 11 ARG HE H 5.650 -7.594 -1.986 1.00 . A A . 68 ARG HE 1 1 11 4487 1 1 11 ARG HG2 H 4.466 -5.503 -4.383 1.00 . A A . 68 ARG HG2 1 1 11 4488 1 1 11 ARG HG3 H 5.751 -4.304 -4.221 1.00 . A A . 68 ARG HG3 1 1 11 4489 1 1 11 ARG HH11 H 5.327 -7.378 -5.463 1.00 . A A . 68 ARG HH11 1 1 11 4490 1 1 11 ARG HH12 H 4.458 -8.875 -5.612 1.00 . A A . 68 ARG HH12 1 1 11 4491 1 1 11 ARG HH21 H 4.497 -9.567 -2.164 1.00 . A A . 68 ARG HH21 1 1 11 4492 1 1 11 ARG HH22 H 3.976 -10.115 -3.731 1.00 . A A . 68 ARG HH22 1 1 11 4493 1 1 11 ARG N N 2.546 -4.274 -3.641 1.00 . A A . 68 ARG N 1 1 11 4494 1 1 11 ARG NE N 5.610 -7.451 -2.960 1.00 . A A . 68 ARG NE 1 1 11 4495 1 1 11 ARG NH1 N 4.922 -8.189 -5.036 1.00 . A A . 68 ARG NH1 1 1 11 4496 1 1 11 ARG NH2 N 4.448 -9.433 -3.162 1.00 . A A . 68 ARG NH2 1 1 11 4497 1 1 11 ARG O O 3.919 -2.041 -4.470 1.00 . A A . 68 ARG O 1 1 11 4498 1 1 12 PHE C C 6.357 0.126 -2.008 1.00 . A A . 69 PHE C 1 1 11 4499 1 1 12 PHE CA C 5.043 -0.187 -2.685 1.00 . A A . 69 PHE CA 1 1 11 4500 1 1 12 PHE CB C 3.978 0.820 -2.271 1.00 . A A . 69 PHE CB 1 1 11 4501 1 1 12 PHE CD1 C 3.418 2.199 -4.287 1.00 . A A . 69 PHE CD1 1 1 11 4502 1 1 12 PHE CD2 C 1.871 0.527 -3.590 1.00 . A A . 69 PHE CD2 1 1 11 4503 1 1 12 PHE CE1 C 2.576 2.545 -5.326 1.00 . A A . 69 PHE CE1 1 1 11 4504 1 1 12 PHE CE2 C 1.026 0.868 -4.628 1.00 . A A . 69 PHE CE2 1 1 11 4505 1 1 12 PHE CG C 3.075 1.186 -3.410 1.00 . A A . 69 PHE CG 1 1 11 4506 1 1 12 PHE CZ C 1.424 1.849 -5.542 1.00 . A A . 69 PHE CZ 1 1 11 4507 1 1 12 PHE H H 4.764 -1.884 -1.483 1.00 . A A . 69 PHE H 1 1 11 4508 1 1 12 PHE HA H 5.191 -0.106 -3.747 1.00 . A A . 69 PHE HA 1 1 11 4509 1 1 12 PHE HB2 H 3.373 0.385 -1.489 1.00 . A A . 69 PHE HB2 1 1 11 4510 1 1 12 PHE HB3 H 4.449 1.723 -1.903 1.00 . A A . 69 PHE HB3 1 1 11 4511 1 1 12 PHE HD1 H 4.355 2.720 -4.152 1.00 . A A . 69 PHE HD1 1 1 11 4512 1 1 12 PHE HD2 H 1.592 -0.262 -2.906 1.00 . A A . 69 PHE HD2 1 1 11 4513 1 1 12 PHE HE1 H 2.853 3.338 -6.005 1.00 . A A . 69 PHE HE1 1 1 11 4514 1 1 12 PHE HE2 H 0.091 0.345 -4.758 1.00 . A A . 69 PHE HE2 1 1 11 4515 1 1 12 PHE HZ H 0.781 2.107 -6.370 1.00 . A A . 69 PHE HZ 1 1 11 4516 1 1 12 PHE N N 4.601 -1.536 -2.382 1.00 . A A . 69 PHE N 1 1 11 4517 1 1 12 PHE O O 6.659 -0.350 -0.915 1.00 . A A . 69 PHE O 1 1 11 4518 1 1 13 VAL C C 8.329 2.326 -1.128 1.00 . A A . 70 VAL C 1 1 11 4519 1 1 13 VAL CA C 8.446 1.337 -2.267 1.00 . A A . 70 VAL CA 1 1 11 4520 1 1 13 VAL CB C 9.223 2.021 -3.410 1.00 . A A . 70 VAL CB 1 1 11 4521 1 1 13 VAL CG1 C 10.698 2.103 -3.075 1.00 . A A . 70 VAL CG1 1 1 11 4522 1 1 13 VAL CG2 C 9.002 1.310 -4.734 1.00 . A A . 70 VAL CG2 1 1 11 4523 1 1 13 VAL H H 6.799 1.247 -3.560 1.00 . A A . 70 VAL H 1 1 11 4524 1 1 13 VAL HA H 8.997 0.466 -1.941 1.00 . A A . 70 VAL HA 1 1 11 4525 1 1 13 VAL HB H 8.851 3.031 -3.508 1.00 . A A . 70 VAL HB 1 1 11 4526 1 1 13 VAL HG11 H 10.831 2.700 -2.185 1.00 . A A . 70 VAL HG11 1 1 11 4527 1 1 13 VAL HG12 H 11.230 2.556 -3.898 1.00 . A A . 70 VAL HG12 1 1 11 4528 1 1 13 VAL HG13 H 11.079 1.109 -2.902 1.00 . A A . 70 VAL HG13 1 1 11 4529 1 1 13 VAL HG21 H 7.948 1.313 -4.970 1.00 . A A . 70 VAL HG21 1 1 11 4530 1 1 13 VAL HG22 H 9.353 0.292 -4.659 1.00 . A A . 70 VAL HG22 1 1 11 4531 1 1 13 VAL HG23 H 9.546 1.824 -5.512 1.00 . A A . 70 VAL HG23 1 1 11 4532 1 1 13 VAL N N 7.130 0.924 -2.707 1.00 . A A . 70 VAL N 1 1 11 4533 1 1 13 VAL O O 9.105 2.298 -0.175 1.00 . A A . 70 VAL O 1 1 11 4534 1 1 14 GLN C C 6.179 4.007 0.711 1.00 . A A . 71 GLN C 1 1 11 4535 1 1 14 GLN CA C 7.220 4.305 -0.349 1.00 . A A . 71 GLN CA 1 1 11 4536 1 1 14 GLN CB C 6.795 5.496 -1.185 1.00 . A A . 71 GLN CB 1 1 11 4537 1 1 14 GLN CD C 7.126 6.780 -3.343 1.00 . A A . 71 GLN CD 1 1 11 4538 1 1 14 GLN CG C 7.393 5.495 -2.588 1.00 . A A . 71 GLN CG 1 1 11 4539 1 1 14 GLN H H 6.647 3.077 -1.912 1.00 . A A . 71 GLN H 1 1 11 4540 1 1 14 GLN HA H 8.177 4.498 0.107 1.00 . A A . 71 GLN HA 1 1 11 4541 1 1 14 GLN HB2 H 5.714 5.490 -1.276 1.00 . A A . 71 GLN HB2 1 1 11 4542 1 1 14 GLN HB3 H 7.106 6.381 -0.687 1.00 . A A . 71 GLN HB3 1 1 11 4543 1 1 14 GLN HE21 H 8.868 7.528 -2.740 1.00 . A A . 71 GLN HE21 1 1 11 4544 1 1 14 GLN HE22 H 7.903 8.564 -3.745 1.00 . A A . 71 GLN HE22 1 1 11 4545 1 1 14 GLN HG2 H 8.461 5.349 -2.515 1.00 . A A . 71 GLN HG2 1 1 11 4546 1 1 14 GLN HG3 H 6.960 4.676 -3.141 1.00 . A A . 71 GLN HG3 1 1 11 4547 1 1 14 GLN N N 7.336 3.193 -1.229 1.00 . A A . 71 GLN N 1 1 11 4548 1 1 14 GLN NE2 N 8.057 7.715 -3.268 1.00 . A A . 71 GLN NE2 1 1 11 4549 1 1 14 GLN O O 5.066 3.601 0.387 1.00 . A A . 71 GLN O 1 1 11 4550 1 1 14 GLN OE1 O 6.105 6.916 -4.013 1.00 . A A . 71 GLN OE1 1 1 11 4551 1 1 15 SER C C 4.380 4.811 2.921 1.00 . A A . 72 SER C 1 1 11 4552 1 1 15 SER CA C 5.654 3.997 3.093 1.00 . A A . 72 SER CA 1 1 11 4553 1 1 15 SER CB C 6.361 4.386 4.392 1.00 . A A . 72 SER CB 1 1 11 4554 1 1 15 SER H H 7.476 4.507 2.148 1.00 . A A . 72 SER H 1 1 11 4555 1 1 15 SER HA H 5.398 2.948 3.128 1.00 . A A . 72 SER HA 1 1 11 4556 1 1 15 SER HB2 H 5.651 4.371 5.205 1.00 . A A . 72 SER HB2 1 1 11 4557 1 1 15 SER HB3 H 7.154 3.681 4.592 1.00 . A A . 72 SER HB3 1 1 11 4558 1 1 15 SER HG H 7.286 5.942 5.163 1.00 . A A . 72 SER HG 1 1 11 4559 1 1 15 SER N N 6.554 4.209 1.967 1.00 . A A . 72 SER N 1 1 11 4560 1 1 15 SER O O 3.274 4.317 3.140 1.00 . A A . 72 SER O 1 1 11 4561 1 1 15 SER OG O 6.919 5.688 4.299 1.00 . A A . 72 SER OG 1 1 11 4562 1 1 16 SER C C 2.544 6.490 1.156 1.00 . A A . 73 SER C 1 1 11 4563 1 1 16 SER CA C 3.442 6.960 2.293 1.00 . A A . 73 SER CA 1 1 11 4564 1 1 16 SER CB C 3.984 8.354 2.002 1.00 . A A . 73 SER CB 1 1 11 4565 1 1 16 SER H H 5.463 6.374 2.324 1.00 . A A . 73 SER H 1 1 11 4566 1 1 16 SER HA H 2.864 6.993 3.204 1.00 . A A . 73 SER HA 1 1 11 4567 1 1 16 SER HB2 H 3.196 8.967 1.592 1.00 . A A . 73 SER HB2 1 1 11 4568 1 1 16 SER HB3 H 4.349 8.795 2.917 1.00 . A A . 73 SER HB3 1 1 11 4569 1 1 16 SER HG H 5.141 9.156 0.634 1.00 . A A . 73 SER HG 1 1 11 4570 1 1 16 SER N N 4.552 6.053 2.500 1.00 . A A . 73 SER N 1 1 11 4571 1 1 16 SER O O 1.322 6.505 1.277 1.00 . A A . 73 SER O 1 1 11 4572 1 1 16 SER OG O 5.049 8.292 1.067 1.00 . A A . 73 SER OG 1 1 11 4573 1 1 17 GLN C C 1.726 4.306 -0.824 1.00 . A A . 74 GLN C 1 1 11 4574 1 1 17 GLN CA C 2.396 5.637 -1.102 1.00 . A A . 74 GLN CA 1 1 11 4575 1 1 17 GLN CB C 3.314 5.534 -2.319 1.00 . A A . 74 GLN CB 1 1 11 4576 1 1 17 GLN CD C 1.859 6.779 -3.978 1.00 . A A . 74 GLN CD 1 1 11 4577 1 1 17 GLN CG C 2.570 5.479 -3.644 1.00 . A A . 74 GLN CG 1 1 11 4578 1 1 17 GLN H H 4.120 5.893 0.078 1.00 . A A . 74 GLN H 1 1 11 4579 1 1 17 GLN HA H 1.639 6.387 -1.282 1.00 . A A . 74 GLN HA 1 1 11 4580 1 1 17 GLN HB2 H 3.969 6.396 -2.333 1.00 . A A . 74 GLN HB2 1 1 11 4581 1 1 17 GLN HB3 H 3.911 4.635 -2.229 1.00 . A A . 74 GLN HB3 1 1 11 4582 1 1 17 GLN HE21 H 0.449 5.794 -4.977 1.00 . A A . 74 GLN HE21 1 1 11 4583 1 1 17 GLN HE22 H 0.289 7.516 -4.950 1.00 . A A . 74 GLN HE22 1 1 11 4584 1 1 17 GLN HG2 H 3.280 5.262 -4.429 1.00 . A A . 74 GLN HG2 1 1 11 4585 1 1 17 GLN HG3 H 1.838 4.687 -3.596 1.00 . A A . 74 GLN HG3 1 1 11 4586 1 1 17 GLN N N 3.152 6.022 0.071 1.00 . A A . 74 GLN N 1 1 11 4587 1 1 17 GLN NE2 N 0.753 6.685 -4.702 1.00 . A A . 74 GLN NE2 1 1 11 4588 1 1 17 GLN O O 0.661 4.006 -1.350 1.00 . A A . 74 GLN O 1 1 11 4589 1 1 17 GLN OE1 O 2.301 7.860 -3.590 1.00 . A A . 74 GLN OE1 1 1 11 4590 1 1 18 LEU C C 0.608 2.497 1.347 1.00 . A A . 75 LEU C 1 1 11 4591 1 1 18 LEU CA C 1.829 2.256 0.471 1.00 . A A . 75 LEU CA 1 1 11 4592 1 1 18 LEU CB C 2.930 1.482 1.220 1.00 . A A . 75 LEU CB 1 1 11 4593 1 1 18 LEU CD1 C 1.893 0.065 3.009 1.00 . A A . 75 LEU CD1 1 1 11 4594 1 1 18 LEU CD2 C 1.710 -0.598 0.624 1.00 . A A . 75 LEU CD2 1 1 11 4595 1 1 18 LEU CG C 2.585 0.062 1.662 1.00 . A A . 75 LEU CG 1 1 11 4596 1 1 18 LEU H H 3.235 3.820 0.389 1.00 . A A . 75 LEU H 1 1 11 4597 1 1 18 LEU HA H 1.527 1.702 -0.404 1.00 . A A . 75 LEU HA 1 1 11 4598 1 1 18 LEU HB2 H 3.797 1.426 0.572 1.00 . A A . 75 LEU HB2 1 1 11 4599 1 1 18 LEU HB3 H 3.197 2.053 2.103 1.00 . A A . 75 LEU HB3 1 1 11 4600 1 1 18 LEU HD11 H 0.965 0.609 2.931 1.00 . A A . 75 LEU HD11 1 1 11 4601 1 1 18 LEU HD12 H 2.530 0.545 3.736 1.00 . A A . 75 LEU HD12 1 1 11 4602 1 1 18 LEU HD13 H 1.693 -0.949 3.314 1.00 . A A . 75 LEU HD13 1 1 11 4603 1 1 18 LEU HD21 H 2.259 -0.696 -0.298 1.00 . A A . 75 LEU HD21 1 1 11 4604 1 1 18 LEU HD22 H 0.840 0.025 0.464 1.00 . A A . 75 LEU HD22 1 1 11 4605 1 1 18 LEU HD23 H 1.403 -1.571 0.975 1.00 . A A . 75 LEU HD23 1 1 11 4606 1 1 18 LEU HG H 3.493 -0.516 1.752 1.00 . A A . 75 LEU HG 1 1 11 4607 1 1 18 LEU N N 2.364 3.527 0.035 1.00 . A A . 75 LEU N 1 1 11 4608 1 1 18 LEU O O -0.443 1.895 1.153 1.00 . A A . 75 LEU O 1 1 11 4609 1 1 19 ALA C C -1.431 4.439 2.247 1.00 . A A . 76 ALA C 1 1 11 4610 1 1 19 ALA CA C -0.355 3.831 3.125 1.00 . A A . 76 ALA CA 1 1 11 4611 1 1 19 ALA CB C 0.107 4.819 4.184 1.00 . A A . 76 ALA CB 1 1 11 4612 1 1 19 ALA H H 1.664 3.717 2.497 1.00 . A A . 76 ALA H 1 1 11 4613 1 1 19 ALA HA H -0.782 2.970 3.621 1.00 . A A . 76 ALA HA 1 1 11 4614 1 1 19 ALA HB1 H 0.846 4.348 4.816 1.00 . A A . 76 ALA HB1 1 1 11 4615 1 1 19 ALA HB2 H -0.737 5.125 4.785 1.00 . A A . 76 ALA HB2 1 1 11 4616 1 1 19 ALA HB3 H 0.542 5.687 3.706 1.00 . A A . 76 ALA HB3 1 1 11 4617 1 1 19 ALA N N 0.765 3.380 2.311 1.00 . A A . 76 ALA N 1 1 11 4618 1 1 19 ALA O O -2.611 4.179 2.451 1.00 . A A . 76 ALA O 1 1 11 4619 1 1 20 ASN C C -2.726 4.663 -0.405 1.00 . A A . 77 ASN C 1 1 11 4620 1 1 20 ASN CA C -1.969 5.786 0.299 1.00 . A A . 77 ASN CA 1 1 11 4621 1 1 20 ASN CB C -1.233 6.645 -0.730 1.00 . A A . 77 ASN CB 1 1 11 4622 1 1 20 ASN CG C -2.159 7.223 -1.781 1.00 . A A . 77 ASN CG 1 1 11 4623 1 1 20 ASN H H -0.053 5.437 1.169 1.00 . A A . 77 ASN H 1 1 11 4624 1 1 20 ASN HA H -2.671 6.399 0.841 1.00 . A A . 77 ASN HA 1 1 11 4625 1 1 20 ASN HB2 H -0.747 7.463 -0.221 1.00 . A A . 77 ASN HB2 1 1 11 4626 1 1 20 ASN HB3 H -0.488 6.041 -1.227 1.00 . A A . 77 ASN HB3 1 1 11 4627 1 1 20 ASN HD21 H -0.750 6.995 -3.160 1.00 . A A . 77 ASN HD21 1 1 11 4628 1 1 20 ASN HD22 H -2.262 7.661 -3.722 1.00 . A A . 77 ASN HD22 1 1 11 4629 1 1 20 ASN N N -1.022 5.222 1.256 1.00 . A A . 77 ASN N 1 1 11 4630 1 1 20 ASN ND2 N -1.672 7.306 -3.006 1.00 . A A . 77 ASN ND2 1 1 11 4631 1 1 20 ASN O O -3.941 4.735 -0.602 1.00 . A A . 77 ASN O 1 1 11 4632 1 1 20 ASN OD1 O -3.301 7.579 -1.498 1.00 . A A . 77 ASN OD1 1 1 11 4633 1 1 21 HIS C C -3.613 1.780 -0.537 1.00 . A A . 78 HIS C 1 1 11 4634 1 1 21 HIS CA C -2.537 2.437 -1.402 1.00 . A A . 78 HIS CA 1 1 11 4635 1 1 21 HIS CB C -1.388 1.461 -1.675 1.00 . A A . 78 HIS CB 1 1 11 4636 1 1 21 HIS CD2 C -2.281 -0.964 -1.710 1.00 . A A . 78 HIS CD2 1 1 11 4637 1 1 21 HIS CE1 C -1.998 -1.402 -3.811 1.00 . A A . 78 HIS CE1 1 1 11 4638 1 1 21 HIS CG C -1.785 0.158 -2.288 1.00 . A A . 78 HIS CG 1 1 11 4639 1 1 21 HIS H H -1.020 3.642 -0.565 1.00 . A A . 78 HIS H 1 1 11 4640 1 1 21 HIS HA H -2.974 2.740 -2.341 1.00 . A A . 78 HIS HA 1 1 11 4641 1 1 21 HIS HB2 H -0.684 1.934 -2.346 1.00 . A A . 78 HIS HB2 1 1 11 4642 1 1 21 HIS HB3 H -0.890 1.245 -0.738 1.00 . A A . 78 HIS HB3 1 1 11 4643 1 1 21 HIS HD1 H -1.304 0.480 -4.312 1.00 . A A . 78 HIS HD1 1 1 11 4644 1 1 21 HIS HD2 H -2.543 -1.079 -0.663 1.00 . A A . 78 HIS HD2 1 1 11 4645 1 1 21 HIS HE1 H -1.969 -1.910 -4.764 1.00 . A A . 78 HIS HE1 1 1 11 4646 1 1 21 HIS N N -1.988 3.618 -0.751 1.00 . A A . 78 HIS N 1 1 11 4647 1 1 21 HIS ND1 N -1.622 -0.139 -3.618 1.00 . A A . 78 HIS ND1 1 1 11 4648 1 1 21 HIS NE2 N -2.411 -1.954 -2.680 1.00 . A A . 78 HIS NE2 1 1 11 4649 1 1 21 HIS O O -4.744 1.580 -0.977 1.00 . A A . 78 HIS O 1 1 11 4650 1 1 22 ILE C C -5.309 1.759 2.019 1.00 . A A . 79 ILE C 1 1 11 4651 1 1 22 ILE CA C -4.182 0.806 1.611 1.00 . A A . 79 ILE CA 1 1 11 4652 1 1 22 ILE CB C -3.435 0.265 2.849 1.00 . A A . 79 ILE CB 1 1 11 4653 1 1 22 ILE CD1 C -1.497 -0.890 1.651 1.00 . A A . 79 ILE CD1 1 1 11 4654 1 1 22 ILE CG1 C -2.730 -1.043 2.502 1.00 . A A . 79 ILE CG1 1 1 11 4655 1 1 22 ILE CG2 C -4.375 0.053 4.016 1.00 . A A . 79 ILE CG2 1 1 11 4656 1 1 22 ILE H H -2.324 1.578 0.985 1.00 . A A . 79 ILE H 1 1 11 4657 1 1 22 ILE HA H -4.625 -0.041 1.099 1.00 . A A . 79 ILE HA 1 1 11 4658 1 1 22 ILE HB H -2.696 0.994 3.144 1.00 . A A . 79 ILE HB 1 1 11 4659 1 1 22 ILE HD11 H -0.737 -0.365 2.211 1.00 . A A . 79 ILE HD11 1 1 11 4660 1 1 22 ILE HD12 H -1.742 -0.324 0.764 1.00 . A A . 79 ILE HD12 1 1 11 4661 1 1 22 ILE HD13 H -1.130 -1.864 1.369 1.00 . A A . 79 ILE HD13 1 1 11 4662 1 1 22 ILE HG12 H -2.431 -1.518 3.409 1.00 . A A . 79 ILE HG12 1 1 11 4663 1 1 22 ILE HG13 H -3.422 -1.685 1.970 1.00 . A A . 79 ILE HG13 1 1 11 4664 1 1 22 ILE HG21 H -5.134 -0.660 3.733 1.00 . A A . 79 ILE HG21 1 1 11 4665 1 1 22 ILE HG22 H -4.839 0.991 4.278 1.00 . A A . 79 ILE HG22 1 1 11 4666 1 1 22 ILE HG23 H -3.821 -0.326 4.860 1.00 . A A . 79 ILE HG23 1 1 11 4667 1 1 22 ILE N N -3.253 1.434 0.692 1.00 . A A . 79 ILE N 1 1 11 4668 1 1 22 ILE O O -6.426 1.319 2.281 1.00 . A A . 79 ILE O 1 1 11 4669 1 1 23 ARG C C -7.180 3.941 1.224 1.00 . A A . 80 ARG C 1 1 11 4670 1 1 23 ARG CA C -6.064 4.053 2.269 1.00 . A A . 80 ARG CA 1 1 11 4671 1 1 23 ARG CB C -5.433 5.431 2.224 1.00 . A A . 80 ARG CB 1 1 11 4672 1 1 23 ARG CD C -6.150 6.267 4.476 1.00 . A A . 80 ARG CD 1 1 11 4673 1 1 23 ARG CG C -4.969 5.932 3.578 1.00 . A A . 80 ARG CG 1 1 11 4674 1 1 23 ARG CZ C -6.568 7.367 6.647 1.00 . A A . 80 ARG CZ 1 1 11 4675 1 1 23 ARG H H -4.094 3.372 1.980 1.00 . A A . 80 ARG H 1 1 11 4676 1 1 23 ARG HA H -6.486 3.894 3.249 1.00 . A A . 80 ARG HA 1 1 11 4677 1 1 23 ARG HB2 H -4.576 5.396 1.566 1.00 . A A . 80 ARG HB2 1 1 11 4678 1 1 23 ARG HB3 H -6.142 6.119 1.827 1.00 . A A . 80 ARG HB3 1 1 11 4679 1 1 23 ARG HD2 H -6.783 6.975 3.965 1.00 . A A . 80 ARG HD2 1 1 11 4680 1 1 23 ARG HD3 H -6.705 5.362 4.668 1.00 . A A . 80 ARG HD3 1 1 11 4681 1 1 23 ARG HE H -4.757 6.849 5.951 1.00 . A A . 80 ARG HE 1 1 11 4682 1 1 23 ARG HG2 H -4.376 5.164 4.054 1.00 . A A . 80 ARG HG2 1 1 11 4683 1 1 23 ARG HG3 H -4.367 6.812 3.435 1.00 . A A . 80 ARG HG3 1 1 11 4684 1 1 23 ARG HH11 H -8.254 6.974 5.572 1.00 . A A . 80 ARG HH11 1 1 11 4685 1 1 23 ARG HH12 H -8.507 7.764 7.098 1.00 . A A . 80 ARG HH12 1 1 11 4686 1 1 23 ARG HH21 H -5.103 7.885 7.946 1.00 . A A . 80 ARG HH21 1 1 11 4687 1 1 23 ARG HH22 H -6.719 8.291 8.444 1.00 . A A . 80 ARG HH22 1 1 11 4688 1 1 23 ARG N N -5.030 3.060 2.059 1.00 . A A . 80 ARG N 1 1 11 4689 1 1 23 ARG NE N -5.730 6.844 5.752 1.00 . A A . 80 ARG NE 1 1 11 4690 1 1 23 ARG NH1 N -7.880 7.370 6.422 1.00 . A A . 80 ARG NH1 1 1 11 4691 1 1 23 ARG NH2 N -6.093 7.887 7.767 1.00 . A A . 80 ARG NH2 1 1 11 4692 1 1 23 ARG O O -8.324 4.311 1.486 1.00 . A A . 80 ARG O 1 1 11 4693 1 1 24 HIS C C -8.645 1.957 -0.774 1.00 . A A . 81 HIS C 1 1 11 4694 1 1 24 HIS CA C -7.831 3.232 -1.015 1.00 . A A . 81 HIS CA 1 1 11 4695 1 1 24 HIS CB C -7.138 3.175 -2.384 1.00 . A A . 81 HIS CB 1 1 11 4696 1 1 24 HIS CD2 C -8.919 4.136 -4.007 1.00 . A A . 81 HIS CD2 1 1 11 4697 1 1 24 HIS CE1 C -9.131 2.395 -5.319 1.00 . A A . 81 HIS CE1 1 1 11 4698 1 1 24 HIS CG C -8.085 3.174 -3.547 1.00 . A A . 81 HIS CG 1 1 11 4699 1 1 24 HIS H H -5.914 3.145 -0.110 1.00 . A A . 81 HIS H 1 1 11 4700 1 1 24 HIS HA H -8.501 4.079 -0.996 1.00 . A A . 81 HIS HA 1 1 11 4701 1 1 24 HIS HB2 H -6.492 4.032 -2.486 1.00 . A A . 81 HIS HB2 1 1 11 4702 1 1 24 HIS HB3 H -6.544 2.274 -2.439 1.00 . A A . 81 HIS HB3 1 1 11 4703 1 1 24 HIS HD1 H -7.770 1.230 -4.321 1.00 . A A . 81 HIS HD1 1 1 11 4704 1 1 24 HIS HD2 H -9.057 5.120 -3.581 1.00 . A A . 81 HIS HD2 1 1 11 4705 1 1 24 HIS HE1 H -9.460 1.740 -6.112 1.00 . A A . 81 HIS HE1 1 1 11 4706 1 1 24 HIS HE2 H -10.107 4.149 -5.740 1.00 . A A . 81 HIS HE2 1 1 11 4707 1 1 24 HIS N N -6.846 3.416 0.048 1.00 . A A . 81 HIS N 1 1 11 4708 1 1 24 HIS ND1 N -8.243 2.097 -4.392 1.00 . A A . 81 HIS ND1 1 1 11 4709 1 1 24 HIS NE2 N -9.557 3.627 -5.109 1.00 . A A . 81 HIS NE2 1 1 11 4710 1 1 24 HIS O O -9.619 1.681 -1.471 1.00 . A A . 81 HIS O 1 1 11 4711 1 1 25 HIS C C -9.974 0.190 1.664 1.00 . A A . 82 HIS C 1 1 11 4712 1 1 25 HIS CA C -8.927 -0.054 0.581 1.00 . A A . 82 HIS CA 1 1 11 4713 1 1 25 HIS CB C -7.918 -1.112 1.047 1.00 . A A . 82 HIS CB 1 1 11 4714 1 1 25 HIS CD2 C -6.156 -1.549 -0.791 1.00 . A A . 82 HIS CD2 1 1 11 4715 1 1 25 HIS CE1 C -6.897 -3.426 -1.575 1.00 . A A . 82 HIS CE1 1 1 11 4716 1 1 25 HIS CG C -7.261 -1.856 -0.075 1.00 . A A . 82 HIS CG 1 1 11 4717 1 1 25 HIS H H -7.462 1.466 0.761 1.00 . A A . 82 HIS H 1 1 11 4718 1 1 25 HIS HA H -9.426 -0.414 -0.306 1.00 . A A . 82 HIS HA 1 1 11 4719 1 1 25 HIS HB2 H -7.139 -0.627 1.616 1.00 . A A . 82 HIS HB2 1 1 11 4720 1 1 25 HIS HB3 H -8.417 -1.827 1.676 1.00 . A A . 82 HIS HB3 1 1 11 4721 1 1 25 HIS HD1 H -8.514 -3.555 -0.266 1.00 . A A . 82 HIS HD1 1 1 11 4722 1 1 25 HIS HD2 H -5.509 -0.698 -0.625 1.00 . A A . 82 HIS HD2 1 1 11 4723 1 1 25 HIS HE1 H -7.009 -4.327 -2.160 1.00 . A A . 82 HIS HE1 1 1 11 4724 1 1 25 HIS N N -8.241 1.186 0.229 1.00 . A A . 82 HIS N 1 1 11 4725 1 1 25 HIS ND1 N -7.721 -3.054 -0.582 1.00 . A A . 82 HIS ND1 1 1 11 4726 1 1 25 HIS NE2 N -5.934 -2.542 -1.739 1.00 . A A . 82 HIS NE2 1 1 11 4727 1 1 25 HIS O O -10.413 -0.741 2.339 1.00 . A A . 82 HIS O 1 1 11 4728 1 1 26 ASP C C -12.709 2.056 2.005 1.00 . A A . 83 ASP C 1 1 11 4729 1 1 26 ASP CA C -11.412 1.815 2.763 1.00 . A A . 83 ASP CA 1 1 11 4730 1 1 26 ASP CB C -11.017 3.068 3.553 1.00 . A A . 83 ASP CB 1 1 11 4731 1 1 26 ASP CG C -12.092 3.506 4.532 1.00 . A A . 83 ASP CG 1 1 11 4732 1 1 26 ASP H H -9.926 2.147 1.295 1.00 . A A . 83 ASP H 1 1 11 4733 1 1 26 ASP HA H -11.552 0.992 3.447 1.00 . A A . 83 ASP HA 1 1 11 4734 1 1 26 ASP HB2 H -10.112 2.863 4.112 1.00 . A A . 83 ASP HB2 1 1 11 4735 1 1 26 ASP HB3 H -10.835 3.879 2.860 1.00 . A A . 83 ASP HB3 1 1 11 4736 1 1 26 ASP N N -10.360 1.446 1.825 1.00 . A A . 83 ASP N 1 1 11 4737 1 1 26 ASP O O -13.610 1.196 2.064 1.00 . A A . 83 ASP O 1 1 11 4738 1 1 26 ASP OXT O -12.807 3.085 1.309 1.00 . A A . 83 ASP OXT 1 1 11 4739 1 1 26 ASP OD1 O -12.186 2.914 5.629 1.00 . A A . 83 ASP OD1 1 1 11 4740 1 1 26 ASP OD2 O -12.865 4.433 4.201 1.00 . A A . 83 ASP OD2 1 1 11 4741 2 2 1 ZN ZN ZN -4.054 -3.102 -2.137 1.00 . B A . 101 ZN ZN 1 1 12 4742 1 1 1 LYS C C 9.999 -3.435 1.085 1.00 . A A . 58 LYS C 1 1 12 4743 1 1 1 LYS CA C 11.065 -2.399 0.751 1.00 . A A . 58 LYS CA 1 1 12 4744 1 1 1 LYS CB C 10.434 -1.220 0.004 1.00 . A A . 58 LYS CB 1 1 12 4745 1 1 1 LYS CD C 11.748 0.566 1.181 1.00 . A A . 58 LYS CD 1 1 12 4746 1 1 1 LYS CE C 12.606 1.812 1.026 1.00 . A A . 58 LYS CE 1 1 12 4747 1 1 1 LYS CG C 11.366 -0.031 -0.164 1.00 . A A . 58 LYS CG 1 1 12 4748 1 1 1 LYS H1 H 12.888 -2.302 -0.257 1.00 . A A . 58 LYS H1 1 1 12 4749 1 1 1 LYS H2 H 11.757 -3.353 -0.966 1.00 . A A . 58 LYS H2 1 1 12 4750 1 1 1 LYS H3 H 12.566 -3.810 0.455 1.00 . A A . 58 LYS H3 1 1 12 4751 1 1 1 LYS HA H 11.498 -2.040 1.673 1.00 . A A . 58 LYS HA 1 1 12 4752 1 1 1 LYS HB2 H 10.128 -1.553 -0.977 1.00 . A A . 58 LYS HB2 1 1 12 4753 1 1 1 LYS HB3 H 9.561 -0.891 0.550 1.00 . A A . 58 LYS HB3 1 1 12 4754 1 1 1 LYS HD2 H 10.845 0.829 1.713 1.00 . A A . 58 LYS HD2 1 1 12 4755 1 1 1 LYS HD3 H 12.298 -0.172 1.747 1.00 . A A . 58 LYS HD3 1 1 12 4756 1 1 1 LYS HE2 H 12.068 2.528 0.423 1.00 . A A . 58 LYS HE2 1 1 12 4757 1 1 1 LYS HE3 H 12.785 2.234 2.005 1.00 . A A . 58 LYS HE3 1 1 12 4758 1 1 1 LYS HG2 H 12.263 -0.355 -0.671 1.00 . A A . 58 LYS HG2 1 1 12 4759 1 1 1 LYS HG3 H 10.869 0.726 -0.754 1.00 . A A . 58 LYS HG3 1 1 12 4760 1 1 1 LYS HZ1 H 14.523 2.369 0.417 1.00 . A A . 58 LYS HZ1 1 1 12 4761 1 1 1 LYS HZ2 H 13.777 1.262 -0.622 1.00 . A A . 58 LYS HZ2 1 1 12 4762 1 1 1 LYS HZ3 H 14.400 0.740 0.869 1.00 . A A . 58 LYS HZ3 1 1 12 4763 1 1 1 LYS N N 12.144 -3.005 -0.060 1.00 . A A . 58 LYS N 1 1 12 4764 1 1 1 LYS NZ N 13.915 1.524 0.376 1.00 . A A . 58 LYS NZ 1 1 12 4765 1 1 1 LYS O O 9.369 -4.001 0.192 1.00 . A A . 58 LYS O 1 1 12 4766 1 1 2 PRO C C 7.399 -4.144 2.948 1.00 . A A . 59 PRO C 1 1 12 4767 1 1 2 PRO CA C 8.820 -4.689 2.853 1.00 . A A . 59 PRO CA 1 1 12 4768 1 1 2 PRO CB C 9.336 -5.049 4.254 1.00 . A A . 59 PRO CB 1 1 12 4769 1 1 2 PRO CD C 10.419 -3.019 3.512 1.00 . A A . 59 PRO CD 1 1 12 4770 1 1 2 PRO CG C 10.457 -4.098 4.558 1.00 . A A . 59 PRO CG 1 1 12 4771 1 1 2 PRO HA H 8.828 -5.570 2.226 1.00 . A A . 59 PRO HA 1 1 12 4772 1 1 2 PRO HB2 H 8.532 -4.939 4.969 1.00 . A A . 59 PRO HB2 1 1 12 4773 1 1 2 PRO HB3 H 9.682 -6.073 4.254 1.00 . A A . 59 PRO HB3 1 1 12 4774 1 1 2 PRO HD2 H 9.831 -2.180 3.857 1.00 . A A . 59 PRO HD2 1 1 12 4775 1 1 2 PRO HD3 H 11.419 -2.704 3.254 1.00 . A A . 59 PRO HD3 1 1 12 4776 1 1 2 PRO HG2 H 10.314 -3.669 5.538 1.00 . A A . 59 PRO HG2 1 1 12 4777 1 1 2 PRO HG3 H 11.401 -4.624 4.516 1.00 . A A . 59 PRO HG3 1 1 12 4778 1 1 2 PRO N N 9.771 -3.687 2.386 1.00 . A A . 59 PRO N 1 1 12 4779 1 1 2 PRO O O 6.553 -4.696 3.652 1.00 . A A . 59 PRO O 1 1 12 4780 1 1 3 TYR C C 4.900 -3.043 1.265 1.00 . A A . 60 TYR C 1 1 12 4781 1 1 3 TYR CA C 5.853 -2.406 2.265 1.00 . A A . 60 TYR CA 1 1 12 4782 1 1 3 TYR CB C 6.006 -0.916 1.987 1.00 . A A . 60 TYR CB 1 1 12 4783 1 1 3 TYR CD1 C 7.655 -0.226 3.779 1.00 . A A . 60 TYR CD1 1 1 12 4784 1 1 3 TYR CD2 C 5.483 0.755 3.788 1.00 . A A . 60 TYR CD2 1 1 12 4785 1 1 3 TYR CE1 C 7.996 0.514 4.896 1.00 . A A . 60 TYR CE1 1 1 12 4786 1 1 3 TYR CE2 C 5.815 1.494 4.903 1.00 . A A . 60 TYR CE2 1 1 12 4787 1 1 3 TYR CG C 6.391 -0.115 3.208 1.00 . A A . 60 TYR CG 1 1 12 4788 1 1 3 TYR CZ C 7.070 1.372 5.455 1.00 . A A . 60 TYR CZ 1 1 12 4789 1 1 3 TYR H H 7.855 -2.687 1.673 1.00 . A A . 60 TYR H 1 1 12 4790 1 1 3 TYR HA H 5.443 -2.533 3.256 1.00 . A A . 60 TYR HA 1 1 12 4791 1 1 3 TYR HB2 H 6.772 -0.772 1.239 1.00 . A A . 60 TYR HB2 1 1 12 4792 1 1 3 TYR HB3 H 5.068 -0.528 1.616 1.00 . A A . 60 TYR HB3 1 1 12 4793 1 1 3 TYR HD1 H 8.374 -0.905 3.340 1.00 . A A . 60 TYR HD1 1 1 12 4794 1 1 3 TYR HD2 H 4.496 0.849 3.353 1.00 . A A . 60 TYR HD2 1 1 12 4795 1 1 3 TYR HE1 H 8.981 0.418 5.328 1.00 . A A . 60 TYR HE1 1 1 12 4796 1 1 3 TYR HE2 H 5.090 2.166 5.340 1.00 . A A . 60 TYR HE2 1 1 12 4797 1 1 3 TYR HH H 6.621 2.207 7.136 1.00 . A A . 60 TYR HH 1 1 12 4798 1 1 3 TYR N N 7.149 -3.057 2.239 1.00 . A A . 60 TYR N 1 1 12 4799 1 1 3 TYR O O 4.837 -2.652 0.098 1.00 . A A . 60 TYR O 1 1 12 4800 1 1 3 TYR OH O 7.401 2.120 6.563 1.00 . A A . 60 TYR OH 1 1 12 4801 1 1 4 VAL C C 1.813 -4.574 1.478 1.00 . A A . 61 VAL C 1 1 12 4802 1 1 4 VAL CA C 3.212 -4.744 0.919 1.00 . A A . 61 VAL CA 1 1 12 4803 1 1 4 VAL CB C 3.541 -6.247 0.858 1.00 . A A . 61 VAL CB 1 1 12 4804 1 1 4 VAL CG1 C 2.532 -6.994 0.001 1.00 . A A . 61 VAL CG1 1 1 12 4805 1 1 4 VAL CG2 C 4.944 -6.451 0.333 1.00 . A A . 61 VAL CG2 1 1 12 4806 1 1 4 VAL H H 4.281 -4.310 2.668 1.00 . A A . 61 VAL H 1 1 12 4807 1 1 4 VAL HA H 3.251 -4.340 -0.083 1.00 . A A . 61 VAL HA 1 1 12 4808 1 1 4 VAL HB H 3.494 -6.646 1.861 1.00 . A A . 61 VAL HB 1 1 12 4809 1 1 4 VAL HG11 H 1.545 -6.872 0.424 1.00 . A A . 61 VAL HG11 1 1 12 4810 1 1 4 VAL HG12 H 2.786 -8.041 -0.025 1.00 . A A . 61 VAL HG12 1 1 12 4811 1 1 4 VAL HG13 H 2.546 -6.592 -1.000 1.00 . A A . 61 VAL HG13 1 1 12 4812 1 1 4 VAL HG21 H 5.655 -6.033 1.028 1.00 . A A . 61 VAL HG21 1 1 12 4813 1 1 4 VAL HG22 H 5.037 -5.952 -0.620 1.00 . A A . 61 VAL HG22 1 1 12 4814 1 1 4 VAL HG23 H 5.136 -7.506 0.209 1.00 . A A . 61 VAL HG23 1 1 12 4815 1 1 4 VAL N N 4.170 -4.037 1.736 1.00 . A A . 61 VAL N 1 1 12 4816 1 1 4 VAL O O 1.606 -4.639 2.690 1.00 . A A . 61 VAL O 1 1 12 4817 1 1 5 CYS C C -0.932 -5.822 1.170 1.00 . A A . 62 CYS C 1 1 12 4818 1 1 5 CYS CA C -0.534 -4.374 0.989 1.00 . A A . 62 CYS CA 1 1 12 4819 1 1 5 CYS CB C -1.430 -3.733 -0.074 1.00 . A A . 62 CYS CB 1 1 12 4820 1 1 5 CYS H H 1.105 -4.157 -0.337 1.00 . A A . 62 CYS H 1 1 12 4821 1 1 5 CYS HA H -0.644 -3.852 1.928 1.00 . A A . 62 CYS HA 1 1 12 4822 1 1 5 CYS HB2 H -1.181 -2.699 -0.173 1.00 . A A . 62 CYS HB2 1 1 12 4823 1 1 5 CYS HB3 H -1.267 -4.234 -1.012 1.00 . A A . 62 CYS HB3 1 1 12 4824 1 1 5 CYS N N 0.861 -4.340 0.600 1.00 . A A . 62 CYS N 1 1 12 4825 1 1 5 CYS O O -1.292 -6.485 0.206 1.00 . A A . 62 CYS O 1 1 12 4826 1 1 5 CYS SG S -3.192 -3.809 0.288 1.00 . A A . 62 CYS SG 1 1 12 4827 1 1 6 GLU C C -2.667 -7.952 2.372 1.00 . A A . 63 GLU C 1 1 12 4828 1 1 6 GLU CA C -1.188 -7.708 2.671 1.00 . A A . 63 GLU CA 1 1 12 4829 1 1 6 GLU CB C -0.865 -8.044 4.126 1.00 . A A . 63 GLU CB 1 1 12 4830 1 1 6 GLU CD C -0.621 -9.825 5.888 1.00 . A A . 63 GLU CD 1 1 12 4831 1 1 6 GLU CG C -0.849 -9.533 4.422 1.00 . A A . 63 GLU CG 1 1 12 4832 1 1 6 GLU H H -0.559 -5.737 3.129 1.00 . A A . 63 GLU H 1 1 12 4833 1 1 6 GLU HA H -0.591 -8.330 2.020 1.00 . A A . 63 GLU HA 1 1 12 4834 1 1 6 GLU HB2 H 0.107 -7.642 4.369 1.00 . A A . 63 GLU HB2 1 1 12 4835 1 1 6 GLU HB3 H -1.604 -7.581 4.763 1.00 . A A . 63 GLU HB3 1 1 12 4836 1 1 6 GLU HG2 H -1.798 -9.957 4.129 1.00 . A A . 63 GLU HG2 1 1 12 4837 1 1 6 GLU HG3 H -0.057 -9.994 3.850 1.00 . A A . 63 GLU HG3 1 1 12 4838 1 1 6 GLU N N -0.852 -6.318 2.394 1.00 . A A . 63 GLU N 1 1 12 4839 1 1 6 GLU O O -3.122 -9.091 2.286 1.00 . A A . 63 GLU O 1 1 12 4840 1 1 6 GLU OE1 O 0.543 -9.772 6.338 1.00 . A A . 63 GLU OE1 1 1 12 4841 1 1 6 GLU OE2 O -1.612 -10.101 6.600 1.00 . A A . 63 GLU OE2 1 1 12 4842 1 1 7 ARG C C -4.967 -7.396 0.388 1.00 . A A . 64 ARG C 1 1 12 4843 1 1 7 ARG CA C -4.795 -6.905 1.830 1.00 . A A . 64 ARG CA 1 1 12 4844 1 1 7 ARG CB C -5.421 -5.524 2.007 1.00 . A A . 64 ARG CB 1 1 12 4845 1 1 7 ARG CD C -5.848 -3.592 3.567 1.00 . A A . 64 ARG CD 1 1 12 4846 1 1 7 ARG CG C -5.231 -4.971 3.406 1.00 . A A . 64 ARG CG 1 1 12 4847 1 1 7 ARG CZ C -8.169 -2.849 3.948 1.00 . A A . 64 ARG CZ 1 1 12 4848 1 1 7 ARG H H -3.000 -5.988 2.409 1.00 . A A . 64 ARG H 1 1 12 4849 1 1 7 ARG HA H -5.296 -7.598 2.490 1.00 . A A . 64 ARG HA 1 1 12 4850 1 1 7 ARG HB2 H -4.968 -4.842 1.305 1.00 . A A . 64 ARG HB2 1 1 12 4851 1 1 7 ARG HB3 H -6.476 -5.590 1.808 1.00 . A A . 64 ARG HB3 1 1 12 4852 1 1 7 ARG HD2 H -5.695 -3.266 4.587 1.00 . A A . 64 ARG HD2 1 1 12 4853 1 1 7 ARG HD3 H -5.353 -2.907 2.889 1.00 . A A . 64 ARG HD3 1 1 12 4854 1 1 7 ARG HE H -7.601 -4.153 2.535 1.00 . A A . 64 ARG HE 1 1 12 4855 1 1 7 ARG HG2 H -5.687 -5.643 4.109 1.00 . A A . 64 ARG HG2 1 1 12 4856 1 1 7 ARG HG3 H -4.173 -4.904 3.610 1.00 . A A . 64 ARG HG3 1 1 12 4857 1 1 7 ARG HH11 H -6.815 -2.099 5.267 1.00 . A A . 64 ARG HH11 1 1 12 4858 1 1 7 ARG HH12 H -8.448 -1.528 5.467 1.00 . A A . 64 ARG HH12 1 1 12 4859 1 1 7 ARG HH21 H -9.737 -3.431 2.801 1.00 . A A . 64 ARG HH21 1 1 12 4860 1 1 7 ARG HH22 H -10.127 -2.326 4.088 1.00 . A A . 64 ARG HH22 1 1 12 4861 1 1 7 ARG N N -3.404 -6.858 2.219 1.00 . A A . 64 ARG N 1 1 12 4862 1 1 7 ARG NE N -7.282 -3.586 3.284 1.00 . A A . 64 ARG NE 1 1 12 4863 1 1 7 ARG NH1 N -7.782 -2.106 4.977 1.00 . A A . 64 ARG NH1 1 1 12 4864 1 1 7 ARG NH2 N -9.443 -2.867 3.583 1.00 . A A . 64 ARG NH2 1 1 12 4865 1 1 7 ARG O O -5.703 -8.358 0.157 1.00 . A A . 64 ARG O 1 1 12 4866 1 1 8 CYS C C -3.227 -7.661 -2.673 1.00 . A A . 65 CYS C 1 1 12 4867 1 1 8 CYS CA C -4.514 -7.190 -1.984 1.00 . A A . 65 CYS CA 1 1 12 4868 1 1 8 CYS CB C -5.193 -6.084 -2.801 1.00 . A A . 65 CYS CB 1 1 12 4869 1 1 8 CYS H H -3.658 -6.032 -0.382 1.00 . A A . 65 CYS H 1 1 12 4870 1 1 8 CYS HA H -5.188 -8.035 -1.945 1.00 . A A . 65 CYS HA 1 1 12 4871 1 1 8 CYS HB2 H -5.520 -6.499 -3.747 1.00 . A A . 65 CYS HB2 1 1 12 4872 1 1 8 CYS HB3 H -6.055 -5.723 -2.251 1.00 . A A . 65 CYS HB3 1 1 12 4873 1 1 8 CYS N N -4.295 -6.768 -0.593 1.00 . A A . 65 CYS N 1 1 12 4874 1 1 8 CYS O O -3.240 -8.008 -3.852 1.00 . A A . 65 CYS O 1 1 12 4875 1 1 8 CYS SG S -4.144 -4.665 -3.170 1.00 . A A . 65 CYS SG 1 1 12 4876 1 1 9 GLY C C -0.086 -7.273 -3.339 1.00 . A A . 66 GLY C 1 1 12 4877 1 1 9 GLY CA C -0.885 -8.229 -2.465 1.00 . A A . 66 GLY CA 1 1 12 4878 1 1 9 GLY H H -2.137 -7.290 -1.038 1.00 . A A . 66 GLY H 1 1 12 4879 1 1 9 GLY HA2 H -0.264 -8.528 -1.631 1.00 . A A . 66 GLY HA2 1 1 12 4880 1 1 9 GLY HA3 H -1.129 -9.107 -3.050 1.00 . A A . 66 GLY HA3 1 1 12 4881 1 1 9 GLY N N -2.121 -7.666 -1.944 1.00 . A A . 66 GLY N 1 1 12 4882 1 1 9 GLY O O 0.845 -7.693 -4.025 1.00 . A A . 66 GLY O 1 1 12 4883 1 1 10 LYS C C 1.343 -4.309 -3.262 1.00 . A A . 67 LYS C 1 1 12 4884 1 1 10 LYS CA C 0.309 -5.018 -4.119 1.00 . A A . 67 LYS CA 1 1 12 4885 1 1 10 LYS CB C -0.616 -4.002 -4.778 1.00 . A A . 67 LYS CB 1 1 12 4886 1 1 10 LYS CD C -0.702 -5.494 -6.792 1.00 . A A . 67 LYS CD 1 1 12 4887 1 1 10 LYS CE C -1.557 -6.024 -7.932 1.00 . A A . 67 LYS CE 1 1 12 4888 1 1 10 LYS CG C -1.499 -4.603 -5.853 1.00 . A A . 67 LYS CG 1 1 12 4889 1 1 10 LYS H H -1.221 -5.710 -2.830 1.00 . A A . 67 LYS H 1 1 12 4890 1 1 10 LYS HA H 0.828 -5.561 -4.897 1.00 . A A . 67 LYS HA 1 1 12 4891 1 1 10 LYS HB2 H -1.252 -3.567 -4.022 1.00 . A A . 67 LYS HB2 1 1 12 4892 1 1 10 LYS HB3 H -0.018 -3.224 -5.226 1.00 . A A . 67 LYS HB3 1 1 12 4893 1 1 10 LYS HD2 H 0.117 -4.925 -7.204 1.00 . A A . 67 LYS HD2 1 1 12 4894 1 1 10 LYS HD3 H -0.313 -6.329 -6.227 1.00 . A A . 67 LYS HD3 1 1 12 4895 1 1 10 LYS HE2 H -2.401 -6.553 -7.517 1.00 . A A . 67 LYS HE2 1 1 12 4896 1 1 10 LYS HE3 H -1.910 -5.190 -8.522 1.00 . A A . 67 LYS HE3 1 1 12 4897 1 1 10 LYS HG2 H -2.270 -5.190 -5.385 1.00 . A A . 67 LYS HG2 1 1 12 4898 1 1 10 LYS HG3 H -1.942 -3.803 -6.423 1.00 . A A . 67 LYS HG3 1 1 12 4899 1 1 10 LYS HZ1 H -1.350 -7.195 -9.655 1.00 . A A . 67 LYS HZ1 1 1 12 4900 1 1 10 LYS HZ2 H -0.564 -7.829 -8.295 1.00 . A A . 67 LYS HZ2 1 1 12 4901 1 1 10 LYS HZ3 H 0.099 -6.498 -9.116 1.00 . A A . 67 LYS HZ3 1 1 12 4902 1 1 10 LYS N N -0.442 -5.994 -3.342 1.00 . A A . 67 LYS N 1 1 12 4903 1 1 10 LYS NZ N -0.791 -6.949 -8.810 1.00 . A A . 67 LYS NZ 1 1 12 4904 1 1 10 LYS O O 1.060 -3.894 -2.137 1.00 . A A . 67 LYS O 1 1 12 4905 1 1 11 ARG C C 3.875 -2.145 -3.443 1.00 . A A . 68 ARG C 1 1 12 4906 1 1 11 ARG CA C 3.654 -3.601 -3.087 1.00 . A A . 68 ARG CA 1 1 12 4907 1 1 11 ARG CB C 4.908 -4.388 -3.396 1.00 . A A . 68 ARG CB 1 1 12 4908 1 1 11 ARG CD C 6.079 -6.576 -3.141 1.00 . A A . 68 ARG CD 1 1 12 4909 1 1 11 ARG CG C 4.791 -5.810 -2.943 1.00 . A A . 68 ARG CG 1 1 12 4910 1 1 11 ARG CZ C 6.468 -7.839 -5.220 1.00 . A A . 68 ARG CZ 1 1 12 4911 1 1 11 ARG H H 2.704 -4.559 -4.695 1.00 . A A . 68 ARG H 1 1 12 4912 1 1 11 ARG HA H 3.452 -3.674 -2.029 1.00 . A A . 68 ARG HA 1 1 12 4913 1 1 11 ARG HB2 H 5.080 -4.376 -4.464 1.00 . A A . 68 ARG HB2 1 1 12 4914 1 1 11 ARG HB3 H 5.742 -3.937 -2.890 1.00 . A A . 68 ARG HB3 1 1 12 4915 1 1 11 ARG HD2 H 6.866 -6.066 -2.611 1.00 . A A . 68 ARG HD2 1 1 12 4916 1 1 11 ARG HD3 H 5.952 -7.564 -2.732 1.00 . A A . 68 ARG HD3 1 1 12 4917 1 1 11 ARG HE H 6.720 -5.864 -5.017 1.00 . A A . 68 ARG HE 1 1 12 4918 1 1 11 ARG HG2 H 4.536 -5.803 -1.893 1.00 . A A . 68 ARG HG2 1 1 12 4919 1 1 11 ARG HG3 H 4.005 -6.287 -3.508 1.00 . A A . 68 ARG HG3 1 1 12 4920 1 1 11 ARG HH11 H 5.819 -8.958 -3.652 1.00 . A A . 68 ARG HH11 1 1 12 4921 1 1 11 ARG HH12 H 6.102 -9.834 -5.130 1.00 . A A . 68 ARG HH12 1 1 12 4922 1 1 11 ARG HH21 H 7.131 -7.007 -6.947 1.00 . A A . 68 ARG HH21 1 1 12 4923 1 1 11 ARG HH22 H 6.869 -8.728 -7.004 1.00 . A A . 68 ARG HH22 1 1 12 4924 1 1 11 ARG N N 2.546 -4.197 -3.796 1.00 . A A . 68 ARG N 1 1 12 4925 1 1 11 ARG NE N 6.452 -6.690 -4.548 1.00 . A A . 68 ARG NE 1 1 12 4926 1 1 11 ARG NH1 N 6.105 -8.965 -4.620 1.00 . A A . 68 ARG NH1 1 1 12 4927 1 1 11 ARG NH2 N 6.853 -7.858 -6.491 1.00 . A A . 68 ARG NH2 1 1 12 4928 1 1 11 ARG O O 3.484 -1.677 -4.514 1.00 . A A . 68 ARG O 1 1 12 4929 1 1 12 PHE C C 6.242 0.189 -2.046 1.00 . A A . 69 PHE C 1 1 12 4930 1 1 12 PHE CA C 4.907 -0.060 -2.699 1.00 . A A . 69 PHE CA 1 1 12 4931 1 1 12 PHE CB C 3.854 0.888 -2.131 1.00 . A A . 69 PHE CB 1 1 12 4932 1 1 12 PHE CD1 C 1.663 0.516 -3.291 1.00 . A A . 69 PHE CD1 1 1 12 4933 1 1 12 PHE CD2 C 2.956 2.419 -3.909 1.00 . A A . 69 PHE CD2 1 1 12 4934 1 1 12 PHE CE1 C 0.690 0.876 -4.205 1.00 . A A . 69 PHE CE1 1 1 12 4935 1 1 12 PHE CE2 C 1.985 2.785 -4.821 1.00 . A A . 69 PHE CE2 1 1 12 4936 1 1 12 PHE CG C 2.808 1.281 -3.135 1.00 . A A . 69 PHE CG 1 1 12 4937 1 1 12 PHE CZ C 0.894 2.003 -5.017 1.00 . A A . 69 PHE CZ 1 1 12 4938 1 1 12 PHE H H 4.791 -1.914 -1.699 1.00 . A A . 69 PHE H 1 1 12 4939 1 1 12 PHE HA H 5.013 0.133 -3.755 1.00 . A A . 69 PHE HA 1 1 12 4940 1 1 12 PHE HB2 H 3.362 0.405 -1.304 1.00 . A A . 69 PHE HB2 1 1 12 4941 1 1 12 PHE HB3 H 4.341 1.790 -1.781 1.00 . A A . 69 PHE HB3 1 1 12 4942 1 1 12 PHE HD1 H 1.538 -0.374 -2.692 1.00 . A A . 69 PHE HD1 1 1 12 4943 1 1 12 PHE HD2 H 3.843 3.025 -3.798 1.00 . A A . 69 PHE HD2 1 1 12 4944 1 1 12 PHE HE1 H -0.196 0.269 -4.318 1.00 . A A . 69 PHE HE1 1 1 12 4945 1 1 12 PHE HE2 H 2.115 3.675 -5.419 1.00 . A A . 69 PHE HE2 1 1 12 4946 1 1 12 PHE HZ H 0.151 2.283 -5.749 1.00 . A A . 69 PHE HZ 1 1 12 4947 1 1 12 PHE N N 4.528 -1.454 -2.528 1.00 . A A . 69 PHE N 1 1 12 4948 1 1 12 PHE O O 6.530 -0.296 -0.953 1.00 . A A . 69 PHE O 1 1 12 4949 1 1 13 VAL C C 8.429 2.362 -1.327 1.00 . A A . 70 VAL C 1 1 12 4950 1 1 13 VAL CA C 8.395 1.221 -2.338 1.00 . A A . 70 VAL CA 1 1 12 4951 1 1 13 VAL CB C 9.235 1.574 -3.578 1.00 . A A . 70 VAL CB 1 1 12 4952 1 1 13 VAL CG1 C 10.595 2.069 -3.181 1.00 . A A . 70 VAL CG1 1 1 12 4953 1 1 13 VAL CG2 C 9.352 0.373 -4.503 1.00 . A A . 70 VAL CG2 1 1 12 4954 1 1 13 VAL H H 6.735 1.320 -3.577 1.00 . A A . 70 VAL H 1 1 12 4955 1 1 13 VAL HA H 8.807 0.332 -1.886 1.00 . A A . 70 VAL HA 1 1 12 4956 1 1 13 VAL HB H 8.734 2.364 -4.116 1.00 . A A . 70 VAL HB 1 1 12 4957 1 1 13 VAL HG11 H 10.477 2.940 -2.559 1.00 . A A . 70 VAL HG11 1 1 12 4958 1 1 13 VAL HG12 H 11.156 2.324 -4.065 1.00 . A A . 70 VAL HG12 1 1 12 4959 1 1 13 VAL HG13 H 11.109 1.300 -2.630 1.00 . A A . 70 VAL HG13 1 1 12 4960 1 1 13 VAL HG21 H 9.814 -0.447 -3.976 1.00 . A A . 70 VAL HG21 1 1 12 4961 1 1 13 VAL HG22 H 9.956 0.636 -5.358 1.00 . A A . 70 VAL HG22 1 1 12 4962 1 1 13 VAL HG23 H 8.368 0.079 -4.835 1.00 . A A . 70 VAL HG23 1 1 12 4963 1 1 13 VAL N N 7.053 0.939 -2.745 1.00 . A A . 70 VAL N 1 1 12 4964 1 1 13 VAL O O 9.291 2.403 -0.445 1.00 . A A . 70 VAL O 1 1 12 4965 1 1 14 GLN C C 6.552 4.255 0.575 1.00 . A A . 71 GLN C 1 1 12 4966 1 1 14 GLN CA C 7.481 4.441 -0.608 1.00 . A A . 71 GLN CA 1 1 12 4967 1 1 14 GLN CB C 7.058 5.621 -1.455 1.00 . A A . 71 GLN CB 1 1 12 4968 1 1 14 GLN CD C 7.795 7.155 -3.338 1.00 . A A . 71 GLN CD 1 1 12 4969 1 1 14 GLN CG C 7.899 5.776 -2.713 1.00 . A A . 71 GLN CG 1 1 12 4970 1 1 14 GLN H H 6.742 3.169 -2.057 1.00 . A A . 71 GLN H 1 1 12 4971 1 1 14 GLN HA H 8.487 4.602 -0.252 1.00 . A A . 71 GLN HA 1 1 12 4972 1 1 14 GLN HB2 H 6.023 5.488 -1.751 1.00 . A A . 71 GLN HB2 1 1 12 4973 1 1 14 GLN HB3 H 7.148 6.503 -0.873 1.00 . A A . 71 GLN HB3 1 1 12 4974 1 1 14 GLN HE21 H 9.634 6.981 -4.063 1.00 . A A . 71 GLN HE21 1 1 12 4975 1 1 14 GLN HE22 H 8.823 8.470 -4.423 1.00 . A A . 71 GLN HE22 1 1 12 4976 1 1 14 GLN HG2 H 8.928 5.586 -2.460 1.00 . A A . 71 GLN HG2 1 1 12 4977 1 1 14 GLN HG3 H 7.570 5.045 -3.438 1.00 . A A . 71 GLN HG3 1 1 12 4978 1 1 14 GLN N N 7.475 3.278 -1.428 1.00 . A A . 71 GLN N 1 1 12 4979 1 1 14 GLN NE2 N 8.856 7.575 -4.008 1.00 . A A . 71 GLN NE2 1 1 12 4980 1 1 14 GLN O O 5.397 3.860 0.397 1.00 . A A . 71 GLN O 1 1 12 4981 1 1 14 GLN OE1 O 6.775 7.832 -3.222 1.00 . A A . 71 GLN OE1 1 1 12 4982 1 1 15 SER C C 4.918 4.717 2.979 1.00 . A A . 72 SER C 1 1 12 4983 1 1 15 SER CA C 6.350 4.197 3.001 1.00 . A A . 72 SER CA 1 1 12 4984 1 1 15 SER CB C 7.120 4.776 4.187 1.00 . A A . 72 SER CB 1 1 12 4985 1 1 15 SER H H 7.934 4.953 1.830 1.00 . A A . 72 SER H 1 1 12 4986 1 1 15 SER HA H 6.325 3.123 3.095 1.00 . A A . 72 SER HA 1 1 12 4987 1 1 15 SER HB2 H 7.136 5.853 4.115 1.00 . A A . 72 SER HB2 1 1 12 4988 1 1 15 SER HB3 H 6.640 4.480 5.107 1.00 . A A . 72 SER HB3 1 1 12 4989 1 1 15 SER HG H 8.568 3.668 4.914 1.00 . A A . 72 SER HG 1 1 12 4990 1 1 15 SER N N 7.058 4.518 1.770 1.00 . A A . 72 SER N 1 1 12 4991 1 1 15 SER O O 3.962 3.954 3.171 1.00 . A A . 72 SER O 1 1 12 4992 1 1 15 SER OG O 8.457 4.295 4.191 1.00 . A A . 72 SER OG 1 1 12 4993 1 1 16 SER C C 2.591 6.145 1.563 1.00 . A A . 73 SER C 1 1 12 4994 1 1 16 SER CA C 3.481 6.651 2.694 1.00 . A A . 73 SER CA 1 1 12 4995 1 1 16 SER CB C 3.667 8.163 2.581 1.00 . A A . 73 SER CB 1 1 12 4996 1 1 16 SER H H 5.572 6.531 2.453 1.00 . A A . 73 SER H 1 1 12 4997 1 1 16 SER HA H 3.005 6.428 3.636 1.00 . A A . 73 SER HA 1 1 12 4998 1 1 16 SER HB2 H 4.061 8.405 1.605 1.00 . A A . 73 SER HB2 1 1 12 4999 1 1 16 SER HB3 H 2.714 8.652 2.717 1.00 . A A . 73 SER HB3 1 1 12 5000 1 1 16 SER HG H 4.204 9.438 3.976 1.00 . A A . 73 SER HG 1 1 12 5001 1 1 16 SER N N 4.776 6.001 2.686 1.00 . A A . 73 SER N 1 1 12 5002 1 1 16 SER O O 1.368 6.163 1.681 1.00 . A A . 73 SER O 1 1 12 5003 1 1 16 SER OG O 4.569 8.635 3.568 1.00 . A A . 73 SER OG 1 1 12 5004 1 1 17 GLN C C 1.741 3.950 -0.488 1.00 . A A . 74 GLN C 1 1 12 5005 1 1 17 GLN CA C 2.431 5.286 -0.691 1.00 . A A . 74 GLN CA 1 1 12 5006 1 1 17 GLN CB C 3.324 5.258 -1.927 1.00 . A A . 74 GLN CB 1 1 12 5007 1 1 17 GLN CD C 2.884 7.702 -2.407 1.00 . A A . 74 GLN CD 1 1 12 5008 1 1 17 GLN CG C 3.928 6.613 -2.261 1.00 . A A . 74 GLN CG 1 1 12 5009 1 1 17 GLN H H 4.164 5.485 0.493 1.00 . A A . 74 GLN H 1 1 12 5010 1 1 17 GLN HA H 1.673 6.043 -0.829 1.00 . A A . 74 GLN HA 1 1 12 5011 1 1 17 GLN HB2 H 4.134 4.558 -1.756 1.00 . A A . 74 GLN HB2 1 1 12 5012 1 1 17 GLN HB3 H 2.737 4.929 -2.774 1.00 . A A . 74 GLN HB3 1 1 12 5013 1 1 17 GLN HE21 H 2.709 7.294 -4.346 1.00 . A A . 74 GLN HE21 1 1 12 5014 1 1 17 GLN HE22 H 1.703 8.569 -3.741 1.00 . A A . 74 GLN HE22 1 1 12 5015 1 1 17 GLN HG2 H 4.609 6.896 -1.471 1.00 . A A . 74 GLN HG2 1 1 12 5016 1 1 17 GLN HG3 H 4.473 6.530 -3.191 1.00 . A A . 74 GLN HG3 1 1 12 5017 1 1 17 GLN N N 3.195 5.648 0.485 1.00 . A A . 74 GLN N 1 1 12 5018 1 1 17 GLN NE2 N 2.380 7.876 -3.617 1.00 . A A . 74 GLN NE2 1 1 12 5019 1 1 17 GLN O O 0.753 3.651 -1.151 1.00 . A A . 74 GLN O 1 1 12 5020 1 1 17 GLN OE1 O 2.534 8.381 -1.441 1.00 . A A . 74 GLN OE1 1 1 12 5021 1 1 18 LEU C C 0.258 2.266 1.499 1.00 . A A . 75 LEU C 1 1 12 5022 1 1 18 LEU CA C 1.575 1.930 0.826 1.00 . A A . 75 LEU CA 1 1 12 5023 1 1 18 LEU CB C 2.448 1.103 1.774 1.00 . A A . 75 LEU CB 1 1 12 5024 1 1 18 LEU CD1 C 1.096 -0.938 1.379 1.00 . A A . 75 LEU CD1 1 1 12 5025 1 1 18 LEU CD2 C 2.666 -0.876 3.306 1.00 . A A . 75 LEU CD2 1 1 12 5026 1 1 18 LEU CG C 1.723 -0.066 2.439 1.00 . A A . 75 LEU CG 1 1 12 5027 1 1 18 LEU H H 3.102 3.395 0.866 1.00 . A A . 75 LEU H 1 1 12 5028 1 1 18 LEU HA H 1.369 1.364 -0.069 1.00 . A A . 75 LEU HA 1 1 12 5029 1 1 18 LEU HB2 H 3.287 0.713 1.212 1.00 . A A . 75 LEU HB2 1 1 12 5030 1 1 18 LEU HB3 H 2.822 1.758 2.553 1.00 . A A . 75 LEU HB3 1 1 12 5031 1 1 18 LEU HD11 H 1.872 -1.362 0.760 1.00 . A A . 75 LEU HD11 1 1 12 5032 1 1 18 LEU HD12 H 0.439 -0.329 0.773 1.00 . A A . 75 LEU HD12 1 1 12 5033 1 1 18 LEU HD13 H 0.531 -1.728 1.848 1.00 . A A . 75 LEU HD13 1 1 12 5034 1 1 18 LEU HD21 H 3.482 -1.246 2.701 1.00 . A A . 75 LEU HD21 1 1 12 5035 1 1 18 LEU HD22 H 2.132 -1.710 3.736 1.00 . A A . 75 LEU HD22 1 1 12 5036 1 1 18 LEU HD23 H 3.054 -0.252 4.096 1.00 . A A . 75 LEU HD23 1 1 12 5037 1 1 18 LEU HG H 0.931 0.319 3.066 1.00 . A A . 75 LEU HG 1 1 12 5038 1 1 18 LEU N N 2.252 3.155 0.439 1.00 . A A . 75 LEU N 1 1 12 5039 1 1 18 LEU O O -0.804 1.769 1.117 1.00 . A A . 75 LEU O 1 1 12 5040 1 1 19 ALA C C -1.695 4.378 2.186 1.00 . A A . 76 ALA C 1 1 12 5041 1 1 19 ALA CA C -0.835 3.620 3.175 1.00 . A A . 76 ALA CA 1 1 12 5042 1 1 19 ALA CB C -0.450 4.508 4.349 1.00 . A A . 76 ALA CB 1 1 12 5043 1 1 19 ALA H H 1.230 3.352 2.839 1.00 . A A . 76 ALA H 1 1 12 5044 1 1 19 ALA HA H -1.409 2.782 3.551 1.00 . A A . 76 ALA HA 1 1 12 5045 1 1 19 ALA HB1 H -1.342 4.822 4.871 1.00 . A A . 76 ALA HB1 1 1 12 5046 1 1 19 ALA HB2 H 0.078 5.377 3.985 1.00 . A A . 76 ALA HB2 1 1 12 5047 1 1 19 ALA HB3 H 0.186 3.956 5.025 1.00 . A A . 76 ALA HB3 1 1 12 5048 1 1 19 ALA N N 0.345 3.100 2.515 1.00 . A A . 76 ALA N 1 1 12 5049 1 1 19 ALA O O -2.916 4.314 2.255 1.00 . A A . 76 ALA O 1 1 12 5050 1 1 20 ASN C C -2.602 4.730 -0.598 1.00 . A A . 77 ASN C 1 1 12 5051 1 1 20 ASN CA C -1.797 5.755 0.193 1.00 . A A . 77 ASN CA 1 1 12 5052 1 1 20 ASN CB C -0.850 6.514 -0.740 1.00 . A A . 77 ASN CB 1 1 12 5053 1 1 20 ASN CG C -1.588 7.340 -1.776 1.00 . A A . 77 ASN CG 1 1 12 5054 1 1 20 ASN H H -0.069 5.154 1.279 1.00 . A A . 77 ASN H 1 1 12 5055 1 1 20 ASN HA H -2.478 6.456 0.656 1.00 . A A . 77 ASN HA 1 1 12 5056 1 1 20 ASN HB2 H -0.231 7.178 -0.152 1.00 . A A . 77 ASN HB2 1 1 12 5057 1 1 20 ASN HB3 H -0.219 5.803 -1.255 1.00 . A A . 77 ASN HB3 1 1 12 5058 1 1 20 ASN HD21 H -1.535 8.925 -0.578 1.00 . A A . 77 ASN HD21 1 1 12 5059 1 1 20 ASN HD22 H -2.306 9.167 -2.120 1.00 . A A . 77 ASN HD22 1 1 12 5060 1 1 20 ASN N N -1.059 5.081 1.251 1.00 . A A . 77 ASN N 1 1 12 5061 1 1 20 ASN ND2 N -1.837 8.602 -1.457 1.00 . A A . 77 ASN ND2 1 1 12 5062 1 1 20 ASN O O -3.789 4.923 -0.855 1.00 . A A . 77 ASN O 1 1 12 5063 1 1 20 ASN OD1 O -1.925 6.853 -2.852 1.00 . A A . 77 ASN OD1 1 1 12 5064 1 1 21 HIS C C -3.796 1.996 -0.903 1.00 . A A . 78 HIS C 1 1 12 5065 1 1 21 HIS CA C -2.588 2.534 -1.668 1.00 . A A . 78 HIS CA 1 1 12 5066 1 1 21 HIS CB C -1.560 1.419 -1.908 1.00 . A A . 78 HIS CB 1 1 12 5067 1 1 21 HIS CD2 C -2.373 -1.015 -1.696 1.00 . A A . 78 HIS CD2 1 1 12 5068 1 1 21 HIS CE1 C -2.936 -1.394 -3.752 1.00 . A A . 78 HIS CE1 1 1 12 5069 1 1 21 HIS CG C -2.130 0.122 -2.386 1.00 . A A . 78 HIS CG 1 1 12 5070 1 1 21 HIS H H -0.996 3.526 -0.690 1.00 . A A . 78 HIS H 1 1 12 5071 1 1 21 HIS HA H -2.920 2.916 -2.621 1.00 . A A . 78 HIS HA 1 1 12 5072 1 1 21 HIS HB2 H -0.851 1.752 -2.649 1.00 . A A . 78 HIS HB2 1 1 12 5073 1 1 21 HIS HB3 H -1.036 1.226 -0.979 1.00 . A A . 78 HIS HB3 1 1 12 5074 1 1 21 HIS HD1 H -2.456 0.505 -4.441 1.00 . A A . 78 HIS HD1 1 1 12 5075 1 1 21 HIS HD2 H -2.199 -1.160 -0.644 1.00 . A A . 78 HIS HD2 1 1 12 5076 1 1 21 HIS HE1 H -3.291 -1.871 -4.655 1.00 . A A . 78 HIS HE1 1 1 12 5077 1 1 21 HIS N N -1.951 3.621 -0.941 1.00 . A A . 78 HIS N 1 1 12 5078 1 1 21 HIS ND1 N -2.494 -0.135 -3.687 1.00 . A A . 78 HIS ND1 1 1 12 5079 1 1 21 HIS NE2 N -2.886 -1.980 -2.561 1.00 . A A . 78 HIS NE2 1 1 12 5080 1 1 21 HIS O O -4.892 1.887 -1.448 1.00 . A A . 78 HIS O 1 1 12 5081 1 1 22 ILE C C -5.710 2.090 1.557 1.00 . A A . 79 ILE C 1 1 12 5082 1 1 22 ILE CA C -4.634 1.074 1.177 1.00 . A A . 79 ILE CA 1 1 12 5083 1 1 22 ILE CB C -4.013 0.421 2.414 1.00 . A A . 79 ILE CB 1 1 12 5084 1 1 22 ILE CD1 C -2.484 -1.512 3.048 1.00 . A A . 79 ILE CD1 1 1 12 5085 1 1 22 ILE CG1 C -3.062 -0.678 1.941 1.00 . A A . 79 ILE CG1 1 1 12 5086 1 1 22 ILE CG2 C -5.088 -0.133 3.333 1.00 . A A . 79 ILE CG2 1 1 12 5087 1 1 22 ILE H H -2.707 1.827 0.763 1.00 . A A . 79 ILE H 1 1 12 5088 1 1 22 ILE HA H -5.103 0.285 0.594 1.00 . A A . 79 ILE HA 1 1 12 5089 1 1 22 ILE HB H -3.451 1.168 2.953 1.00 . A A . 79 ILE HB 1 1 12 5090 1 1 22 ILE HD11 H -1.881 -0.888 3.685 1.00 . A A . 79 ILE HD11 1 1 12 5091 1 1 22 ILE HD12 H -1.876 -2.298 2.616 1.00 . A A . 79 ILE HD12 1 1 12 5092 1 1 22 ILE HD13 H -3.290 -1.946 3.618 1.00 . A A . 79 ILE HD13 1 1 12 5093 1 1 22 ILE HG12 H -3.598 -1.342 1.276 1.00 . A A . 79 ILE HG12 1 1 12 5094 1 1 22 ILE HG13 H -2.238 -0.223 1.404 1.00 . A A . 79 ILE HG13 1 1 12 5095 1 1 22 ILE HG21 H -4.627 -0.550 4.214 1.00 . A A . 79 ILE HG21 1 1 12 5096 1 1 22 ILE HG22 H -5.640 -0.900 2.814 1.00 . A A . 79 ILE HG22 1 1 12 5097 1 1 22 ILE HG23 H -5.759 0.664 3.620 1.00 . A A . 79 ILE HG23 1 1 12 5098 1 1 22 ILE N N -3.591 1.671 0.361 1.00 . A A . 79 ILE N 1 1 12 5099 1 1 22 ILE O O -6.864 1.727 1.758 1.00 . A A . 79 ILE O 1 1 12 5100 1 1 23 ARG C C -7.170 4.621 0.531 1.00 . A A . 80 ARG C 1 1 12 5101 1 1 23 ARG CA C -6.344 4.404 1.804 1.00 . A A . 80 ARG CA 1 1 12 5102 1 1 23 ARG CB C -5.666 5.688 2.237 1.00 . A A . 80 ARG CB 1 1 12 5103 1 1 23 ARG CD C -5.026 7.120 4.203 1.00 . A A . 80 ARG CD 1 1 12 5104 1 1 23 ARG CG C -5.346 5.715 3.720 1.00 . A A . 80 ARG CG 1 1 12 5105 1 1 23 ARG CZ C -5.263 8.109 6.454 1.00 . A A . 80 ARG CZ 1 1 12 5106 1 1 23 ARG H H -4.403 3.621 1.608 1.00 . A A . 80 ARG H 1 1 12 5107 1 1 23 ARG HA H -7.012 4.085 2.590 1.00 . A A . 80 ARG HA 1 1 12 5108 1 1 23 ARG HB2 H -4.742 5.796 1.688 1.00 . A A . 80 ARG HB2 1 1 12 5109 1 1 23 ARG HB3 H -6.302 6.506 2.007 1.00 . A A . 80 ARG HB3 1 1 12 5110 1 1 23 ARG HD2 H -4.142 7.468 3.695 1.00 . A A . 80 ARG HD2 1 1 12 5111 1 1 23 ARG HD3 H -5.857 7.767 3.965 1.00 . A A . 80 ARG HD3 1 1 12 5112 1 1 23 ARG HE H -4.254 6.426 6.033 1.00 . A A . 80 ARG HE 1 1 12 5113 1 1 23 ARG HG2 H -6.196 5.340 4.268 1.00 . A A . 80 ARG HG2 1 1 12 5114 1 1 23 ARG HG3 H -4.493 5.078 3.902 1.00 . A A . 80 ARG HG3 1 1 12 5115 1 1 23 ARG HH11 H -6.203 9.154 4.987 1.00 . A A . 80 ARG HH11 1 1 12 5116 1 1 23 ARG HH12 H -6.366 9.813 6.584 1.00 . A A . 80 ARG HH12 1 1 12 5117 1 1 23 ARG HH21 H -4.477 7.285 8.136 1.00 . A A . 80 ARG HH21 1 1 12 5118 1 1 23 ARG HH22 H -5.348 8.777 8.368 1.00 . A A . 80 ARG HH22 1 1 12 5119 1 1 23 ARG N N -5.354 3.365 1.627 1.00 . A A . 80 ARG N 1 1 12 5120 1 1 23 ARG NE N -4.792 7.159 5.645 1.00 . A A . 80 ARG NE 1 1 12 5121 1 1 23 ARG NH1 N -5.997 9.106 5.967 1.00 . A A . 80 ARG NH1 1 1 12 5122 1 1 23 ARG NH2 N -5.014 8.052 7.754 1.00 . A A . 80 ARG NH2 1 1 12 5123 1 1 23 ARG O O -8.032 5.497 0.479 1.00 . A A . 80 ARG O 1 1 12 5124 1 1 24 HIS C C -8.675 2.576 -1.588 1.00 . A A . 81 HIS C 1 1 12 5125 1 1 24 HIS CA C -7.737 3.773 -1.678 1.00 . A A . 81 HIS CA 1 1 12 5126 1 1 24 HIS CB C -6.899 3.667 -2.958 1.00 . A A . 81 HIS CB 1 1 12 5127 1 1 24 HIS CD2 C -6.778 5.762 -4.475 1.00 . A A . 81 HIS CD2 1 1 12 5128 1 1 24 HIS CE1 C -5.014 6.705 -3.591 1.00 . A A . 81 HIS CE1 1 1 12 5129 1 1 24 HIS CG C -6.359 4.969 -3.463 1.00 . A A . 81 HIS CG 1 1 12 5130 1 1 24 HIS H H -6.090 3.261 -0.451 1.00 . A A . 81 HIS H 1 1 12 5131 1 1 24 HIS HA H -8.324 4.680 -1.710 1.00 . A A . 81 HIS HA 1 1 12 5132 1 1 24 HIS HB2 H -6.061 3.015 -2.773 1.00 . A A . 81 HIS HB2 1 1 12 5133 1 1 24 HIS HB3 H -7.511 3.239 -3.739 1.00 . A A . 81 HIS HB3 1 1 12 5134 1 1 24 HIS HD1 H -4.721 5.262 -2.168 1.00 . A A . 81 HIS HD1 1 1 12 5135 1 1 24 HIS HD2 H -7.624 5.576 -5.124 1.00 . A A . 81 HIS HD2 1 1 12 5136 1 1 24 HIS HE1 H -4.199 7.387 -3.398 1.00 . A A . 81 HIS HE1 1 1 12 5137 1 1 24 HIS HE2 H -6.086 7.659 -5.056 1.00 . A A . 81 HIS HE2 1 1 12 5138 1 1 24 HIS N N -6.891 3.827 -0.492 1.00 . A A . 81 HIS N 1 1 12 5139 1 1 24 HIS ND1 N -5.254 5.590 -2.929 1.00 . A A . 81 HIS ND1 1 1 12 5140 1 1 24 HIS NE2 N -5.926 6.834 -4.535 1.00 . A A . 81 HIS NE2 1 1 12 5141 1 1 24 HIS O O -9.521 2.372 -2.458 1.00 . A A . 81 HIS O 1 1 12 5142 1 1 25 HIS C C -10.677 0.830 0.231 1.00 . A A . 82 HIS C 1 1 12 5143 1 1 25 HIS CA C -9.288 0.563 -0.342 1.00 . A A . 82 HIS CA 1 1 12 5144 1 1 25 HIS CB C -8.521 -0.424 0.549 1.00 . A A . 82 HIS CB 1 1 12 5145 1 1 25 HIS CD2 C -6.620 -2.091 0.086 1.00 . A A . 82 HIS CD2 1 1 12 5146 1 1 25 HIS CE1 C -7.283 -2.910 -1.798 1.00 . A A . 82 HIS CE1 1 1 12 5147 1 1 25 HIS CG C -7.789 -1.483 -0.207 1.00 . A A . 82 HIS CG 1 1 12 5148 1 1 25 HIS H H -7.894 2.068 0.186 1.00 . A A . 82 HIS H 1 1 12 5149 1 1 25 HIS HA H -9.408 0.124 -1.316 1.00 . A A . 82 HIS HA 1 1 12 5150 1 1 25 HIS HB2 H -7.785 0.120 1.129 1.00 . A A . 82 HIS HB2 1 1 12 5151 1 1 25 HIS HB3 H -9.203 -0.905 1.220 1.00 . A A . 82 HIS HB3 1 1 12 5152 1 1 25 HIS HD1 H -9.038 -1.788 -1.892 1.00 . A A . 82 HIS HD1 1 1 12 5153 1 1 25 HIS HD2 H -6.020 -1.914 0.967 1.00 . A A . 82 HIS HD2 1 1 12 5154 1 1 25 HIS HE1 H -7.340 -3.489 -2.708 1.00 . A A . 82 HIS HE1 1 1 12 5155 1 1 25 HIS N N -8.527 1.798 -0.517 1.00 . A A . 82 HIS N 1 1 12 5156 1 1 25 HIS ND1 N -8.206 -2.016 -1.407 1.00 . A A . 82 HIS ND1 1 1 12 5157 1 1 25 HIS NE2 N -6.298 -2.988 -0.924 1.00 . A A . 82 HIS NE2 1 1 12 5158 1 1 25 HIS O O -11.489 -0.090 0.370 1.00 . A A . 82 HIS O 1 1 12 5159 1 1 26 ASP C C -12.716 3.695 0.165 1.00 . A A . 83 ASP C 1 1 12 5160 1 1 26 ASP CA C -12.267 2.490 0.985 1.00 . A A . 83 ASP CA 1 1 12 5161 1 1 26 ASP CB C -12.319 2.782 2.496 1.00 . A A . 83 ASP CB 1 1 12 5162 1 1 26 ASP CG C -11.480 3.969 2.941 1.00 . A A . 83 ASP CG 1 1 12 5163 1 1 26 ASP H H -10.233 2.747 0.523 1.00 . A A . 83 ASP H 1 1 12 5164 1 1 26 ASP HA H -12.936 1.667 0.767 1.00 . A A . 83 ASP HA 1 1 12 5165 1 1 26 ASP HB2 H -13.341 2.981 2.770 1.00 . A A . 83 ASP HB2 1 1 12 5166 1 1 26 ASP HB3 H -11.973 1.904 3.032 1.00 . A A . 83 ASP HB3 1 1 12 5167 1 1 26 ASP N N -10.944 2.080 0.563 1.00 . A A . 83 ASP N 1 1 12 5168 1 1 26 ASP O O -12.064 4.755 0.237 1.00 . A A . 83 ASP O 1 1 12 5169 1 1 26 ASP OXT O -13.700 3.562 -0.589 1.00 . A A . 83 ASP OXT 1 1 12 5170 1 1 26 ASP OD1 O -10.233 3.894 2.844 1.00 . A A . 83 ASP OD1 1 1 12 5171 1 1 26 ASP OD2 O -12.061 4.990 3.358 1.00 . A A . 83 ASP OD2 1 1 12 5172 2 2 1 ZN ZN ZN -4.394 -3.063 -1.534 1.00 . B A . 101 ZN ZN 1 1 13 5173 1 1 1 LYS C C 10.241 -3.950 0.897 1.00 . A A . 58 LYS C 1 1 13 5174 1 1 1 LYS CA C 11.404 -3.053 0.483 1.00 . A A . 58 LYS CA 1 1 13 5175 1 1 1 LYS CB C 10.982 -1.582 0.540 1.00 . A A . 58 LYS CB 1 1 13 5176 1 1 1 LYS CD C 11.625 0.811 0.909 1.00 . A A . 58 LYS CD 1 1 13 5177 1 1 1 LYS CE C 12.615 1.736 1.598 1.00 . A A . 58 LYS CE 1 1 13 5178 1 1 1 LYS CG C 12.116 -0.626 0.878 1.00 . A A . 58 LYS CG 1 1 13 5179 1 1 1 LYS H1 H 11.092 -3.319 -1.558 1.00 . A A . 58 LYS H1 1 1 13 5180 1 1 1 LYS H2 H 12.251 -4.367 -0.894 1.00 . A A . 58 LYS H2 1 1 13 5181 1 1 1 LYS H3 H 12.638 -2.741 -1.167 1.00 . A A . 58 LYS H3 1 1 13 5182 1 1 1 LYS HA H 12.220 -3.212 1.174 1.00 . A A . 58 LYS HA 1 1 13 5183 1 1 1 LYS HB2 H 10.580 -1.299 -0.422 1.00 . A A . 58 LYS HB2 1 1 13 5184 1 1 1 LYS HB3 H 10.211 -1.471 1.286 1.00 . A A . 58 LYS HB3 1 1 13 5185 1 1 1 LYS HD2 H 11.480 1.150 -0.105 1.00 . A A . 58 LYS HD2 1 1 13 5186 1 1 1 LYS HD3 H 10.685 0.846 1.438 1.00 . A A . 58 LYS HD3 1 1 13 5187 1 1 1 LYS HE2 H 13.574 1.648 1.106 1.00 . A A . 58 LYS HE2 1 1 13 5188 1 1 1 LYS HE3 H 12.260 2.752 1.510 1.00 . A A . 58 LYS HE3 1 1 13 5189 1 1 1 LYS HG2 H 12.516 -0.881 1.847 1.00 . A A . 58 LYS HG2 1 1 13 5190 1 1 1 LYS HG3 H 12.890 -0.718 0.131 1.00 . A A . 58 LYS HG3 1 1 13 5191 1 1 1 LYS HZ1 H 13.301 2.162 3.529 1.00 . A A . 58 LYS HZ1 1 1 13 5192 1 1 1 LYS HZ2 H 13.315 0.510 3.143 1.00 . A A . 58 LYS HZ2 1 1 13 5193 1 1 1 LYS HZ3 H 11.854 1.285 3.493 1.00 . A A . 58 LYS HZ3 1 1 13 5194 1 1 1 LYS N N 11.880 -3.395 -0.876 1.00 . A A . 58 LYS N 1 1 13 5195 1 1 1 LYS NZ N 12.780 1.401 3.040 1.00 . A A . 58 LYS NZ 1 1 13 5196 1 1 1 LYS O O 9.484 -4.429 0.053 1.00 . A A . 58 LYS O 1 1 13 5197 1 1 2 PRO C C 7.716 -4.236 2.927 1.00 . A A . 59 PRO C 1 1 13 5198 1 1 2 PRO CA C 9.011 -5.024 2.738 1.00 . A A . 59 PRO CA 1 1 13 5199 1 1 2 PRO CB C 9.551 -5.497 4.098 1.00 . A A . 59 PRO CB 1 1 13 5200 1 1 2 PRO CD C 10.936 -3.691 3.285 1.00 . A A . 59 PRO CD 1 1 13 5201 1 1 2 PRO CG C 10.860 -4.792 4.306 1.00 . A A . 59 PRO CG 1 1 13 5202 1 1 2 PRO HA H 8.823 -5.881 2.105 1.00 . A A . 59 PRO HA 1 1 13 5203 1 1 2 PRO HB2 H 8.843 -5.234 4.872 1.00 . A A . 59 PRO HB2 1 1 13 5204 1 1 2 PRO HB3 H 9.685 -6.569 4.074 1.00 . A A . 59 PRO HB3 1 1 13 5205 1 1 2 PRO HD2 H 10.541 -2.770 3.690 1.00 . A A . 59 PRO HD2 1 1 13 5206 1 1 2 PRO HD3 H 11.951 -3.556 2.946 1.00 . A A . 59 PRO HD3 1 1 13 5207 1 1 2 PRO HG2 H 10.892 -4.374 5.302 1.00 . A A . 59 PRO HG2 1 1 13 5208 1 1 2 PRO HG3 H 11.673 -5.488 4.166 1.00 . A A . 59 PRO HG3 1 1 13 5209 1 1 2 PRO N N 10.083 -4.194 2.208 1.00 . A A . 59 PRO N 1 1 13 5210 1 1 2 PRO O O 7.070 -4.314 3.973 1.00 . A A . 59 PRO O 1 1 13 5211 1 1 3 TYR C C 5.100 -3.279 1.022 1.00 . A A . 60 TYR C 1 1 13 5212 1 1 3 TYR CA C 6.132 -2.676 1.955 1.00 . A A . 60 TYR CA 1 1 13 5213 1 1 3 TYR CB C 6.418 -1.234 1.530 1.00 . A A . 60 TYR CB 1 1 13 5214 1 1 3 TYR CD1 C 8.599 -0.745 2.699 1.00 . A A . 60 TYR CD1 1 1 13 5215 1 1 3 TYR CD2 C 6.714 0.616 3.208 1.00 . A A . 60 TYR CD2 1 1 13 5216 1 1 3 TYR CE1 C 9.377 -0.008 3.567 1.00 . A A . 60 TYR CE1 1 1 13 5217 1 1 3 TYR CE2 C 7.485 1.360 4.085 1.00 . A A . 60 TYR CE2 1 1 13 5218 1 1 3 TYR CG C 7.259 -0.445 2.504 1.00 . A A . 60 TYR CG 1 1 13 5219 1 1 3 TYR CZ C 8.818 1.040 4.261 1.00 . A A . 60 TYR CZ 1 1 13 5220 1 1 3 TYR H H 7.904 -3.446 1.105 1.00 . A A . 60 TYR H 1 1 13 5221 1 1 3 TYR HA H 5.751 -2.686 2.965 1.00 . A A . 60 TYR HA 1 1 13 5222 1 1 3 TYR HB2 H 6.942 -1.249 0.586 1.00 . A A . 60 TYR HB2 1 1 13 5223 1 1 3 TYR HB3 H 5.481 -0.711 1.404 1.00 . A A . 60 TYR HB3 1 1 13 5224 1 1 3 TYR HD1 H 9.033 -1.575 2.160 1.00 . A A . 60 TYR HD1 1 1 13 5225 1 1 3 TYR HD2 H 5.667 0.856 3.065 1.00 . A A . 60 TYR HD2 1 1 13 5226 1 1 3 TYR HE1 H 10.420 -0.259 3.702 1.00 . A A . 60 TYR HE1 1 1 13 5227 1 1 3 TYR HE2 H 7.044 2.183 4.628 1.00 . A A . 60 TYR HE2 1 1 13 5228 1 1 3 TYR HH H 9.098 2.010 5.904 1.00 . A A . 60 TYR HH 1 1 13 5229 1 1 3 TYR N N 7.348 -3.469 1.913 1.00 . A A . 60 TYR N 1 1 13 5230 1 1 3 TYR O O 5.024 -2.910 -0.147 1.00 . A A . 60 TYR O 1 1 13 5231 1 1 3 TYR OH O 9.602 1.779 5.114 1.00 . A A . 60 TYR OH 1 1 13 5232 1 1 4 VAL C C 1.936 -4.689 1.331 1.00 . A A . 61 VAL C 1 1 13 5233 1 1 4 VAL CA C 3.315 -4.867 0.722 1.00 . A A . 61 VAL CA 1 1 13 5234 1 1 4 VAL CB C 3.616 -6.372 0.576 1.00 . A A . 61 VAL CB 1 1 13 5235 1 1 4 VAL CG1 C 2.668 -7.006 -0.419 1.00 . A A . 61 VAL CG1 1 1 13 5236 1 1 4 VAL CG2 C 5.053 -6.591 0.146 1.00 . A A . 61 VAL CG2 1 1 13 5237 1 1 4 VAL H H 4.407 -4.463 2.469 1.00 . A A . 61 VAL H 1 1 13 5238 1 1 4 VAL HA H 3.328 -4.419 -0.263 1.00 . A A . 61 VAL HA 1 1 13 5239 1 1 4 VAL HB H 3.471 -6.846 1.537 1.00 . A A . 61 VAL HB 1 1 13 5240 1 1 4 VAL HG11 H 2.831 -8.071 -0.445 1.00 . A A . 61 VAL HG11 1 1 13 5241 1 1 4 VAL HG12 H 2.851 -6.587 -1.400 1.00 . A A . 61 VAL HG12 1 1 13 5242 1 1 4 VAL HG13 H 1.653 -6.799 -0.122 1.00 . A A . 61 VAL HG13 1 1 13 5243 1 1 4 VAL HG21 H 5.718 -6.172 0.885 1.00 . A A . 61 VAL HG21 1 1 13 5244 1 1 4 VAL HG22 H 5.214 -6.101 -0.803 1.00 . A A . 61 VAL HG22 1 1 13 5245 1 1 4 VAL HG23 H 5.242 -7.648 0.043 1.00 . A A . 61 VAL HG23 1 1 13 5246 1 1 4 VAL N N 4.313 -4.208 1.531 1.00 . A A . 61 VAL N 1 1 13 5247 1 1 4 VAL O O 1.776 -4.691 2.551 1.00 . A A . 61 VAL O 1 1 13 5248 1 1 5 CYS C C -0.937 -5.795 1.309 1.00 . A A . 62 CYS C 1 1 13 5249 1 1 5 CYS CA C -0.429 -4.420 0.909 1.00 . A A . 62 CYS CA 1 1 13 5250 1 1 5 CYS CB C -1.314 -3.854 -0.203 1.00 . A A . 62 CYS CB 1 1 13 5251 1 1 5 CYS H H 1.154 -4.481 -0.489 1.00 . A A . 62 CYS H 1 1 13 5252 1 1 5 CYS HA H -0.467 -3.764 1.765 1.00 . A A . 62 CYS HA 1 1 13 5253 1 1 5 CYS HB2 H -0.952 -2.888 -0.494 1.00 . A A . 62 CYS HB2 1 1 13 5254 1 1 5 CYS HB3 H -1.285 -4.520 -1.047 1.00 . A A . 62 CYS HB3 1 1 13 5255 1 1 5 CYS N N 0.948 -4.522 0.473 1.00 . A A . 62 CYS N 1 1 13 5256 1 1 5 CYS O O -1.141 -6.662 0.460 1.00 . A A . 62 CYS O 1 1 13 5257 1 1 5 CYS SG S -3.030 -3.644 0.263 1.00 . A A . 62 CYS SG 1 1 13 5258 1 1 6 GLU C C -3.031 -7.555 2.561 1.00 . A A . 63 GLU C 1 1 13 5259 1 1 6 GLU CA C -1.647 -7.248 3.128 1.00 . A A . 63 GLU CA 1 1 13 5260 1 1 6 GLU CB C -1.723 -7.174 4.653 1.00 . A A . 63 GLU CB 1 1 13 5261 1 1 6 GLU CD C 0.561 -8.090 5.202 1.00 . A A . 63 GLU CD 1 1 13 5262 1 1 6 GLU CG C -0.383 -6.915 5.318 1.00 . A A . 63 GLU CG 1 1 13 5263 1 1 6 GLU H H -0.917 -5.267 3.229 1.00 . A A . 63 GLU H 1 1 13 5264 1 1 6 GLU HA H -0.963 -8.033 2.844 1.00 . A A . 63 GLU HA 1 1 13 5265 1 1 6 GLU HB2 H -2.396 -6.377 4.930 1.00 . A A . 63 GLU HB2 1 1 13 5266 1 1 6 GLU HB3 H -2.111 -8.109 5.028 1.00 . A A . 63 GLU HB3 1 1 13 5267 1 1 6 GLU HG2 H 0.077 -6.056 4.855 1.00 . A A . 63 GLU HG2 1 1 13 5268 1 1 6 GLU HG3 H -0.550 -6.710 6.366 1.00 . A A . 63 GLU HG3 1 1 13 5269 1 1 6 GLU N N -1.135 -5.988 2.602 1.00 . A A . 63 GLU N 1 1 13 5270 1 1 6 GLU O O -3.457 -8.711 2.514 1.00 . A A . 63 GLU O 1 1 13 5271 1 1 6 GLU OE1 O 1.225 -8.226 4.157 1.00 . A A . 63 GLU OE1 1 1 13 5272 1 1 6 GLU OE2 O 0.641 -8.886 6.166 1.00 . A A . 63 GLU OE2 1 1 13 5273 1 1 7 ARG C C -5.278 -7.026 0.248 1.00 . A A . 64 ARG C 1 1 13 5274 1 1 7 ARG CA C -5.102 -6.630 1.720 1.00 . A A . 64 ARG CA 1 1 13 5275 1 1 7 ARG CB C -5.836 -5.327 2.016 1.00 . A A . 64 ARG CB 1 1 13 5276 1 1 7 ARG CD C -6.611 -3.731 3.800 1.00 . A A . 64 ARG CD 1 1 13 5277 1 1 7 ARG CG C -5.621 -4.825 3.434 1.00 . A A . 64 ARG CG 1 1 13 5278 1 1 7 ARG CZ C -6.968 -2.082 5.609 1.00 . A A . 64 ARG CZ 1 1 13 5279 1 1 7 ARG H H -3.294 -5.634 2.090 1.00 . A A . 64 ARG H 1 1 13 5280 1 1 7 ARG HA H -5.541 -7.407 2.327 1.00 . A A . 64 ARG HA 1 1 13 5281 1 1 7 ARG HB2 H -5.490 -4.566 1.330 1.00 . A A . 64 ARG HB2 1 1 13 5282 1 1 7 ARG HB3 H -6.890 -5.479 1.867 1.00 . A A . 64 ARG HB3 1 1 13 5283 1 1 7 ARG HD2 H -6.620 -2.993 3.007 1.00 . A A . 64 ARG HD2 1 1 13 5284 1 1 7 ARG HD3 H -7.594 -4.176 3.896 1.00 . A A . 64 ARG HD3 1 1 13 5285 1 1 7 ARG HE H -5.441 -3.373 5.513 1.00 . A A . 64 ARG HE 1 1 13 5286 1 1 7 ARG HG2 H -5.739 -5.651 4.115 1.00 . A A . 64 ARG HG2 1 1 13 5287 1 1 7 ARG HG3 H -4.618 -4.431 3.515 1.00 . A A . 64 ARG HG3 1 1 13 5288 1 1 7 ARG HH11 H -8.455 -2.130 4.235 1.00 . A A . 64 ARG HH11 1 1 13 5289 1 1 7 ARG HH12 H -8.642 -0.928 5.475 1.00 . A A . 64 ARG HH12 1 1 13 5290 1 1 7 ARG HH21 H -5.674 -1.807 7.149 1.00 . A A . 64 ARG HH21 1 1 13 5291 1 1 7 ARG HH22 H -7.053 -0.744 7.139 1.00 . A A . 64 ARG HH22 1 1 13 5292 1 1 7 ARG N N -3.721 -6.511 2.120 1.00 . A A . 64 ARG N 1 1 13 5293 1 1 7 ARG NE N -6.262 -3.072 5.060 1.00 . A A . 64 ARG NE 1 1 13 5294 1 1 7 ARG NH1 N -8.113 -1.687 5.061 1.00 . A A . 64 ARG NH1 1 1 13 5295 1 1 7 ARG NH2 N -6.534 -1.501 6.722 1.00 . A A . 64 ARG NH2 1 1 13 5296 1 1 7 ARG O O -6.255 -7.695 -0.078 1.00 . A A . 64 ARG O 1 1 13 5297 1 1 8 CYS C C -3.306 -7.584 -2.703 1.00 . A A . 65 CYS C 1 1 13 5298 1 1 8 CYS CA C -4.579 -7.031 -2.058 1.00 . A A . 65 CYS CA 1 1 13 5299 1 1 8 CYS CB C -5.145 -5.877 -2.888 1.00 . A A . 65 CYS CB 1 1 13 5300 1 1 8 CYS H H -3.596 -6.066 -0.407 1.00 . A A . 65 CYS H 1 1 13 5301 1 1 8 CYS HA H -5.311 -7.824 -2.048 1.00 . A A . 65 CYS HA 1 1 13 5302 1 1 8 CYS HB2 H -5.471 -6.246 -3.849 1.00 . A A . 65 CYS HB2 1 1 13 5303 1 1 8 CYS HB3 H -5.995 -5.456 -2.365 1.00 . A A . 65 CYS HB3 1 1 13 5304 1 1 8 CYS N N -4.378 -6.625 -0.663 1.00 . A A . 65 CYS N 1 1 13 5305 1 1 8 CYS O O -3.323 -7.996 -3.864 1.00 . A A . 65 CYS O 1 1 13 5306 1 1 8 CYS SG S -3.974 -4.548 -3.181 1.00 . A A . 65 CYS SG 1 1 13 5307 1 1 9 GLY C C -0.047 -7.302 -3.180 1.00 . A A . 66 GLY C 1 1 13 5308 1 1 9 GLY CA C -0.992 -8.232 -2.442 1.00 . A A . 66 GLY CA 1 1 13 5309 1 1 9 GLY H H -2.213 -7.174 -1.073 1.00 . A A . 66 GLY H 1 1 13 5310 1 1 9 GLY HA2 H -0.464 -8.650 -1.594 1.00 . A A . 66 GLY HA2 1 1 13 5311 1 1 9 GLY HA3 H -1.273 -9.038 -3.108 1.00 . A A . 66 GLY HA3 1 1 13 5312 1 1 9 GLY N N -2.204 -7.590 -1.960 1.00 . A A . 66 GLY N 1 1 13 5313 1 1 9 GLY O O 1.096 -7.669 -3.451 1.00 . A A . 66 GLY O 1 1 13 5314 1 1 10 LYS C C 1.277 -4.430 -3.292 1.00 . A A . 67 LYS C 1 1 13 5315 1 1 10 LYS CA C 0.340 -5.161 -4.239 1.00 . A A . 67 LYS CA 1 1 13 5316 1 1 10 LYS CB C -0.500 -4.167 -5.039 1.00 . A A . 67 LYS CB 1 1 13 5317 1 1 10 LYS CD C -0.428 -5.708 -7.020 1.00 . A A . 67 LYS CD 1 1 13 5318 1 1 10 LYS CE C -1.221 -6.316 -8.162 1.00 . A A . 67 LYS CE 1 1 13 5319 1 1 10 LYS CG C -1.302 -4.822 -6.149 1.00 . A A . 67 LYS CG 1 1 13 5320 1 1 10 LYS H H -1.416 -5.845 -3.253 1.00 . A A . 67 LYS H 1 1 13 5321 1 1 10 LYS HA H 0.940 -5.738 -4.929 1.00 . A A . 67 LYS HA 1 1 13 5322 1 1 10 LYS HB2 H -1.187 -3.673 -4.368 1.00 . A A . 67 LYS HB2 1 1 13 5323 1 1 10 LYS HB3 H 0.154 -3.429 -5.481 1.00 . A A . 67 LYS HB3 1 1 13 5324 1 1 10 LYS HD2 H 0.376 -5.115 -7.429 1.00 . A A . 67 LYS HD2 1 1 13 5325 1 1 10 LYS HD3 H -0.022 -6.501 -6.412 1.00 . A A . 67 LYS HD3 1 1 13 5326 1 1 10 LYS HE2 H -0.580 -6.989 -8.701 1.00 . A A . 67 LYS HE2 1 1 13 5327 1 1 10 LYS HE3 H -2.056 -6.865 -7.751 1.00 . A A . 67 LYS HE3 1 1 13 5328 1 1 10 LYS HG2 H -2.081 -5.427 -5.710 1.00 . A A . 67 LYS HG2 1 1 13 5329 1 1 10 LYS HG3 H -1.740 -4.055 -6.764 1.00 . A A . 67 LYS HG3 1 1 13 5330 1 1 10 LYS HZ1 H -2.174 -4.505 -8.573 1.00 . A A . 67 LYS HZ1 1 1 13 5331 1 1 10 LYS HZ2 H -2.443 -5.701 -9.737 1.00 . A A . 67 LYS HZ2 1 1 13 5332 1 1 10 LYS HZ3 H -0.946 -4.900 -9.673 1.00 . A A . 67 LYS HZ3 1 1 13 5333 1 1 10 LYS N N -0.505 -6.102 -3.508 1.00 . A A . 67 LYS N 1 1 13 5334 1 1 10 LYS NZ N -1.731 -5.284 -9.099 1.00 . A A . 67 LYS NZ 1 1 13 5335 1 1 10 LYS O O 0.897 -4.073 -2.182 1.00 . A A . 67 LYS O 1 1 13 5336 1 1 11 ARG C C 4.104 -2.348 -3.423 1.00 . A A . 68 ARG C 1 1 13 5337 1 1 11 ARG CA C 3.528 -3.653 -2.876 1.00 . A A . 68 ARG CA 1 1 13 5338 1 1 11 ARG CB C 4.631 -4.676 -2.676 1.00 . A A . 68 ARG CB 1 1 13 5339 1 1 11 ARG CD C 6.352 -6.166 -3.709 1.00 . A A . 68 ARG CD 1 1 13 5340 1 1 11 ARG CG C 5.147 -5.276 -3.958 1.00 . A A . 68 ARG CG 1 1 13 5341 1 1 11 ARG CZ C 7.886 -7.515 -5.081 1.00 . A A . 68 ARG CZ 1 1 13 5342 1 1 11 ARG H H 2.731 -4.433 -4.659 1.00 . A A . 68 ARG H 1 1 13 5343 1 1 11 ARG HA H 3.075 -3.453 -1.924 1.00 . A A . 68 ARG HA 1 1 13 5344 1 1 11 ARG HB2 H 5.452 -4.198 -2.183 1.00 . A A . 68 ARG HB2 1 1 13 5345 1 1 11 ARG HB3 H 4.252 -5.476 -2.057 1.00 . A A . 68 ARG HB3 1 1 13 5346 1 1 11 ARG HD2 H 7.197 -5.541 -3.459 1.00 . A A . 68 ARG HD2 1 1 13 5347 1 1 11 ARG HD3 H 6.134 -6.822 -2.879 1.00 . A A . 68 ARG HD3 1 1 13 5348 1 1 11 ARG HE H 5.979 -7.130 -5.541 1.00 . A A . 68 ARG HE 1 1 13 5349 1 1 11 ARG HG2 H 4.361 -5.862 -4.411 1.00 . A A . 68 ARG HG2 1 1 13 5350 1 1 11 ARG HG3 H 5.427 -4.470 -4.611 1.00 . A A . 68 ARG HG3 1 1 13 5351 1 1 11 ARG HH11 H 8.719 -6.728 -3.412 1.00 . A A . 68 ARG HH11 1 1 13 5352 1 1 11 ARG HH12 H 9.775 -7.716 -4.369 1.00 . A A . 68 ARG HH12 1 1 13 5353 1 1 11 ARG HH21 H 7.353 -8.430 -6.813 1.00 . A A . 68 ARG HH21 1 1 13 5354 1 1 11 ARG HH22 H 9.002 -8.683 -6.315 1.00 . A A . 68 ARG HH22 1 1 13 5355 1 1 11 ARG N N 2.503 -4.211 -3.733 1.00 . A A . 68 ARG N 1 1 13 5356 1 1 11 ARG NE N 6.693 -6.971 -4.877 1.00 . A A . 68 ARG NE 1 1 13 5357 1 1 11 ARG NH1 N 8.872 -7.301 -4.219 1.00 . A A . 68 ARG NH1 1 1 13 5358 1 1 11 ARG NH2 N 8.097 -8.268 -6.155 1.00 . A A . 68 ARG NH2 1 1 13 5359 1 1 11 ARG O O 3.877 -1.984 -4.580 1.00 . A A . 68 ARG O 1 1 13 5360 1 1 12 PHE C C 6.759 -0.203 -2.192 1.00 . A A . 69 PHE C 1 1 13 5361 1 1 12 PHE CA C 5.394 -0.342 -2.832 1.00 . A A . 69 PHE CA 1 1 13 5362 1 1 12 PHE CB C 4.441 0.719 -2.275 1.00 . A A . 69 PHE CB 1 1 13 5363 1 1 12 PHE CD1 C 2.078 0.087 -2.807 1.00 . A A . 69 PHE CD1 1 1 13 5364 1 1 12 PHE CD2 C 3.112 1.783 -4.116 1.00 . A A . 69 PHE CD2 1 1 13 5365 1 1 12 PHE CE1 C 0.915 0.227 -3.536 1.00 . A A . 69 PHE CE1 1 1 13 5366 1 1 12 PHE CE2 C 1.953 1.931 -4.844 1.00 . A A . 69 PHE CE2 1 1 13 5367 1 1 12 PHE CG C 3.187 0.864 -3.086 1.00 . A A . 69 PHE CG 1 1 13 5368 1 1 12 PHE CZ C 0.886 1.116 -4.614 1.00 . A A . 69 PHE CZ 1 1 13 5369 1 1 12 PHE H H 5.104 -2.090 -1.720 1.00 . A A . 69 PHE H 1 1 13 5370 1 1 12 PHE HA H 5.496 -0.202 -3.893 1.00 . A A . 69 PHE HA 1 1 13 5371 1 1 12 PHE HB2 H 4.155 0.443 -1.267 1.00 . A A . 69 PHE HB2 1 1 13 5372 1 1 12 PHE HB3 H 4.945 1.677 -2.255 1.00 . A A . 69 PHE HB3 1 1 13 5373 1 1 12 PHE HD1 H 2.129 -0.643 -2.009 1.00 . A A . 69 PHE HD1 1 1 13 5374 1 1 12 PHE HD2 H 3.973 2.395 -4.343 1.00 . A A . 69 PHE HD2 1 1 13 5375 1 1 12 PHE HE1 H 0.055 -0.386 -3.310 1.00 . A A . 69 PHE HE1 1 1 13 5376 1 1 12 PHE HE2 H 1.909 2.654 -5.646 1.00 . A A . 69 PHE HE2 1 1 13 5377 1 1 12 PHE HZ H -0.011 1.208 -5.212 1.00 . A A . 69 PHE HZ 1 1 13 5378 1 1 12 PHE N N 4.867 -1.670 -2.571 1.00 . A A . 69 PHE N 1 1 13 5379 1 1 12 PHE O O 7.261 -1.128 -1.550 1.00 . A A . 69 PHE O 1 1 13 5380 1 1 13 VAL C C 8.446 2.431 -0.861 1.00 . A A . 70 VAL C 1 1 13 5381 1 1 13 VAL CA C 8.634 1.275 -1.830 1.00 . A A . 70 VAL CA 1 1 13 5382 1 1 13 VAL CB C 9.617 1.655 -2.961 1.00 . A A . 70 VAL CB 1 1 13 5383 1 1 13 VAL CG1 C 10.718 2.556 -2.454 1.00 . A A . 70 VAL CG1 1 1 13 5384 1 1 13 VAL CG2 C 10.199 0.405 -3.605 1.00 . A A . 70 VAL CG2 1 1 13 5385 1 1 13 VAL H H 6.914 1.625 -2.948 1.00 . A A . 70 VAL H 1 1 13 5386 1 1 13 VAL HA H 9.015 0.412 -1.302 1.00 . A A . 70 VAL HA 1 1 13 5387 1 1 13 VAL HB H 9.067 2.196 -3.719 1.00 . A A . 70 VAL HB 1 1 13 5388 1 1 13 VAL HG11 H 11.381 2.810 -3.265 1.00 . A A . 70 VAL HG11 1 1 13 5389 1 1 13 VAL HG12 H 11.267 2.050 -1.676 1.00 . A A . 70 VAL HG12 1 1 13 5390 1 1 13 VAL HG13 H 10.270 3.453 -2.057 1.00 . A A . 70 VAL HG13 1 1 13 5391 1 1 13 VAL HG21 H 10.724 -0.173 -2.858 1.00 . A A . 70 VAL HG21 1 1 13 5392 1 1 13 VAL HG22 H 10.887 0.690 -4.389 1.00 . A A . 70 VAL HG22 1 1 13 5393 1 1 13 VAL HG23 H 9.400 -0.187 -4.025 1.00 . A A . 70 VAL HG23 1 1 13 5394 1 1 13 VAL N N 7.356 0.948 -2.393 1.00 . A A . 70 VAL N 1 1 13 5395 1 1 13 VAL O O 9.211 2.622 0.088 1.00 . A A . 70 VAL O 1 1 13 5396 1 1 14 GLN C C 6.105 4.033 0.760 1.00 . A A . 71 GLN C 1 1 13 5397 1 1 14 GLN CA C 7.097 4.358 -0.341 1.00 . A A . 71 GLN CA 1 1 13 5398 1 1 14 GLN CB C 6.516 5.379 -1.305 1.00 . A A . 71 GLN CB 1 1 13 5399 1 1 14 GLN CD C 6.910 6.730 -3.413 1.00 . A A . 71 GLN CD 1 1 13 5400 1 1 14 GLN CG C 7.393 5.598 -2.524 1.00 . A A . 71 GLN CG 1 1 13 5401 1 1 14 GLN H H 6.742 2.918 -1.791 1.00 . A A . 71 GLN H 1 1 13 5402 1 1 14 GLN HA H 8.014 4.734 0.085 1.00 . A A . 71 GLN HA 1 1 13 5403 1 1 14 GLN HB2 H 5.548 5.027 -1.643 1.00 . A A . 71 GLN HB2 1 1 13 5404 1 1 14 GLN HB3 H 6.393 6.311 -0.801 1.00 . A A . 71 GLN HB3 1 1 13 5405 1 1 14 GLN HE21 H 7.682 5.822 -5.002 1.00 . A A . 71 GLN HE21 1 1 13 5406 1 1 14 GLN HE22 H 6.905 7.341 -5.308 1.00 . A A . 71 GLN HE22 1 1 13 5407 1 1 14 GLN HG2 H 8.395 5.815 -2.192 1.00 . A A . 71 GLN HG2 1 1 13 5408 1 1 14 GLN HG3 H 7.404 4.689 -3.106 1.00 . A A . 71 GLN HG3 1 1 13 5409 1 1 14 GLN N N 7.378 3.177 -1.091 1.00 . A A . 71 GLN N 1 1 13 5410 1 1 14 GLN NE2 N 7.188 6.618 -4.702 1.00 . A A . 71 GLN NE2 1 1 13 5411 1 1 14 GLN O O 5.055 3.449 0.497 1.00 . A A . 71 GLN O 1 1 13 5412 1 1 14 GLN OE1 O 6.297 7.692 -2.951 1.00 . A A . 71 GLN OE1 1 1 13 5413 1 1 15 SER C C 4.283 4.976 2.925 1.00 . A A . 72 SER C 1 1 13 5414 1 1 15 SER CA C 5.565 4.190 3.122 1.00 . A A . 72 SER CA 1 1 13 5415 1 1 15 SER CB C 6.253 4.609 4.427 1.00 . A A . 72 SER CB 1 1 13 5416 1 1 15 SER H H 7.321 4.839 2.132 1.00 . A A . 72 SER H 1 1 13 5417 1 1 15 SER HA H 5.330 3.138 3.165 1.00 . A A . 72 SER HA 1 1 13 5418 1 1 15 SER HB2 H 7.173 4.054 4.539 1.00 . A A . 72 SER HB2 1 1 13 5419 1 1 15 SER HB3 H 6.473 5.667 4.393 1.00 . A A . 72 SER HB3 1 1 13 5420 1 1 15 SER HG H 5.534 3.422 5.823 1.00 . A A . 72 SER HG 1 1 13 5421 1 1 15 SER N N 6.446 4.407 1.987 1.00 . A A . 72 SER N 1 1 13 5422 1 1 15 SER O O 3.184 4.470 3.160 1.00 . A A . 72 SER O 1 1 13 5423 1 1 15 SER OG O 5.428 4.349 5.551 1.00 . A A . 72 SER OG 1 1 13 5424 1 1 16 SER C C 2.455 6.451 1.071 1.00 . A A . 73 SER C 1 1 13 5425 1 1 16 SER CA C 3.299 7.061 2.181 1.00 . A A . 73 SER CA 1 1 13 5426 1 1 16 SER CB C 3.770 8.466 1.790 1.00 . A A . 73 SER CB 1 1 13 5427 1 1 16 SER H H 5.343 6.556 2.304 1.00 . A A . 73 SER H 1 1 13 5428 1 1 16 SER HA H 2.702 7.126 3.079 1.00 . A A . 73 SER HA 1 1 13 5429 1 1 16 SER HB2 H 4.322 8.899 2.610 1.00 . A A . 73 SER HB2 1 1 13 5430 1 1 16 SER HB3 H 4.410 8.397 0.924 1.00 . A A . 73 SER HB3 1 1 13 5431 1 1 16 SER HG H 2.145 9.461 2.283 1.00 . A A . 73 SER HG 1 1 13 5432 1 1 16 SER N N 4.434 6.209 2.462 1.00 . A A . 73 SER N 1 1 13 5433 1 1 16 SER O O 1.237 6.394 1.181 1.00 . A A . 73 SER O 1 1 13 5434 1 1 16 SER OG O 2.674 9.314 1.481 1.00 . A A . 73 SER OG 1 1 13 5435 1 1 17 GLN C C 1.710 4.141 -0.786 1.00 . A A . 74 GLN C 1 1 13 5436 1 1 17 GLN CA C 2.415 5.437 -1.134 1.00 . A A . 74 GLN CA 1 1 13 5437 1 1 17 GLN CB C 3.407 5.220 -2.277 1.00 . A A . 74 GLN CB 1 1 13 5438 1 1 17 GLN CD C 1.868 6.056 -4.096 1.00 . A A . 74 GLN CD 1 1 13 5439 1 1 17 GLN CG C 2.765 4.934 -3.618 1.00 . A A . 74 GLN CG 1 1 13 5440 1 1 17 GLN H H 4.086 5.811 0.094 1.00 . A A . 74 GLN H 1 1 13 5441 1 1 17 GLN HA H 1.683 6.175 -1.426 1.00 . A A . 74 GLN HA 1 1 13 5442 1 1 17 GLN HB2 H 4.015 6.107 -2.383 1.00 . A A . 74 GLN HB2 1 1 13 5443 1 1 17 GLN HB3 H 4.045 4.382 -2.023 1.00 . A A . 74 GLN HB3 1 1 13 5444 1 1 17 GLN HE21 H 3.402 6.931 -4.997 1.00 . A A . 74 GLN HE21 1 1 13 5445 1 1 17 GLN HE22 H 1.883 7.745 -5.145 1.00 . A A . 74 GLN HE22 1 1 13 5446 1 1 17 GLN HG2 H 3.550 4.785 -4.346 1.00 . A A . 74 GLN HG2 1 1 13 5447 1 1 17 GLN HG3 H 2.179 4.031 -3.534 1.00 . A A . 74 GLN HG3 1 1 13 5448 1 1 17 GLN N N 3.114 5.924 0.040 1.00 . A A . 74 GLN N 1 1 13 5449 1 1 17 GLN NE2 N 2.443 7.004 -4.816 1.00 . A A . 74 GLN NE2 1 1 13 5450 1 1 17 GLN O O 0.636 3.840 -1.297 1.00 . A A . 74 GLN O 1 1 13 5451 1 1 17 GLN OE1 O 0.670 6.071 -3.822 1.00 . A A . 74 GLN OE1 1 1 13 5452 1 1 18 LEU C C 0.490 2.448 1.383 1.00 . A A . 75 LEU C 1 1 13 5453 1 1 18 LEU CA C 1.766 2.161 0.620 1.00 . A A . 75 LEU CA 1 1 13 5454 1 1 18 LEU CB C 2.789 1.467 1.531 1.00 . A A . 75 LEU CB 1 1 13 5455 1 1 18 LEU CD1 C 1.755 -0.775 1.379 1.00 . A A . 75 LEU CD1 1 1 13 5456 1 1 18 LEU CD2 C 3.332 -0.276 3.239 1.00 . A A . 75 LEU CD2 1 1 13 5457 1 1 18 LEU CG C 2.257 0.282 2.326 1.00 . A A . 75 LEU CG 1 1 13 5458 1 1 18 LEU H H 3.210 3.681 0.440 1.00 . A A . 75 LEU H 1 1 13 5459 1 1 18 LEU HA H 1.531 1.528 -0.219 1.00 . A A . 75 LEU HA 1 1 13 5460 1 1 18 LEU HB2 H 3.608 1.118 0.915 1.00 . A A . 75 LEU HB2 1 1 13 5461 1 1 18 LEU HB3 H 3.170 2.199 2.232 1.00 . A A . 75 LEU HB3 1 1 13 5462 1 1 18 LEU HD11 H 0.997 -0.341 0.745 1.00 . A A . 75 LEU HD11 1 1 13 5463 1 1 18 LEU HD12 H 1.337 -1.594 1.945 1.00 . A A . 75 LEU HD12 1 1 13 5464 1 1 18 LEU HD13 H 2.577 -1.127 0.775 1.00 . A A . 75 LEU HD13 1 1 13 5465 1 1 18 LEU HD21 H 2.946 -1.133 3.771 1.00 . A A . 75 LEU HD21 1 1 13 5466 1 1 18 LEU HD22 H 3.631 0.482 3.949 1.00 . A A . 75 LEU HD22 1 1 13 5467 1 1 18 LEU HD23 H 4.186 -0.574 2.648 1.00 . A A . 75 LEU HD23 1 1 13 5468 1 1 18 LEU HG H 1.427 0.606 2.938 1.00 . A A . 75 LEU HG 1 1 13 5469 1 1 18 LEU N N 2.331 3.394 0.111 1.00 . A A . 75 LEU N 1 1 13 5470 1 1 18 LEU O O -0.574 1.912 1.068 1.00 . A A . 75 LEU O 1 1 13 5471 1 1 19 ALA C C -1.538 4.414 2.226 1.00 . A A . 76 ALA C 1 1 13 5472 1 1 19 ALA CA C -0.541 3.740 3.140 1.00 . A A . 76 ALA CA 1 1 13 5473 1 1 19 ALA CB C -0.119 4.673 4.265 1.00 . A A . 76 ALA CB 1 1 13 5474 1 1 19 ALA H H 1.506 3.574 2.652 1.00 . A A . 76 ALA H 1 1 13 5475 1 1 19 ALA HA H -1.020 2.871 3.577 1.00 . A A . 76 ALA HA 1 1 13 5476 1 1 19 ALA HB1 H 0.324 5.564 3.846 1.00 . A A . 76 ALA HB1 1 1 13 5477 1 1 19 ALA HB2 H 0.605 4.175 4.896 1.00 . A A . 76 ALA HB2 1 1 13 5478 1 1 19 ALA HB3 H -0.982 4.943 4.854 1.00 . A A . 76 ALA HB3 1 1 13 5479 1 1 19 ALA N N 0.611 3.288 2.387 1.00 . A A . 76 ALA N 1 1 13 5480 1 1 19 ALA O O -2.736 4.230 2.385 1.00 . A A . 76 ALA O 1 1 13 5481 1 1 20 ASN C C -2.728 4.702 -0.454 1.00 . A A . 77 ASN C 1 1 13 5482 1 1 20 ASN CA C -1.930 5.780 0.264 1.00 . A A . 77 ASN CA 1 1 13 5483 1 1 20 ASN CB C -1.125 6.609 -0.742 1.00 . A A . 77 ASN CB 1 1 13 5484 1 1 20 ASN CG C -1.999 7.234 -1.813 1.00 . A A . 77 ASN CG 1 1 13 5485 1 1 20 ASN H H -0.067 5.320 1.188 1.00 . A A . 77 ASN H 1 1 13 5486 1 1 20 ASN HA H -2.613 6.431 0.791 1.00 . A A . 77 ASN HA 1 1 13 5487 1 1 20 ASN HB2 H -0.610 7.397 -0.217 1.00 . A A . 77 ASN HB2 1 1 13 5488 1 1 20 ASN HB3 H -0.400 5.968 -1.224 1.00 . A A . 77 ASN HB3 1 1 13 5489 1 1 20 ASN HD21 H -1.631 5.715 -3.040 1.00 . A A . 77 ASN HD21 1 1 13 5490 1 1 20 ASN HD22 H -2.672 6.963 -3.664 1.00 . A A . 77 ASN HD22 1 1 13 5491 1 1 20 ASN N N -1.049 5.165 1.247 1.00 . A A . 77 ASN N 1 1 13 5492 1 1 20 ASN ND2 N -2.113 6.570 -2.950 1.00 . A A . 77 ASN ND2 1 1 13 5493 1 1 20 ASN O O -3.943 4.809 -0.604 1.00 . A A . 77 ASN O 1 1 13 5494 1 1 20 ASN OD1 O -2.549 8.318 -1.622 1.00 . A A . 77 ASN OD1 1 1 13 5495 1 1 21 HIS C C -3.755 1.899 -0.669 1.00 . A A . 78 HIS C 1 1 13 5496 1 1 21 HIS CA C -2.652 2.517 -1.530 1.00 . A A . 78 HIS CA 1 1 13 5497 1 1 21 HIS CB C -1.559 1.489 -1.838 1.00 . A A . 78 HIS CB 1 1 13 5498 1 1 21 HIS CD2 C -2.235 -0.993 -1.700 1.00 . A A . 78 HIS CD2 1 1 13 5499 1 1 21 HIS CE1 C -2.727 -1.352 -3.777 1.00 . A A . 78 HIS CE1 1 1 13 5500 1 1 21 HIS CG C -2.045 0.174 -2.358 1.00 . A A . 78 HIS CG 1 1 13 5501 1 1 21 HIS H H -1.057 3.609 -0.667 1.00 . A A . 78 HIS H 1 1 13 5502 1 1 21 HIS HA H -3.079 2.872 -2.456 1.00 . A A . 78 HIS HA 1 1 13 5503 1 1 21 HIS HB2 H -0.890 1.904 -2.577 1.00 . A A . 78 HIS HB2 1 1 13 5504 1 1 21 HIS HB3 H -1.000 1.296 -0.929 1.00 . A A . 78 HIS HB3 1 1 13 5505 1 1 21 HIS HD1 H -2.329 0.584 -4.412 1.00 . A A . 78 HIS HD1 1 1 13 5506 1 1 21 HIS HD2 H -2.076 -1.157 -0.643 1.00 . A A . 78 HIS HD2 1 1 13 5507 1 1 21 HIS HE1 H -3.028 -1.829 -4.696 1.00 . A A . 78 HIS HE1 1 1 13 5508 1 1 21 HIS N N -2.035 3.643 -0.850 1.00 . A A . 78 HIS N 1 1 13 5509 1 1 21 HIS ND1 N -2.361 -0.071 -3.674 1.00 . A A . 78 HIS ND1 1 1 13 5510 1 1 21 HIS NE2 N -2.671 -1.962 -2.598 1.00 . A A . 78 HIS NE2 1 1 13 5511 1 1 21 HIS O O -4.899 1.751 -1.103 1.00 . A A . 78 HIS O 1 1 13 5512 1 1 22 ILE C C -5.376 1.807 2.029 1.00 . A A . 79 ILE C 1 1 13 5513 1 1 22 ILE CA C -4.292 0.876 1.472 1.00 . A A . 79 ILE CA 1 1 13 5514 1 1 22 ILE CB C -3.471 0.241 2.601 1.00 . A A . 79 ILE CB 1 1 13 5515 1 1 22 ILE CD1 C -1.672 -1.520 2.969 1.00 . A A . 79 ILE CD1 1 1 13 5516 1 1 22 ILE CG1 C -2.474 -0.732 1.974 1.00 . A A . 79 ILE CG1 1 1 13 5517 1 1 22 ILE CG2 C -4.366 -0.470 3.603 1.00 . A A . 79 ILE CG2 1 1 13 5518 1 1 22 ILE H H -2.482 1.764 0.853 1.00 . A A . 79 ILE H 1 1 13 5519 1 1 22 ILE HA H -4.775 0.064 0.931 1.00 . A A . 79 ILE HA 1 1 13 5520 1 1 22 ILE HB H -2.930 1.018 3.116 1.00 . A A . 79 ILE HB 1 1 13 5521 1 1 22 ILE HD11 H -2.344 -2.008 3.657 1.00 . A A . 79 ILE HD11 1 1 13 5522 1 1 22 ILE HD12 H -1.018 -0.852 3.509 1.00 . A A . 79 ILE HD12 1 1 13 5523 1 1 22 ILE HD13 H -1.087 -2.264 2.444 1.00 . A A . 79 ILE HD13 1 1 13 5524 1 1 22 ILE HG12 H -3.013 -1.437 1.355 1.00 . A A . 79 ILE HG12 1 1 13 5525 1 1 22 ILE HG13 H -1.781 -0.174 1.355 1.00 . A A . 79 ILE HG13 1 1 13 5526 1 1 22 ILE HG21 H -4.911 -1.258 3.106 1.00 . A A . 79 ILE HG21 1 1 13 5527 1 1 22 ILE HG22 H -5.064 0.237 4.022 1.00 . A A . 79 ILE HG22 1 1 13 5528 1 1 22 ILE HG23 H -3.761 -0.889 4.392 1.00 . A A . 79 ILE HG23 1 1 13 5529 1 1 22 ILE N N -3.396 1.559 0.554 1.00 . A A . 79 ILE N 1 1 13 5530 1 1 22 ILE O O -6.440 1.341 2.430 1.00 . A A . 79 ILE O 1 1 13 5531 1 1 23 ARG C C -7.406 3.932 1.565 1.00 . A A . 80 ARG C 1 1 13 5532 1 1 23 ARG CA C -6.147 4.082 2.417 1.00 . A A . 80 ARG CA 1 1 13 5533 1 1 23 ARG CB C -5.602 5.492 2.276 1.00 . A A . 80 ARG CB 1 1 13 5534 1 1 23 ARG CD C -4.650 7.493 3.453 1.00 . A A . 80 ARG CD 1 1 13 5535 1 1 23 ARG CG C -4.840 5.987 3.493 1.00 . A A . 80 ARG CG 1 1 13 5536 1 1 23 ARG CZ C -3.419 9.090 2.024 1.00 . A A . 80 ARG CZ 1 1 13 5537 1 1 23 ARG H H -4.224 3.455 1.834 1.00 . A A . 80 ARG H 1 1 13 5538 1 1 23 ARG HA H -6.404 3.911 3.452 1.00 . A A . 80 ARG HA 1 1 13 5539 1 1 23 ARG HB2 H -4.934 5.519 1.427 1.00 . A A . 80 ARG HB2 1 1 13 5540 1 1 23 ARG HB3 H -6.415 6.151 2.092 1.00 . A A . 80 ARG HB3 1 1 13 5541 1 1 23 ARG HD2 H -5.607 7.960 3.617 1.00 . A A . 80 ARG HD2 1 1 13 5542 1 1 23 ARG HD3 H -3.972 7.776 4.245 1.00 . A A . 80 ARG HD3 1 1 13 5543 1 1 23 ARG HE H -4.294 7.407 1.380 1.00 . A A . 80 ARG HE 1 1 13 5544 1 1 23 ARG HG2 H -5.395 5.729 4.382 1.00 . A A . 80 ARG HG2 1 1 13 5545 1 1 23 ARG HG3 H -3.870 5.511 3.520 1.00 . A A . 80 ARG HG3 1 1 13 5546 1 1 23 ARG HH11 H -3.493 9.604 3.985 1.00 . A A . 80 ARG HH11 1 1 13 5547 1 1 23 ARG HH12 H -2.617 10.703 2.959 1.00 . A A . 80 ARG HH12 1 1 13 5548 1 1 23 ARG HH21 H -3.178 8.892 0.015 1.00 . A A . 80 ARG HH21 1 1 13 5549 1 1 23 ARG HH22 H -2.492 10.330 0.713 1.00 . A A . 80 ARG HH22 1 1 13 5550 1 1 23 ARG N N -5.125 3.119 2.041 1.00 . A A . 80 ARG N 1 1 13 5551 1 1 23 ARG NE N -4.111 7.959 2.174 1.00 . A A . 80 ARG NE 1 1 13 5552 1 1 23 ARG NH1 N -3.163 9.862 3.073 1.00 . A A . 80 ARG NH1 1 1 13 5553 1 1 23 ARG NH2 N -2.991 9.460 0.824 1.00 . A A . 80 ARG NH2 1 1 13 5554 1 1 23 ARG O O -8.515 4.213 2.020 1.00 . A A . 80 ARG O 1 1 13 5555 1 1 24 HIS C C -8.887 1.857 -0.468 1.00 . A A . 81 HIS C 1 1 13 5556 1 1 24 HIS CA C -8.352 3.287 -0.581 1.00 . A A . 81 HIS CA 1 1 13 5557 1 1 24 HIS CB C -7.932 3.615 -2.020 1.00 . A A . 81 HIS CB 1 1 13 5558 1 1 24 HIS CD2 C -9.091 3.225 -4.306 1.00 . A A . 81 HIS CD2 1 1 13 5559 1 1 24 HIS CE1 C -11.121 3.828 -3.752 1.00 . A A . 81 HIS CE1 1 1 13 5560 1 1 24 HIS CG C -9.062 3.599 -3.006 1.00 . A A . 81 HIS CG 1 1 13 5561 1 1 24 HIS H H -6.321 3.269 0.020 1.00 . A A . 81 HIS H 1 1 13 5562 1 1 24 HIS HA H -9.134 3.970 -0.283 1.00 . A A . 81 HIS HA 1 1 13 5563 1 1 24 HIS HB2 H -7.491 4.600 -2.040 1.00 . A A . 81 HIS HB2 1 1 13 5564 1 1 24 HIS HB3 H -7.196 2.892 -2.343 1.00 . A A . 81 HIS HB3 1 1 13 5565 1 1 24 HIS HD1 H -10.667 4.288 -1.807 1.00 . A A . 81 HIS HD1 1 1 13 5566 1 1 24 HIS HD2 H -8.251 2.873 -4.889 1.00 . A A . 81 HIS HD2 1 1 13 5567 1 1 24 HIS HE1 H -12.178 4.038 -3.801 1.00 . A A . 81 HIS HE1 1 1 13 5568 1 1 24 HIS HE2 H -10.739 2.993 -5.585 1.00 . A A . 81 HIS HE2 1 1 13 5569 1 1 24 HIS N N -7.229 3.479 0.327 1.00 . A A . 81 HIS N 1 1 13 5570 1 1 24 HIS ND1 N -10.353 3.973 -2.691 1.00 . A A . 81 HIS ND1 1 1 13 5571 1 1 24 HIS NE2 N -10.380 3.376 -4.745 1.00 . A A . 81 HIS NE2 1 1 13 5572 1 1 24 HIS O O -9.524 1.331 -1.380 1.00 . A A . 81 HIS O 1 1 13 5573 1 1 25 HIS C C -10.274 0.093 2.015 1.00 . A A . 82 HIS C 1 1 13 5574 1 1 25 HIS CA C -9.187 -0.070 0.972 1.00 . A A . 82 HIS CA 1 1 13 5575 1 1 25 HIS CB C -8.120 -1.040 1.462 1.00 . A A . 82 HIS CB 1 1 13 5576 1 1 25 HIS CD2 C -6.342 -2.518 0.400 1.00 . A A . 82 HIS CD2 1 1 13 5577 1 1 25 HIS CE1 C -7.177 -2.821 -1.561 1.00 . A A . 82 HIS CE1 1 1 13 5578 1 1 25 HIS CG C -7.507 -1.862 0.386 1.00 . A A . 82 HIS CG 1 1 13 5579 1 1 25 HIS H H -7.992 1.641 1.302 1.00 . A A . 82 HIS H 1 1 13 5580 1 1 25 HIS HA H -9.629 -0.459 0.068 1.00 . A A . 82 HIS HA 1 1 13 5581 1 1 25 HIS HB2 H -7.320 -0.480 1.928 1.00 . A A . 82 HIS HB2 1 1 13 5582 1 1 25 HIS HB3 H -8.542 -1.704 2.188 1.00 . A A . 82 HIS HB3 1 1 13 5583 1 1 25 HIS HD1 H -8.913 -1.728 -1.196 1.00 . A A . 82 HIS HD1 1 1 13 5584 1 1 25 HIS HD2 H -5.663 -2.573 1.239 1.00 . A A . 82 HIS HD2 1 1 13 5585 1 1 25 HIS HE1 H -7.320 -3.155 -2.581 1.00 . A A . 82 HIS HE1 1 1 13 5586 1 1 25 HIS N N -8.607 1.225 0.658 1.00 . A A . 82 HIS N 1 1 13 5587 1 1 25 HIS ND1 N -8.044 -2.063 -0.870 1.00 . A A . 82 HIS ND1 1 1 13 5588 1 1 25 HIS NE2 N -6.125 -3.116 -0.825 1.00 . A A . 82 HIS NE2 1 1 13 5589 1 1 25 HIS O O -10.725 -0.875 2.632 1.00 . A A . 82 HIS O 1 1 13 5590 1 1 26 ASP C C -13.016 1.910 2.246 1.00 . A A . 83 ASP C 1 1 13 5591 1 1 26 ASP CA C -11.777 1.667 3.086 1.00 . A A . 83 ASP CA 1 1 13 5592 1 1 26 ASP CB C -11.459 2.903 3.926 1.00 . A A . 83 ASP CB 1 1 13 5593 1 1 26 ASP CG C -12.664 3.396 4.703 1.00 . A A . 83 ASP CG 1 1 13 5594 1 1 26 ASP H H -10.202 2.061 1.753 1.00 . A A . 83 ASP H 1 1 13 5595 1 1 26 ASP HA H -11.954 0.825 3.739 1.00 . A A . 83 ASP HA 1 1 13 5596 1 1 26 ASP HB2 H -10.673 2.662 4.631 1.00 . A A . 83 ASP HB2 1 1 13 5597 1 1 26 ASP HB3 H -11.125 3.699 3.271 1.00 . A A . 83 ASP HB3 1 1 13 5598 1 1 26 ASP N N -10.669 1.337 2.216 1.00 . A A . 83 ASP N 1 1 13 5599 1 1 26 ASP O O -13.934 1.066 2.280 1.00 . A A . 83 ASP O 1 1 13 5600 1 1 26 ASP OXT O -13.050 2.922 1.517 1.00 . A A . 83 ASP OXT 1 1 13 5601 1 1 26 ASP OD1 O -13.175 2.644 5.558 1.00 . A A . 83 ASP OD1 1 1 13 5602 1 1 26 ASP OD2 O -13.112 4.536 4.455 1.00 . A A . 83 ASP OD2 1 1 13 5603 2 2 1 ZN ZN ZN -4.275 -2.951 -1.553 1.00 . B A . 101 ZN ZN 1 1 14 5604 1 1 1 LYS C C 10.006 -0.946 1.916 1.00 . A A . 58 LYS C 1 1 14 5605 1 1 1 LYS CA C 10.785 0.343 2.165 1.00 . A A . 58 LYS CA 1 1 14 5606 1 1 1 LYS CB C 9.843 1.425 2.704 1.00 . A A . 58 LYS CB 1 1 14 5607 1 1 1 LYS CD C 11.468 2.498 4.301 1.00 . A A . 58 LYS CD 1 1 14 5608 1 1 1 LYS CE C 11.672 3.012 5.718 1.00 . A A . 58 LYS CE 1 1 14 5609 1 1 1 LYS CG C 10.115 1.826 4.147 1.00 . A A . 58 LYS CG 1 1 14 5610 1 1 1 LYS H1 H 10.685 1.074 0.222 1.00 . A A . 58 LYS H1 1 1 14 5611 1 1 1 LYS H2 H 11.991 0.033 0.496 1.00 . A A . 58 LYS H2 1 1 14 5612 1 1 1 LYS H3 H 12.035 1.625 1.090 1.00 . A A . 58 LYS H3 1 1 14 5613 1 1 1 LYS HA H 11.563 0.152 2.890 1.00 . A A . 58 LYS HA 1 1 14 5614 1 1 1 LYS HB2 H 9.937 2.307 2.086 1.00 . A A . 58 LYS HB2 1 1 14 5615 1 1 1 LYS HB3 H 8.827 1.063 2.641 1.00 . A A . 58 LYS HB3 1 1 14 5616 1 1 1 LYS HD2 H 12.242 1.780 4.072 1.00 . A A . 58 LYS HD2 1 1 14 5617 1 1 1 LYS HD3 H 11.528 3.327 3.613 1.00 . A A . 58 LYS HD3 1 1 14 5618 1 1 1 LYS HE2 H 10.909 3.746 5.935 1.00 . A A . 58 LYS HE2 1 1 14 5619 1 1 1 LYS HE3 H 11.577 2.184 6.405 1.00 . A A . 58 LYS HE3 1 1 14 5620 1 1 1 LYS HG2 H 9.348 2.512 4.471 1.00 . A A . 58 LYS HG2 1 1 14 5621 1 1 1 LYS HG3 H 10.091 0.941 4.765 1.00 . A A . 58 LYS HG3 1 1 14 5622 1 1 1 LYS HZ1 H 13.758 2.944 5.699 1.00 . A A . 58 LYS HZ1 1 1 14 5623 1 1 1 LYS HZ2 H 13.114 3.977 6.877 1.00 . A A . 58 LYS HZ2 1 1 14 5624 1 1 1 LYS HZ3 H 13.113 4.447 5.247 1.00 . A A . 58 LYS HZ3 1 1 14 5625 1 1 1 LYS N N 11.418 0.802 0.909 1.00 . A A . 58 LYS N 1 1 14 5626 1 1 1 LYS NZ N 13.005 3.639 5.898 1.00 . A A . 58 LYS NZ 1 1 14 5627 1 1 1 LYS O O 9.377 -1.101 0.868 1.00 . A A . 58 LYS O 1 1 14 5628 1 1 2 PRO C C 7.900 -3.129 3.091 1.00 . A A . 59 PRO C 1 1 14 5629 1 1 2 PRO CA C 9.381 -3.185 2.738 1.00 . A A . 59 PRO CA 1 1 14 5630 1 1 2 PRO CB C 10.137 -4.073 3.737 1.00 . A A . 59 PRO CB 1 1 14 5631 1 1 2 PRO CD C 10.664 -1.757 4.180 1.00 . A A . 59 PRO CD 1 1 14 5632 1 1 2 PRO CG C 11.072 -3.170 4.486 1.00 . A A . 59 PRO CG 1 1 14 5633 1 1 2 PRO HA H 9.497 -3.582 1.739 1.00 . A A . 59 PRO HA 1 1 14 5634 1 1 2 PRO HB2 H 9.428 -4.542 4.406 1.00 . A A . 59 PRO HB2 1 1 14 5635 1 1 2 PRO HB3 H 10.680 -4.834 3.191 1.00 . A A . 59 PRO HB3 1 1 14 5636 1 1 2 PRO HD2 H 9.961 -1.396 4.917 1.00 . A A . 59 PRO HD2 1 1 14 5637 1 1 2 PRO HD3 H 11.529 -1.113 4.129 1.00 . A A . 59 PRO HD3 1 1 14 5638 1 1 2 PRO HG2 H 10.988 -3.358 5.545 1.00 . A A . 59 PRO HG2 1 1 14 5639 1 1 2 PRO HG3 H 12.086 -3.345 4.157 1.00 . A A . 59 PRO HG3 1 1 14 5640 1 1 2 PRO N N 10.027 -1.884 2.875 1.00 . A A . 59 PRO N 1 1 14 5641 1 1 2 PRO O O 7.445 -3.764 4.043 1.00 . A A . 59 PRO O 1 1 14 5642 1 1 3 TYR C C 4.906 -2.839 1.479 1.00 . A A . 60 TYR C 1 1 14 5643 1 1 3 TYR CA C 5.740 -2.177 2.561 1.00 . A A . 60 TYR CA 1 1 14 5644 1 1 3 TYR CB C 5.409 -0.689 2.665 1.00 . A A . 60 TYR CB 1 1 14 5645 1 1 3 TYR CD1 C 6.642 -0.227 4.818 1.00 . A A . 60 TYR CD1 1 1 14 5646 1 1 3 TYR CD2 C 4.341 0.382 4.682 1.00 . A A . 60 TYR CD2 1 1 14 5647 1 1 3 TYR CE1 C 6.691 0.240 6.115 1.00 . A A . 60 TYR CE1 1 1 14 5648 1 1 3 TYR CE2 C 4.385 0.855 5.979 1.00 . A A . 60 TYR CE2 1 1 14 5649 1 1 3 TYR CG C 5.466 -0.167 4.081 1.00 . A A . 60 TYR CG 1 1 14 5650 1 1 3 TYR CZ C 5.562 0.782 6.690 1.00 . A A . 60 TYR CZ 1 1 14 5651 1 1 3 TYR H H 7.575 -1.903 1.554 1.00 . A A . 60 TYR H 1 1 14 5652 1 1 3 TYR HA H 5.511 -2.648 3.505 1.00 . A A . 60 TYR HA 1 1 14 5653 1 1 3 TYR HB2 H 6.118 -0.127 2.076 1.00 . A A . 60 TYR HB2 1 1 14 5654 1 1 3 TYR HB3 H 4.413 -0.518 2.286 1.00 . A A . 60 TYR HB3 1 1 14 5655 1 1 3 TYR HD1 H 7.525 -0.652 4.364 1.00 . A A . 60 TYR HD1 1 1 14 5656 1 1 3 TYR HD2 H 3.419 0.439 4.121 1.00 . A A . 60 TYR HD2 1 1 14 5657 1 1 3 TYR HE1 H 7.613 0.186 6.673 1.00 . A A . 60 TYR HE1 1 1 14 5658 1 1 3 TYR HE2 H 3.500 1.278 6.429 1.00 . A A . 60 TYR HE2 1 1 14 5659 1 1 3 TYR HH H 4.782 1.007 8.437 1.00 . A A . 60 TYR HH 1 1 14 5660 1 1 3 TYR N N 7.157 -2.358 2.317 1.00 . A A . 60 TYR N 1 1 14 5661 1 1 3 TYR O O 4.852 -2.374 0.340 1.00 . A A . 60 TYR O 1 1 14 5662 1 1 3 TYR OH O 5.608 1.247 7.984 1.00 . A A . 60 TYR OH 1 1 14 5663 1 1 4 VAL C C 1.970 -4.594 1.458 1.00 . A A . 61 VAL C 1 1 14 5664 1 1 4 VAL CA C 3.395 -4.662 0.953 1.00 . A A . 61 VAL CA 1 1 14 5665 1 1 4 VAL CB C 3.803 -6.145 0.829 1.00 . A A . 61 VAL CB 1 1 14 5666 1 1 4 VAL CG1 C 2.900 -6.879 -0.153 1.00 . A A . 61 VAL CG1 1 1 14 5667 1 1 4 VAL CG2 C 5.251 -6.262 0.408 1.00 . A A . 61 VAL CG2 1 1 14 5668 1 1 4 VAL H H 4.404 -4.290 2.757 1.00 . A A . 61 VAL H 1 1 14 5669 1 1 4 VAL HA H 3.451 -4.206 -0.023 1.00 . A A . 61 VAL HA 1 1 14 5670 1 1 4 VAL HB H 3.695 -6.609 1.800 1.00 . A A . 61 VAL HB 1 1 14 5671 1 1 4 VAL HG11 H 3.178 -7.920 -0.191 1.00 . A A . 61 VAL HG11 1 1 14 5672 1 1 4 VAL HG12 H 3.007 -6.442 -1.136 1.00 . A A . 61 VAL HG12 1 1 14 5673 1 1 4 VAL HG13 H 1.872 -6.792 0.168 1.00 . A A . 61 VAL HG13 1 1 14 5674 1 1 4 VAL HG21 H 5.382 -5.769 -0.544 1.00 . A A . 61 VAL HG21 1 1 14 5675 1 1 4 VAL HG22 H 5.517 -7.304 0.315 1.00 . A A . 61 VAL HG22 1 1 14 5676 1 1 4 VAL HG23 H 5.882 -5.792 1.148 1.00 . A A . 61 VAL HG23 1 1 14 5677 1 1 4 VAL N N 4.275 -3.943 1.846 1.00 . A A . 61 VAL N 1 1 14 5678 1 1 4 VAL O O 1.717 -4.737 2.653 1.00 . A A . 61 VAL O 1 1 14 5679 1 1 5 CYS C C -0.716 -5.915 1.050 1.00 . A A . 62 CYS C 1 1 14 5680 1 1 5 CYS CA C -0.358 -4.454 0.891 1.00 . A A . 62 CYS CA 1 1 14 5681 1 1 5 CYS CB C -1.254 -3.829 -0.186 1.00 . A A . 62 CYS CB 1 1 14 5682 1 1 5 CYS H H 1.315 -4.149 -0.366 1.00 . A A . 62 CYS H 1 1 14 5683 1 1 5 CYS HA H -0.511 -3.945 1.831 1.00 . A A . 62 CYS HA 1 1 14 5684 1 1 5 CYS HB2 H -1.143 -2.763 -0.172 1.00 . A A . 62 CYS HB2 1 1 14 5685 1 1 5 CYS HB3 H -0.967 -4.212 -1.153 1.00 . A A . 62 CYS HB3 1 1 14 5686 1 1 5 CYS N N 1.044 -4.362 0.551 1.00 . A A . 62 CYS N 1 1 14 5687 1 1 5 CYS O O -0.934 -6.604 0.068 1.00 . A A . 62 CYS O 1 1 14 5688 1 1 5 CYS SG S -3.001 -4.168 0.044 1.00 . A A . 62 CYS SG 1 1 14 5689 1 1 6 GLU C C -2.630 -7.937 2.151 1.00 . A A . 63 GLU C 1 1 14 5690 1 1 6 GLU CA C -1.166 -7.767 2.524 1.00 . A A . 63 GLU CA 1 1 14 5691 1 1 6 GLU CB C -0.955 -8.138 3.989 1.00 . A A . 63 GLU CB 1 1 14 5692 1 1 6 GLU CD C 0.656 -8.413 5.901 1.00 . A A . 63 GLU CD 1 1 14 5693 1 1 6 GLU CG C 0.485 -8.016 4.451 1.00 . A A . 63 GLU CG 1 1 14 5694 1 1 6 GLU H H -0.508 -5.817 3.032 1.00 . A A . 63 GLU H 1 1 14 5695 1 1 6 GLU HA H -0.565 -8.412 1.901 1.00 . A A . 63 GLU HA 1 1 14 5696 1 1 6 GLU HB2 H -1.563 -7.491 4.603 1.00 . A A . 63 GLU HB2 1 1 14 5697 1 1 6 GLU HB3 H -1.273 -9.162 4.137 1.00 . A A . 63 GLU HB3 1 1 14 5698 1 1 6 GLU HG2 H 1.103 -8.655 3.840 1.00 . A A . 63 GLU HG2 1 1 14 5699 1 1 6 GLU HG3 H 0.800 -6.990 4.334 1.00 . A A . 63 GLU HG3 1 1 14 5700 1 1 6 GLU N N -0.759 -6.394 2.276 1.00 . A A . 63 GLU N 1 1 14 5701 1 1 6 GLU O O -3.109 -9.049 1.945 1.00 . A A . 63 GLU O 1 1 14 5702 1 1 6 GLU OE1 O 0.326 -7.600 6.790 1.00 . A A . 63 GLU OE1 1 1 14 5703 1 1 6 GLU OE2 O 1.123 -9.541 6.157 1.00 . A A . 63 GLU OE2 1 1 14 5704 1 1 7 ARG C C -5.024 -7.243 0.318 1.00 . A A . 64 ARG C 1 1 14 5705 1 1 7 ARG CA C -4.744 -6.813 1.762 1.00 . A A . 64 ARG CA 1 1 14 5706 1 1 7 ARG CB C -5.349 -5.437 2.049 1.00 . A A . 64 ARG CB 1 1 14 5707 1 1 7 ARG CD C -5.856 -3.730 3.836 1.00 . A A . 64 ARG CD 1 1 14 5708 1 1 7 ARG CG C -4.955 -4.877 3.408 1.00 . A A . 64 ARG CG 1 1 14 5709 1 1 7 ARG CZ C -8.217 -3.438 4.510 1.00 . A A . 64 ARG CZ 1 1 14 5710 1 1 7 ARG H H -2.871 -5.957 2.178 1.00 . A A . 64 ARG H 1 1 14 5711 1 1 7 ARG HA H -5.203 -7.532 2.424 1.00 . A A . 64 ARG HA 1 1 14 5712 1 1 7 ARG HB2 H -5.022 -4.744 1.288 1.00 . A A . 64 ARG HB2 1 1 14 5713 1 1 7 ARG HB3 H -6.422 -5.516 2.014 1.00 . A A . 64 ARG HB3 1 1 14 5714 1 1 7 ARG HD2 H -5.364 -3.176 4.627 1.00 . A A . 64 ARG HD2 1 1 14 5715 1 1 7 ARG HD3 H -6.020 -3.083 2.985 1.00 . A A . 64 ARG HD3 1 1 14 5716 1 1 7 ARG HE H -7.216 -5.168 4.552 1.00 . A A . 64 ARG HE 1 1 14 5717 1 1 7 ARG HG2 H -5.025 -5.664 4.144 1.00 . A A . 64 ARG HG2 1 1 14 5718 1 1 7 ARG HG3 H -3.936 -4.522 3.358 1.00 . A A . 64 ARG HG3 1 1 14 5719 1 1 7 ARG HH11 H -7.343 -1.739 3.839 1.00 . A A . 64 ARG HH11 1 1 14 5720 1 1 7 ARG HH12 H -8.993 -1.570 4.345 1.00 . A A . 64 ARG HH12 1 1 14 5721 1 1 7 ARG HH21 H -9.349 -4.950 5.231 1.00 . A A . 64 ARG HH21 1 1 14 5722 1 1 7 ARG HH22 H -10.143 -3.401 5.147 1.00 . A A . 64 ARG HH22 1 1 14 5723 1 1 7 ARG N N -3.327 -6.812 2.049 1.00 . A A . 64 ARG N 1 1 14 5724 1 1 7 ARG NE N -7.146 -4.208 4.326 1.00 . A A . 64 ARG NE 1 1 14 5725 1 1 7 ARG NH1 N -8.179 -2.145 4.208 1.00 . A A . 64 ARG NH1 1 1 14 5726 1 1 7 ARG NH2 N -9.324 -3.969 5.000 1.00 . A A . 64 ARG NH2 1 1 14 5727 1 1 7 ARG O O -5.951 -8.014 0.088 1.00 . A A . 64 ARG O 1 1 14 5728 1 1 8 CYS C C -3.160 -7.618 -2.755 1.00 . A A . 65 CYS C 1 1 14 5729 1 1 8 CYS CA C -4.463 -7.227 -2.040 1.00 . A A . 65 CYS CA 1 1 14 5730 1 1 8 CYS CB C -5.255 -6.192 -2.853 1.00 . A A . 65 CYS CB 1 1 14 5731 1 1 8 CYS H H -3.520 -6.106 -0.462 1.00 . A A . 65 CYS H 1 1 14 5732 1 1 8 CYS HA H -5.067 -8.120 -1.967 1.00 . A A . 65 CYS HA 1 1 14 5733 1 1 8 CYS HB2 H -5.616 -6.667 -3.756 1.00 . A A . 65 CYS HB2 1 1 14 5734 1 1 8 CYS HB3 H -6.101 -5.859 -2.263 1.00 . A A . 65 CYS HB3 1 1 14 5735 1 1 8 CYS N N -4.238 -6.768 -0.664 1.00 . A A . 65 CYS N 1 1 14 5736 1 1 8 CYS O O -3.169 -7.945 -3.941 1.00 . A A . 65 CYS O 1 1 14 5737 1 1 8 CYS SG S -4.334 -4.725 -3.354 1.00 . A A . 65 CYS SG 1 1 14 5738 1 1 9 GLY C C 0.092 -7.097 -3.232 1.00 . A A . 66 GLY C 1 1 14 5739 1 1 9 GLY CA C -0.791 -8.113 -2.526 1.00 . A A . 66 GLY CA 1 1 14 5740 1 1 9 GLY H H -2.086 -7.191 -1.127 1.00 . A A . 66 GLY H 1 1 14 5741 1 1 9 GLY HA2 H -0.238 -8.512 -1.684 1.00 . A A . 66 GLY HA2 1 1 14 5742 1 1 9 GLY HA3 H -1.003 -8.920 -3.210 1.00 . A A . 66 GLY HA3 1 1 14 5743 1 1 9 GLY N N -2.053 -7.579 -2.028 1.00 . A A . 66 GLY N 1 1 14 5744 1 1 9 GLY O O 1.258 -7.380 -3.509 1.00 . A A . 66 GLY O 1 1 14 5745 1 1 10 LYS C C 1.134 -4.047 -3.329 1.00 . A A . 67 LYS C 1 1 14 5746 1 1 10 LYS CA C 0.327 -4.929 -4.274 1.00 . A A . 67 LYS CA 1 1 14 5747 1 1 10 LYS CB C -0.621 -4.098 -5.127 1.00 . A A . 67 LYS CB 1 1 14 5748 1 1 10 LYS CD C -2.581 -4.191 -6.685 1.00 . A A . 67 LYS CD 1 1 14 5749 1 1 10 LYS CE C -3.322 -5.030 -7.713 1.00 . A A . 67 LYS CE 1 1 14 5750 1 1 10 LYS CG C -1.413 -4.948 -6.103 1.00 . A A . 67 LYS CG 1 1 14 5751 1 1 10 LYS H H -1.360 -5.718 -3.257 1.00 . A A . 67 LYS H 1 1 14 5752 1 1 10 LYS HA H 1.011 -5.456 -4.921 1.00 . A A . 67 LYS HA 1 1 14 5753 1 1 10 LYS HB2 H -1.312 -3.578 -4.479 1.00 . A A . 67 LYS HB2 1 1 14 5754 1 1 10 LYS HB3 H -0.049 -3.376 -5.689 1.00 . A A . 67 LYS HB3 1 1 14 5755 1 1 10 LYS HD2 H -3.256 -3.938 -5.881 1.00 . A A . 67 LYS HD2 1 1 14 5756 1 1 10 LYS HD3 H -2.217 -3.291 -7.156 1.00 . A A . 67 LYS HD3 1 1 14 5757 1 1 10 LYS HE2 H -3.771 -5.876 -7.214 1.00 . A A . 67 LYS HE2 1 1 14 5758 1 1 10 LYS HE3 H -4.094 -4.425 -8.157 1.00 . A A . 67 LYS HE3 1 1 14 5759 1 1 10 LYS HG2 H -0.766 -5.256 -6.908 1.00 . A A . 67 LYS HG2 1 1 14 5760 1 1 10 LYS HG3 H -1.786 -5.820 -5.585 1.00 . A A . 67 LYS HG3 1 1 14 5761 1 1 10 LYS HZ1 H -2.974 -6.022 -9.521 1.00 . A A . 67 LYS HZ1 1 1 14 5762 1 1 10 LYS HZ2 H -1.717 -6.196 -8.397 1.00 . A A . 67 LYS HZ2 1 1 14 5763 1 1 10 LYS HZ3 H -1.914 -4.732 -9.233 1.00 . A A . 67 LYS HZ3 1 1 14 5764 1 1 10 LYS N N -0.439 -5.923 -3.531 1.00 . A A . 67 LYS N 1 1 14 5765 1 1 10 LYS NZ N -2.420 -5.528 -8.789 1.00 . A A . 67 LYS NZ 1 1 14 5766 1 1 10 LYS O O 0.581 -3.413 -2.432 1.00 . A A . 67 LYS O 1 1 14 5767 1 1 11 ARG C C 3.880 -2.019 -3.226 1.00 . A A . 68 ARG C 1 1 14 5768 1 1 11 ARG CA C 3.335 -3.311 -2.625 1.00 . A A . 68 ARG CA 1 1 14 5769 1 1 11 ARG CB C 4.483 -4.219 -2.215 1.00 . A A . 68 ARG CB 1 1 14 5770 1 1 11 ARG CD C 6.504 -5.517 -2.875 1.00 . A A . 68 ARG CD 1 1 14 5771 1 1 11 ARG CG C 5.257 -4.802 -3.370 1.00 . A A . 68 ARG CG 1 1 14 5772 1 1 11 ARG CZ C 8.567 -6.320 -3.952 1.00 . A A . 68 ARG CZ 1 1 14 5773 1 1 11 ARG H H 2.828 -4.469 -4.302 1.00 . A A . 68 ARG H 1 1 14 5774 1 1 11 ARG HA H 2.770 -3.064 -1.747 1.00 . A A . 68 ARG HA 1 1 14 5775 1 1 11 ARG HB2 H 5.168 -3.651 -1.617 1.00 . A A . 68 ARG HB2 1 1 14 5776 1 1 11 ARG HB3 H 4.088 -5.038 -1.624 1.00 . A A . 68 ARG HB3 1 1 14 5777 1 1 11 ARG HD2 H 7.152 -4.794 -2.403 1.00 . A A . 68 ARG HD2 1 1 14 5778 1 1 11 ARG HD3 H 6.209 -6.260 -2.148 1.00 . A A . 68 ARG HD3 1 1 14 5779 1 1 11 ARG HE H 6.718 -6.546 -4.699 1.00 . A A . 68 ARG HE 1 1 14 5780 1 1 11 ARG HG2 H 4.627 -5.505 -3.890 1.00 . A A . 68 ARG HG2 1 1 14 5781 1 1 11 ARG HG3 H 5.543 -4.001 -4.032 1.00 . A A . 68 ARG HG3 1 1 14 5782 1 1 11 ARG HH11 H 8.851 -5.316 -2.208 1.00 . A A . 68 ARG HH11 1 1 14 5783 1 1 11 ARG HH12 H 10.296 -5.911 -2.967 1.00 . A A . 68 ARG HH12 1 1 14 5784 1 1 11 ARG HH21 H 8.619 -7.370 -5.683 1.00 . A A . 68 ARG HH21 1 1 14 5785 1 1 11 ARG HH22 H 10.165 -7.092 -4.935 1.00 . A A . 68 ARG HH22 1 1 14 5786 1 1 11 ARG N N 2.446 -4.013 -3.529 1.00 . A A . 68 ARG N 1 1 14 5787 1 1 11 ARG NE N 7.242 -6.175 -3.950 1.00 . A A . 68 ARG NE 1 1 14 5788 1 1 11 ARG NH1 N 9.297 -5.810 -2.964 1.00 . A A . 68 ARG NH1 1 1 14 5789 1 1 11 ARG NH2 N 9.163 -6.978 -4.937 1.00 . A A . 68 ARG NH2 1 1 14 5790 1 1 11 ARG O O 3.751 -1.767 -4.425 1.00 . A A . 68 ARG O 1 1 14 5791 1 1 12 PHE C C 6.387 0.264 -2.028 1.00 . A A . 69 PHE C 1 1 14 5792 1 1 12 PHE CA C 5.071 0.064 -2.738 1.00 . A A . 69 PHE CA 1 1 14 5793 1 1 12 PHE CB C 4.123 1.200 -2.379 1.00 . A A . 69 PHE CB 1 1 14 5794 1 1 12 PHE CD1 C 3.255 2.081 -4.563 1.00 . A A . 69 PHE CD1 1 1 14 5795 1 1 12 PHE CD2 C 1.755 0.905 -3.135 1.00 . A A . 69 PHE CD2 1 1 14 5796 1 1 12 PHE CE1 C 2.237 2.266 -5.477 1.00 . A A . 69 PHE CE1 1 1 14 5797 1 1 12 PHE CE2 C 0.736 1.087 -4.045 1.00 . A A . 69 PHE CE2 1 1 14 5798 1 1 12 PHE CG C 3.024 1.400 -3.382 1.00 . A A . 69 PHE CG 1 1 14 5799 1 1 12 PHE CZ C 1.009 1.775 -5.252 1.00 . A A . 69 PHE CZ 1 1 14 5800 1 1 12 PHE H H 4.612 -1.517 -1.441 1.00 . A A . 69 PHE H 1 1 14 5801 1 1 12 PHE HA H 5.247 0.073 -3.799 1.00 . A A . 69 PHE HA 1 1 14 5802 1 1 12 PHE HB2 H 3.668 0.989 -1.424 1.00 . A A . 69 PHE HB2 1 1 14 5803 1 1 12 PHE HB3 H 4.688 2.120 -2.311 1.00 . A A . 69 PHE HB3 1 1 14 5804 1 1 12 PHE HD1 H 4.245 2.472 -4.768 1.00 . A A . 69 PHE HD1 1 1 14 5805 1 1 12 PHE HD2 H 1.565 0.372 -2.215 1.00 . A A . 69 PHE HD2 1 1 14 5806 1 1 12 PHE HE1 H 2.427 2.799 -6.396 1.00 . A A . 69 PHE HE1 1 1 14 5807 1 1 12 PHE HE2 H -0.249 0.693 -3.840 1.00 . A A . 69 PHE HE2 1 1 14 5808 1 1 12 PHE HZ H 0.224 1.919 -5.979 1.00 . A A . 69 PHE HZ 1 1 14 5809 1 1 12 PHE N N 4.505 -1.220 -2.369 1.00 . A A . 69 PHE N 1 1 14 5810 1 1 12 PHE O O 6.571 -0.149 -0.883 1.00 . A A . 69 PHE O 1 1 14 5811 1 1 13 VAL C C 8.565 2.211 -1.148 1.00 . A A . 70 VAL C 1 1 14 5812 1 1 13 VAL CA C 8.613 1.166 -2.257 1.00 . A A . 70 VAL CA 1 1 14 5813 1 1 13 VAL CB C 9.491 1.671 -3.417 1.00 . A A . 70 VAL CB 1 1 14 5814 1 1 13 VAL CG1 C 10.927 1.769 -2.982 1.00 . A A . 70 VAL CG1 1 1 14 5815 1 1 13 VAL CG2 C 9.357 0.767 -4.638 1.00 . A A . 70 VAL CG2 1 1 14 5816 1 1 13 VAL H H 7.074 1.166 -3.640 1.00 . A A . 70 VAL H 1 1 14 5817 1 1 13 VAL HA H 9.041 0.252 -1.872 1.00 . A A . 70 VAL HA 1 1 14 5818 1 1 13 VAL HB H 9.153 2.661 -3.691 1.00 . A A . 70 VAL HB 1 1 14 5819 1 1 13 VAL HG11 H 11.526 2.134 -3.800 1.00 . A A . 70 VAL HG11 1 1 14 5820 1 1 13 VAL HG12 H 11.270 0.792 -2.686 1.00 . A A . 70 VAL HG12 1 1 14 5821 1 1 13 VAL HG13 H 10.997 2.446 -2.150 1.00 . A A . 70 VAL HG13 1 1 14 5822 1 1 13 VAL HG21 H 10.018 1.115 -5.418 1.00 . A A . 70 VAL HG21 1 1 14 5823 1 1 13 VAL HG22 H 8.339 0.791 -4.994 1.00 . A A . 70 VAL HG22 1 1 14 5824 1 1 13 VAL HG23 H 9.619 -0.245 -4.369 1.00 . A A . 70 VAL HG23 1 1 14 5825 1 1 13 VAL N N 7.297 0.885 -2.741 1.00 . A A . 70 VAL N 1 1 14 5826 1 1 13 VAL O O 9.436 2.247 -0.280 1.00 . A A . 70 VAL O 1 1 14 5827 1 1 14 GLN C C 6.221 3.755 0.726 1.00 . A A . 71 GLN C 1 1 14 5828 1 1 14 GLN CA C 7.386 4.085 -0.194 1.00 . A A . 71 GLN CA 1 1 14 5829 1 1 14 GLN CB C 7.136 5.393 -0.915 1.00 . A A . 71 GLN CB 1 1 14 5830 1 1 14 GLN CD C 8.350 7.236 -2.152 1.00 . A A . 71 GLN CD 1 1 14 5831 1 1 14 GLN CG C 8.226 5.745 -1.912 1.00 . A A . 71 GLN CG 1 1 14 5832 1 1 14 GLN H H 6.890 3.025 -1.903 1.00 . A A . 71 GLN H 1 1 14 5833 1 1 14 GLN HA H 8.295 4.159 0.381 1.00 . A A . 71 GLN HA 1 1 14 5834 1 1 14 GLN HB2 H 6.197 5.322 -1.451 1.00 . A A . 71 GLN HB2 1 1 14 5835 1 1 14 GLN HB3 H 7.070 6.167 -0.193 1.00 . A A . 71 GLN HB3 1 1 14 5836 1 1 14 GLN HE21 H 7.772 7.616 -0.289 1.00 . A A . 71 GLN HE21 1 1 14 5837 1 1 14 GLN HE22 H 8.134 9.001 -1.261 1.00 . A A . 71 GLN HE22 1 1 14 5838 1 1 14 GLN HG2 H 9.166 5.371 -1.541 1.00 . A A . 71 GLN HG2 1 1 14 5839 1 1 14 GLN HG3 H 7.998 5.264 -2.851 1.00 . A A . 71 GLN HG3 1 1 14 5840 1 1 14 GLN N N 7.547 3.063 -1.179 1.00 . A A . 71 GLN N 1 1 14 5841 1 1 14 GLN NE2 N 8.054 8.028 -1.134 1.00 . A A . 71 GLN NE2 1 1 14 5842 1 1 14 GLN O O 5.122 3.435 0.267 1.00 . A A . 71 GLN O 1 1 14 5843 1 1 14 GLN OE1 O 8.727 7.674 -3.239 1.00 . A A . 71 GLN OE1 1 1 14 5844 1 1 15 SER C C 4.250 4.480 2.832 1.00 . A A . 72 SER C 1 1 14 5845 1 1 15 SER CA C 5.463 3.583 3.042 1.00 . A A . 72 SER CA 1 1 14 5846 1 1 15 SER CB C 6.053 3.828 4.430 1.00 . A A . 72 SER CB 1 1 14 5847 1 1 15 SER H H 7.380 4.089 2.319 1.00 . A A . 72 SER H 1 1 14 5848 1 1 15 SER HA H 5.161 2.550 2.961 1.00 . A A . 72 SER HA 1 1 14 5849 1 1 15 SER HB2 H 6.143 4.889 4.600 1.00 . A A . 72 SER HB2 1 1 14 5850 1 1 15 SER HB3 H 5.403 3.395 5.176 1.00 . A A . 72 SER HB3 1 1 14 5851 1 1 15 SER HG H 8.011 3.928 4.472 1.00 . A A . 72 SER HG 1 1 14 5852 1 1 15 SER N N 6.475 3.844 2.028 1.00 . A A . 72 SER N 1 1 14 5853 1 1 15 SER O O 3.108 4.047 2.979 1.00 . A A . 72 SER O 1 1 14 5854 1 1 15 SER OG O 7.334 3.238 4.543 1.00 . A A . 72 SER OG 1 1 14 5855 1 1 16 SER C C 2.563 6.217 1.081 1.00 . A A . 73 SER C 1 1 14 5856 1 1 16 SER CA C 3.466 6.700 2.208 1.00 . A A . 73 SER CA 1 1 14 5857 1 1 16 SER CB C 4.080 8.058 1.848 1.00 . A A . 73 SER CB 1 1 14 5858 1 1 16 SER H H 5.455 6.014 2.381 1.00 . A A . 73 SER H 1 1 14 5859 1 1 16 SER HA H 2.878 6.805 3.109 1.00 . A A . 73 SER HA 1 1 14 5860 1 1 16 SER HB2 H 4.700 8.397 2.664 1.00 . A A . 73 SER HB2 1 1 14 5861 1 1 16 SER HB3 H 4.688 7.948 0.960 1.00 . A A . 73 SER HB3 1 1 14 5862 1 1 16 SER HG H 2.817 9.445 2.438 1.00 . A A . 73 SER HG 1 1 14 5863 1 1 16 SER N N 4.515 5.732 2.469 1.00 . A A . 73 SER N 1 1 14 5864 1 1 16 SER O O 1.344 6.270 1.194 1.00 . A A . 73 SER O 1 1 14 5865 1 1 16 SER OG O 3.079 9.034 1.599 1.00 . A A . 73 SER OG 1 1 14 5866 1 1 17 GLN C C 1.667 4.015 -0.915 1.00 . A A . 74 GLN C 1 1 14 5867 1 1 17 GLN CA C 2.420 5.307 -1.163 1.00 . A A . 74 GLN CA 1 1 14 5868 1 1 17 GLN CB C 3.355 5.164 -2.364 1.00 . A A . 74 GLN CB 1 1 14 5869 1 1 17 GLN CD C 2.934 7.463 -3.323 1.00 . A A . 74 GLN CD 1 1 14 5870 1 1 17 GLN CG C 3.969 6.481 -2.805 1.00 . A A . 74 GLN CG 1 1 14 5871 1 1 17 GLN H H 4.127 5.521 0.051 1.00 . A A . 74 GLN H 1 1 14 5872 1 1 17 GLN HA H 1.705 6.089 -1.367 1.00 . A A . 74 GLN HA 1 1 14 5873 1 1 17 GLN HB2 H 4.157 4.484 -2.104 1.00 . A A . 74 GLN HB2 1 1 14 5874 1 1 17 GLN HB3 H 2.796 4.752 -3.195 1.00 . A A . 74 GLN HB3 1 1 14 5875 1 1 17 GLN HE21 H 3.991 8.988 -2.610 1.00 . A A . 74 GLN HE21 1 1 14 5876 1 1 17 GLN HE22 H 2.519 9.400 -3.419 1.00 . A A . 74 GLN HE22 1 1 14 5877 1 1 17 GLN HG2 H 4.478 6.929 -1.965 1.00 . A A . 74 GLN HG2 1 1 14 5878 1 1 17 GLN HG3 H 4.681 6.284 -3.593 1.00 . A A . 74 GLN HG3 1 1 14 5879 1 1 17 GLN N N 3.167 5.691 0.020 1.00 . A A . 74 GLN N 1 1 14 5880 1 1 17 GLN NE2 N 3.170 8.744 -3.097 1.00 . A A . 74 GLN NE2 1 1 14 5881 1 1 17 GLN O O 0.571 3.818 -1.433 1.00 . A A . 74 GLN O 1 1 14 5882 1 1 17 GLN OE1 O 1.921 7.070 -3.903 1.00 . A A . 74 GLN OE1 1 1 14 5883 1 1 18 LEU C C 0.418 2.184 1.171 1.00 . A A . 75 LEU C 1 1 14 5884 1 1 18 LEU CA C 1.603 1.902 0.258 1.00 . A A . 75 LEU CA 1 1 14 5885 1 1 18 LEU CB C 2.616 0.956 0.922 1.00 . A A . 75 LEU CB 1 1 14 5886 1 1 18 LEU CD1 C 1.073 -0.730 1.980 1.00 . A A . 75 LEU CD1 1 1 14 5887 1 1 18 LEU CD2 C 1.807 -1.044 -0.366 1.00 . A A . 75 LEU CD2 1 1 14 5888 1 1 18 LEU CG C 2.209 -0.525 1.002 1.00 . A A . 75 LEU CG 1 1 14 5889 1 1 18 LEU H H 3.126 3.355 0.284 1.00 . A A . 75 LEU H 1 1 14 5890 1 1 18 LEU HA H 1.235 1.453 -0.654 1.00 . A A . 75 LEU HA 1 1 14 5891 1 1 18 LEU HB2 H 3.545 1.019 0.368 1.00 . A A . 75 LEU HB2 1 1 14 5892 1 1 18 LEU HB3 H 2.793 1.310 1.931 1.00 . A A . 75 LEU HB3 1 1 14 5893 1 1 18 LEU HD11 H 0.850 -1.782 2.058 1.00 . A A . 75 LEU HD11 1 1 14 5894 1 1 18 LEU HD12 H 0.202 -0.199 1.619 1.00 . A A . 75 LEU HD12 1 1 14 5895 1 1 18 LEU HD13 H 1.356 -0.343 2.947 1.00 . A A . 75 LEU HD13 1 1 14 5896 1 1 18 LEU HD21 H 2.645 -0.964 -1.043 1.00 . A A . 75 LEU HD21 1 1 14 5897 1 1 18 LEU HD22 H 0.982 -0.459 -0.746 1.00 . A A . 75 LEU HD22 1 1 14 5898 1 1 18 LEU HD23 H 1.508 -2.079 -0.285 1.00 . A A . 75 LEU HD23 1 1 14 5899 1 1 18 LEU HG H 3.053 -1.105 1.345 1.00 . A A . 75 LEU HG 1 1 14 5900 1 1 18 LEU N N 2.244 3.150 -0.093 1.00 . A A . 75 LEU N 1 1 14 5901 1 1 18 LEU O O -0.631 1.566 1.048 1.00 . A A . 75 LEU O 1 1 14 5902 1 1 19 ALA C C -1.526 4.341 2.162 1.00 . A A . 76 ALA C 1 1 14 5903 1 1 19 ALA CA C -0.535 3.504 2.935 1.00 . A A . 76 ALA CA 1 1 14 5904 1 1 19 ALA CB C -0.045 4.235 4.174 1.00 . A A . 76 ALA CB 1 1 14 5905 1 1 19 ALA H H 1.444 3.577 2.182 1.00 . A A . 76 ALA H 1 1 14 5906 1 1 19 ALA HA H -1.042 2.589 3.245 1.00 . A A . 76 ALA HA 1 1 14 5907 1 1 19 ALA HB1 H -0.884 4.455 4.818 1.00 . A A . 76 ALA HB1 1 1 14 5908 1 1 19 ALA HB2 H 0.438 5.157 3.881 1.00 . A A . 76 ALA HB2 1 1 14 5909 1 1 19 ALA HB3 H 0.661 3.610 4.702 1.00 . A A . 76 ALA HB3 1 1 14 5910 1 1 19 ALA N N 0.572 3.132 2.078 1.00 . A A . 76 ALA N 1 1 14 5911 1 1 19 ALA O O -2.717 4.291 2.434 1.00 . A A . 76 ALA O 1 1 14 5912 1 1 20 ASN C C -2.755 4.729 -0.490 1.00 . A A . 77 ASN C 1 1 14 5913 1 1 20 ASN CA C -1.942 5.778 0.256 1.00 . A A . 77 ASN CA 1 1 14 5914 1 1 20 ASN CB C -1.160 6.651 -0.730 1.00 . A A . 77 ASN CB 1 1 14 5915 1 1 20 ASN CG C -2.067 7.492 -1.607 1.00 . A A . 77 ASN CG 1 1 14 5916 1 1 20 ASN H H -0.060 5.198 1.072 1.00 . A A . 77 ASN H 1 1 14 5917 1 1 20 ASN HA H -2.610 6.399 0.837 1.00 . A A . 77 ASN HA 1 1 14 5918 1 1 20 ASN HB2 H -0.511 7.314 -0.178 1.00 . A A . 77 ASN HB2 1 1 14 5919 1 1 20 ASN HB3 H -0.561 6.016 -1.367 1.00 . A A . 77 ASN HB3 1 1 14 5920 1 1 20 ASN HD21 H -1.992 8.983 -0.284 1.00 . A A . 77 ASN HD21 1 1 14 5921 1 1 20 ASN HD22 H -2.956 9.271 -1.712 1.00 . A A . 77 ASN HD22 1 1 14 5922 1 1 20 ASN N N -1.042 5.093 1.176 1.00 . A A . 77 ASN N 1 1 14 5923 1 1 20 ASN ND2 N -2.371 8.701 -1.160 1.00 . A A . 77 ASN ND2 1 1 14 5924 1 1 20 ASN O O -3.948 4.898 -0.734 1.00 . A A . 77 ASN O 1 1 14 5925 1 1 20 ASN OD1 O -2.490 7.063 -2.680 1.00 . A A . 77 ASN OD1 1 1 14 5926 1 1 21 HIS C C -3.796 1.911 -0.482 1.00 . A A . 78 HIS C 1 1 14 5927 1 1 21 HIS CA C -2.704 2.455 -1.400 1.00 . A A . 78 HIS CA 1 1 14 5928 1 1 21 HIS CB C -1.616 1.403 -1.624 1.00 . A A . 78 HIS CB 1 1 14 5929 1 1 21 HIS CD2 C -2.491 -1.013 -1.536 1.00 . A A . 78 HIS CD2 1 1 14 5930 1 1 21 HIS CE1 C -2.505 -1.465 -3.653 1.00 . A A . 78 HIS CE1 1 1 14 5931 1 1 21 HIS CG C -2.086 0.102 -2.181 1.00 . A A . 78 HIS CG 1 1 14 5932 1 1 21 HIS H H -1.111 3.607 -0.646 1.00 . A A . 78 HIS H 1 1 14 5933 1 1 21 HIS HA H -3.135 2.735 -2.348 1.00 . A A . 78 HIS HA 1 1 14 5934 1 1 21 HIS HB2 H -0.875 1.800 -2.297 1.00 . A A . 78 HIS HB2 1 1 14 5935 1 1 21 HIS HB3 H -1.145 1.194 -0.671 1.00 . A A . 78 HIS HB3 1 1 14 5936 1 1 21 HIS HD1 H -1.887 0.419 -4.264 1.00 . A A . 78 HIS HD1 1 1 14 5937 1 1 21 HIS HD2 H -2.610 -1.118 -0.465 1.00 . A A . 78 HIS HD2 1 1 14 5938 1 1 21 HIS HE1 H -2.622 -1.978 -4.596 1.00 . A A . 78 HIS HE1 1 1 14 5939 1 1 21 HIS N N -2.083 3.630 -0.810 1.00 . A A . 78 HIS N 1 1 14 5940 1 1 21 HIS ND1 N -2.105 -0.200 -3.524 1.00 . A A . 78 HIS ND1 1 1 14 5941 1 1 21 HIS NE2 N -2.753 -2.009 -2.470 1.00 . A A . 78 HIS NE2 1 1 14 5942 1 1 21 HIS O O -4.917 1.647 -0.917 1.00 . A A . 78 HIS O 1 1 14 5943 1 1 22 ILE C C -5.553 2.229 1.958 1.00 . A A . 79 ILE C 1 1 14 5944 1 1 22 ILE CA C -4.396 1.253 1.779 1.00 . A A . 79 ILE CA 1 1 14 5945 1 1 22 ILE CB C -3.717 1.041 3.144 1.00 . A A . 79 ILE CB 1 1 14 5946 1 1 22 ILE CD1 C -2.669 -1.112 2.302 1.00 . A A . 79 ILE CD1 1 1 14 5947 1 1 22 ILE CG1 C -2.447 0.215 2.981 1.00 . A A . 79 ILE CG1 1 1 14 5948 1 1 22 ILE CG2 C -4.672 0.359 4.103 1.00 . A A . 79 ILE CG2 1 1 14 5949 1 1 22 ILE H H -2.536 1.949 1.067 1.00 . A A . 79 ILE H 1 1 14 5950 1 1 22 ILE HA H -4.776 0.301 1.435 1.00 . A A . 79 ILE HA 1 1 14 5951 1 1 22 ILE HB H -3.461 2.006 3.551 1.00 . A A . 79 ILE HB 1 1 14 5952 1 1 22 ILE HD11 H -3.046 -0.942 1.306 1.00 . A A . 79 ILE HD11 1 1 14 5953 1 1 22 ILE HD12 H -3.387 -1.689 2.865 1.00 . A A . 79 ILE HD12 1 1 14 5954 1 1 22 ILE HD13 H -1.733 -1.643 2.247 1.00 . A A . 79 ILE HD13 1 1 14 5955 1 1 22 ILE HG12 H -1.745 0.771 2.378 1.00 . A A . 79 ILE HG12 1 1 14 5956 1 1 22 ILE HG13 H -2.017 0.023 3.958 1.00 . A A . 79 ILE HG13 1 1 14 5957 1 1 22 ILE HG21 H -5.540 0.983 4.246 1.00 . A A . 79 ILE HG21 1 1 14 5958 1 1 22 ILE HG22 H -4.178 0.200 5.049 1.00 . A A . 79 ILE HG22 1 1 14 5959 1 1 22 ILE HG23 H -4.974 -0.588 3.685 1.00 . A A . 79 ILE HG23 1 1 14 5960 1 1 22 ILE N N -3.455 1.745 0.789 1.00 . A A . 79 ILE N 1 1 14 5961 1 1 22 ILE O O -6.706 1.826 2.103 1.00 . A A . 79 ILE O 1 1 14 5962 1 1 23 ARG C C -7.349 4.481 1.074 1.00 . A A . 80 ARG C 1 1 14 5963 1 1 23 ARG CA C -6.215 4.567 2.099 1.00 . A A . 80 ARG CA 1 1 14 5964 1 1 23 ARG CB C -5.516 5.909 2.004 1.00 . A A . 80 ARG CB 1 1 14 5965 1 1 23 ARG CD C -4.077 7.617 3.122 1.00 . A A . 80 ARG CD 1 1 14 5966 1 1 23 ARG CG C -4.750 6.271 3.260 1.00 . A A . 80 ARG CG 1 1 14 5967 1 1 23 ARG CZ C -2.775 9.140 4.562 1.00 . A A . 80 ARG CZ 1 1 14 5968 1 1 23 ARG H H -4.284 3.778 1.871 1.00 . A A . 80 ARG H 1 1 14 5969 1 1 23 ARG HA H -6.637 4.480 3.087 1.00 . A A . 80 ARG HA 1 1 14 5970 1 1 23 ARG HB2 H -4.820 5.883 1.178 1.00 . A A . 80 ARG HB2 1 1 14 5971 1 1 23 ARG HB3 H -6.243 6.658 1.820 1.00 . A A . 80 ARG HB3 1 1 14 5972 1 1 23 ARG HD2 H -3.484 7.616 2.220 1.00 . A A . 80 ARG HD2 1 1 14 5973 1 1 23 ARG HD3 H -4.841 8.375 3.050 1.00 . A A . 80 ARG HD3 1 1 14 5974 1 1 23 ARG HE H -2.934 7.154 4.831 1.00 . A A . 80 ARG HE 1 1 14 5975 1 1 23 ARG HG2 H -5.436 6.306 4.092 1.00 . A A . 80 ARG HG2 1 1 14 5976 1 1 23 ARG HG3 H -3.997 5.518 3.443 1.00 . A A . 80 ARG HG3 1 1 14 5977 1 1 23 ARG HH11 H -3.757 10.051 3.046 1.00 . A A . 80 ARG HH11 1 1 14 5978 1 1 23 ARG HH12 H -2.828 11.107 4.067 1.00 . A A . 80 ARG HH12 1 1 14 5979 1 1 23 ARG HH21 H -1.685 8.536 6.159 1.00 . A A . 80 ARG HH21 1 1 14 5980 1 1 23 ARG HH22 H -1.621 10.235 5.816 1.00 . A A . 80 ARG HH22 1 1 14 5981 1 1 23 ARG N N -5.233 3.517 1.949 1.00 . A A . 80 ARG N 1 1 14 5982 1 1 23 ARG NE N -3.212 7.918 4.261 1.00 . A A . 80 ARG NE 1 1 14 5983 1 1 23 ARG NH1 N -3.148 10.180 3.830 1.00 . A A . 80 ARG NH1 1 1 14 5984 1 1 23 ARG NH2 N -1.967 9.320 5.596 1.00 . A A . 80 ARG NH2 1 1 14 5985 1 1 23 ARG O O -8.478 4.871 1.371 1.00 . A A . 80 ARG O 1 1 14 5986 1 1 24 HIS C C -8.628 2.368 -1.162 1.00 . A A . 81 HIS C 1 1 14 5987 1 1 24 HIS CA C -8.134 3.816 -1.119 1.00 . A A . 81 HIS CA 1 1 14 5988 1 1 24 HIS CB C -7.731 4.317 -2.518 1.00 . A A . 81 HIS CB 1 1 14 5989 1 1 24 HIS CD2 C -5.273 3.837 -3.191 1.00 . A A . 81 HIS CD2 1 1 14 5990 1 1 24 HIS CE1 C -5.617 2.074 -4.441 1.00 . A A . 81 HIS CE1 1 1 14 5991 1 1 24 HIS CG C -6.601 3.586 -3.180 1.00 . A A . 81 HIS CG 1 1 14 5992 1 1 24 HIS H H -6.151 3.719 -0.346 1.00 . A A . 81 HIS H 1 1 14 5993 1 1 24 HIS HA H -8.961 4.424 -0.775 1.00 . A A . 81 HIS HA 1 1 14 5994 1 1 24 HIS HB2 H -8.587 4.238 -3.170 1.00 . A A . 81 HIS HB2 1 1 14 5995 1 1 24 HIS HB3 H -7.449 5.358 -2.444 1.00 . A A . 81 HIS HB3 1 1 14 5996 1 1 24 HIS HD1 H -7.651 2.051 -4.183 1.00 . A A . 81 HIS HD1 1 1 14 5997 1 1 24 HIS HD2 H -4.767 4.640 -2.673 1.00 . A A . 81 HIS HD2 1 1 14 5998 1 1 24 HIS HE1 H -5.453 1.226 -5.090 1.00 . A A . 81 HIS HE1 1 1 14 5999 1 1 24 HIS HE2 H -3.760 2.920 -4.315 1.00 . A A . 81 HIS HE2 1 1 14 6000 1 1 24 HIS N N -7.071 3.981 -0.128 1.00 . A A . 81 HIS N 1 1 14 6001 1 1 24 HIS ND1 N -6.784 2.475 -3.974 1.00 . A A . 81 HIS ND1 1 1 14 6002 1 1 24 HIS NE2 N -4.684 2.883 -3.982 1.00 . A A . 81 HIS NE2 1 1 14 6003 1 1 24 HIS O O -9.059 1.868 -2.199 1.00 . A A . 81 HIS O 1 1 14 6004 1 1 25 HIS C C -10.481 0.597 0.945 1.00 . A A . 82 HIS C 1 1 14 6005 1 1 25 HIS CA C -9.185 0.399 0.171 1.00 . A A . 82 HIS CA 1 1 14 6006 1 1 25 HIS CB C -8.275 -0.559 0.944 1.00 . A A . 82 HIS CB 1 1 14 6007 1 1 25 HIS CD2 C -6.256 -1.953 0.161 1.00 . A A . 82 HIS CD2 1 1 14 6008 1 1 25 HIS CE1 C -7.190 -3.113 -1.416 1.00 . A A . 82 HIS CE1 1 1 14 6009 1 1 25 HIS CG C -7.546 -1.551 0.098 1.00 . A A . 82 HIS CG 1 1 14 6010 1 1 25 HIS H H -8.020 2.079 0.718 1.00 . A A . 82 HIS H 1 1 14 6011 1 1 25 HIS HA H -9.409 -0.018 -0.799 1.00 . A A . 82 HIS HA 1 1 14 6012 1 1 25 HIS HB2 H -7.535 0.019 1.476 1.00 . A A . 82 HIS HB2 1 1 14 6013 1 1 25 HIS HB3 H -8.866 -1.108 1.661 1.00 . A A . 82 HIS HB3 1 1 14 6014 1 1 25 HIS HD1 H -9.073 -2.257 -1.197 1.00 . A A . 82 HIS HD1 1 1 14 6015 1 1 25 HIS HD2 H -5.496 -1.567 0.829 1.00 . A A . 82 HIS HD2 1 1 14 6016 1 1 25 HIS HE1 H -7.348 -3.813 -2.225 1.00 . A A . 82 HIS HE1 1 1 14 6017 1 1 25 HIS N N -8.541 1.695 -0.022 1.00 . A A . 82 HIS N 1 1 14 6018 1 1 25 HIS ND1 N -8.130 -2.297 -0.913 1.00 . A A . 82 HIS ND1 1 1 14 6019 1 1 25 HIS NE2 N -6.049 -2.937 -0.790 1.00 . A A . 82 HIS NE2 1 1 14 6020 1 1 25 HIS O O -11.013 -0.331 1.552 1.00 . A A . 82 HIS O 1 1 14 6021 1 1 26 ASP C C -13.414 1.950 0.875 1.00 . A A . 83 ASP C 1 1 14 6022 1 1 26 ASP CA C -12.148 2.201 1.683 1.00 . A A . 83 ASP CA 1 1 14 6023 1 1 26 ASP CB C -12.045 3.674 2.085 1.00 . A A . 83 ASP CB 1 1 14 6024 1 1 26 ASP CG C -13.227 4.152 2.903 1.00 . A A . 83 ASP CG 1 1 14 6025 1 1 26 ASP H H -10.538 2.496 0.360 1.00 . A A . 83 ASP H 1 1 14 6026 1 1 26 ASP HA H -12.175 1.594 2.575 1.00 . A A . 83 ASP HA 1 1 14 6027 1 1 26 ASP HB2 H -11.148 3.816 2.672 1.00 . A A . 83 ASP HB2 1 1 14 6028 1 1 26 ASP HB3 H -11.985 4.278 1.188 1.00 . A A . 83 ASP HB3 1 1 14 6029 1 1 26 ASP N N -10.973 1.823 0.920 1.00 . A A . 83 ASP N 1 1 14 6030 1 1 26 ASP O O -13.703 2.746 -0.043 1.00 . A A . 83 ASP O 1 1 14 6031 1 1 26 ASP OXT O -14.103 0.951 1.151 1.00 . A A . 83 ASP OXT 1 1 14 6032 1 1 26 ASP OD1 O -13.343 3.749 4.079 1.00 . A A . 83 ASP OD1 1 1 14 6033 1 1 26 ASP OD2 O -14.029 4.954 2.382 1.00 . A A . 83 ASP OD2 1 1 14 6034 2 2 1 ZN ZN ZN -4.254 -3.197 -1.630 1.00 . B A . 101 ZN ZN 1 1 15 6035 1 1 1 LYS C C 9.300 -5.087 0.858 1.00 . A A . 58 LYS C 1 1 15 6036 1 1 1 LYS CA C 9.961 -5.489 -0.455 1.00 . A A . 58 LYS CA 1 1 15 6037 1 1 1 LYS CB C 9.114 -5.057 -1.660 1.00 . A A . 58 LYS CB 1 1 15 6038 1 1 1 LYS CD C 8.896 -5.080 -4.187 1.00 . A A . 58 LYS CD 1 1 15 6039 1 1 1 LYS CE C 8.698 -3.583 -4.377 1.00 . A A . 58 LYS CE 1 1 15 6040 1 1 1 LYS CG C 9.779 -5.394 -2.988 1.00 . A A . 58 LYS CG 1 1 15 6041 1 1 1 LYS H1 H 9.253 -7.446 -0.437 1.00 . A A . 58 LYS H1 1 1 15 6042 1 1 1 LYS H2 H 10.744 -7.246 0.338 1.00 . A A . 58 LYS H2 1 1 15 6043 1 1 1 LYS H3 H 10.663 -7.235 -1.356 1.00 . A A . 58 LYS H3 1 1 15 6044 1 1 1 LYS HA H 10.928 -5.011 -0.512 1.00 . A A . 58 LYS HA 1 1 15 6045 1 1 1 LYS HB2 H 8.157 -5.556 -1.616 1.00 . A A . 58 LYS HB2 1 1 15 6046 1 1 1 LYS HB3 H 8.961 -3.990 -1.617 1.00 . A A . 58 LYS HB3 1 1 15 6047 1 1 1 LYS HD2 H 9.362 -5.484 -5.074 1.00 . A A . 58 LYS HD2 1 1 15 6048 1 1 1 LYS HD3 H 7.934 -5.547 -4.042 1.00 . A A . 58 LYS HD3 1 1 15 6049 1 1 1 LYS HE2 H 8.002 -3.224 -3.633 1.00 . A A . 58 LYS HE2 1 1 15 6050 1 1 1 LYS HE3 H 9.648 -3.088 -4.252 1.00 . A A . 58 LYS HE3 1 1 15 6051 1 1 1 LYS HG2 H 10.690 -4.821 -3.074 1.00 . A A . 58 LYS HG2 1 1 15 6052 1 1 1 LYS HG3 H 10.017 -6.447 -2.998 1.00 . A A . 58 LYS HG3 1 1 15 6053 1 1 1 LYS HZ1 H 7.317 -3.855 -5.925 1.00 . A A . 58 LYS HZ1 1 1 15 6054 1 1 1 LYS HZ2 H 8.888 -3.487 -6.454 1.00 . A A . 58 LYS HZ2 1 1 15 6055 1 1 1 LYS HZ3 H 7.909 -2.271 -5.800 1.00 . A A . 58 LYS HZ3 1 1 15 6056 1 1 1 LYS N N 10.170 -6.954 -0.481 1.00 . A A . 58 LYS N 1 1 15 6057 1 1 1 LYS NZ N 8.164 -3.277 -5.730 1.00 . A A . 58 LYS NZ 1 1 15 6058 1 1 1 LYS O O 8.397 -5.775 1.338 1.00 . A A . 58 LYS O 1 1 15 6059 1 1 2 PRO C C 7.929 -3.160 2.979 1.00 . A A . 59 PRO C 1 1 15 6060 1 1 2 PRO CA C 9.385 -3.578 2.820 1.00 . A A . 59 PRO CA 1 1 15 6061 1 1 2 PRO CB C 10.306 -2.385 3.127 1.00 . A A . 59 PRO CB 1 1 15 6062 1 1 2 PRO CD C 10.630 -2.966 0.830 1.00 . A A . 59 PRO CD 1 1 15 6063 1 1 2 PRO CG C 11.302 -2.342 2.017 1.00 . A A . 59 PRO CG 1 1 15 6064 1 1 2 PRO HA H 9.599 -4.380 3.514 1.00 . A A . 59 PRO HA 1 1 15 6065 1 1 2 PRO HB2 H 9.719 -1.479 3.162 1.00 . A A . 59 PRO HB2 1 1 15 6066 1 1 2 PRO HB3 H 10.789 -2.542 4.083 1.00 . A A . 59 PRO HB3 1 1 15 6067 1 1 2 PRO HD2 H 10.062 -2.226 0.286 1.00 . A A . 59 PRO HD2 1 1 15 6068 1 1 2 PRO HD3 H 11.356 -3.439 0.187 1.00 . A A . 59 PRO HD3 1 1 15 6069 1 1 2 PRO HG2 H 11.566 -1.317 1.803 1.00 . A A . 59 PRO HG2 1 1 15 6070 1 1 2 PRO HG3 H 12.182 -2.907 2.290 1.00 . A A . 59 PRO HG3 1 1 15 6071 1 1 2 PRO N N 9.743 -3.962 1.449 1.00 . A A . 59 PRO N 1 1 15 6072 1 1 2 PRO O O 7.399 -3.161 4.093 1.00 . A A . 59 PRO O 1 1 15 6073 1 1 3 TYR C C 5.009 -3.030 0.986 1.00 . A A . 60 TYR C 1 1 15 6074 1 1 3 TYR CA C 5.930 -2.278 1.935 1.00 . A A . 60 TYR CA 1 1 15 6075 1 1 3 TYR CB C 5.941 -0.778 1.636 1.00 . A A . 60 TYR CB 1 1 15 6076 1 1 3 TYR CD1 C 6.101 0.340 3.881 1.00 . A A . 60 TYR CD1 1 1 15 6077 1 1 3 TYR CD2 C 8.026 0.375 2.479 1.00 . A A . 60 TYR CD2 1 1 15 6078 1 1 3 TYR CE1 C 6.792 1.029 4.855 1.00 . A A . 60 TYR CE1 1 1 15 6079 1 1 3 TYR CE2 C 8.728 1.058 3.450 1.00 . A A . 60 TYR CE2 1 1 15 6080 1 1 3 TYR CG C 6.701 0.004 2.679 1.00 . A A . 60 TYR CG 1 1 15 6081 1 1 3 TYR CZ C 8.106 1.384 4.635 1.00 . A A . 60 TYR CZ 1 1 15 6082 1 1 3 TYR H H 7.730 -2.887 1.011 1.00 . A A . 60 TYR H 1 1 15 6083 1 1 3 TYR HA H 5.573 -2.424 2.944 1.00 . A A . 60 TYR HA 1 1 15 6084 1 1 3 TYR HB2 H 6.413 -0.607 0.678 1.00 . A A . 60 TYR HB2 1 1 15 6085 1 1 3 TYR HB3 H 4.928 -0.407 1.610 1.00 . A A . 60 TYR HB3 1 1 15 6086 1 1 3 TYR HD1 H 5.070 0.058 4.048 1.00 . A A . 60 TYR HD1 1 1 15 6087 1 1 3 TYR HD2 H 8.507 0.118 1.545 1.00 . A A . 60 TYR HD2 1 1 15 6088 1 1 3 TYR HE1 H 6.305 1.287 5.783 1.00 . A A . 60 TYR HE1 1 1 15 6089 1 1 3 TYR HE2 H 9.757 1.338 3.278 1.00 . A A . 60 TYR HE2 1 1 15 6090 1 1 3 TYR HH H 9.349 2.748 5.212 1.00 . A A . 60 TYR HH 1 1 15 6091 1 1 3 TYR N N 7.287 -2.798 1.878 1.00 . A A . 60 TYR N 1 1 15 6092 1 1 3 TYR O O 5.082 -2.876 -0.232 1.00 . A A . 60 TYR O 1 1 15 6093 1 1 3 TYR OH O 8.801 2.056 5.613 1.00 . A A . 60 TYR OH 1 1 15 6094 1 1 4 VAL C C 1.814 -4.506 1.345 1.00 . A A . 61 VAL C 1 1 15 6095 1 1 4 VAL CA C 3.223 -4.656 0.790 1.00 . A A . 61 VAL CA 1 1 15 6096 1 1 4 VAL CB C 3.614 -6.147 0.798 1.00 . A A . 61 VAL CB 1 1 15 6097 1 1 4 VAL CG1 C 2.584 -6.982 0.059 1.00 . A A . 61 VAL CG1 1 1 15 6098 1 1 4 VAL CG2 C 4.994 -6.335 0.192 1.00 . A A . 61 VAL CG2 1 1 15 6099 1 1 4 VAL H H 4.185 -3.986 2.535 1.00 . A A . 61 VAL H 1 1 15 6100 1 1 4 VAL HA H 3.243 -4.303 -0.232 1.00 . A A . 61 VAL HA 1 1 15 6101 1 1 4 VAL HB H 3.646 -6.481 1.823 1.00 . A A . 61 VAL HB 1 1 15 6102 1 1 4 VAL HG11 H 1.614 -6.830 0.507 1.00 . A A . 61 VAL HG11 1 1 15 6103 1 1 4 VAL HG12 H 2.853 -8.025 0.126 1.00 . A A . 61 VAL HG12 1 1 15 6104 1 1 4 VAL HG13 H 2.554 -6.683 -0.977 1.00 . A A . 61 VAL HG13 1 1 15 6105 1 1 4 VAL HG21 H 5.234 -7.387 0.159 1.00 . A A . 61 VAL HG21 1 1 15 6106 1 1 4 VAL HG22 H 5.725 -5.815 0.793 1.00 . A A . 61 VAL HG22 1 1 15 6107 1 1 4 VAL HG23 H 4.999 -5.931 -0.810 1.00 . A A . 61 VAL HG23 1 1 15 6108 1 1 4 VAL N N 4.165 -3.873 1.558 1.00 . A A . 61 VAL N 1 1 15 6109 1 1 4 VAL O O 1.600 -4.568 2.559 1.00 . A A . 61 VAL O 1 1 15 6110 1 1 5 CYS C C -0.979 -5.691 1.154 1.00 . A A . 62 CYS C 1 1 15 6111 1 1 5 CYS CA C -0.540 -4.279 0.823 1.00 . A A . 62 CYS CA 1 1 15 6112 1 1 5 CYS CB C -1.400 -3.737 -0.323 1.00 . A A . 62 CYS CB 1 1 15 6113 1 1 5 CYS H H 1.117 -4.181 -0.495 1.00 . A A . 62 CYS H 1 1 15 6114 1 1 5 CYS HA H -0.655 -3.651 1.693 1.00 . A A . 62 CYS HA 1 1 15 6115 1 1 5 CYS HB2 H -1.095 -2.739 -0.552 1.00 . A A . 62 CYS HB2 1 1 15 6116 1 1 5 CYS HB3 H -1.256 -4.360 -1.188 1.00 . A A . 62 CYS HB3 1 1 15 6117 1 1 5 CYS N N 0.863 -4.303 0.449 1.00 . A A . 62 CYS N 1 1 15 6118 1 1 5 CYS O O -1.357 -6.443 0.265 1.00 . A A . 62 CYS O 1 1 15 6119 1 1 5 CYS SG S -3.172 -3.668 0.006 1.00 . A A . 62 CYS SG 1 1 15 6120 1 1 6 GLU C C -2.773 -7.645 2.492 1.00 . A A . 63 GLU C 1 1 15 6121 1 1 6 GLU CA C -1.324 -7.369 2.886 1.00 . A A . 63 GLU CA 1 1 15 6122 1 1 6 GLU CB C -1.161 -7.452 4.403 1.00 . A A . 63 GLU CB 1 1 15 6123 1 1 6 GLU CD C -1.521 -6.236 6.584 1.00 . A A . 63 GLU CD 1 1 15 6124 1 1 6 GLU CG C -1.938 -6.376 5.141 1.00 . A A . 63 GLU CG 1 1 15 6125 1 1 6 GLU H H -0.568 -5.403 3.082 1.00 . A A . 63 GLU H 1 1 15 6126 1 1 6 GLU HA H -0.686 -8.102 2.419 1.00 . A A . 63 GLU HA 1 1 15 6127 1 1 6 GLU HB2 H -1.506 -8.418 4.742 1.00 . A A . 63 GLU HB2 1 1 15 6128 1 1 6 GLU HB3 H -0.114 -7.344 4.651 1.00 . A A . 63 GLU HB3 1 1 15 6129 1 1 6 GLU HG2 H -1.779 -5.431 4.643 1.00 . A A . 63 GLU HG2 1 1 15 6130 1 1 6 GLU HG3 H -2.989 -6.625 5.107 1.00 . A A . 63 GLU HG3 1 1 15 6131 1 1 6 GLU N N -0.913 -6.045 2.427 1.00 . A A . 63 GLU N 1 1 15 6132 1 1 6 GLU O O -3.211 -8.795 2.445 1.00 . A A . 63 GLU O 1 1 15 6133 1 1 6 GLU OE1 O -0.493 -5.578 6.842 1.00 . A A . 63 GLU OE1 1 1 15 6134 1 1 6 GLU OE2 O -2.228 -6.761 7.470 1.00 . A A . 63 GLU OE2 1 1 15 6135 1 1 7 ARG C C -5.087 -7.206 0.408 1.00 . A A . 64 ARG C 1 1 15 6136 1 1 7 ARG CA C -4.892 -6.671 1.831 1.00 . A A . 64 ARG CA 1 1 15 6137 1 1 7 ARG CB C -5.556 -5.313 1.994 1.00 . A A . 64 ARG CB 1 1 15 6138 1 1 7 ARG CD C -6.397 -3.610 3.631 1.00 . A A . 64 ARG CD 1 1 15 6139 1 1 7 ARG CG C -5.441 -4.764 3.402 1.00 . A A . 64 ARG CG 1 1 15 6140 1 1 7 ARG CZ C -8.840 -3.382 3.934 1.00 . A A . 64 ARG CZ 1 1 15 6141 1 1 7 ARG H H -3.089 -5.692 2.254 1.00 . A A . 64 ARG H 1 1 15 6142 1 1 7 ARG HA H -5.358 -7.362 2.517 1.00 . A A . 64 ARG HA 1 1 15 6143 1 1 7 ARG HB2 H -5.090 -4.611 1.321 1.00 . A A . 64 ARG HB2 1 1 15 6144 1 1 7 ARG HB3 H -6.600 -5.401 1.747 1.00 . A A . 64 ARG HB3 1 1 15 6145 1 1 7 ARG HD2 H -6.284 -3.264 4.647 1.00 . A A . 64 ARG HD2 1 1 15 6146 1 1 7 ARG HD3 H -6.149 -2.812 2.944 1.00 . A A . 64 ARG HD3 1 1 15 6147 1 1 7 ARG HE H -7.948 -4.788 2.828 1.00 . A A . 64 ARG HE 1 1 15 6148 1 1 7 ARG HG2 H -5.664 -5.552 4.104 1.00 . A A . 64 ARG HG2 1 1 15 6149 1 1 7 ARG HG3 H -4.430 -4.418 3.560 1.00 . A A . 64 ARG HG3 1 1 15 6150 1 1 7 ARG HH11 H -7.751 -2.059 5.028 1.00 . A A . 64 ARG HH11 1 1 15 6151 1 1 7 ARG HH12 H -9.481 -1.885 5.148 1.00 . A A . 64 ARG HH12 1 1 15 6152 1 1 7 ARG HH21 H -10.197 -4.585 3.025 1.00 . A A . 64 ARG HH21 1 1 15 6153 1 1 7 ARG HH22 H -10.866 -3.320 4.010 1.00 . A A . 64 ARG HH22 1 1 15 6154 1 1 7 ARG N N -3.502 -6.577 2.200 1.00 . A A . 64 ARG N 1 1 15 6155 1 1 7 ARG NE N -7.789 -4.009 3.413 1.00 . A A . 64 ARG NE 1 1 15 6156 1 1 7 ARG NH1 N -8.675 -2.365 4.770 1.00 . A A . 64 ARG NH1 1 1 15 6157 1 1 7 ARG NH2 N -10.062 -3.798 3.636 1.00 . A A . 64 ARG NH2 1 1 15 6158 1 1 7 ARG O O -5.947 -8.059 0.201 1.00 . A A . 64 ARG O 1 1 15 6159 1 1 8 CYS C C -3.264 -7.862 -2.553 1.00 . A A . 65 CYS C 1 1 15 6160 1 1 8 CYS CA C -4.536 -7.264 -1.945 1.00 . A A . 65 CYS CA 1 1 15 6161 1 1 8 CYS CB C -5.135 -6.209 -2.878 1.00 . A A . 65 CYS CB 1 1 15 6162 1 1 8 CYS H H -3.624 -6.038 -0.420 1.00 . A A . 65 CYS H 1 1 15 6163 1 1 8 CYS HA H -5.256 -8.066 -1.847 1.00 . A A . 65 CYS HA 1 1 15 6164 1 1 8 CYS HB2 H -5.465 -6.695 -3.790 1.00 . A A . 65 CYS HB2 1 1 15 6165 1 1 8 CYS HB3 H -5.985 -5.754 -2.389 1.00 . A A . 65 CYS HB3 1 1 15 6166 1 1 8 CYS N N -4.321 -6.732 -0.589 1.00 . A A . 65 CYS N 1 1 15 6167 1 1 8 CYS O O -3.333 -8.630 -3.514 1.00 . A A . 65 CYS O 1 1 15 6168 1 1 8 CYS SG S -4.005 -4.890 -3.352 1.00 . A A . 65 CYS SG 1 1 15 6169 1 1 9 GLY C C -0.027 -7.178 -3.309 1.00 . A A . 66 GLY C 1 1 15 6170 1 1 9 GLY CA C -0.868 -8.111 -2.458 1.00 . A A . 66 GLY CA 1 1 15 6171 1 1 9 GLY H H -2.100 -6.890 -1.247 1.00 . A A . 66 GLY H 1 1 15 6172 1 1 9 GLY HA2 H -0.284 -8.403 -1.594 1.00 . A A . 66 GLY HA2 1 1 15 6173 1 1 9 GLY HA3 H -1.099 -8.996 -3.038 1.00 . A A . 66 GLY HA3 1 1 15 6174 1 1 9 GLY N N -2.111 -7.523 -1.996 1.00 . A A . 66 GLY N 1 1 15 6175 1 1 9 GLY O O 1.032 -7.572 -3.798 1.00 . A A . 66 GLY O 1 1 15 6176 1 1 10 LYS C C 1.336 -4.307 -3.430 1.00 . A A . 67 LYS C 1 1 15 6177 1 1 10 LYS CA C 0.292 -4.991 -4.296 1.00 . A A . 67 LYS CA 1 1 15 6178 1 1 10 LYS CB C -0.596 -3.952 -4.974 1.00 . A A . 67 LYS CB 1 1 15 6179 1 1 10 LYS CD C -1.143 -5.650 -6.765 1.00 . A A . 67 LYS CD 1 1 15 6180 1 1 10 LYS CE C -0.156 -5.127 -7.797 1.00 . A A . 67 LYS CE 1 1 15 6181 1 1 10 LYS CG C -1.676 -4.552 -5.856 1.00 . A A . 67 LYS CG 1 1 15 6182 1 1 10 LYS H H -1.347 -5.683 -3.128 1.00 . A A . 67 LYS H 1 1 15 6183 1 1 10 LYS HA H 0.807 -5.554 -5.060 1.00 . A A . 67 LYS HA 1 1 15 6184 1 1 10 LYS HB2 H -1.074 -3.353 -4.214 1.00 . A A . 67 LYS HB2 1 1 15 6185 1 1 10 LYS HB3 H 0.022 -3.313 -5.587 1.00 . A A . 67 LYS HB3 1 1 15 6186 1 1 10 LYS HD2 H -0.647 -6.393 -6.158 1.00 . A A . 67 LYS HD2 1 1 15 6187 1 1 10 LYS HD3 H -1.975 -6.107 -7.280 1.00 . A A . 67 LYS HD3 1 1 15 6188 1 1 10 LYS HE2 H -0.671 -4.442 -8.455 1.00 . A A . 67 LYS HE2 1 1 15 6189 1 1 10 LYS HE3 H 0.641 -4.608 -7.287 1.00 . A A . 67 LYS HE3 1 1 15 6190 1 1 10 LYS HG2 H -2.441 -4.969 -5.223 1.00 . A A . 67 LYS HG2 1 1 15 6191 1 1 10 LYS HG3 H -2.097 -3.767 -6.464 1.00 . A A . 67 LYS HG3 1 1 15 6192 1 1 10 LYS HZ1 H -0.326 -6.684 -9.178 1.00 . A A . 67 LYS HZ1 1 1 15 6193 1 1 10 LYS HZ2 H 0.846 -6.952 -7.977 1.00 . A A . 67 LYS HZ2 1 1 15 6194 1 1 10 LYS HZ3 H 1.164 -5.870 -9.240 1.00 . A A . 67 LYS HZ3 1 1 15 6195 1 1 10 LYS N N -0.483 -5.947 -3.506 1.00 . A A . 67 LYS N 1 1 15 6196 1 1 10 LYS NZ N 0.422 -6.233 -8.606 1.00 . A A . 67 LYS NZ 1 1 15 6197 1 1 10 LYS O O 1.076 -3.950 -2.278 1.00 . A A . 67 LYS O 1 1 15 6198 1 1 11 ARG C C 4.076 -2.254 -3.590 1.00 . A A . 68 ARG C 1 1 15 6199 1 1 11 ARG CA C 3.670 -3.678 -3.261 1.00 . A A . 68 ARG CA 1 1 15 6200 1 1 11 ARG CB C 4.817 -4.619 -3.551 1.00 . A A . 68 ARG CB 1 1 15 6201 1 1 11 ARG CD C 5.592 -6.998 -3.468 1.00 . A A . 68 ARG CD 1 1 15 6202 1 1 11 ARG CG C 4.472 -6.024 -3.166 1.00 . A A . 68 ARG CG 1 1 15 6203 1 1 11 ARG CZ C 4.825 -9.311 -3.844 1.00 . A A . 68 ARG CZ 1 1 15 6204 1 1 11 ARG H H 2.624 -4.378 -4.940 1.00 . A A . 68 ARG H 1 1 15 6205 1 1 11 ARG HA H 3.438 -3.737 -2.209 1.00 . A A . 68 ARG HA 1 1 15 6206 1 1 11 ARG HB2 H 5.042 -4.594 -4.609 1.00 . A A . 68 ARG HB2 1 1 15 6207 1 1 11 ARG HB3 H 5.677 -4.311 -2.991 1.00 . A A . 68 ARG HB3 1 1 15 6208 1 1 11 ARG HD2 H 5.766 -7.009 -4.534 1.00 . A A . 68 ARG HD2 1 1 15 6209 1 1 11 ARG HD3 H 6.481 -6.669 -2.961 1.00 . A A . 68 ARG HD3 1 1 15 6210 1 1 11 ARG HE H 5.340 -8.548 -2.063 1.00 . A A . 68 ARG HE 1 1 15 6211 1 1 11 ARG HG2 H 4.266 -6.029 -2.108 1.00 . A A . 68 ARG HG2 1 1 15 6212 1 1 11 ARG HG3 H 3.589 -6.320 -3.711 1.00 . A A . 68 ARG HG3 1 1 15 6213 1 1 11 ARG HH11 H 5.022 -8.219 -5.543 1.00 . A A . 68 ARG HH11 1 1 15 6214 1 1 11 ARG HH12 H 4.394 -9.828 -5.758 1.00 . A A . 68 ARG HH12 1 1 15 6215 1 1 11 ARG HH21 H 4.564 -10.663 -2.359 1.00 . A A . 68 ARG HH21 1 1 15 6216 1 1 11 ARG HH22 H 4.160 -11.217 -3.955 1.00 . A A . 68 ARG HH22 1 1 15 6217 1 1 11 ARG N N 2.514 -4.141 -3.997 1.00 . A A . 68 ARG N 1 1 15 6218 1 1 11 ARG NE N 5.259 -8.350 -3.029 1.00 . A A . 68 ARG NE 1 1 15 6219 1 1 11 ARG NH1 N 4.747 -9.101 -5.152 1.00 . A A . 68 ARG NH1 1 1 15 6220 1 1 11 ARG NH2 N 4.493 -10.493 -3.348 1.00 . A A . 68 ARG NH2 1 1 15 6221 1 1 11 ARG O O 3.766 -1.722 -4.657 1.00 . A A . 68 ARG O 1 1 15 6222 1 1 12 PHE C C 6.659 -0.252 -2.051 1.00 . A A . 69 PHE C 1 1 15 6223 1 1 12 PHE CA C 5.320 -0.324 -2.755 1.00 . A A . 69 PHE CA 1 1 15 6224 1 1 12 PHE CB C 4.342 0.689 -2.150 1.00 . A A . 69 PHE CB 1 1 15 6225 1 1 12 PHE CD1 C 3.425 2.085 -4.020 1.00 . A A . 69 PHE CD1 1 1 15 6226 1 1 12 PHE CD2 C 2.009 0.438 -3.041 1.00 . A A . 69 PHE CD2 1 1 15 6227 1 1 12 PHE CE1 C 2.405 2.453 -4.876 1.00 . A A . 69 PHE CE1 1 1 15 6228 1 1 12 PHE CE2 C 0.987 0.800 -3.896 1.00 . A A . 69 PHE CE2 1 1 15 6229 1 1 12 PHE CG C 3.239 1.075 -3.094 1.00 . A A . 69 PHE CG 1 1 15 6230 1 1 12 PHE CZ C 1.215 1.772 -4.865 1.00 . A A . 69 PHE CZ 1 1 15 6231 1 1 12 PHE H H 5.005 -2.182 -1.833 1.00 . A A . 69 PHE H 1 1 15 6232 1 1 12 PHE HA H 5.469 -0.090 -3.796 1.00 . A A . 69 PHE HA 1 1 15 6233 1 1 12 PHE HB2 H 3.886 0.258 -1.267 1.00 . A A . 69 PHE HB2 1 1 15 6234 1 1 12 PHE HB3 H 4.881 1.586 -1.876 1.00 . A A . 69 PHE HB3 1 1 15 6235 1 1 12 PHE HD1 H 4.379 2.589 -4.070 1.00 . A A . 69 PHE HD1 1 1 15 6236 1 1 12 PHE HD2 H 1.854 -0.355 -2.326 1.00 . A A . 69 PHE HD2 1 1 15 6237 1 1 12 PHE HE1 H 2.562 3.243 -5.594 1.00 . A A . 69 PHE HE1 1 1 15 6238 1 1 12 PHE HE2 H 0.034 0.295 -3.845 1.00 . A A . 69 PHE HE2 1 1 15 6239 1 1 12 PHE HZ H 0.428 2.042 -5.554 1.00 . A A . 69 PHE HZ 1 1 15 6240 1 1 12 PHE N N 4.798 -1.670 -2.650 1.00 . A A . 69 PHE N 1 1 15 6241 1 1 12 PHE O O 7.069 -1.184 -1.355 1.00 . A A . 69 PHE O 1 1 15 6242 1 1 13 VAL C C 8.499 2.261 -0.724 1.00 . A A . 70 VAL C 1 1 15 6243 1 1 13 VAL CA C 8.630 1.082 -1.668 1.00 . A A . 70 VAL CA 1 1 15 6244 1 1 13 VAL CB C 9.679 1.355 -2.773 1.00 . A A . 70 VAL CB 1 1 15 6245 1 1 13 VAL CG1 C 10.700 2.386 -2.337 1.00 . A A . 70 VAL CG1 1 1 15 6246 1 1 13 VAL CG2 C 10.362 0.059 -3.184 1.00 . A A . 70 VAL CG2 1 1 15 6247 1 1 13 VAL H H 6.968 1.533 -2.853 1.00 . A A . 70 VAL H 1 1 15 6248 1 1 13 VAL HA H 8.923 0.202 -1.113 1.00 . A A . 70 VAL HA 1 1 15 6249 1 1 13 VAL HB H 9.158 1.747 -3.635 1.00 . A A . 70 VAL HB 1 1 15 6250 1 1 13 VAL HG11 H 10.195 3.328 -2.174 1.00 . A A . 70 VAL HG11 1 1 15 6251 1 1 13 VAL HG12 H 11.450 2.503 -3.105 1.00 . A A . 70 VAL HG12 1 1 15 6252 1 1 13 VAL HG13 H 11.166 2.066 -1.418 1.00 . A A . 70 VAL HG13 1 1 15 6253 1 1 13 VAL HG21 H 11.094 0.263 -3.951 1.00 . A A . 70 VAL HG21 1 1 15 6254 1 1 13 VAL HG22 H 9.624 -0.631 -3.566 1.00 . A A . 70 VAL HG22 1 1 15 6255 1 1 13 VAL HG23 H 10.850 -0.378 -2.326 1.00 . A A . 70 VAL HG23 1 1 15 6256 1 1 13 VAL N N 7.345 0.842 -2.267 1.00 . A A . 70 VAL N 1 1 15 6257 1 1 13 VAL O O 9.242 2.402 0.250 1.00 . A A . 70 VAL O 1 1 15 6258 1 1 14 GLN C C 6.197 3.923 0.828 1.00 . A A . 71 GLN C 1 1 15 6259 1 1 14 GLN CA C 7.236 4.249 -0.227 1.00 . A A . 71 GLN CA 1 1 15 6260 1 1 14 GLN CB C 6.716 5.297 -1.183 1.00 . A A . 71 GLN CB 1 1 15 6261 1 1 14 GLN CD C 8.946 6.199 -1.986 1.00 . A A . 71 GLN CD 1 1 15 6262 1 1 14 GLN CG C 7.643 5.519 -2.363 1.00 . A A . 71 GLN CG 1 1 15 6263 1 1 14 GLN H H 6.939 2.923 -1.793 1.00 . A A . 71 GLN H 1 1 15 6264 1 1 14 GLN HA H 8.146 4.592 0.236 1.00 . A A . 71 GLN HA 1 1 15 6265 1 1 14 GLN HB2 H 5.752 4.975 -1.562 1.00 . A A . 71 GLN HB2 1 1 15 6266 1 1 14 GLN HB3 H 6.600 6.220 -0.660 1.00 . A A . 71 GLN HB3 1 1 15 6267 1 1 14 GLN HE21 H 9.862 5.341 -3.527 1.00 . A A . 71 GLN HE21 1 1 15 6268 1 1 14 GLN HE22 H 10.848 6.380 -2.543 1.00 . A A . 71 GLN HE22 1 1 15 6269 1 1 14 GLN HG2 H 7.881 4.557 -2.795 1.00 . A A . 71 GLN HG2 1 1 15 6270 1 1 14 GLN HG3 H 7.134 6.111 -3.092 1.00 . A A . 71 GLN HG3 1 1 15 6271 1 1 14 GLN N N 7.509 3.089 -1.009 1.00 . A A . 71 GLN N 1 1 15 6272 1 1 14 GLN NE2 N 9.987 5.946 -2.761 1.00 . A A . 71 GLN NE2 1 1 15 6273 1 1 14 GLN O O 5.136 3.375 0.520 1.00 . A A . 71 GLN O 1 1 15 6274 1 1 14 GLN OE1 O 9.014 6.958 -1.015 1.00 . A A . 71 GLN OE1 1 1 15 6275 1 1 15 SER C C 4.329 4.893 2.895 1.00 . A A . 72 SER C 1 1 15 6276 1 1 15 SER CA C 5.582 4.079 3.171 1.00 . A A . 72 SER CA 1 1 15 6277 1 1 15 SER CB C 6.231 4.521 4.492 1.00 . A A . 72 SER CB 1 1 15 6278 1 1 15 SER H H 7.398 4.639 2.248 1.00 . A A . 72 SER H 1 1 15 6279 1 1 15 SER HA H 5.322 3.033 3.229 1.00 . A A . 72 SER HA 1 1 15 6280 1 1 15 SER HB2 H 7.126 3.942 4.663 1.00 . A A . 72 SER HB2 1 1 15 6281 1 1 15 SER HB3 H 6.490 5.567 4.429 1.00 . A A . 72 SER HB3 1 1 15 6282 1 1 15 SER HG H 5.761 3.721 6.226 1.00 . A A . 72 SER HG 1 1 15 6283 1 1 15 SER N N 6.513 4.256 2.070 1.00 . A A . 72 SER N 1 1 15 6284 1 1 15 SER O O 3.205 4.427 3.088 1.00 . A A . 72 SER O 1 1 15 6285 1 1 15 SER OG O 5.355 4.334 5.593 1.00 . A A . 72 SER OG 1 1 15 6286 1 1 16 SER C C 2.556 6.351 0.986 1.00 . A A . 73 SER C 1 1 15 6287 1 1 16 SER CA C 3.457 6.992 2.041 1.00 . A A . 73 SER CA 1 1 15 6288 1 1 16 SER CB C 4.016 8.325 1.532 1.00 . A A . 73 SER CB 1 1 15 6289 1 1 16 SER H H 5.470 6.402 2.244 1.00 . A A . 73 SER H 1 1 15 6290 1 1 16 SER HA H 2.877 7.171 2.933 1.00 . A A . 73 SER HA 1 1 15 6291 1 1 16 SER HB2 H 4.687 8.736 2.271 1.00 . A A . 73 SER HB2 1 1 15 6292 1 1 16 SER HB3 H 4.552 8.159 0.611 1.00 . A A . 73 SER HB3 1 1 15 6293 1 1 16 SER HG H 3.220 10.112 1.701 1.00 . A A . 73 SER HG 1 1 15 6294 1 1 16 SER N N 4.543 6.101 2.388 1.00 . A A . 73 SER N 1 1 15 6295 1 1 16 SER O O 1.339 6.317 1.144 1.00 . A A . 73 SER O 1 1 15 6296 1 1 16 SER OG O 2.981 9.261 1.295 1.00 . A A . 73 SER OG 1 1 15 6297 1 1 17 GLN C C 1.678 4.001 -0.791 1.00 . A A . 74 GLN C 1 1 15 6298 1 1 17 GLN CA C 2.406 5.270 -1.180 1.00 . A A . 74 GLN CA 1 1 15 6299 1 1 17 GLN CB C 3.321 5.016 -2.377 1.00 . A A . 74 GLN CB 1 1 15 6300 1 1 17 GLN CD C 4.566 6.024 -4.326 1.00 . A A . 74 GLN CD 1 1 15 6301 1 1 17 GLN CG C 3.832 6.288 -3.027 1.00 . A A . 74 GLN CG 1 1 15 6302 1 1 17 GLN H H 4.131 5.655 -0.040 1.00 . A A . 74 GLN H 1 1 15 6303 1 1 17 GLN HA H 1.678 6.019 -1.450 1.00 . A A . 74 GLN HA 1 1 15 6304 1 1 17 GLN HB2 H 4.174 4.437 -2.049 1.00 . A A . 74 GLN HB2 1 1 15 6305 1 1 17 GLN HB3 H 2.775 4.453 -3.119 1.00 . A A . 74 GLN HB3 1 1 15 6306 1 1 17 GLN HE21 H 4.014 7.794 -5.038 1.00 . A A . 74 GLN HE21 1 1 15 6307 1 1 17 GLN HE22 H 4.993 6.830 -6.087 1.00 . A A . 74 GLN HE22 1 1 15 6308 1 1 17 GLN HG2 H 2.993 6.937 -3.230 1.00 . A A . 74 GLN HG2 1 1 15 6309 1 1 17 GLN HG3 H 4.508 6.779 -2.342 1.00 . A A . 74 GLN HG3 1 1 15 6310 1 1 17 GLN N N 3.163 5.779 -0.054 1.00 . A A . 74 GLN N 1 1 15 6311 1 1 17 GLN NE2 N 4.518 6.977 -5.243 1.00 . A A . 74 GLN NE2 1 1 15 6312 1 1 17 GLN O O 0.584 3.733 -1.285 1.00 . A A . 74 GLN O 1 1 15 6313 1 1 17 GLN OE1 O 5.172 4.970 -4.506 1.00 . A A . 74 GLN OE1 1 1 15 6314 1 1 18 LEU C C 0.393 2.424 1.399 1.00 . A A . 75 LEU C 1 1 15 6315 1 1 18 LEU CA C 1.648 2.044 0.642 1.00 . A A . 75 LEU CA 1 1 15 6316 1 1 18 LEU CB C 2.601 1.295 1.578 1.00 . A A . 75 LEU CB 1 1 15 6317 1 1 18 LEU CD1 C 1.399 -0.859 1.491 1.00 . A A . 75 LEU CD1 1 1 15 6318 1 1 18 LEU CD2 C 2.877 -0.378 3.432 1.00 . A A . 75 LEU CD2 1 1 15 6319 1 1 18 LEU CG C 1.926 0.209 2.407 1.00 . A A . 75 LEU CG 1 1 15 6320 1 1 18 LEU H H 3.190 3.467 0.410 1.00 . A A . 75 LEU H 1 1 15 6321 1 1 18 LEU HA H 1.369 1.410 -0.185 1.00 . A A . 75 LEU HA 1 1 15 6322 1 1 18 LEU HB2 H 3.381 0.835 0.978 1.00 . A A . 75 LEU HB2 1 1 15 6323 1 1 18 LEU HB3 H 3.052 2.009 2.255 1.00 . A A . 75 LEU HB3 1 1 15 6324 1 1 18 LEU HD11 H 2.222 -1.299 0.950 1.00 . A A . 75 LEU HD11 1 1 15 6325 1 1 18 LEU HD12 H 0.707 -0.408 0.797 1.00 . A A . 75 LEU HD12 1 1 15 6326 1 1 18 LEU HD13 H 0.894 -1.615 2.071 1.00 . A A . 75 LEU HD13 1 1 15 6327 1 1 18 LEU HD21 H 3.193 0.399 4.113 1.00 . A A . 75 LEU HD21 1 1 15 6328 1 1 18 LEU HD22 H 3.739 -0.790 2.927 1.00 . A A . 75 LEU HD22 1 1 15 6329 1 1 18 LEU HD23 H 2.375 -1.158 3.983 1.00 . A A . 75 LEU HD23 1 1 15 6330 1 1 18 LEU HG H 1.086 0.639 2.933 1.00 . A A . 75 LEU HG 1 1 15 6331 1 1 18 LEU N N 2.285 3.230 0.106 1.00 . A A . 75 LEU N 1 1 15 6332 1 1 18 LEU O O -0.700 1.946 1.099 1.00 . A A . 75 LEU O 1 1 15 6333 1 1 19 ALA C C -1.551 4.463 2.232 1.00 . A A . 76 ALA C 1 1 15 6334 1 1 19 ALA CA C -0.556 3.787 3.152 1.00 . A A . 76 ALA CA 1 1 15 6335 1 1 19 ALA CB C -0.086 4.743 4.238 1.00 . A A . 76 ALA CB 1 1 15 6336 1 1 19 ALA H H 1.480 3.537 2.630 1.00 . A A . 76 ALA H 1 1 15 6337 1 1 19 ALA HA H -1.051 2.945 3.623 1.00 . A A . 76 ALA HA 1 1 15 6338 1 1 19 ALA HB1 H -0.938 5.085 4.808 1.00 . A A . 76 ALA HB1 1 1 15 6339 1 1 19 ALA HB2 H 0.407 5.591 3.783 1.00 . A A . 76 ALA HB2 1 1 15 6340 1 1 19 ALA HB3 H 0.606 4.235 4.892 1.00 . A A . 76 ALA HB3 1 1 15 6341 1 1 19 ALA N N 0.567 3.276 2.388 1.00 . A A . 76 ALA N 1 1 15 6342 1 1 19 ALA O O -2.751 4.318 2.414 1.00 . A A . 76 ALA O 1 1 15 6343 1 1 20 ASN C C -2.767 4.706 -0.442 1.00 . A A . 77 ASN C 1 1 15 6344 1 1 20 ASN CA C -1.944 5.789 0.241 1.00 . A A . 77 ASN CA 1 1 15 6345 1 1 20 ASN CB C -1.146 6.583 -0.799 1.00 . A A . 77 ASN CB 1 1 15 6346 1 1 20 ASN CG C -2.031 7.177 -1.879 1.00 . A A . 77 ASN CG 1 1 15 6347 1 1 20 ASN H H -0.073 5.304 1.143 1.00 . A A . 77 ASN H 1 1 15 6348 1 1 20 ASN HA H -2.611 6.457 0.763 1.00 . A A . 77 ASN HA 1 1 15 6349 1 1 20 ASN HB2 H -0.624 7.389 -0.304 1.00 . A A . 77 ASN HB2 1 1 15 6350 1 1 20 ASN HB3 H -0.426 5.928 -1.269 1.00 . A A . 77 ASN HB3 1 1 15 6351 1 1 20 ASN HD21 H -2.228 8.856 -0.829 1.00 . A A . 77 ASN HD21 1 1 15 6352 1 1 20 ASN HD22 H -3.077 8.805 -2.351 1.00 . A A . 77 ASN HD22 1 1 15 6353 1 1 20 ASN N N -1.056 5.179 1.225 1.00 . A A . 77 ASN N 1 1 15 6354 1 1 20 ASN ND2 N -2.488 8.401 -1.666 1.00 . A A . 77 ASN ND2 1 1 15 6355 1 1 20 ASN O O -3.987 4.821 -0.575 1.00 . A A . 77 ASN O 1 1 15 6356 1 1 20 ASN OD1 O -2.290 6.543 -2.906 1.00 . A A . 77 ASN OD1 1 1 15 6357 1 1 21 HIS C C -3.803 1.872 -0.660 1.00 . A A . 78 HIS C 1 1 15 6358 1 1 21 HIS CA C -2.709 2.515 -1.512 1.00 . A A . 78 HIS CA 1 1 15 6359 1 1 21 HIS CB C -1.612 1.503 -1.850 1.00 . A A . 78 HIS CB 1 1 15 6360 1 1 21 HIS CD2 C -2.431 -0.924 -1.835 1.00 . A A . 78 HIS CD2 1 1 15 6361 1 1 21 HIS CE1 C -2.590 -1.270 -3.962 1.00 . A A . 78 HIS CE1 1 1 15 6362 1 1 21 HIS CG C -2.084 0.224 -2.447 1.00 . A A . 78 HIS CG 1 1 15 6363 1 1 21 HIS H H -1.119 3.575 -0.613 1.00 . A A . 78 HIS H 1 1 15 6364 1 1 21 HIS HA H -3.144 2.885 -2.428 1.00 . A A . 78 HIS HA 1 1 15 6365 1 1 21 HIS HB2 H -0.929 1.950 -2.550 1.00 . A A . 78 HIS HB2 1 1 15 6366 1 1 21 HIS HB3 H -1.074 1.261 -0.940 1.00 . A A . 78 HIS HB3 1 1 15 6367 1 1 21 HIS HD1 H -2.021 0.646 -4.514 1.00 . A A . 78 HIS HD1 1 1 15 6368 1 1 21 HIS HD2 H -2.452 -1.081 -0.770 1.00 . A A . 78 HIS HD2 1 1 15 6369 1 1 21 HIS HE1 H -2.757 -1.738 -4.922 1.00 . A A . 78 HIS HE1 1 1 15 6370 1 1 21 HIS N N -2.089 3.630 -0.821 1.00 . A A . 78 HIS N 1 1 15 6371 1 1 21 HIS ND1 N -2.193 -0.009 -3.796 1.00 . A A . 78 HIS ND1 1 1 15 6372 1 1 21 HIS NE2 N -2.752 -1.878 -2.792 1.00 . A A . 78 HIS NE2 1 1 15 6373 1 1 21 HIS O O -4.909 1.609 -1.136 1.00 . A A . 78 HIS O 1 1 15 6374 1 1 22 ILE C C -5.456 1.864 2.065 1.00 . A A . 79 ILE C 1 1 15 6375 1 1 22 ILE CA C -4.384 0.931 1.500 1.00 . A A . 79 ILE CA 1 1 15 6376 1 1 22 ILE CB C -3.571 0.262 2.612 1.00 . A A . 79 ILE CB 1 1 15 6377 1 1 22 ILE CD1 C -1.782 -1.513 2.938 1.00 . A A . 79 ILE CD1 1 1 15 6378 1 1 22 ILE CG1 C -2.632 -0.752 1.963 1.00 . A A . 79 ILE CG1 1 1 15 6379 1 1 22 ILE CG2 C -4.474 -0.409 3.633 1.00 . A A . 79 ILE CG2 1 1 15 6380 1 1 22 ILE H H -2.609 1.914 0.939 1.00 . A A . 79 ILE H 1 1 15 6381 1 1 22 ILE HA H -4.871 0.145 0.937 1.00 . A A . 79 ILE HA 1 1 15 6382 1 1 22 ILE HB H -2.986 1.015 3.115 1.00 . A A . 79 ILE HB 1 1 15 6383 1 1 22 ILE HD11 H -1.131 -0.823 3.457 1.00 . A A . 79 ILE HD11 1 1 15 6384 1 1 22 ILE HD12 H -1.193 -2.245 2.398 1.00 . A A . 79 ILE HD12 1 1 15 6385 1 1 22 ILE HD13 H -2.422 -2.015 3.649 1.00 . A A . 79 ILE HD13 1 1 15 6386 1 1 22 ILE HG12 H -3.222 -1.472 1.411 1.00 . A A . 79 ILE HG12 1 1 15 6387 1 1 22 ILE HG13 H -1.972 -0.232 1.280 1.00 . A A . 79 ILE HG13 1 1 15 6388 1 1 22 ILE HG21 H -3.871 -0.854 4.408 1.00 . A A . 79 ILE HG21 1 1 15 6389 1 1 22 ILE HG22 H -5.061 -1.172 3.147 1.00 . A A . 79 ILE HG22 1 1 15 6390 1 1 22 ILE HG23 H -5.132 0.330 4.066 1.00 . A A . 79 ILE HG23 1 1 15 6391 1 1 22 ILE N N -3.486 1.626 0.600 1.00 . A A . 79 ILE N 1 1 15 6392 1 1 22 ILE O O -6.532 1.416 2.464 1.00 . A A . 79 ILE O 1 1 15 6393 1 1 23 ARG C C -7.268 4.242 1.332 1.00 . A A . 80 ARG C 1 1 15 6394 1 1 23 ARG CA C -6.200 4.138 2.423 1.00 . A A . 80 ARG CA 1 1 15 6395 1 1 23 ARG CB C -5.548 5.481 2.665 1.00 . A A . 80 ARG CB 1 1 15 6396 1 1 23 ARG CD C -4.429 6.999 4.309 1.00 . A A . 80 ARG CD 1 1 15 6397 1 1 23 ARG CG C -4.897 5.588 4.029 1.00 . A A . 80 ARG CG 1 1 15 6398 1 1 23 ARG CZ C -2.529 7.640 5.736 1.00 . A A . 80 ARG CZ 1 1 15 6399 1 1 23 ARG H H -4.273 3.486 1.900 1.00 . A A . 80 ARG H 1 1 15 6400 1 1 23 ARG HA H -6.671 3.814 3.340 1.00 . A A . 80 ARG HA 1 1 15 6401 1 1 23 ARG HB2 H -4.788 5.639 1.914 1.00 . A A . 80 ARG HB2 1 1 15 6402 1 1 23 ARG HB3 H -6.287 6.240 2.576 1.00 . A A . 80 ARG HB3 1 1 15 6403 1 1 23 ARG HD2 H -3.757 7.303 3.521 1.00 . A A . 80 ARG HD2 1 1 15 6404 1 1 23 ARG HD3 H -5.287 7.654 4.324 1.00 . A A . 80 ARG HD3 1 1 15 6405 1 1 23 ARG HE H -4.194 6.740 6.385 1.00 . A A . 80 ARG HE 1 1 15 6406 1 1 23 ARG HG2 H -5.611 5.294 4.783 1.00 . A A . 80 ARG HG2 1 1 15 6407 1 1 23 ARG HG3 H -4.046 4.924 4.059 1.00 . A A . 80 ARG HG3 1 1 15 6408 1 1 23 ARG HH11 H -2.310 8.109 3.771 1.00 . A A . 80 ARG HH11 1 1 15 6409 1 1 23 ARG HH12 H -0.970 8.542 4.793 1.00 . A A . 80 ARG HH12 1 1 15 6410 1 1 23 ARG HH21 H -2.444 7.306 7.731 1.00 . A A . 80 ARG HH21 1 1 15 6411 1 1 23 ARG HH22 H -1.048 8.085 7.052 1.00 . A A . 80 ARG HH22 1 1 15 6412 1 1 23 ARG N N -5.185 3.165 2.079 1.00 . A A . 80 ARG N 1 1 15 6413 1 1 23 ARG NE N -3.733 7.101 5.589 1.00 . A A . 80 ARG NE 1 1 15 6414 1 1 23 ARG NH1 N -1.887 8.136 4.684 1.00 . A A . 80 ARG NH1 1 1 15 6415 1 1 23 ARG NH2 N -1.963 7.682 6.936 1.00 . A A . 80 ARG NH2 1 1 15 6416 1 1 23 ARG O O -8.210 5.026 1.443 1.00 . A A . 80 ARG O 1 1 15 6417 1 1 24 HIS C C -8.741 1.945 -0.736 1.00 . A A . 81 HIS C 1 1 15 6418 1 1 24 HIS CA C -8.135 3.343 -0.755 1.00 . A A . 81 HIS CA 1 1 15 6419 1 1 24 HIS CB C -7.563 3.656 -2.142 1.00 . A A . 81 HIS CB 1 1 15 6420 1 1 24 HIS CD2 C -7.894 6.227 -2.181 1.00 . A A . 81 HIS CD2 1 1 15 6421 1 1 24 HIS CE1 C -5.873 6.803 -2.792 1.00 . A A . 81 HIS CE1 1 1 15 6422 1 1 24 HIS CG C -7.174 5.091 -2.324 1.00 . A A . 81 HIS CG 1 1 15 6423 1 1 24 HIS H H -6.287 2.928 0.191 1.00 . A A . 81 HIS H 1 1 15 6424 1 1 24 HIS HA H -8.910 4.061 -0.526 1.00 . A A . 81 HIS HA 1 1 15 6425 1 1 24 HIS HB2 H -6.683 3.051 -2.305 1.00 . A A . 81 HIS HB2 1 1 15 6426 1 1 24 HIS HB3 H -8.304 3.413 -2.889 1.00 . A A . 81 HIS HB3 1 1 15 6427 1 1 24 HIS HD1 H -5.150 4.890 -2.901 1.00 . A A . 81 HIS HD1 1 1 15 6428 1 1 24 HIS HD2 H -8.934 6.295 -1.889 1.00 . A A . 81 HIS HD2 1 1 15 6429 1 1 24 HIS HE1 H -5.013 7.393 -3.074 1.00 . A A . 81 HIS HE1 1 1 15 6430 1 1 24 HIS HE2 H -7.337 8.222 -2.567 1.00 . A A . 81 HIS HE2 1 1 15 6431 1 1 24 HIS N N -7.112 3.453 0.277 1.00 . A A . 81 HIS N 1 1 15 6432 1 1 24 HIS ND1 N -5.912 5.488 -2.708 1.00 . A A . 81 HIS ND1 1 1 15 6433 1 1 24 HIS NE2 N -7.063 7.275 -2.480 1.00 . A A . 81 HIS NE2 1 1 15 6434 1 1 24 HIS O O -9.291 1.477 -1.733 1.00 . A A . 81 HIS O 1 1 15 6435 1 1 25 HIS C C -10.392 -0.063 1.477 1.00 . A A . 82 HIS C 1 1 15 6436 1 1 25 HIS CA C -9.154 -0.071 0.587 1.00 . A A . 82 HIS CA 1 1 15 6437 1 1 25 HIS CB C -8.085 -0.998 1.180 1.00 . A A . 82 HIS CB 1 1 15 6438 1 1 25 HIS CD2 C -6.510 -1.596 -0.777 1.00 . A A . 82 HIS CD2 1 1 15 6439 1 1 25 HIS CE1 C -6.901 -3.714 -0.918 1.00 . A A . 82 HIS CE1 1 1 15 6440 1 1 25 HIS CG C -7.431 -1.884 0.171 1.00 . A A . 82 HIS CG 1 1 15 6441 1 1 25 HIS H H -8.174 1.712 1.165 1.00 . A A . 82 HIS H 1 1 15 6442 1 1 25 HIS HA H -9.432 -0.442 -0.386 1.00 . A A . 82 HIS HA 1 1 15 6443 1 1 25 HIS HB2 H -7.309 -0.399 1.639 1.00 . A A . 82 HIS HB2 1 1 15 6444 1 1 25 HIS HB3 H -8.535 -1.625 1.932 1.00 . A A . 82 HIS HB3 1 1 15 6445 1 1 25 HIS HD1 H -8.301 -3.761 0.616 1.00 . A A . 82 HIS HD1 1 1 15 6446 1 1 25 HIS HD2 H -6.090 -0.623 -0.977 1.00 . A A . 82 HIS HD2 1 1 15 6447 1 1 25 HIS HE1 H -6.877 -4.749 -1.225 1.00 . A A . 82 HIS HE1 1 1 15 6448 1 1 25 HIS N N -8.625 1.278 0.410 1.00 . A A . 82 HIS N 1 1 15 6449 1 1 25 HIS ND1 N -7.670 -3.236 0.068 1.00 . A A . 82 HIS ND1 1 1 15 6450 1 1 25 HIS NE2 N -6.179 -2.760 -1.461 1.00 . A A . 82 HIS NE2 1 1 15 6451 1 1 25 HIS O O -10.386 -0.614 2.578 1.00 . A A . 82 HIS O 1 1 15 6452 1 1 26 ASP C C -13.841 0.329 0.737 1.00 . A A . 83 ASP C 1 1 15 6453 1 1 26 ASP CA C -12.707 0.613 1.708 1.00 . A A . 83 ASP CA 1 1 15 6454 1 1 26 ASP CB C -12.919 1.970 2.377 1.00 . A A . 83 ASP CB 1 1 15 6455 1 1 26 ASP CG C -13.063 3.104 1.382 1.00 . A A . 83 ASP CG 1 1 15 6456 1 1 26 ASP H H -11.370 1.056 0.152 1.00 . A A . 83 ASP H 1 1 15 6457 1 1 26 ASP HA H -12.688 -0.160 2.464 1.00 . A A . 83 ASP HA 1 1 15 6458 1 1 26 ASP HB2 H -13.819 1.926 2.968 1.00 . A A . 83 ASP HB2 1 1 15 6459 1 1 26 ASP HB3 H -12.075 2.183 3.022 1.00 . A A . 83 ASP HB3 1 1 15 6460 1 1 26 ASP N N -11.443 0.578 1.001 1.00 . A A . 83 ASP N 1 1 15 6461 1 1 26 ASP O O -13.655 0.567 -0.476 1.00 . A A . 83 ASP O 1 1 15 6462 1 1 26 ASP OXT O -14.909 -0.136 1.181 1.00 . A A . 83 ASP OXT 1 1 15 6463 1 1 26 ASP OD1 O -12.061 3.454 0.724 1.00 . A A . 83 ASP OD1 1 1 15 6464 1 1 26 ASP OD2 O -14.187 3.639 1.238 1.00 . A A . 83 ASP OD2 1 1 15 6465 2 2 1 ZN ZN ZN -4.257 -3.082 -1.944 1.00 . B A . 101 ZN ZN 1 1 16 6466 1 1 1 LYS C C 9.171 -5.156 2.790 1.00 . A A . 58 LYS C 1 1 16 6467 1 1 1 LYS CA C 10.465 -5.162 1.983 1.00 . A A . 58 LYS CA 1 1 16 6468 1 1 1 LYS CB C 10.523 -3.946 1.048 1.00 . A A . 58 LYS CB 1 1 16 6469 1 1 1 LYS CD C 9.497 -2.636 -0.837 1.00 . A A . 58 LYS CD 1 1 16 6470 1 1 1 LYS CE C 10.622 -2.854 -1.839 1.00 . A A . 58 LYS CE 1 1 16 6471 1 1 1 LYS CG C 9.340 -3.824 0.100 1.00 . A A . 58 LYS CG 1 1 16 6472 1 1 1 LYS H1 H 10.593 -7.239 1.847 1.00 . A A . 58 LYS H1 1 1 16 6473 1 1 1 LYS H2 H 11.431 -6.413 0.624 1.00 . A A . 58 LYS H2 1 1 16 6474 1 1 1 LYS H3 H 9.740 -6.515 0.576 1.00 . A A . 58 LYS H3 1 1 16 6475 1 1 1 LYS HA H 11.301 -5.125 2.668 1.00 . A A . 58 LYS HA 1 1 16 6476 1 1 1 LYS HB2 H 10.566 -3.048 1.646 1.00 . A A . 58 LYS HB2 1 1 16 6477 1 1 1 LYS HB3 H 11.423 -4.010 0.454 1.00 . A A . 58 LYS HB3 1 1 16 6478 1 1 1 LYS HD2 H 8.574 -2.491 -1.376 1.00 . A A . 58 LYS HD2 1 1 16 6479 1 1 1 LYS HD3 H 9.716 -1.755 -0.251 1.00 . A A . 58 LYS HD3 1 1 16 6480 1 1 1 LYS HE2 H 10.800 -1.930 -2.369 1.00 . A A . 58 LYS HE2 1 1 16 6481 1 1 1 LYS HE3 H 11.515 -3.138 -1.302 1.00 . A A . 58 LYS HE3 1 1 16 6482 1 1 1 LYS HG2 H 9.268 -4.728 -0.489 1.00 . A A . 58 LYS HG2 1 1 16 6483 1 1 1 LYS HG3 H 8.436 -3.698 0.679 1.00 . A A . 58 LYS HG3 1 1 16 6484 1 1 1 LYS HZ1 H 9.414 -3.673 -3.337 1.00 . A A . 58 LYS HZ1 1 1 16 6485 1 1 1 LYS HZ2 H 10.145 -4.832 -2.338 1.00 . A A . 58 LYS HZ2 1 1 16 6486 1 1 1 LYS HZ3 H 11.064 -4.026 -3.515 1.00 . A A . 58 LYS HZ3 1 1 16 6487 1 1 1 LYS N N 10.565 -6.417 1.203 1.00 . A A . 58 LYS N 1 1 16 6488 1 1 1 LYS NZ N 10.289 -3.921 -2.823 1.00 . A A . 58 LYS NZ 1 1 16 6489 1 1 1 LYS O O 8.190 -5.787 2.404 1.00 . A A . 58 LYS O 1 1 16 6490 1 1 2 PRO C C 6.813 -3.634 4.311 1.00 . A A . 59 PRO C 1 1 16 6491 1 1 2 PRO CA C 8.007 -4.418 4.847 1.00 . A A . 59 PRO CA 1 1 16 6492 1 1 2 PRO CB C 8.561 -3.728 6.105 1.00 . A A . 59 PRO CB 1 1 16 6493 1 1 2 PRO CD C 10.244 -3.587 4.411 1.00 . A A . 59 PRO CD 1 1 16 6494 1 1 2 PRO CG C 10.035 -3.613 5.895 1.00 . A A . 59 PRO CG 1 1 16 6495 1 1 2 PRO HA H 7.691 -5.419 5.097 1.00 . A A . 59 PRO HA 1 1 16 6496 1 1 2 PRO HB2 H 8.104 -2.755 6.211 1.00 . A A . 59 PRO HB2 1 1 16 6497 1 1 2 PRO HB3 H 8.335 -4.331 6.974 1.00 . A A . 59 PRO HB3 1 1 16 6498 1 1 2 PRO HD2 H 10.156 -2.581 4.031 1.00 . A A . 59 PRO HD2 1 1 16 6499 1 1 2 PRO HD3 H 11.204 -4.010 4.154 1.00 . A A . 59 PRO HD3 1 1 16 6500 1 1 2 PRO HG2 H 10.398 -2.700 6.339 1.00 . A A . 59 PRO HG2 1 1 16 6501 1 1 2 PRO HG3 H 10.536 -4.467 6.328 1.00 . A A . 59 PRO HG3 1 1 16 6502 1 1 2 PRO N N 9.150 -4.435 3.924 1.00 . A A . 59 PRO N 1 1 16 6503 1 1 2 PRO O O 5.828 -3.430 5.022 1.00 . A A . 59 PRO O 1 1 16 6504 1 1 3 TYR C C 5.091 -3.161 1.411 1.00 . A A . 60 TYR C 1 1 16 6505 1 1 3 TYR CA C 5.837 -2.390 2.487 1.00 . A A . 60 TYR CA 1 1 16 6506 1 1 3 TYR CB C 6.423 -1.109 1.901 1.00 . A A . 60 TYR CB 1 1 16 6507 1 1 3 TYR CD1 C 6.484 0.673 3.684 1.00 . A A . 60 TYR CD1 1 1 16 6508 1 1 3 TYR CD2 C 8.524 -0.399 3.085 1.00 . A A . 60 TYR CD2 1 1 16 6509 1 1 3 TYR CE1 C 7.155 1.449 4.606 1.00 . A A . 60 TYR CE1 1 1 16 6510 1 1 3 TYR CE2 C 9.204 0.372 4.006 1.00 . A A . 60 TYR CE2 1 1 16 6511 1 1 3 TYR CG C 7.158 -0.262 2.910 1.00 . A A . 60 TYR CG 1 1 16 6512 1 1 3 TYR CZ C 8.504 1.295 4.772 1.00 . A A . 60 TYR CZ 1 1 16 6513 1 1 3 TYR H H 7.667 -3.441 2.520 1.00 . A A . 60 TYR H 1 1 16 6514 1 1 3 TYR HA H 5.146 -2.130 3.275 1.00 . A A . 60 TYR HA 1 1 16 6515 1 1 3 TYR HB2 H 7.118 -1.365 1.115 1.00 . A A . 60 TYR HB2 1 1 16 6516 1 1 3 TYR HB3 H 5.622 -0.513 1.487 1.00 . A A . 60 TYR HB3 1 1 16 6517 1 1 3 TYR HD1 H 5.418 0.791 3.556 1.00 . A A . 60 TYR HD1 1 1 16 6518 1 1 3 TYR HD2 H 9.059 -1.125 2.484 1.00 . A A . 60 TYR HD2 1 1 16 6519 1 1 3 TYR HE1 H 6.615 2.171 5.200 1.00 . A A . 60 TYR HE1 1 1 16 6520 1 1 3 TYR HE2 H 10.269 0.251 4.130 1.00 . A A . 60 TYR HE2 1 1 16 6521 1 1 3 TYR HH H 8.650 2.141 6.483 1.00 . A A . 60 TYR HH 1 1 16 6522 1 1 3 TYR N N 6.891 -3.198 3.065 1.00 . A A . 60 TYR N 1 1 16 6523 1 1 3 TYR O O 5.426 -3.085 0.225 1.00 . A A . 60 TYR O 1 1 16 6524 1 1 3 TYR OH O 9.189 2.064 5.683 1.00 . A A . 60 TYR OH 1 1 16 6525 1 1 4 VAL C C 1.780 -4.558 1.403 1.00 . A A . 61 VAL C 1 1 16 6526 1 1 4 VAL CA C 3.223 -4.641 0.924 1.00 . A A . 61 VAL CA 1 1 16 6527 1 1 4 VAL CB C 3.626 -6.132 0.817 1.00 . A A . 61 VAL CB 1 1 16 6528 1 1 4 VAL CG1 C 2.806 -6.822 -0.253 1.00 . A A . 61 VAL CG1 1 1 16 6529 1 1 4 VAL CG2 C 5.103 -6.283 0.519 1.00 . A A . 61 VAL CG2 1 1 16 6530 1 1 4 VAL H H 3.897 -3.966 2.790 1.00 . A A . 61 VAL H 1 1 16 6531 1 1 4 VAL HA H 3.301 -4.190 -0.055 1.00 . A A . 61 VAL HA 1 1 16 6532 1 1 4 VAL HB H 3.419 -6.611 1.762 1.00 . A A . 61 VAL HB 1 1 16 6533 1 1 4 VAL HG11 H 1.758 -6.686 -0.037 1.00 . A A . 61 VAL HG11 1 1 16 6534 1 1 4 VAL HG12 H 3.041 -7.875 -0.265 1.00 . A A . 61 VAL HG12 1 1 16 6535 1 1 4 VAL HG13 H 3.036 -6.388 -1.220 1.00 . A A . 61 VAL HG13 1 1 16 6536 1 1 4 VAL HG21 H 5.329 -5.770 -0.405 1.00 . A A . 61 VAL HG21 1 1 16 6537 1 1 4 VAL HG22 H 5.345 -7.329 0.419 1.00 . A A . 61 VAL HG22 1 1 16 6538 1 1 4 VAL HG23 H 5.677 -5.851 1.322 1.00 . A A . 61 VAL HG23 1 1 16 6539 1 1 4 VAL N N 4.077 -3.904 1.834 1.00 . A A . 61 VAL N 1 1 16 6540 1 1 4 VAL O O 1.513 -4.535 2.607 1.00 . A A . 61 VAL O 1 1 16 6541 1 1 5 CYS C C -1.041 -5.853 1.146 1.00 . A A . 62 CYS C 1 1 16 6542 1 1 5 CYS CA C -0.558 -4.464 0.780 1.00 . A A . 62 CYS CA 1 1 16 6543 1 1 5 CYS CB C -1.358 -3.944 -0.411 1.00 . A A . 62 CYS CB 1 1 16 6544 1 1 5 CYS H H 1.147 -4.482 -0.479 1.00 . A A . 62 CYS H 1 1 16 6545 1 1 5 CYS HA H -0.702 -3.804 1.622 1.00 . A A . 62 CYS HA 1 1 16 6546 1 1 5 CYS HB2 H -1.080 -2.926 -0.604 1.00 . A A . 62 CYS HB2 1 1 16 6547 1 1 5 CYS HB3 H -1.125 -4.548 -1.280 1.00 . A A . 62 CYS HB3 1 1 16 6548 1 1 5 CYS N N 0.861 -4.496 0.463 1.00 . A A . 62 CYS N 1 1 16 6549 1 1 5 CYS O O -1.165 -6.718 0.283 1.00 . A A . 62 CYS O 1 1 16 6550 1 1 5 CYS SG S -3.146 -3.954 -0.209 1.00 . A A . 62 CYS SG 1 1 16 6551 1 1 6 GLU C C -3.253 -7.549 2.312 1.00 . A A . 63 GLU C 1 1 16 6552 1 1 6 GLU CA C -1.851 -7.337 2.881 1.00 . A A . 63 GLU CA 1 1 16 6553 1 1 6 GLU CB C -1.897 -7.365 4.408 1.00 . A A . 63 GLU CB 1 1 16 6554 1 1 6 GLU CD C -0.840 -9.623 4.739 1.00 . A A . 63 GLU CD 1 1 16 6555 1 1 6 GLU CG C -2.058 -8.759 4.986 1.00 . A A . 63 GLU CG 1 1 16 6556 1 1 6 GLU H H -1.141 -5.354 3.074 1.00 . A A . 63 GLU H 1 1 16 6557 1 1 6 GLU HA H -1.205 -8.126 2.528 1.00 . A A . 63 GLU HA 1 1 16 6558 1 1 6 GLU HB2 H -0.980 -6.942 4.793 1.00 . A A . 63 GLU HB2 1 1 16 6559 1 1 6 GLU HB3 H -2.728 -6.762 4.742 1.00 . A A . 63 GLU HB3 1 1 16 6560 1 1 6 GLU HG2 H -2.218 -8.679 6.050 1.00 . A A . 63 GLU HG2 1 1 16 6561 1 1 6 GLU HG3 H -2.915 -9.229 4.526 1.00 . A A . 63 GLU HG3 1 1 16 6562 1 1 6 GLU N N -1.317 -6.065 2.421 1.00 . A A . 63 GLU N 1 1 16 6563 1 1 6 GLU O O -3.761 -8.667 2.261 1.00 . A A . 63 GLU O 1 1 16 6564 1 1 6 GLU OE1 O 0.091 -9.603 5.570 1.00 . A A . 63 GLU OE1 1 1 16 6565 1 1 6 GLU OE2 O -0.814 -10.340 3.715 1.00 . A A . 63 GLU OE2 1 1 16 6566 1 1 7 ARG C C -5.313 -6.998 -0.070 1.00 . A A . 64 ARG C 1 1 16 6567 1 1 7 ARG CA C -5.222 -6.490 1.373 1.00 . A A . 64 ARG CA 1 1 16 6568 1 1 7 ARG CB C -5.850 -5.106 1.504 1.00 . A A . 64 ARG CB 1 1 16 6569 1 1 7 ARG CD C -6.690 -3.347 3.093 1.00 . A A . 64 ARG CD 1 1 16 6570 1 1 7 ARG CG C -5.822 -4.583 2.927 1.00 . A A . 64 ARG CG 1 1 16 6571 1 1 7 ARG CZ C -9.121 -2.971 3.325 1.00 . A A . 64 ARG CZ 1 1 16 6572 1 1 7 ARG H H -3.409 -5.598 1.926 1.00 . A A . 64 ARG H 1 1 16 6573 1 1 7 ARG HA H -5.775 -7.171 2.001 1.00 . A A . 64 ARG HA 1 1 16 6574 1 1 7 ARG HB2 H -5.312 -4.411 0.879 1.00 . A A . 64 ARG HB2 1 1 16 6575 1 1 7 ARG HB3 H -6.874 -5.157 1.182 1.00 . A A . 64 ARG HB3 1 1 16 6576 1 1 7 ARG HD2 H -6.640 -3.030 4.122 1.00 . A A . 64 ARG HD2 1 1 16 6577 1 1 7 ARG HD3 H -6.300 -2.564 2.456 1.00 . A A . 64 ARG HD3 1 1 16 6578 1 1 7 ARG HE H -8.271 -4.227 2.005 1.00 . A A . 64 ARG HE 1 1 16 6579 1 1 7 ARG HG2 H -6.172 -5.357 3.588 1.00 . A A . 64 ARG HG2 1 1 16 6580 1 1 7 ARG HG3 H -4.802 -4.331 3.182 1.00 . A A . 64 ARG HG3 1 1 16 6581 1 1 7 ARG HH11 H -7.990 -2.043 4.740 1.00 . A A . 64 ARG HH11 1 1 16 6582 1 1 7 ARG HH12 H -9.693 -1.713 4.807 1.00 . A A . 64 ARG HH12 1 1 16 6583 1 1 7 ARG HH21 H -10.525 -3.790 2.106 1.00 . A A . 64 ARG HH21 1 1 16 6584 1 1 7 ARG HH22 H -11.135 -2.694 3.312 1.00 . A A . 64 ARG HH22 1 1 16 6585 1 1 7 ARG N N -3.868 -6.456 1.877 1.00 . A A . 64 ARG N 1 1 16 6586 1 1 7 ARG NE N -8.090 -3.591 2.743 1.00 . A A . 64 ARG NE 1 1 16 6587 1 1 7 ARG NH1 N -8.922 -2.181 4.376 1.00 . A A . 64 ARG NH1 1 1 16 6588 1 1 7 ARG NH2 N -10.357 -3.174 2.884 1.00 . A A . 64 ARG NH2 1 1 16 6589 1 1 7 ARG O O -6.282 -7.669 -0.413 1.00 . A A . 64 ARG O 1 1 16 6590 1 1 8 CYS C C -3.098 -7.676 -2.874 1.00 . A A . 65 CYS C 1 1 16 6591 1 1 8 CYS CA C -4.441 -7.213 -2.307 1.00 . A A . 65 CYS CA 1 1 16 6592 1 1 8 CYS CB C -5.084 -6.185 -3.232 1.00 . A A . 65 CYS CB 1 1 16 6593 1 1 8 CYS H H -3.581 -6.111 -0.679 1.00 . A A . 65 CYS H 1 1 16 6594 1 1 8 CYS HA H -5.091 -8.074 -2.262 1.00 . A A . 65 CYS HA 1 1 16 6595 1 1 8 CYS HB2 H -5.412 -6.684 -4.132 1.00 . A A . 65 CYS HB2 1 1 16 6596 1 1 8 CYS HB3 H -5.940 -5.748 -2.730 1.00 . A A . 65 CYS HB3 1 1 16 6597 1 1 8 CYS N N -4.341 -6.690 -0.942 1.00 . A A . 65 CYS N 1 1 16 6598 1 1 8 CYS O O -3.015 -8.067 -4.038 1.00 . A A . 65 CYS O 1 1 16 6599 1 1 8 CYS SG S -3.997 -4.840 -3.733 1.00 . A A . 65 CYS SG 1 1 16 6600 1 1 9 GLY C C 0.148 -7.129 -3.110 1.00 . A A . 66 GLY C 1 1 16 6601 1 1 9 GLY CA C -0.771 -8.164 -2.490 1.00 . A A . 66 GLY CA 1 1 16 6602 1 1 9 GLY H H -2.147 -7.244 -1.171 1.00 . A A . 66 GLY H 1 1 16 6603 1 1 9 GLY HA2 H -0.274 -8.588 -1.627 1.00 . A A . 66 GLY HA2 1 1 16 6604 1 1 9 GLY HA3 H -0.946 -8.948 -3.215 1.00 . A A . 66 GLY HA3 1 1 16 6605 1 1 9 GLY N N -2.053 -7.630 -2.066 1.00 . A A . 66 GLY N 1 1 16 6606 1 1 9 GLY O O 1.363 -7.319 -3.136 1.00 . A A . 66 GLY O 1 1 16 6607 1 1 10 LYS C C 1.330 -4.318 -3.285 1.00 . A A . 67 LYS C 1 1 16 6608 1 1 10 LYS CA C 0.399 -5.012 -4.272 1.00 . A A . 67 LYS CA 1 1 16 6609 1 1 10 LYS CB C -0.500 -3.995 -4.964 1.00 . A A . 67 LYS CB 1 1 16 6610 1 1 10 LYS CD C -2.358 -3.620 -6.592 1.00 . A A . 67 LYS CD 1 1 16 6611 1 1 10 LYS CE C -1.728 -2.438 -7.311 1.00 . A A . 67 LYS CE 1 1 16 6612 1 1 10 LYS CG C -1.313 -4.593 -6.098 1.00 . A A . 67 LYS CG 1 1 16 6613 1 1 10 LYS H H -1.388 -5.914 -3.549 1.00 . A A . 67 LYS H 1 1 16 6614 1 1 10 LYS HA H 1.000 -5.507 -5.019 1.00 . A A . 67 LYS HA 1 1 16 6615 1 1 10 LYS HB2 H -1.183 -3.579 -4.237 1.00 . A A . 67 LYS HB2 1 1 16 6616 1 1 10 LYS HB3 H 0.113 -3.201 -5.367 1.00 . A A . 67 LYS HB3 1 1 16 6617 1 1 10 LYS HD2 H -3.022 -4.134 -7.270 1.00 . A A . 67 LYS HD2 1 1 16 6618 1 1 10 LYS HD3 H -2.917 -3.260 -5.741 1.00 . A A . 67 LYS HD3 1 1 16 6619 1 1 10 LYS HE2 H -2.506 -1.743 -7.581 1.00 . A A . 67 LYS HE2 1 1 16 6620 1 1 10 LYS HE3 H -1.031 -1.954 -6.643 1.00 . A A . 67 LYS HE3 1 1 16 6621 1 1 10 LYS HG2 H -0.651 -4.832 -6.916 1.00 . A A . 67 LYS HG2 1 1 16 6622 1 1 10 LYS HG3 H -1.802 -5.490 -5.748 1.00 . A A . 67 LYS HG3 1 1 16 6623 1 1 10 LYS HZ1 H -0.672 -2.008 -9.063 1.00 . A A . 67 LYS HZ1 1 1 16 6624 1 1 10 LYS HZ2 H -1.640 -3.399 -9.164 1.00 . A A . 67 LYS HZ2 1 1 16 6625 1 1 10 LYS HZ3 H -0.184 -3.443 -8.302 1.00 . A A . 67 LYS HZ3 1 1 16 6626 1 1 10 LYS N N -0.412 -6.034 -3.612 1.00 . A A . 67 LYS N 1 1 16 6627 1 1 10 LYS NZ N -1.006 -2.851 -8.544 1.00 . A A . 67 LYS NZ 1 1 16 6628 1 1 10 LYS O O 0.893 -3.800 -2.259 1.00 . A A . 67 LYS O 1 1 16 6629 1 1 11 ARG C C 4.122 -2.411 -3.245 1.00 . A A . 68 ARG C 1 1 16 6630 1 1 11 ARG CA C 3.622 -3.756 -2.722 1.00 . A A . 68 ARG CA 1 1 16 6631 1 1 11 ARG CB C 4.772 -4.745 -2.575 1.00 . A A . 68 ARG CB 1 1 16 6632 1 1 11 ARG CD C 6.405 -6.259 -3.733 1.00 . A A . 68 ARG CD 1 1 16 6633 1 1 11 ARG CG C 5.307 -5.222 -3.897 1.00 . A A . 68 ARG CG 1 1 16 6634 1 1 11 ARG CZ C 6.638 -8.583 -2.933 1.00 . A A . 68 ARG CZ 1 1 16 6635 1 1 11 ARG H H 2.896 -4.704 -4.461 1.00 . A A . 68 ARG H 1 1 16 6636 1 1 11 ARG HA H 3.173 -3.605 -1.760 1.00 . A A . 68 ARG HA 1 1 16 6637 1 1 11 ARG HB2 H 5.575 -4.266 -2.044 1.00 . A A . 68 ARG HB2 1 1 16 6638 1 1 11 ARG HB3 H 4.431 -5.604 -2.014 1.00 . A A . 68 ARG HB3 1 1 16 6639 1 1 11 ARG HD2 H 6.841 -6.461 -4.702 1.00 . A A . 68 ARG HD2 1 1 16 6640 1 1 11 ARG HD3 H 7.163 -5.865 -3.073 1.00 . A A . 68 ARG HD3 1 1 16 6641 1 1 11 ARG HE H 4.926 -7.555 -2.974 1.00 . A A . 68 ARG HE 1 1 16 6642 1 1 11 ARG HG2 H 4.494 -5.662 -4.453 1.00 . A A . 68 ARG HG2 1 1 16 6643 1 1 11 ARG HG3 H 5.695 -4.370 -4.425 1.00 . A A . 68 ARG HG3 1 1 16 6644 1 1 11 ARG HH11 H 8.353 -7.757 -3.637 1.00 . A A . 68 ARG HH11 1 1 16 6645 1 1 11 ARG HH12 H 8.499 -9.389 -3.050 1.00 . A A . 68 ARG HH12 1 1 16 6646 1 1 11 ARG HH21 H 5.097 -9.688 -2.216 1.00 . A A . 68 ARG HH21 1 1 16 6647 1 1 11 ARG HH22 H 6.646 -10.491 -2.237 1.00 . A A . 68 ARG HH22 1 1 16 6648 1 1 11 ARG N N 2.613 -4.317 -3.601 1.00 . A A . 68 ARG N 1 1 16 6649 1 1 11 ARG NE N 5.891 -7.511 -3.176 1.00 . A A . 68 ARG NE 1 1 16 6650 1 1 11 ARG NH1 N 7.931 -8.575 -3.229 1.00 . A A . 68 ARG NH1 1 1 16 6651 1 1 11 ARG NH2 N 6.084 -9.671 -2.421 1.00 . A A . 68 ARG NH2 1 1 16 6652 1 1 11 ARG O O 3.899 -2.065 -4.409 1.00 . A A . 68 ARG O 1 1 16 6653 1 1 12 PHE C C 6.577 -0.045 -2.045 1.00 . A A . 69 PHE C 1 1 16 6654 1 1 12 PHE CA C 5.236 -0.310 -2.676 1.00 . A A . 69 PHE CA 1 1 16 6655 1 1 12 PHE CB C 4.204 0.702 -2.175 1.00 . A A . 69 PHE CB 1 1 16 6656 1 1 12 PHE CD1 C 1.924 0.042 -2.971 1.00 . A A . 69 PHE CD1 1 1 16 6657 1 1 12 PHE CD2 C 3.064 1.790 -4.116 1.00 . A A . 69 PHE CD2 1 1 16 6658 1 1 12 PHE CE1 C 0.856 0.170 -3.833 1.00 . A A . 69 PHE CE1 1 1 16 6659 1 1 12 PHE CE2 C 2.000 1.924 -4.983 1.00 . A A . 69 PHE CE2 1 1 16 6660 1 1 12 PHE CG C 3.038 0.849 -3.103 1.00 . A A . 69 PHE CG 1 1 16 6661 1 1 12 PHE CZ C 0.892 1.115 -4.839 1.00 . A A . 69 PHE CZ 1 1 16 6662 1 1 12 PHE H H 5.049 -2.054 -1.519 1.00 . A A . 69 PHE H 1 1 16 6663 1 1 12 PHE HA H 5.340 -0.202 -3.742 1.00 . A A . 69 PHE HA 1 1 16 6664 1 1 12 PHE HB2 H 3.823 0.377 -1.217 1.00 . A A . 69 PHE HB2 1 1 16 6665 1 1 12 PHE HB3 H 4.673 1.674 -2.066 1.00 . A A . 69 PHE HB3 1 1 16 6666 1 1 12 PHE HD1 H 1.896 -0.696 -2.184 1.00 . A A . 69 PHE HD1 1 1 16 6667 1 1 12 PHE HD2 H 3.931 2.427 -4.229 1.00 . A A . 69 PHE HD2 1 1 16 6668 1 1 12 PHE HE1 H -0.008 -0.466 -3.718 1.00 . A A . 69 PHE HE1 1 1 16 6669 1 1 12 PHE HE2 H 2.032 2.663 -5.768 1.00 . A A . 69 PHE HE2 1 1 16 6670 1 1 12 PHE HZ H 0.057 1.218 -5.513 1.00 . A A . 69 PHE HZ 1 1 16 6671 1 1 12 PHE N N 4.805 -1.668 -2.384 1.00 . A A . 69 PHE N 1 1 16 6672 1 1 12 PHE O O 6.932 -0.633 -1.030 1.00 . A A . 69 PHE O 1 1 16 6673 1 1 13 VAL C C 8.478 2.202 -1.073 1.00 . A A . 70 VAL C 1 1 16 6674 1 1 13 VAL CA C 8.635 1.208 -2.204 1.00 . A A . 70 VAL CA 1 1 16 6675 1 1 13 VAL CB C 9.482 1.876 -3.305 1.00 . A A . 70 VAL CB 1 1 16 6676 1 1 13 VAL CG1 C 10.961 1.744 -2.994 1.00 . A A . 70 VAL CG1 1 1 16 6677 1 1 13 VAL CG2 C 9.154 1.314 -4.677 1.00 . A A . 70 VAL CG2 1 1 16 6678 1 1 13 VAL H H 7.004 1.185 -3.526 1.00 . A A . 70 VAL H 1 1 16 6679 1 1 13 VAL HA H 9.154 0.329 -1.847 1.00 . A A . 70 VAL HA 1 1 16 6680 1 1 13 VAL HB H 9.244 2.932 -3.312 1.00 . A A . 70 VAL HB 1 1 16 6681 1 1 13 VAL HG11 H 11.175 2.237 -2.057 1.00 . A A . 70 VAL HG11 1 1 16 6682 1 1 13 VAL HG12 H 11.537 2.203 -3.784 1.00 . A A . 70 VAL HG12 1 1 16 6683 1 1 13 VAL HG13 H 11.220 0.699 -2.919 1.00 . A A . 70 VAL HG13 1 1 16 6684 1 1 13 VAL HG21 H 8.127 1.543 -4.917 1.00 . A A . 70 VAL HG21 1 1 16 6685 1 1 13 VAL HG22 H 9.296 0.243 -4.673 1.00 . A A . 70 VAL HG22 1 1 16 6686 1 1 13 VAL HG23 H 9.804 1.763 -5.413 1.00 . A A . 70 VAL HG23 1 1 16 6687 1 1 13 VAL N N 7.332 0.813 -2.689 1.00 . A A . 70 VAL N 1 1 16 6688 1 1 13 VAL O O 9.231 2.178 -0.102 1.00 . A A . 70 VAL O 1 1 16 6689 1 1 14 GLN C C 6.263 3.930 0.713 1.00 . A A . 71 GLN C 1 1 16 6690 1 1 14 GLN CA C 7.340 4.188 -0.326 1.00 . A A . 71 GLN CA 1 1 16 6691 1 1 14 GLN CB C 6.975 5.395 -1.165 1.00 . A A . 71 GLN CB 1 1 16 6692 1 1 14 GLN CD C 7.936 7.060 -2.785 1.00 . A A . 71 GLN CD 1 1 16 6693 1 1 14 GLN CG C 7.887 5.609 -2.362 1.00 . A A . 71 GLN CG 1 1 16 6694 1 1 14 GLN H H 6.811 2.956 -1.908 1.00 . A A . 71 GLN H 1 1 16 6695 1 1 14 GLN HA H 8.284 4.365 0.163 1.00 . A A . 71 GLN HA 1 1 16 6696 1 1 14 GLN HB2 H 5.959 5.275 -1.529 1.00 . A A . 71 GLN HB2 1 1 16 6697 1 1 14 GLN HB3 H 7.026 6.253 -0.546 1.00 . A A . 71 GLN HB3 1 1 16 6698 1 1 14 GLN HE21 H 9.462 7.393 -1.554 1.00 . A A . 71 GLN HE21 1 1 16 6699 1 1 14 GLN HE22 H 8.910 8.757 -2.469 1.00 . A A . 71 GLN HE22 1 1 16 6700 1 1 14 GLN HG2 H 8.884 5.274 -2.119 1.00 . A A . 71 GLN HG2 1 1 16 6701 1 1 14 GLN HG3 H 7.508 5.025 -3.190 1.00 . A A . 71 GLN HG3 1 1 16 6702 1 1 14 GLN N N 7.480 3.069 -1.202 1.00 . A A . 71 GLN N 1 1 16 6703 1 1 14 GLN NE2 N 8.860 7.811 -2.214 1.00 . A A . 71 GLN NE2 1 1 16 6704 1 1 14 GLN O O 5.211 3.364 0.409 1.00 . A A . 71 GLN O 1 1 16 6705 1 1 14 GLN OE1 O 7.140 7.510 -3.606 1.00 . A A . 71 GLN OE1 1 1 16 6706 1 1 15 SER C C 4.323 5.038 2.728 1.00 . A A . 72 SER C 1 1 16 6707 1 1 15 SER CA C 5.584 4.237 3.027 1.00 . A A . 72 SER CA 1 1 16 6708 1 1 15 SER CB C 6.229 4.716 4.330 1.00 . A A . 72 SER CB 1 1 16 6709 1 1 15 SER H H 7.398 4.801 2.109 1.00 . A A . 72 SER H 1 1 16 6710 1 1 15 SER HA H 5.324 3.192 3.121 1.00 . A A . 72 SER HA 1 1 16 6711 1 1 15 SER HB2 H 5.482 4.754 5.108 1.00 . A A . 72 SER HB2 1 1 16 6712 1 1 15 SER HB3 H 7.012 4.028 4.615 1.00 . A A . 72 SER HB3 1 1 16 6713 1 1 15 SER HG H 6.258 6.648 4.659 1.00 . A A . 72 SER HG 1 1 16 6714 1 1 15 SER N N 6.530 4.368 1.935 1.00 . A A . 72 SER N 1 1 16 6715 1 1 15 SER O O 3.208 4.589 2.998 1.00 . A A . 72 SER O 1 1 16 6716 1 1 15 SER OG O 6.791 6.008 4.170 1.00 . A A . 72 SER OG 1 1 16 6717 1 1 16 SER C C 2.508 6.385 0.763 1.00 . A A . 73 SER C 1 1 16 6718 1 1 16 SER CA C 3.407 7.080 1.779 1.00 . A A . 73 SER CA 1 1 16 6719 1 1 16 SER CB C 3.939 8.397 1.208 1.00 . A A . 73 SER CB 1 1 16 6720 1 1 16 SER H H 5.431 6.519 1.966 1.00 . A A . 73 SER H 1 1 16 6721 1 1 16 SER HA H 2.836 7.286 2.669 1.00 . A A . 73 SER HA 1 1 16 6722 1 1 16 SER HB2 H 4.645 8.825 1.903 1.00 . A A . 73 SER HB2 1 1 16 6723 1 1 16 SER HB3 H 4.434 8.202 0.267 1.00 . A A . 73 SER HB3 1 1 16 6724 1 1 16 SER HG H 3.158 10.189 1.364 1.00 . A A . 73 SER HG 1 1 16 6725 1 1 16 SER N N 4.513 6.216 2.146 1.00 . A A . 73 SER N 1 1 16 6726 1 1 16 SER O O 1.300 6.311 0.954 1.00 . A A . 73 SER O 1 1 16 6727 1 1 16 SER OG O 2.896 9.331 0.993 1.00 . A A . 73 SER OG 1 1 16 6728 1 1 17 GLN C C 1.619 3.998 -0.806 1.00 . A A . 74 GLN C 1 1 16 6729 1 1 17 GLN CA C 2.364 5.192 -1.353 1.00 . A A . 74 GLN CA 1 1 16 6730 1 1 17 GLN CB C 3.290 4.734 -2.479 1.00 . A A . 74 GLN CB 1 1 16 6731 1 1 17 GLN CD C 4.870 5.337 -4.334 1.00 . A A . 74 GLN CD 1 1 16 6732 1 1 17 GLN CG C 3.926 5.860 -3.270 1.00 . A A . 74 GLN CG 1 1 16 6733 1 1 17 GLN H H 4.081 5.774 -0.296 1.00 . A A . 74 GLN H 1 1 16 6734 1 1 17 GLN HA H 1.657 5.910 -1.736 1.00 . A A . 74 GLN HA 1 1 16 6735 1 1 17 GLN HB2 H 4.086 4.137 -2.051 1.00 . A A . 74 GLN HB2 1 1 16 6736 1 1 17 GLN HB3 H 2.721 4.119 -3.166 1.00 . A A . 74 GLN HB3 1 1 16 6737 1 1 17 GLN HE21 H 4.489 6.904 -5.493 1.00 . A A . 74 GLN HE21 1 1 16 6738 1 1 17 GLN HE22 H 5.611 5.750 -6.130 1.00 . A A . 74 GLN HE22 1 1 16 6739 1 1 17 GLN HG2 H 3.147 6.435 -3.748 1.00 . A A . 74 GLN HG2 1 1 16 6740 1 1 17 GLN HG3 H 4.479 6.495 -2.592 1.00 . A A . 74 GLN HG3 1 1 16 6741 1 1 17 GLN N N 3.115 5.817 -0.278 1.00 . A A . 74 GLN N 1 1 16 6742 1 1 17 GLN NE2 N 5.002 6.070 -5.426 1.00 . A A . 74 GLN NE2 1 1 16 6743 1 1 17 GLN O O 0.484 3.740 -1.174 1.00 . A A . 74 GLN O 1 1 16 6744 1 1 17 GLN OE1 O 5.482 4.280 -4.168 1.00 . A A . 74 GLN OE1 1 1 16 6745 1 1 18 LEU C C 0.466 2.511 1.511 1.00 . A A . 75 LEU C 1 1 16 6746 1 1 18 LEU CA C 1.694 2.122 0.719 1.00 . A A . 75 LEU CA 1 1 16 6747 1 1 18 LEU CB C 2.717 1.460 1.641 1.00 . A A . 75 LEU CB 1 1 16 6748 1 1 18 LEU CD1 C 1.718 -0.794 1.513 1.00 . A A . 75 LEU CD1 1 1 16 6749 1 1 18 LEU CD2 C 3.211 -0.230 3.426 1.00 . A A . 75 LEU CD2 1 1 16 6750 1 1 18 LEU CG C 2.172 0.294 2.450 1.00 . A A . 75 LEU CG 1 1 16 6751 1 1 18 LEU H H 3.193 3.547 0.329 1.00 . A A . 75 LEU H 1 1 16 6752 1 1 18 LEU HA H 1.394 1.438 -0.055 1.00 . A A . 75 LEU HA 1 1 16 6753 1 1 18 LEU HB2 H 3.541 1.100 1.035 1.00 . A A . 75 LEU HB2 1 1 16 6754 1 1 18 LEU HB3 H 3.092 2.207 2.329 1.00 . A A . 75 LEU HB3 1 1 16 6755 1 1 18 LEU HD11 H 1.359 -1.635 2.083 1.00 . A A . 75 LEU HD11 1 1 16 6756 1 1 18 LEU HD12 H 2.547 -1.097 0.894 1.00 . A A . 75 LEU HD12 1 1 16 6757 1 1 18 LEU HD13 H 0.919 -0.406 0.892 1.00 . A A . 75 LEU HD13 1 1 16 6758 1 1 18 LEU HD21 H 2.800 -1.063 3.977 1.00 . A A . 75 LEU HD21 1 1 16 6759 1 1 18 LEU HD22 H 3.487 0.555 4.114 1.00 . A A . 75 LEU HD22 1 1 16 6760 1 1 18 LEU HD23 H 4.085 -0.556 2.882 1.00 . A A . 75 LEU HD23 1 1 16 6761 1 1 18 LEU HG H 1.313 0.626 3.017 1.00 . A A . 75 LEU HG 1 1 16 6762 1 1 18 LEU N N 2.280 3.284 0.088 1.00 . A A . 75 LEU N 1 1 16 6763 1 1 18 LEU O O -0.633 2.022 1.261 1.00 . A A . 75 LEU O 1 1 16 6764 1 1 19 ALA C C -1.491 4.484 2.375 1.00 . A A . 76 ALA C 1 1 16 6765 1 1 19 ALA CA C -0.428 3.894 3.275 1.00 . A A . 76 ALA CA 1 1 16 6766 1 1 19 ALA CB C 0.067 4.921 4.280 1.00 . A A . 76 ALA CB 1 1 16 6767 1 1 19 ALA H H 1.591 3.636 2.687 1.00 . A A . 76 ALA H 1 1 16 6768 1 1 19 ALA HA H -0.871 3.071 3.818 1.00 . A A . 76 ALA HA 1 1 16 6769 1 1 19 ALA HB1 H 0.479 5.772 3.753 1.00 . A A . 76 ALA HB1 1 1 16 6770 1 1 19 ALA HB2 H 0.833 4.480 4.900 1.00 . A A . 76 ALA HB2 1 1 16 6771 1 1 19 ALA HB3 H -0.755 5.244 4.897 1.00 . A A . 76 ALA HB3 1 1 16 6772 1 1 19 ALA N N 0.671 3.370 2.484 1.00 . A A . 76 ALA N 1 1 16 6773 1 1 19 ALA O O -2.670 4.211 2.564 1.00 . A A . 76 ALA O 1 1 16 6774 1 1 20 ASN C C -2.824 4.720 -0.244 1.00 . A A . 77 ASN C 1 1 16 6775 1 1 20 ASN CA C -2.027 5.829 0.433 1.00 . A A . 77 ASN CA 1 1 16 6776 1 1 20 ASN CB C -1.309 6.679 -0.617 1.00 . A A . 77 ASN CB 1 1 16 6777 1 1 20 ASN CG C -2.273 7.407 -1.536 1.00 . A A . 77 ASN CG 1 1 16 6778 1 1 20 ASN H H -0.092 5.401 1.231 1.00 . A A . 77 ASN H 1 1 16 6779 1 1 20 ASN HA H -2.704 6.453 0.996 1.00 . A A . 77 ASN HA 1 1 16 6780 1 1 20 ASN HB2 H -0.696 7.413 -0.117 1.00 . A A . 77 ASN HB2 1 1 16 6781 1 1 20 ASN HB3 H -0.682 6.039 -1.217 1.00 . A A . 77 ASN HB3 1 1 16 6782 1 1 20 ASN HD21 H -0.948 7.315 -3.023 1.00 . A A . 77 ASN HD21 1 1 16 6783 1 1 20 ASN HD22 H -2.461 8.103 -3.385 1.00 . A A . 77 ASN HD22 1 1 16 6784 1 1 20 ASN N N -1.073 5.242 1.363 1.00 . A A . 77 ASN N 1 1 16 6785 1 1 20 ASN ND2 N -1.855 7.633 -2.770 1.00 . A A . 77 ASN ND2 1 1 16 6786 1 1 20 ASN O O -4.047 4.795 -0.362 1.00 . A A . 77 ASN O 1 1 16 6787 1 1 20 ASN OD1 O -3.381 7.767 -1.141 1.00 . A A . 77 ASN OD1 1 1 16 6788 1 1 21 HIS C C -3.772 1.861 -0.465 1.00 . A A . 78 HIS C 1 1 16 6789 1 1 21 HIS CA C -2.713 2.543 -1.322 1.00 . A A . 78 HIS CA 1 1 16 6790 1 1 21 HIS CB C -1.614 1.550 -1.687 1.00 . A A . 78 HIS CB 1 1 16 6791 1 1 21 HIS CD2 C -2.410 -0.884 -1.872 1.00 . A A . 78 HIS CD2 1 1 16 6792 1 1 21 HIS CE1 C -2.684 -0.998 -4.018 1.00 . A A . 78 HIS CE1 1 1 16 6793 1 1 21 HIS CG C -2.101 0.329 -2.379 1.00 . A A . 78 HIS CG 1 1 16 6794 1 1 21 HIS H H -1.143 3.631 -0.424 1.00 . A A . 78 HIS H 1 1 16 6795 1 1 21 HIS HA H -3.172 2.913 -2.226 1.00 . A A . 78 HIS HA 1 1 16 6796 1 1 21 HIS HB2 H -0.903 2.037 -2.337 1.00 . A A . 78 HIS HB2 1 1 16 6797 1 1 21 HIS HB3 H -1.111 1.238 -0.780 1.00 . A A . 78 HIS HB3 1 1 16 6798 1 1 21 HIS HD1 H -2.156 0.972 -4.396 1.00 . A A . 78 HIS HD1 1 1 16 6799 1 1 21 HIS HD2 H -2.406 -1.157 -0.819 1.00 . A A . 78 HIS HD2 1 1 16 6800 1 1 21 HIS HE1 H -2.902 -1.360 -5.011 1.00 . A A . 78 HIS HE1 1 1 16 6801 1 1 21 HIS N N -2.117 3.663 -0.625 1.00 . A A . 78 HIS N 1 1 16 6802 1 1 21 HIS ND1 N -2.284 0.239 -3.739 1.00 . A A . 78 HIS ND1 1 1 16 6803 1 1 21 HIS NE2 N -2.776 -1.729 -2.916 1.00 . A A . 78 HIS NE2 1 1 16 6804 1 1 21 HIS O O -4.904 1.659 -0.903 1.00 . A A . 78 HIS O 1 1 16 6805 1 1 22 ILE C C -5.417 1.732 2.124 1.00 . A A . 79 ILE C 1 1 16 6806 1 1 22 ILE CA C -4.304 0.800 1.641 1.00 . A A . 79 ILE CA 1 1 16 6807 1 1 22 ILE CB C -3.546 0.177 2.833 1.00 . A A . 79 ILE CB 1 1 16 6808 1 1 22 ILE CD1 C -1.583 -0.767 1.491 1.00 . A A . 79 ILE CD1 1 1 16 6809 1 1 22 ILE CG1 C -2.757 -1.057 2.388 1.00 . A A . 79 ILE CG1 1 1 16 6810 1 1 22 ILE CG2 C -4.503 -0.208 3.937 1.00 . A A . 79 ILE CG2 1 1 16 6811 1 1 22 ILE H H -2.475 1.665 1.052 1.00 . A A . 79 ILE H 1 1 16 6812 1 1 22 ILE HA H -4.756 -0.010 1.078 1.00 . A A . 79 ILE HA 1 1 16 6813 1 1 22 ILE HB H -2.859 0.915 3.222 1.00 . A A . 79 ILE HB 1 1 16 6814 1 1 22 ILE HD11 H -1.917 -0.210 0.631 1.00 . A A . 79 ILE HD11 1 1 16 6815 1 1 22 ILE HD12 H -1.136 -1.695 1.170 1.00 . A A . 79 ILE HD12 1 1 16 6816 1 1 22 ILE HD13 H -0.852 -0.184 2.034 1.00 . A A . 79 ILE HD13 1 1 16 6817 1 1 22 ILE HG12 H -2.377 -1.549 3.261 1.00 . A A . 79 ILE HG12 1 1 16 6818 1 1 22 ILE HG13 H -3.422 -1.727 1.858 1.00 . A A . 79 ILE HG13 1 1 16 6819 1 1 22 ILE HG21 H -3.952 -0.649 4.750 1.00 . A A . 79 ILE HG21 1 1 16 6820 1 1 22 ILE HG22 H -5.214 -0.921 3.550 1.00 . A A . 79 ILE HG22 1 1 16 6821 1 1 22 ILE HG23 H -5.022 0.671 4.285 1.00 . A A . 79 ILE HG23 1 1 16 6822 1 1 22 ILE N N -3.397 1.489 0.750 1.00 . A A . 79 ILE N 1 1 16 6823 1 1 22 ILE O O -6.551 1.298 2.331 1.00 . A A . 79 ILE O 1 1 16 6824 1 1 23 ARG C C -7.173 4.090 1.510 1.00 . A A . 80 ARG C 1 1 16 6825 1 1 23 ARG CA C -6.123 3.993 2.615 1.00 . A A . 80 ARG CA 1 1 16 6826 1 1 23 ARG CB C -5.466 5.339 2.847 1.00 . A A . 80 ARG CB 1 1 16 6827 1 1 23 ARG CD C -4.363 6.893 4.471 1.00 . A A . 80 ARG CD 1 1 16 6828 1 1 23 ARG CG C -4.856 5.480 4.229 1.00 . A A . 80 ARG CG 1 1 16 6829 1 1 23 ARG CZ C -3.767 8.224 6.465 1.00 . A A . 80 ARG CZ 1 1 16 6830 1 1 23 ARG H H -4.175 3.320 2.212 1.00 . A A . 80 ARG H 1 1 16 6831 1 1 23 ARG HA H -6.603 3.681 3.529 1.00 . A A . 80 ARG HA 1 1 16 6832 1 1 23 ARG HB2 H -4.683 5.473 2.116 1.00 . A A . 80 ARG HB2 1 1 16 6833 1 1 23 ARG HB3 H -6.195 6.100 2.714 1.00 . A A . 80 ARG HB3 1 1 16 6834 1 1 23 ARG HD2 H -3.593 7.118 3.749 1.00 . A A . 80 ARG HD2 1 1 16 6835 1 1 23 ARG HD3 H -5.192 7.572 4.340 1.00 . A A . 80 ARG HD3 1 1 16 6836 1 1 23 ARG HE H -3.484 6.247 6.276 1.00 . A A . 80 ARG HE 1 1 16 6837 1 1 23 ARG HG2 H -5.602 5.234 4.967 1.00 . A A . 80 ARG HG2 1 1 16 6838 1 1 23 ARG HG3 H -4.023 4.799 4.315 1.00 . A A . 80 ARG HG3 1 1 16 6839 1 1 23 ARG HH11 H -4.525 9.315 4.931 1.00 . A A . 80 ARG HH11 1 1 16 6840 1 1 23 ARG HH12 H -4.129 10.221 6.361 1.00 . A A . 80 ARG HH12 1 1 16 6841 1 1 23 ARG HH21 H -2.974 7.437 8.156 1.00 . A A . 80 ARG HH21 1 1 16 6842 1 1 23 ARG HH22 H -3.262 9.145 8.198 1.00 . A A . 80 ARG HH22 1 1 16 6843 1 1 23 ARG N N -5.110 3.017 2.286 1.00 . A A . 80 ARG N 1 1 16 6844 1 1 23 ARG NE N -3.818 7.059 5.819 1.00 . A A . 80 ARG NE 1 1 16 6845 1 1 23 ARG NH1 N -4.173 9.340 5.873 1.00 . A A . 80 ARG NH1 1 1 16 6846 1 1 23 ARG NH2 N -3.293 8.272 7.702 1.00 . A A . 80 ARG NH2 1 1 16 6847 1 1 23 ARG O O -8.317 4.474 1.755 1.00 . A A . 80 ARG O 1 1 16 6848 1 1 24 HIS C C -8.500 2.436 -0.888 1.00 . A A . 81 HIS C 1 1 16 6849 1 1 24 HIS CA C -7.674 3.722 -0.851 1.00 . A A . 81 HIS CA 1 1 16 6850 1 1 24 HIS CB C -6.851 3.862 -2.139 1.00 . A A . 81 HIS CB 1 1 16 6851 1 1 24 HIS CD2 C -8.124 5.351 -3.837 1.00 . A A . 81 HIS CD2 1 1 16 6852 1 1 24 HIS CE1 C -8.743 3.793 -5.244 1.00 . A A . 81 HIS CE1 1 1 16 6853 1 1 24 HIS CG C -7.660 4.172 -3.365 1.00 . A A . 81 HIS CG 1 1 16 6854 1 1 24 HIS H H -5.845 3.437 0.173 1.00 . A A . 81 HIS H 1 1 16 6855 1 1 24 HIS HA H -8.339 4.565 -0.760 1.00 . A A . 81 HIS HA 1 1 16 6856 1 1 24 HIS HB2 H -6.131 4.657 -2.011 1.00 . A A . 81 HIS HB2 1 1 16 6857 1 1 24 HIS HB3 H -6.322 2.936 -2.316 1.00 . A A . 81 HIS HB3 1 1 16 6858 1 1 24 HIS HD1 H -7.890 2.245 -4.211 1.00 . A A . 81 HIS HD1 1 1 16 6859 1 1 24 HIS HD2 H -7.995 6.320 -3.375 1.00 . A A . 81 HIS HD2 1 1 16 6860 1 1 24 HIS HE1 H -9.191 3.289 -6.087 1.00 . A A . 81 HIS HE1 1 1 16 6861 1 1 24 HIS HE2 H -9.084 5.773 -5.657 1.00 . A A . 81 HIS HE2 1 1 16 6862 1 1 24 HIS N N -6.777 3.718 0.300 1.00 . A A . 81 HIS N 1 1 16 6863 1 1 24 HIS ND1 N -8.066 3.213 -4.273 1.00 . A A . 81 HIS ND1 1 1 16 6864 1 1 24 HIS NE2 N -8.790 5.089 -5.006 1.00 . A A . 81 HIS NE2 1 1 16 6865 1 1 24 HIS O O -9.390 2.273 -1.724 1.00 . A A . 81 HIS O 1 1 16 6866 1 1 25 HIS C C -10.202 0.354 0.871 1.00 . A A . 82 HIS C 1 1 16 6867 1 1 25 HIS CA C -8.906 0.249 0.089 1.00 . A A . 82 HIS CA 1 1 16 6868 1 1 25 HIS CB C -8.017 -0.831 0.697 1.00 . A A . 82 HIS CB 1 1 16 6869 1 1 25 HIS CD2 C -6.111 -1.454 -0.919 1.00 . A A . 82 HIS CD2 1 1 16 6870 1 1 25 HIS CE1 C -6.938 -3.266 -1.769 1.00 . A A . 82 HIS CE1 1 1 16 6871 1 1 25 HIS CG C -7.308 -1.651 -0.324 1.00 . A A . 82 HIS CG 1 1 16 6872 1 1 25 HIS H H -7.514 1.724 0.697 1.00 . A A . 82 HIS H 1 1 16 6873 1 1 25 HIS HA H -9.145 -0.035 -0.926 1.00 . A A . 82 HIS HA 1 1 16 6874 1 1 25 HIS HB2 H -7.272 -0.366 1.325 1.00 . A A . 82 HIS HB2 1 1 16 6875 1 1 25 HIS HB3 H -8.622 -1.494 1.295 1.00 . A A . 82 HIS HB3 1 1 16 6876 1 1 25 HIS HD1 H -8.698 -3.212 -0.664 1.00 . A A . 82 HIS HD1 1 1 16 6877 1 1 25 HIS HD2 H -5.417 -0.653 -0.701 1.00 . A A . 82 HIS HD2 1 1 16 6878 1 1 25 HIS HE1 H -7.065 -4.161 -2.356 1.00 . A A . 82 HIS HE1 1 1 16 6879 1 1 25 HIS N N -8.210 1.526 0.032 1.00 . A A . 82 HIS N 1 1 16 6880 1 1 25 HIS ND1 N -7.822 -2.807 -0.874 1.00 . A A . 82 HIS ND1 1 1 16 6881 1 1 25 HIS NE2 N -5.891 -2.472 -1.833 1.00 . A A . 82 HIS NE2 1 1 16 6882 1 1 25 HIS O O -10.303 -0.127 1.999 1.00 . A A . 82 HIS O 1 1 16 6883 1 1 26 ASP C C -13.270 -0.236 0.447 1.00 . A A . 83 ASP C 1 1 16 6884 1 1 26 ASP CA C -12.524 1.035 0.830 1.00 . A A . 83 ASP CA 1 1 16 6885 1 1 26 ASP CB C -13.290 2.263 0.337 1.00 . A A . 83 ASP CB 1 1 16 6886 1 1 26 ASP CG C -14.757 2.225 0.719 1.00 . A A . 83 ASP CG 1 1 16 6887 1 1 26 ASP H H -10.992 1.491 -0.561 1.00 . A A . 83 ASP H 1 1 16 6888 1 1 26 ASP HA H -12.437 1.077 1.905 1.00 . A A . 83 ASP HA 1 1 16 6889 1 1 26 ASP HB2 H -12.850 3.150 0.768 1.00 . A A . 83 ASP HB2 1 1 16 6890 1 1 26 ASP HB3 H -13.218 2.315 -0.741 1.00 . A A . 83 ASP HB3 1 1 16 6891 1 1 26 ASP N N -11.181 1.007 0.274 1.00 . A A . 83 ASP N 1 1 16 6892 1 1 26 ASP O O -13.381 -1.138 1.296 1.00 . A A . 83 ASP O 1 1 16 6893 1 1 26 ASP OXT O -13.704 -0.343 -0.719 1.00 . A A . 83 ASP OXT 1 1 16 6894 1 1 26 ASP OD1 O -15.070 2.269 1.929 1.00 . A A . 83 ASP OD1 1 1 16 6895 1 1 26 ASP OD2 O -15.609 2.169 -0.191 1.00 . A A . 83 ASP OD2 1 1 16 6896 2 2 1 ZN ZN ZN -4.049 -3.156 -2.167 1.00 . B A . 101 ZN ZN 1 1 17 6897 1 1 1 LYS C C 9.622 -4.846 1.116 1.00 . A A . 58 LYS C 1 1 17 6898 1 1 1 LYS CA C 10.790 -4.485 0.200 1.00 . A A . 58 LYS CA 1 1 17 6899 1 1 1 LYS CB C 10.294 -4.012 -1.172 1.00 . A A . 58 LYS CB 1 1 17 6900 1 1 1 LYS CD C 10.947 -3.240 -3.486 1.00 . A A . 58 LYS CD 1 1 17 6901 1 1 1 LYS CE C 12.110 -2.832 -4.376 1.00 . A A . 58 LYS CE 1 1 17 6902 1 1 1 LYS CG C 11.428 -3.562 -2.082 1.00 . A A . 58 LYS CG 1 1 17 6903 1 1 1 LYS H1 H 12.508 -5.401 -0.544 1.00 . A A . 58 LYS H1 1 1 17 6904 1 1 1 LYS H2 H 11.164 -6.432 -0.437 1.00 . A A . 58 LYS H2 1 1 17 6905 1 1 1 LYS H3 H 12.008 -5.991 0.967 1.00 . A A . 58 LYS H3 1 1 17 6906 1 1 1 LYS HA H 11.357 -3.690 0.665 1.00 . A A . 58 LYS HA 1 1 17 6907 1 1 1 LYS HB2 H 9.770 -4.823 -1.654 1.00 . A A . 58 LYS HB2 1 1 17 6908 1 1 1 LYS HB3 H 9.618 -3.182 -1.036 1.00 . A A . 58 LYS HB3 1 1 17 6909 1 1 1 LYS HD2 H 10.469 -4.113 -3.906 1.00 . A A . 58 LYS HD2 1 1 17 6910 1 1 1 LYS HD3 H 10.239 -2.425 -3.438 1.00 . A A . 58 LYS HD3 1 1 17 6911 1 1 1 LYS HE2 H 12.540 -1.921 -3.988 1.00 . A A . 58 LYS HE2 1 1 17 6912 1 1 1 LYS HE3 H 12.853 -3.615 -4.353 1.00 . A A . 58 LYS HE3 1 1 17 6913 1 1 1 LYS HG2 H 11.883 -2.679 -1.662 1.00 . A A . 58 LYS HG2 1 1 17 6914 1 1 1 LYS HG3 H 12.163 -4.352 -2.139 1.00 . A A . 58 LYS HG3 1 1 17 6915 1 1 1 LYS HZ1 H 11.237 -3.464 -6.167 1.00 . A A . 58 LYS HZ1 1 1 17 6916 1 1 1 LYS HZ2 H 12.516 -2.376 -6.371 1.00 . A A . 58 LYS HZ2 1 1 17 6917 1 1 1 LYS HZ3 H 11.008 -1.817 -5.840 1.00 . A A . 58 LYS HZ3 1 1 17 6918 1 1 1 LYS N N 11.681 -5.655 0.034 1.00 . A A . 58 LYS N 1 1 17 6919 1 1 1 LYS NZ N 11.689 -2.606 -5.783 1.00 . A A . 58 LYS NZ 1 1 17 6920 1 1 1 LYS O O 8.702 -5.561 0.720 1.00 . A A . 58 LYS O 1 1 17 6921 1 1 2 PRO C C 7.307 -4.154 3.205 1.00 . A A . 59 PRO C 1 1 17 6922 1 1 2 PRO CA C 8.700 -4.736 3.416 1.00 . A A . 59 PRO CA 1 1 17 6923 1 1 2 PRO CB C 9.312 -4.150 4.700 1.00 . A A . 59 PRO CB 1 1 17 6924 1 1 2 PRO CD C 10.673 -3.427 2.881 1.00 . A A . 59 PRO CD 1 1 17 6925 1 1 2 PRO CG C 10.707 -3.758 4.342 1.00 . A A . 59 PRO CG 1 1 17 6926 1 1 2 PRO HA H 8.624 -5.808 3.515 1.00 . A A . 59 PRO HA 1 1 17 6927 1 1 2 PRO HB2 H 8.732 -3.290 5.010 1.00 . A A . 59 PRO HB2 1 1 17 6928 1 1 2 PRO HB3 H 9.300 -4.899 5.480 1.00 . A A . 59 PRO HB3 1 1 17 6929 1 1 2 PRO HD2 H 10.365 -2.401 2.732 1.00 . A A . 59 PRO HD2 1 1 17 6930 1 1 2 PRO HD3 H 11.634 -3.608 2.427 1.00 . A A . 59 PRO HD3 1 1 17 6931 1 1 2 PRO HG2 H 11.003 -2.893 4.916 1.00 . A A . 59 PRO HG2 1 1 17 6932 1 1 2 PRO HG3 H 11.381 -4.583 4.524 1.00 . A A . 59 PRO HG3 1 1 17 6933 1 1 2 PRO N N 9.664 -4.363 2.369 1.00 . A A . 59 PRO N 1 1 17 6934 1 1 2 PRO O O 6.328 -4.639 3.779 1.00 . A A . 59 PRO O 1 1 17 6935 1 1 3 TYR C C 5.076 -3.051 1.163 1.00 . A A . 60 TYR C 1 1 17 6936 1 1 3 TYR CA C 5.957 -2.410 2.224 1.00 . A A . 60 TYR CA 1 1 17 6937 1 1 3 TYR CB C 6.233 -0.944 1.903 1.00 . A A . 60 TYR CB 1 1 17 6938 1 1 3 TYR CD1 C 6.330 0.004 4.222 1.00 . A A . 60 TYR CD1 1 1 17 6939 1 1 3 TYR CD2 C 8.292 0.139 2.880 1.00 . A A . 60 TYR CD2 1 1 17 6940 1 1 3 TYR CE1 C 6.990 0.625 5.261 1.00 . A A . 60 TYR CE1 1 1 17 6941 1 1 3 TYR CE2 C 8.964 0.758 3.917 1.00 . A A . 60 TYR CE2 1 1 17 6942 1 1 3 TYR CG C 6.966 -0.246 3.019 1.00 . A A . 60 TYR CG 1 1 17 6943 1 1 3 TYR CZ C 8.306 0.998 5.105 1.00 . A A . 60 TYR CZ 1 1 17 6944 1 1 3 TYR H H 7.994 -2.843 1.871 1.00 . A A . 60 TYR H 1 1 17 6945 1 1 3 TYR HA H 5.434 -2.460 3.169 1.00 . A A . 60 TYR HA 1 1 17 6946 1 1 3 TYR HB2 H 6.837 -0.879 1.011 1.00 . A A . 60 TYR HB2 1 1 17 6947 1 1 3 TYR HB3 H 5.296 -0.429 1.743 1.00 . A A . 60 TYR HB3 1 1 17 6948 1 1 3 TYR HD1 H 5.294 -0.292 4.335 1.00 . A A . 60 TYR HD1 1 1 17 6949 1 1 3 TYR HD2 H 8.801 -0.054 1.947 1.00 . A A . 60 TYR HD2 1 1 17 6950 1 1 3 TYR HE1 H 6.478 0.813 6.190 1.00 . A A . 60 TYR HE1 1 1 17 6951 1 1 3 TYR HE2 H 9.996 1.051 3.794 1.00 . A A . 60 TYR HE2 1 1 17 6952 1 1 3 TYR HH H 8.899 1.052 6.934 1.00 . A A . 60 TYR HH 1 1 17 6953 1 1 3 TYR N N 7.211 -3.124 2.385 1.00 . A A . 60 TYR N 1 1 17 6954 1 1 3 TYR O O 5.137 -2.713 -0.017 1.00 . A A . 60 TYR O 1 1 17 6955 1 1 3 TYR OH O 8.969 1.607 6.143 1.00 . A A . 60 TYR OH 1 1 17 6956 1 1 4 VAL C C 1.927 -4.595 1.334 1.00 . A A . 61 VAL C 1 1 17 6957 1 1 4 VAL CA C 3.317 -4.656 0.731 1.00 . A A . 61 VAL CA 1 1 17 6958 1 1 4 VAL CB C 3.700 -6.133 0.508 1.00 . A A . 61 VAL CB 1 1 17 6959 1 1 4 VAL CG1 C 2.780 -6.774 -0.510 1.00 . A A . 61 VAL CG1 1 1 17 6960 1 1 4 VAL CG2 C 5.144 -6.250 0.069 1.00 . A A . 61 VAL CG2 1 1 17 6961 1 1 4 VAL H H 4.294 -4.256 2.540 1.00 . A A . 61 VAL H 1 1 17 6962 1 1 4 VAL HA H 3.318 -4.149 -0.224 1.00 . A A . 61 VAL HA 1 1 17 6963 1 1 4 VAL HB H 3.587 -6.660 1.444 1.00 . A A . 61 VAL HB 1 1 17 6964 1 1 4 VAL HG11 H 2.899 -6.279 -1.465 1.00 . A A . 61 VAL HG11 1 1 17 6965 1 1 4 VAL HG12 H 1.761 -6.673 -0.176 1.00 . A A . 61 VAL HG12 1 1 17 6966 1 1 4 VAL HG13 H 3.026 -7.821 -0.610 1.00 . A A . 61 VAL HG13 1 1 17 6967 1 1 4 VAL HG21 H 5.785 -5.845 0.835 1.00 . A A . 61 VAL HG21 1 1 17 6968 1 1 4 VAL HG22 H 5.280 -5.694 -0.846 1.00 . A A . 61 VAL HG22 1 1 17 6969 1 1 4 VAL HG23 H 5.388 -7.288 -0.098 1.00 . A A . 61 VAL HG23 1 1 17 6970 1 1 4 VAL N N 4.257 -3.992 1.601 1.00 . A A . 61 VAL N 1 1 17 6971 1 1 4 VAL O O 1.760 -4.731 2.546 1.00 . A A . 61 VAL O 1 1 17 6972 1 1 5 CYS C C -0.835 -5.832 1.220 1.00 . A A . 62 CYS C 1 1 17 6973 1 1 5 CYS CA C -0.441 -4.397 0.937 1.00 . A A . 62 CYS CA 1 1 17 6974 1 1 5 CYS CB C -1.377 -3.814 -0.121 1.00 . A A . 62 CYS CB 1 1 17 6975 1 1 5 CYS H H 1.142 -4.203 -0.458 1.00 . A A . 62 CYS H 1 1 17 6976 1 1 5 CYS HA H -0.518 -3.819 1.846 1.00 . A A . 62 CYS HA 1 1 17 6977 1 1 5 CYS HB2 H -1.108 -2.797 -0.320 1.00 . A A . 62 CYS HB2 1 1 17 6978 1 1 5 CYS HB3 H -1.284 -4.390 -1.024 1.00 . A A . 62 CYS HB3 1 1 17 6979 1 1 5 CYS N N 0.938 -4.371 0.492 1.00 . A A . 62 CYS N 1 1 17 6980 1 1 5 CYS O O -1.121 -6.590 0.297 1.00 . A A . 62 CYS O 1 1 17 6981 1 1 5 CYS SG S -3.115 -3.800 0.337 1.00 . A A . 62 CYS SG 1 1 17 6982 1 1 6 GLU C C -2.644 -7.876 2.450 1.00 . A A . 63 GLU C 1 1 17 6983 1 1 6 GLU CA C -1.219 -7.557 2.896 1.00 . A A . 63 GLU CA 1 1 17 6984 1 1 6 GLU CB C -1.119 -7.712 4.416 1.00 . A A . 63 GLU CB 1 1 17 6985 1 1 6 GLU CD C 0.353 -7.690 6.461 1.00 . A A . 63 GLU CD 1 1 17 6986 1 1 6 GLU CG C 0.233 -7.328 4.995 1.00 . A A . 63 GLU CG 1 1 17 6987 1 1 6 GLU H H -0.576 -5.559 3.180 1.00 . A A . 63 GLU H 1 1 17 6988 1 1 6 GLU HA H -0.539 -8.249 2.423 1.00 . A A . 63 GLU HA 1 1 17 6989 1 1 6 GLU HB2 H -1.871 -7.090 4.880 1.00 . A A . 63 GLU HB2 1 1 17 6990 1 1 6 GLU HB3 H -1.315 -8.743 4.670 1.00 . A A . 63 GLU HB3 1 1 17 6991 1 1 6 GLU HG2 H 1.005 -7.845 4.445 1.00 . A A . 63 GLU HG2 1 1 17 6992 1 1 6 GLU HG3 H 0.369 -6.262 4.889 1.00 . A A . 63 GLU HG3 1 1 17 6993 1 1 6 GLU N N -0.845 -6.204 2.493 1.00 . A A . 63 GLU N 1 1 17 6994 1 1 6 GLU O O -3.053 -9.034 2.404 1.00 . A A . 63 GLU O 1 1 17 6995 1 1 6 GLU OE1 O -0.096 -6.904 7.316 1.00 . A A . 63 GLU OE1 1 1 17 6996 1 1 6 GLU OE2 O 0.897 -8.777 6.765 1.00 . A A . 63 GLU OE2 1 1 17 6997 1 1 7 ARG C C -5.048 -7.306 0.349 1.00 . A A . 64 ARG C 1 1 17 6998 1 1 7 ARG CA C -4.791 -6.974 1.817 1.00 . A A . 64 ARG CA 1 1 17 6999 1 1 7 ARG CB C -5.522 -5.707 2.251 1.00 . A A . 64 ARG CB 1 1 17 7000 1 1 7 ARG CD C -6.186 -4.349 4.280 1.00 . A A . 64 ARG CD 1 1 17 7001 1 1 7 ARG CG C -5.199 -5.337 3.691 1.00 . A A . 64 ARG CG 1 1 17 7002 1 1 7 ARG CZ C -6.739 -4.242 6.683 1.00 . A A . 64 ARG CZ 1 1 17 7003 1 1 7 ARG H H -2.985 -5.949 2.078 1.00 . A A . 64 ARG H 1 1 17 7004 1 1 7 ARG HA H -5.158 -7.796 2.413 1.00 . A A . 64 ARG HA 1 1 17 7005 1 1 7 ARG HB2 H -5.228 -4.889 1.609 1.00 . A A . 64 ARG HB2 1 1 17 7006 1 1 7 ARG HB3 H -6.582 -5.863 2.165 1.00 . A A . 64 ARG HB3 1 1 17 7007 1 1 7 ARG HD2 H -6.137 -3.426 3.718 1.00 . A A . 64 ARG HD2 1 1 17 7008 1 1 7 ARG HD3 H -7.184 -4.766 4.215 1.00 . A A . 64 ARG HD3 1 1 17 7009 1 1 7 ARG HE H -4.960 -3.761 5.887 1.00 . A A . 64 ARG HE 1 1 17 7010 1 1 7 ARG HG2 H -5.206 -6.233 4.291 1.00 . A A . 64 ARG HG2 1 1 17 7011 1 1 7 ARG HG3 H -4.209 -4.901 3.722 1.00 . A A . 64 ARG HG3 1 1 17 7012 1 1 7 ARG HH11 H -8.271 -4.873 5.513 1.00 . A A . 64 ARG HH11 1 1 17 7013 1 1 7 ARG HH12 H -8.625 -4.782 7.207 1.00 . A A . 64 ARG HH12 1 1 17 7014 1 1 7 ARG HH21 H -5.419 -3.682 8.112 1.00 . A A . 64 ARG HH21 1 1 17 7015 1 1 7 ARG HH22 H -6.995 -4.136 8.697 1.00 . A A . 64 ARG HH22 1 1 17 7016 1 1 7 ARG N N -3.390 -6.835 2.114 1.00 . A A . 64 ARG N 1 1 17 7017 1 1 7 ARG NE N -5.875 -4.076 5.679 1.00 . A A . 64 ARG NE 1 1 17 7018 1 1 7 ARG NH1 N -7.975 -4.671 6.448 1.00 . A A . 64 ARG NH1 1 1 17 7019 1 1 7 ARG NH2 N -6.352 -3.998 7.928 1.00 . A A . 64 ARG NH2 1 1 17 7020 1 1 7 ARG O O -5.967 -8.068 0.059 1.00 . A A . 64 ARG O 1 1 17 7021 1 1 8 CYS C C -3.210 -7.588 -2.696 1.00 . A A . 65 CYS C 1 1 17 7022 1 1 8 CYS CA C -4.497 -7.147 -1.994 1.00 . A A . 65 CYS CA 1 1 17 7023 1 1 8 CYS CB C -5.175 -6.014 -2.765 1.00 . A A . 65 CYS CB 1 1 17 7024 1 1 8 CYS H H -3.537 -6.133 -0.360 1.00 . A A . 65 CYS H 1 1 17 7025 1 1 8 CYS HA H -5.170 -7.993 -1.979 1.00 . A A . 65 CYS HA 1 1 17 7026 1 1 8 CYS HB2 H -5.533 -6.397 -3.713 1.00 . A A . 65 CYS HB2 1 1 17 7027 1 1 8 CYS HB3 H -6.015 -5.648 -2.186 1.00 . A A . 65 CYS HB3 1 1 17 7028 1 1 8 CYS N N -4.262 -6.771 -0.596 1.00 . A A . 65 CYS N 1 1 17 7029 1 1 8 CYS O O -3.209 -7.855 -3.898 1.00 . A A . 65 CYS O 1 1 17 7030 1 1 8 CYS SG S -4.102 -4.616 -3.114 1.00 . A A . 65 CYS SG 1 1 17 7031 1 1 9 GLY C C 0.003 -7.184 -3.180 1.00 . A A . 66 GLY C 1 1 17 7032 1 1 9 GLY CA C -0.879 -8.205 -2.480 1.00 . A A . 66 GLY CA 1 1 17 7033 1 1 9 GLY H H -2.141 -7.320 -1.026 1.00 . A A . 66 GLY H 1 1 17 7034 1 1 9 GLY HA2 H -0.318 -8.638 -1.663 1.00 . A A . 66 GLY HA2 1 1 17 7035 1 1 9 GLY HA3 H -1.129 -8.988 -3.185 1.00 . A A . 66 GLY HA3 1 1 17 7036 1 1 9 GLY N N -2.115 -7.651 -1.949 1.00 . A A . 66 GLY N 1 1 17 7037 1 1 9 GLY O O 1.179 -7.448 -3.424 1.00 . A A . 66 GLY O 1 1 17 7038 1 1 10 LYS C C 1.141 -4.255 -3.296 1.00 . A A . 67 LYS C 1 1 17 7039 1 1 10 LYS CA C 0.206 -5.005 -4.231 1.00 . A A . 67 LYS CA 1 1 17 7040 1 1 10 LYS CB C -0.751 -4.050 -4.931 1.00 . A A . 67 LYS CB 1 1 17 7041 1 1 10 LYS CD C -2.752 -3.896 -6.426 1.00 . A A . 67 LYS CD 1 1 17 7042 1 1 10 LYS CE C -3.502 -4.548 -7.571 1.00 . A A . 67 LYS CE 1 1 17 7043 1 1 10 LYS CG C -1.583 -4.745 -5.988 1.00 . A A . 67 LYS CG 1 1 17 7044 1 1 10 LYS H H -1.483 -5.841 -3.255 1.00 . A A . 67 LYS H 1 1 17 7045 1 1 10 LYS HA H 0.801 -5.510 -4.976 1.00 . A A . 67 LYS HA 1 1 17 7046 1 1 10 LYS HB2 H -1.420 -3.616 -4.200 1.00 . A A . 67 LYS HB2 1 1 17 7047 1 1 10 LYS HB3 H -0.184 -3.264 -5.406 1.00 . A A . 67 LYS HB3 1 1 17 7048 1 1 10 LYS HD2 H -3.424 -3.779 -5.587 1.00 . A A . 67 LYS HD2 1 1 17 7049 1 1 10 LYS HD3 H -2.387 -2.930 -6.741 1.00 . A A . 67 LYS HD3 1 1 17 7050 1 1 10 LYS HE2 H -3.945 -5.469 -7.219 1.00 . A A . 67 LYS HE2 1 1 17 7051 1 1 10 LYS HE3 H -4.282 -3.878 -7.898 1.00 . A A . 67 LYS HE3 1 1 17 7052 1 1 10 LYS HG2 H -0.961 -4.947 -6.847 1.00 . A A . 67 LYS HG2 1 1 17 7053 1 1 10 LYS HG3 H -1.956 -5.676 -5.584 1.00 . A A . 67 LYS HG3 1 1 17 7054 1 1 10 LYS HZ1 H -1.830 -5.477 -8.426 1.00 . A A . 67 LYS HZ1 1 1 17 7055 1 1 10 LYS HZ2 H -2.195 -3.966 -9.100 1.00 . A A . 67 LYS HZ2 1 1 17 7056 1 1 10 LYS HZ3 H -3.144 -5.314 -9.482 1.00 . A A . 67 LYS HZ3 1 1 17 7057 1 1 10 LYS N N -0.548 -6.021 -3.506 1.00 . A A . 67 LYS N 1 1 17 7058 1 1 10 LYS NZ N -2.606 -4.847 -8.723 1.00 . A A . 67 LYS NZ 1 1 17 7059 1 1 10 LYS O O 0.750 -3.857 -2.203 1.00 . A A . 67 LYS O 1 1 17 7060 1 1 11 ARG C C 3.870 -2.133 -3.356 1.00 . A A . 68 ARG C 1 1 17 7061 1 1 11 ARG CA C 3.396 -3.497 -2.863 1.00 . A A . 68 ARG CA 1 1 17 7062 1 1 11 ARG CB C 4.578 -4.449 -2.751 1.00 . A A . 68 ARG CB 1 1 17 7063 1 1 11 ARG CD C 6.418 -5.658 -3.926 1.00 . A A . 68 ARG CD 1 1 17 7064 1 1 11 ARG CG C 5.109 -4.909 -4.082 1.00 . A A . 68 ARG CG 1 1 17 7065 1 1 11 ARG CZ C 8.125 -6.378 -5.556 1.00 . A A . 68 ARG CZ 1 1 17 7066 1 1 11 ARG H H 2.628 -4.340 -4.627 1.00 . A A . 68 ARG H 1 1 17 7067 1 1 11 ARG HA H 2.965 -3.376 -1.887 1.00 . A A . 68 ARG HA 1 1 17 7068 1 1 11 ARG HB2 H 5.373 -3.949 -2.233 1.00 . A A . 68 ARG HB2 1 1 17 7069 1 1 11 ARG HB3 H 4.275 -5.323 -2.186 1.00 . A A . 68 ARG HB3 1 1 17 7070 1 1 11 ARG HD2 H 7.178 -4.964 -3.601 1.00 . A A . 68 ARG HD2 1 1 17 7071 1 1 11 ARG HD3 H 6.289 -6.425 -3.178 1.00 . A A . 68 ARG HD3 1 1 17 7072 1 1 11 ARG HE H 6.157 -6.682 -5.747 1.00 . A A . 68 ARG HE 1 1 17 7073 1 1 11 ARG HG2 H 4.381 -5.560 -4.541 1.00 . A A . 68 ARG HG2 1 1 17 7074 1 1 11 ARG HG3 H 5.267 -4.040 -4.701 1.00 . A A . 68 ARG HG3 1 1 17 7075 1 1 11 ARG HH11 H 8.851 -5.317 -3.997 1.00 . A A . 68 ARG HH11 1 1 17 7076 1 1 11 ARG HH12 H 10.048 -5.888 -5.120 1.00 . A A . 68 ARG HH12 1 1 17 7077 1 1 11 ARG HH21 H 7.699 -7.452 -7.217 1.00 . A A . 68 ARG HH21 1 1 17 7078 1 1 11 ARG HH22 H 9.387 -7.116 -6.963 1.00 . A A . 68 ARG HH22 1 1 17 7079 1 1 11 ARG N N 2.384 -4.074 -3.720 1.00 . A A . 68 ARG N 1 1 17 7080 1 1 11 ARG NE N 6.854 -6.283 -5.174 1.00 . A A . 68 ARG NE 1 1 17 7081 1 1 11 ARG NH1 N 9.082 -5.815 -4.832 1.00 . A A . 68 ARG NH1 1 1 17 7082 1 1 11 ARG NH2 N 8.432 -7.030 -6.668 1.00 . A A . 68 ARG NH2 1 1 17 7083 1 1 11 ARG O O 3.581 -1.719 -4.480 1.00 . A A . 68 ARG O 1 1 17 7084 1 1 12 PHE C C 6.479 0.001 -2.037 1.00 . A A . 69 PHE C 1 1 17 7085 1 1 12 PHE CA C 5.140 -0.132 -2.722 1.00 . A A . 69 PHE CA 1 1 17 7086 1 1 12 PHE CB C 4.169 0.921 -2.189 1.00 . A A . 69 PHE CB 1 1 17 7087 1 1 12 PHE CD1 C 3.392 2.319 -4.123 1.00 . A A . 69 PHE CD1 1 1 17 7088 1 1 12 PHE CD2 C 1.885 0.709 -3.213 1.00 . A A . 69 PHE CD2 1 1 17 7089 1 1 12 PHE CE1 C 2.441 2.690 -5.053 1.00 . A A . 69 PHE CE1 1 1 17 7090 1 1 12 PHE CE2 C 0.929 1.079 -4.143 1.00 . A A . 69 PHE CE2 1 1 17 7091 1 1 12 PHE CG C 3.125 1.324 -3.193 1.00 . A A . 69 PHE CG 1 1 17 7092 1 1 12 PHE CZ C 1.208 2.070 -5.062 1.00 . A A . 69 PHE CZ 1 1 17 7093 1 1 12 PHE H H 4.860 -1.902 -1.647 1.00 . A A . 69 PHE H 1 1 17 7094 1 1 12 PHE HA H 5.278 0.017 -3.781 1.00 . A A . 69 PHE HA 1 1 17 7095 1 1 12 PHE HB2 H 3.659 0.522 -1.323 1.00 . A A . 69 PHE HB2 1 1 17 7096 1 1 12 PHE HB3 H 4.721 1.807 -1.902 1.00 . A A . 69 PHE HB3 1 1 17 7097 1 1 12 PHE HD1 H 4.357 2.805 -4.118 1.00 . A A . 69 PHE HD1 1 1 17 7098 1 1 12 PHE HD2 H 1.666 -0.069 -2.497 1.00 . A A . 69 PHE HD2 1 1 17 7099 1 1 12 PHE HE1 H 2.662 3.467 -5.772 1.00 . A A . 69 PHE HE1 1 1 17 7100 1 1 12 PHE HE2 H -0.035 0.592 -4.149 1.00 . A A . 69 PHE HE2 1 1 17 7101 1 1 12 PHE HZ H 0.462 2.362 -5.787 1.00 . A A . 69 PHE HZ 1 1 17 7102 1 1 12 PHE N N 4.621 -1.466 -2.490 1.00 . A A . 69 PHE N 1 1 17 7103 1 1 12 PHE O O 6.780 -0.703 -1.079 1.00 . A A . 69 PHE O 1 1 17 7104 1 1 13 VAL C C 8.422 2.270 -0.961 1.00 . A A . 70 VAL C 1 1 17 7105 1 1 13 VAL CA C 8.576 1.166 -1.991 1.00 . A A . 70 VAL CA 1 1 17 7106 1 1 13 VAL CB C 9.567 1.582 -3.098 1.00 . A A . 70 VAL CB 1 1 17 7107 1 1 13 VAL CG1 C 10.595 2.564 -2.583 1.00 . A A . 70 VAL CG1 1 1 17 7108 1 1 13 VAL CG2 C 10.246 0.362 -3.689 1.00 . A A . 70 VAL CG2 1 1 17 7109 1 1 13 VAL H H 7.023 1.356 -3.369 1.00 . A A . 70 VAL H 1 1 17 7110 1 1 13 VAL HA H 8.945 0.272 -1.511 1.00 . A A . 70 VAL HA 1 1 17 7111 1 1 13 VAL HB H 9.008 2.067 -3.882 1.00 . A A . 70 VAL HB 1 1 17 7112 1 1 13 VAL HG11 H 10.088 3.455 -2.244 1.00 . A A . 70 VAL HG11 1 1 17 7113 1 1 13 VAL HG12 H 11.281 2.816 -3.374 1.00 . A A . 70 VAL HG12 1 1 17 7114 1 1 13 VAL HG13 H 11.134 2.121 -1.760 1.00 . A A . 70 VAL HG13 1 1 17 7115 1 1 13 VAL HG21 H 10.803 -0.148 -2.918 1.00 . A A . 70 VAL HG21 1 1 17 7116 1 1 13 VAL HG22 H 10.919 0.671 -4.476 1.00 . A A . 70 VAL HG22 1 1 17 7117 1 1 13 VAL HG23 H 9.498 -0.303 -4.094 1.00 . A A . 70 VAL HG23 1 1 17 7118 1 1 13 VAL N N 7.294 0.876 -2.566 1.00 . A A . 70 VAL N 1 1 17 7119 1 1 13 VAL O O 9.106 2.289 0.064 1.00 . A A . 70 VAL O 1 1 17 7120 1 1 14 GLN C C 6.249 3.950 0.663 1.00 . A A . 71 GLN C 1 1 17 7121 1 1 14 GLN CA C 7.273 4.302 -0.398 1.00 . A A . 71 GLN CA 1 1 17 7122 1 1 14 GLN CB C 6.769 5.414 -1.302 1.00 . A A . 71 GLN CB 1 1 17 7123 1 1 14 GLN CD C 6.675 4.577 -3.720 1.00 . A A . 71 GLN CD 1 1 17 7124 1 1 14 GLN CG C 7.428 5.403 -2.682 1.00 . A A . 71 GLN CG 1 1 17 7125 1 1 14 GLN H H 6.943 3.109 -2.040 1.00 . A A . 71 GLN H 1 1 17 7126 1 1 14 GLN HA H 8.205 4.593 0.062 1.00 . A A . 71 GLN HA 1 1 17 7127 1 1 14 GLN HB2 H 5.700 5.307 -1.430 1.00 . A A . 71 GLN HB2 1 1 17 7128 1 1 14 GLN HB3 H 6.982 6.352 -0.838 1.00 . A A . 71 GLN HB3 1 1 17 7129 1 1 14 GLN HE21 H 5.742 6.195 -4.383 1.00 . A A . 71 GLN HE21 1 1 17 7130 1 1 14 GLN HE22 H 5.339 4.714 -5.178 1.00 . A A . 71 GLN HE22 1 1 17 7131 1 1 14 GLN HG2 H 7.489 6.408 -3.035 1.00 . A A . 71 GLN HG2 1 1 17 7132 1 1 14 GLN HG3 H 8.425 4.999 -2.583 1.00 . A A . 71 GLN HG3 1 1 17 7133 1 1 14 GLN N N 7.494 3.179 -1.229 1.00 . A A . 71 GLN N 1 1 17 7134 1 1 14 GLN NE2 N 5.835 5.227 -4.503 1.00 . A A . 71 GLN NE2 1 1 17 7135 1 1 14 GLN O O 5.155 3.472 0.353 1.00 . A A . 71 GLN O 1 1 17 7136 1 1 14 GLN OE1 O 6.866 3.369 -3.835 1.00 . A A . 71 GLN OE1 1 1 17 7137 1 1 15 SER C C 4.469 4.697 2.955 1.00 . A A . 72 SER C 1 1 17 7138 1 1 15 SER CA C 5.744 3.875 3.034 1.00 . A A . 72 SER CA 1 1 17 7139 1 1 15 SER CB C 6.465 4.135 4.360 1.00 . A A . 72 SER CB 1 1 17 7140 1 1 15 SER H H 7.480 4.614 2.084 1.00 . A A . 72 SER H 1 1 17 7141 1 1 15 SER HA H 5.492 2.827 2.969 1.00 . A A . 72 SER HA 1 1 17 7142 1 1 15 SER HB2 H 7.426 3.640 4.348 1.00 . A A . 72 SER HB2 1 1 17 7143 1 1 15 SER HB3 H 6.607 5.196 4.489 1.00 . A A . 72 SER HB3 1 1 17 7144 1 1 15 SER HG H 6.131 3.907 6.282 1.00 . A A . 72 SER HG 1 1 17 7145 1 1 15 SER N N 6.608 4.198 1.913 1.00 . A A . 72 SER N 1 1 17 7146 1 1 15 SER O O 3.375 4.209 3.257 1.00 . A A . 72 SER O 1 1 17 7147 1 1 15 SER OG O 5.710 3.639 5.453 1.00 . A A . 72 SER OG 1 1 17 7148 1 1 16 SER C C 2.570 6.308 1.245 1.00 . A A . 73 SER C 1 1 17 7149 1 1 16 SER CA C 3.495 6.828 2.340 1.00 . A A . 73 SER CA 1 1 17 7150 1 1 16 SER CB C 3.981 8.243 2.002 1.00 . A A . 73 SER CB 1 1 17 7151 1 1 16 SER H H 5.522 6.255 2.278 1.00 . A A . 73 SER H 1 1 17 7152 1 1 16 SER HA H 2.950 6.855 3.272 1.00 . A A . 73 SER HA 1 1 17 7153 1 1 16 SER HB2 H 4.662 8.581 2.770 1.00 . A A . 73 SER HB2 1 1 17 7154 1 1 16 SER HB3 H 4.492 8.227 1.053 1.00 . A A . 73 SER HB3 1 1 17 7155 1 1 16 SER HG H 3.169 10.008 2.295 1.00 . A A . 73 SER HG 1 1 17 7156 1 1 16 SER N N 4.619 5.934 2.506 1.00 . A A . 73 SER N 1 1 17 7157 1 1 16 SER O O 1.352 6.344 1.390 1.00 . A A . 73 SER O 1 1 17 7158 1 1 16 SER OG O 2.898 9.155 1.922 1.00 . A A . 73 SER OG 1 1 17 7159 1 1 17 GLN C C 1.691 4.017 -0.681 1.00 . A A . 74 GLN C 1 1 17 7160 1 1 17 GLN CA C 2.344 5.352 -0.969 1.00 . A A . 74 GLN CA 1 1 17 7161 1 1 17 GLN CB C 3.195 5.287 -2.232 1.00 . A A . 74 GLN CB 1 1 17 7162 1 1 17 GLN CD C 2.760 7.710 -2.807 1.00 . A A . 74 GLN CD 1 1 17 7163 1 1 17 GLN CG C 3.800 6.630 -2.596 1.00 . A A . 74 GLN CG 1 1 17 7164 1 1 17 GLN H H 4.114 5.601 0.157 1.00 . A A . 74 GLN H 1 1 17 7165 1 1 17 GLN HA H 1.569 6.091 -1.106 1.00 . A A . 74 GLN HA 1 1 17 7166 1 1 17 GLN HB2 H 3.999 4.579 -2.074 1.00 . A A . 74 GLN HB2 1 1 17 7167 1 1 17 GLN HB3 H 2.582 4.953 -3.057 1.00 . A A . 74 GLN HB3 1 1 17 7168 1 1 17 GLN HE21 H 4.010 9.071 -2.076 1.00 . A A . 74 GLN HE21 1 1 17 7169 1 1 17 GLN HE22 H 2.452 9.659 -2.576 1.00 . A A . 74 GLN HE22 1 1 17 7170 1 1 17 GLN HG2 H 4.461 6.940 -1.801 1.00 . A A . 74 GLN HG2 1 1 17 7171 1 1 17 GLN HG3 H 4.368 6.516 -3.509 1.00 . A A . 74 GLN HG3 1 1 17 7172 1 1 17 GLN N N 3.144 5.766 0.168 1.00 . A A . 74 GLN N 1 1 17 7173 1 1 17 GLN NE2 N 3.107 8.935 -2.451 1.00 . A A . 74 GLN NE2 1 1 17 7174 1 1 17 GLN O O 0.671 3.673 -1.268 1.00 . A A . 74 GLN O 1 1 17 7175 1 1 17 GLN OE1 O 1.646 7.441 -3.258 1.00 . A A . 74 GLN OE1 1 1 17 7176 1 1 18 LEU C C 0.399 2.373 1.459 1.00 . A A . 75 LEU C 1 1 17 7177 1 1 18 LEU CA C 1.692 2.056 0.733 1.00 . A A . 75 LEU CA 1 1 17 7178 1 1 18 LEU CB C 2.673 1.357 1.682 1.00 . A A . 75 LEU CB 1 1 17 7179 1 1 18 LEU CD1 C 1.540 -0.842 1.672 1.00 . A A . 75 LEU CD1 1 1 17 7180 1 1 18 LEU CD2 C 3.080 -0.271 3.533 1.00 . A A . 75 LEU CD2 1 1 17 7181 1 1 18 LEU CG C 2.063 0.264 2.547 1.00 . A A . 75 LEU CG 1 1 17 7182 1 1 18 LEU H H 3.167 3.550 0.572 1.00 . A A . 75 LEU H 1 1 17 7183 1 1 18 LEU HA H 1.471 1.419 -0.106 1.00 . A A . 75 LEU HA 1 1 17 7184 1 1 18 LEU HB2 H 3.464 0.917 1.086 1.00 . A A . 75 LEU HB2 1 1 17 7185 1 1 18 LEU HB3 H 3.103 2.105 2.336 1.00 . A A . 75 LEU HB3 1 1 17 7186 1 1 18 LEU HD11 H 0.862 -0.421 0.945 1.00 . A A . 75 LEU HD11 1 1 17 7187 1 1 18 LEU HD12 H 1.020 -1.564 2.282 1.00 . A A . 75 LEU HD12 1 1 17 7188 1 1 18 LEU HD13 H 2.367 -1.316 1.169 1.00 . A A . 75 LEU HD13 1 1 17 7189 1 1 18 LEU HD21 H 3.919 -0.683 2.991 1.00 . A A . 75 LEU HD21 1 1 17 7190 1 1 18 LEU HD22 H 2.627 -1.040 4.137 1.00 . A A . 75 LEU HD22 1 1 17 7191 1 1 18 LEU HD23 H 3.419 0.533 4.167 1.00 . A A . 75 LEU HD23 1 1 17 7192 1 1 18 LEU HG H 1.235 0.673 3.105 1.00 . A A . 75 LEU HG 1 1 17 7193 1 1 18 LEU N N 2.289 3.275 0.233 1.00 . A A . 75 LEU N 1 1 17 7194 1 1 18 LEU O O -0.661 1.817 1.160 1.00 . A A . 75 LEU O 1 1 17 7195 1 1 19 ALA C C -1.597 4.453 2.125 1.00 . A A . 76 ALA C 1 1 17 7196 1 1 19 ALA CA C -0.663 3.778 3.111 1.00 . A A . 76 ALA CA 1 1 17 7197 1 1 19 ALA CB C -0.255 4.734 4.225 1.00 . A A . 76 ALA CB 1 1 17 7198 1 1 19 ALA H H 1.393 3.574 2.679 1.00 . A A . 76 ALA H 1 1 17 7199 1 1 19 ALA HA H -1.190 2.937 3.551 1.00 . A A . 76 ALA HA 1 1 17 7200 1 1 19 ALA HB1 H 0.239 5.596 3.800 1.00 . A A . 76 ALA HB1 1 1 17 7201 1 1 19 ALA HB2 H 0.417 4.233 4.904 1.00 . A A . 76 ALA HB2 1 1 17 7202 1 1 19 ALA HB3 H -1.133 5.055 4.765 1.00 . A A . 76 ALA HB3 1 1 17 7203 1 1 19 ALA N N 0.503 3.269 2.418 1.00 . A A . 76 ALA N 1 1 17 7204 1 1 19 ALA O O -2.802 4.291 2.219 1.00 . A A . 76 ALA O 1 1 17 7205 1 1 20 ASN C C -2.660 4.719 -0.601 1.00 . A A . 77 ASN C 1 1 17 7206 1 1 20 ASN CA C -1.854 5.798 0.115 1.00 . A A . 77 ASN CA 1 1 17 7207 1 1 20 ASN CB C -0.972 6.557 -0.884 1.00 . A A . 77 ASN CB 1 1 17 7208 1 1 20 ASN CG C -1.772 7.242 -1.981 1.00 . A A . 77 ASN CG 1 1 17 7209 1 1 20 ASN H H -0.056 5.326 1.162 1.00 . A A . 77 ASN H 1 1 17 7210 1 1 20 ASN HA H -2.539 6.491 0.585 1.00 . A A . 77 ASN HA 1 1 17 7211 1 1 20 ASN HB2 H -0.408 7.309 -0.355 1.00 . A A . 77 ASN HB2 1 1 17 7212 1 1 20 ASN HB3 H -0.287 5.862 -1.349 1.00 . A A . 77 ASN HB3 1 1 17 7213 1 1 20 ASN HD21 H -0.244 7.039 -3.245 1.00 . A A . 77 ASN HD21 1 1 17 7214 1 1 20 ASN HD22 H -1.668 7.812 -3.885 1.00 . A A . 77 ASN HD22 1 1 17 7215 1 1 20 ASN N N -1.039 5.185 1.164 1.00 . A A . 77 ASN N 1 1 17 7216 1 1 20 ASN ND2 N -1.171 7.380 -3.153 1.00 . A A . 77 ASN ND2 1 1 17 7217 1 1 20 ASN O O -3.869 4.861 -0.812 1.00 . A A . 77 ASN O 1 1 17 7218 1 1 20 ASN OD1 O -2.914 7.657 -1.777 1.00 . A A . 77 ASN OD1 1 1 17 7219 1 1 21 HIS C C -3.786 1.953 -0.757 1.00 . A A . 78 HIS C 1 1 17 7220 1 1 21 HIS CA C -2.617 2.491 -1.585 1.00 . A A . 78 HIS CA 1 1 17 7221 1 1 21 HIS CB C -1.559 1.403 -1.806 1.00 . A A . 78 HIS CB 1 1 17 7222 1 1 21 HIS CD2 C -2.301 -1.055 -1.633 1.00 . A A . 78 HIS CD2 1 1 17 7223 1 1 21 HIS CE1 C -2.868 -1.408 -3.691 1.00 . A A . 78 HIS CE1 1 1 17 7224 1 1 21 HIS CG C -2.086 0.098 -2.304 1.00 . A A . 78 HIS CG 1 1 17 7225 1 1 21 HIS H H -1.019 3.559 -0.702 1.00 . A A . 78 HIS H 1 1 17 7226 1 1 21 HIS HA H -2.987 2.825 -2.542 1.00 . A A . 78 HIS HA 1 1 17 7227 1 1 21 HIS HB2 H -0.837 1.756 -2.527 1.00 . A A . 78 HIS HB2 1 1 17 7228 1 1 21 HIS HB3 H -1.055 1.217 -0.864 1.00 . A A . 78 HIS HB3 1 1 17 7229 1 1 21 HIS HD1 H -2.431 0.516 -4.348 1.00 . A A . 78 HIS HD1 1 1 17 7230 1 1 21 HIS HD2 H -2.116 -1.216 -0.584 1.00 . A A . 78 HIS HD2 1 1 17 7231 1 1 21 HIS HE1 H -3.215 -1.880 -4.599 1.00 . A A . 78 HIS HE1 1 1 17 7232 1 1 21 HIS N N -1.988 3.619 -0.924 1.00 . A A . 78 HIS N 1 1 17 7233 1 1 21 HIS ND1 N -2.452 -0.141 -3.608 1.00 . A A . 78 HIS ND1 1 1 17 7234 1 1 21 HIS NE2 N -2.799 -2.014 -2.511 1.00 . A A . 78 HIS NE2 1 1 17 7235 1 1 21 HIS O O -4.910 1.829 -1.247 1.00 . A A . 78 HIS O 1 1 17 7236 1 1 22 ILE C C -5.542 2.025 1.872 1.00 . A A . 79 ILE C 1 1 17 7237 1 1 22 ILE CA C -4.485 1.029 1.380 1.00 . A A . 79 ILE CA 1 1 17 7238 1 1 22 ILE CB C -3.756 0.360 2.552 1.00 . A A . 79 ILE CB 1 1 17 7239 1 1 22 ILE CD1 C -2.057 -1.473 3.016 1.00 . A A . 79 ILE CD1 1 1 17 7240 1 1 22 ILE CG1 C -2.790 -0.673 1.979 1.00 . A A . 79 ILE CG1 1 1 17 7241 1 1 22 ILE CG2 C -4.739 -0.289 3.514 1.00 . A A . 79 ILE CG2 1 1 17 7242 1 1 22 ILE H H -2.619 1.861 0.858 1.00 . A A . 79 ILE H 1 1 17 7243 1 1 22 ILE HA H -4.982 0.244 0.818 1.00 . A A . 79 ILE HA 1 1 17 7244 1 1 22 ILE HB H -3.199 1.111 3.086 1.00 . A A . 79 ILE HB 1 1 17 7245 1 1 22 ILE HD11 H -1.458 -2.229 2.524 1.00 . A A . 79 ILE HD11 1 1 17 7246 1 1 22 ILE HD12 H -2.777 -1.944 3.669 1.00 . A A . 79 ILE HD12 1 1 17 7247 1 1 22 ILE HD13 H -1.419 -0.815 3.586 1.00 . A A . 79 ILE HD13 1 1 17 7248 1 1 22 ILE HG12 H -3.343 -1.368 1.360 1.00 . A A . 79 ILE HG12 1 1 17 7249 1 1 22 ILE HG13 H -2.053 -0.162 1.370 1.00 . A A . 79 ILE HG13 1 1 17 7250 1 1 22 ILE HG21 H -5.318 -1.033 2.989 1.00 . A A . 79 ILE HG21 1 1 17 7251 1 1 22 ILE HG22 H -5.399 0.468 3.914 1.00 . A A . 79 ILE HG22 1 1 17 7252 1 1 22 ILE HG23 H -4.197 -0.758 4.319 1.00 . A A . 79 ILE HG23 1 1 17 7253 1 1 22 ILE N N -3.513 1.656 0.502 1.00 . A A . 79 ILE N 1 1 17 7254 1 1 22 ILE O O -6.648 1.632 2.239 1.00 . A A . 79 ILE O 1 1 17 7255 1 1 23 ARG C C -7.324 4.354 1.138 1.00 . A A . 80 ARG C 1 1 17 7256 1 1 23 ARG CA C -6.196 4.342 2.164 1.00 . A A . 80 ARG CA 1 1 17 7257 1 1 23 ARG CB C -5.499 5.689 2.190 1.00 . A A . 80 ARG CB 1 1 17 7258 1 1 23 ARG CD C -5.907 6.354 4.589 1.00 . A A . 80 ARG CD 1 1 17 7259 1 1 23 ARG CG C -4.864 6.039 3.527 1.00 . A A . 80 ARG CG 1 1 17 7260 1 1 23 ARG CZ C -7.802 5.031 5.463 1.00 . A A . 80 ARG CZ 1 1 17 7261 1 1 23 ARG H H -4.290 3.592 1.695 1.00 . A A . 80 ARG H 1 1 17 7262 1 1 23 ARG HA H -6.609 4.140 3.142 1.00 . A A . 80 ARG HA 1 1 17 7263 1 1 23 ARG HB2 H -4.719 5.686 1.441 1.00 . A A . 80 ARG HB2 1 1 17 7264 1 1 23 ARG HB3 H -6.208 6.441 1.941 1.00 . A A . 80 ARG HB3 1 1 17 7265 1 1 23 ARG HD2 H -5.437 6.916 5.382 1.00 . A A . 80 ARG HD2 1 1 17 7266 1 1 23 ARG HD3 H -6.687 6.953 4.141 1.00 . A A . 80 ARG HD3 1 1 17 7267 1 1 23 ARG HE H -5.901 4.396 5.369 1.00 . A A . 80 ARG HE 1 1 17 7268 1 1 23 ARG HG2 H -4.273 5.199 3.862 1.00 . A A . 80 ARG HG2 1 1 17 7269 1 1 23 ARG HG3 H -4.225 6.893 3.393 1.00 . A A . 80 ARG HG3 1 1 17 7270 1 1 23 ARG HH11 H -8.335 6.816 4.666 1.00 . A A . 80 ARG HH11 1 1 17 7271 1 1 23 ARG HH12 H -9.638 5.891 5.351 1.00 . A A . 80 ARG HH12 1 1 17 7272 1 1 23 ARG HH21 H -7.614 3.186 6.295 1.00 . A A . 80 ARG HH21 1 1 17 7273 1 1 23 ARG HH22 H -9.219 3.855 6.320 1.00 . A A . 80 ARG HH22 1 1 17 7274 1 1 23 ARG N N -5.221 3.315 1.865 1.00 . A A . 80 ARG N 1 1 17 7275 1 1 23 ARG NE N -6.509 5.149 5.162 1.00 . A A . 80 ARG NE 1 1 17 7276 1 1 23 ARG NH1 N -8.656 5.992 5.138 1.00 . A A . 80 ARG NH1 1 1 17 7277 1 1 23 ARG NH2 N -8.248 3.935 6.066 1.00 . A A . 80 ARG NH2 1 1 17 7278 1 1 23 ARG O O -8.393 4.911 1.382 1.00 . A A . 80 ARG O 1 1 17 7279 1 1 24 HIS C C -8.757 2.253 -1.001 1.00 . A A . 81 HIS C 1 1 17 7280 1 1 24 HIS CA C -8.099 3.624 -1.049 1.00 . A A . 81 HIS CA 1 1 17 7281 1 1 24 HIS CB C -7.498 3.879 -2.435 1.00 . A A . 81 HIS CB 1 1 17 7282 1 1 24 HIS CD2 C -7.910 6.383 -2.985 1.00 . A A . 81 HIS CD2 1 1 17 7283 1 1 24 HIS CE1 C -5.841 7.084 -2.855 1.00 . A A . 81 HIS CE1 1 1 17 7284 1 1 24 HIS CG C -7.137 5.314 -2.672 1.00 . A A . 81 HIS CG 1 1 17 7285 1 1 24 HIS H H -6.193 3.347 -0.165 1.00 . A A . 81 HIS H 1 1 17 7286 1 1 24 HIS HA H -8.853 4.369 -0.851 1.00 . A A . 81 HIS HA 1 1 17 7287 1 1 24 HIS HB2 H -6.601 3.287 -2.544 1.00 . A A . 81 HIS HB2 1 1 17 7288 1 1 24 HIS HB3 H -8.214 3.584 -3.191 1.00 . A A . 81 HIS HB3 1 1 17 7289 1 1 24 HIS HD1 H -5.047 5.257 -2.383 1.00 . A A . 81 HIS HD1 1 1 17 7290 1 1 24 HIS HD2 H -8.981 6.383 -3.123 1.00 . A A . 81 HIS HD2 1 1 17 7291 1 1 24 HIS HE1 H -4.971 7.720 -2.871 1.00 . A A . 81 HIS HE1 1 1 17 7292 1 1 24 HIS HE2 H -7.379 8.412 -3.117 1.00 . A A . 81 HIS HE2 1 1 17 7293 1 1 24 HIS N N -7.080 3.739 -0.011 1.00 . A A . 81 HIS N 1 1 17 7294 1 1 24 HIS ND1 N -5.845 5.790 -2.600 1.00 . A A . 81 HIS ND1 1 1 17 7295 1 1 24 HIS NE2 N -7.079 7.470 -3.091 1.00 . A A . 81 HIS NE2 1 1 17 7296 1 1 24 HIS O O -9.376 1.810 -1.966 1.00 . A A . 81 HIS O 1 1 17 7297 1 1 25 HIS C C -10.538 0.486 1.161 1.00 . A A . 82 HIS C 1 1 17 7298 1 1 25 HIS CA C -9.263 0.304 0.356 1.00 . A A . 82 HIS CA 1 1 17 7299 1 1 25 HIS CB C -8.326 -0.670 1.074 1.00 . A A . 82 HIS CB 1 1 17 7300 1 1 25 HIS CD2 C -6.507 -2.315 0.341 1.00 . A A . 82 HIS CD2 1 1 17 7301 1 1 25 HIS CE1 C -7.239 -2.858 -1.612 1.00 . A A . 82 HIS CE1 1 1 17 7302 1 1 25 HIS CG C -7.660 -1.645 0.166 1.00 . A A . 82 HIS CG 1 1 17 7303 1 1 25 HIS H H -8.059 1.966 0.848 1.00 . A A . 82 HIS H 1 1 17 7304 1 1 25 HIS HA H -9.522 -0.106 -0.609 1.00 . A A . 82 HIS HA 1 1 17 7305 1 1 25 HIS HB2 H -7.545 -0.107 1.571 1.00 . A A . 82 HIS HB2 1 1 17 7306 1 1 25 HIS HB3 H -8.878 -1.222 1.811 1.00 . A A . 82 HIS HB3 1 1 17 7307 1 1 25 HIS HD1 H -8.959 -1.693 -1.506 1.00 . A A . 82 HIS HD1 1 1 17 7308 1 1 25 HIS HD2 H -5.878 -2.269 1.220 1.00 . A A . 82 HIS HD2 1 1 17 7309 1 1 25 HIS HE1 H -7.331 -3.309 -2.589 1.00 . A A . 82 HIS HE1 1 1 17 7310 1 1 25 HIS N N -8.614 1.584 0.134 1.00 . A A . 82 HIS N 1 1 17 7311 1 1 25 HIS ND1 N -8.125 -2.001 -1.082 1.00 . A A . 82 HIS ND1 1 1 17 7312 1 1 25 HIS NE2 N -6.236 -3.075 -0.785 1.00 . A A . 82 HIS NE2 1 1 17 7313 1 1 25 HIS O O -10.575 0.207 2.358 1.00 . A A . 82 HIS O 1 1 17 7314 1 1 26 ASP C C -13.535 -0.260 1.225 1.00 . A A . 83 ASP C 1 1 17 7315 1 1 26 ASP CA C -12.883 1.109 1.118 1.00 . A A . 83 ASP CA 1 1 17 7316 1 1 26 ASP CB C -13.778 2.046 0.312 1.00 . A A . 83 ASP CB 1 1 17 7317 1 1 26 ASP CG C -15.174 2.140 0.893 1.00 . A A . 83 ASP CG 1 1 17 7318 1 1 26 ASP H H -11.443 1.289 -0.422 1.00 . A A . 83 ASP H 1 1 17 7319 1 1 26 ASP HA H -12.749 1.513 2.110 1.00 . A A . 83 ASP HA 1 1 17 7320 1 1 26 ASP HB2 H -13.344 3.037 0.304 1.00 . A A . 83 ASP HB2 1 1 17 7321 1 1 26 ASP HB3 H -13.855 1.675 -0.704 1.00 . A A . 83 ASP HB3 1 1 17 7322 1 1 26 ASP N N -11.569 0.989 0.503 1.00 . A A . 83 ASP N 1 1 17 7323 1 1 26 ASP O O -13.880 -0.678 2.347 1.00 . A A . 83 ASP O 1 1 17 7324 1 1 26 ASP OXT O -13.671 -0.933 0.184 1.00 . A A . 83 ASP OXT 1 1 17 7325 1 1 26 ASP OD1 O -15.381 2.937 1.836 1.00 . A A . 83 ASP OD1 1 1 17 7326 1 1 26 ASP OD2 O -16.069 1.416 0.414 1.00 . A A . 83 ASP OD2 1 1 17 7327 2 2 1 ZN ZN ZN -4.356 -3.045 -1.455 1.00 . B A . 101 ZN ZN 1 1 18 7328 1 1 1 LYS C C 10.046 -3.753 0.781 1.00 . A A . 58 LYS C 1 1 18 7329 1 1 1 LYS CA C 11.145 -2.808 0.308 1.00 . A A . 58 LYS CA 1 1 18 7330 1 1 1 LYS CB C 10.595 -1.381 0.202 1.00 . A A . 58 LYS CB 1 1 18 7331 1 1 1 LYS CD C 12.713 -0.232 0.956 1.00 . A A . 58 LYS CD 1 1 18 7332 1 1 1 LYS CE C 12.134 0.262 2.273 1.00 . A A . 58 LYS CE 1 1 18 7333 1 1 1 LYS CG C 11.648 -0.331 -0.129 1.00 . A A . 58 LYS CG 1 1 18 7334 1 1 1 LYS H1 H 12.388 -2.581 -1.351 1.00 . A A . 58 LYS H1 1 1 18 7335 1 1 1 LYS H2 H 10.905 -3.327 -1.696 1.00 . A A . 58 LYS H2 1 1 18 7336 1 1 1 LYS H3 H 12.124 -4.192 -0.904 1.00 . A A . 58 LYS H3 1 1 18 7337 1 1 1 LYS HA H 11.952 -2.826 1.026 1.00 . A A . 58 LYS HA 1 1 18 7338 1 1 1 LYS HB2 H 9.843 -1.356 -0.573 1.00 . A A . 58 LYS HB2 1 1 18 7339 1 1 1 LYS HB3 H 10.136 -1.114 1.143 1.00 . A A . 58 LYS HB3 1 1 18 7340 1 1 1 LYS HD2 H 13.144 -1.210 1.110 1.00 . A A . 58 LYS HD2 1 1 18 7341 1 1 1 LYS HD3 H 13.480 0.454 0.629 1.00 . A A . 58 LYS HD3 1 1 18 7342 1 1 1 LYS HE2 H 11.706 1.242 2.119 1.00 . A A . 58 LYS HE2 1 1 18 7343 1 1 1 LYS HE3 H 11.359 -0.421 2.591 1.00 . A A . 58 LYS HE3 1 1 18 7344 1 1 1 LYS HG2 H 12.125 -0.597 -1.060 1.00 . A A . 58 LYS HG2 1 1 18 7345 1 1 1 LYS HG3 H 11.162 0.629 -0.233 1.00 . A A . 58 LYS HG3 1 1 18 7346 1 1 1 LYS HZ1 H 13.628 -0.579 3.469 1.00 . A A . 58 LYS HZ1 1 1 18 7347 1 1 1 LYS HZ2 H 12.729 0.638 4.237 1.00 . A A . 58 LYS HZ2 1 1 18 7348 1 1 1 LYS HZ3 H 13.891 1.054 3.080 1.00 . A A . 58 LYS HZ3 1 1 18 7349 1 1 1 LYS N N 11.676 -3.257 -1.000 1.00 . A A . 58 LYS N 1 1 18 7350 1 1 1 LYS NZ N 13.168 0.351 3.337 1.00 . A A . 58 LYS NZ 1 1 18 7351 1 1 1 LYS O O 9.227 -4.200 -0.021 1.00 . A A . 58 LYS O 1 1 18 7352 1 1 2 PRO C C 7.651 -4.327 2.884 1.00 . A A . 59 PRO C 1 1 18 7353 1 1 2 PRO CA C 9.021 -4.979 2.682 1.00 . A A . 59 PRO CA 1 1 18 7354 1 1 2 PRO CB C 9.629 -5.347 4.046 1.00 . A A . 59 PRO CB 1 1 18 7355 1 1 2 PRO CD C 10.930 -3.559 3.112 1.00 . A A . 59 PRO CD 1 1 18 7356 1 1 2 PRO CG C 10.973 -4.691 4.094 1.00 . A A . 59 PRO CG 1 1 18 7357 1 1 2 PRO HA H 8.908 -5.871 2.086 1.00 . A A . 59 PRO HA 1 1 18 7358 1 1 2 PRO HB2 H 8.987 -4.979 4.837 1.00 . A A . 59 PRO HB2 1 1 18 7359 1 1 2 PRO HB3 H 9.716 -6.421 4.118 1.00 . A A . 59 PRO HB3 1 1 18 7360 1 1 2 PRO HD2 H 10.543 -2.664 3.579 1.00 . A A . 59 PRO HD2 1 1 18 7361 1 1 2 PRO HD3 H 11.909 -3.380 2.694 1.00 . A A . 59 PRO HD3 1 1 18 7362 1 1 2 PRO HG2 H 11.162 -4.315 5.088 1.00 . A A . 59 PRO HG2 1 1 18 7363 1 1 2 PRO HG3 H 11.735 -5.401 3.810 1.00 . A A . 59 PRO HG3 1 1 18 7364 1 1 2 PRO N N 10.007 -4.061 2.091 1.00 . A A . 59 PRO N 1 1 18 7365 1 1 2 PRO O O 6.929 -4.642 3.835 1.00 . A A . 59 PRO O 1 1 18 7366 1 1 3 TYR C C 5.042 -3.272 1.075 1.00 . A A . 60 TYR C 1 1 18 7367 1 1 3 TYR CA C 6.040 -2.707 2.067 1.00 . A A . 60 TYR CA 1 1 18 7368 1 1 3 TYR CB C 6.256 -1.216 1.808 1.00 . A A . 60 TYR CB 1 1 18 7369 1 1 3 TYR CD1 C 8.377 -0.703 3.052 1.00 . A A . 60 TYR CD1 1 1 18 7370 1 1 3 TYR CD2 C 6.369 0.346 3.790 1.00 . A A . 60 TYR CD2 1 1 18 7371 1 1 3 TYR CE1 C 9.081 -0.070 4.054 1.00 . A A . 60 TYR CE1 1 1 18 7372 1 1 3 TYR CE2 C 7.068 0.985 4.792 1.00 . A A . 60 TYR CE2 1 1 18 7373 1 1 3 TYR CG C 7.013 -0.509 2.904 1.00 . A A . 60 TYR CG 1 1 18 7374 1 1 3 TYR CZ C 8.389 0.811 4.917 1.00 . A A . 60 TYR CZ 1 1 18 7375 1 1 3 TYR H H 7.891 -3.260 1.222 1.00 . A A . 60 TYR H 1 1 18 7376 1 1 3 TYR HA H 5.648 -2.837 3.066 1.00 . A A . 60 TYR HA 1 1 18 7377 1 1 3 TYR HB2 H 6.813 -1.093 0.891 1.00 . A A . 60 TYR HB2 1 1 18 7378 1 1 3 TYR HB3 H 5.295 -0.734 1.705 1.00 . A A . 60 TYR HB3 1 1 18 7379 1 1 3 TYR HD1 H 8.889 -1.368 2.367 1.00 . A A . 60 TYR HD1 1 1 18 7380 1 1 3 TYR HD2 H 5.308 0.514 3.684 1.00 . A A . 60 TYR HD2 1 1 18 7381 1 1 3 TYR HE1 H 10.145 -0.231 4.153 1.00 . A A . 60 TYR HE1 1 1 18 7382 1 1 3 TYR HE2 H 6.553 1.646 5.472 1.00 . A A . 60 TYR HE2 1 1 18 7383 1 1 3 TYR HH H 9.959 1.719 5.581 1.00 . A A . 60 TYR HH 1 1 18 7384 1 1 3 TYR N N 7.297 -3.428 1.981 1.00 . A A . 60 TYR N 1 1 18 7385 1 1 3 TYR O O 5.047 -2.920 -0.105 1.00 . A A . 60 TYR O 1 1 18 7386 1 1 3 TYR OH O 9.113 1.400 5.927 1.00 . A A . 60 TYR OH 1 1 18 7387 1 1 4 VAL C C 1.820 -4.556 1.292 1.00 . A A . 61 VAL C 1 1 18 7388 1 1 4 VAL CA C 3.207 -4.788 0.716 1.00 . A A . 61 VAL CA 1 1 18 7389 1 1 4 VAL CB C 3.467 -6.304 0.569 1.00 . A A . 61 VAL CB 1 1 18 7390 1 1 4 VAL CG1 C 3.521 -6.977 1.924 1.00 . A A . 61 VAL CG1 1 1 18 7391 1 1 4 VAL CG2 C 2.407 -6.956 -0.300 1.00 . A A . 61 VAL CG2 1 1 18 7392 1 1 4 VAL H H 4.240 -4.405 2.498 1.00 . A A . 61 VAL H 1 1 18 7393 1 1 4 VAL HA H 3.261 -4.335 -0.264 1.00 . A A . 61 VAL HA 1 1 18 7394 1 1 4 VAL HB H 4.425 -6.438 0.088 1.00 . A A . 61 VAL HB 1 1 18 7395 1 1 4 VAL HG11 H 3.651 -8.041 1.791 1.00 . A A . 61 VAL HG11 1 1 18 7396 1 1 4 VAL HG12 H 2.597 -6.788 2.452 1.00 . A A . 61 VAL HG12 1 1 18 7397 1 1 4 VAL HG13 H 4.349 -6.579 2.489 1.00 . A A . 61 VAL HG13 1 1 18 7398 1 1 4 VAL HG21 H 1.434 -6.784 0.138 1.00 . A A . 61 VAL HG21 1 1 18 7399 1 1 4 VAL HG22 H 2.592 -8.017 -0.360 1.00 . A A . 61 VAL HG22 1 1 18 7400 1 1 4 VAL HG23 H 2.439 -6.525 -1.289 1.00 . A A . 61 VAL HG23 1 1 18 7401 1 1 4 VAL N N 4.201 -4.164 1.552 1.00 . A A . 61 VAL N 1 1 18 7402 1 1 4 VAL O O 1.624 -4.575 2.509 1.00 . A A . 61 VAL O 1 1 18 7403 1 1 5 CYS C C -1.017 -5.590 1.136 1.00 . A A . 62 CYS C 1 1 18 7404 1 1 5 CYS CA C -0.513 -4.201 0.807 1.00 . A A . 62 CYS CA 1 1 18 7405 1 1 5 CYS CB C -1.343 -3.629 -0.338 1.00 . A A . 62 CYS CB 1 1 18 7406 1 1 5 CYS H H 1.117 -4.175 -0.528 1.00 . A A . 62 CYS H 1 1 18 7407 1 1 5 CYS HA H -0.592 -3.564 1.675 1.00 . A A . 62 CYS HA 1 1 18 7408 1 1 5 CYS HB2 H -0.884 -2.736 -0.699 1.00 . A A . 62 CYS HB2 1 1 18 7409 1 1 5 CYS HB3 H -1.380 -4.354 -1.129 1.00 . A A . 62 CYS HB3 1 1 18 7410 1 1 5 CYS N N 0.874 -4.296 0.416 1.00 . A A . 62 CYS N 1 1 18 7411 1 1 5 CYS O O -1.417 -6.323 0.241 1.00 . A A . 62 CYS O 1 1 18 7412 1 1 5 CYS SG S -3.033 -3.204 0.081 1.00 . A A . 62 CYS SG 1 1 18 7413 1 1 6 GLU C C -2.919 -7.486 2.495 1.00 . A A . 63 GLU C 1 1 18 7414 1 1 6 GLU CA C -1.444 -7.281 2.823 1.00 . A A . 63 GLU CA 1 1 18 7415 1 1 6 GLU CB C -1.213 -7.474 4.318 1.00 . A A . 63 GLU CB 1 1 18 7416 1 1 6 GLU CD C 0.435 -7.659 6.204 1.00 . A A . 63 GLU CD 1 1 18 7417 1 1 6 GLU CG C 0.251 -7.454 4.719 1.00 . A A . 63 GLU CG 1 1 18 7418 1 1 6 GLU H H -0.672 -5.324 3.086 1.00 . A A . 63 GLU H 1 1 18 7419 1 1 6 GLU HA H -0.863 -8.014 2.282 1.00 . A A . 63 GLU HA 1 1 18 7420 1 1 6 GLU HB2 H -1.721 -6.683 4.852 1.00 . A A . 63 GLU HB2 1 1 18 7421 1 1 6 GLU HB3 H -1.633 -8.423 4.616 1.00 . A A . 63 GLU HB3 1 1 18 7422 1 1 6 GLU HG2 H 0.770 -8.242 4.194 1.00 . A A . 63 GLU HG2 1 1 18 7423 1 1 6 GLU HG3 H 0.674 -6.498 4.445 1.00 . A A . 63 GLU HG3 1 1 18 7424 1 1 6 GLU N N -0.997 -5.956 2.407 1.00 . A A . 63 GLU N 1 1 18 7425 1 1 6 GLU O O -3.448 -8.591 2.612 1.00 . A A . 63 GLU O 1 1 18 7426 1 1 6 GLU OE1 O 0.341 -8.819 6.662 1.00 . A A . 63 GLU OE1 1 1 18 7427 1 1 6 GLU OE2 O 0.654 -6.663 6.925 1.00 . A A . 63 GLU OE2 1 1 18 7428 1 1 7 ARG C C -5.135 -6.936 0.256 1.00 . A A . 64 ARG C 1 1 18 7429 1 1 7 ARG CA C -4.964 -6.466 1.703 1.00 . A A . 64 ARG CA 1 1 18 7430 1 1 7 ARG CB C -5.617 -5.107 1.912 1.00 . A A . 64 ARG CB 1 1 18 7431 1 1 7 ARG CD C -6.332 -3.379 3.600 1.00 . A A . 64 ARG CD 1 1 18 7432 1 1 7 ARG CG C -5.477 -4.607 3.335 1.00 . A A . 64 ARG CG 1 1 18 7433 1 1 7 ARG CZ C -8.701 -2.925 4.133 1.00 . A A . 64 ARG CZ 1 1 18 7434 1 1 7 ARG H H -3.134 -5.542 2.127 1.00 . A A . 64 ARG H 1 1 18 7435 1 1 7 ARG HA H -5.453 -7.178 2.350 1.00 . A A . 64 ARG HA 1 1 18 7436 1 1 7 ARG HB2 H -5.157 -4.388 1.251 1.00 . A A . 64 ARG HB2 1 1 18 7437 1 1 7 ARG HB3 H -6.665 -5.182 1.680 1.00 . A A . 64 ARG HB3 1 1 18 7438 1 1 7 ARG HD2 H -6.117 -3.022 4.598 1.00 . A A . 64 ARG HD2 1 1 18 7439 1 1 7 ARG HD3 H -6.069 -2.615 2.879 1.00 . A A . 64 ARG HD3 1 1 18 7440 1 1 7 ARG HE H -8.057 -4.391 2.917 1.00 . A A . 64 ARG HE 1 1 18 7441 1 1 7 ARG HG2 H -5.765 -5.395 4.009 1.00 . A A . 64 ARG HG2 1 1 18 7442 1 1 7 ARG HG3 H -4.441 -4.354 3.508 1.00 . A A . 64 ARG HG3 1 1 18 7443 1 1 7 ARG HH11 H -7.373 -1.797 5.173 1.00 . A A . 64 ARG HH11 1 1 18 7444 1 1 7 ARG HH12 H -9.049 -1.431 5.471 1.00 . A A . 64 ARG HH12 1 1 18 7445 1 1 7 ARG HH21 H -10.275 -3.919 3.321 1.00 . A A . 64 ARG HH21 1 1 18 7446 1 1 7 ARG HH22 H -10.687 -2.628 4.414 1.00 . A A . 64 ARG HH22 1 1 18 7447 1 1 7 ARG N N -3.582 -6.408 2.103 1.00 . A A . 64 ARG N 1 1 18 7448 1 1 7 ARG NE N -7.769 -3.645 3.500 1.00 . A A . 64 ARG NE 1 1 18 7449 1 1 7 ARG NH1 N -8.343 -1.976 4.991 1.00 . A A . 64 ARG NH1 1 1 18 7450 1 1 7 ARG NH2 N -9.988 -3.179 3.942 1.00 . A A . 64 ARG NH2 1 1 18 7451 1 1 7 ARG O O -6.108 -7.629 -0.036 1.00 . A A . 64 ARG O 1 1 18 7452 1 1 8 CYS C C -3.129 -7.709 -2.620 1.00 . A A . 65 CYS C 1 1 18 7453 1 1 8 CYS CA C -4.399 -7.064 -2.047 1.00 . A A . 65 CYS CA 1 1 18 7454 1 1 8 CYS CB C -4.887 -5.935 -2.955 1.00 . A A . 65 CYS CB 1 1 18 7455 1 1 8 CYS H H -3.455 -5.998 -0.431 1.00 . A A . 65 CYS H 1 1 18 7456 1 1 8 CYS HA H -5.168 -7.824 -2.017 1.00 . A A . 65 CYS HA 1 1 18 7457 1 1 8 CYS HB2 H -5.155 -6.338 -3.920 1.00 . A A . 65 CYS HB2 1 1 18 7458 1 1 8 CYS HB3 H -5.761 -5.480 -2.505 1.00 . A A . 65 CYS HB3 1 1 18 7459 1 1 8 CYS N N -4.227 -6.584 -0.668 1.00 . A A . 65 CYS N 1 1 18 7460 1 1 8 CYS O O -3.140 -8.224 -3.736 1.00 . A A . 65 CYS O 1 1 18 7461 1 1 8 CYS SG S -3.677 -4.635 -3.221 1.00 . A A . 65 CYS SG 1 1 18 7462 1 1 9 GLY C C 0.132 -7.483 -3.072 1.00 . A A . 66 GLY C 1 1 18 7463 1 1 9 GLY CA C -0.825 -8.365 -2.286 1.00 . A A . 66 GLY CA 1 1 18 7464 1 1 9 GLY H H -2.053 -7.203 -1.008 1.00 . A A . 66 GLY H 1 1 18 7465 1 1 9 GLY HA2 H -0.311 -8.730 -1.404 1.00 . A A . 66 GLY HA2 1 1 18 7466 1 1 9 GLY HA3 H -1.102 -9.209 -2.904 1.00 . A A . 66 GLY HA3 1 1 18 7467 1 1 9 GLY N N -2.039 -7.683 -1.865 1.00 . A A . 66 GLY N 1 1 18 7468 1 1 9 GLY O O 1.262 -7.886 -3.347 1.00 . A A . 66 GLY O 1 1 18 7469 1 1 10 LYS C C 1.422 -4.512 -3.389 1.00 . A A . 67 LYS C 1 1 18 7470 1 1 10 LYS CA C 0.517 -5.392 -4.257 1.00 . A A . 67 LYS CA 1 1 18 7471 1 1 10 LYS CB C -0.397 -4.549 -5.142 1.00 . A A . 67 LYS CB 1 1 18 7472 1 1 10 LYS CD C -2.469 -4.604 -6.577 1.00 . A A . 67 LYS CD 1 1 18 7473 1 1 10 LYS CE C -1.993 -3.707 -7.706 1.00 . A A . 67 LYS CE 1 1 18 7474 1 1 10 LYS CG C -1.336 -5.409 -5.970 1.00 . A A . 67 LYS CG 1 1 18 7475 1 1 10 LYS H H -1.205 -5.996 -3.172 1.00 . A A . 67 LYS H 1 1 18 7476 1 1 10 LYS HA H 1.140 -6.008 -4.889 1.00 . A A . 67 LYS HA 1 1 18 7477 1 1 10 LYS HB2 H -0.987 -3.892 -4.517 1.00 . A A . 67 LYS HB2 1 1 18 7478 1 1 10 LYS HB3 H 0.205 -3.955 -5.813 1.00 . A A . 67 LYS HB3 1 1 18 7479 1 1 10 LYS HD2 H -3.215 -5.284 -6.958 1.00 . A A . 67 LYS HD2 1 1 18 7480 1 1 10 LYS HD3 H -2.903 -3.993 -5.800 1.00 . A A . 67 LYS HD3 1 1 18 7481 1 1 10 LYS HE2 H -1.426 -2.890 -7.287 1.00 . A A . 67 LYS HE2 1 1 18 7482 1 1 10 LYS HE3 H -1.361 -4.281 -8.368 1.00 . A A . 67 LYS HE3 1 1 18 7483 1 1 10 LYS HG2 H -0.775 -5.870 -6.769 1.00 . A A . 67 LYS HG2 1 1 18 7484 1 1 10 LYS HG3 H -1.754 -6.178 -5.335 1.00 . A A . 67 LYS HG3 1 1 18 7485 1 1 10 LYS HZ1 H -2.779 -2.592 -9.285 1.00 . A A . 67 LYS HZ1 1 1 18 7486 1 1 10 LYS HZ2 H -3.722 -2.541 -7.878 1.00 . A A . 67 LYS HZ2 1 1 18 7487 1 1 10 LYS HZ3 H -3.727 -3.927 -8.852 1.00 . A A . 67 LYS HZ3 1 1 18 7488 1 1 10 LYS N N -0.303 -6.284 -3.438 1.00 . A A . 67 LYS N 1 1 18 7489 1 1 10 LYS NZ N -3.132 -3.153 -8.484 1.00 . A A . 67 LYS NZ 1 1 18 7490 1 1 10 LYS O O 0.967 -3.901 -2.422 1.00 . A A . 67 LYS O 1 1 18 7491 1 1 11 ARG C C 3.921 -2.329 -3.407 1.00 . A A . 68 ARG C 1 1 18 7492 1 1 11 ARG CA C 3.705 -3.765 -2.950 1.00 . A A . 68 ARG CA 1 1 18 7493 1 1 11 ARG CB C 5.024 -4.511 -3.031 1.00 . A A . 68 ARG CB 1 1 18 7494 1 1 11 ARG CD C 6.290 -6.580 -2.423 1.00 . A A . 68 ARG CD 1 1 18 7495 1 1 11 ARG CG C 4.944 -5.886 -2.431 1.00 . A A . 68 ARG CG 1 1 18 7496 1 1 11 ARG CZ C 7.441 -7.802 -4.232 1.00 . A A . 68 ARG CZ 1 1 18 7497 1 1 11 ARG H H 3.012 -4.986 -4.516 1.00 . A A . 68 ARG H 1 1 18 7498 1 1 11 ARG HA H 3.377 -3.757 -1.923 1.00 . A A . 68 ARG HA 1 1 18 7499 1 1 11 ARG HB2 H 5.313 -4.607 -4.070 1.00 . A A . 68 ARG HB2 1 1 18 7500 1 1 11 ARG HB3 H 5.775 -3.952 -2.500 1.00 . A A . 68 ARG HB3 1 1 18 7501 1 1 11 ARG HD2 H 6.960 -6.016 -1.796 1.00 . A A . 68 ARG HD2 1 1 18 7502 1 1 11 ARG HD3 H 6.160 -7.570 -2.014 1.00 . A A . 68 ARG HD3 1 1 18 7503 1 1 11 ARG HE H 6.873 -5.884 -4.325 1.00 . A A . 68 ARG HE 1 1 18 7504 1 1 11 ARG HG2 H 4.589 -5.791 -1.415 1.00 . A A . 68 ARG HG2 1 1 18 7505 1 1 11 ARG HG3 H 4.247 -6.475 -3.005 1.00 . A A . 68 ARG HG3 1 1 18 7506 1 1 11 ARG HH11 H 6.912 -8.952 -2.644 1.00 . A A . 68 ARG HH11 1 1 18 7507 1 1 11 ARG HH12 H 7.814 -9.770 -3.891 1.00 . A A . 68 ARG HH12 1 1 18 7508 1 1 11 ARG HH21 H 8.044 -6.950 -5.966 1.00 . A A . 68 ARG HH21 1 1 18 7509 1 1 11 ARG HH22 H 8.473 -8.628 -5.774 1.00 . A A . 68 ARG HH22 1 1 18 7510 1 1 11 ARG N N 2.709 -4.482 -3.729 1.00 . A A . 68 ARG N 1 1 18 7511 1 1 11 ARG NE N 6.873 -6.692 -3.760 1.00 . A A . 68 ARG NE 1 1 18 7512 1 1 11 ARG NH1 N 7.387 -8.929 -3.534 1.00 . A A . 68 ARG NH1 1 1 18 7513 1 1 11 ARG NH2 N 8.029 -7.792 -5.420 1.00 . A A . 68 ARG NH2 1 1 18 7514 1 1 11 ARG O O 3.572 -1.944 -4.525 1.00 . A A . 68 ARG O 1 1 18 7515 1 1 12 PHE C C 6.254 0.078 -2.083 1.00 . A A . 69 PHE C 1 1 18 7516 1 1 12 PHE CA C 4.918 -0.182 -2.738 1.00 . A A . 69 PHE CA 1 1 18 7517 1 1 12 PHE CB C 3.858 0.775 -2.186 1.00 . A A . 69 PHE CB 1 1 18 7518 1 1 12 PHE CD1 C 1.746 0.188 -3.397 1.00 . A A . 69 PHE CD1 1 1 18 7519 1 1 12 PHE CD2 C 2.773 2.280 -3.877 1.00 . A A . 69 PHE CD2 1 1 18 7520 1 1 12 PHE CE1 C 0.736 0.470 -4.291 1.00 . A A . 69 PHE CE1 1 1 18 7521 1 1 12 PHE CE2 C 1.760 2.573 -4.768 1.00 . A A . 69 PHE CE2 1 1 18 7522 1 1 12 PHE CG C 2.775 1.086 -3.180 1.00 . A A . 69 PHE CG 1 1 18 7523 1 1 12 PHE CZ C 0.809 1.657 -5.054 1.00 . A A . 69 PHE CZ 1 1 18 7524 1 1 12 PHE H H 4.798 -1.977 -1.657 1.00 . A A . 69 PHE H 1 1 18 7525 1 1 12 PHE HA H 5.026 -0.014 -3.795 1.00 . A A . 69 PHE HA 1 1 18 7526 1 1 12 PHE HB2 H 3.399 0.330 -1.316 1.00 . A A . 69 PHE HB2 1 1 18 7527 1 1 12 PHE HB3 H 4.334 1.707 -1.906 1.00 . A A . 69 PHE HB3 1 1 18 7528 1 1 12 PHE HD1 H 1.740 -0.749 -2.861 1.00 . A A . 69 PHE HD1 1 1 18 7529 1 1 12 PHE HD2 H 3.573 2.988 -3.716 1.00 . A A . 69 PHE HD2 1 1 18 7530 1 1 12 PHE HE1 H -0.059 -0.242 -4.451 1.00 . A A . 69 PHE HE1 1 1 18 7531 1 1 12 PHE HE2 H 1.767 3.509 -5.308 1.00 . A A . 69 PHE HE2 1 1 18 7532 1 1 12 PHE HZ H 0.046 1.878 -5.787 1.00 . A A . 69 PHE HZ 1 1 18 7533 1 1 12 PHE N N 4.548 -1.571 -2.516 1.00 . A A . 69 PHE N 1 1 18 7534 1 1 12 PHE O O 6.600 -0.523 -1.073 1.00 . A A . 69 PHE O 1 1 18 7535 1 1 13 VAL C C 8.277 2.331 -1.156 1.00 . A A . 70 VAL C 1 1 18 7536 1 1 13 VAL CA C 8.330 1.275 -2.251 1.00 . A A . 70 VAL CA 1 1 18 7537 1 1 13 VAL CB C 9.164 1.774 -3.447 1.00 . A A . 70 VAL CB 1 1 18 7538 1 1 13 VAL CG1 C 10.483 2.325 -2.983 1.00 . A A . 70 VAL CG1 1 1 18 7539 1 1 13 VAL CG2 C 9.372 0.654 -4.458 1.00 . A A . 70 VAL CG2 1 1 18 7540 1 1 13 VAL H H 6.661 1.417 -3.473 1.00 . A A . 70 VAL H 1 1 18 7541 1 1 13 VAL HA H 8.788 0.379 -1.862 1.00 . A A . 70 VAL HA 1 1 18 7542 1 1 13 VAL HB H 8.620 2.570 -3.933 1.00 . A A . 70 VAL HB 1 1 18 7543 1 1 13 VAL HG11 H 11.023 1.560 -2.452 1.00 . A A . 70 VAL HG11 1 1 18 7544 1 1 13 VAL HG12 H 10.296 3.160 -2.329 1.00 . A A . 70 VAL HG12 1 1 18 7545 1 1 13 VAL HG13 H 11.055 2.652 -3.837 1.00 . A A . 70 VAL HG13 1 1 18 7546 1 1 13 VAL HG21 H 8.412 0.305 -4.809 1.00 . A A . 70 VAL HG21 1 1 18 7547 1 1 13 VAL HG22 H 9.902 -0.163 -3.988 1.00 . A A . 70 VAL HG22 1 1 18 7548 1 1 13 VAL HG23 H 9.949 1.022 -5.294 1.00 . A A . 70 VAL HG23 1 1 18 7549 1 1 13 VAL N N 7.008 0.955 -2.695 1.00 . A A . 70 VAL N 1 1 18 7550 1 1 13 VAL O O 9.099 2.332 -0.236 1.00 . A A . 70 VAL O 1 1 18 7551 1 1 14 GLN C C 6.177 3.952 0.774 1.00 . A A . 71 GLN C 1 1 18 7552 1 1 14 GLN CA C 7.173 4.300 -0.317 1.00 . A A . 71 GLN CA 1 1 18 7553 1 1 14 GLN CB C 6.707 5.523 -1.079 1.00 . A A . 71 GLN CB 1 1 18 7554 1 1 14 GLN CD C 7.317 7.246 -2.818 1.00 . A A . 71 GLN CD 1 1 18 7555 1 1 14 GLN CG C 7.558 5.846 -2.295 1.00 . A A . 71 GLN CG 1 1 18 7556 1 1 14 GLN H H 6.615 3.139 -1.950 1.00 . A A . 71 GLN H 1 1 18 7557 1 1 14 GLN HA H 8.140 4.493 0.120 1.00 . A A . 71 GLN HA 1 1 18 7558 1 1 14 GLN HB2 H 5.688 5.360 -1.413 1.00 . A A . 71 GLN HB2 1 1 18 7559 1 1 14 GLN HB3 H 6.731 6.357 -0.420 1.00 . A A . 71 GLN HB3 1 1 18 7560 1 1 14 GLN HE21 H 7.657 6.642 -4.682 1.00 . A A . 71 GLN HE21 1 1 18 7561 1 1 14 GLN HE22 H 7.275 8.318 -4.487 1.00 . A A . 71 GLN HE22 1 1 18 7562 1 1 14 GLN HG2 H 8.597 5.746 -2.025 1.00 . A A . 71 GLN HG2 1 1 18 7563 1 1 14 GLN HG3 H 7.323 5.139 -3.077 1.00 . A A . 71 GLN HG3 1 1 18 7564 1 1 14 GLN N N 7.292 3.216 -1.242 1.00 . A A . 71 GLN N 1 1 18 7565 1 1 14 GLN NE2 N 7.429 7.421 -4.126 1.00 . A A . 71 GLN NE2 1 1 18 7566 1 1 14 GLN O O 5.073 3.493 0.488 1.00 . A A . 71 GLN O 1 1 18 7567 1 1 14 GLN OE1 O 7.017 8.164 -2.053 1.00 . A A . 71 GLN OE1 1 1 18 7568 1 1 15 SER C C 4.431 4.795 3.009 1.00 . A A . 72 SER C 1 1 18 7569 1 1 15 SER CA C 5.692 3.952 3.158 1.00 . A A . 72 SER CA 1 1 18 7570 1 1 15 SER CB C 6.417 4.306 4.462 1.00 . A A . 72 SER CB 1 1 18 7571 1 1 15 SER H H 7.482 4.508 2.181 1.00 . A A . 72 SER H 1 1 18 7572 1 1 15 SER HA H 5.421 2.907 3.173 1.00 . A A . 72 SER HA 1 1 18 7573 1 1 15 SER HB2 H 7.314 3.711 4.544 1.00 . A A . 72 SER HB2 1 1 18 7574 1 1 15 SER HB3 H 6.682 5.354 4.448 1.00 . A A . 72 SER HB3 1 1 18 7575 1 1 15 SER HG H 6.064 4.362 6.394 1.00 . A A . 72 SER HG 1 1 18 7576 1 1 15 SER N N 6.572 4.178 2.020 1.00 . A A . 72 SER N 1 1 18 7577 1 1 15 SER O O 3.314 4.322 3.242 1.00 . A A . 72 SER O 1 1 18 7578 1 1 15 SER OG O 5.604 4.056 5.595 1.00 . A A . 72 SER OG 1 1 18 7579 1 1 16 SER C C 2.582 6.414 1.291 1.00 . A A . 73 SER C 1 1 18 7580 1 1 16 SER CA C 3.529 6.960 2.357 1.00 . A A . 73 SER CA 1 1 18 7581 1 1 16 SER CB C 4.081 8.319 1.923 1.00 . A A . 73 SER CB 1 1 18 7582 1 1 16 SER H H 5.545 6.351 2.447 1.00 . A A . 73 SER H 1 1 18 7583 1 1 16 SER HA H 2.988 7.076 3.283 1.00 . A A . 73 SER HA 1 1 18 7584 1 1 16 SER HB2 H 4.374 8.274 0.884 1.00 . A A . 73 SER HB2 1 1 18 7585 1 1 16 SER HB3 H 3.319 9.075 2.051 1.00 . A A . 73 SER HB3 1 1 18 7586 1 1 16 SER HG H 5.517 9.557 2.449 1.00 . A A . 73 SER HG 1 1 18 7587 1 1 16 SER N N 4.626 6.037 2.586 1.00 . A A . 73 SER N 1 1 18 7588 1 1 16 SER O O 1.371 6.383 1.484 1.00 . A A . 73 SER O 1 1 18 7589 1 1 16 SER OG O 5.210 8.673 2.703 1.00 . A A . 73 SER OG 1 1 18 7590 1 1 17 GLN C C 1.700 4.157 -0.659 1.00 . A A . 74 GLN C 1 1 18 7591 1 1 17 GLN CA C 2.353 5.492 -0.949 1.00 . A A . 74 GLN CA 1 1 18 7592 1 1 17 GLN CB C 3.211 5.410 -2.212 1.00 . A A . 74 GLN CB 1 1 18 7593 1 1 17 GLN CD C 2.550 7.676 -3.121 1.00 . A A . 74 GLN CD 1 1 18 7594 1 1 17 GLN CG C 3.690 6.765 -2.708 1.00 . A A . 74 GLN CG 1 1 18 7595 1 1 17 GLN H H 4.116 5.804 0.159 1.00 . A A . 74 GLN H 1 1 18 7596 1 1 17 GLN HA H 1.577 6.229 -1.103 1.00 . A A . 74 GLN HA 1 1 18 7597 1 1 17 GLN HB2 H 4.082 4.800 -2.004 1.00 . A A . 74 GLN HB2 1 1 18 7598 1 1 17 GLN HB3 H 2.631 4.945 -2.998 1.00 . A A . 74 GLN HB3 1 1 18 7599 1 1 17 GLN HE21 H 2.455 8.447 -1.294 1.00 . A A . 74 GLN HE21 1 1 18 7600 1 1 17 GLN HE22 H 1.321 9.077 -2.434 1.00 . A A . 74 GLN HE22 1 1 18 7601 1 1 17 GLN HG2 H 4.244 7.247 -1.916 1.00 . A A . 74 GLN HG2 1 1 18 7602 1 1 17 GLN HG3 H 4.339 6.613 -3.558 1.00 . A A . 74 GLN HG3 1 1 18 7603 1 1 17 GLN N N 3.148 5.922 0.189 1.00 . A A . 74 GLN N 1 1 18 7604 1 1 17 GLN NE2 N 2.059 8.478 -2.191 1.00 . A A . 74 GLN NE2 1 1 18 7605 1 1 17 GLN O O 0.660 3.837 -1.223 1.00 . A A . 74 GLN O 1 1 18 7606 1 1 17 GLN OE1 O 2.122 7.671 -4.275 1.00 . A A . 74 GLN OE1 1 1 18 7607 1 1 18 LEU C C 0.429 2.452 1.439 1.00 . A A . 75 LEU C 1 1 18 7608 1 1 18 LEU CA C 1.716 2.154 0.701 1.00 . A A . 75 LEU CA 1 1 18 7609 1 1 18 LEU CB C 2.684 1.424 1.633 1.00 . A A . 75 LEU CB 1 1 18 7610 1 1 18 LEU CD1 C 1.578 -0.781 1.441 1.00 . A A . 75 LEU CD1 1 1 18 7611 1 1 18 LEU CD2 C 3.042 -0.329 3.403 1.00 . A A . 75 LEU CD2 1 1 18 7612 1 1 18 LEU CG C 2.060 0.267 2.408 1.00 . A A . 75 LEU CG 1 1 18 7613 1 1 18 LEU H H 3.199 3.650 0.559 1.00 . A A . 75 LEU H 1 1 18 7614 1 1 18 LEU HA H 1.490 1.538 -0.154 1.00 . A A . 75 LEU HA 1 1 18 7615 1 1 18 LEU HB2 H 3.501 1.036 1.036 1.00 . A A . 75 LEU HB2 1 1 18 7616 1 1 18 LEU HB3 H 3.076 2.138 2.346 1.00 . A A . 75 LEU HB3 1 1 18 7617 1 1 18 LEU HD11 H 1.147 -1.604 1.986 1.00 . A A . 75 LEU HD11 1 1 18 7618 1 1 18 LEU HD12 H 2.412 -1.128 0.850 1.00 . A A . 75 LEU HD12 1 1 18 7619 1 1 18 LEU HD13 H 0.833 -0.340 0.797 1.00 . A A . 75 LEU HD13 1 1 18 7620 1 1 18 LEU HD21 H 3.344 0.432 4.107 1.00 . A A . 75 LEU HD21 1 1 18 7621 1 1 18 LEU HD22 H 3.908 -0.701 2.878 1.00 . A A . 75 LEU HD22 1 1 18 7622 1 1 18 LEU HD23 H 2.568 -1.141 3.935 1.00 . A A . 75 LEU HD23 1 1 18 7623 1 1 18 LEU HG H 1.202 0.631 2.956 1.00 . A A . 75 LEU HG 1 1 18 7624 1 1 18 LEU N N 2.313 3.388 0.226 1.00 . A A . 75 LEU N 1 1 18 7625 1 1 18 LEU O O -0.636 1.937 1.100 1.00 . A A . 75 LEU O 1 1 18 7626 1 1 19 ALA C C -1.573 4.446 2.254 1.00 . A A . 76 ALA C 1 1 18 7627 1 1 19 ALA CA C -0.613 3.748 3.196 1.00 . A A . 76 ALA CA 1 1 18 7628 1 1 19 ALA CB C -0.193 4.677 4.324 1.00 . A A . 76 ALA CB 1 1 18 7629 1 1 19 ALA H H 1.441 3.551 2.739 1.00 . A A . 76 ALA H 1 1 18 7630 1 1 19 ALA HA H -1.117 2.888 3.621 1.00 . A A . 76 ALA HA 1 1 18 7631 1 1 19 ALA HB1 H -1.067 4.990 4.874 1.00 . A A . 76 ALA HB1 1 1 18 7632 1 1 19 ALA HB2 H 0.302 5.544 3.910 1.00 . A A . 76 ALA HB2 1 1 18 7633 1 1 19 ALA HB3 H 0.483 4.158 4.988 1.00 . A A . 76 ALA HB3 1 1 18 7634 1 1 19 ALA N N 0.547 3.276 2.460 1.00 . A A . 76 ALA N 1 1 18 7635 1 1 19 ALA O O -2.781 4.278 2.367 1.00 . A A . 76 ALA O 1 1 18 7636 1 1 20 ASN C C -2.666 4.791 -0.450 1.00 . A A . 77 ASN C 1 1 18 7637 1 1 20 ASN CA C -1.850 5.847 0.287 1.00 . A A . 77 ASN CA 1 1 18 7638 1 1 20 ASN CB C -0.970 6.615 -0.703 1.00 . A A . 77 ASN CB 1 1 18 7639 1 1 20 ASN CG C -1.769 7.434 -1.696 1.00 . A A . 77 ASN CG 1 1 18 7640 1 1 20 ASN H H -0.044 5.337 1.288 1.00 . A A . 77 ASN H 1 1 18 7641 1 1 20 ASN HA H -2.521 6.536 0.779 1.00 . A A . 77 ASN HA 1 1 18 7642 1 1 20 ASN HB2 H -0.323 7.283 -0.155 1.00 . A A . 77 ASN HB2 1 1 18 7643 1 1 20 ASN HB3 H -0.364 5.909 -1.253 1.00 . A A . 77 ASN HB3 1 1 18 7644 1 1 20 ASN HD21 H -3.113 7.884 -0.295 1.00 . A A . 77 ASN HD21 1 1 18 7645 1 1 20 ASN HD22 H -3.402 8.564 -1.873 1.00 . A A . 77 ASN HD22 1 1 18 7646 1 1 20 ASN N N -1.028 5.204 1.303 1.00 . A A . 77 ASN N 1 1 18 7647 1 1 20 ASN ND2 N -2.871 8.014 -1.244 1.00 . A A . 77 ASN ND2 1 1 18 7648 1 1 20 ASN O O -3.881 4.921 -0.613 1.00 . A A . 77 ASN O 1 1 18 7649 1 1 20 ASN OD1 O -1.378 7.569 -2.857 1.00 . A A . 77 ASN OD1 1 1 18 7650 1 1 21 HIS C C -3.714 1.984 -0.748 1.00 . A A . 78 HIS C 1 1 18 7651 1 1 21 HIS CA C -2.592 2.622 -1.566 1.00 . A A . 78 HIS CA 1 1 18 7652 1 1 21 HIS CB C -1.502 1.594 -1.895 1.00 . A A . 78 HIS CB 1 1 18 7653 1 1 21 HIS CD2 C -2.184 -0.882 -1.934 1.00 . A A . 78 HIS CD2 1 1 18 7654 1 1 21 HIS CE1 C -2.696 -1.091 -4.026 1.00 . A A . 78 HIS CE1 1 1 18 7655 1 1 21 HIS CG C -1.993 0.326 -2.507 1.00 . A A . 78 HIS CG 1 1 18 7656 1 1 21 HIS H H -1.022 3.656 -0.612 1.00 . A A . 78 HIS H 1 1 18 7657 1 1 21 HIS HA H -3.001 3.013 -2.485 1.00 . A A . 78 HIS HA 1 1 18 7658 1 1 21 HIS HB2 H -0.802 2.034 -2.586 1.00 . A A . 78 HIS HB2 1 1 18 7659 1 1 21 HIS HB3 H -0.981 1.337 -0.978 1.00 . A A . 78 HIS HB3 1 1 18 7660 1 1 21 HIS HD1 H -2.294 0.887 -4.520 1.00 . A A . 78 HIS HD1 1 1 18 7661 1 1 21 HIS HD2 H -2.019 -1.117 -0.892 1.00 . A A . 78 HIS HD2 1 1 18 7662 1 1 21 HIS HE1 H -3.005 -1.500 -4.976 1.00 . A A . 78 HIS HE1 1 1 18 7663 1 1 21 HIS N N -1.984 3.720 -0.838 1.00 . A A . 78 HIS N 1 1 18 7664 1 1 21 HIS ND1 N -2.321 0.179 -3.834 1.00 . A A . 78 HIS ND1 1 1 18 7665 1 1 21 HIS NE2 N -2.635 -1.786 -2.895 1.00 . A A . 78 HIS NE2 1 1 18 7666 1 1 21 HIS O O -4.842 1.848 -1.215 1.00 . A A . 78 HIS O 1 1 18 7667 1 1 22 ILE C C -5.464 1.850 1.813 1.00 . A A . 79 ILE C 1 1 18 7668 1 1 22 ILE CA C -4.344 0.928 1.344 1.00 . A A . 79 ILE CA 1 1 18 7669 1 1 22 ILE CB C -3.595 0.320 2.531 1.00 . A A . 79 ILE CB 1 1 18 7670 1 1 22 ILE CD1 C -1.865 -1.478 3.020 1.00 . A A . 79 ILE CD1 1 1 18 7671 1 1 22 ILE CG1 C -2.516 -0.611 1.983 1.00 . A A . 79 ILE CG1 1 1 18 7672 1 1 22 ILE CG2 C -4.543 -0.421 3.457 1.00 . A A . 79 ILE CG2 1 1 18 7673 1 1 22 ILE H H -2.502 1.812 0.827 1.00 . A A . 79 ILE H 1 1 18 7674 1 1 22 ILE HA H -4.786 0.108 0.778 1.00 . A A . 79 ILE HA 1 1 18 7675 1 1 22 ILE HB H -3.127 1.116 3.089 1.00 . A A . 79 ILE HB 1 1 18 7676 1 1 22 ILE HD11 H -1.244 -2.216 2.525 1.00 . A A . 79 ILE HD11 1 1 18 7677 1 1 22 ILE HD12 H -2.635 -1.974 3.593 1.00 . A A . 79 ILE HD12 1 1 18 7678 1 1 22 ILE HD13 H -1.260 -0.865 3.670 1.00 . A A . 79 ILE HD13 1 1 18 7679 1 1 22 ILE HG12 H -2.957 -1.264 1.239 1.00 . A A . 79 ILE HG12 1 1 18 7680 1 1 22 ILE HG13 H -1.740 -0.011 1.518 1.00 . A A . 79 ILE HG13 1 1 18 7681 1 1 22 ILE HG21 H -5.019 -1.223 2.915 1.00 . A A . 79 ILE HG21 1 1 18 7682 1 1 22 ILE HG22 H -5.294 0.263 3.821 1.00 . A A . 79 ILE HG22 1 1 18 7683 1 1 22 ILE HG23 H -3.989 -0.828 4.289 1.00 . A A . 79 ILE HG23 1 1 18 7684 1 1 22 ILE N N -3.403 1.618 0.482 1.00 . A A . 79 ILE N 1 1 18 7685 1 1 22 ILE O O -6.578 1.396 2.067 1.00 . A A . 79 ILE O 1 1 18 7686 1 1 23 ARG C C -7.294 4.117 1.088 1.00 . A A . 80 ARG C 1 1 18 7687 1 1 23 ARG CA C -6.237 4.104 2.192 1.00 . A A . 80 ARG CA 1 1 18 7688 1 1 23 ARG CB C -5.644 5.483 2.371 1.00 . A A . 80 ARG CB 1 1 18 7689 1 1 23 ARG CD C -5.275 7.124 4.222 1.00 . A A . 80 ARG CD 1 1 18 7690 1 1 23 ARG CG C -5.056 5.703 3.749 1.00 . A A . 80 ARG CG 1 1 18 7691 1 1 23 ARG CZ C -7.140 8.508 5.071 1.00 . A A . 80 ARG CZ 1 1 18 7692 1 1 23 ARG H H -4.269 3.474 1.809 1.00 . A A . 80 ARG H 1 1 18 7693 1 1 23 ARG HA H -6.705 3.812 3.120 1.00 . A A . 80 ARG HA 1 1 18 7694 1 1 23 ARG HB2 H -4.860 5.623 1.640 1.00 . A A . 80 ARG HB2 1 1 18 7695 1 1 23 ARG HB3 H -6.405 6.203 2.205 1.00 . A A . 80 ARG HB3 1 1 18 7696 1 1 23 ARG HD2 H -4.722 7.273 5.135 1.00 . A A . 80 ARG HD2 1 1 18 7697 1 1 23 ARG HD3 H -4.912 7.799 3.463 1.00 . A A . 80 ARG HD3 1 1 18 7698 1 1 23 ARG HE H -7.339 6.721 4.193 1.00 . A A . 80 ARG HE 1 1 18 7699 1 1 23 ARG HG2 H -5.527 5.024 4.445 1.00 . A A . 80 ARG HG2 1 1 18 7700 1 1 23 ARG HG3 H -3.994 5.505 3.713 1.00 . A A . 80 ARG HG3 1 1 18 7701 1 1 23 ARG HH11 H -5.312 9.374 5.248 1.00 . A A . 80 ARG HH11 1 1 18 7702 1 1 23 ARG HH12 H -6.637 10.313 5.869 1.00 . A A . 80 ARG HH12 1 1 18 7703 1 1 23 ARG HH21 H -9.087 7.921 5.028 1.00 . A A . 80 ARG HH21 1 1 18 7704 1 1 23 ARG HH22 H -8.790 9.469 5.771 1.00 . A A . 80 ARG HH22 1 1 18 7705 1 1 23 ARG N N -5.194 3.148 1.902 1.00 . A A . 80 ARG N 1 1 18 7706 1 1 23 ARG NE N -6.690 7.404 4.473 1.00 . A A . 80 ARG NE 1 1 18 7707 1 1 23 ARG NH1 N -6.293 9.472 5.428 1.00 . A A . 80 ARG NH1 1 1 18 7708 1 1 23 ARG NH2 N -8.440 8.646 5.306 1.00 . A A . 80 ARG NH2 1 1 18 7709 1 1 23 ARG O O -8.426 4.541 1.305 1.00 . A A . 80 ARG O 1 1 18 7710 1 1 24 HIS C C -8.623 2.221 -1.154 1.00 . A A . 81 HIS C 1 1 18 7711 1 1 24 HIS CA C -7.851 3.535 -1.210 1.00 . A A . 81 HIS CA 1 1 18 7712 1 1 24 HIS CB C -7.119 3.661 -2.552 1.00 . A A . 81 HIS CB 1 1 18 7713 1 1 24 HIS CD2 C -5.323 5.366 -3.334 1.00 . A A . 81 HIS CD2 1 1 18 7714 1 1 24 HIS CE1 C -6.362 7.206 -2.757 1.00 . A A . 81 HIS CE1 1 1 18 7715 1 1 24 HIS CG C -6.510 5.010 -2.785 1.00 . A A . 81 HIS CG 1 1 18 7716 1 1 24 HIS H H -5.992 3.324 -0.214 1.00 . A A . 81 HIS H 1 1 18 7717 1 1 24 HIS HA H -8.555 4.350 -1.120 1.00 . A A . 81 HIS HA 1 1 18 7718 1 1 24 HIS HB2 H -6.326 2.928 -2.591 1.00 . A A . 81 HIS HB2 1 1 18 7719 1 1 24 HIS HB3 H -7.818 3.468 -3.354 1.00 . A A . 81 HIS HB3 1 1 18 7720 1 1 24 HIS HD1 H -8.021 6.267 -2.002 1.00 . A A . 81 HIS HD1 1 1 18 7721 1 1 24 HIS HD2 H -4.568 4.695 -3.720 1.00 . A A . 81 HIS HD2 1 1 18 7722 1 1 24 HIS HE1 H -6.595 8.249 -2.601 1.00 . A A . 81 HIS HE1 1 1 18 7723 1 1 24 HIS HE2 H -4.597 7.285 -3.794 1.00 . A A . 81 HIS HE2 1 1 18 7724 1 1 24 HIS N N -6.919 3.630 -0.092 1.00 . A A . 81 HIS N 1 1 18 7725 1 1 24 HIS ND1 N -7.135 6.187 -2.434 1.00 . A A . 81 HIS ND1 1 1 18 7726 1 1 24 HIS NE2 N -5.258 6.737 -3.304 1.00 . A A . 81 HIS NE2 1 1 18 7727 1 1 24 HIS O O -9.423 1.917 -2.036 1.00 . A A . 81 HIS O 1 1 18 7728 1 1 25 HIS C C -10.364 0.492 0.954 1.00 . A A . 82 HIS C 1 1 18 7729 1 1 25 HIS CA C -9.126 0.210 0.116 1.00 . A A . 82 HIS CA 1 1 18 7730 1 1 25 HIS CB C -8.244 -0.848 0.792 1.00 . A A . 82 HIS CB 1 1 18 7731 1 1 25 HIS CD2 C -6.394 -2.399 -0.045 1.00 . A A . 82 HIS CD2 1 1 18 7732 1 1 25 HIS CE1 C -7.119 -2.848 -2.022 1.00 . A A . 82 HIS CE1 1 1 18 7733 1 1 25 HIS CG C -7.568 -1.764 -0.168 1.00 . A A . 82 HIS CG 1 1 18 7734 1 1 25 HIS H H -7.681 1.699 0.532 1.00 . A A . 82 HIS H 1 1 18 7735 1 1 25 HIS HA H -9.441 -0.161 -0.848 1.00 . A A . 82 HIS HA 1 1 18 7736 1 1 25 HIS HB2 H -7.465 -0.350 1.362 1.00 . A A . 82 HIS HB2 1 1 18 7737 1 1 25 HIS HB3 H -8.833 -1.439 1.460 1.00 . A A . 82 HIS HB3 1 1 18 7738 1 1 25 HIS HD1 H -8.897 -1.773 -1.822 1.00 . A A . 82 HIS HD1 1 1 18 7739 1 1 25 HIS HD2 H -5.760 -2.387 0.829 1.00 . A A . 82 HIS HD2 1 1 18 7740 1 1 25 HIS HE1 H -7.208 -3.254 -3.021 1.00 . A A . 82 HIS HE1 1 1 18 7741 1 1 25 HIS N N -8.379 1.440 -0.109 1.00 . A A . 82 HIS N 1 1 18 7742 1 1 25 HIS ND1 N -8.033 -2.062 -1.431 1.00 . A A . 82 HIS ND1 1 1 18 7743 1 1 25 HIS NE2 N -6.099 -3.074 -1.217 1.00 . A A . 82 HIS NE2 1 1 18 7744 1 1 25 HIS O O -11.017 -0.421 1.460 1.00 . A A . 82 HIS O 1 1 18 7745 1 1 26 ASP C C -12.945 2.590 0.821 1.00 . A A . 83 ASP C 1 1 18 7746 1 1 26 ASP CA C -11.863 2.201 1.812 1.00 . A A . 83 ASP CA 1 1 18 7747 1 1 26 ASP CB C -11.543 3.381 2.728 1.00 . A A . 83 ASP CB 1 1 18 7748 1 1 26 ASP CG C -12.751 3.847 3.507 1.00 . A A . 83 ASP CG 1 1 18 7749 1 1 26 ASP H H -10.098 2.450 0.687 1.00 . A A . 83 ASP H 1 1 18 7750 1 1 26 ASP HA H -12.213 1.372 2.409 1.00 . A A . 83 ASP HA 1 1 18 7751 1 1 26 ASP HB2 H -10.778 3.081 3.431 1.00 . A A . 83 ASP HB2 1 1 18 7752 1 1 26 ASP HB3 H -11.180 4.208 2.129 1.00 . A A . 83 ASP HB3 1 1 18 7753 1 1 26 ASP N N -10.677 1.772 1.095 1.00 . A A . 83 ASP N 1 1 18 7754 1 1 26 ASP O O -13.967 1.877 0.742 1.00 . A A . 83 ASP O 1 1 18 7755 1 1 26 ASP OXT O -12.744 3.580 0.088 1.00 . A A . 83 ASP OXT 1 1 18 7756 1 1 26 ASP OD1 O -13.003 3.315 4.604 1.00 . A A . 83 ASP OD1 1 1 18 7757 1 1 26 ASP OD2 O -13.469 4.744 3.015 1.00 . A A . 83 ASP OD2 1 1 18 7758 2 2 1 ZN ZN ZN -4.220 -2.857 -1.865 1.00 . B A . 101 ZN ZN 1 1 19 7759 1 1 1 LYS C C 9.678 -4.306 0.496 1.00 . A A . 58 LYS C 1 1 19 7760 1 1 1 LYS CA C 10.310 -3.452 -0.596 1.00 . A A . 58 LYS CA 1 1 19 7761 1 1 1 LYS CB C 9.346 -3.381 -1.792 1.00 . A A . 58 LYS CB 1 1 19 7762 1 1 1 LYS CD C 10.825 -2.549 -3.671 1.00 . A A . 58 LYS CD 1 1 19 7763 1 1 1 LYS CE C 10.578 -3.755 -4.562 1.00 . A A . 58 LYS CE 1 1 19 7764 1 1 1 LYS CG C 9.632 -2.254 -2.776 1.00 . A A . 58 LYS CG 1 1 19 7765 1 1 1 LYS H1 H 12.243 -4.092 -0.152 1.00 . A A . 58 LYS H1 1 1 19 7766 1 1 1 LYS H2 H 12.098 -3.354 -1.664 1.00 . A A . 58 LYS H2 1 1 19 7767 1 1 1 LYS H3 H 11.519 -4.932 -1.438 1.00 . A A . 58 LYS H3 1 1 19 7768 1 1 1 LYS HA H 10.462 -2.454 -0.207 1.00 . A A . 58 LYS HA 1 1 19 7769 1 1 1 LYS HB2 H 9.396 -4.315 -2.331 1.00 . A A . 58 LYS HB2 1 1 19 7770 1 1 1 LYS HB3 H 8.341 -3.251 -1.414 1.00 . A A . 58 LYS HB3 1 1 19 7771 1 1 1 LYS HD2 H 11.015 -1.687 -4.293 1.00 . A A . 58 LYS HD2 1 1 19 7772 1 1 1 LYS HD3 H 11.687 -2.743 -3.048 1.00 . A A . 58 LYS HD3 1 1 19 7773 1 1 1 LYS HE2 H 10.387 -4.616 -3.940 1.00 . A A . 58 LYS HE2 1 1 19 7774 1 1 1 LYS HE3 H 9.714 -3.559 -5.181 1.00 . A A . 58 LYS HE3 1 1 19 7775 1 1 1 LYS HG2 H 8.763 -2.109 -3.399 1.00 . A A . 58 LYS HG2 1 1 19 7776 1 1 1 LYS HG3 H 9.828 -1.349 -2.219 1.00 . A A . 58 LYS HG3 1 1 19 7777 1 1 1 LYS HZ1 H 12.608 -4.139 -4.858 1.00 . A A . 58 LYS HZ1 1 1 19 7778 1 1 1 LYS HZ2 H 11.884 -3.258 -6.113 1.00 . A A . 58 LYS HZ2 1 1 19 7779 1 1 1 LYS HZ3 H 11.589 -4.924 -5.966 1.00 . A A . 58 LYS HZ3 1 1 19 7780 1 1 1 LYS N N 11.631 -3.995 -0.993 1.00 . A A . 58 LYS N 1 1 19 7781 1 1 1 LYS NZ N 11.743 -4.038 -5.436 1.00 . A A . 58 LYS NZ 1 1 19 7782 1 1 1 LYS O O 9.092 -5.352 0.218 1.00 . A A . 58 LYS O 1 1 19 7783 1 1 2 PRO C C 7.697 -4.077 3.036 1.00 . A A . 59 PRO C 1 1 19 7784 1 1 2 PRO CA C 9.142 -4.533 2.885 1.00 . A A . 59 PRO CA 1 1 19 7785 1 1 2 PRO CB C 9.969 -4.080 4.099 1.00 . A A . 59 PRO CB 1 1 19 7786 1 1 2 PRO CD C 10.548 -2.705 2.199 1.00 . A A . 59 PRO CD 1 1 19 7787 1 1 2 PRO CG C 10.977 -3.096 3.585 1.00 . A A . 59 PRO CG 1 1 19 7788 1 1 2 PRO HA H 9.180 -5.609 2.792 1.00 . A A . 59 PRO HA 1 1 19 7789 1 1 2 PRO HB2 H 9.313 -3.620 4.828 1.00 . A A . 59 PRO HB2 1 1 19 7790 1 1 2 PRO HB3 H 10.454 -4.941 4.540 1.00 . A A . 59 PRO HB3 1 1 19 7791 1 1 2 PRO HD2 H 9.927 -1.823 2.230 1.00 . A A . 59 PRO HD2 1 1 19 7792 1 1 2 PRO HD3 H 11.409 -2.545 1.567 1.00 . A A . 59 PRO HD3 1 1 19 7793 1 1 2 PRO HG2 H 10.998 -2.227 4.225 1.00 . A A . 59 PRO HG2 1 1 19 7794 1 1 2 PRO HG3 H 11.954 -3.558 3.557 1.00 . A A . 59 PRO HG3 1 1 19 7795 1 1 2 PRO N N 9.783 -3.870 1.757 1.00 . A A . 59 PRO N 1 1 19 7796 1 1 2 PRO O O 6.955 -4.571 3.881 1.00 . A A . 59 PRO O 1 1 19 7797 1 1 3 TYR C C 5.082 -3.160 1.208 1.00 . A A . 60 TYR C 1 1 19 7798 1 1 3 TYR CA C 5.991 -2.540 2.256 1.00 . A A . 60 TYR CA 1 1 19 7799 1 1 3 TYR CB C 6.091 -1.024 2.074 1.00 . A A . 60 TYR CB 1 1 19 7800 1 1 3 TYR CD1 C 8.099 -0.161 3.337 1.00 . A A . 60 TYR CD1 1 1 19 7801 1 1 3 TYR CD2 C 5.945 0.107 4.313 1.00 . A A . 60 TYR CD2 1 1 19 7802 1 1 3 TYR CE1 C 8.679 0.443 4.438 1.00 . A A . 60 TYR CE1 1 1 19 7803 1 1 3 TYR CE2 C 6.512 0.717 5.416 1.00 . A A . 60 TYR CE2 1 1 19 7804 1 1 3 TYR CG C 6.726 -0.339 3.260 1.00 . A A . 60 TYR CG 1 1 19 7805 1 1 3 TYR CZ C 7.881 0.882 5.476 1.00 . A A . 60 TYR CZ 1 1 19 7806 1 1 3 TYR H H 7.940 -2.815 1.517 1.00 . A A . 60 TYR H 1 1 19 7807 1 1 3 TYR HA H 5.581 -2.748 3.233 1.00 . A A . 60 TYR HA 1 1 19 7808 1 1 3 TYR HB2 H 6.691 -0.808 1.202 1.00 . A A . 60 TYR HB2 1 1 19 7809 1 1 3 TYR HB3 H 5.103 -0.612 1.939 1.00 . A A . 60 TYR HB3 1 1 19 7810 1 1 3 TYR HD1 H 8.720 -0.503 2.522 1.00 . A A . 60 TYR HD1 1 1 19 7811 1 1 3 TYR HD2 H 4.871 -0.025 4.259 1.00 . A A . 60 TYR HD2 1 1 19 7812 1 1 3 TYR HE1 H 9.750 0.570 4.480 1.00 . A A . 60 TYR HE1 1 1 19 7813 1 1 3 TYR HE2 H 5.883 1.059 6.224 1.00 . A A . 60 TYR HE2 1 1 19 7814 1 1 3 TYR HH H 7.988 1.205 7.374 1.00 . A A . 60 TYR HH 1 1 19 7815 1 1 3 TYR N N 7.313 -3.127 2.200 1.00 . A A . 60 TYR N 1 1 19 7816 1 1 3 TYR O O 5.276 -2.974 0.007 1.00 . A A . 60 TYR O 1 1 19 7817 1 1 3 TYR OH O 8.455 1.483 6.576 1.00 . A A . 60 TYR OH 1 1 19 7818 1 1 4 VAL C C 1.741 -4.287 1.286 1.00 . A A . 61 VAL C 1 1 19 7819 1 1 4 VAL CA C 3.160 -4.592 0.821 1.00 . A A . 61 VAL CA 1 1 19 7820 1 1 4 VAL CB C 3.393 -6.118 0.832 1.00 . A A . 61 VAL CB 1 1 19 7821 1 1 4 VAL CG1 C 3.327 -6.665 2.247 1.00 . A A . 61 VAL CG1 1 1 19 7822 1 1 4 VAL CG2 C 2.384 -6.820 -0.055 1.00 . A A . 61 VAL CG2 1 1 19 7823 1 1 4 VAL H H 4.025 -4.037 2.646 1.00 . A A . 61 VAL H 1 1 19 7824 1 1 4 VAL HA H 3.291 -4.226 -0.189 1.00 . A A . 61 VAL HA 1 1 19 7825 1 1 4 VAL HB H 4.380 -6.314 0.440 1.00 . A A . 61 VAL HB 1 1 19 7826 1 1 4 VAL HG11 H 4.109 -6.218 2.842 1.00 . A A . 61 VAL HG11 1 1 19 7827 1 1 4 VAL HG12 H 3.455 -7.737 2.227 1.00 . A A . 61 VAL HG12 1 1 19 7828 1 1 4 VAL HG13 H 2.365 -6.423 2.676 1.00 . A A . 61 VAL HG13 1 1 19 7829 1 1 4 VAL HG21 H 2.513 -6.490 -1.074 1.00 . A A . 61 VAL HG21 1 1 19 7830 1 1 4 VAL HG22 H 1.389 -6.577 0.281 1.00 . A A . 61 VAL HG22 1 1 19 7831 1 1 4 VAL HG23 H 2.536 -7.887 0.002 1.00 . A A . 61 VAL HG23 1 1 19 7832 1 1 4 VAL N N 4.111 -3.921 1.680 1.00 . A A . 61 VAL N 1 1 19 7833 1 1 4 VAL O O 1.486 -4.162 2.483 1.00 . A A . 61 VAL O 1 1 19 7834 1 1 5 CYS C C -1.128 -5.218 1.249 1.00 . A A . 62 CYS C 1 1 19 7835 1 1 5 CYS CA C -0.567 -3.934 0.668 1.00 . A A . 62 CYS CA 1 1 19 7836 1 1 5 CYS CB C -1.371 -3.543 -0.567 1.00 . A A . 62 CYS CB 1 1 19 7837 1 1 5 CYS H H 1.107 -4.139 -0.603 1.00 . A A . 62 CYS H 1 1 19 7838 1 1 5 CYS HA H -0.638 -3.149 1.406 1.00 . A A . 62 CYS HA 1 1 19 7839 1 1 5 CYS HB2 H -0.910 -2.702 -1.043 1.00 . A A . 62 CYS HB2 1 1 19 7840 1 1 5 CYS HB3 H -1.391 -4.378 -1.247 1.00 . A A . 62 CYS HB3 1 1 19 7841 1 1 5 CYS N N 0.830 -4.127 0.339 1.00 . A A . 62 CYS N 1 1 19 7842 1 1 5 CYS O O -1.387 -6.172 0.517 1.00 . A A . 62 CYS O 1 1 19 7843 1 1 5 CYS SG S -3.071 -3.075 -0.231 1.00 . A A . 62 CYS SG 1 1 19 7844 1 1 6 GLU C C -3.123 -6.889 2.631 1.00 . A A . 63 GLU C 1 1 19 7845 1 1 6 GLU CA C -1.843 -6.370 3.286 1.00 . A A . 63 GLU CA 1 1 19 7846 1 1 6 GLU CB C -2.143 -5.960 4.730 1.00 . A A . 63 GLU CB 1 1 19 7847 1 1 6 GLU CD C -0.098 -6.540 6.097 1.00 . A A . 63 GLU CD 1 1 19 7848 1 1 6 GLU CG C -0.930 -5.436 5.483 1.00 . A A . 63 GLU CG 1 1 19 7849 1 1 6 GLU H H -1.031 -4.435 3.076 1.00 . A A . 63 GLU H 1 1 19 7850 1 1 6 GLU HA H -1.101 -7.154 3.287 1.00 . A A . 63 GLU HA 1 1 19 7851 1 1 6 GLU HB2 H -2.897 -5.186 4.721 1.00 . A A . 63 GLU HB2 1 1 19 7852 1 1 6 GLU HB3 H -2.527 -6.817 5.263 1.00 . A A . 63 GLU HB3 1 1 19 7853 1 1 6 GLU HG2 H -0.308 -4.882 4.796 1.00 . A A . 63 GLU HG2 1 1 19 7854 1 1 6 GLU HG3 H -1.268 -4.778 6.270 1.00 . A A . 63 GLU HG3 1 1 19 7855 1 1 6 GLU N N -1.300 -5.226 2.564 1.00 . A A . 63 GLU N 1 1 19 7856 1 1 6 GLU O O -3.408 -8.087 2.654 1.00 . A A . 63 GLU O 1 1 19 7857 1 1 6 GLU OE1 O 0.425 -7.379 5.337 1.00 . A A . 63 GLU OE1 1 1 19 7858 1 1 6 GLU OE2 O 0.048 -6.571 7.331 1.00 . A A . 63 GLU OE2 1 1 19 7859 1 1 7 ARG C C -5.091 -6.948 0.086 1.00 . A A . 64 ARG C 1 1 19 7860 1 1 7 ARG CA C -5.174 -6.316 1.480 1.00 . A A . 64 ARG CA 1 1 19 7861 1 1 7 ARG CB C -6.069 -5.078 1.463 1.00 . A A . 64 ARG CB 1 1 19 7862 1 1 7 ARG CD C -7.299 -3.390 2.884 1.00 . A A . 64 ARG CD 1 1 19 7863 1 1 7 ARG CG C -6.150 -4.385 2.815 1.00 . A A . 64 ARG CG 1 1 19 7864 1 1 7 ARG CZ C -8.152 -1.683 4.463 1.00 . A A . 64 ARG CZ 1 1 19 7865 1 1 7 ARG H H -3.566 -5.059 1.972 1.00 . A A . 64 ARG H 1 1 19 7866 1 1 7 ARG HA H -5.619 -7.040 2.147 1.00 . A A . 64 ARG HA 1 1 19 7867 1 1 7 ARG HB2 H -5.678 -4.373 0.743 1.00 . A A . 64 ARG HB2 1 1 19 7868 1 1 7 ARG HB3 H -7.061 -5.368 1.170 1.00 . A A . 64 ARG HB3 1 1 19 7869 1 1 7 ARG HD2 H -7.251 -2.742 2.018 1.00 . A A . 64 ARG HD2 1 1 19 7870 1 1 7 ARG HD3 H -8.233 -3.934 2.878 1.00 . A A . 64 ARG HD3 1 1 19 7871 1 1 7 ARG HE H -6.424 -2.680 4.665 1.00 . A A . 64 ARG HE 1 1 19 7872 1 1 7 ARG HG2 H -6.286 -5.130 3.581 1.00 . A A . 64 ARG HG2 1 1 19 7873 1 1 7 ARG HG3 H -5.222 -3.858 2.989 1.00 . A A . 64 ARG HG3 1 1 19 7874 1 1 7 ARG HH11 H -9.472 -2.159 2.988 1.00 . A A . 64 ARG HH11 1 1 19 7875 1 1 7 ARG HH12 H -9.989 -0.903 4.078 1.00 . A A . 64 ARG HH12 1 1 19 7876 1 1 7 ARG HH21 H -7.087 -1.026 6.069 1.00 . A A . 64 ARG HH21 1 1 19 7877 1 1 7 ARG HH22 H -8.622 -0.239 5.818 1.00 . A A . 64 ARG HH22 1 1 19 7878 1 1 7 ARG N N -3.879 -5.980 2.027 1.00 . A A . 64 ARG N 1 1 19 7879 1 1 7 ARG NE N -7.231 -2.573 4.095 1.00 . A A . 64 ARG NE 1 1 19 7880 1 1 7 ARG NH1 N -9.292 -1.570 3.788 1.00 . A A . 64 ARG NH1 1 1 19 7881 1 1 7 ARG NH2 N -7.940 -0.927 5.536 1.00 . A A . 64 ARG NH2 1 1 19 7882 1 1 7 ARG O O -5.720 -7.979 -0.143 1.00 . A A . 64 ARG O 1 1 19 7883 1 1 8 CYS C C -3.045 -7.519 -2.652 1.00 . A A . 65 CYS C 1 1 19 7884 1 1 8 CYS CA C -4.378 -6.903 -2.223 1.00 . A A . 65 CYS CA 1 1 19 7885 1 1 8 CYS CB C -4.832 -5.818 -3.205 1.00 . A A . 65 CYS CB 1 1 19 7886 1 1 8 CYS H H -3.717 -5.622 -0.635 1.00 . A A . 65 CYS H 1 1 19 7887 1 1 8 CYS HA H -5.120 -7.689 -2.224 1.00 . A A . 65 CYS HA 1 1 19 7888 1 1 8 CYS HB2 H -5.082 -6.263 -4.155 1.00 . A A . 65 CYS HB2 1 1 19 7889 1 1 8 CYS HB3 H -5.713 -5.333 -2.799 1.00 . A A . 65 CYS HB3 1 1 19 7890 1 1 8 CYS N N -4.327 -6.375 -0.856 1.00 . A A . 65 CYS N 1 1 19 7891 1 1 8 CYS O O -2.936 -8.083 -3.738 1.00 . A A . 65 CYS O 1 1 19 7892 1 1 8 CYS SG S -3.608 -4.542 -3.507 1.00 . A A . 65 CYS SG 1 1 19 7893 1 1 9 GLY C C 0.203 -7.280 -2.885 1.00 . A A . 66 GLY C 1 1 19 7894 1 1 9 GLY CA C -0.773 -8.086 -2.046 1.00 . A A . 66 GLY CA 1 1 19 7895 1 1 9 GLY H H -2.147 -6.881 -0.980 1.00 . A A . 66 GLY H 1 1 19 7896 1 1 9 GLY HA2 H -0.307 -8.303 -1.095 1.00 . A A . 66 GLY HA2 1 1 19 7897 1 1 9 GLY HA3 H -0.978 -9.020 -2.554 1.00 . A A . 66 GLY HA3 1 1 19 7898 1 1 9 GLY N N -2.034 -7.411 -1.797 1.00 . A A . 66 GLY N 1 1 19 7899 1 1 9 GLY O O 1.316 -7.736 -3.143 1.00 . A A . 66 GLY O 1 1 19 7900 1 1 10 LYS C C 1.666 -4.469 -3.272 1.00 . A A . 67 LYS C 1 1 19 7901 1 1 10 LYS CA C 0.685 -5.260 -4.134 1.00 . A A . 67 LYS CA 1 1 19 7902 1 1 10 LYS CB C -0.148 -4.321 -4.993 1.00 . A A . 67 LYS CB 1 1 19 7903 1 1 10 LYS CD C -2.086 -4.121 -6.567 1.00 . A A . 67 LYS CD 1 1 19 7904 1 1 10 LYS CE C -1.418 -3.177 -7.554 1.00 . A A . 67 LYS CE 1 1 19 7905 1 1 10 LYS CG C -1.086 -5.059 -5.931 1.00 . A A . 67 LYS CG 1 1 19 7906 1 1 10 LYS H H -1.102 -5.773 -3.109 1.00 . A A . 67 LYS H 1 1 19 7907 1 1 10 LYS HA H 1.250 -5.914 -4.782 1.00 . A A . 67 LYS HA 1 1 19 7908 1 1 10 LYS HB2 H -0.741 -3.688 -4.348 1.00 . A A . 67 LYS HB2 1 1 19 7909 1 1 10 LYS HB3 H 0.513 -3.706 -5.584 1.00 . A A . 67 LYS HB3 1 1 19 7910 1 1 10 LYS HD2 H -2.830 -4.705 -7.085 1.00 . A A . 67 LYS HD2 1 1 19 7911 1 1 10 LYS HD3 H -2.557 -3.543 -5.785 1.00 . A A . 67 LYS HD3 1 1 19 7912 1 1 10 LYS HE2 H -2.169 -2.532 -7.978 1.00 . A A . 67 LYS HE2 1 1 19 7913 1 1 10 LYS HE3 H -0.688 -2.581 -7.026 1.00 . A A . 67 LYS HE3 1 1 19 7914 1 1 10 LYS HG2 H -0.506 -5.526 -6.712 1.00 . A A . 67 LYS HG2 1 1 19 7915 1 1 10 LYS HG3 H -1.619 -5.815 -5.374 1.00 . A A . 67 LYS HG3 1 1 19 7916 1 1 10 LYS HZ1 H -0.375 -3.246 -9.366 1.00 . A A . 67 LYS HZ1 1 1 19 7917 1 1 10 LYS HZ2 H -1.405 -4.563 -9.118 1.00 . A A . 67 LYS HZ2 1 1 19 7918 1 1 10 LYS HZ3 H 0.062 -4.469 -8.278 1.00 . A A . 67 LYS HZ3 1 1 19 7919 1 1 10 LYS N N -0.194 -6.092 -3.319 1.00 . A A . 67 LYS N 1 1 19 7920 1 1 10 LYS NZ N -0.739 -3.913 -8.654 1.00 . A A . 67 LYS NZ 1 1 19 7921 1 1 10 LYS O O 1.264 -3.694 -2.404 1.00 . A A . 67 LYS O 1 1 19 7922 1 1 11 ARG C C 4.261 -2.608 -3.317 1.00 . A A . 68 ARG C 1 1 19 7923 1 1 11 ARG CA C 4.007 -4.007 -2.783 1.00 . A A . 68 ARG CA 1 1 19 7924 1 1 11 ARG CB C 5.288 -4.822 -2.855 1.00 . A A . 68 ARG CB 1 1 19 7925 1 1 11 ARG CD C 6.501 -6.873 -2.100 1.00 . A A . 68 ARG CD 1 1 19 7926 1 1 11 ARG CG C 5.191 -6.120 -2.095 1.00 . A A . 68 ARG CG 1 1 19 7927 1 1 11 ARG CZ C 7.782 -8.336 -3.613 1.00 . A A . 68 ARG CZ 1 1 19 7928 1 1 11 ARG H H 3.210 -5.381 -4.163 1.00 . A A . 68 ARG H 1 1 19 7929 1 1 11 ARG HA H 3.704 -3.930 -1.750 1.00 . A A . 68 ARG HA 1 1 19 7930 1 1 11 ARG HB2 H 5.506 -5.043 -3.890 1.00 . A A . 68 ARG HB2 1 1 19 7931 1 1 11 ARG HB3 H 6.092 -4.244 -2.435 1.00 . A A . 68 ARG HB3 1 1 19 7932 1 1 11 ARG HD2 H 7.285 -6.194 -1.807 1.00 . A A . 68 ARG HD2 1 1 19 7933 1 1 11 ARG HD3 H 6.439 -7.678 -1.383 1.00 . A A . 68 ARG HD3 1 1 19 7934 1 1 11 ARG HE H 6.293 -7.121 -4.177 1.00 . A A . 68 ARG HE 1 1 19 7935 1 1 11 ARG HG2 H 4.914 -5.899 -1.076 1.00 . A A . 68 ARG HG2 1 1 19 7936 1 1 11 ARG HG3 H 4.429 -6.732 -2.556 1.00 . A A . 68 ARG HG3 1 1 19 7937 1 1 11 ARG HH11 H 8.375 -8.398 -1.668 1.00 . A A . 68 ARG HH11 1 1 19 7938 1 1 11 ARG HH12 H 9.260 -9.431 -2.751 1.00 . A A . 68 ARG HH12 1 1 19 7939 1 1 11 ARG HH21 H 7.441 -8.485 -5.608 1.00 . A A . 68 ARG HH21 1 1 19 7940 1 1 11 ARG HH22 H 8.701 -9.514 -4.986 1.00 . A A . 68 ARG HH22 1 1 19 7941 1 1 11 ARG N N 2.954 -4.696 -3.504 1.00 . A A . 68 ARG N 1 1 19 7942 1 1 11 ARG NE N 6.826 -7.429 -3.411 1.00 . A A . 68 ARG NE 1 1 19 7943 1 1 11 ARG NH1 N 8.529 -8.759 -2.597 1.00 . A A . 68 ARG NH1 1 1 19 7944 1 1 11 ARG NH2 N 7.996 -8.812 -4.832 1.00 . A A . 68 ARG NH2 1 1 19 7945 1 1 11 ARG O O 3.952 -2.295 -4.468 1.00 . A A . 68 ARG O 1 1 19 7946 1 1 12 PHE C C 6.481 -0.013 -2.180 1.00 . A A . 69 PHE C 1 1 19 7947 1 1 12 PHE CA C 5.145 -0.400 -2.761 1.00 . A A . 69 PHE CA 1 1 19 7948 1 1 12 PHE CB C 4.041 0.513 -2.223 1.00 . A A . 69 PHE CB 1 1 19 7949 1 1 12 PHE CD1 C 1.902 -0.241 -3.286 1.00 . A A . 69 PHE CD1 1 1 19 7950 1 1 12 PHE CD2 C 2.860 1.816 -4.008 1.00 . A A . 69 PHE CD2 1 1 19 7951 1 1 12 PHE CE1 C 0.854 -0.066 -4.164 1.00 . A A . 69 PHE CE1 1 1 19 7952 1 1 12 PHE CE2 C 1.810 2.000 -4.883 1.00 . A A . 69 PHE CE2 1 1 19 7953 1 1 12 PHE CG C 2.917 0.696 -3.200 1.00 . A A . 69 PHE CG 1 1 19 7954 1 1 12 PHE CZ C 0.874 1.012 -5.049 1.00 . A A . 69 PHE CZ 1 1 19 7955 1 1 12 PHE H H 5.133 -2.144 -1.592 1.00 . A A . 69 PHE H 1 1 19 7956 1 1 12 PHE HA H 5.200 -0.283 -3.830 1.00 . A A . 69 PHE HA 1 1 19 7957 1 1 12 PHE HB2 H 3.632 0.082 -1.320 1.00 . A A . 69 PHE HB2 1 1 19 7958 1 1 12 PHE HB3 H 4.459 1.486 -2.004 1.00 . A A . 69 PHE HB3 1 1 19 7959 1 1 12 PHE HD1 H 1.941 -1.123 -2.664 1.00 . A A . 69 PHE HD1 1 1 19 7960 1 1 12 PHE HD2 H 3.648 2.552 -3.949 1.00 . A A . 69 PHE HD2 1 1 19 7961 1 1 12 PHE HE1 H 0.068 -0.806 -4.224 1.00 . A A . 69 PHE HE1 1 1 19 7962 1 1 12 PHE HE2 H 1.777 2.880 -5.508 1.00 . A A . 69 PHE HE2 1 1 19 7963 1 1 12 PHE HZ H 0.079 1.133 -5.770 1.00 . A A . 69 PHE HZ 1 1 19 7964 1 1 12 PHE N N 4.855 -1.790 -2.464 1.00 . A A . 69 PHE N 1 1 19 7965 1 1 12 PHE O O 6.917 -0.530 -1.151 1.00 . A A . 69 PHE O 1 1 19 7966 1 1 13 VAL C C 8.315 2.437 -1.453 1.00 . A A . 70 VAL C 1 1 19 7967 1 1 13 VAL CA C 8.426 1.369 -2.529 1.00 . A A . 70 VAL CA 1 1 19 7968 1 1 13 VAL CB C 9.101 1.948 -3.787 1.00 . A A . 70 VAL CB 1 1 19 7969 1 1 13 VAL CG1 C 10.285 2.804 -3.418 1.00 . A A . 70 VAL CG1 1 1 19 7970 1 1 13 VAL CG2 C 9.515 0.833 -4.735 1.00 . A A . 70 VAL CG2 1 1 19 7971 1 1 13 VAL H H 6.699 1.258 -3.671 1.00 . A A . 70 VAL H 1 1 19 7972 1 1 13 VAL HA H 9.019 0.544 -2.166 1.00 . A A . 70 VAL HA 1 1 19 7973 1 1 13 VAL HB H 8.381 2.571 -4.298 1.00 . A A . 70 VAL HB 1 1 19 7974 1 1 13 VAL HG11 H 10.984 2.218 -2.845 1.00 . A A . 70 VAL HG11 1 1 19 7975 1 1 13 VAL HG12 H 9.938 3.638 -2.829 1.00 . A A . 70 VAL HG12 1 1 19 7976 1 1 13 VAL HG13 H 10.760 3.165 -4.316 1.00 . A A . 70 VAL HG13 1 1 19 7977 1 1 13 VAL HG21 H 8.641 0.281 -5.049 1.00 . A A . 70 VAL HG21 1 1 19 7978 1 1 13 VAL HG22 H 10.199 0.166 -4.228 1.00 . A A . 70 VAL HG22 1 1 19 7979 1 1 13 VAL HG23 H 10.002 1.258 -5.600 1.00 . A A . 70 VAL HG23 1 1 19 7980 1 1 13 VAL N N 7.126 0.886 -2.880 1.00 . A A . 70 VAL N 1 1 19 7981 1 1 13 VAL O O 9.178 2.550 -0.583 1.00 . A A . 70 VAL O 1 1 19 7982 1 1 14 GLN C C 6.155 3.884 0.535 1.00 . A A . 71 GLN C 1 1 19 7983 1 1 14 GLN CA C 7.041 4.304 -0.623 1.00 . A A . 71 GLN CA 1 1 19 7984 1 1 14 GLN CB C 6.378 5.400 -1.428 1.00 . A A . 71 GLN CB 1 1 19 7985 1 1 14 GLN CD C 8.158 6.881 -2.449 1.00 . A A . 71 GLN CD 1 1 19 7986 1 1 14 GLN CG C 7.147 5.778 -2.681 1.00 . A A . 71 GLN CG 1 1 19 7987 1 1 14 GLN H H 6.537 3.038 -2.177 1.00 . A A . 71 GLN H 1 1 19 7988 1 1 14 GLN HA H 7.996 4.643 -0.259 1.00 . A A . 71 GLN HA 1 1 19 7989 1 1 14 GLN HB2 H 5.389 5.066 -1.725 1.00 . A A . 71 GLN HB2 1 1 19 7990 1 1 14 GLN HB3 H 6.287 6.263 -0.813 1.00 . A A . 71 GLN HB3 1 1 19 7991 1 1 14 GLN HE21 H 7.913 7.518 -4.317 1.00 . A A . 71 GLN HE21 1 1 19 7992 1 1 14 GLN HE22 H 9.055 8.406 -3.360 1.00 . A A . 71 GLN HE22 1 1 19 7993 1 1 14 GLN HG2 H 7.672 4.906 -3.037 1.00 . A A . 71 GLN HG2 1 1 19 7994 1 1 14 GLN HG3 H 6.445 6.097 -3.432 1.00 . A A . 71 GLN HG3 1 1 19 7995 1 1 14 GLN N N 7.235 3.207 -1.511 1.00 . A A . 71 GLN N 1 1 19 7996 1 1 14 GLN NE2 N 8.398 7.681 -3.476 1.00 . A A . 71 GLN NE2 1 1 19 7997 1 1 14 GLN O O 5.065 3.345 0.331 1.00 . A A . 71 GLN O 1 1 19 7998 1 1 14 GLN OE1 O 8.706 7.023 -1.355 1.00 . A A . 71 GLN OE1 1 1 19 7999 1 1 15 SER C C 4.549 4.595 2.930 1.00 . A A . 72 SER C 1 1 19 8000 1 1 15 SER CA C 5.872 3.841 2.950 1.00 . A A . 72 SER CA 1 1 19 8001 1 1 15 SER CB C 6.688 4.238 4.179 1.00 . A A . 72 SER CB 1 1 19 8002 1 1 15 SER H H 7.520 4.542 1.837 1.00 . A A . 72 SER H 1 1 19 8003 1 1 15 SER HA H 5.679 2.780 2.973 1.00 . A A . 72 SER HA 1 1 19 8004 1 1 15 SER HB2 H 6.681 5.313 4.284 1.00 . A A . 72 SER HB2 1 1 19 8005 1 1 15 SER HB3 H 6.256 3.785 5.059 1.00 . A A . 72 SER HB3 1 1 19 8006 1 1 15 SER HG H 8.579 4.232 4.721 1.00 . A A . 72 SER HG 1 1 19 8007 1 1 15 SER N N 6.627 4.144 1.747 1.00 . A A . 72 SER N 1 1 19 8008 1 1 15 SER O O 3.485 4.031 3.197 1.00 . A A . 72 SER O 1 1 19 8009 1 1 15 SER OG O 8.030 3.800 4.047 1.00 . A A . 72 SER OG 1 1 19 8010 1 1 16 SER C C 2.516 6.240 1.382 1.00 . A A . 73 SER C 1 1 19 8011 1 1 16 SER CA C 3.450 6.713 2.495 1.00 . A A . 73 SER CA 1 1 19 8012 1 1 16 SER CB C 3.860 8.174 2.269 1.00 . A A . 73 SER CB 1 1 19 8013 1 1 16 SER H H 5.504 6.247 2.333 1.00 . A A . 73 SER H 1 1 19 8014 1 1 16 SER HA H 2.933 6.635 3.441 1.00 . A A . 73 SER HA 1 1 19 8015 1 1 16 SER HB2 H 4.630 8.445 2.976 1.00 . A A . 73 SER HB2 1 1 19 8016 1 1 16 SER HB3 H 4.240 8.287 1.264 1.00 . A A . 73 SER HB3 1 1 19 8017 1 1 16 SER HG H 3.061 9.966 2.366 1.00 . A A . 73 SER HG 1 1 19 8018 1 1 16 SER N N 4.626 5.867 2.561 1.00 . A A . 73 SER N 1 1 19 8019 1 1 16 SER O O 1.294 6.235 1.550 1.00 . A A . 73 SER O 1 1 19 8020 1 1 16 SER OG O 2.761 9.050 2.440 1.00 . A A . 73 SER OG 1 1 19 8021 1 1 17 GLN C C 1.598 4.103 -0.625 1.00 . A A . 74 GLN C 1 1 19 8022 1 1 17 GLN CA C 2.301 5.415 -0.890 1.00 . A A . 74 GLN CA 1 1 19 8023 1 1 17 GLN CB C 3.179 5.308 -2.137 1.00 . A A . 74 GLN CB 1 1 19 8024 1 1 17 GLN CD C 1.535 6.501 -3.625 1.00 . A A . 74 GLN CD 1 1 19 8025 1 1 17 GLN CG C 2.389 5.266 -3.431 1.00 . A A . 74 GLN CG 1 1 19 8026 1 1 17 GLN H H 4.053 5.619 0.251 1.00 . A A . 74 GLN H 1 1 19 8027 1 1 17 GLN HA H 1.558 6.186 -1.043 1.00 . A A . 74 GLN HA 1 1 19 8028 1 1 17 GLN HB2 H 3.845 6.161 -2.172 1.00 . A A . 74 GLN HB2 1 1 19 8029 1 1 17 GLN HB3 H 3.767 4.402 -2.071 1.00 . A A . 74 GLN HB3 1 1 19 8030 1 1 17 GLN HE21 H 3.000 7.410 -4.608 1.00 . A A . 74 GLN HE21 1 1 19 8031 1 1 17 GLN HE22 H 1.542 8.326 -4.409 1.00 . A A . 74 GLN HE22 1 1 19 8032 1 1 17 GLN HG2 H 3.078 5.187 -4.257 1.00 . A A . 74 GLN HG2 1 1 19 8033 1 1 17 GLN HG3 H 1.745 4.400 -3.416 1.00 . A A . 74 GLN HG3 1 1 19 8034 1 1 17 GLN N N 3.090 5.773 0.271 1.00 . A A . 74 GLN N 1 1 19 8035 1 1 17 GLN NE2 N 2.080 7.511 -4.281 1.00 . A A . 74 GLN NE2 1 1 19 8036 1 1 17 GLN O O 0.519 3.855 -1.142 1.00 . A A . 74 GLN O 1 1 19 8037 1 1 17 GLN OE1 O 0.386 6.542 -3.194 1.00 . A A . 74 GLN OE1 1 1 19 8038 1 1 18 LEU C C 0.331 2.345 1.405 1.00 . A A . 75 LEU C 1 1 19 8039 1 1 18 LEU CA C 1.601 2.043 0.642 1.00 . A A . 75 LEU CA 1 1 19 8040 1 1 18 LEU CB C 2.547 1.256 1.549 1.00 . A A . 75 LEU CB 1 1 19 8041 1 1 18 LEU CD1 C 1.404 -0.919 1.353 1.00 . A A . 75 LEU CD1 1 1 19 8042 1 1 18 LEU CD2 C 2.767 -0.455 3.371 1.00 . A A . 75 LEU CD2 1 1 19 8043 1 1 18 LEU CG C 1.860 0.137 2.317 1.00 . A A . 75 LEU CG 1 1 19 8044 1 1 18 LEU H H 3.130 3.487 0.500 1.00 . A A . 75 LEU H 1 1 19 8045 1 1 18 LEU HA H 1.349 1.458 -0.226 1.00 . A A . 75 LEU HA 1 1 19 8046 1 1 18 LEU HB2 H 3.332 0.823 0.939 1.00 . A A . 75 LEU HB2 1 1 19 8047 1 1 18 LEU HB3 H 2.990 1.938 2.262 1.00 . A A . 75 LEU HB3 1 1 19 8048 1 1 18 LEU HD11 H 0.858 -1.680 1.886 1.00 . A A . 75 LEU HD11 1 1 19 8049 1 1 18 LEU HD12 H 2.268 -1.357 0.876 1.00 . A A . 75 LEU HD12 1 1 19 8050 1 1 18 LEU HD13 H 0.767 -0.463 0.609 1.00 . A A . 75 LEU HD13 1 1 19 8051 1 1 18 LEU HD21 H 2.242 -1.234 3.901 1.00 . A A . 75 LEU HD21 1 1 19 8052 1 1 18 LEU HD22 H 3.061 0.319 4.065 1.00 . A A . 75 LEU HD22 1 1 19 8053 1 1 18 LEU HD23 H 3.643 -0.869 2.897 1.00 . A A . 75 LEU HD23 1 1 19 8054 1 1 18 LEU HG H 0.986 0.536 2.811 1.00 . A A . 75 LEU HG 1 1 19 8055 1 1 18 LEU N N 2.222 3.273 0.196 1.00 . A A . 75 LEU N 1 1 19 8056 1 1 18 LEU O O -0.753 1.888 1.046 1.00 . A A . 75 LEU O 1 1 19 8057 1 1 19 ALA C C -1.637 4.263 2.402 1.00 . A A . 76 ALA C 1 1 19 8058 1 1 19 ALA CA C -0.640 3.525 3.272 1.00 . A A . 76 ALA CA 1 1 19 8059 1 1 19 ALA CB C -0.178 4.391 4.436 1.00 . A A . 76 ALA CB 1 1 19 8060 1 1 19 ALA H H 1.397 3.325 2.757 1.00 . A A . 76 ALA H 1 1 19 8061 1 1 19 ALA HA H -1.127 2.645 3.670 1.00 . A A . 76 ALA HA 1 1 19 8062 1 1 19 ALA HB1 H -1.027 4.648 5.054 1.00 . A A . 76 ALA HB1 1 1 19 8063 1 1 19 ALA HB2 H 0.277 5.294 4.055 1.00 . A A . 76 ALA HB2 1 1 19 8064 1 1 19 ALA HB3 H 0.543 3.845 5.026 1.00 . A A . 76 ALA HB3 1 1 19 8065 1 1 19 ALA N N 0.490 3.091 2.478 1.00 . A A . 76 ALA N 1 1 19 8066 1 1 19 ALA O O -2.837 4.065 2.545 1.00 . A A . 76 ALA O 1 1 19 8067 1 1 20 ASN C C -2.803 4.763 -0.278 1.00 . A A . 77 ASN C 1 1 19 8068 1 1 20 ASN CA C -2.036 5.781 0.558 1.00 . A A . 77 ASN CA 1 1 19 8069 1 1 20 ASN CB C -1.256 6.733 -0.354 1.00 . A A . 77 ASN CB 1 1 19 8070 1 1 20 ASN CG C -2.169 7.638 -1.163 1.00 . A A . 77 ASN CG 1 1 19 8071 1 1 20 ASN H H -0.158 5.211 1.401 1.00 . A A . 77 ASN H 1 1 19 8072 1 1 20 ASN HA H -2.738 6.350 1.151 1.00 . A A . 77 ASN HA 1 1 19 8073 1 1 20 ASN HB2 H -0.610 7.354 0.249 1.00 . A A . 77 ASN HB2 1 1 19 8074 1 1 20 ASN HB3 H -0.654 6.154 -1.039 1.00 . A A . 77 ASN HB3 1 1 19 8075 1 1 20 ASN HD21 H -0.848 7.668 -2.652 1.00 . A A . 77 ASN HD21 1 1 19 8076 1 1 20 ASN HD22 H -2.302 8.598 -2.897 1.00 . A A . 77 ASN HD22 1 1 19 8077 1 1 20 ASN N N -1.143 5.079 1.473 1.00 . A A . 77 ASN N 1 1 19 8078 1 1 20 ASN ND2 N -1.733 8.004 -2.356 1.00 . A A . 77 ASN ND2 1 1 19 8079 1 1 20 ASN O O -4.017 4.867 -0.450 1.00 . A A . 77 ASN O 1 1 19 8080 1 1 20 ASN OD1 O -3.252 8.009 -0.718 1.00 . A A . 77 ASN OD1 1 1 19 8081 1 1 21 HIS C C -3.771 1.981 -0.781 1.00 . A A . 78 HIS C 1 1 19 8082 1 1 21 HIS CA C -2.655 2.689 -1.550 1.00 . A A . 78 HIS CA 1 1 19 8083 1 1 21 HIS CB C -1.529 1.715 -1.929 1.00 . A A . 78 HIS CB 1 1 19 8084 1 1 21 HIS CD2 C -2.180 -0.758 -2.080 1.00 . A A . 78 HIS CD2 1 1 19 8085 1 1 21 HIS CE1 C -2.519 -0.928 -4.207 1.00 . A A . 78 HIS CE1 1 1 19 8086 1 1 21 HIS CG C -1.966 0.463 -2.606 1.00 . A A . 78 HIS CG 1 1 19 8087 1 1 21 HIS H H -1.114 3.708 -0.532 1.00 . A A . 78 HIS H 1 1 19 8088 1 1 21 HIS HA H -3.065 3.127 -2.449 1.00 . A A . 78 HIS HA 1 1 19 8089 1 1 21 HIS HB2 H -0.841 2.214 -2.591 1.00 . A A . 78 HIS HB2 1 1 19 8090 1 1 21 HIS HB3 H -1.001 1.431 -1.026 1.00 . A A . 78 HIS HB3 1 1 19 8091 1 1 21 HIS HD1 H -2.111 1.061 -4.624 1.00 . A A . 78 HIS HD1 1 1 19 8092 1 1 21 HIS HD2 H -2.090 -1.017 -1.037 1.00 . A A . 78 HIS HD2 1 1 19 8093 1 1 21 HIS HE1 H -2.746 -1.317 -5.189 1.00 . A A . 78 HIS HE1 1 1 19 8094 1 1 21 HIS N N -2.083 3.752 -0.746 1.00 . A A . 78 HIS N 1 1 19 8095 1 1 21 HIS ND1 N -2.186 0.341 -3.957 1.00 . A A . 78 HIS ND1 1 1 19 8096 1 1 21 HIS NE2 N -2.534 -1.646 -3.093 1.00 . A A . 78 HIS NE2 1 1 19 8097 1 1 21 HIS O O -4.887 1.834 -1.277 1.00 . A A . 78 HIS O 1 1 19 8098 1 1 22 ILE C C -5.546 1.725 1.758 1.00 . A A . 79 ILE C 1 1 19 8099 1 1 22 ILE CA C -4.408 0.833 1.264 1.00 . A A . 79 ILE CA 1 1 19 8100 1 1 22 ILE CB C -3.675 0.195 2.447 1.00 . A A . 79 ILE CB 1 1 19 8101 1 1 22 ILE CD1 C -1.976 -1.630 2.924 1.00 . A A . 79 ILE CD1 1 1 19 8102 1 1 22 ILE CG1 C -2.570 -0.703 1.902 1.00 . A A . 79 ILE CG1 1 1 19 8103 1 1 22 ILE CG2 C -4.638 -0.589 3.321 1.00 . A A . 79 ILE CG2 1 1 19 8104 1 1 22 ILE H H -2.570 1.756 0.802 1.00 . A A . 79 ILE H 1 1 19 8105 1 1 22 ILE HA H -4.826 0.031 0.661 1.00 . A A . 79 ILE HA 1 1 19 8106 1 1 22 ILE HB H -3.235 0.979 3.042 1.00 . A A . 79 ILE HB 1 1 19 8107 1 1 22 ILE HD11 H -1.326 -2.336 2.426 1.00 . A A . 79 ILE HD11 1 1 19 8108 1 1 22 ILE HD12 H -2.775 -2.157 3.425 1.00 . A A . 79 ILE HD12 1 1 19 8109 1 1 22 ILE HD13 H -1.410 -1.056 3.641 1.00 . A A . 79 ILE HD13 1 1 19 8110 1 1 22 ILE HG12 H -2.971 -1.309 1.102 1.00 . A A . 79 ILE HG12 1 1 19 8111 1 1 22 ILE HG13 H -1.771 -0.082 1.512 1.00 . A A . 79 ILE HG13 1 1 19 8112 1 1 22 ILE HG21 H -5.122 -1.349 2.727 1.00 . A A . 79 ILE HG21 1 1 19 8113 1 1 22 ILE HG22 H -5.380 0.082 3.725 1.00 . A A . 79 ILE HG22 1 1 19 8114 1 1 22 ILE HG23 H -4.094 -1.054 4.126 1.00 . A A . 79 ILE HG23 1 1 19 8115 1 1 22 ILE N N -3.467 1.569 0.441 1.00 . A A . 79 ILE N 1 1 19 8116 1 1 22 ILE O O -6.674 1.266 1.905 1.00 . A A . 79 ILE O 1 1 19 8117 1 1 23 ARG C C -7.318 4.113 1.241 1.00 . A A . 80 ARG C 1 1 19 8118 1 1 23 ARG CA C -6.294 3.946 2.363 1.00 . A A . 80 ARG CA 1 1 19 8119 1 1 23 ARG CB C -5.651 5.275 2.703 1.00 . A A . 80 ARG CB 1 1 19 8120 1 1 23 ARG CD C -6.158 5.224 5.170 1.00 . A A . 80 ARG CD 1 1 19 8121 1 1 23 ARG CG C -5.072 5.321 4.106 1.00 . A A . 80 ARG CG 1 1 19 8122 1 1 23 ARG CZ C -6.335 5.274 7.636 1.00 . A A . 80 ARG CZ 1 1 19 8123 1 1 23 ARG H H -4.323 3.314 1.995 1.00 . A A . 80 ARG H 1 1 19 8124 1 1 23 ARG HA H -6.798 3.569 3.240 1.00 . A A . 80 ARG HA 1 1 19 8125 1 1 23 ARG HB2 H -4.850 5.461 2.001 1.00 . A A . 80 ARG HB2 1 1 19 8126 1 1 23 ARG HB3 H -6.379 6.042 2.605 1.00 . A A . 80 ARG HB3 1 1 19 8127 1 1 23 ARG HD2 H -6.844 6.048 5.047 1.00 . A A . 80 ARG HD2 1 1 19 8128 1 1 23 ARG HD3 H -6.689 4.292 5.041 1.00 . A A . 80 ARG HD3 1 1 19 8129 1 1 23 ARG HE H -4.615 5.303 6.602 1.00 . A A . 80 ARG HE 1 1 19 8130 1 1 23 ARG HG2 H -4.394 4.492 4.227 1.00 . A A . 80 ARG HG2 1 1 19 8131 1 1 23 ARG HG3 H -4.534 6.246 4.230 1.00 . A A . 80 ARG HG3 1 1 19 8132 1 1 23 ARG HH11 H -8.127 5.196 6.674 1.00 . A A . 80 ARG HH11 1 1 19 8133 1 1 23 ARG HH12 H -8.209 5.208 8.415 1.00 . A A . 80 ARG HH12 1 1 19 8134 1 1 23 ARG HH21 H -4.740 5.378 8.889 1.00 . A A . 80 ARG HH21 1 1 19 8135 1 1 23 ARG HH22 H -6.297 5.343 9.660 1.00 . A A . 80 ARG HH22 1 1 19 8136 1 1 23 ARG N N -5.260 2.999 2.008 1.00 . A A . 80 ARG N 1 1 19 8137 1 1 23 ARG NE N -5.601 5.270 6.522 1.00 . A A . 80 ARG NE 1 1 19 8138 1 1 23 ARG NH1 N -7.661 5.226 7.568 1.00 . A A . 80 ARG NH1 1 1 19 8139 1 1 23 ARG NH2 N -5.745 5.333 8.821 1.00 . A A . 80 ARG NH2 1 1 19 8140 1 1 23 ARG O O -8.434 4.574 1.476 1.00 . A A . 80 ARG O 1 1 19 8141 1 1 24 HIS C C -8.610 2.429 -1.215 1.00 . A A . 81 HIS C 1 1 19 8142 1 1 24 HIS CA C -7.874 3.761 -1.097 1.00 . A A . 81 HIS CA 1 1 19 8143 1 1 24 HIS CB C -7.163 4.098 -2.409 1.00 . A A . 81 HIS CB 1 1 19 8144 1 1 24 HIS CD2 C -5.759 6.274 -2.358 1.00 . A A . 81 HIS CD2 1 1 19 8145 1 1 24 HIS CE1 C -7.306 7.667 -3.038 1.00 . A A . 81 HIS CE1 1 1 19 8146 1 1 24 HIS CG C -6.884 5.557 -2.573 1.00 . A A . 81 HIS CG 1 1 19 8147 1 1 24 HIS H H -6.016 3.444 -0.125 1.00 . A A . 81 HIS H 1 1 19 8148 1 1 24 HIS HA H -8.603 4.533 -0.890 1.00 . A A . 81 HIS HA 1 1 19 8149 1 1 24 HIS HB2 H -6.220 3.574 -2.446 1.00 . A A . 81 HIS HB2 1 1 19 8150 1 1 24 HIS HB3 H -7.779 3.782 -3.238 1.00 . A A . 81 HIS HB3 1 1 19 8151 1 1 24 HIS HD1 H -8.772 6.244 -3.230 1.00 . A A . 81 HIS HD1 1 1 19 8152 1 1 24 HIS HD2 H -4.809 5.889 -2.013 1.00 . A A . 81 HIS HD2 1 1 19 8153 1 1 24 HIS HE1 H -7.817 8.572 -3.336 1.00 . A A . 81 HIS HE1 1 1 19 8154 1 1 24 HIS HE2 H -5.406 8.334 -2.624 1.00 . A A . 81 HIS HE2 1 1 19 8155 1 1 24 HIS N N -6.941 3.739 0.023 1.00 . A A . 81 HIS N 1 1 19 8156 1 1 24 HIS ND1 N -7.833 6.459 -2.999 1.00 . A A . 81 HIS ND1 1 1 19 8157 1 1 24 HIS NE2 N -6.048 7.581 -2.651 1.00 . A A . 81 HIS NE2 1 1 19 8158 1 1 24 HIS O O -9.358 2.203 -2.163 1.00 . A A . 81 HIS O 1 1 19 8159 1 1 25 HIS C C -10.330 0.518 0.776 1.00 . A A . 82 HIS C 1 1 19 8160 1 1 25 HIS CA C -9.136 0.306 -0.136 1.00 . A A . 82 HIS CA 1 1 19 8161 1 1 25 HIS CB C -8.261 -0.815 0.434 1.00 . A A . 82 HIS CB 1 1 19 8162 1 1 25 HIS CD2 C -6.389 -2.290 -0.459 1.00 . A A . 82 HIS CD2 1 1 19 8163 1 1 25 HIS CE1 C -7.062 -2.652 -2.469 1.00 . A A . 82 HIS CE1 1 1 19 8164 1 1 25 HIS CG C -7.557 -1.645 -0.581 1.00 . A A . 82 HIS CG 1 1 19 8165 1 1 25 HIS H H -7.692 1.747 0.425 1.00 . A A . 82 HIS H 1 1 19 8166 1 1 25 HIS HA H -9.487 0.031 -1.116 1.00 . A A . 82 HIS HA 1 1 19 8167 1 1 25 HIS HB2 H -7.496 -0.377 1.065 1.00 . A A . 82 HIS HB2 1 1 19 8168 1 1 25 HIS HB3 H -8.864 -1.469 1.033 1.00 . A A . 82 HIS HB3 1 1 19 8169 1 1 25 HIS HD1 H -8.838 -1.569 -2.267 1.00 . A A . 82 HIS HD1 1 1 19 8170 1 1 25 HIS HD2 H -5.779 -2.323 0.433 1.00 . A A . 82 HIS HD2 1 1 19 8171 1 1 25 HIS HE1 H -7.126 -3.027 -3.484 1.00 . A A . 82 HIS HE1 1 1 19 8172 1 1 25 HIS N N -8.383 1.550 -0.247 1.00 . A A . 82 HIS N 1 1 19 8173 1 1 25 HIS ND1 N -7.991 -1.883 -1.868 1.00 . A A . 82 HIS ND1 1 1 19 8174 1 1 25 HIS NE2 N -6.070 -2.915 -1.646 1.00 . A A . 82 HIS NE2 1 1 19 8175 1 1 25 HIS O O -11.164 -0.369 0.953 1.00 . A A . 82 HIS O 1 1 19 8176 1 1 26 ASP C C -12.428 3.001 1.681 1.00 . A A . 83 ASP C 1 1 19 8177 1 1 26 ASP CA C -11.424 2.049 2.312 1.00 . A A . 83 ASP CA 1 1 19 8178 1 1 26 ASP CB C -10.789 2.683 3.548 1.00 . A A . 83 ASP CB 1 1 19 8179 1 1 26 ASP CG C -11.796 2.979 4.639 1.00 . A A . 83 ASP CG 1 1 19 8180 1 1 26 ASP H H -9.723 2.380 1.117 1.00 . A A . 83 ASP H 1 1 19 8181 1 1 26 ASP HA H -11.931 1.140 2.598 1.00 . A A . 83 ASP HA 1 1 19 8182 1 1 26 ASP HB2 H -10.043 2.008 3.947 1.00 . A A . 83 ASP HB2 1 1 19 8183 1 1 26 ASP HB3 H -10.315 3.612 3.259 1.00 . A A . 83 ASP HB3 1 1 19 8184 1 1 26 ASP N N -10.390 1.705 1.354 1.00 . A A . 83 ASP N 1 1 19 8185 1 1 26 ASP O O -13.502 2.537 1.251 1.00 . A A . 83 ASP O 1 1 19 8186 1 1 26 ASP OXT O -12.127 4.210 1.581 1.00 . A A . 83 ASP OXT 1 1 19 8187 1 1 26 ASP OD1 O -12.357 2.022 5.217 1.00 . A A . 83 ASP OD1 1 1 19 8188 1 1 26 ASP OD2 O -12.056 4.171 4.902 1.00 . A A . 83 ASP OD2 1 1 19 8189 2 2 1 ZN ZN ZN -4.172 -2.721 -2.227 1.00 . B A . 101 ZN ZN 1 1 20 8190 1 1 1 LYS C C 9.963 -3.304 1.950 1.00 . A A . 58 LYS C 1 1 20 8191 1 1 1 LYS CA C 11.165 -2.475 1.505 1.00 . A A . 58 LYS CA 1 1 20 8192 1 1 1 LYS CB C 10.722 -1.343 0.573 1.00 . A A . 58 LYS CB 1 1 20 8193 1 1 1 LYS CD C 10.634 0.249 2.510 1.00 . A A . 58 LYS CD 1 1 20 8194 1 1 1 LYS CE C 10.061 1.567 3.004 1.00 . A A . 58 LYS CE 1 1 20 8195 1 1 1 LYS CG C 9.920 -0.252 1.264 1.00 . A A . 58 LYS CG 1 1 20 8196 1 1 1 LYS H1 H 12.533 -4.045 1.489 1.00 . A A . 58 LYS H1 1 1 20 8197 1 1 1 LYS H2 H 12.939 -2.763 0.451 1.00 . A A . 58 LYS H2 1 1 20 8198 1 1 1 LYS H3 H 11.701 -3.840 0.028 1.00 . A A . 58 LYS H3 1 1 20 8199 1 1 1 LYS HA H 11.637 -2.051 2.380 1.00 . A A . 58 LYS HA 1 1 20 8200 1 1 1 LYS HB2 H 11.599 -0.891 0.133 1.00 . A A . 58 LYS HB2 1 1 20 8201 1 1 1 LYS HB3 H 10.112 -1.761 -0.215 1.00 . A A . 58 LYS HB3 1 1 20 8202 1 1 1 LYS HD2 H 10.532 -0.489 3.290 1.00 . A A . 58 LYS HD2 1 1 20 8203 1 1 1 LYS HD3 H 11.680 0.387 2.279 1.00 . A A . 58 LYS HD3 1 1 20 8204 1 1 1 LYS HE2 H 8.982 1.506 2.995 1.00 . A A . 58 LYS HE2 1 1 20 8205 1 1 1 LYS HE3 H 10.404 1.739 4.014 1.00 . A A . 58 LYS HE3 1 1 20 8206 1 1 1 LYS HG2 H 9.788 0.574 0.581 1.00 . A A . 58 LYS HG2 1 1 20 8207 1 1 1 LYS HG3 H 8.957 -0.648 1.547 1.00 . A A . 58 LYS HG3 1 1 20 8208 1 1 1 LYS HZ1 H 10.147 2.569 1.170 1.00 . A A . 58 LYS HZ1 1 1 20 8209 1 1 1 LYS HZ2 H 11.530 2.765 2.132 1.00 . A A . 58 LYS HZ2 1 1 20 8210 1 1 1 LYS HZ3 H 10.105 3.599 2.518 1.00 . A A . 58 LYS HZ3 1 1 20 8211 1 1 1 LYS N N 12.152 -3.338 0.821 1.00 . A A . 58 LYS N 1 1 20 8212 1 1 1 LYS NZ N 10.490 2.703 2.147 1.00 . A A . 58 LYS NZ 1 1 20 8213 1 1 1 LYS O O 9.159 -3.741 1.126 1.00 . A A . 58 LYS O 1 1 20 8214 1 1 2 PRO C C 7.407 -3.733 3.925 1.00 . A A . 59 PRO C 1 1 20 8215 1 1 2 PRO CA C 8.784 -4.393 3.829 1.00 . A A . 59 PRO CA 1 1 20 8216 1 1 2 PRO CB C 9.330 -4.685 5.220 1.00 . A A . 59 PRO CB 1 1 20 8217 1 1 2 PRO CD C 10.661 -2.925 4.324 1.00 . A A . 59 PRO CD 1 1 20 8218 1 1 2 PRO CG C 10.040 -3.438 5.594 1.00 . A A . 59 PRO CG 1 1 20 8219 1 1 2 PRO HA H 8.702 -5.312 3.278 1.00 . A A . 59 PRO HA 1 1 20 8220 1 1 2 PRO HB2 H 8.513 -4.897 5.898 1.00 . A A . 59 PRO HB2 1 1 20 8221 1 1 2 PRO HB3 H 10.005 -5.527 5.178 1.00 . A A . 59 PRO HB3 1 1 20 8222 1 1 2 PRO HD2 H 10.618 -1.846 4.294 1.00 . A A . 59 PRO HD2 1 1 20 8223 1 1 2 PRO HD3 H 11.682 -3.267 4.239 1.00 . A A . 59 PRO HD3 1 1 20 8224 1 1 2 PRO HG2 H 9.332 -2.721 5.980 1.00 . A A . 59 PRO HG2 1 1 20 8225 1 1 2 PRO HG3 H 10.802 -3.651 6.328 1.00 . A A . 59 PRO HG3 1 1 20 8226 1 1 2 PRO N N 9.818 -3.517 3.267 1.00 . A A . 59 PRO N 1 1 20 8227 1 1 2 PRO O O 6.733 -3.829 4.952 1.00 . A A . 59 PRO O 1 1 20 8228 1 1 3 TYR C C 4.854 -2.923 1.654 1.00 . A A . 60 TYR C 1 1 20 8229 1 1 3 TYR CA C 5.674 -2.448 2.838 1.00 . A A . 60 TYR CA 1 1 20 8230 1 1 3 TYR CB C 5.789 -0.923 2.855 1.00 . A A . 60 TYR CB 1 1 20 8231 1 1 3 TYR CD1 C 6.829 -0.297 5.063 1.00 . A A . 60 TYR CD1 1 1 20 8232 1 1 3 TYR CD2 C 4.503 0.127 4.761 1.00 . A A . 60 TYR CD2 1 1 20 8233 1 1 3 TYR CE1 C 6.768 0.241 6.332 1.00 . A A . 60 TYR CE1 1 1 20 8234 1 1 3 TYR CE2 C 4.433 0.662 6.033 1.00 . A A . 60 TYR CE2 1 1 20 8235 1 1 3 TYR CG C 5.700 -0.363 4.256 1.00 . A A . 60 TYR CG 1 1 20 8236 1 1 3 TYR CZ C 5.508 0.614 6.852 1.00 . A A . 60 TYR CZ 1 1 20 8237 1 1 3 TYR H H 7.557 -3.024 2.064 1.00 . A A . 60 TYR H 1 1 20 8238 1 1 3 TYR HA H 5.164 -2.757 3.739 1.00 . A A . 60 TYR HA 1 1 20 8239 1 1 3 TYR HB2 H 6.740 -0.631 2.432 1.00 . A A . 60 TYR HB2 1 1 20 8240 1 1 3 TYR HB3 H 4.989 -0.496 2.270 1.00 . A A . 60 TYR HB3 1 1 20 8241 1 1 3 TYR HD1 H 7.766 -0.673 4.684 1.00 . A A . 60 TYR HD1 1 1 20 8242 1 1 3 TYR HD2 H 3.617 0.079 4.147 1.00 . A A . 60 TYR HD2 1 1 20 8243 1 1 3 TYR HE1 H 7.658 0.283 6.946 1.00 . A A . 60 TYR HE1 1 1 20 8244 1 1 3 TYR HE2 H 3.491 1.036 6.411 1.00 . A A . 60 TYR HE2 1 1 20 8245 1 1 3 TYR HH H 4.700 0.976 8.522 1.00 . A A . 60 TYR HH 1 1 20 8246 1 1 3 TYR N N 6.982 -3.075 2.860 1.00 . A A . 60 TYR N 1 1 20 8247 1 1 3 TYR O O 5.000 -2.437 0.531 1.00 . A A . 60 TYR O 1 1 20 8248 1 1 3 TYR OH O 5.510 1.269 8.076 1.00 . A A . 60 TYR OH 1 1 20 8249 1 1 4 VAL C C 1.684 -4.414 1.425 1.00 . A A . 61 VAL C 1 1 20 8250 1 1 4 VAL CA C 3.121 -4.463 0.927 1.00 . A A . 61 VAL CA 1 1 20 8251 1 1 4 VAL CB C 3.502 -5.930 0.627 1.00 . A A . 61 VAL CB 1 1 20 8252 1 1 4 VAL CG1 C 2.647 -6.498 -0.489 1.00 . A A . 61 VAL CG1 1 1 20 8253 1 1 4 VAL CG2 C 4.969 -6.032 0.266 1.00 . A A . 61 VAL CG2 1 1 20 8254 1 1 4 VAL H H 3.968 -4.264 2.829 1.00 . A A . 61 VAL H 1 1 20 8255 1 1 4 VAL HA H 3.211 -3.885 0.020 1.00 . A A . 61 VAL HA 1 1 20 8256 1 1 4 VAL HB H 3.329 -6.517 1.518 1.00 . A A . 61 VAL HB 1 1 20 8257 1 1 4 VAL HG11 H 2.909 -7.531 -0.652 1.00 . A A . 61 VAL HG11 1 1 20 8258 1 1 4 VAL HG12 H 2.821 -5.933 -1.392 1.00 . A A . 61 VAL HG12 1 1 20 8259 1 1 4 VAL HG13 H 1.605 -6.427 -0.212 1.00 . A A . 61 VAL HG13 1 1 20 8260 1 1 4 VAL HG21 H 5.569 -5.731 1.110 1.00 . A A . 61 VAL HG21 1 1 20 8261 1 1 4 VAL HG22 H 5.172 -5.379 -0.570 1.00 . A A . 61 VAL HG22 1 1 20 8262 1 1 4 VAL HG23 H 5.203 -7.050 -0.006 1.00 . A A . 61 VAL HG23 1 1 20 8263 1 1 4 VAL N N 4.003 -3.902 1.925 1.00 . A A . 61 VAL N 1 1 20 8264 1 1 4 VAL O O 1.429 -4.528 2.625 1.00 . A A . 61 VAL O 1 1 20 8265 1 1 5 CYS C C -1.038 -5.689 1.163 1.00 . A A . 62 CYS C 1 1 20 8266 1 1 5 CYS CA C -0.660 -4.266 0.818 1.00 . A A . 62 CYS CA 1 1 20 8267 1 1 5 CYS CB C -1.486 -3.800 -0.382 1.00 . A A . 62 CYS CB 1 1 20 8268 1 1 5 CYS H H 1.039 -4.078 -0.430 1.00 . A A . 62 CYS H 1 1 20 8269 1 1 5 CYS HA H -0.847 -3.624 1.664 1.00 . A A . 62 CYS HA 1 1 20 8270 1 1 5 CYS HB2 H -1.134 -2.840 -0.692 1.00 . A A . 62 CYS HB2 1 1 20 8271 1 1 5 CYS HB3 H -1.338 -4.506 -1.184 1.00 . A A . 62 CYS HB3 1 1 20 8272 1 1 5 CYS N N 0.757 -4.225 0.502 1.00 . A A . 62 CYS N 1 1 20 8273 1 1 5 CYS O O -1.322 -6.488 0.276 1.00 . A A . 62 CYS O 1 1 20 8274 1 1 5 CYS SG S -3.268 -3.639 -0.130 1.00 . A A . 62 CYS SG 1 1 20 8275 1 1 6 GLU C C -2.806 -7.683 2.442 1.00 . A A . 63 GLU C 1 1 20 8276 1 1 6 GLU CA C -1.400 -7.328 2.920 1.00 . A A . 63 GLU CA 1 1 20 8277 1 1 6 GLU CB C -1.358 -7.348 4.447 1.00 . A A . 63 GLU CB 1 1 20 8278 1 1 6 GLU CD C 0.178 -9.298 4.801 1.00 . A A . 63 GLU CD 1 1 20 8279 1 1 6 GLU CG C -1.205 -8.734 5.041 1.00 . A A . 63 GLU CG 1 1 20 8280 1 1 6 GLU H H -0.743 -5.327 3.099 1.00 . A A . 63 GLU H 1 1 20 8281 1 1 6 GLU HA H -0.692 -8.043 2.530 1.00 . A A . 63 GLU HA 1 1 20 8282 1 1 6 GLU HB2 H -0.524 -6.749 4.779 1.00 . A A . 63 GLU HB2 1 1 20 8283 1 1 6 GLU HB3 H -2.273 -6.916 4.826 1.00 . A A . 63 GLU HB3 1 1 20 8284 1 1 6 GLU HG2 H -1.380 -8.679 6.106 1.00 . A A . 63 GLU HG2 1 1 20 8285 1 1 6 GLU HG3 H -1.933 -9.392 4.589 1.00 . A A . 63 GLU HG3 1 1 20 8286 1 1 6 GLU N N -1.029 -6.002 2.447 1.00 . A A . 63 GLU N 1 1 20 8287 1 1 6 GLU O O -3.189 -8.850 2.379 1.00 . A A . 63 GLU O 1 1 20 8288 1 1 6 GLU OE1 O 1.113 -8.900 5.523 1.00 . A A . 63 GLU OE1 1 1 20 8289 1 1 6 GLU OE2 O 0.337 -10.147 3.896 1.00 . A A . 63 GLU OE2 1 1 20 8290 1 1 7 ARG C C -5.208 -7.125 0.296 1.00 . A A . 64 ARG C 1 1 20 8291 1 1 7 ARG CA C -4.955 -6.785 1.768 1.00 . A A . 64 ARG CA 1 1 20 8292 1 1 7 ARG CB C -5.667 -5.504 2.196 1.00 . A A . 64 ARG CB 1 1 20 8293 1 1 7 ARG CD C -6.101 -3.979 4.187 1.00 . A A . 64 ARG CD 1 1 20 8294 1 1 7 ARG CG C -5.293 -5.131 3.619 1.00 . A A . 64 ARG CG 1 1 20 8295 1 1 7 ARG CZ C -6.274 -2.849 6.381 1.00 . A A . 64 ARG CZ 1 1 20 8296 1 1 7 ARG H H -3.156 -5.763 2.069 1.00 . A A . 64 ARG H 1 1 20 8297 1 1 7 ARG HA H -5.340 -7.595 2.367 1.00 . A A . 64 ARG HA 1 1 20 8298 1 1 7 ARG HB2 H -5.380 -4.697 1.535 1.00 . A A . 64 ARG HB2 1 1 20 8299 1 1 7 ARG HB3 H -6.731 -5.653 2.147 1.00 . A A . 64 ARG HB3 1 1 20 8300 1 1 7 ARG HD2 H -5.926 -3.094 3.588 1.00 . A A . 64 ARG HD2 1 1 20 8301 1 1 7 ARG HD3 H -7.151 -4.237 4.171 1.00 . A A . 64 ARG HD3 1 1 20 8302 1 1 7 ARG HE H -4.929 -4.252 5.911 1.00 . A A . 64 ARG HE 1 1 20 8303 1 1 7 ARG HG2 H -5.436 -5.994 4.249 1.00 . A A . 64 ARG HG2 1 1 20 8304 1 1 7 ARG HG3 H -4.248 -4.855 3.633 1.00 . A A . 64 ARG HG3 1 1 20 8305 1 1 7 ARG HH11 H -7.571 -2.134 4.994 1.00 . A A . 64 ARG HH11 1 1 20 8306 1 1 7 ARG HH12 H -7.696 -1.416 6.574 1.00 . A A . 64 ARG HH12 1 1 20 8307 1 1 7 ARG HH21 H -5.083 -3.312 7.954 1.00 . A A . 64 ARG HH21 1 1 20 8308 1 1 7 ARG HH22 H -6.283 -2.094 8.268 1.00 . A A . 64 ARG HH22 1 1 20 8309 1 1 7 ARG N N -3.557 -6.651 2.087 1.00 . A A . 64 ARG N 1 1 20 8310 1 1 7 ARG NE N -5.692 -3.718 5.564 1.00 . A A . 64 ARG NE 1 1 20 8311 1 1 7 ARG NH1 N -7.257 -2.073 5.950 1.00 . A A . 64 ARG NH1 1 1 20 8312 1 1 7 ARG NH2 N -5.843 -2.742 7.632 1.00 . A A . 64 ARG NH2 1 1 20 8313 1 1 7 ARG O O -6.234 -7.723 -0.012 1.00 . A A . 64 ARG O 1 1 20 8314 1 1 8 CYS C C -3.231 -7.789 -2.646 1.00 . A A . 65 CYS C 1 1 20 8315 1 1 8 CYS CA C -4.516 -7.247 -2.007 1.00 . A A . 65 CYS CA 1 1 20 8316 1 1 8 CYS CB C -5.160 -6.178 -2.896 1.00 . A A . 65 CYS CB 1 1 20 8317 1 1 8 CYS H H -3.542 -6.180 -0.410 1.00 . A A . 65 CYS H 1 1 20 8318 1 1 8 CYS HA H -5.207 -8.073 -1.936 1.00 . A A . 65 CYS HA 1 1 20 8319 1 1 8 CYS HB2 H -5.596 -6.661 -3.760 1.00 . A A . 65 CYS HB2 1 1 20 8320 1 1 8 CYS HB3 H -5.941 -5.682 -2.332 1.00 . A A . 65 CYS HB3 1 1 20 8321 1 1 8 CYS N N -4.312 -6.767 -0.635 1.00 . A A . 65 CYS N 1 1 20 8322 1 1 8 CYS O O -3.265 -8.321 -3.757 1.00 . A A . 65 CYS O 1 1 20 8323 1 1 8 CYS SG S -4.034 -4.912 -3.502 1.00 . A A . 65 CYS SG 1 1 20 8324 1 1 9 GLY C C 0.024 -7.321 -3.204 1.00 . A A . 66 GLY C 1 1 20 8325 1 1 9 GLY CA C -0.870 -8.264 -2.417 1.00 . A A . 66 GLY CA 1 1 20 8326 1 1 9 GLY H H -2.114 -7.169 -1.102 1.00 . A A . 66 GLY H 1 1 20 8327 1 1 9 GLY HA2 H -0.317 -8.621 -1.557 1.00 . A A . 66 GLY HA2 1 1 20 8328 1 1 9 GLY HA3 H -1.115 -9.111 -3.047 1.00 . A A . 66 GLY HA3 1 1 20 8329 1 1 9 GLY N N -2.107 -7.660 -1.951 1.00 . A A . 66 GLY N 1 1 20 8330 1 1 9 GLY O O 1.140 -7.690 -3.570 1.00 . A A . 66 GLY O 1 1 20 8331 1 1 10 LYS C C 1.221 -4.322 -3.283 1.00 . A A . 67 LYS C 1 1 20 8332 1 1 10 LYS CA C 0.356 -5.148 -4.224 1.00 . A A . 67 LYS CA 1 1 20 8333 1 1 10 LYS CB C -0.528 -4.241 -5.073 1.00 . A A . 67 LYS CB 1 1 20 8334 1 1 10 LYS CD C -0.554 -5.939 -6.929 1.00 . A A . 67 LYS CD 1 1 20 8335 1 1 10 LYS CE C -1.422 -6.698 -7.920 1.00 . A A . 67 LYS CE 1 1 20 8336 1 1 10 LYS CG C -1.387 -5.001 -6.067 1.00 . A A . 67 LYS CG 1 1 20 8337 1 1 10 LYS H H -1.341 -5.863 -3.165 1.00 . A A . 67 LYS H 1 1 20 8338 1 1 10 LYS HA H 1.007 -5.709 -4.879 1.00 . A A . 67 LYS HA 1 1 20 8339 1 1 10 LYS HB2 H -1.180 -3.678 -4.421 1.00 . A A . 67 LYS HB2 1 1 20 8340 1 1 10 LYS HB3 H 0.098 -3.553 -5.623 1.00 . A A . 67 LYS HB3 1 1 20 8341 1 1 10 LYS HD2 H 0.174 -5.359 -7.476 1.00 . A A . 67 LYS HD2 1 1 20 8342 1 1 10 LYS HD3 H -0.047 -6.647 -6.289 1.00 . A A . 67 LYS HD3 1 1 20 8343 1 1 10 LYS HE2 H -2.184 -7.234 -7.374 1.00 . A A . 67 LYS HE2 1 1 20 8344 1 1 10 LYS HE3 H -1.889 -5.989 -8.586 1.00 . A A . 67 LYS HE3 1 1 20 8345 1 1 10 LYS HG2 H -2.116 -5.582 -5.523 1.00 . A A . 67 LYS HG2 1 1 20 8346 1 1 10 LYS HG3 H -1.889 -4.292 -6.705 1.00 . A A . 67 LYS HG3 1 1 20 8347 1 1 10 LYS HZ1 H -0.269 -8.432 -8.111 1.00 . A A . 67 LYS HZ1 1 1 20 8348 1 1 10 LYS HZ2 H 0.178 -7.189 -9.174 1.00 . A A . 67 LYS HZ2 1 1 20 8349 1 1 10 LYS HZ3 H -1.234 -8.086 -9.469 1.00 . A A . 67 LYS HZ3 1 1 20 8350 1 1 10 LYS N N -0.447 -6.111 -3.474 1.00 . A A . 67 LYS N 1 1 20 8351 1 1 10 LYS NZ N -0.632 -7.670 -8.724 1.00 . A A . 67 LYS NZ 1 1 20 8352 1 1 10 LYS O O 0.818 -4.019 -2.165 1.00 . A A . 67 LYS O 1 1 20 8353 1 1 11 ARG C C 3.869 -1.985 -3.399 1.00 . A A . 68 ARG C 1 1 20 8354 1 1 11 ARG CA C 3.392 -3.336 -2.873 1.00 . A A . 68 ARG CA 1 1 20 8355 1 1 11 ARG CB C 4.572 -4.275 -2.724 1.00 . A A . 68 ARG CB 1 1 20 8356 1 1 11 ARG CD C 6.421 -5.518 -3.858 1.00 . A A . 68 ARG CD 1 1 20 8357 1 1 11 ARG CG C 5.127 -4.748 -4.044 1.00 . A A . 68 ARG CG 1 1 20 8358 1 1 11 ARG CZ C 8.232 -5.055 -2.254 1.00 . A A . 68 ARG CZ 1 1 20 8359 1 1 11 ARG H H 2.633 -4.119 -4.669 1.00 . A A . 68 ARG H 1 1 20 8360 1 1 11 ARG HA H 2.944 -3.194 -1.908 1.00 . A A . 68 ARG HA 1 1 20 8361 1 1 11 ARG HB2 H 5.354 -3.762 -2.198 1.00 . A A . 68 ARG HB2 1 1 20 8362 1 1 11 ARG HB3 H 4.261 -5.140 -2.158 1.00 . A A . 68 ARG HB3 1 1 20 8363 1 1 11 ARG HD2 H 6.237 -6.360 -3.207 1.00 . A A . 68 ARG HD2 1 1 20 8364 1 1 11 ARG HD3 H 6.757 -5.872 -4.822 1.00 . A A . 68 ARG HD3 1 1 20 8365 1 1 11 ARG HE H 7.608 -3.791 -3.675 1.00 . A A . 68 ARG HE 1 1 20 8366 1 1 11 ARG HG2 H 4.401 -5.391 -4.512 1.00 . A A . 68 ARG HG2 1 1 20 8367 1 1 11 ARG HG3 H 5.309 -3.887 -4.667 1.00 . A A . 68 ARG HG3 1 1 20 8368 1 1 11 ARG HH11 H 7.325 -6.853 -1.996 1.00 . A A . 68 ARG HH11 1 1 20 8369 1 1 11 ARG HH12 H 8.637 -6.516 -0.907 1.00 . A A . 68 ARG HH12 1 1 20 8370 1 1 11 ARG HH21 H 9.324 -3.354 -2.255 1.00 . A A . 68 ARG HH21 1 1 20 8371 1 1 11 ARG HH22 H 9.773 -4.525 -1.053 1.00 . A A . 68 ARG HH22 1 1 20 8372 1 1 11 ARG N N 2.407 -3.961 -3.736 1.00 . A A . 68 ARG N 1 1 20 8373 1 1 11 ARG NE N 7.464 -4.682 -3.271 1.00 . A A . 68 ARG NE 1 1 20 8374 1 1 11 ARG NH1 N 8.049 -6.232 -1.671 1.00 . A A . 68 ARG NH1 1 1 20 8375 1 1 11 ARG NH2 N 9.184 -4.244 -1.820 1.00 . A A . 68 ARG NH2 1 1 20 8376 1 1 11 ARG O O 3.557 -1.594 -4.526 1.00 . A A . 68 ARG O 1 1 20 8377 1 1 12 PHE C C 6.608 0.081 -2.317 1.00 . A A . 69 PHE C 1 1 20 8378 1 1 12 PHE CA C 5.206 0.002 -2.875 1.00 . A A . 69 PHE CA 1 1 20 8379 1 1 12 PHE CB C 4.353 1.132 -2.286 1.00 . A A . 69 PHE CB 1 1 20 8380 1 1 12 PHE CD1 C 3.510 2.634 -4.110 1.00 . A A . 69 PHE CD1 1 1 20 8381 1 1 12 PHE CD2 C 2.011 1.017 -3.196 1.00 . A A . 69 PHE CD2 1 1 20 8382 1 1 12 PHE CE1 C 2.524 3.064 -4.976 1.00 . A A . 69 PHE CE1 1 1 20 8383 1 1 12 PHE CE2 C 1.023 1.449 -4.059 1.00 . A A . 69 PHE CE2 1 1 20 8384 1 1 12 PHE CG C 3.267 1.605 -3.212 1.00 . A A . 69 PHE CG 1 1 20 8385 1 1 12 PHE CZ C 1.279 2.471 -4.951 1.00 . A A . 69 PHE CZ 1 1 20 8386 1 1 12 PHE H H 4.874 -1.693 -1.698 1.00 . A A . 69 PHE H 1 1 20 8387 1 1 12 PHE HA H 5.252 0.116 -3.945 1.00 . A A . 69 PHE HA 1 1 20 8388 1 1 12 PHE HB2 H 3.885 0.785 -1.373 1.00 . A A . 69 PHE HB2 1 1 20 8389 1 1 12 PHE HB3 H 4.995 1.977 -2.063 1.00 . A A . 69 PHE HB3 1 1 20 8390 1 1 12 PHE HD1 H 4.484 3.106 -4.128 1.00 . A A . 69 PHE HD1 1 1 20 8391 1 1 12 PHE HD2 H 1.804 0.218 -2.491 1.00 . A A . 69 PHE HD2 1 1 20 8392 1 1 12 PHE HE1 H 2.725 3.867 -5.671 1.00 . A A . 69 PHE HE1 1 1 20 8393 1 1 12 PHE HE2 H 0.047 0.984 -4.040 1.00 . A A . 69 PHE HE2 1 1 20 8394 1 1 12 PHE HZ H 0.505 2.805 -5.627 1.00 . A A . 69 PHE HZ 1 1 20 8395 1 1 12 PHE N N 4.646 -1.298 -2.564 1.00 . A A . 69 PHE N 1 1 20 8396 1 1 12 PHE O O 7.049 -0.787 -1.564 1.00 . A A . 69 PHE O 1 1 20 8397 1 1 13 VAL C C 8.606 2.464 -1.225 1.00 . A A . 70 VAL C 1 1 20 8398 1 1 13 VAL CA C 8.643 1.360 -2.259 1.00 . A A . 70 VAL CA 1 1 20 8399 1 1 13 VAL CB C 9.522 1.749 -3.472 1.00 . A A . 70 VAL CB 1 1 20 8400 1 1 13 VAL CG1 C 10.638 2.692 -3.081 1.00 . A A . 70 VAL CG1 1 1 20 8401 1 1 13 VAL CG2 C 10.088 0.506 -4.139 1.00 . A A . 70 VAL CG2 1 1 20 8402 1 1 13 VAL H H 6.870 1.804 -3.253 1.00 . A A . 70 VAL H 1 1 20 8403 1 1 13 VAL HA H 9.027 0.454 -1.813 1.00 . A A . 70 VAL HA 1 1 20 8404 1 1 13 VAL HB H 8.895 2.255 -4.188 1.00 . A A . 70 VAL HB 1 1 20 8405 1 1 13 VAL HG11 H 10.204 3.593 -2.674 1.00 . A A . 70 VAL HG11 1 1 20 8406 1 1 13 VAL HG12 H 11.226 2.935 -3.953 1.00 . A A . 70 VAL HG12 1 1 20 8407 1 1 13 VAL HG13 H 11.263 2.225 -2.338 1.00 . A A . 70 VAL HG13 1 1 20 8408 1 1 13 VAL HG21 H 9.279 -0.109 -4.502 1.00 . A A . 70 VAL HG21 1 1 20 8409 1 1 13 VAL HG22 H 10.672 -0.052 -3.422 1.00 . A A . 70 VAL HG22 1 1 20 8410 1 1 13 VAL HG23 H 10.718 0.798 -4.965 1.00 . A A . 70 VAL HG23 1 1 20 8411 1 1 13 VAL N N 7.296 1.130 -2.691 1.00 . A A . 70 VAL N 1 1 20 8412 1 1 13 VAL O O 9.480 2.596 -0.367 1.00 . A A . 70 VAL O 1 1 20 8413 1 1 14 GLN C C 6.327 3.958 0.637 1.00 . A A . 71 GLN C 1 1 20 8414 1 1 14 GLN CA C 7.328 4.344 -0.436 1.00 . A A . 71 GLN CA 1 1 20 8415 1 1 14 GLN CB C 6.786 5.459 -1.303 1.00 . A A . 71 GLN CB 1 1 20 8416 1 1 14 GLN CD C 8.900 6.304 -2.442 1.00 . A A . 71 GLN CD 1 1 20 8417 1 1 14 GLN CG C 7.553 5.620 -2.609 1.00 . A A . 71 GLN CG 1 1 20 8418 1 1 14 GLN H H 6.838 3.034 -1.964 1.00 . A A . 71 GLN H 1 1 20 8419 1 1 14 GLN HA H 8.266 4.635 0.007 1.00 . A A . 71 GLN HA 1 1 20 8420 1 1 14 GLN HB2 H 5.750 5.245 -1.543 1.00 . A A . 71 GLN HB2 1 1 20 8421 1 1 14 GLN HB3 H 6.840 6.378 -0.764 1.00 . A A . 71 GLN HB3 1 1 20 8422 1 1 14 GLN HE21 H 8.761 7.080 -4.268 1.00 . A A . 71 GLN HE21 1 1 20 8423 1 1 14 GLN HE22 H 10.197 7.476 -3.390 1.00 . A A . 71 GLN HE22 1 1 20 8424 1 1 14 GLN HG2 H 7.723 4.639 -3.026 1.00 . A A . 71 GLN HG2 1 1 20 8425 1 1 14 GLN HG3 H 6.950 6.189 -3.290 1.00 . A A . 71 GLN HG3 1 1 20 8426 1 1 14 GLN N N 7.533 3.228 -1.297 1.00 . A A . 71 GLN N 1 1 20 8427 1 1 14 GLN NE2 N 9.327 7.025 -3.467 1.00 . A A . 71 GLN NE2 1 1 20 8428 1 1 14 GLN O O 5.241 3.463 0.329 1.00 . A A . 71 GLN O 1 1 20 8429 1 1 14 GLN OE1 O 9.548 6.187 -1.402 1.00 . A A . 71 GLN OE1 1 1 20 8430 1 1 15 SER C C 4.524 4.581 2.915 1.00 . A A . 72 SER C 1 1 20 8431 1 1 15 SER CA C 5.845 3.832 3.011 1.00 . A A . 72 SER CA 1 1 20 8432 1 1 15 SER CB C 6.554 4.166 4.324 1.00 . A A . 72 SER CB 1 1 20 8433 1 1 15 SER H H 7.560 4.617 2.065 1.00 . A A . 72 SER H 1 1 20 8434 1 1 15 SER HA H 5.654 2.770 2.967 1.00 . A A . 72 SER HA 1 1 20 8435 1 1 15 SER HB2 H 7.549 3.743 4.309 1.00 . A A . 72 SER HB2 1 1 20 8436 1 1 15 SER HB3 H 6.623 5.239 4.427 1.00 . A A . 72 SER HB3 1 1 20 8437 1 1 15 SER HG H 5.176 4.283 5.720 1.00 . A A . 72 SER HG 1 1 20 8438 1 1 15 SER N N 6.694 4.186 1.888 1.00 . A A . 72 SER N 1 1 20 8439 1 1 15 SER O O 3.451 4.007 3.093 1.00 . A A . 72 SER O 1 1 20 8440 1 1 15 SER OG O 5.856 3.646 5.440 1.00 . A A . 72 SER OG 1 1 20 8441 1 1 16 SER C C 2.565 6.267 1.304 1.00 . A A . 73 SER C 1 1 20 8442 1 1 16 SER CA C 3.439 6.699 2.478 1.00 . A A . 73 SER CA 1 1 20 8443 1 1 16 SER CB C 3.845 8.170 2.334 1.00 . A A . 73 SER CB 1 1 20 8444 1 1 16 SER H H 5.499 6.246 2.390 1.00 . A A . 73 SER H 1 1 20 8445 1 1 16 SER HA H 2.875 6.582 3.391 1.00 . A A . 73 SER HA 1 1 20 8446 1 1 16 SER HB2 H 4.531 8.430 3.128 1.00 . A A . 73 SER HB2 1 1 20 8447 1 1 16 SER HB3 H 4.330 8.316 1.380 1.00 . A A . 73 SER HB3 1 1 20 8448 1 1 16 SER HG H 2.808 9.729 1.747 1.00 . A A . 73 SER HG 1 1 20 8449 1 1 16 SER N N 4.614 5.858 2.577 1.00 . A A . 73 SER N 1 1 20 8450 1 1 16 SER O O 1.342 6.339 1.378 1.00 . A A . 73 SER O 1 1 20 8451 1 1 16 SER OG O 2.719 9.025 2.408 1.00 . A A . 73 SER OG 1 1 20 8452 1 1 17 GLN C C 1.736 4.095 -0.769 1.00 . A A . 74 GLN C 1 1 20 8453 1 1 17 GLN CA C 2.430 5.427 -0.956 1.00 . A A . 74 GLN CA 1 1 20 8454 1 1 17 GLN CB C 3.325 5.402 -2.193 1.00 . A A . 74 GLN CB 1 1 20 8455 1 1 17 GLN CD C 4.497 6.809 -3.947 1.00 . A A . 74 GLN CD 1 1 20 8456 1 1 17 GLN CG C 3.884 6.766 -2.559 1.00 . A A . 74 GLN CG 1 1 20 8457 1 1 17 GLN H H 4.142 5.567 0.269 1.00 . A A . 74 GLN H 1 1 20 8458 1 1 17 GLN HA H 1.675 6.189 -1.087 1.00 . A A . 74 GLN HA 1 1 20 8459 1 1 17 GLN HB2 H 4.156 4.734 -2.007 1.00 . A A . 74 GLN HB2 1 1 20 8460 1 1 17 GLN HB3 H 2.754 5.033 -3.033 1.00 . A A . 74 GLN HB3 1 1 20 8461 1 1 17 GLN HE21 H 3.191 5.466 -4.608 1.00 . A A . 74 GLN HE21 1 1 20 8462 1 1 17 GLN HE22 H 4.325 6.051 -5.778 1.00 . A A . 74 GLN HE22 1 1 20 8463 1 1 17 GLN HG2 H 3.087 7.490 -2.515 1.00 . A A . 74 GLN HG2 1 1 20 8464 1 1 17 GLN HG3 H 4.646 7.027 -1.841 1.00 . A A . 74 GLN HG3 1 1 20 8465 1 1 17 GLN N N 3.183 5.763 0.236 1.00 . A A . 74 GLN N 1 1 20 8466 1 1 17 GLN NE2 N 3.952 6.027 -4.866 1.00 . A A . 74 GLN NE2 1 1 20 8467 1 1 17 GLN O O 0.683 3.854 -1.348 1.00 . A A . 74 GLN O 1 1 20 8468 1 1 17 GLN OE1 O 5.447 7.549 -4.192 1.00 . A A . 74 GLN OE1 1 1 20 8469 1 1 18 LEU C C 0.493 2.242 1.282 1.00 . A A . 75 LEU C 1 1 20 8470 1 1 18 LEU CA C 1.693 1.973 0.381 1.00 . A A . 75 LEU CA 1 1 20 8471 1 1 18 LEU CB C 2.711 1.038 1.054 1.00 . A A . 75 LEU CB 1 1 20 8472 1 1 18 LEU CD1 C 1.133 -0.754 1.832 1.00 . A A . 75 LEU CD1 1 1 20 8473 1 1 18 LEU CD2 C 2.188 -0.953 -0.394 1.00 . A A . 75 LEU CD2 1 1 20 8474 1 1 18 LEU CG C 2.376 -0.462 1.028 1.00 . A A . 75 LEU CG 1 1 20 8475 1 1 18 LEU H H 3.173 3.469 0.476 1.00 . A A . 75 LEU H 1 1 20 8476 1 1 18 LEU HA H 1.344 1.532 -0.541 1.00 . A A . 75 LEU HA 1 1 20 8477 1 1 18 LEU HB2 H 3.667 1.175 0.561 1.00 . A A . 75 LEU HB2 1 1 20 8478 1 1 18 LEU HB3 H 2.811 1.343 2.088 1.00 . A A . 75 LEU HB3 1 1 20 8479 1 1 18 LEU HD11 H 0.945 -1.816 1.832 1.00 . A A . 75 LEU HD11 1 1 20 8480 1 1 18 LEU HD12 H 0.297 -0.237 1.378 1.00 . A A . 75 LEU HD12 1 1 20 8481 1 1 18 LEU HD13 H 1.268 -0.405 2.845 1.00 . A A . 75 LEU HD13 1 1 20 8482 1 1 18 LEU HD21 H 1.384 -0.405 -0.862 1.00 . A A . 75 LEU HD21 1 1 20 8483 1 1 18 LEU HD22 H 1.946 -2.006 -0.382 1.00 . A A . 75 LEU HD22 1 1 20 8484 1 1 18 LEU HD23 H 3.101 -0.801 -0.953 1.00 . A A . 75 LEU HD23 1 1 20 8485 1 1 18 LEU HG H 3.194 -1.015 1.466 1.00 . A A . 75 LEU HG 1 1 20 8486 1 1 18 LEU N N 2.314 3.241 0.063 1.00 . A A . 75 LEU N 1 1 20 8487 1 1 18 LEU O O -0.569 1.636 1.125 1.00 . A A . 75 LEU O 1 1 20 8488 1 1 19 ALA C C -1.494 4.303 2.194 1.00 . A A . 76 ALA C 1 1 20 8489 1 1 19 ALA CA C -0.458 3.592 3.041 1.00 . A A . 76 ALA CA 1 1 20 8490 1 1 19 ALA CB C 0.022 4.480 4.178 1.00 . A A . 76 ALA CB 1 1 20 8491 1 1 19 ALA H H 1.538 3.582 2.340 1.00 . A A . 76 ALA H 1 1 20 8492 1 1 19 ALA HA H -0.917 2.702 3.461 1.00 . A A . 76 ALA HA 1 1 20 8493 1 1 19 ALA HB1 H 0.487 5.367 3.772 1.00 . A A . 76 ALA HB1 1 1 20 8494 1 1 19 ALA HB2 H 0.739 3.940 4.777 1.00 . A A . 76 ALA HB2 1 1 20 8495 1 1 19 ALA HB3 H -0.821 4.765 4.791 1.00 . A A . 76 ALA HB3 1 1 20 8496 1 1 19 ALA N N 0.653 3.176 2.207 1.00 . A A . 76 ALA N 1 1 20 8497 1 1 19 ALA O O -2.685 4.114 2.394 1.00 . A A . 76 ALA O 1 1 20 8498 1 1 20 ASN C C -2.732 4.662 -0.471 1.00 . A A . 77 ASN C 1 1 20 8499 1 1 20 ASN CA C -1.965 5.736 0.295 1.00 . A A . 77 ASN CA 1 1 20 8500 1 1 20 ASN CB C -1.212 6.644 -0.686 1.00 . A A . 77 ASN CB 1 1 20 8501 1 1 20 ASN CG C -2.131 7.362 -1.666 1.00 . A A . 77 ASN CG 1 1 20 8502 1 1 20 ASN H H -0.067 5.255 1.141 1.00 . A A . 77 ASN H 1 1 20 8503 1 1 20 ASN HA H -2.664 6.330 0.868 1.00 . A A . 77 ASN HA 1 1 20 8504 1 1 20 ASN HB2 H -0.666 7.389 -0.126 1.00 . A A . 77 ASN HB2 1 1 20 8505 1 1 20 ASN HB3 H -0.512 6.046 -1.251 1.00 . A A . 77 ASN HB3 1 1 20 8506 1 1 20 ASN HD21 H -3.540 7.577 -0.268 1.00 . A A . 77 ASN HD21 1 1 20 8507 1 1 20 ASN HD22 H -3.920 8.223 -1.841 1.00 . A A . 77 ASN HD22 1 1 20 8508 1 1 20 ASN N N -1.042 5.095 1.228 1.00 . A A . 77 ASN N 1 1 20 8509 1 1 20 ASN ND2 N -3.313 7.761 -1.212 1.00 . A A . 77 ASN ND2 1 1 20 8510 1 1 20 ASN O O -3.944 4.753 -0.665 1.00 . A A . 77 ASN O 1 1 20 8511 1 1 20 ASN OD1 O -1.766 7.580 -2.822 1.00 . A A . 77 ASN OD1 1 1 20 8512 1 1 21 HIS C C -3.684 1.836 -0.753 1.00 . A A . 78 HIS C 1 1 20 8513 1 1 21 HIS CA C -2.552 2.475 -1.556 1.00 . A A . 78 HIS CA 1 1 20 8514 1 1 21 HIS CB C -1.423 1.462 -1.775 1.00 . A A . 78 HIS CB 1 1 20 8515 1 1 21 HIS CD2 C -2.368 -0.936 -1.834 1.00 . A A . 78 HIS CD2 1 1 20 8516 1 1 21 HIS CE1 C -2.101 -1.370 -3.936 1.00 . A A . 78 HIS CE1 1 1 20 8517 1 1 21 HIS CG C -1.837 0.171 -2.403 1.00 . A A . 78 HIS CG 1 1 20 8518 1 1 21 HIS H H -1.033 3.638 -0.678 1.00 . A A . 78 HIS H 1 1 20 8519 1 1 21 HIS HA H -2.929 2.802 -2.512 1.00 . A A . 78 HIS HA 1 1 20 8520 1 1 21 HIS HB2 H -0.675 1.909 -2.413 1.00 . A A . 78 HIS HB2 1 1 20 8521 1 1 21 HIS HB3 H -0.978 1.234 -0.814 1.00 . A A . 78 HIS HB3 1 1 20 8522 1 1 21 HIS HD1 H -1.319 0.482 -4.422 1.00 . A A . 78 HIS HD1 1 1 20 8523 1 1 21 HIS HD2 H -2.628 -1.052 -0.794 1.00 . A A . 78 HIS HD2 1 1 20 8524 1 1 21 HIS HE1 H -2.089 -1.871 -4.894 1.00 . A A . 78 HIS HE1 1 1 20 8525 1 1 21 HIS N N -2.000 3.627 -0.863 1.00 . A A . 78 HIS N 1 1 20 8526 1 1 21 HIS ND1 N -1.677 -0.121 -3.736 1.00 . A A . 78 HIS ND1 1 1 20 8527 1 1 21 HIS NE2 N -2.537 -1.915 -2.806 1.00 . A A . 78 HIS NE2 1 1 20 8528 1 1 21 HIS O O -4.783 1.621 -1.261 1.00 . A A . 78 HIS O 1 1 20 8529 1 1 22 ILE C C -5.453 1.812 1.851 1.00 . A A . 79 ILE C 1 1 20 8530 1 1 22 ILE CA C -4.367 0.858 1.357 1.00 . A A . 79 ILE CA 1 1 20 8531 1 1 22 ILE CB C -3.640 0.178 2.523 1.00 . A A . 79 ILE CB 1 1 20 8532 1 1 22 ILE CD1 C -2.031 -1.723 2.985 1.00 . A A . 79 ILE CD1 1 1 20 8533 1 1 22 ILE CG1 C -2.770 -0.932 1.950 1.00 . A A . 79 ILE CG1 1 1 20 8534 1 1 22 ILE CG2 C -4.620 -0.370 3.548 1.00 . A A . 79 ILE CG2 1 1 20 8535 1 1 22 ILE H H -2.512 1.735 0.859 1.00 . A A . 79 ILE H 1 1 20 8536 1 1 22 ILE HA H -4.840 0.080 0.772 1.00 . A A . 79 ILE HA 1 1 20 8537 1 1 22 ILE HB H -3.010 0.907 3.010 1.00 . A A . 79 ILE HB 1 1 20 8538 1 1 22 ILE HD11 H -1.350 -1.068 3.508 1.00 . A A . 79 ILE HD11 1 1 20 8539 1 1 22 ILE HD12 H -1.478 -2.519 2.495 1.00 . A A . 79 ILE HD12 1 1 20 8540 1 1 22 ILE HD13 H -2.739 -2.144 3.680 1.00 . A A . 79 ILE HD13 1 1 20 8541 1 1 22 ILE HG12 H -3.397 -1.620 1.400 1.00 . A A . 79 ILE HG12 1 1 20 8542 1 1 22 ILE HG13 H -2.039 -0.497 1.277 1.00 . A A . 79 ILE HG13 1 1 20 8543 1 1 22 ILE HG21 H -4.076 -0.864 4.338 1.00 . A A . 79 ILE HG21 1 1 20 8544 1 1 22 ILE HG22 H -5.279 -1.075 3.067 1.00 . A A . 79 ILE HG22 1 1 20 8545 1 1 22 ILE HG23 H -5.197 0.442 3.960 1.00 . A A . 79 ILE HG23 1 1 20 8546 1 1 22 ILE N N -3.404 1.525 0.500 1.00 . A A . 79 ILE N 1 1 20 8547 1 1 22 ILE O O -6.577 1.393 2.115 1.00 . A A . 79 ILE O 1 1 20 8548 1 1 23 ARG C C -7.069 4.261 1.037 1.00 . A A . 80 ARG C 1 1 20 8549 1 1 23 ARG CA C -6.139 4.088 2.236 1.00 . A A . 80 ARG CA 1 1 20 8550 1 1 23 ARG CB C -5.464 5.385 2.615 1.00 . A A . 80 ARG CB 1 1 20 8551 1 1 23 ARG CD C -4.171 6.603 4.388 1.00 . A A . 80 ARG CD 1 1 20 8552 1 1 23 ARG CG C -4.870 5.320 4.004 1.00 . A A . 80 ARG CG 1 1 20 8553 1 1 23 ARG CZ C -2.635 7.370 6.164 1.00 . A A . 80 ARG CZ 1 1 20 8554 1 1 23 ARG H H -4.191 3.379 1.904 1.00 . A A . 80 ARG H 1 1 20 8555 1 1 23 ARG HA H -6.719 3.746 3.078 1.00 . A A . 80 ARG HA 1 1 20 8556 1 1 23 ARG HB2 H -4.672 5.591 1.910 1.00 . A A . 80 ARG HB2 1 1 20 8557 1 1 23 ARG HB3 H -6.177 6.170 2.582 1.00 . A A . 80 ARG HB3 1 1 20 8558 1 1 23 ARG HD2 H -3.492 6.877 3.594 1.00 . A A . 80 ARG HD2 1 1 20 8559 1 1 23 ARG HD3 H -4.912 7.376 4.514 1.00 . A A . 80 ARG HD3 1 1 20 8560 1 1 23 ARG HE H -3.507 5.568 6.091 1.00 . A A . 80 ARG HE 1 1 20 8561 1 1 23 ARG HG2 H -5.660 5.129 4.713 1.00 . A A . 80 ARG HG2 1 1 20 8562 1 1 23 ARG HG3 H -4.156 4.510 4.037 1.00 . A A . 80 ARG HG3 1 1 20 8563 1 1 23 ARG HH11 H -3.075 8.790 4.778 1.00 . A A . 80 ARG HH11 1 1 20 8564 1 1 23 ARG HH12 H -1.951 9.277 6.012 1.00 . A A . 80 ARG HH12 1 1 20 8565 1 1 23 ARG HH21 H -2.042 6.206 7.713 1.00 . A A . 80 ARG HH21 1 1 20 8566 1 1 23 ARG HH22 H -1.343 7.797 7.674 1.00 . A A . 80 ARG HH22 1 1 20 8567 1 1 23 ARG N N -5.132 3.092 1.962 1.00 . A A . 80 ARG N 1 1 20 8568 1 1 23 ARG NE N -3.425 6.441 5.631 1.00 . A A . 80 ARG NE 1 1 20 8569 1 1 23 ARG NH1 N -2.544 8.573 5.605 1.00 . A A . 80 ARG NH1 1 1 20 8570 1 1 23 ARG NH2 N -1.956 7.102 7.273 1.00 . A A . 80 ARG NH2 1 1 20 8571 1 1 23 ARG O O -8.189 4.751 1.170 1.00 . A A . 80 ARG O 1 1 20 8572 1 1 24 HIS C C -8.341 2.556 -1.293 1.00 . A A . 81 HIS C 1 1 20 8573 1 1 24 HIS CA C -7.442 3.793 -1.332 1.00 . A A . 81 HIS CA 1 1 20 8574 1 1 24 HIS CB C -6.571 3.802 -2.599 1.00 . A A . 81 HIS CB 1 1 20 8575 1 1 24 HIS CD2 C -7.648 3.014 -4.831 1.00 . A A . 81 HIS CD2 1 1 20 8576 1 1 24 HIS CE1 C -8.520 4.924 -5.447 1.00 . A A . 81 HIS CE1 1 1 20 8577 1 1 24 HIS CG C -7.346 3.930 -3.876 1.00 . A A . 81 HIS CG 1 1 20 8578 1 1 24 HIS H H -5.664 3.551 -0.201 1.00 . A A . 81 HIS H 1 1 20 8579 1 1 24 HIS HA H -8.065 4.676 -1.325 1.00 . A A . 81 HIS HA 1 1 20 8580 1 1 24 HIS HB2 H -5.889 4.637 -2.548 1.00 . A A . 81 HIS HB2 1 1 20 8581 1 1 24 HIS HB3 H -6.003 2.884 -2.644 1.00 . A A . 81 HIS HB3 1 1 20 8582 1 1 24 HIS HD1 H -7.880 5.970 -3.805 1.00 . A A . 81 HIS HD1 1 1 20 8583 1 1 24 HIS HD2 H -7.362 1.971 -4.832 1.00 . A A . 81 HIS HD2 1 1 20 8584 1 1 24 HIS HE1 H -9.047 5.680 -6.011 1.00 . A A . 81 HIS HE1 1 1 20 8585 1 1 24 HIS HE2 H -8.898 3.216 -6.506 1.00 . A A . 81 HIS HE2 1 1 20 8586 1 1 24 HIS N N -6.603 3.833 -0.135 1.00 . A A . 81 HIS N 1 1 20 8587 1 1 24 HIS ND1 N -7.908 5.113 -4.295 1.00 . A A . 81 HIS ND1 1 1 20 8588 1 1 24 HIS NE2 N -8.380 3.661 -5.796 1.00 . A A . 81 HIS NE2 1 1 20 8589 1 1 24 HIS O O -9.217 2.371 -2.137 1.00 . A A . 81 HIS O 1 1 20 8590 1 1 25 HIS C C -10.107 0.942 0.886 1.00 . A A . 82 HIS C 1 1 20 8591 1 1 25 HIS CA C -8.957 0.552 -0.045 1.00 . A A . 82 HIS CA 1 1 20 8592 1 1 25 HIS CB C -8.146 -0.600 0.573 1.00 . A A . 82 HIS CB 1 1 20 8593 1 1 25 HIS CD2 C -6.365 -1.308 -1.164 1.00 . A A . 82 HIS CD2 1 1 20 8594 1 1 25 HIS CE1 C -7.023 -3.334 -1.547 1.00 . A A . 82 HIS CE1 1 1 20 8595 1 1 25 HIS CG C -7.473 -1.504 -0.411 1.00 . A A . 82 HIS CG 1 1 20 8596 1 1 25 HIS H H -7.336 1.865 0.285 1.00 . A A . 82 HIS H 1 1 20 8597 1 1 25 HIS HA H -9.368 0.227 -0.989 1.00 . A A . 82 HIS HA 1 1 20 8598 1 1 25 HIS HB2 H -7.370 -0.185 1.208 1.00 . A A . 82 HIS HB2 1 1 20 8599 1 1 25 HIS HB3 H -8.801 -1.204 1.182 1.00 . A A . 82 HIS HB3 1 1 20 8600 1 1 25 HIS HD1 H -8.691 -3.231 -0.299 1.00 . A A . 82 HIS HD1 1 1 20 8601 1 1 25 HIS HD2 H -5.781 -0.400 -1.210 1.00 . A A . 82 HIS HD2 1 1 20 8602 1 1 25 HIS HE1 H -7.087 -4.342 -1.930 1.00 . A A . 82 HIS HE1 1 1 20 8603 1 1 25 HIS N N -8.105 1.707 -0.300 1.00 . A A . 82 HIS N 1 1 20 8604 1 1 25 HIS ND1 N -7.886 -2.793 -0.672 1.00 . A A . 82 HIS ND1 1 1 20 8605 1 1 25 HIS NE2 N -6.088 -2.471 -1.875 1.00 . A A . 82 HIS NE2 1 1 20 8606 1 1 25 HIS O O -10.902 0.097 1.297 1.00 . A A . 82 HIS O 1 1 20 8607 1 1 26 ASP C C -12.328 3.401 1.245 1.00 . A A . 83 ASP C 1 1 20 8608 1 1 26 ASP CA C -11.237 2.744 2.084 1.00 . A A . 83 ASP CA 1 1 20 8609 1 1 26 ASP CB C -10.656 3.749 3.086 1.00 . A A . 83 ASP CB 1 1 20 8610 1 1 26 ASP CG C -11.710 4.352 3.998 1.00 . A A . 83 ASP CG 1 1 20 8611 1 1 26 ASP H H -9.514 2.848 0.862 1.00 . A A . 83 ASP H 1 1 20 8612 1 1 26 ASP HA H -11.663 1.912 2.623 1.00 . A A . 83 ASP HA 1 1 20 8613 1 1 26 ASP HB2 H -9.924 3.245 3.705 1.00 . A A . 83 ASP HB2 1 1 20 8614 1 1 26 ASP HB3 H -10.173 4.551 2.542 1.00 . A A . 83 ASP HB3 1 1 20 8615 1 1 26 ASP N N -10.183 2.226 1.217 1.00 . A A . 83 ASP N 1 1 20 8616 1 1 26 ASP O O -12.098 4.521 0.740 1.00 . A A . 83 ASP O 1 1 20 8617 1 1 26 ASP OXT O -13.400 2.785 1.068 1.00 . A A . 83 ASP OXT 1 1 20 8618 1 1 26 ASP OD1 O -12.131 3.672 4.955 1.00 . A A . 83 ASP OD1 1 1 20 8619 1 1 26 ASP OD2 O -12.106 5.513 3.777 1.00 . A A . 83 ASP OD2 1 1 20 8620 2 2 1 ZN ZN ZN -4.186 -3.040 -2.166 1.00 . B A . 101 ZN ZN 1 1 stop_ save_
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