NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
368525 | 1av3 | cing | 4-filtered-FRED | STAR | entry | full | 349 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1av3 # This FRED archive file contains, for PDB entry <1av3>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend, # JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with # curated sets of experimental NMR restraints for over 4,000 protein and nucleic # acid PDB entries. (in preparation) save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_1av3 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1av3 _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 3273.80 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 $KAPPA_PVIIA A . 1 1 stop_ save_ save_KAPPA_PVIIA _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "KAPPA PVIIA" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code CRIXNQKCFQHLDDCCSRKCNRFNKCV _Entity.Number_of_monomers 27 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 CYS . 1 1 2 ARG . 1 1 3 ILE . 1 1 4 HYP $HYP 1 1 5 ASN . 1 1 6 GLN . 1 1 7 LYS . 1 1 8 CYS . 1 1 9 PHE . 1 1 10 GLN . 1 1 11 HIS . 1 1 12 LEU . 1 1 13 ASP . 1 1 14 ASP . 1 1 15 CYS . 1 1 16 CYS . 1 1 17 SER . 1 1 18 ARG . 1 1 19 LYS . 1 1 20 CYS . 1 1 21 ASN . 1 1 22 ARG . 1 1 23 PHE . 1 1 24 ASN . 1 1 25 LYS . 1 1 26 CYS . 1 1 27 VAL . 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 CYS 1 1 1 1 ARG 2 2 1 1 ILE 3 3 1 1 HYP 4 4 1 1 ASN 5 5 1 1 GLN 6 6 1 1 LYS 7 7 1 1 CYS 8 8 1 1 PHE 9 9 1 1 GLN 10 10 1 1 HIS 11 11 1 1 LEU 12 12 1 1 ASP 13 13 1 1 ASP 14 14 1 1 CYS 15 15 1 1 CYS 16 16 1 1 SER 17 17 1 1 ARG 18 18 1 1 LYS 19 19 1 1 CYS 20 20 1 1 ASN 21 21 1 1 ARG 22 22 1 1 PHE 23 23 1 1 ASN 24 24 1 1 LYS 25 25 1 1 CYS 26 26 1 1 VAL 27 27 1 1 stop_ save_ save_HYP _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID HYP _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 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 1 CYS HA . 1 . HA 1 1 1 1 2 1 1 2 ARG H . 2 . HN 1 1 2 1 1 1 1 1 CYS QB . 1 . HB* 1 1 2 1 2 1 1 2 ARG H . 2 . HN 1 1 3 1 1 1 1 2 ARG H . 2 . HN 1 1 3 1 2 1 1 2 ARG QG . 2 . HG* 1 1 4 1 1 1 1 2 ARG H . 2 . HN 1 1 4 1 2 1 1 3 ILE H . 3 . HN 1 1 5 1 1 1 1 2 ARG H . 2 . HN 1 1 5 1 2 1 1 14 ASP HB3 . 14 . HB1 1 1 6 1 1 1 1 2 ARG H . 2 . HN 1 1 6 1 2 1 1 14 ASP HB2 . 14 . HB2 1 1 7 1 1 1 1 2 ARG H . 2 . HN 1 1 7 1 2 1 1 15 CYS HA . 15 . HA 1 1 8 1 1 1 1 2 ARG H . 2 . HN 1 1 8 1 2 1 1 16 CYS HA . 16 . HA 1 1 9 1 1 1 1 2 ARG HA . 2 . HA 1 1 9 1 2 1 1 3 ILE H . 3 . HN 1 1 10 1 1 1 1 2 ARG HE . 2 . HE 1 1 10 1 2 1 1 3 ILE H . 3 . HN 1 1 11 1 1 1 1 2 ARG QB . 2 . HB* 1 1 11 1 2 1 1 3 ILE H . 3 . HN 1 1 12 1 1 1 1 2 ARG QD . 2 . HD* 1 1 12 1 2 1 1 3 ILE H . 3 . HN 1 1 13 1 1 1 1 2 ARG QG . 2 . HG* 1 1 13 1 2 1 1 3 ILE H . 3 . HN 1 1 14 1 1 1 1 3 ILE H . 3 . HN 1 1 14 1 2 1 1 3 ILE HB . 3 . HB 1 1 15 1 1 1 1 3 ILE H . 3 . HN 1 1 15 1 2 1 1 3 ILE MD . 3 . HD* 1 1 16 1 1 1 1 3 ILE H . 3 . HN 1 1 16 1 2 1 1 3 ILE QG . 3 . HG1* 1 1 17 1 1 1 1 3 ILE H . 3 . HN 1 1 17 1 2 1 1 3 ILE MG . 3 . HG2* 1 1 18 1 1 1 1 3 ILE H . 3 . HN 1 1 18 1 2 1 1 4 HYP HD1 . 4 . HD1* 1 1 19 1 1 1 1 4 HYP HA . 4 . HA 1 1 19 1 2 1 1 5 ASN H . 5 . HN 1 1 20 1 1 1 1 4 HYP HD1 . 4 . HD1* 1 1 20 1 2 1 1 5 ASN H . 5 . HN 1 1 21 1 1 1 1 5 ASN H . 5 . HN 1 1 21 1 2 1 1 5 ASN HA . 5 . HA 1 1 22 1 1 1 1 5 ASN H . 5 . HN 1 1 22 1 2 1 1 6 GLN H . 6 . HN 1 1 23 1 1 1 1 5 ASN H . 5 . HN 1 1 23 1 2 1 1 26 CYS H . 26 . HN 1 1 24 1 1 1 1 5 ASN H . 5 . HN 1 1 24 1 2 1 1 26 CYS HB3 . 26 . HB1 1 1 25 1 1 1 1 5 ASN H . 5 . HN 1 1 25 1 2 1 1 26 CYS HB2 . 26 . HB2 1 1 26 1 1 1 1 3 ILE QG . 3 . HG1* 1 1 26 1 2 1 1 6 GLN H . 6 . HN 1 1 27 1 1 1 1 3 ILE MD . 3 . HD* 1 1 27 1 2 1 1 6 GLN HE21 . 6 . HE21 1 1 28 1 1 1 1 3 ILE QG . 3 . HG1* 1 1 28 1 2 1 1 6 GLN HE21 . 6 . HE21 1 1 29 1 1 1 1 3 ILE MG . 3 . HG2* 1 1 29 1 2 1 1 6 GLN HE21 . 6 . HE21 1 1 30 1 1 1 1 3 ILE QG . 3 . HG1* 1 1 30 1 2 1 1 6 GLN HE22 . 6 . HE22 1 1 31 1 1 1 1 3 ILE MG . 3 . HG2* 1 1 31 1 2 1 1 6 GLN HE22 . 6 . HE22 1 1 32 1 1 1 1 4 HYP HA . 4 . HA 1 1 32 1 2 1 1 6 GLN H . 6 . HN 1 1 33 1 1 1 1 5 ASN QB . 5 . HB* 1 1 33 1 2 1 1 6 GLN H . 6 . HN 1 1 34 1 1 1 1 5 ASN HA . 5 . HA 1 1 34 1 2 1 1 6 GLN H . 6 . HN 1 1 35 1 1 1 1 6 GLN H . 6 . HN 1 1 35 1 2 1 1 6 GLN QB . 6 . HB* 1 1 36 1 1 1 1 6 GLN H . 6 . HN 1 1 36 1 2 1 1 6 GLN QG . 6 . HG* 1 1 37 1 1 1 1 6 GLN H . 6 . HN 1 1 37 1 2 1 1 26 CYS HB3 . 26 . HB1 1 1 38 1 1 1 1 6 GLN H . 6 . HN 1 1 38 1 2 1 1 26 CYS HB2 . 26 . HB2 1 1 39 1 1 1 1 6 GLN HA . 6 . HA 1 1 39 1 2 1 1 7 LYS H . 7 . HN 1 1 40 1 1 1 1 6 GLN H . 6 . HN 1 1 40 1 2 1 1 7 LYS H . 7 . HN 1 1 41 1 1 1 1 6 GLN QG . 6 . HG* 1 1 41 1 2 1 1 7 LYS H . 7 . HN 1 1 42 1 1 1 1 7 LYS H . 7 . HN 1 1 42 1 2 1 1 7 LYS QB . 7 . HB* 1 1 43 1 1 1 1 7 LYS H . 7 . HN 1 1 43 1 2 1 1 7 LYS QG . 7 . HG* 1 1 44 1 1 1 1 7 LYS H . 7 . HN 1 1 44 1 2 1 1 8 CYS H . 8 . HN 1 1 45 1 1 1 1 7 LYS H . 7 . HN 1 1 45 1 2 1 1 25 LYS HA . 25 . HA 1 1 46 1 1 1 1 7 LYS HA . 7 . HA 1 1 46 1 2 1 1 8 CYS H . 8 . HN 1 1 47 1 1 1 1 7 LYS QB . 7 . HB* 1 1 47 1 2 1 1 8 CYS H . 8 . HN 1 1 48 1 1 1 1 7 LYS QD . 7 . HD* 1 1 48 1 2 1 1 8 CYS H . 8 . HN 1 1 49 1 1 1 1 7 LYS QG . 7 . HG* 1 1 49 1 2 1 1 8 CYS H . 8 . HN 1 1 50 1 1 1 1 8 CYS H . 8 . HN 1 1 50 1 2 1 1 24 ASN HA . 24 . HA 1 1 51 1 1 1 1 8 CYS H . 8 . HN 1 1 51 1 2 1 1 24 ASN QB . 24 . HB* 1 1 52 1 1 1 1 8 CYS H . 8 . HN 1 1 52 1 2 1 1 25 LYS HA . 25 . HA 1 1 53 1 1 1 1 8 CYS HA . 8 . HA 1 1 53 1 2 1 1 9 PHE H . 9 . HN 1 1 54 1 1 1 1 8 CYS QB . 8 . HB* 1 1 54 1 2 1 1 9 PHE H . 9 . HN 1 1 55 1 1 1 1 9 PHE QD . 9 . HD* 1 1 55 1 2 1 1 12 LEU QB . 12 . HB* 1 1 56 1 1 1 1 9 PHE QD . 9 . HD* 1 1 56 1 2 1 1 12 LEU QD . 12 . HD* 1 1 57 1 1 1 1 9 PHE H . 9 . HN 1 1 57 1 2 1 1 10 GLN H . 10 . HN 1 1 58 1 1 1 1 9 PHE HA . 9 . HA 1 1 58 1 2 1 1 10 GLN H . 10 . HN 1 1 59 1 1 1 1 9 PHE QB . 9 . HB* 1 1 59 1 2 1 1 10 GLN H . 10 . HN 1 1 60 1 1 1 1 9 PHE QD . 9 . HD* 1 1 60 1 2 1 1 10 GLN H . 10 . HN 1 1 61 1 1 1 1 10 GLN H . 10 . HN 1 1 61 1 2 1 1 10 GLN HA . 10 . HA 1 1 62 1 1 1 1 10 GLN H . 10 . HN 1 1 62 1 2 1 1 10 GLN QB . 10 . HB* 1 1 63 1 1 1 1 10 GLN H . 10 . HN 1 1 63 1 2 1 1 10 GLN QG . 10 . HG* 1 1 64 1 1 1 1 10 GLN H . 10 . HN 1 1 64 1 2 1 1 10 GLN HE21 . 10 . HE21 1 1 65 1 1 1 1 10 GLN HA . 10 . HA 1 1 65 1 2 1 1 10 GLN HE21 . 10 . HE21 1 1 66 1 1 1 1 10 GLN H . 10 . HN 1 1 66 1 2 1 1 11 HIS H . 11 . HN 1 1 67 1 1 1 1 10 GLN HE21 . 10 . HE21 1 1 67 1 2 1 1 22 ARG HA . 22 . HA 1 1 68 1 1 1 1 10 GLN HE22 . 10 . HE22 1 1 68 1 2 1 1 22 ARG HA . 22 . HA 1 1 69 1 1 1 1 10 GLN HE22 . 10 . HE22 1 1 69 1 2 1 1 24 ASN HA . 24 . HA 1 1 70 1 1 1 1 10 GLN HA . 10 . HA 1 1 70 1 2 1 1 11 HIS H . 11 . HN 1 1 71 1 1 1 1 10 GLN QB . 10 . HB* 1 1 71 1 2 1 1 11 HIS H . 11 . HN 1 1 72 1 1 1 1 10 GLN QG . 10 . HG* 1 1 72 1 2 1 1 11 HIS H . 11 . HN 1 1 73 1 1 1 1 10 GLN QB . 10 . HB* 1 1 73 1 2 1 1 11 HIS HD2 . 11 . HD2 1 1 74 1 1 1 1 11 HIS H . 11 . HN 1 1 74 1 2 1 1 11 HIS HD2 . 11 . HD2 1 1 75 1 1 1 1 11 HIS H . 11 . HN 1 1 75 1 2 1 1 12 LEU H . 12 . HN 1 1 76 1 1 1 1 10 GLN HA . 10 . HA 1 1 76 1 2 1 1 12 LEU H . 12 . HN 1 1 77 1 1 1 1 10 GLN H . 10 . HN 1 1 77 1 2 1 1 12 LEU H . 12 . HN 1 1 78 1 1 1 1 11 HIS HA . 11 . HA 1 1 78 1 2 1 1 12 LEU H . 12 . HN 1 1 79 1 1 1 1 11 HIS QB . 11 . HB* 1 1 79 1 2 1 1 12 LEU H . 12 . HN 1 1 80 1 1 1 1 12 LEU H . 12 . HN 1 1 80 1 2 1 1 12 LEU HG . 12 . HG 1 1 81 1 1 1 1 12 LEU HA . 12 . HA 1 1 81 1 2 1 1 13 ASP H . 13 . HN 1 1 82 1 1 1 1 12 LEU HG . 12 . HG 1 1 82 1 2 1 1 13 ASP H . 13 . HN 1 1 83 1 1 1 1 12 LEU H . 12 . HN 1 1 83 1 2 1 1 13 ASP H . 13 . HN 1 1 84 1 1 1 1 12 LEU QB . 12 . HB* 1 1 84 1 2 1 1 13 ASP H . 13 . HN 1 1 85 1 1 1 1 12 LEU QD . 12 . HD* 1 1 85 1 2 1 1 13 ASP H . 13 . HN 1 1 86 1 1 1 1 12 LEU HA . 12 . HA 1 1 86 1 2 1 1 14 ASP H . 14 . HN 1 1 87 1 1 1 1 12 LEU QD . 12 . HD* 1 1 87 1 2 1 1 14 ASP H . 14 . HN 1 1 88 1 1 1 1 13 ASP HA . 13 . HA 1 1 88 1 2 1 1 14 ASP H . 14 . HN 1 1 89 1 1 1 1 13 ASP QB . 13 . HB* 1 1 89 1 2 1 1 14 ASP H . 14 . HN 1 1 90 1 1 1 1 14 ASP H . 14 . HN 1 1 90 1 2 1 1 14 ASP HB3 . 14 . HB1 1 1 91 1 1 1 1 14 ASP H . 14 . HN 1 1 91 1 2 1 1 14 ASP HB2 . 14 . HB2 1 1 92 1 1 1 1 2 ARG QB . 2 . HB* 1 1 92 1 2 1 1 15 CYS H . 15 . HN 1 1 93 1 1 1 1 2 ARG QG . 2 . HG* 1 1 93 1 2 1 1 15 CYS H . 15 . HN 1 1 94 1 1 1 1 14 ASP HA . 14 . HA 1 1 94 1 2 1 1 15 CYS H . 15 . HN 1 1 95 1 1 1 1 14 ASP HB2 . 14 . HB2 1 1 95 1 2 1 1 15 CYS H . 15 . HN 1 1 96 1 1 1 1 15 CYS H . 15 . HN 1 1 96 1 2 1 1 15 CYS HB3 . 15 . HB1 1 1 97 1 1 1 1 15 CYS H . 15 . HN 1 1 97 1 2 1 1 15 CYS HB2 . 15 . HB2 1 1 98 1 1 1 1 15 CYS H . 15 . HN 1 1 98 1 2 1 1 18 ARG HA . 18 . HA 1 1 99 1 1 1 1 15 CYS H . 15 . HN 1 1 99 1 2 1 1 18 ARG H . 18 . HN 1 1 100 1 1 1 1 2 ARG H . 2 . HN 1 1 100 1 2 1 1 16 CYS H . 16 . HN 1 1 101 1 1 1 1 2 ARG QB . 2 . HB* 1 1 101 1 2 1 1 16 CYS H . 16 . HN 1 1 102 1 1 1 1 2 ARG QG . 2 . HG* 1 1 102 1 2 1 1 16 CYS H . 16 . HN 1 1 103 1 1 1 1 3 ILE HA . 3 . HA 1 1 103 1 2 1 1 16 CYS H . 16 . HN 1 1 104 1 1 1 1 15 CYS HA . 15 . HA 1 1 104 1 2 1 1 16 CYS H . 16 . HN 1 1 105 1 1 1 1 15 CYS H . 15 . HN 1 1 105 1 2 1 1 16 CYS H . 16 . HN 1 1 106 1 1 1 1 15 CYS HB3 . 15 . HB1 1 1 106 1 2 1 1 16 CYS H . 16 . HN 1 1 107 1 1 1 1 15 CYS HB2 . 15 . HB2 1 1 107 1 2 1 1 16 CYS H . 16 . HN 1 1 108 1 1 1 1 16 CYS H . 16 . HN 1 1 108 1 2 1 1 16 CYS HB3 . 16 . HB1 1 1 109 1 1 1 1 16 CYS H . 16 . HN 1 1 109 1 2 1 1 16 CYS HB2 . 16 . HB2 1 1 110 1 1 1 1 16 CYS H . 16 . HN 1 1 110 1 2 1 1 17 SER H . 17 . HN 1 1 111 1 1 1 1 16 CYS H . 16 . HN 1 1 111 1 2 1 1 18 ARG H . 18 . HN 1 1 112 1 1 1 1 15 CYS HB3 . 15 . HB1 1 1 112 1 2 1 1 17 SER H . 17 . HN 1 1 113 1 1 1 1 15 CYS HB2 . 15 . HB2 1 1 113 1 2 1 1 17 SER H . 17 . HN 1 1 114 1 1 1 1 16 CYS HA . 16 . HA 1 1 114 1 2 1 1 17 SER H . 17 . HN 1 1 115 1 1 1 1 16 CYS HB3 . 16 . HB1 1 1 115 1 2 1 1 17 SER H . 17 . HN 1 1 116 1 1 1 1 16 CYS HB2 . 16 . HB2 1 1 116 1 2 1 1 17 SER H . 17 . HN 1 1 117 1 1 1 1 17 SER H . 17 . HN 1 1 117 1 2 1 1 17 SER HB3 . 17 . HB1 1 1 118 1 1 1 1 17 SER H . 17 . HN 1 1 118 1 2 1 1 17 SER HB2 . 17 . HB2 1 1 119 1 1 1 1 17 SER H . 17 . HN 1 1 119 1 2 1 1 18 ARG H . 18 . HN 1 1 120 1 1 1 1 17 SER H . 17 . HN 1 1 120 1 2 1 1 18 ARG QG . 18 . HG* 1 1 121 1 1 1 1 17 SER H . 17 . HN 1 1 121 1 2 1 1 19 LYS H . 19 . HN 1 1 122 1 1 1 1 1 CYS QB . 1 . HB* 1 1 122 1 2 1 1 18 ARG H . 18 . HN 1 1 123 1 1 1 1 2 ARG H . 2 . HN 1 1 123 1 2 1 1 18 ARG H . 18 . HN 1 1 124 1 1 1 1 15 CYS HB3 . 15 . HB1 1 1 124 1 2 1 1 18 ARG H . 18 . HN 1 1 125 1 1 1 1 15 CYS HB2 . 15 . HB2 1 1 125 1 2 1 1 18 ARG H . 18 . HN 1 1 126 1 1 1 1 16 CYS HA . 16 . HA 1 1 126 1 2 1 1 18 ARG H . 18 . HN 1 1 127 1 1 1 1 17 SER HA . 17 . HA 1 1 127 1 2 1 1 18 ARG H . 18 . HN 1 1 128 1 1 1 1 18 ARG H . 18 . HN 1 1 128 1 2 1 1 18 ARG HA . 18 . HA 1 1 129 1 1 1 1 18 ARG H . 18 . HN 1 1 129 1 2 1 1 18 ARG QG . 18 . HG* 1 1 130 1 1 1 1 18 ARG H . 18 . HN 1 1 130 1 2 1 1 19 LYS H . 19 . HN 1 1 131 1 1 1 1 15 CYS HB3 . 15 . HB1 1 1 131 1 2 1 1 19 LYS H . 19 . HN 1 1 132 1 1 1 1 15 CYS HB2 . 15 . HB2 1 1 132 1 2 1 1 19 LYS H . 19 . HN 1 1 133 1 1 1 1 17 SER HA . 17 . HA 1 1 133 1 2 1 1 19 LYS H . 19 . HN 1 1 134 1 1 1 1 17 SER HB3 . 17 . HB1 1 1 134 1 2 1 1 19 LYS H . 19 . HN 1 1 135 1 1 1 1 17 SER HB2 . 17 . HB2 1 1 135 1 2 1 1 19 LYS H . 19 . HN 1 1 136 1 1 1 1 18 ARG HA . 18 . HA 1 1 136 1 2 1 1 19 LYS H . 19 . HN 1 1 137 1 1 1 1 18 ARG QB . 18 . HB* 1 1 137 1 2 1 1 19 LYS H . 19 . HN 1 1 138 1 1 1 1 19 LYS H . 19 . HN 1 1 138 1 2 1 1 19 LYS HB3 . 19 . HB1 1 1 139 1 1 1 1 19 LYS H . 19 . HN 1 1 139 1 2 1 1 19 LYS HB2 . 19 . HB2 1 1 140 1 1 1 1 19 LYS H . 19 . HN 1 1 140 1 2 1 1 19 LYS QG . 19 . HG* 1 1 141 1 1 1 1 19 LYS H . 19 . HN 1 1 141 1 2 1 1 27 VAL HB . 27 . HB 1 1 142 1 1 1 1 19 LYS H . 19 . HN 1 1 142 1 2 1 1 27 VAL QG . 27 . HG* 1 1 143 1 1 1 1 19 LYS HA . 19 . HA 1 1 143 1 2 1 1 20 CYS H . 20 . HN 1 1 144 1 1 1 1 19 LYS H . 19 . HN 1 1 144 1 2 1 1 20 CYS H . 20 . HN 1 1 145 1 1 1 1 19 LYS HB3 . 19 . HB1 1 1 145 1 2 1 1 20 CYS H . 20 . HN 1 1 146 1 1 1 1 19 LYS HB2 . 19 . HB2 1 1 146 1 2 1 1 20 CYS H . 20 . HN 1 1 147 1 1 1 1 19 LYS QG . 19 . HG* 1 1 147 1 2 1 1 20 CYS H . 20 . HN 1 1 148 1 1 1 1 20 CYS H . 20 . HN 1 1 148 1 2 1 1 20 CYS HB3 . 20 . HB1 1 1 149 1 1 1 1 20 CYS H . 20 . HN 1 1 149 1 2 1 1 20 CYS HB2 . 20 . HB2 1 1 150 1 1 1 1 20 CYS H . 20 . HN 1 1 150 1 2 1 1 27 VAL QG . 27 . HG* 1 1 151 1 1 1 1 20 CYS H . 20 . HN 1 1 151 1 2 1 1 21 ASN H . 21 . HN 1 1 152 1 1 1 1 20 CYS HA . 20 . HA 1 1 152 1 2 1 1 21 ASN H . 21 . HN 1 1 153 1 1 1 1 20 CYS HB2 . 20 . HB2 1 1 153 1 2 1 1 21 ASN H . 21 . HN 1 1 154 1 1 1 1 21 ASN H . 21 . HN 1 1 154 1 2 1 1 21 ASN HD21 . 21 . HD21 1 1 155 1 1 1 1 21 ASN H . 21 . HN 1 1 155 1 2 1 1 21 ASN HD22 . 21 . HD22 1 1 156 1 1 1 1 21 ASN H . 21 . HN 1 1 156 1 2 1 1 22 ARG H . 22 . HN 1 1 157 1 1 1 1 21 ASN H . 21 . HN 1 1 157 1 2 1 1 23 PHE H . 23 . HN 1 1 158 1 1 1 1 21 ASN H . 21 . HN 1 1 158 1 2 1 1 24 ASN HA . 24 . HA 1 1 159 1 1 1 1 21 ASN H . 21 . HN 1 1 159 1 2 1 1 24 ASN H . 24 . HN 1 1 160 1 1 1 1 21 ASN H . 21 . HN 1 1 160 1 2 1 1 25 LYS H . 25 . HN 1 1 161 1 1 1 1 21 ASN H . 21 . HN 1 1 161 1 2 1 1 25 LYS HB3 . 25 . HB1 1 1 162 1 1 1 1 21 ASN H . 21 . HN 1 1 162 1 2 1 1 25 LYS HB2 . 25 . HB2 1 1 163 1 1 1 1 21 ASN HD22 . 21 . HD22 1 1 163 1 2 1 1 25 LYS HB3 . 25 . HB1 1 1 164 1 1 1 1 21 ASN HD22 . 21 . HD22 1 1 164 1 2 1 1 25 LYS HB2 . 25 . HB2 1 1 165 1 1 1 1 21 ASN HD22 . 21 . HD22 1 1 165 1 2 1 1 25 LYS QG . 25 . HG* 1 1 166 1 1 1 1 21 ASN H . 21 . HN 1 1 166 1 2 1 1 26 CYS HA . 26 . HA 1 1 167 1 1 1 1 21 ASN H . 21 . HN 1 1 167 1 2 1 1 27 VAL H . 27 . HN 1 1 168 1 1 1 1 21 ASN H . 21 . HN 1 1 168 1 2 1 1 27 VAL QG . 27 . HG* 1 1 169 1 1 1 1 21 ASN HD21 . 21 . HD21 1 1 169 1 2 1 1 27 VAL QG . 27 . HG* 1 1 170 1 1 1 1 21 ASN HD22 . 21 . HD22 1 1 170 1 2 1 1 27 VAL QG . 27 . HG* 1 1 171 1 1 1 1 21 ASN HA . 21 . HA 1 1 171 1 2 1 1 22 ARG H . 22 . HN 1 1 172 1 1 1 1 21 ASN QB . 21 . HB* 1 1 172 1 2 1 1 22 ARG H . 22 . HN 1 1 173 1 1 1 1 21 ASN HD21 . 21 . HD21 1 1 173 1 2 1 1 22 ARG H . 22 . HN 1 1 174 1 1 1 1 21 ASN HD22 . 21 . HD22 1 1 174 1 2 1 1 22 ARG H . 22 . HN 1 1 175 1 1 1 1 22 ARG HB2 . 22 . HB2 1 1 175 1 2 1 1 22 ARG HE . 22 . HE 1 1 176 1 1 1 1 22 ARG H . 22 . HN 1 1 176 1 2 1 1 22 ARG HA . 22 . HA 1 1 177 1 1 1 1 22 ARG H . 22 . HN 1 1 177 1 2 1 1 22 ARG HB3 . 22 . HB1 1 1 178 1 1 1 1 22 ARG H . 22 . HN 1 1 178 1 2 1 1 22 ARG HB2 . 22 . HB2 1 1 179 1 1 1 1 22 ARG H . 22 . HN 1 1 179 1 2 1 1 22 ARG QD . 22 . HD* 1 1 180 1 1 1 1 22 ARG H . 22 . HN 1 1 180 1 2 1 1 22 ARG QG . 22 . HG* 1 1 181 1 1 1 1 22 ARG H . 22 . HN 1 1 181 1 2 1 1 23 PHE H . 23 . HN 1 1 182 1 1 1 1 22 ARG H . 22 . HN 1 1 182 1 2 1 1 27 VAL QG . 27 . HG* 1 1 183 1 1 1 1 21 ASN QB . 21 . HB* 1 1 183 1 2 1 1 23 PHE H . 23 . HN 1 1 184 1 1 1 1 21 ASN HD21 . 21 . HD21 1 1 184 1 2 1 1 23 PHE H . 23 . HN 1 1 185 1 1 1 1 21 ASN QB . 21 . HB* 1 1 185 1 2 1 1 23 PHE QD . 23 . HD* 1 1 186 1 1 1 1 22 ARG HA . 22 . HA 1 1 186 1 2 1 1 23 PHE H . 23 . HN 1 1 187 1 1 1 1 22 ARG HB3 . 22 . HB1 1 1 187 1 2 1 1 23 PHE H . 23 . HN 1 1 188 1 1 1 1 22 ARG HB2 . 22 . HB2 1 1 188 1 2 1 1 23 PHE H . 23 . HN 1 1 189 1 1 1 1 22 ARG QG . 22 . HG* 1 1 189 1 2 1 1 23 PHE H . 23 . HN 1 1 190 1 1 1 1 22 ARG QD . 22 . HD* 1 1 190 1 2 1 1 23 PHE HZ . 23 . HZ 1 1 191 1 1 1 1 22 ARG QG . 22 . HG* 1 1 191 1 2 1 1 23 PHE HZ . 23 . HZ 1 1 192 1 1 1 1 22 ARG HB3 . 22 . HB1 1 1 192 1 2 1 1 23 PHE QD . 23 . HD* 1 1 193 1 1 1 1 22 ARG HB2 . 22 . HB2 1 1 193 1 2 1 1 23 PHE QD . 23 . HD* 1 1 194 1 1 1 1 22 ARG QD . 22 . HD* 1 1 194 1 2 1 1 23 PHE QD . 23 . HD* 1 1 195 1 1 1 1 22 ARG QG . 22 . HG* 1 1 195 1 2 1 1 23 PHE QD . 23 . HD* 1 1 196 1 1 1 1 22 ARG QD . 22 . HD* 1 1 196 1 2 1 1 23 PHE QE . 23 . HE* 1 1 197 1 1 1 1 22 ARG QG . 22 . HG* 1 1 197 1 2 1 1 23 PHE QE . 23 . HE* 1 1 198 1 1 1 1 23 PHE H . 23 . HN 1 1 198 1 2 1 1 23 PHE HB3 . 23 . HB1 1 1 199 1 1 1 1 23 PHE H . 23 . HN 1 1 199 1 2 1 1 23 PHE HB2 . 23 . HB2 1 1 200 1 1 1 1 23 PHE H . 23 . HN 1 1 200 1 2 1 1 24 ASN HA . 24 . HA 1 1 201 1 1 1 1 23 PHE H . 23 . HN 1 1 201 1 2 1 1 25 LYS H . 25 . HN 1 1 202 1 1 1 1 23 PHE QD . 23 . HD* 1 1 202 1 2 1 1 25 LYS HB3 . 25 . HB1 1 1 203 1 1 1 1 23 PHE QD . 23 . HD* 1 1 203 1 2 1 1 27 VAL QG . 27 . HG* 1 1 204 1 1 1 1 10 GLN HE22 . 10 . HE22 1 1 204 1 2 1 1 24 ASN H . 24 . HN 1 1 205 1 1 1 1 22 ARG HA . 22 . HA 1 1 205 1 2 1 1 24 ASN H . 24 . HN 1 1 206 1 1 1 1 22 ARG H . 22 . HN 1 1 206 1 2 1 1 24 ASN H . 24 . HN 1 1 207 1 1 1 1 23 PHE HA . 23 . HA 1 1 207 1 2 1 1 24 ASN H . 24 . HN 1 1 208 1 1 1 1 23 PHE H . 23 . HN 1 1 208 1 2 1 1 24 ASN H . 24 . HN 1 1 209 1 1 1 1 23 PHE HB3 . 23 . HB1 1 1 209 1 2 1 1 24 ASN H . 24 . HN 1 1 210 1 1 1 1 24 ASN H . 24 . HN 1 1 210 1 2 1 1 24 ASN HA . 24 . HA 1 1 211 1 1 1 1 24 ASN H . 24 . HN 1 1 211 1 2 1 1 25 LYS H . 25 . HN 1 1 212 1 1 1 1 24 ASN H . 24 . HN 1 1 212 1 2 1 1 25 LYS QG . 25 . HG* 1 1 213 1 1 1 1 21 ASN HA . 21 . HA 1 1 213 1 2 1 1 25 LYS H . 25 . HN 1 1 214 1 1 1 1 21 ASN QB . 21 . HB* 1 1 214 1 2 1 1 25 LYS H . 25 . HN 1 1 215 1 1 1 1 21 ASN HD22 . 21 . HD22 1 1 215 1 2 1 1 25 LYS H . 25 . HN 1 1 216 1 1 1 1 23 PHE HB3 . 23 . HB1 1 1 216 1 2 1 1 25 LYS H . 25 . HN 1 1 217 1 1 1 1 23 PHE HB2 . 23 . HB2 1 1 217 1 2 1 1 25 LYS H . 25 . HN 1 1 218 1 1 1 1 24 ASN HA . 24 . HA 1 1 218 1 2 1 1 25 LYS H . 25 . HN 1 1 219 1 1 1 1 24 ASN QB . 24 . HB* 1 1 219 1 2 1 1 25 LYS H . 25 . HN 1 1 220 1 1 1 1 25 LYS H . 25 . HN 1 1 220 1 2 1 1 25 LYS HB3 . 25 . HB1 1 1 221 1 1 1 1 25 LYS H . 25 . HN 1 1 221 1 2 1 1 25 LYS HB2 . 25 . HB2 1 1 222 1 1 1 1 25 LYS H . 25 . HN 1 1 222 1 2 1 1 25 LYS QG . 25 . HG* 1 1 223 1 1 1 1 25 LYS H . 25 . HN 1 1 223 1 2 1 1 27 VAL QG . 27 . HG* 1 1 224 1 1 1 1 4 HYP HA . 4 . HA 1 1 224 1 2 1 1 26 CYS H . 26 . HN 1 1 225 1 1 1 1 5 ASN HA . 5 . HA 1 1 225 1 2 1 1 26 CYS H . 26 . HN 1 1 226 1 1 1 1 6 GLN HA . 6 . HA 1 1 226 1 2 1 1 26 CYS H . 26 . HN 1 1 227 1 1 1 1 6 GLN H . 6 . HN 1 1 227 1 2 1 1 26 CYS H . 26 . HN 1 1 228 1 1 1 1 6 GLN QB . 6 . HB* 1 1 228 1 2 1 1 26 CYS H . 26 . HN 1 1 229 1 1 1 1 7 LYS H . 7 . HN 1 1 229 1 2 1 1 26 CYS H . 26 . HN 1 1 230 1 1 1 1 7 LYS HA . 7 . HA 1 1 230 1 2 1 1 26 CYS H . 26 . HN 1 1 231 1 1 1 1 8 CYS H . 8 . HN 1 1 231 1 2 1 1 26 CYS H . 26 . HN 1 1 232 1 1 1 1 8 CYS QB . 8 . HB* 1 1 232 1 2 1 1 26 CYS H . 26 . HN 1 1 233 1 1 1 1 25 LYS HA . 25 . HA 1 1 233 1 2 1 1 26 CYS H . 26 . HN 1 1 234 1 1 1 1 25 LYS H . 25 . HN 1 1 234 1 2 1 1 26 CYS H . 26 . HN 1 1 235 1 1 1 1 25 LYS HB3 . 25 . HB1 1 1 235 1 2 1 1 26 CYS H . 26 . HN 1 1 236 1 1 1 1 25 LYS HB2 . 25 . HB2 1 1 236 1 2 1 1 26 CYS H . 26 . HN 1 1 237 1 1 1 1 26 CYS H . 26 . HN 1 1 237 1 2 1 1 26 CYS HB3 . 26 . HB1 1 1 238 1 1 1 1 26 CYS H . 26 . HN 1 1 238 1 2 1 1 26 CYS HB2 . 26 . HB2 1 1 239 1 1 1 1 4 HYP HA . 4 . HA 1 1 239 1 2 1 1 27 VAL H . 27 . HN 1 1 240 1 1 1 1 19 LYS H . 19 . HN 1 1 240 1 2 1 1 27 VAL H . 27 . HN 1 1 241 1 1 1 1 19 LYS HB3 . 19 . HB1 1 1 241 1 2 1 1 27 VAL H . 27 . HN 1 1 242 1 1 1 1 19 LYS HB2 . 19 . HB2 1 1 242 1 2 1 1 27 VAL H . 27 . HN 1 1 243 1 1 1 1 20 CYS HA . 20 . HA 1 1 243 1 2 1 1 27 VAL H . 27 . HN 1 1 244 1 1 1 1 26 CYS HA . 26 . HA 1 1 244 1 2 1 1 27 VAL H . 27 . HN 1 1 245 1 1 1 1 26 CYS HB3 . 26 . HB1 1 1 245 1 2 1 1 27 VAL H . 27 . HN 1 1 246 1 1 1 1 26 CYS HB2 . 26 . HB2 1 1 246 1 2 1 1 27 VAL H . 27 . HN 1 1 247 1 1 1 1 27 VAL H . 27 . HN 1 1 247 1 2 1 1 27 VAL HB . 27 . HB 1 1 248 1 1 1 1 2 ARG HA . 2 . HA 1 1 248 1 2 1 1 3 ILE QG . 3 . HG1* 1 1 249 1 1 1 1 2 ARG HA . 2 . HA 1 1 249 1 2 1 1 3 ILE MG . 3 . HG2* 1 1 250 1 1 1 1 2 ARG QD . 2 . HD* 1 1 250 1 2 1 1 6 GLN QB . 6 . HB* 1 1 251 1 1 1 1 3 ILE HA . 3 . HA 1 1 251 1 2 1 1 3 ILE HB . 3 . HB 1 1 252 1 1 1 1 3 ILE HA . 3 . HA 1 1 252 1 2 1 1 4 HYP HD1 . 4 . HD1* 1 1 253 1 1 1 1 3 ILE HB . 3 . HB 1 1 253 1 2 1 1 4 HYP HG . 4 . HG 1 1 254 1 1 1 1 3 ILE HB . 3 . HB 1 1 254 1 2 1 1 4 HYP HD1 . 4 . HD1* 1 1 255 1 1 1 1 3 ILE QG . 3 . HG1* 1 1 255 1 2 1 1 4 HYP HD1 . 4 . HD1* 1 1 256 1 1 1 1 3 ILE MG . 3 . HG2* 1 1 256 1 2 1 1 4 HYP HD1 . 4 . HD1* 1 1 257 1 1 1 1 4 HYP HA . 4 . HA 1 1 257 1 2 1 1 4 HYP HD1 . 4 . HD1* 1 1 258 1 1 1 1 4 HYP HA . 4 . HA 1 1 258 1 2 1 1 4 HYP HG . 4 . HG 1 1 259 1 1 1 1 4 HYP HD1 . 4 . HD1* 1 1 259 1 2 1 1 4 HYP HG . 4 . HG 1 1 260 1 1 1 1 4 HYP HA . 4 . HA 1 1 260 1 2 1 1 26 CYS HB3 . 26 . HB1 1 1 261 1 1 1 1 4 HYP HA . 4 . HA 1 1 261 1 2 1 1 26 CYS HB2 . 26 . HB2 1 1 262 1 1 1 1 5 ASN HA . 5 . HA 1 1 262 1 2 1 1 25 LYS HB3 . 25 . HB1 1 1 263 1 1 1 1 5 ASN HA . 5 . HA 1 1 263 1 2 1 1 25 LYS HB2 . 25 . HB2 1 1 264 1 1 1 1 2 ARG QB . 2 . HB* 1 1 264 1 2 1 1 6 GLN QB . 6 . HB* 1 1 265 1 1 1 1 2 ARG QB . 2 . HB* 1 1 265 1 2 1 1 6 GLN QG . 6 . HG* 1 1 266 1 1 1 1 3 ILE QG . 3 . HG1* 1 1 266 1 2 1 1 6 GLN QB . 6 . HB* 1 1 267 1 1 1 1 3 ILE MD . 3 . HD* 1 1 267 1 2 1 1 6 GLN QG . 6 . HG* 1 1 268 1 1 1 1 3 ILE QG . 3 . HG1* 1 1 268 1 2 1 1 6 GLN QG . 6 . HG* 1 1 269 1 1 1 1 7 LYS HA . 7 . HA 1 1 269 1 2 1 1 25 LYS QD . 25 . HD* 1 1 270 1 1 1 1 9 PHE QB . 9 . HB* 1 1 270 1 2 1 1 12 LEU HG . 12 . HG 1 1 271 1 1 1 1 9 PHE QB . 9 . HB* 1 1 271 1 2 1 1 12 LEU QB . 12 . HB* 1 1 272 1 1 1 1 9 PHE QB . 9 . HB* 1 1 272 1 2 1 1 12 LEU QD . 12 . HD* 1 1 273 1 1 1 1 10 GLN HA . 10 . HA 1 1 273 1 2 1 1 20 CYS HB3 . 20 . HB1 1 1 274 1 1 1 1 10 GLN HA . 10 . HA 1 1 274 1 2 1 1 20 CYS HB2 . 20 . HB2 1 1 275 1 1 1 1 2 ARG QD . 2 . HD* 1 1 275 1 2 1 1 15 CYS HA . 15 . HA 1 1 276 1 1 1 1 2 ARG QB . 2 . HB* 1 1 276 1 2 1 1 15 CYS HA . 15 . HA 1 1 277 1 1 1 1 1 CYS QB . 1 . HB* 1 1 277 1 2 1 1 16 CYS HA . 16 . HA 1 1 278 1 1 1 1 17 SER HA . 17 . HA 1 1 278 1 2 1 1 17 SER HB3 . 17 . HB1 1 1 279 1 1 1 1 17 SER HB3 . 17 . HB1 1 1 279 1 2 1 1 19 LYS HB2 . 19 . HB2 1 1 280 1 1 1 1 17 SER HB2 . 17 . HB2 1 1 280 1 2 1 1 19 LYS HB2 . 19 . HB2 1 1 281 1 1 1 1 17 SER HB3 . 17 . HB1 1 1 281 1 2 1 1 27 VAL HB . 27 . HB 1 1 282 1 1 1 1 17 SER HB3 . 17 . HB1 1 1 282 1 2 1 1 27 VAL QG . 27 . HG* 1 1 283 1 1 1 1 17 SER HB2 . 17 . HB2 1 1 283 1 2 1 1 27 VAL HB . 27 . HB 1 1 284 1 1 1 1 17 SER HB2 . 17 . HB2 1 1 284 1 2 1 1 27 VAL QG . 27 . HG* 1 1 285 1 1 1 1 15 CYS HB2 . 15 . HB2 1 1 285 1 2 1 1 18 ARG HA . 18 . HA 1 1 286 1 1 1 1 19 LYS HB2 . 19 . HB2 1 1 286 1 2 1 1 27 VAL QG . 27 . HG* 1 1 287 1 1 1 1 19 LYS QG . 19 . HG* 1 1 287 1 2 1 1 27 VAL QG . 27 . HG* 1 1 288 1 1 1 1 20 CYS HA . 20 . HA 1 1 288 1 2 1 1 26 CYS HA . 26 . HA 1 1 289 1 1 1 1 20 CYS HA . 20 . HA 1 1 289 1 2 1 1 27 VAL QG . 27 . HG* 1 1 290 1 1 1 1 21 ASN HA . 21 . HA 1 1 290 1 2 1 1 27 VAL QG . 27 . HG* 1 1 291 1 1 1 1 21 ASN QB . 21 . HB* 1 1 291 1 2 1 1 27 VAL QG . 27 . HG* 1 1 292 1 1 1 1 22 ARG HA . 22 . HA 1 1 292 1 2 1 1 22 ARG HB3 . 22 . HB1 1 1 293 1 1 1 1 22 ARG HA . 22 . HA 1 1 293 1 2 1 1 22 ARG HB2 . 22 . HB2 1 1 294 1 1 1 1 23 PHE HB2 . 23 . HB2 1 1 294 1 2 1 1 25 LYS QD . 25 . HD* 1 1 295 1 1 1 1 7 LYS HA . 7 . HA 1 1 295 1 2 1 1 25 LYS HA . 25 . HA 1 1 296 1 1 1 1 15 CYS HB3 . 15 . HB1 1 1 296 1 2 1 1 26 CYS HA . 26 . HA 1 1 297 1 1 1 1 15 CYS HB2 . 15 . HB2 1 1 297 1 2 1 1 26 CYS HB3 . 26 . HB1 1 1 298 1 1 1 1 26 CYS HA . 26 . HA 1 1 298 1 2 1 1 27 VAL HB . 27 . HB 1 1 299 1 1 1 1 26 CYS HA . 26 . HA 1 1 299 1 2 1 1 27 VAL QG . 27 . HG* 1 1 300 1 1 1 1 19 LYS QB . 19 . HB* 1 1 300 1 2 1 1 27 VAL HB . 27 . HB 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 0.0 0.0 2.7 1 1 2 1 . . . . . 0.0 0.0 4.5 1 1 3 1 . . . . . 0.0 0.0 4.5 1 1 4 1 . . . . . 0.0 0.0 6.0 1 1 5 1 . . . . . 0.0 0.0 6.0 1 1 6 1 . . . . . 0.0 0.0 6.0 1 1 7 1 . . . . . 0.0 0.0 3.5 1 1 8 1 . . . . . 0.0 0.0 6.0 1 1 9 1 . . . . . 0.0 0.0 3.5 1 1 10 1 . . . . . 0.0 0.0 6.0 1 1 11 1 . . . . . 0.0 0.0 7.0 1 1 12 1 . . . . . 0.0 0.0 6.0 1 1 13 1 . . . . . 0.0 0.0 4.5 1 1 14 1 . . . . . 0.0 0.0 3.5 1 1 15 1 . . . . . 0.0 0.0 4.2 1 1 16 1 . . . . . 0.0 0.0 3.7 1 1 17 1 . . . . . 0.0 0.0 4.2 1 1 18 1 . . . . . 0.0 0.0 6.0 1 1 19 1 . . . . . 0.0 0.0 2.7 1 1 20 1 . . . . . 0.0 0.0 6.0 1 1 21 1 . . . . . 0.0 0.0 2.7 1 1 22 1 . . . . . 0.0 0.0 3.5 1 1 23 1 . . . . . 0.0 0.0 3.5 1 1 24 1 . . . . . 0.0 0.0 3.5 1 1 25 1 . . . . . 0.0 0.0 3.5 1 1 26 1 . . . . . 0.0 0.0 4.5 1 1 27 1 . . . . . 0.0 0.0 6.5 1 1 28 1 . . . . . 0.0 0.0 7.0 1 1 29 1 . . . . . 0.0 0.0 7.5 1 1 30 1 . . . . . 0.0 0.0 7.0 1 1 31 1 . . . . . 0.0 0.0 7.5 1 1 32 1 . . . . . 0.0 0.0 3.5 1 1 33 1 . . . . . 0.0 0.0 7.0 1 1 34 1 . . . . . 0.0 0.0 3.5 1 1 35 1 . . . . . 0.0 0.0 3.7 1 1 36 1 . . . . . 0.0 0.0 4.5 1 1 37 1 . . . . . 0.0 0.0 5.0 1 1 38 1 . . . . . 0.0 0.0 3.5 1 1 39 1 . . . . . 0.0 0.0 2.7 1 1 40 1 . . . . . 0.0 0.0 6.0 1 1 41 1 . . . . . 0.0 0.0 4.5 1 1 42 1 . . . . . 0.0 0.0 3.7 1 1 43 1 . . . . . 0.0 0.0 4.5 1 1 44 1 . . . . . 0.0 0.0 5.0 1 1 45 1 . . . . . 0.0 0.0 6.0 1 1 46 1 . . . . . 0.0 0.0 2.7 1 1 47 1 . . . . . 0.0 0.0 4.5 1 1 48 1 . . . . . 0.0 0.0 4.5 1 1 49 1 . . . . . 0.0 0.0 6.0 1 1 50 1 . . . . . 0.0 0.0 5.0 1 1 51 1 . . . . . 0.0 0.0 4.5 1 1 52 1 . . . . . 0.0 0.0 3.5 1 1 53 1 . . . . . 0.0 0.0 3.5 1 1 54 1 . . . . . 0.0 0.0 4.5 1 1 55 1 . . . . . 0.0 0.0 8.5 1 1 56 1 . . . . . 0.0 0.0 10.0 1 1 57 1 . . . . . 0.0 0.0 5.0 1 1 58 1 . . . . . 0.0 0.0 3.5 1 1 59 1 . . . . . 0.0 0.0 4.5 1 1 60 1 . . . . . 0.0 0.0 7.2 1 1 61 1 . . . . . 0.0 0.0 2.7 1 1 62 1 . . . . . 0.0 0.0 3.7 1 1 63 1 . . . . . 0.0 0.0 3.7 1 1 64 1 . . . . . 0.0 0.0 5.0 1 1 65 1 . . . . . 0.0 0.0 6.0 1 1 66 1 . . . . . 0.0 0.0 3.5 1 1 67 1 . . . . . 0.0 0.0 5.0 1 1 68 1 . . . . . 0.0 0.0 6.0 1 1 69 1 . . . . . 0.0 0.0 6.0 1 1 70 1 . . . . . 0.0 0.0 3.5 1 1 71 1 . . . . . 0.0 0.0 4.5 1 1 72 1 . . . . . 0.0 0.0 6.0 1 1 73 1 . . . . . 0.0 0.0 6.0 1 1 74 1 . . . . . 0.0 0.0 5.0 1 1 75 1 . . . . . 0.0 0.0 3.5 1 1 76 1 . . . . . 0.0 0.0 5.0 1 1 77 1 . . . . . 0.0 0.0 5.0 1 1 78 1 . . . . . 0.0 0.0 3.5 1 1 79 1 . . . . . 0.0 0.0 6.0 1 1 80 1 . . . . . 0.0 0.0 3.5 1 1 81 1 . . . . . 0.0 0.0 2.7 1 1 82 1 . . . . . 0.0 0.0 6.0 1 1 83 1 . . . . . 0.0 0.0 3.5 1 1 84 1 . . . . . 0.0 0.0 4.5 1 1 85 1 . . . . . 0.0 0.0 7.5 1 1 86 1 . . . . . 0.0 0.0 5.0 1 1 87 1 . . . . . 0.0 0.0 8.5 1 1 88 1 . . . . . 0.0 0.0 5.0 1 1 89 1 . . . . . 0.0 0.0 6.0 1 1 90 1 . . . . . 0.0 0.0 3.5 1 1 91 1 . . . . . 0.0 0.0 3.5 1 1 92 1 . . . . . 0.0 0.0 6.0 1 1 93 1 . . . . . 0.0 0.0 7.0 1 1 94 1 . . . . . 0.0 0.0 3.5 1 1 95 1 . . . . . 0.0 0.0 6.0 1 1 96 1 . . . . . 0.0 0.0 3.5 1 1 97 1 . . . . . 0.0 0.0 2.7 1 1 98 1 . . . . . 0.0 0.0 6.0 1 1 99 1 . . . . . 0.0 0.0 5.0 1 1 100 1 . . . . . 0.0 0.0 3.5 1 1 101 1 . . . . . 0.0 0.0 7.0 1 1 102 1 . . . . . 0.0 0.0 7.0 1 1 103 1 . . . . . 0.0 0.0 5.0 1 1 104 1 . . . . . 0.0 0.0 3.5 1 1 105 1 . . . . . 0.0 0.0 6.0 1 1 106 1 . . . . . 0.0 0.0 3.5 1 1 107 1 . . . . . 0.0 0.0 5.0 1 1 108 1 . . . . . 0.0 0.0 3.5 1 1 109 1 . . . . . 0.0 0.0 3.5 1 1 110 1 . . . . . 0.0 0.0 3.5 1 1 111 1 . . . . . 0.0 0.0 6.0 1 1 112 1 . . . . . 0.0 0.0 3.5 1 1 113 1 . . . . . 0.0 0.0 3.5 1 1 114 1 . . . . . 0.0 0.0 3.5 1 1 115 1 . . . . . 0.0 0.0 3.5 1 1 116 1 . . . . . 0.0 0.0 3.5 1 1 117 1 . . . . . 0.0 0.0 2.7 1 1 118 1 . . . . . 0.0 0.0 3.5 1 1 119 1 . . . . . 0.0 0.0 2.7 1 1 120 1 . . . . . 0.0 0.0 7.0 1 1 121 1 . . . . . 0.0 0.0 5.0 1 1 122 1 . . . . . 0.0 0.0 7.0 1 1 123 1 . . . . . 0.0 0.0 6.0 1 1 124 1 . . . . . 0.0 0.0 3.5 1 1 125 1 . . . . . 0.0 0.0 3.5 1 1 126 1 . . . . . 0.0 0.0 5.0 1 1 127 1 . . . . . 0.0 0.0 3.5 1 1 128 1 . . . . . 0.0 0.0 2.7 1 1 129 1 . . . . . 0.0 0.0 4.5 1 1 130 1 . . . . . 0.0 0.0 3.5 1 1 131 1 . . . . . 0.0 0.0 3.5 1 1 132 1 . . . . . 0.0 0.0 3.5 1 1 133 1 . . . . . 0.0 0.0 6.0 1 1 134 1 . . . . . 0.0 0.0 5.0 1 1 135 1 . . . . . 0.0 0.0 5.0 1 1 136 1 . . . . . 0.0 0.0 3.5 1 1 137 1 . . . . . 0.0 0.0 7.0 1 1 138 1 . . . . . 0.0 0.0 3.5 1 1 139 1 . . . . . 0.0 0.0 3.5 1 1 140 1 . . . . . 0.0 0.0 4.5 1 1 141 1 . . . . . 0.0 0.0 6.0 1 1 142 1 . . . . . 0.0 0.0 8.5 1 1 143 1 . . . . . 0.0 0.0 2.7 1 1 144 1 . . . . . 0.0 0.0 5.0 1 1 145 1 . . . . . 0.0 0.0 3.5 1 1 146 1 . . . . . 0.0 0.0 5.0 1 1 147 1 . . . . . 0.0 0.0 6.0 1 1 148 1 . . . . . 0.0 0.0 3.5 1 1 149 1 . . . . . 0.0 0.0 2.7 1 1 150 1 . . . . . 0.0 0.0 8.5 1 1 151 1 . . . . . 0.0 0.0 6.0 1 1 152 1 . . . . . 0.0 0.0 2.7 1 1 153 1 . . . . . 0.0 0.0 5.0 1 1 154 1 . . . . . 0.0 0.0 5.0 1 1 155 1 . . . . . 0.0 0.0 6.0 1 1 156 1 . . . . . 0.0 0.0 6.0 1 1 157 1 . . . . . 0.0 0.0 6.0 1 1 158 1 . . . . . 0.0 0.0 6.0 1 1 159 1 . . . . . 0.0 0.0 5.0 1 1 160 1 . . . . . 0.0 0.0 3.5 1 1 161 1 . . . . . 0.0 0.0 6.0 1 1 162 1 . . . . . 0.0 0.0 5.0 1 1 163 1 . . . . . 0.0 0.0 3.5 1 1 164 1 . . . . . 0.0 0.0 3.5 1 1 165 1 . . . . . 0.0 0.0 7.0 1 1 166 1 . . . . . 0.0 0.0 3.5 1 1 167 1 . . . . . 0.0 0.0 5.0 1 1 168 1 . . . . . 0.0 0.0 6.0 1 1 169 1 . . . . . 0.0 0.0 6.0 1 1 170 1 . . . . . 0.0 0.0 6.0 1 1 171 1 . . . . . 0.0 0.0 2.7 1 1 172 1 . . . . . 0.0 0.0 3.7 1 1 173 1 . . . . . 0.0 0.0 5.0 1 1 174 1 . . . . . 0.0 0.0 5.0 1 1 175 1 . . . . . 0.0 0.0 5.0 1 1 176 1 . . . . . 0.0 0.0 2.7 1 1 177 1 . . . . . 0.0 0.0 2.7 1 1 178 1 . . . . . 0.0 0.0 3.5 1 1 179 1 . . . . . 0.0 0.0 6.0 1 1 180 1 . . . . . 0.0 0.0 4.5 1 1 181 1 . . . . . 0.0 0.0 3.5 1 1 182 1 . . . . . 0.0 0.0 8.5 1 1 183 1 . . . . . 0.0 0.0 6.0 1 1 184 1 . . . . . 0.0 0.0 5.0 1 1 185 1 . . . . . 0.0 0.0 8.5 1 1 186 1 . . . . . 0.0 0.0 3.5 1 1 187 1 . . . . . 0.0 0.0 5.0 1 1 188 1 . . . . . 0.0 0.0 5.0 1 1 189 1 . . . . . 0.0 0.0 6.0 1 1 190 1 . . . . . 0.0 0.0 6.0 1 1 191 1 . . . . . 0.0 0.0 7.0 1 1 192 1 . . . . . 0.0 0.0 8.5 1 1 193 1 . . . . . 0.0 0.0 7.5 1 1 194 1 . . . . . 0.0 0.0 8.5 1 1 195 1 . . . . . 0.0 0.0 7.5 1 1 196 1 . . . . . 0.0 0.0 7.5 1 1 197 1 . . . . . 0.0 0.0 7.5 1 1 198 1 . . . . . 0.0 0.0 3.5 1 1 199 1 . . . . . 0.0 0.0 2.7 1 1 200 1 . . . . . 0.0 0.0 5.0 1 1 201 1 . . . . . 0.0 0.0 3.5 1 1 202 1 . . . . . 0.0 0.0 8.5 1 1 203 1 . . . . . 0.0 0.0 11.0 1 1 204 1 . . . . . 0.0 0.0 6.0 1 1 205 1 . . . . . 0.0 0.0 3.5 1 1 206 1 . . . . . 0.0 0.0 5.0 1 1 207 1 . . . . . 0.0 0.0 3.5 1 1 208 1 . . . . . 0.0 0.0 2.7 1 1 209 1 . . . . . 0.0 0.0 6.0 1 1 210 1 . . . . . 0.0 0.0 2.7 1 1 211 1 . . . . . 0.0 0.0 2.7 1 1 212 1 . . . . . 0.0 0.0 7.0 1 1 213 1 . . . . . 0.0 0.0 6.0 1 1 214 1 . . . . . 0.0 0.0 7.0 1 1 215 1 . . . . . 0.0 0.0 5.0 1 1 216 1 . . . . . 0.0 0.0 5.0 1 1 217 1 . . . . . 0.0 0.0 5.0 1 1 218 1 . . . . . 0.0 0.0 2.7 1 1 219 1 . . . . . 0.0 0.0 6.0 1 1 220 1 . . . . . 0.0 0.0 3.5 1 1 221 1 . . . . . 0.0 0.0 2.7 1 1 222 1 . . . . . 0.0 0.0 4.5 1 1 223 1 . . . . . 0.0 0.0 8.5 1 1 224 1 . . . . . 0.0 0.0 5.0 1 1 225 1 . . . . . 0.0 0.0 3.5 1 1 226 1 . . . . . 0.0 0.0 6.0 1 1 227 1 . . . . . 0.0 0.0 3.5 1 1 228 1 . . . . . 0.0 0.0 6.0 1 1 229 1 . . . . . 0.0 0.0 6.0 1 1 230 1 . . . . . 0.0 0.0 5.0 1 1 231 1 . . . . . 0.0 0.0 5.0 1 1 232 1 . . . . . 0.0 0.0 7.0 1 1 233 1 . . . . . 0.0 0.0 2.7 1 1 234 1 . . . . . 0.0 0.0 5.0 1 1 235 1 . . . . . 0.0 0.0 3.5 1 1 236 1 . . . . . 0.0 0.0 5.0 1 1 237 1 . . . . . 0.0 0.0 3.5 1 1 238 1 . . . . . 0.0 0.0 2.7 1 1 239 1 . . . . . 0.0 0.0 5.0 1 1 240 1 . . . . . 0.0 0.0 5.0 1 1 241 1 . . . . . 0.0 0.0 6.0 1 1 242 1 . . . . . 0.0 0.0 5.0 1 1 243 1 . . . . . 0.0 0.0 3.5 1 1 244 1 . . . . . 0.0 0.0 2.7 1 1 245 1 . . . . . 0.0 0.0 3.5 1 1 246 1 . . . . . 0.0 0.0 3.5 1 1 247 1 . . . . . 0.0 0.0 2.7 1 1 248 1 . . . . . 0.0 0.0 7.0 1 1 249 1 . . . . . 0.0 0.0 6.5 1 1 250 1 . . . . . 0.0 0.0 4.5 1 1 251 1 . . . . . 0.0 0.0 2.7 1 1 252 1 . . . . . 0.0 0.0 3.7 1 1 253 1 . . . . . 0.0 0.0 5.0 1 1 254 1 . . . . . 0.0 0.0 4.5 1 1 255 1 . . . . . 0.0 0.0 6.0 1 1 256 1 . . . . . 0.0 0.0 6.0 1 1 257 1 . . . . . 0.0 0.0 5.0 1 1 258 1 . . . . . 0.0 0.0 4.5 1 1 259 1 . . . . . 0.0 0.0 3.7 1 1 260 1 . . . . . 0.0 0.0 3.5 1 1 261 1 . . . . . 0.0 0.0 3.5 1 1 262 1 . . . . . 0.0 0.0 3.5 1 1 263 1 . . . . . 0.0 0.0 5.0 1 1 264 1 . . . . . 0.0 0.0 6.0 1 1 265 1 . . . . . 0.0 0.0 7.0 1 1 266 1 . . . . . 0.0 0.0 6.0 1 1 267 1 . . . . . 0.0 0.0 7.5 1 1 268 1 . . . . . 0.0 0.0 6.0 1 1 269 1 . . . . . 0.0 0.0 7.0 1 1 270 1 . . . . . 0.0 0.0 6.0 1 1 271 1 . . . . . 0.0 0.0 6.0 1 1 272 1 . . . . . 0.0 0.0 7.0 1 1 273 1 . . . . . 0.0 0.0 6.0 1 1 274 1 . . . . . 0.0 0.0 3.5 1 1 275 1 . . . . . 0.0 0.0 7.0 1 1 276 1 . . . . . 0.0 0.0 4.5 1 1 277 1 . . . . . 0.0 0.0 4.5 1 1 278 1 . . . . . 0.0 0.0 2.7 1 1 279 1 . . . . . 0.0 0.0 6.0 1 1 280 1 . . . . . 0.0 0.0 5.0 1 1 281 1 . . . . . 0.0 0.0 5.0 1 1 282 1 . . . . . 0.0 0.0 7.5 1 1 283 1 . . . . . 0.0 0.0 6.0 1 1 284 1 . . . . . 0.0 0.0 8.5 1 1 285 1 . . . . . 0.0 0.0 5.0 1 1 286 1 . . . . . 0.0 0.0 6.0 1 1 287 1 . . . . . 0.0 0.0 7.5 1 1 288 1 . . . . . 0.0 0.0 3.5 1 1 289 1 . . . . . 0.0 0.0 7.5 1 1 290 1 . . . . . 0.0 0.0 6.0 1 1 291 1 . . . . . 0.0 0.0 7.5 1 1 292 1 . . . . . 0.0 0.0 2.7 1 1 293 1 . . . . . 0.0 0.0 2.7 1 1 294 1 . . . . . 0.0 0.0 7.0 1 1 295 1 . . . . . 0.0 0.0 2.7 1 1 296 1 . . . . . 0.0 0.0 6.0 1 1 297 1 . . . . . 0.0 0.0 6.0 1 1 298 1 . . . . . 0.0 0.0 6.0 1 1 299 1 . . . . . 0.0 0.0 7.5 1 1 300 1 . . . . . 0.0 0.0 4.5 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_5_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 2 2 1 . . . 1 2 3 1 . . . 1 2 4 1 . . . 1 2 5 1 . . . 1 2 6 1 . . . 1 2 7 1 . . . 1 2 8 1 . . . 1 2 9 1 . . . 1 2 10 1 . . . 1 2 11 1 . . . 1 2 12 1 . . . 1 2 13 1 . . . 1 2 14 1 . . . 1 2 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 3 ILE O . 3 . O 1 2 1 1 2 1 1 6 GLN H . 6 . HN 1 2 2 1 1 1 1 3 ILE O . 3 . O 1 2 2 1 2 1 1 6 GLN N . 6 . N 1 2 3 1 1 1 1 8 CYS H . 8 . HN 1 2 3 1 2 1 1 24 ASN O . 24 . O 1 2 4 1 1 1 1 8 CYS N . 8 . N 1 2 4 1 2 1 1 24 ASN O . 24 . O 1 2 5 1 1 1 1 2 ARG O . 2 . O 1 2 5 1 2 1 1 16 CYS H . 16 . HN 1 2 6 1 1 1 1 2 ARG O . 2 . O 1 2 6 1 2 1 1 16 CYS N . 16 . N 1 2 7 1 1 1 1 21 ASN H . 21 . HN 1 2 7 1 2 1 1 25 LYS O . 25 . O 1 2 8 1 1 1 1 21 ASN N . 21 . N 1 2 8 1 2 1 1 25 LYS O . 25 . O 1 2 9 1 1 1 1 21 ASN O . 21 . O 1 2 9 1 2 1 1 24 ASN H . 24 . HN 1 2 10 1 1 1 1 21 ASN O . 21 . O 1 2 10 1 2 1 1 24 ASN N . 24 . N 1 2 11 1 1 1 1 6 GLN O . 6 . O 1 2 11 1 2 1 1 26 CYS H . 26 . HN 1 2 12 1 1 1 1 6 GLN O . 6 . O 1 2 12 1 2 1 1 26 CYS N . 26 . N 1 2 13 1 1 1 1 19 LYS O . 19 . O 1 2 13 1 2 1 1 27 VAL H . 27 . HN 1 2 14 1 1 1 1 19 LYS O . 19 . O 1 2 14 1 2 1 1 27 VAL N . 27 . N 1 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 1.88 1.58 2.3 1 2 2 1 . . . . . 1.88 1.58 3.2 1 2 3 1 . . . . . 1.88 1.58 2.3 1 2 4 1 . . . . . 1.88 1.58 3.2 1 2 5 1 . . . . . 1.88 1.58 2.3 1 2 6 1 . . . . . 1.88 1.58 3.2 1 2 7 1 . . . . . 1.88 1.58 2.3 1 2 8 1 . . . . . 1.88 1.58 3.2 1 2 9 1 . . . . . 1.88 1.58 2.3 1 2 10 1 . . . . . 1.88 1.58 3.2 1 2 11 1 . . . . . 1.88 1.58 2.3 1 2 12 1 . . . . . 1.88 1.58 3.2 1 2 13 1 . . . . . 1.88 1.58 2.3 1 2 14 1 . . . . . 1.88 1.58 3.2 1 2 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 1 CYS C 1 1 2 ARG N 1 1 2 ARG CA 1 1 2 ARG C -179.99998 -20.0 . 1 . C . 2 . N . 2 . CA . 2 . C 1 1 2 . 1 1 2 ARG C 1 1 3 ILE N 1 1 3 ILE CA 1 1 3 ILE C -179.99998 -20.0 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1 3 . 1 1 4 HYP C 1 1 5 ASN N 1 1 5 ASN CA 1 1 5 ASN C 20.0 100.0 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1 4 . 1 1 6 GLN C 1 1 7 LYS N 1 1 7 LYS CA 1 1 7 LYS C -179.99998 -20.0 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1 5 . 1 1 7 LYS C 1 1 8 CYS N 1 1 8 CYS CA 1 1 8 CYS C -140.0 -100.0 . 7 . C . 8 . N . 8 . CA . 8 . C 1 1 6 . 1 1 8 CYS C 1 1 9 PHE N 1 1 9 PHE CA 1 1 9 PHE C -150.0 -89.99999 . 8 . C . 9 . N . 9 . CA . 9 . C 1 1 7 . 1 1 9 PHE C 1 1 10 GLN N 1 1 10 GLN CA 1 1 10 GLN C -89.99999 -30.0 . 9 . C . 10 . N . 10 . CA . 10 . C 1 1 8 . 1 1 10 GLN C 1 1 11 HIS N 1 1 11 HIS CA 1 1 11 HIS C -179.99998 -20.0 . 10 . C . 11 . N . 11 . CA . 11 . C 1 1 9 . 1 1 11 HIS C 1 1 12 LEU N 1 1 12 LEU CA 1 1 12 LEU C -150.0 -89.99999 . 11 . C . 12 . N . 12 . CA . 12 . C 1 1 10 . 1 1 12 LEU C 1 1 13 ASP N 1 1 13 ASP CA 1 1 13 ASP C -100.0 -20.0 . 12 . C . 13 . N . 13 . CA . 13 . C 1 1 11 . 1 1 13 ASP C 1 1 14 ASP N 1 1 14 ASP CA 1 1 14 ASP C -150.0 -89.99999 . 13 . C . 14 . N . 14 . CA . 14 . C 1 1 12 . 1 1 14 ASP C 1 1 15 CYS N 1 1 15 CYS CA 1 1 15 CYS C -89.99999 -30.0 . 14 . C . 15 . N . 15 . CA . 15 . C 1 1 13 . 1 1 15 CYS C 1 1 16 CYS N 1 1 16 CYS CA 1 1 16 CYS C -89.99999 -30.0 . 15 . C . 16 . N . 16 . CA . 16 . C 1 1 14 . 1 1 16 CYS C 1 1 17 SER N 1 1 17 SER CA 1 1 17 SER C -89.99999 -30.0 . 16 . C . 17 . N . 17 . CA . 17 . C 1 1 15 . 1 1 17 SER C 1 1 18 ARG N 1 1 18 ARG CA 1 1 18 ARG C 20.0 100.0 . 17 . C . 18 . N . 18 . CA . 18 . C 1 1 16 . 1 1 18 ARG C 1 1 19 LYS N 1 1 19 LYS CA 1 1 19 LYS C -150.0 -89.99999 . 18 . C . 19 . N . 19 . CA . 19 . C 1 1 17 . 1 1 19 LYS C 1 1 20 CYS N 1 1 20 CYS CA 1 1 20 CYS C -150.0 -89.99999 . 19 . C . 20 . N . 20 . CA . 20 . C 1 1 18 . 1 1 20 CYS C 1 1 21 ASN N 1 1 21 ASN CA 1 1 21 ASN C -179.99998 -20.0 . 20 . C . 21 . N . 21 . CA . 21 . C 1 1 19 . 1 1 22 ARG C 1 1 23 PHE N 1 1 23 PHE CA 1 1 23 PHE C -150.0 -89.99999 . 22 . C . 23 . N . 23 . CA . 23 . C 1 1 20 . 1 1 24 ASN C 1 1 25 LYS N 1 1 25 LYS CA 1 1 25 LYS C -150.0 -89.99999 . 24 . C . 25 . N . 25 . CA . 25 . C 1 1 21 . 1 1 25 LYS C 1 1 26 CYS N 1 1 26 CYS CA 1 1 26 CYS C -89.99999 -30.0 . 25 . C . 26 . N . 26 . CA . 26 . C 1 1 22 . 1 1 27 VAL N 1 1 27 VAL CA 1 1 27 VAL CB 1 1 27 VAL CG1 150.0 210.0 . 27 . N . 27 . CA . 27 . CB . 27 . CG1 1 1 23 . 1 1 1 CYS N 1 1 1 CYS CA 1 1 1 CYS CB 1 1 1 CYS SG 20.0 100.0 . 1 . N . 1 . CA . 1 . CB . 1 . SG 1 1 24 . 1 1 5 ASN N 1 1 5 ASN CA 1 1 5 ASN CB 1 1 5 ASN CG 20.0 100.0 . 5 . N . 5 . CA . 5 . CB . 5 . CG 1 1 25 . 1 1 14 ASP N 1 1 14 ASP CA 1 1 14 ASP CB 1 1 14 ASP CG 30.0 89.99999 . 14 . N . 14 . CA . 14 . CB . 14 . CG 1 1 26 . 1 1 17 SER N 1 1 17 SER CA 1 1 17 SER CB 1 1 17 SER OG 30.0 89.99999 . 17 . N . 17 . CA . 17 . CB . 17 . OG 1 1 27 . 1 1 21 ASN N 1 1 21 ASN CA 1 1 21 ASN CB 1 1 21 ASN CG 20.0 100.0 . 21 . N . 21 . CA . 21 . CB . 21 . CG 1 1 28 . 1 1 22 ARG N 1 1 22 ARG CA 1 1 22 ARG CB 1 1 22 ARG CG 30.0 89.99999 . 22 . N . 22 . CA . 22 . CB . 22 . CG 1 1 29 . 1 1 15 CYS N 1 1 15 CYS CA 1 1 15 CYS CB 1 1 15 CYS SG -89.99999 -30.0 . 15 . N . 15 . CA . 15 . CB . 15 . SG 1 1 30 . 1 1 19 LYS N 1 1 19 LYS CA 1 1 19 LYS CB 1 1 19 LYS CG -89.99999 -30.0 . 19 . N . 19 . CA . 19 . CB . 19 . CG 1 1 31 . 1 1 20 CYS N 1 1 20 CYS CA 1 1 20 CYS CB 1 1 20 CYS SG -89.99999 -30.0 . 20 . N . 20 . CA . 20 . CB . 20 . SG 1 1 32 . 1 1 23 PHE N 1 1 23 PHE CA 1 1 23 PHE CB 1 1 23 PHE CG -89.99999 -30.0 . 23 . N . 23 . CA . 23 . CB . 23 . CG 1 1 33 . 1 1 25 LYS N 1 1 25 LYS CA 1 1 25 LYS CB 1 1 25 LYS CG -89.99999 -30.0 . 25 . N . 25 . CA . 25 . CB . 25 . CG 1 1 34 . 1 1 26 CYS N 1 1 26 CYS CA 1 1 26 CYS CB 1 1 26 CYS SG -89.99999 -30.0 . 26 . N . 26 . CA . 26 . CB . 26 . SG 1 1 35 . 1 1 16 CYS N 1 1 16 CYS CA 1 1 16 CYS CB 1 1 16 CYS SG 150.0 210.0 . 16 . N . 16 . CA . 16 . CB . 16 . SG 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 CYS C C -1.818 10.331 -4.598 1.00 . A A . 1 CYS C 1 1 1 2 1 1 1 CYS CA C -1.234 11.482 -3.757 1.00 . A A . 1 CYS CA 1 1 1 3 1 1 1 CYS CB C -2.298 12.135 -2.829 1.00 . A A . 1 CYS CB 1 1 1 4 1 1 1 CYS H1 H -1.548 12.793 -5.340 1.00 . A A . 1 CYS H1 1 1 1 5 1 1 1 CYS H2 H -0.406 13.337 -4.206 1.00 . A A . 1 CYS H2 1 1 1 6 1 1 1 CYS H3 H 0.003 12.108 -5.306 1.00 . A A . 1 CYS H3 1 1 1 7 1 1 1 CYS HA H -0.389 11.122 -3.186 1.00 . A A . 1 CYS HA 1 1 1 8 1 1 1 CYS HB2 H -2.082 11.820 -1.821 1.00 . A A . 1 CYS HB2 1 1 1 9 1 1 1 CYS HB3 H -2.148 13.206 -2.851 1.00 . A A . 1 CYS HB3 1 1 1 10 1 1 1 CYS N N -0.760 12.508 -4.725 1.00 . A A . 1 CYS N 1 1 1 11 1 1 1 CYS O O -2.720 10.537 -5.388 1.00 . A A . 1 CYS O 1 1 1 12 1 1 1 CYS SG S -4.065 11.856 -3.112 1.00 . A A . 1 CYS SG 1 1 1 13 1 1 2 ARG C C -3.085 7.417 -4.609 1.00 . A A . 2 ARG C 1 1 1 14 1 1 2 ARG CA C -1.754 7.945 -5.162 1.00 . A A . 2 ARG CA 1 1 1 15 1 1 2 ARG CB C -0.641 6.874 -5.068 1.00 . A A . 2 ARG CB 1 1 1 16 1 1 2 ARG CD C 0.067 5.588 -7.165 1.00 . A A . 2 ARG CD 1 1 1 17 1 1 2 ARG CG C -0.931 5.644 -5.977 1.00 . A A . 2 ARG CG 1 1 1 18 1 1 2 ARG CZ C 1.645 3.821 -6.632 1.00 . A A . 2 ARG CZ 1 1 1 19 1 1 2 ARG H H -0.565 9.048 -3.742 1.00 . A A . 2 ARG H 1 1 1 20 1 1 2 ARG HA H -1.891 8.224 -6.197 1.00 . A A . 2 ARG HA 1 1 1 21 1 1 2 ARG HB2 H 0.296 7.339 -5.340 1.00 . A A . 2 ARG HB2 1 1 1 22 1 1 2 ARG HB3 H -0.551 6.530 -4.052 1.00 . A A . 2 ARG HB3 1 1 1 23 1 1 2 ARG HD2 H -0.442 5.852 -8.080 1.00 . A A . 2 ARG HD2 1 1 1 24 1 1 2 ARG HD3 H 0.899 6.261 -7.025 1.00 . A A . 2 ARG HD3 1 1 1 25 1 1 2 ARG HE H 0.138 3.555 -7.898 1.00 . A A . 2 ARG HE 1 1 1 26 1 1 2 ARG HG2 H -0.838 4.748 -5.382 1.00 . A A . 2 ARG HG2 1 1 1 27 1 1 2 ARG HG3 H -1.938 5.684 -6.366 1.00 . A A . 2 ARG HG3 1 1 1 28 1 1 2 ARG HH11 H 2.885 4.985 -7.687 1.00 . A A . 2 ARG HH11 1 1 1 29 1 1 2 ARG HH12 H 3.622 4.047 -6.429 1.00 . A A . 2 ARG HH12 1 1 1 30 1 1 2 ARG HH21 H 0.598 2.588 -5.458 1.00 . A A . 2 ARG HH21 1 1 1 31 1 1 2 ARG HH22 H 2.300 2.663 -5.140 1.00 . A A . 2 ARG HH22 1 1 1 32 1 1 2 ARG N N -1.283 9.149 -4.402 1.00 . A A . 2 ARG N 1 1 1 33 1 1 2 ARG NE N 0.588 4.192 -7.304 1.00 . A A . 2 ARG NE 1 1 1 34 1 1 2 ARG NH1 N 2.807 4.324 -6.940 1.00 . A A . 2 ARG NH1 1 1 1 35 1 1 2 ARG NH2 N 1.502 2.957 -5.668 1.00 . A A . 2 ARG NH2 1 1 1 36 1 1 2 ARG O O -3.255 7.276 -3.416 1.00 . A A . 2 ARG O 1 1 1 37 1 1 3 ILE C C -5.286 5.283 -4.370 1.00 . A A . 3 ILE C 1 1 1 38 1 1 3 ILE CA C -5.343 6.620 -5.150 1.00 . A A . 3 ILE CA 1 1 1 39 1 1 3 ILE CB C -6.149 6.453 -6.466 1.00 . A A . 3 ILE CB 1 1 1 40 1 1 3 ILE CD1 C -6.228 5.297 -8.739 1.00 . A A . 3 ILE CD1 1 1 1 41 1 1 3 ILE CG1 C -5.421 5.470 -7.438 1.00 . A A . 3 ILE CG1 1 1 1 42 1 1 3 ILE CG2 C -6.316 7.846 -7.127 1.00 . A A . 3 ILE CG2 1 1 1 43 1 1 3 ILE H H -3.793 7.272 -6.464 1.00 . A A . 3 ILE H 1 1 1 44 1 1 3 ILE HA H -5.820 7.367 -4.533 1.00 . A A . 3 ILE HA 1 1 1 45 1 1 3 ILE HB H -7.122 6.059 -6.234 1.00 . A A . 3 ILE HB 1 1 1 46 1 1 3 ILE HD11 H -7.263 5.087 -8.513 1.00 . A A . 3 ILE HD11 1 1 1 47 1 1 3 ILE HD12 H -6.170 6.195 -9.337 1.00 . A A . 3 ILE HD12 1 1 1 48 1 1 3 ILE HD13 H -5.828 4.476 -9.316 1.00 . A A . 3 ILE HD13 1 1 1 49 1 1 3 ILE HG12 H -4.430 5.832 -7.676 1.00 . A A . 3 ILE HG12 1 1 1 50 1 1 3 ILE HG13 H -5.326 4.505 -6.965 1.00 . A A . 3 ILE HG13 1 1 1 51 1 1 3 ILE HG21 H -6.615 8.576 -6.390 1.00 . A A . 3 ILE HG21 1 1 1 52 1 1 3 ILE HG22 H -5.387 8.166 -7.575 1.00 . A A . 3 ILE HG22 1 1 1 53 1 1 3 ILE HG23 H -7.076 7.806 -7.894 1.00 . A A . 3 ILE HG23 1 1 1 54 1 1 3 ILE N N -3.991 7.140 -5.514 1.00 . A A . 3 ILE N 1 1 1 55 1 1 3 ILE O O -4.298 4.578 -4.454 1.00 . A A . 3 ILE O 1 1 1 56 1 1 4 HYP C C -6.367 2.457 -4.031 1.00 . A A . 4 HYP C 1 1 1 57 1 1 4 HYP CA C -6.529 3.618 -3.034 1.00 . A A . 4 HYP CA 1 1 1 58 1 1 4 HYP CB C -7.931 3.632 -2.416 1.00 . A A . 4 HYP CB 1 1 1 59 1 1 4 HYP CD C -7.437 5.915 -3.298 1.00 . A A . 4 HYP CD 1 1 1 60 1 1 4 HYP CG C -8.342 5.123 -2.332 1.00 . A A . 4 HYP CG 1 1 1 61 1 1 4 HYP HA H -5.808 3.495 -2.241 1.00 . A A . 4 HYP HA 1 1 1 62 1 1 4 HYP HB2 H -7.919 3.165 -1.444 1.00 . A A . 4 HYP HB2 1 1 1 63 1 1 4 HYP HB3 H -8.631 3.104 -3.045 1.00 . A A . 4 HYP HB3 1 1 1 64 1 1 4 HYP HD1 H -7.053 5.201 -0.869 1.00 . A A . 4 HYP HD1 1 1 1 65 1 1 4 HYP HD22 H -7.031 6.803 -2.834 1.00 . A A . 4 HYP HD22 1 1 1 66 1 1 4 HYP HD23 H -7.976 6.177 -4.196 1.00 . A A . 4 HYP HD23 1 1 1 67 1 1 4 HYP HG H -9.399 5.296 -2.480 1.00 . A A . 4 HYP HG 1 1 1 68 1 1 4 HYP N N -6.334 4.970 -3.633 1.00 . A A . 4 HYP N 1 1 1 69 1 1 4 HYP O O -6.352 2.662 -5.229 1.00 . A A . 4 HYP O 1 1 1 70 1 1 4 HYP OD1 O -7.939 5.537 -1.032 1.00 . A A . 4 HYP OD1 1 1 1 71 1 1 5 ASN C C -4.997 -0.023 -5.303 1.00 . A A . 5 ASN C 1 1 1 72 1 1 5 ASN CA C -6.082 -0.015 -4.206 1.00 . A A . 5 ASN CA 1 1 1 73 1 1 5 ASN CB C -7.470 -0.410 -4.812 1.00 . A A . 5 ASN CB 1 1 1 74 1 1 5 ASN CG C -7.866 0.478 -6.001 1.00 . A A . 5 ASN CG 1 1 1 75 1 1 5 ASN H H -6.269 1.242 -2.485 1.00 . A A . 5 ASN H 1 1 1 76 1 1 5 ASN HA H -5.820 -0.770 -3.480 1.00 . A A . 5 ASN HA 1 1 1 77 1 1 5 ASN HB2 H -7.443 -1.436 -5.147 1.00 . A A . 5 ASN HB2 1 1 1 78 1 1 5 ASN HB3 H -8.231 -0.326 -4.050 1.00 . A A . 5 ASN HB3 1 1 1 79 1 1 5 ASN HD21 H -9.215 1.486 -4.952 1.00 . A A . 5 ASN HD21 1 1 1 80 1 1 5 ASN HD22 H -9.055 1.960 -6.574 1.00 . A A . 5 ASN HD22 1 1 1 81 1 1 5 ASN N N -6.249 1.280 -3.463 1.00 . A A . 5 ASN N 1 1 1 82 1 1 5 ASN ND2 N -8.789 1.383 -5.827 1.00 . A A . 5 ASN ND2 1 1 1 83 1 1 5 ASN O O -4.919 -0.953 -6.083 1.00 . A A . 5 ASN O 1 1 1 84 1 1 5 ASN OD1 O -7.341 0.358 -7.089 1.00 . A A . 5 ASN OD1 1 1 1 85 1 1 6 GLN C C -1.872 0.379 -5.809 1.00 . A A . 6 GLN C 1 1 1 86 1 1 6 GLN CA C -3.100 1.116 -6.344 1.00 . A A . 6 GLN CA 1 1 1 87 1 1 6 GLN CB C -2.791 2.610 -6.573 1.00 . A A . 6 GLN CB 1 1 1 88 1 1 6 GLN CD C -3.450 2.653 -9.032 1.00 . A A . 6 GLN CD 1 1 1 89 1 1 6 GLN CG C -2.306 2.834 -8.016 1.00 . A A . 6 GLN CG 1 1 1 90 1 1 6 GLN H H -4.297 1.730 -4.680 1.00 . A A . 6 GLN H 1 1 1 91 1 1 6 GLN HA H -3.425 0.642 -7.261 1.00 . A A . 6 GLN HA 1 1 1 92 1 1 6 GLN HB2 H -3.678 3.200 -6.406 1.00 . A A . 6 GLN HB2 1 1 1 93 1 1 6 GLN HB3 H -2.032 2.945 -5.883 1.00 . A A . 6 GLN HB3 1 1 1 94 1 1 6 GLN HE21 H -2.274 3.025 -10.589 1.00 . A A . 6 GLN HE21 1 1 1 95 1 1 6 GLN HE22 H -3.896 2.696 -10.965 1.00 . A A . 6 GLN HE22 1 1 1 96 1 1 6 GLN HG2 H -1.928 3.840 -8.107 1.00 . A A . 6 GLN HG2 1 1 1 97 1 1 6 GLN HG3 H -1.514 2.138 -8.253 1.00 . A A . 6 GLN HG3 1 1 1 98 1 1 6 GLN N N -4.191 1.008 -5.332 1.00 . A A . 6 GLN N 1 1 1 99 1 1 6 GLN NE2 N -3.184 2.804 -10.301 1.00 . A A . 6 GLN NE2 1 1 1 100 1 1 6 GLN O O -1.453 0.623 -4.693 1.00 . A A . 6 GLN O 1 1 1 101 1 1 6 GLN OE1 O -4.585 2.377 -8.695 1.00 . A A . 6 GLN OE1 1 1 1 102 1 1 7 LYS C C 0.978 -0.424 -5.621 1.00 . A A . 7 LYS C 1 1 1 103 1 1 7 LYS CA C -0.134 -1.294 -6.233 1.00 . A A . 7 LYS CA 1 1 1 104 1 1 7 LYS CB C 0.402 -2.038 -7.491 1.00 . A A . 7 LYS CB 1 1 1 105 1 1 7 LYS CD C 2.057 -3.545 -6.234 1.00 . A A . 7 LYS CD 1 1 1 106 1 1 7 LYS CE C 3.326 -3.417 -7.098 1.00 . A A . 7 LYS CE 1 1 1 107 1 1 7 LYS CG C 0.782 -3.500 -7.124 1.00 . A A . 7 LYS CG 1 1 1 108 1 1 7 LYS H H -1.736 -0.628 -7.510 1.00 . A A . 7 LYS H 1 1 1 109 1 1 7 LYS HA H -0.450 -2.018 -5.500 1.00 . A A . 7 LYS HA 1 1 1 110 1 1 7 LYS HB2 H -0.367 -2.063 -8.251 1.00 . A A . 7 LYS HB2 1 1 1 111 1 1 7 LYS HB3 H 1.259 -1.529 -7.905 1.00 . A A . 7 LYS HB3 1 1 1 112 1 1 7 LYS HD2 H 2.046 -2.753 -5.502 1.00 . A A . 7 LYS HD2 1 1 1 113 1 1 7 LYS HD3 H 2.079 -4.486 -5.702 1.00 . A A . 7 LYS HD3 1 1 1 114 1 1 7 LYS HE2 H 3.206 -2.663 -7.861 1.00 . A A . 7 LYS HE2 1 1 1 115 1 1 7 LYS HE3 H 4.168 -3.149 -6.474 1.00 . A A . 7 LYS HE3 1 1 1 116 1 1 7 LYS HG2 H -0.036 -3.964 -6.594 1.00 . A A . 7 LYS HG2 1 1 1 117 1 1 7 LYS HG3 H 0.948 -4.061 -8.033 1.00 . A A . 7 LYS HG3 1 1 1 118 1 1 7 LYS HZ1 H 3.770 -5.445 -7.025 1.00 . A A . 7 LYS HZ1 1 1 1 119 1 1 7 LYS HZ2 H 2.829 -4.993 -8.364 1.00 . A A . 7 LYS HZ2 1 1 1 120 1 1 7 LYS HZ3 H 4.487 -4.628 -8.329 1.00 . A A . 7 LYS HZ3 1 1 1 121 1 1 7 LYS N N -1.338 -0.495 -6.625 1.00 . A A . 7 LYS N 1 1 1 122 1 1 7 LYS NZ N 3.626 -4.719 -7.754 1.00 . A A . 7 LYS NZ 1 1 1 123 1 1 7 LYS O O 1.688 0.277 -6.315 1.00 . A A . 7 LYS O 1 1 1 124 1 1 8 CYS C C 2.797 -0.661 -2.554 1.00 . A A . 8 CYS C 1 1 1 125 1 1 8 CYS CA C 2.089 0.257 -3.546 1.00 . A A . 8 CYS CA 1 1 1 126 1 1 8 CYS CB C 1.391 1.390 -2.794 1.00 . A A . 8 CYS CB 1 1 1 127 1 1 8 CYS H H 0.452 -1.101 -3.835 1.00 . A A . 8 CYS H 1 1 1 128 1 1 8 CYS HA H 2.825 0.666 -4.224 1.00 . A A . 8 CYS HA 1 1 1 129 1 1 8 CYS HB2 H 2.142 1.963 -2.269 1.00 . A A . 8 CYS HB2 1 1 1 130 1 1 8 CYS HB3 H 0.944 2.045 -3.523 1.00 . A A . 8 CYS HB3 1 1 1 131 1 1 8 CYS N N 1.069 -0.513 -4.317 1.00 . A A . 8 CYS N 1 1 1 132 1 1 8 CYS O O 2.199 -1.562 -1.996 1.00 . A A . 8 CYS O 1 1 1 133 1 1 8 CYS SG S 0.084 0.983 -1.608 1.00 . A A . 8 CYS SG 1 1 1 134 1 1 9 PHE C C 4.794 -0.573 -0.043 1.00 . A A . 9 PHE C 1 1 1 135 1 1 9 PHE CA C 4.891 -1.197 -1.432 1.00 . A A . 9 PHE CA 1 1 1 136 1 1 9 PHE CB C 6.361 -1.194 -1.914 1.00 . A A . 9 PHE CB 1 1 1 137 1 1 9 PHE CD1 C 6.650 -3.256 -3.357 1.00 . A A . 9 PHE CD1 1 1 1 138 1 1 9 PHE CD2 C 7.472 -3.330 -1.118 1.00 . A A . 9 PHE CD2 1 1 1 139 1 1 9 PHE CE1 C 7.081 -4.550 -3.559 1.00 . A A . 9 PHE CE1 1 1 1 140 1 1 9 PHE CE2 C 7.905 -4.626 -1.320 1.00 . A A . 9 PHE CE2 1 1 1 141 1 1 9 PHE CG C 6.842 -2.636 -2.135 1.00 . A A . 9 PHE CG 1 1 1 142 1 1 9 PHE CZ C 7.710 -5.236 -2.541 1.00 . A A . 9 PHE CZ 1 1 1 143 1 1 9 PHE H H 4.473 0.356 -2.858 1.00 . A A . 9 PHE H 1 1 1 144 1 1 9 PHE HA H 4.502 -2.205 -1.393 1.00 . A A . 9 PHE HA 1 1 1 145 1 1 9 PHE HB2 H 6.449 -0.652 -2.844 1.00 . A A . 9 PHE HB2 1 1 1 146 1 1 9 PHE HB3 H 7.004 -0.726 -1.183 1.00 . A A . 9 PHE HB3 1 1 1 147 1 1 9 PHE HD1 H 6.159 -2.726 -4.159 1.00 . A A . 9 PHE HD1 1 1 1 148 1 1 9 PHE HD2 H 7.629 -2.860 -0.158 1.00 . A A . 9 PHE HD2 1 1 1 149 1 1 9 PHE HE1 H 6.928 -5.027 -4.517 1.00 . A A . 9 PHE HE1 1 1 1 150 1 1 9 PHE HE2 H 8.396 -5.162 -0.521 1.00 . A A . 9 PHE HE2 1 1 1 151 1 1 9 PHE HZ H 8.048 -6.249 -2.701 1.00 . A A . 9 PHE HZ 1 1 1 152 1 1 9 PHE N N 4.063 -0.388 -2.371 1.00 . A A . 9 PHE N 1 1 1 153 1 1 9 PHE O O 4.859 0.633 0.107 1.00 . A A . 9 PHE O 1 1 1 154 1 1 10 GLN C C 5.750 -0.168 2.747 1.00 . A A . 10 GLN C 1 1 1 155 1 1 10 GLN CA C 4.525 -1.003 2.347 1.00 . A A . 10 GLN CA 1 1 1 156 1 1 10 GLN CB C 4.418 -2.261 3.230 1.00 . A A . 10 GLN CB 1 1 1 157 1 1 10 GLN CD C 2.523 -3.853 3.838 1.00 . A A . 10 GLN CD 1 1 1 158 1 1 10 GLN CG C 3.282 -3.178 2.688 1.00 . A A . 10 GLN CG 1 1 1 159 1 1 10 GLN H H 4.585 -2.385 0.725 1.00 . A A . 10 GLN H 1 1 1 160 1 1 10 GLN HA H 3.635 -0.408 2.436 1.00 . A A . 10 GLN HA 1 1 1 161 1 1 10 GLN HB2 H 5.356 -2.800 3.207 1.00 . A A . 10 GLN HB2 1 1 1 162 1 1 10 GLN HB3 H 4.224 -1.964 4.251 1.00 . A A . 10 GLN HB3 1 1 1 163 1 1 10 GLN HE21 H 0.749 -3.514 3.014 1.00 . A A . 10 GLN HE21 1 1 1 164 1 1 10 GLN HE22 H 0.709 -4.328 4.502 1.00 . A A . 10 GLN HE22 1 1 1 165 1 1 10 GLN HG2 H 2.574 -2.608 2.102 1.00 . A A . 10 GLN HG2 1 1 1 166 1 1 10 GLN HG3 H 3.704 -3.949 2.061 1.00 . A A . 10 GLN HG3 1 1 1 167 1 1 10 GLN N N 4.636 -1.433 0.926 1.00 . A A . 10 GLN N 1 1 1 168 1 1 10 GLN NE2 N 1.219 -3.904 3.781 1.00 . A A . 10 GLN NE2 1 1 1 169 1 1 10 GLN O O 5.662 0.713 3.581 1.00 . A A . 10 GLN O 1 1 1 170 1 1 10 GLN OE1 O 3.101 -4.339 4.790 1.00 . A A . 10 GLN OE1 1 1 1 171 1 1 11 HIS C C 8.063 1.668 1.883 1.00 . A A . 11 HIS C 1 1 1 172 1 1 11 HIS CA C 8.139 0.222 2.389 1.00 . A A . 11 HIS CA 1 1 1 173 1 1 11 HIS CB C 9.278 -0.528 1.677 1.00 . A A . 11 HIS CB 1 1 1 174 1 1 11 HIS CD2 C 11.186 -1.241 3.356 1.00 . A A . 11 HIS CD2 1 1 1 175 1 1 11 HIS CE1 C 12.310 0.501 3.308 1.00 . A A . 11 HIS CE1 1 1 1 176 1 1 11 HIS CG C 10.560 -0.361 2.494 1.00 . A A . 11 HIS CG 1 1 1 177 1 1 11 HIS H H 6.836 -1.213 1.459 1.00 . A A . 11 HIS H 1 1 1 178 1 1 11 HIS HA H 8.306 0.234 3.458 1.00 . A A . 11 HIS HA 1 1 1 179 1 1 11 HIS HB2 H 9.048 -1.582 1.604 1.00 . A A . 11 HIS HB2 1 1 1 180 1 1 11 HIS HB3 H 9.443 -0.139 0.683 1.00 . A A . 11 HIS HB3 1 1 1 181 1 1 11 HIS HD1 H 11.138 1.512 2.001 1.00 . A A . 11 HIS HD1 1 1 1 182 1 1 11 HIS HD2 H 10.823 -2.232 3.582 1.00 . A A . 11 HIS HD2 1 1 1 183 1 1 11 HIS HE1 H 13.079 1.234 3.498 1.00 . A A . 11 HIS HE1 1 1 1 184 1 1 11 HIS N N 6.855 -0.490 2.120 1.00 . A A . 11 HIS N 1 1 1 185 1 1 11 HIS ND1 N 11.305 0.694 2.511 1.00 . A A . 11 HIS ND1 1 1 1 186 1 1 11 HIS NE2 N 12.276 -0.689 3.855 1.00 . A A . 11 HIS NE2 1 1 1 187 1 1 11 HIS O O 8.613 2.564 2.492 1.00 . A A . 11 HIS O 1 1 1 188 1 1 12 LEU C C 5.726 3.444 -0.144 1.00 . A A . 12 LEU C 1 1 1 189 1 1 12 LEU CA C 7.212 3.185 0.158 1.00 . A A . 12 LEU CA 1 1 1 190 1 1 12 LEU CB C 8.074 3.237 -1.137 1.00 . A A . 12 LEU CB 1 1 1 191 1 1 12 LEU CD1 C 7.340 2.686 -3.513 1.00 . A A . 12 LEU CD1 1 1 1 192 1 1 12 LEU CD2 C 8.883 1.119 -2.299 1.00 . A A . 12 LEU CD2 1 1 1 193 1 1 12 LEU CG C 7.692 2.087 -2.132 1.00 . A A . 12 LEU CG 1 1 1 194 1 1 12 LEU H H 6.967 1.056 0.349 1.00 . A A . 12 LEU H 1 1 1 195 1 1 12 LEU HA H 7.553 3.946 0.845 1.00 . A A . 12 LEU HA 1 1 1 196 1 1 12 LEU HB2 H 7.939 4.202 -1.604 1.00 . A A . 12 LEU HB2 1 1 1 197 1 1 12 LEU HB3 H 9.114 3.156 -0.854 1.00 . A A . 12 LEU HB3 1 1 1 198 1 1 12 LEU HD11 H 6.558 3.423 -3.418 1.00 . A A . 12 LEU HD11 1 1 1 199 1 1 12 LEU HD12 H 8.210 3.157 -3.948 1.00 . A A . 12 LEU HD12 1 1 1 200 1 1 12 LEU HD13 H 6.999 1.905 -4.177 1.00 . A A . 12 LEU HD13 1 1 1 201 1 1 12 LEU HD21 H 9.764 1.655 -2.624 1.00 . A A . 12 LEU HD21 1 1 1 202 1 1 12 LEU HD22 H 9.100 0.631 -1.362 1.00 . A A . 12 LEU HD22 1 1 1 203 1 1 12 LEU HD23 H 8.648 0.364 -3.034 1.00 . A A . 12 LEU HD23 1 1 1 204 1 1 12 LEU HG H 6.839 1.536 -1.765 1.00 . A A . 12 LEU HG 1 1 1 205 1 1 12 LEU N N 7.379 1.835 0.778 1.00 . A A . 12 LEU N 1 1 1 206 1 1 12 LEU O O 5.322 3.609 -1.280 1.00 . A A . 12 LEU O 1 1 1 207 1 1 13 ASP C C 3.275 5.165 0.330 1.00 . A A . 13 ASP C 1 1 1 208 1 1 13 ASP CA C 3.480 3.709 0.780 1.00 . A A . 13 ASP CA 1 1 1 209 1 1 13 ASP CB C 2.790 3.443 2.151 1.00 . A A . 13 ASP CB 1 1 1 210 1 1 13 ASP CG C 3.579 4.060 3.324 1.00 . A A . 13 ASP CG 1 1 1 211 1 1 13 ASP H H 5.346 3.322 1.798 1.00 . A A . 13 ASP H 1 1 1 212 1 1 13 ASP HA H 3.079 3.042 0.031 1.00 . A A . 13 ASP HA 1 1 1 213 1 1 13 ASP HB2 H 1.788 3.847 2.142 1.00 . A A . 13 ASP HB2 1 1 1 214 1 1 13 ASP HB3 H 2.720 2.376 2.308 1.00 . A A . 13 ASP HB3 1 1 1 215 1 1 13 ASP N N 4.952 3.466 0.913 1.00 . A A . 13 ASP N 1 1 1 216 1 1 13 ASP O O 3.218 6.089 1.119 1.00 . A A . 13 ASP O 1 1 1 217 1 1 13 ASP OD1 O 4.502 3.394 3.768 1.00 . A A . 13 ASP OD1 1 1 1 218 1 1 13 ASP OD2 O 3.215 5.159 3.711 1.00 . A A . 13 ASP OD2 1 1 1 219 1 1 14 ASP C C 1.483 6.967 -1.764 1.00 . A A . 14 ASP C 1 1 1 220 1 1 14 ASP CA C 2.975 6.618 -1.626 1.00 . A A . 14 ASP CA 1 1 1 221 1 1 14 ASP CB C 3.655 6.525 -2.996 1.00 . A A . 14 ASP CB 1 1 1 222 1 1 14 ASP CG C 3.070 5.326 -3.776 1.00 . A A . 14 ASP CG 1 1 1 223 1 1 14 ASP H H 3.226 4.507 -1.538 1.00 . A A . 14 ASP H 1 1 1 224 1 1 14 ASP HA H 3.458 7.387 -1.038 1.00 . A A . 14 ASP HA 1 1 1 225 1 1 14 ASP HB2 H 3.482 7.426 -3.555 1.00 . A A . 14 ASP HB2 1 1 1 226 1 1 14 ASP HB3 H 4.721 6.390 -2.872 1.00 . A A . 14 ASP HB3 1 1 1 227 1 1 14 ASP N N 3.173 5.298 -0.964 1.00 . A A . 14 ASP N 1 1 1 228 1 1 14 ASP O O 1.125 7.893 -2.471 1.00 . A A . 14 ASP O 1 1 1 229 1 1 14 ASP OD1 O 1.993 5.518 -4.312 1.00 . A A . 14 ASP OD1 1 1 1 230 1 1 14 ASP OD2 O 3.725 4.294 -3.790 1.00 . A A . 14 ASP OD2 1 1 1 231 1 1 15 CYS C C -1.221 7.749 -0.471 1.00 . A A . 15 CYS C 1 1 1 232 1 1 15 CYS CA C -0.809 6.438 -1.128 1.00 . A A . 15 CYS CA 1 1 1 233 1 1 15 CYS CB C -1.480 5.266 -0.427 1.00 . A A . 15 CYS CB 1 1 1 234 1 1 15 CYS H H 1.005 5.482 -0.530 1.00 . A A . 15 CYS H 1 1 1 235 1 1 15 CYS HA H -1.126 6.453 -2.157 1.00 . A A . 15 CYS HA 1 1 1 236 1 1 15 CYS HB2 H -1.371 5.374 0.641 1.00 . A A . 15 CYS HB2 1 1 1 237 1 1 15 CYS HB3 H -2.533 5.293 -0.648 1.00 . A A . 15 CYS HB3 1 1 1 238 1 1 15 CYS N N 0.661 6.212 -1.083 1.00 . A A . 15 CYS N 1 1 1 239 1 1 15 CYS O O -0.494 8.313 0.326 1.00 . A A . 15 CYS O 1 1 1 240 1 1 15 CYS SG S -0.865 3.628 -0.874 1.00 . A A . 15 CYS SG 1 1 1 241 1 1 16 CYS C C -3.172 9.233 1.203 1.00 . A A . 16 CYS C 1 1 1 242 1 1 16 CYS CA C -2.970 9.449 -0.307 1.00 . A A . 16 CYS CA 1 1 1 243 1 1 16 CYS CB C -4.303 9.713 -1.031 1.00 . A A . 16 CYS CB 1 1 1 244 1 1 16 CYS H H -2.906 7.661 -1.498 1.00 . A A . 16 CYS H 1 1 1 245 1 1 16 CYS HA H -2.268 10.253 -0.461 1.00 . A A . 16 CYS HA 1 1 1 246 1 1 16 CYS HB2 H -4.257 9.262 -2.011 1.00 . A A . 16 CYS HB2 1 1 1 247 1 1 16 CYS HB3 H -5.102 9.226 -0.492 1.00 . A A . 16 CYS HB3 1 1 1 248 1 1 16 CYS N N -2.395 8.182 -0.847 1.00 . A A . 16 CYS N 1 1 1 249 1 1 16 CYS O O -2.997 10.130 2.006 1.00 . A A . 16 CYS O 1 1 1 250 1 1 16 CYS SG S -4.772 11.443 -1.264 1.00 . A A . 16 CYS SG 1 1 1 251 1 1 17 SER C C -2.483 7.033 3.528 1.00 . A A . 17 SER C 1 1 1 252 1 1 17 SER CA C -3.791 7.567 2.908 1.00 . A A . 17 SER CA 1 1 1 253 1 1 17 SER CB C -4.852 6.468 2.859 1.00 . A A . 17 SER CB 1 1 1 254 1 1 17 SER H H -3.666 7.350 0.804 1.00 . A A . 17 SER H 1 1 1 255 1 1 17 SER HA H -4.148 8.399 3.498 1.00 . A A . 17 SER HA 1 1 1 256 1 1 17 SER HB2 H -5.075 6.104 3.843 1.00 . A A . 17 SER HB2 1 1 1 257 1 1 17 SER HB3 H -5.756 6.800 2.370 1.00 . A A . 17 SER HB3 1 1 1 258 1 1 17 SER HG H -4.680 4.598 2.333 1.00 . A A . 17 SER HG 1 1 1 259 1 1 17 SER N N -3.541 8.014 1.512 1.00 . A A . 17 SER N 1 1 1 260 1 1 17 SER O O -2.425 6.777 4.714 1.00 . A A . 17 SER O 1 1 1 261 1 1 17 SER OG O -4.252 5.425 2.099 1.00 . A A . 17 SER OG 1 1 1 262 1 1 18 ARG C C -0.277 4.986 3.767 1.00 . A A . 18 ARG C 1 1 1 263 1 1 18 ARG CA C -0.134 6.369 3.108 1.00 . A A . 18 ARG CA 1 1 1 264 1 1 18 ARG CB C 0.509 7.386 4.099 1.00 . A A . 18 ARG CB 1 1 1 265 1 1 18 ARG CD C 1.830 9.521 4.247 1.00 . A A . 18 ARG CD 1 1 1 266 1 1 18 ARG CG C 1.279 8.450 3.291 1.00 . A A . 18 ARG CG 1 1 1 267 1 1 18 ARG CZ C 0.197 11.313 4.313 1.00 . A A . 18 ARG CZ 1 1 1 268 1 1 18 ARG H H -1.621 7.113 1.747 1.00 . A A . 18 ARG H 1 1 1 269 1 1 18 ARG HA H 0.478 6.259 2.225 1.00 . A A . 18 ARG HA 1 1 1 270 1 1 18 ARG HB2 H -0.248 7.867 4.699 1.00 . A A . 18 ARG HB2 1 1 1 271 1 1 18 ARG HB3 H 1.198 6.886 4.764 1.00 . A A . 18 ARG HB3 1 1 1 272 1 1 18 ARG HD2 H 2.422 9.064 5.025 1.00 . A A . 18 ARG HD2 1 1 1 273 1 1 18 ARG HD3 H 2.445 10.227 3.708 1.00 . A A . 18 ARG HD3 1 1 1 274 1 1 18 ARG HE H 0.286 9.901 5.706 1.00 . A A . 18 ARG HE 1 1 1 275 1 1 18 ARG HG2 H 2.100 7.984 2.765 1.00 . A A . 18 ARG HG2 1 1 1 276 1 1 18 ARG HG3 H 0.622 8.909 2.567 1.00 . A A . 18 ARG HG3 1 1 1 277 1 1 18 ARG HH11 H -0.950 10.274 3.047 1.00 . A A . 18 ARG HH11 1 1 1 278 1 1 18 ARG HH12 H -1.049 11.999 2.904 1.00 . A A . 18 ARG HH12 1 1 1 279 1 1 18 ARG HH21 H 1.263 12.533 5.486 1.00 . A A . 18 ARG HH21 1 1 1 280 1 1 18 ARG HH22 H 0.242 13.314 4.324 1.00 . A A . 18 ARG HH22 1 1 1 281 1 1 18 ARG N N -1.482 6.882 2.688 1.00 . A A . 18 ARG N 1 1 1 282 1 1 18 ARG NE N 0.679 10.238 4.875 1.00 . A A . 18 ARG NE 1 1 1 283 1 1 18 ARG NH1 N -0.668 11.186 3.345 1.00 . A A . 18 ARG NH1 1 1 1 284 1 1 18 ARG NH2 N 0.598 12.478 4.741 1.00 . A A . 18 ARG NH2 1 1 1 285 1 1 18 ARG O O 0.551 4.566 4.554 1.00 . A A . 18 ARG O 1 1 1 286 1 1 19 LYS C C -1.772 1.983 2.771 1.00 . A A . 19 LYS C 1 1 1 287 1 1 19 LYS CA C -1.653 2.966 3.937 1.00 . A A . 19 LYS CA 1 1 1 288 1 1 19 LYS CB C -2.977 3.033 4.712 1.00 . A A . 19 LYS CB 1 1 1 289 1 1 19 LYS CD C -2.378 2.073 6.991 1.00 . A A . 19 LYS CD 1 1 1 290 1 1 19 LYS CE C -3.671 1.345 7.413 1.00 . A A . 19 LYS CE 1 1 1 291 1 1 19 LYS CG C -2.726 3.364 6.202 1.00 . A A . 19 LYS CG 1 1 1 292 1 1 19 LYS H H -1.973 4.712 2.765 1.00 . A A . 19 LYS H 1 1 1 293 1 1 19 LYS HA H -0.852 2.638 4.587 1.00 . A A . 19 LYS HA 1 1 1 294 1 1 19 LYS HB2 H -3.610 3.796 4.282 1.00 . A A . 19 LYS HB2 1 1 1 295 1 1 19 LYS HB3 H -3.481 2.087 4.613 1.00 . A A . 19 LYS HB3 1 1 1 296 1 1 19 LYS HD2 H -1.774 1.415 6.384 1.00 . A A . 19 LYS HD2 1 1 1 297 1 1 19 LYS HD3 H -1.812 2.335 7.873 1.00 . A A . 19 LYS HD3 1 1 1 298 1 1 19 LYS HE2 H -4.163 1.889 8.206 1.00 . A A . 19 LYS HE2 1 1 1 299 1 1 19 LYS HE3 H -4.350 1.249 6.579 1.00 . A A . 19 LYS HE3 1 1 1 300 1 1 19 LYS HG2 H -1.914 4.071 6.293 1.00 . A A . 19 LYS HG2 1 1 1 301 1 1 19 LYS HG3 H -3.614 3.819 6.617 1.00 . A A . 19 LYS HG3 1 1 1 302 1 1 19 LYS HZ1 H -2.485 0.023 8.497 1.00 . A A . 19 LYS HZ1 1 1 1 303 1 1 19 LYS HZ2 H -4.135 -0.383 8.479 1.00 . A A . 19 LYS HZ2 1 1 1 304 1 1 19 LYS HZ3 H -3.179 -0.654 7.101 1.00 . A A . 19 LYS HZ3 1 1 1 305 1 1 19 LYS N N -1.345 4.320 3.405 1.00 . A A . 19 LYS N 1 1 1 306 1 1 19 LYS NZ N -3.342 -0.021 7.911 1.00 . A A . 19 LYS NZ 1 1 1 307 1 1 19 LYS O O -2.558 2.192 1.867 1.00 . A A . 19 LYS O 1 1 1 308 1 1 20 CYS C C -1.341 -1.420 2.500 1.00 . A A . 20 CYS C 1 1 1 309 1 1 20 CYS CA C -0.965 -0.109 1.797 1.00 . A A . 20 CYS CA 1 1 1 310 1 1 20 CYS CB C 0.440 -0.141 1.210 1.00 . A A . 20 CYS CB 1 1 1 311 1 1 20 CYS H H -0.357 0.837 3.584 1.00 . A A . 20 CYS H 1 1 1 312 1 1 20 CYS HA H -1.700 0.125 1.042 1.00 . A A . 20 CYS HA 1 1 1 313 1 1 20 CYS HB2 H 1.155 -0.218 2.016 1.00 . A A . 20 CYS HB2 1 1 1 314 1 1 20 CYS HB3 H 0.529 -1.024 0.614 1.00 . A A . 20 CYS HB3 1 1 1 315 1 1 20 CYS N N -0.977 0.945 2.839 1.00 . A A . 20 CYS N 1 1 1 316 1 1 20 CYS O O -0.646 -1.863 3.394 1.00 . A A . 20 CYS O 1 1 1 317 1 1 20 CYS SG S 0.884 1.307 0.219 1.00 . A A . 20 CYS SG 1 1 1 318 1 1 21 ASN C C -2.027 -4.480 2.330 1.00 . A A . 21 ASN C 1 1 1 319 1 1 21 ASN CA C -2.925 -3.279 2.668 1.00 . A A . 21 ASN CA 1 1 1 320 1 1 21 ASN CB C -4.375 -3.538 2.160 1.00 . A A . 21 ASN CB 1 1 1 321 1 1 21 ASN CG C -4.491 -3.294 0.646 1.00 . A A . 21 ASN CG 1 1 1 322 1 1 21 ASN H H -2.941 -1.580 1.343 1.00 . A A . 21 ASN H 1 1 1 323 1 1 21 ASN HA H -2.948 -3.167 3.743 1.00 . A A . 21 ASN HA 1 1 1 324 1 1 21 ASN HB2 H -4.673 -4.556 2.363 1.00 . A A . 21 ASN HB2 1 1 1 325 1 1 21 ASN HB3 H -5.060 -2.879 2.671 1.00 . A A . 21 ASN HB3 1 1 1 326 1 1 21 ASN HD21 H -2.772 -4.181 0.245 1.00 . A A . 21 ASN HD21 1 1 1 327 1 1 21 ASN HD22 H -3.602 -3.577 -1.104 1.00 . A A . 21 ASN HD22 1 1 1 328 1 1 21 ASN N N -2.434 -1.996 2.071 1.00 . A A . 21 ASN N 1 1 1 329 1 1 21 ASN ND2 N -3.543 -3.720 -0.138 1.00 . A A . 21 ASN ND2 1 1 1 330 1 1 21 ASN O O -1.052 -4.362 1.613 1.00 . A A . 21 ASN O 1 1 1 331 1 1 21 ASN OD1 O -5.444 -2.715 0.163 1.00 . A A . 21 ASN OD1 1 1 1 332 1 1 22 ARG C C -1.584 -7.311 1.206 1.00 . A A . 22 ARG C 1 1 1 333 1 1 22 ARG CA C -1.692 -6.891 2.684 1.00 . A A . 22 ARG CA 1 1 1 334 1 1 22 ARG CB C -2.437 -7.969 3.496 1.00 . A A . 22 ARG CB 1 1 1 335 1 1 22 ARG CD C -4.721 -8.990 3.954 1.00 . A A . 22 ARG CD 1 1 1 336 1 1 22 ARG CG C -3.888 -8.136 2.972 1.00 . A A . 22 ARG CG 1 1 1 337 1 1 22 ARG CZ C -4.058 -11.296 3.610 1.00 . A A . 22 ARG CZ 1 1 1 338 1 1 22 ARG H H -3.204 -5.620 3.446 1.00 . A A . 22 ARG H 1 1 1 339 1 1 22 ARG HA H -0.704 -6.765 3.091 1.00 . A A . 22 ARG HA 1 1 1 340 1 1 22 ARG HB2 H -1.912 -8.906 3.412 1.00 . A A . 22 ARG HB2 1 1 1 341 1 1 22 ARG HB3 H -2.455 -7.679 4.537 1.00 . A A . 22 ARG HB3 1 1 1 342 1 1 22 ARG HD2 H -4.236 -9.089 4.914 1.00 . A A . 22 ARG HD2 1 1 1 343 1 1 22 ARG HD3 H -5.692 -8.540 4.099 1.00 . A A . 22 ARG HD3 1 1 1 344 1 1 22 ARG HE H -5.689 -10.523 2.782 1.00 . A A . 22 ARG HE 1 1 1 345 1 1 22 ARG HG2 H -4.358 -7.169 2.863 1.00 . A A . 22 ARG HG2 1 1 1 346 1 1 22 ARG HG3 H -3.861 -8.611 2.003 1.00 . A A . 22 ARG HG3 1 1 1 347 1 1 22 ARG HH11 H -2.772 -10.649 2.220 1.00 . A A . 22 ARG HH11 1 1 1 348 1 1 22 ARG HH12 H -2.279 -12.059 3.101 1.00 . A A . 22 ARG HH12 1 1 1 349 1 1 22 ARG HH21 H -5.197 -12.102 5.043 1.00 . A A . 22 ARG HH21 1 1 1 350 1 1 22 ARG HH22 H -3.689 -12.902 4.745 1.00 . A A . 22 ARG HH22 1 1 1 351 1 1 22 ARG N N -2.413 -5.604 2.878 1.00 . A A . 22 ARG N 1 1 1 352 1 1 22 ARG NE N -4.917 -10.346 3.359 1.00 . A A . 22 ARG NE 1 1 1 353 1 1 22 ARG NH1 N -2.949 -11.338 2.923 1.00 . A A . 22 ARG NH1 1 1 1 354 1 1 22 ARG NH2 N -4.336 -12.168 4.538 1.00 . A A . 22 ARG NH2 1 1 1 355 1 1 22 ARG O O -0.768 -8.145 0.868 1.00 . A A . 22 ARG O 1 1 1 356 1 1 23 PHE C C -1.427 -6.128 -1.833 1.00 . A A . 23 PHE C 1 1 1 357 1 1 23 PHE CA C -2.408 -7.038 -1.080 1.00 . A A . 23 PHE CA 1 1 1 358 1 1 23 PHE CB C -3.843 -6.847 -1.591 1.00 . A A . 23 PHE CB 1 1 1 359 1 1 23 PHE CD1 C -4.909 -8.923 -0.590 1.00 . A A . 23 PHE CD1 1 1 1 360 1 1 23 PHE CD2 C -5.694 -6.794 0.144 1.00 . A A . 23 PHE CD2 1 1 1 361 1 1 23 PHE CE1 C -5.805 -9.545 0.254 1.00 . A A . 23 PHE CE1 1 1 1 362 1 1 23 PHE CE2 C -6.591 -7.416 0.988 1.00 . A A . 23 PHE CE2 1 1 1 363 1 1 23 PHE CG C -4.845 -7.542 -0.652 1.00 . A A . 23 PHE CG 1 1 1 364 1 1 23 PHE CZ C -6.646 -8.792 1.044 1.00 . A A . 23 PHE CZ 1 1 1 365 1 1 23 PHE H H -3.049 -6.052 0.687 1.00 . A A . 23 PHE H 1 1 1 366 1 1 23 PHE HA H -2.106 -8.064 -1.224 1.00 . A A . 23 PHE HA 1 1 1 367 1 1 23 PHE HB2 H -4.087 -5.797 -1.660 1.00 . A A . 23 PHE HB2 1 1 1 368 1 1 23 PHE HB3 H -3.927 -7.286 -2.565 1.00 . A A . 23 PHE HB3 1 1 1 369 1 1 23 PHE HD1 H -4.253 -9.520 -1.206 1.00 . A A . 23 PHE HD1 1 1 1 370 1 1 23 PHE HD2 H -5.659 -5.716 0.106 1.00 . A A . 23 PHE HD2 1 1 1 371 1 1 23 PHE HE1 H -5.848 -10.624 0.296 1.00 . A A . 23 PHE HE1 1 1 1 372 1 1 23 PHE HE2 H -7.251 -6.824 1.606 1.00 . A A . 23 PHE HE2 1 1 1 373 1 1 23 PHE HZ H -7.349 -9.279 1.705 1.00 . A A . 23 PHE HZ 1 1 1 374 1 1 23 PHE N N -2.407 -6.720 0.375 1.00 . A A . 23 PHE N 1 1 1 375 1 1 23 PHE O O -1.483 -6.020 -3.044 1.00 . A A . 23 PHE O 1 1 1 376 1 1 24 ASN C C -0.149 -3.530 -2.560 1.00 . A A . 24 ASN C 1 1 1 377 1 1 24 ASN CA C 0.479 -4.574 -1.633 1.00 . A A . 24 ASN CA 1 1 1 378 1 1 24 ASN CB C 1.539 -5.406 -2.397 1.00 . A A . 24 ASN CB 1 1 1 379 1 1 24 ASN CG C 2.187 -6.411 -1.437 1.00 . A A . 24 ASN CG 1 1 1 380 1 1 24 ASN H H -0.583 -5.643 -0.109 1.00 . A A . 24 ASN H 1 1 1 381 1 1 24 ASN HA H 0.927 -4.047 -0.806 1.00 . A A . 24 ASN HA 1 1 1 382 1 1 24 ASN HB2 H 1.086 -5.943 -3.218 1.00 . A A . 24 ASN HB2 1 1 1 383 1 1 24 ASN HB3 H 2.308 -4.756 -2.789 1.00 . A A . 24 ASN HB3 1 1 1 384 1 1 24 ASN HD21 H 0.586 -7.592 -1.379 1.00 . A A . 24 ASN HD21 1 1 1 385 1 1 24 ASN HD22 H 1.904 -8.106 -0.442 1.00 . A A . 24 ASN HD22 1 1 1 386 1 1 24 ASN N N -0.556 -5.502 -1.076 1.00 . A A . 24 ASN N 1 1 1 387 1 1 24 ASN ND2 N 1.502 -7.455 -1.055 1.00 . A A . 24 ASN ND2 1 1 1 388 1 1 24 ASN O O 0.414 -3.142 -3.563 1.00 . A A . 24 ASN O 1 1 1 389 1 1 24 ASN OD1 O 3.320 -6.255 -1.026 1.00 . A A . 24 ASN OD1 1 1 1 390 1 1 25 LYS C C -2.503 -1.035 -1.882 1.00 . A A . 25 LYS C 1 1 1 391 1 1 25 LYS CA C -2.120 -2.108 -2.901 1.00 . A A . 25 LYS CA 1 1 1 392 1 1 25 LYS CB C -3.354 -2.806 -3.486 1.00 . A A . 25 LYS CB 1 1 1 393 1 1 25 LYS CD C -4.251 -4.060 -5.496 1.00 . A A . 25 LYS CD 1 1 1 394 1 1 25 LYS CE C -4.382 -5.462 -4.875 1.00 . A A . 25 LYS CE 1 1 1 395 1 1 25 LYS CG C -3.026 -3.328 -4.902 1.00 . A A . 25 LYS CG 1 1 1 396 1 1 25 LYS H H -1.703 -3.500 -1.338 1.00 . A A . 25 LYS H 1 1 1 397 1 1 25 LYS HA H -1.514 -1.653 -3.668 1.00 . A A . 25 LYS HA 1 1 1 398 1 1 25 LYS HB2 H -3.630 -3.644 -2.863 1.00 . A A . 25 LYS HB2 1 1 1 399 1 1 25 LYS HB3 H -4.177 -2.118 -3.506 1.00 . A A . 25 LYS HB3 1 1 1 400 1 1 25 LYS HD2 H -5.152 -3.494 -5.311 1.00 . A A . 25 LYS HD2 1 1 1 401 1 1 25 LYS HD3 H -4.122 -4.155 -6.565 1.00 . A A . 25 LYS HD3 1 1 1 402 1 1 25 LYS HE2 H -3.447 -5.998 -4.936 1.00 . A A . 25 LYS HE2 1 1 1 403 1 1 25 LYS HE3 H -4.681 -5.386 -3.841 1.00 . A A . 25 LYS HE3 1 1 1 404 1 1 25 LYS HG2 H -2.774 -2.496 -5.542 1.00 . A A . 25 LYS HG2 1 1 1 405 1 1 25 LYS HG3 H -2.177 -3.995 -4.862 1.00 . A A . 25 LYS HG3 1 1 1 406 1 1 25 LYS HZ1 H -6.307 -5.697 -5.628 1.00 . A A . 25 LYS HZ1 1 1 1 407 1 1 25 LYS HZ2 H -5.102 -6.426 -6.575 1.00 . A A . 25 LYS HZ2 1 1 1 408 1 1 25 LYS HZ3 H -5.582 -7.144 -5.113 1.00 . A A . 25 LYS HZ3 1 1 1 409 1 1 25 LYS N N -1.323 -3.124 -2.159 1.00 . A A . 25 LYS N 1 1 1 410 1 1 25 LYS NZ N -5.421 -6.241 -5.603 1.00 . A A . 25 LYS NZ 1 1 1 411 1 1 25 LYS O O -2.427 -1.279 -0.694 1.00 . A A . 25 LYS O 1 1 1 412 1 1 26 CYS C C -4.626 0.905 -0.728 1.00 . A A . 26 CYS C 1 1 1 413 1 1 26 CYS CA C -3.281 1.196 -1.389 1.00 . A A . 26 CYS CA 1 1 1 414 1 1 26 CYS CB C -3.332 2.516 -2.149 1.00 . A A . 26 CYS CB 1 1 1 415 1 1 26 CYS H H -2.971 0.295 -3.307 1.00 . A A . 26 CYS H 1 1 1 416 1 1 26 CYS HA H -2.525 1.260 -0.623 1.00 . A A . 26 CYS HA 1 1 1 417 1 1 26 CYS HB2 H -3.927 2.382 -3.035 1.00 . A A . 26 CYS HB2 1 1 1 418 1 1 26 CYS HB3 H -3.825 3.246 -1.533 1.00 . A A . 26 CYS HB3 1 1 1 419 1 1 26 CYS N N -2.905 0.121 -2.347 1.00 . A A . 26 CYS N 1 1 1 420 1 1 26 CYS O O -5.325 -0.021 -1.092 1.00 . A A . 26 CYS O 1 1 1 421 1 1 26 CYS SG S -1.747 3.230 -2.648 1.00 . A A . 26 CYS SG 1 1 1 422 1 1 27 VAL C C -6.951 2.953 0.997 1.00 . A A . 27 VAL C 1 1 1 423 1 1 27 VAL CA C -6.201 1.604 1.009 1.00 . A A . 27 VAL CA 1 1 1 424 1 1 27 VAL CB C -5.835 1.169 2.453 1.00 . A A . 27 VAL CB 1 1 1 425 1 1 27 VAL CG1 C -7.113 0.781 3.228 1.00 . A A . 27 VAL CG1 1 1 1 426 1 1 27 VAL CG2 C -4.910 -0.073 2.404 1.00 . A A . 27 VAL CG2 1 1 1 427 1 1 27 VAL H H -4.297 2.442 0.468 1.00 . A A . 27 VAL H 1 1 1 428 1 1 27 VAL HA H -6.830 0.855 0.547 1.00 . A A . 27 VAL HA 1 1 1 429 1 1 27 VAL HB H -5.322 1.981 2.949 1.00 . A A . 27 VAL HB 1 1 1 430 1 1 27 VAL HG11 H -7.705 0.085 2.650 1.00 . A A . 27 VAL HG11 1 1 1 431 1 1 27 VAL HG12 H -6.850 0.312 4.167 1.00 . A A . 27 VAL HG12 1 1 1 432 1 1 27 VAL HG13 H -7.707 1.659 3.435 1.00 . A A . 27 VAL HG13 1 1 1 433 1 1 27 VAL HG21 H -5.372 -0.850 1.813 1.00 . A A . 27 VAL HG21 1 1 1 434 1 1 27 VAL HG22 H -3.959 0.175 1.958 1.00 . A A . 27 VAL HG22 1 1 1 435 1 1 27 VAL HG23 H -4.729 -0.455 3.399 1.00 . A A . 27 VAL HG23 1 1 1 436 1 1 27 VAL N N -4.927 1.727 0.240 1.00 . A A . 27 VAL N 1 1 1 437 1 1 27 VAL O O -6.278 3.964 0.872 1.00 . A A . 27 VAL O 1 1 1 438 1 1 27 VAL OXT O -8.164 2.900 1.112 1.00 . A A . 27 VAL OXT 1 1 2 439 1 1 1 CYS C C -1.580 10.214 -4.982 1.00 . A A . 1 CYS C 1 1 2 440 1 1 1 CYS CA C -1.091 11.442 -4.199 1.00 . A A . 1 CYS CA 1 1 2 441 1 1 1 CYS CB C -2.104 11.850 -3.097 1.00 . A A . 1 CYS CB 1 1 2 442 1 1 1 CYS H1 H -1.789 12.648 -5.744 1.00 . A A . 1 CYS H1 1 1 2 443 1 1 1 CYS H2 H -0.810 13.461 -4.618 1.00 . A A . 1 CYS H2 1 1 2 444 1 1 1 CYS H3 H -0.108 12.415 -5.758 1.00 . A A . 1 CYS H3 1 1 2 445 1 1 1 CYS HA H -0.124 11.224 -3.768 1.00 . A A . 1 CYS HA 1 1 2 446 1 1 1 CYS HB2 H -1.830 11.306 -2.207 1.00 . A A . 1 CYS HB2 1 1 2 447 1 1 1 CYS HB3 H -1.970 12.900 -2.881 1.00 . A A . 1 CYS HB3 1 1 2 448 1 1 1 CYS N N -0.937 12.578 -5.151 1.00 . A A . 1 CYS N 1 1 2 449 1 1 1 CYS O O -2.350 10.346 -5.914 1.00 . A A . 1 CYS O 1 1 2 450 1 1 1 CYS SG S -3.877 11.578 -3.354 1.00 . A A . 1 CYS SG 1 1 2 451 1 1 2 ARG C C -2.967 7.427 -4.880 1.00 . A A . 2 ARG C 1 1 2 452 1 1 2 ARG CA C -1.537 7.796 -5.288 1.00 . A A . 2 ARG CA 1 1 2 453 1 1 2 ARG CB C -0.542 6.678 -4.909 1.00 . A A . 2 ARG CB 1 1 2 454 1 1 2 ARG CD C 0.254 5.584 -7.057 1.00 . A A . 2 ARG CD 1 1 2 455 1 1 2 ARG CG C -0.677 5.450 -5.839 1.00 . A A . 2 ARG CG 1 1 2 456 1 1 2 ARG CZ C 0.351 7.490 -8.552 1.00 . A A . 2 ARG CZ 1 1 2 457 1 1 2 ARG H H -0.508 8.994 -3.820 1.00 . A A . 2 ARG H 1 1 2 458 1 1 2 ARG HA H -1.510 7.974 -6.352 1.00 . A A . 2 ARG HA 1 1 2 459 1 1 2 ARG HB2 H 0.464 7.068 -4.941 1.00 . A A . 2 ARG HB2 1 1 2 460 1 1 2 ARG HB3 H -0.743 6.351 -3.907 1.00 . A A . 2 ARG HB3 1 1 2 461 1 1 2 ARG HD2 H 1.232 5.941 -6.765 1.00 . A A . 2 ARG HD2 1 1 2 462 1 1 2 ARG HD3 H 0.364 4.628 -7.548 1.00 . A A . 2 ARG HD3 1 1 2 463 1 1 2 ARG HE H -1.320 6.461 -8.242 1.00 . A A . 2 ARG HE 1 1 2 464 1 1 2 ARG HG2 H -0.398 4.564 -5.284 1.00 . A A . 2 ARG HG2 1 1 2 465 1 1 2 ARG HG3 H -1.699 5.337 -6.169 1.00 . A A . 2 ARG HG3 1 1 2 466 1 1 2 ARG HH11 H 0.515 8.498 -6.830 1.00 . A A . 2 ARG HH11 1 1 2 467 1 1 2 ARG HH12 H 1.309 9.212 -8.195 1.00 . A A . 2 ARG HH12 1 1 2 468 1 1 2 ARG HH21 H 0.309 6.644 -10.364 1.00 . A A . 2 ARG HH21 1 1 2 469 1 1 2 ARG HH22 H 1.189 8.131 -10.254 1.00 . A A . 2 ARG HH22 1 1 2 470 1 1 2 ARG N N -1.121 9.050 -4.584 1.00 . A A . 2 ARG N 1 1 2 471 1 1 2 ARG NE N -0.370 6.543 -8.016 1.00 . A A . 2 ARG NE 1 1 2 472 1 1 2 ARG NH1 N 0.757 8.477 -7.801 1.00 . A A . 2 ARG NH1 1 1 2 473 1 1 2 ARG NH2 N 0.639 7.417 -9.822 1.00 . A A . 2 ARG NH2 1 1 2 474 1 1 2 ARG O O -3.306 7.437 -3.713 1.00 . A A . 2 ARG O 1 1 2 475 1 1 3 ILE C C -5.315 5.439 -4.806 1.00 . A A . 3 ILE C 1 1 2 476 1 1 3 ILE CA C -5.184 6.726 -5.659 1.00 . A A . 3 ILE CA 1 1 2 477 1 1 3 ILE CB C -5.815 6.563 -7.077 1.00 . A A . 3 ILE CB 1 1 2 478 1 1 3 ILE CD1 C -5.733 5.202 -9.255 1.00 . A A . 3 ILE CD1 1 1 2 479 1 1 3 ILE CG1 C -5.197 5.331 -7.809 1.00 . A A . 3 ILE CG1 1 1 2 480 1 1 3 ILE CG2 C -5.543 7.865 -7.892 1.00 . A A . 3 ILE CG2 1 1 2 481 1 1 3 ILE H H -3.412 7.114 -6.790 1.00 . A A . 3 ILE H 1 1 2 482 1 1 3 ILE HA H -5.667 7.541 -5.140 1.00 . A A . 3 ILE HA 1 1 2 483 1 1 3 ILE HB H -6.877 6.423 -6.987 1.00 . A A . 3 ILE HB 1 1 2 484 1 1 3 ILE HD11 H -6.581 5.850 -9.421 1.00 . A A . 3 ILE HD11 1 1 2 485 1 1 3 ILE HD12 H -4.955 5.464 -9.958 1.00 . A A . 3 ILE HD12 1 1 2 486 1 1 3 ILE HD13 H -6.042 4.184 -9.440 1.00 . A A . 3 ILE HD13 1 1 2 487 1 1 3 ILE HG12 H -4.121 5.414 -7.834 1.00 . A A . 3 ILE HG12 1 1 2 488 1 1 3 ILE HG13 H -5.459 4.432 -7.271 1.00 . A A . 3 ILE HG13 1 1 2 489 1 1 3 ILE HG21 H -5.565 8.729 -7.244 1.00 . A A . 3 ILE HG21 1 1 2 490 1 1 3 ILE HG22 H -4.574 7.820 -8.370 1.00 . A A . 3 ILE HG22 1 1 2 491 1 1 3 ILE HG23 H -6.299 7.996 -8.653 1.00 . A A . 3 ILE HG23 1 1 2 492 1 1 3 ILE N N -3.755 7.108 -5.872 1.00 . A A . 3 ILE N 1 1 2 493 1 1 3 ILE O O -4.375 4.669 -4.748 1.00 . A A . 3 ILE O 1 1 2 494 1 1 4 HYP C C -6.495 2.716 -4.194 1.00 . A A . 4 HYP C 1 1 2 495 1 1 4 HYP CA C -6.683 3.995 -3.362 1.00 . A A . 4 HYP CA 1 1 2 496 1 1 4 HYP CB C -8.113 4.108 -2.802 1.00 . A A . 4 HYP CB 1 1 2 497 1 1 4 HYP CD C -7.607 6.174 -4.160 1.00 . A A . 4 HYP CD 1 1 2 498 1 1 4 HYP CG C -8.697 5.448 -3.338 1.00 . A A . 4 HYP CG 1 1 2 499 1 1 4 HYP HA H -5.977 3.982 -2.544 1.00 . A A . 4 HYP HA 1 1 2 500 1 1 4 HYP HB2 H -8.082 4.097 -1.721 1.00 . A A . 4 HYP HB2 1 1 2 501 1 1 4 HYP HB3 H -8.726 3.284 -3.138 1.00 . A A . 4 HYP HB3 1 1 2 502 1 1 4 HYP HD1 H -9.751 6.694 -2.274 1.00 . A A . 4 HYP HD1 1 1 2 503 1 1 4 HYP HD22 H -7.308 7.108 -3.704 1.00 . A A . 4 HYP HD22 1 1 2 504 1 1 4 HYP HD23 H -7.949 6.350 -5.168 1.00 . A A . 4 HYP HD23 1 1 2 505 1 1 4 HYP HG H -9.623 5.324 -3.881 1.00 . A A . 4 HYP HG 1 1 2 506 1 1 4 HYP N N -6.450 5.231 -4.166 1.00 . A A . 4 HYP N 1 1 2 507 1 1 4 HYP O O -6.511 2.763 -5.409 1.00 . A A . 4 HYP O 1 1 2 508 1 1 4 HYP OD1 O -8.903 6.253 -2.183 1.00 . A A . 4 HYP OD1 1 1 2 509 1 1 5 ASN C C -4.993 0.192 -5.156 1.00 . A A . 5 ASN C 1 1 2 510 1 1 5 ASN CA C -6.115 0.266 -4.100 1.00 . A A . 5 ASN CA 1 1 2 511 1 1 5 ASN CB C -7.493 -0.206 -4.708 1.00 . A A . 5 ASN CB 1 1 2 512 1 1 5 ASN CG C -7.676 0.161 -6.194 1.00 . A A . 5 ASN CG 1 1 2 513 1 1 5 ASN H H -6.315 1.696 -2.515 1.00 . A A . 5 ASN H 1 1 2 514 1 1 5 ASN HA H -5.854 -0.412 -3.303 1.00 . A A . 5 ASN HA 1 1 2 515 1 1 5 ASN HB2 H -7.567 -1.281 -4.616 1.00 . A A . 5 ASN HB2 1 1 2 516 1 1 5 ASN HB3 H -8.307 0.230 -4.150 1.00 . A A . 5 ASN HB3 1 1 2 517 1 1 5 ASN HD21 H -8.746 1.792 -5.805 1.00 . A A . 5 ASN HD21 1 1 2 518 1 1 5 ASN HD22 H -8.478 1.472 -7.450 1.00 . A A . 5 ASN HD22 1 1 2 519 1 1 5 ASN N N -6.318 1.623 -3.491 1.00 . A A . 5 ASN N 1 1 2 520 1 1 5 ASN ND2 N -8.356 1.230 -6.509 1.00 . A A . 5 ASN ND2 1 1 2 521 1 1 5 ASN O O -4.838 -0.820 -5.812 1.00 . A A . 5 ASN O 1 1 2 522 1 1 5 ASN OD1 O -7.205 -0.523 -7.080 1.00 . A A . 5 ASN OD1 1 1 2 523 1 1 6 GLN C C -1.896 0.560 -5.724 1.00 . A A . 6 GLN C 1 1 2 524 1 1 6 GLN CA C -3.130 1.261 -6.296 1.00 . A A . 6 GLN CA 1 1 2 525 1 1 6 GLN CB C -2.802 2.715 -6.645 1.00 . A A . 6 GLN CB 1 1 2 526 1 1 6 GLN CD C -3.125 2.535 -9.172 1.00 . A A . 6 GLN CD 1 1 2 527 1 1 6 GLN CG C -2.124 2.793 -8.030 1.00 . A A . 6 GLN CG 1 1 2 528 1 1 6 GLN H H -4.391 2.049 -4.751 1.00 . A A . 6 GLN H 1 1 2 529 1 1 6 GLN HA H -3.458 0.728 -7.178 1.00 . A A . 6 GLN HA 1 1 2 530 1 1 6 GLN HB2 H -3.708 3.299 -6.651 1.00 . A A . 6 GLN HB2 1 1 2 531 1 1 6 GLN HB3 H -2.141 3.123 -5.894 1.00 . A A . 6 GLN HB3 1 1 2 532 1 1 6 GLN HE21 H -1.733 2.742 -10.571 1.00 . A A . 6 GLN HE21 1 1 2 533 1 1 6 GLN HE22 H -3.293 2.399 -11.146 1.00 . A A . 6 GLN HE22 1 1 2 534 1 1 6 GLN HG2 H -1.706 3.778 -8.164 1.00 . A A . 6 GLN HG2 1 1 2 535 1 1 6 GLN HG3 H -1.330 2.064 -8.096 1.00 . A A . 6 GLN HG3 1 1 2 536 1 1 6 GLN N N -4.237 1.250 -5.298 1.00 . A A . 6 GLN N 1 1 2 537 1 1 6 GLN NE2 N -2.680 2.561 -10.399 1.00 . A A . 6 GLN NE2 1 1 2 538 1 1 6 GLN O O -1.593 0.699 -4.554 1.00 . A A . 6 GLN O 1 1 2 539 1 1 6 GLN OE1 O -4.303 2.310 -8.971 1.00 . A A . 6 GLN OE1 1 1 2 540 1 1 7 LYS C C 1.013 -0.010 -5.486 1.00 . A A . 7 LYS C 1 1 2 541 1 1 7 LYS CA C -0.001 -0.921 -6.187 1.00 . A A . 7 LYS CA 1 1 2 542 1 1 7 LYS CB C 0.643 -1.527 -7.446 1.00 . A A . 7 LYS CB 1 1 2 543 1 1 7 LYS CD C 1.573 -3.893 -7.378 1.00 . A A . 7 LYS CD 1 1 2 544 1 1 7 LYS CE C 1.733 -4.145 -8.898 1.00 . A A . 7 LYS CE 1 1 2 545 1 1 7 LYS CG C 1.863 -2.416 -7.056 1.00 . A A . 7 LYS CG 1 1 2 546 1 1 7 LYS H H -1.547 -0.226 -7.509 1.00 . A A . 7 LYS H 1 1 2 547 1 1 7 LYS HA H -0.297 -1.713 -5.515 1.00 . A A . 7 LYS HA 1 1 2 548 1 1 7 LYS HB2 H -0.098 -2.099 -7.987 1.00 . A A . 7 LYS HB2 1 1 2 549 1 1 7 LYS HB3 H 0.980 -0.725 -8.087 1.00 . A A . 7 LYS HB3 1 1 2 550 1 1 7 LYS HD2 H 2.264 -4.511 -6.825 1.00 . A A . 7 LYS HD2 1 1 2 551 1 1 7 LYS HD3 H 0.569 -4.142 -7.064 1.00 . A A . 7 LYS HD3 1 1 2 552 1 1 7 LYS HE2 H 0.796 -3.971 -9.406 1.00 . A A . 7 LYS HE2 1 1 2 553 1 1 7 LYS HE3 H 2.486 -3.500 -9.327 1.00 . A A . 7 LYS HE3 1 1 2 554 1 1 7 LYS HG2 H 2.737 -2.084 -7.598 1.00 . A A . 7 LYS HG2 1 1 2 555 1 1 7 LYS HG3 H 2.080 -2.338 -6.000 1.00 . A A . 7 LYS HG3 1 1 2 556 1 1 7 LYS HZ1 H 2.909 -5.811 -8.486 1.00 . A A . 7 LYS HZ1 1 1 2 557 1 1 7 LYS HZ2 H 1.329 -6.185 -8.987 1.00 . A A . 7 LYS HZ2 1 1 2 558 1 1 7 LYS HZ3 H 2.477 -5.655 -10.121 1.00 . A A . 7 LYS HZ3 1 1 2 559 1 1 7 LYS N N -1.230 -0.171 -6.583 1.00 . A A . 7 LYS N 1 1 2 560 1 1 7 LYS NZ N 2.142 -5.555 -9.141 1.00 . A A . 7 LYS NZ 1 1 2 561 1 1 7 LYS O O 1.522 0.927 -6.071 1.00 . A A . 7 LYS O 1 1 2 562 1 1 8 CYS C C 3.046 -0.478 -2.541 1.00 . A A . 8 CYS C 1 1 2 563 1 1 8 CYS CA C 2.226 0.460 -3.421 1.00 . A A . 8 CYS CA 1 1 2 564 1 1 8 CYS CB C 1.444 1.448 -2.566 1.00 . A A . 8 CYS CB 1 1 2 565 1 1 8 CYS H H 0.808 -1.096 -3.844 1.00 . A A . 8 CYS H 1 1 2 566 1 1 8 CYS HA H 2.902 0.998 -4.072 1.00 . A A . 8 CYS HA 1 1 2 567 1 1 8 CYS HB2 H 2.150 1.985 -1.951 1.00 . A A . 8 CYS HB2 1 1 2 568 1 1 8 CYS HB3 H 0.991 2.168 -3.232 1.00 . A A . 8 CYS HB3 1 1 2 569 1 1 8 CYS N N 1.261 -0.326 -4.242 1.00 . A A . 8 CYS N 1 1 2 570 1 1 8 CYS O O 2.616 -1.573 -2.228 1.00 . A A . 8 CYS O 1 1 2 571 1 1 8 CYS SG S 0.135 0.825 -1.484 1.00 . A A . 8 CYS SG 1 1 2 572 1 1 9 PHE C C 5.165 -0.269 0.115 1.00 . A A . 9 PHE C 1 1 2 573 1 1 9 PHE CA C 5.136 -0.794 -1.317 1.00 . A A . 9 PHE CA 1 1 2 574 1 1 9 PHE CB C 6.535 -0.723 -1.937 1.00 . A A . 9 PHE CB 1 1 2 575 1 1 9 PHE CD1 C 5.997 -0.816 -4.419 1.00 . A A . 9 PHE CD1 1 1 2 576 1 1 9 PHE CD2 C 6.948 -2.750 -3.399 1.00 . A A . 9 PHE CD2 1 1 2 577 1 1 9 PHE CE1 C 5.953 -1.473 -5.630 1.00 . A A . 9 PHE CE1 1 1 2 578 1 1 9 PHE CE2 C 6.905 -3.408 -4.609 1.00 . A A . 9 PHE CE2 1 1 2 579 1 1 9 PHE CG C 6.494 -1.449 -3.292 1.00 . A A . 9 PHE CG 1 1 2 580 1 1 9 PHE CZ C 6.407 -2.771 -5.726 1.00 . A A . 9 PHE CZ 1 1 2 581 1 1 9 PHE H H 4.476 0.894 -2.470 1.00 . A A . 9 PHE H 1 1 2 582 1 1 9 PHE HA H 4.813 -1.827 -1.294 1.00 . A A . 9 PHE HA 1 1 2 583 1 1 9 PHE HB2 H 6.823 0.306 -2.098 1.00 . A A . 9 PHE HB2 1 1 2 584 1 1 9 PHE HB3 H 7.266 -1.200 -1.299 1.00 . A A . 9 PHE HB3 1 1 2 585 1 1 9 PHE HD1 H 5.640 0.201 -4.353 1.00 . A A . 9 PHE HD1 1 1 2 586 1 1 9 PHE HD2 H 7.339 -3.256 -2.529 1.00 . A A . 9 PHE HD2 1 1 2 587 1 1 9 PHE HE1 H 5.563 -0.970 -6.503 1.00 . A A . 9 PHE HE1 1 1 2 588 1 1 9 PHE HE2 H 7.262 -4.425 -4.682 1.00 . A A . 9 PHE HE2 1 1 2 589 1 1 9 PHE HZ H 6.374 -3.288 -6.674 1.00 . A A . 9 PHE HZ 1 1 2 590 1 1 9 PHE N N 4.207 -0.001 -2.175 1.00 . A A . 9 PHE N 1 1 2 591 1 1 9 PHE O O 4.963 0.906 0.355 1.00 . A A . 9 PHE O 1 1 2 592 1 1 10 GLN C C 6.664 0.130 2.692 1.00 . A A . 10 GLN C 1 1 2 593 1 1 10 GLN CA C 5.486 -0.831 2.467 1.00 . A A . 10 GLN CA 1 1 2 594 1 1 10 GLN CB C 5.675 -2.138 3.259 1.00 . A A . 10 GLN CB 1 1 2 595 1 1 10 GLN CD C 4.403 -4.363 3.019 1.00 . A A . 10 GLN CD 1 1 2 596 1 1 10 GLN CG C 4.301 -2.868 3.371 1.00 . A A . 10 GLN CG 1 1 2 597 1 1 10 GLN H H 5.560 -2.103 0.767 1.00 . A A . 10 GLN H 1 1 2 598 1 1 10 GLN HA H 4.563 -0.352 2.727 1.00 . A A . 10 GLN HA 1 1 2 599 1 1 10 GLN HB2 H 6.406 -2.748 2.749 1.00 . A A . 10 GLN HB2 1 1 2 600 1 1 10 GLN HB3 H 6.047 -1.921 4.249 1.00 . A A . 10 GLN HB3 1 1 2 601 1 1 10 GLN HE21 H 2.434 -4.611 3.090 1.00 . A A . 10 GLN HE21 1 1 2 602 1 1 10 GLN HE22 H 3.327 -6.003 2.709 1.00 . A A . 10 GLN HE22 1 1 2 603 1 1 10 GLN HG2 H 3.930 -2.781 4.382 1.00 . A A . 10 GLN HG2 1 1 2 604 1 1 10 GLN HG3 H 3.576 -2.422 2.706 1.00 . A A . 10 GLN HG3 1 1 2 605 1 1 10 GLN N N 5.416 -1.175 1.023 1.00 . A A . 10 GLN N 1 1 2 606 1 1 10 GLN NE2 N 3.296 -5.050 2.933 1.00 . A A . 10 GLN NE2 1 1 2 607 1 1 10 GLN O O 6.627 0.980 3.560 1.00 . A A . 10 GLN O 1 1 2 608 1 1 10 GLN OE1 O 5.463 -4.923 2.824 1.00 . A A . 10 GLN OE1 1 1 2 609 1 1 11 HIS C C 8.597 2.139 1.306 1.00 . A A . 11 HIS C 1 1 2 610 1 1 11 HIS CA C 8.908 0.772 1.932 1.00 . A A . 11 HIS CA 1 1 2 611 1 1 11 HIS CB C 10.021 0.043 1.140 1.00 . A A . 11 HIS CB 1 1 2 612 1 1 11 HIS CD2 C 11.253 -0.960 3.271 1.00 . A A . 11 HIS CD2 1 1 2 613 1 1 11 HIS CE1 C 13.193 -0.442 2.756 1.00 . A A . 11 HIS CE1 1 1 2 614 1 1 11 HIS CG C 11.203 -0.304 2.051 1.00 . A A . 11 HIS CG 1 1 2 615 1 1 11 HIS H H 7.607 -0.774 1.209 1.00 . A A . 11 HIS H 1 1 2 616 1 1 11 HIS HA H 9.187 0.917 2.965 1.00 . A A . 11 HIS HA 1 1 2 617 1 1 11 HIS HB2 H 9.639 -0.878 0.724 1.00 . A A . 11 HIS HB2 1 1 2 618 1 1 11 HIS HB3 H 10.386 0.654 0.328 1.00 . A A . 11 HIS HB3 1 1 2 619 1 1 11 HIS HD1 H 12.749 0.460 0.998 1.00 . A A . 11 HIS HD1 1 1 2 620 1 1 11 HIS HD2 H 10.396 -1.354 3.798 1.00 . A A . 11 HIS HD2 1 1 2 621 1 1 11 HIS HE1 H 14.265 -0.322 2.777 1.00 . A A . 11 HIS HE1 1 1 2 622 1 1 11 HIS N N 7.670 -0.060 1.877 1.00 . A A . 11 HIS N 1 1 2 623 1 1 11 HIS ND1 N 12.436 -0.014 1.798 1.00 . A A . 11 HIS ND1 1 1 2 624 1 1 11 HIS NE2 N 12.499 -1.038 3.694 1.00 . A A . 11 HIS NE2 1 1 2 625 1 1 11 HIS O O 8.936 3.168 1.857 1.00 . A A . 11 HIS O 1 1 2 626 1 1 12 LEU C C 6.040 3.422 -0.603 1.00 . A A . 12 LEU C 1 1 2 627 1 1 12 LEU CA C 7.573 3.318 -0.587 1.00 . A A . 12 LEU CA 1 1 2 628 1 1 12 LEU CB C 8.143 3.219 -2.026 1.00 . A A . 12 LEU CB 1 1 2 629 1 1 12 LEU CD1 C 10.212 2.846 -3.421 1.00 . A A . 12 LEU CD1 1 1 2 630 1 1 12 LEU CD2 C 10.299 4.493 -1.515 1.00 . A A . 12 LEU CD2 1 1 2 631 1 1 12 LEU CG C 9.699 3.147 -1.998 1.00 . A A . 12 LEU CG 1 1 2 632 1 1 12 LEU H H 7.723 1.207 -0.208 1.00 . A A . 12 LEU H 1 1 2 633 1 1 12 LEU HA H 7.970 4.195 -0.091 1.00 . A A . 12 LEU HA 1 1 2 634 1 1 12 LEU HB2 H 7.752 2.331 -2.503 1.00 . A A . 12 LEU HB2 1 1 2 635 1 1 12 LEU HB3 H 7.827 4.078 -2.601 1.00 . A A . 12 LEU HB3 1 1 2 636 1 1 12 LEU HD11 H 9.801 1.911 -3.773 1.00 . A A . 12 LEU HD11 1 1 2 637 1 1 12 LEU HD12 H 9.921 3.634 -4.100 1.00 . A A . 12 LEU HD12 1 1 2 638 1 1 12 LEU HD13 H 11.289 2.768 -3.419 1.00 . A A . 12 LEU HD13 1 1 2 639 1 1 12 LEU HD21 H 9.702 5.325 -1.861 1.00 . A A . 12 LEU HD21 1 1 2 640 1 1 12 LEU HD22 H 10.334 4.516 -0.436 1.00 . A A . 12 LEU HD22 1 1 2 641 1 1 12 LEU HD23 H 11.306 4.613 -1.891 1.00 . A A . 12 LEU HD23 1 1 2 642 1 1 12 LEU HG H 10.019 2.353 -1.339 1.00 . A A . 12 LEU HG 1 1 2 643 1 1 12 LEU N N 7.957 2.084 0.164 1.00 . A A . 12 LEU N 1 1 2 644 1 1 12 LEU O O 5.396 3.235 -1.618 1.00 . A A . 12 LEU O 1 1 2 645 1 1 13 ASP C C 3.650 5.306 0.360 1.00 . A A . 13 ASP C 1 1 2 646 1 1 13 ASP CA C 4.029 3.861 0.720 1.00 . A A . 13 ASP CA 1 1 2 647 1 1 13 ASP CB C 3.644 3.519 2.195 1.00 . A A . 13 ASP CB 1 1 2 648 1 1 13 ASP CG C 4.578 4.208 3.212 1.00 . A A . 13 ASP CG 1 1 2 649 1 1 13 ASP H H 6.099 3.854 1.328 1.00 . A A . 13 ASP H 1 1 2 650 1 1 13 ASP HA H 3.523 3.184 0.047 1.00 . A A . 13 ASP HA 1 1 2 651 1 1 13 ASP HB2 H 2.623 3.824 2.387 1.00 . A A . 13 ASP HB2 1 1 2 652 1 1 13 ASP HB3 H 3.706 2.449 2.339 1.00 . A A . 13 ASP HB3 1 1 2 653 1 1 13 ASP N N 5.509 3.721 0.557 1.00 . A A . 13 ASP N 1 1 2 654 1 1 13 ASP O O 3.465 6.161 1.205 1.00 . A A . 13 ASP O 1 1 2 655 1 1 13 ASP OD1 O 5.671 3.696 3.392 1.00 . A A . 13 ASP OD1 1 1 2 656 1 1 13 ASP OD2 O 4.138 5.211 3.753 1.00 . A A . 13 ASP OD2 1 1 2 657 1 1 14 ASP C C 1.676 7.025 -1.645 1.00 . A A . 14 ASP C 1 1 2 658 1 1 14 ASP CA C 3.200 6.847 -1.499 1.00 . A A . 14 ASP CA 1 1 2 659 1 1 14 ASP CB C 3.904 6.951 -2.864 1.00 . A A . 14 ASP CB 1 1 2 660 1 1 14 ASP CG C 3.588 5.700 -3.713 1.00 . A A . 14 ASP CG 1 1 2 661 1 1 14 ASP H H 3.714 4.778 -1.551 1.00 . A A . 14 ASP H 1 1 2 662 1 1 14 ASP HA H 3.574 7.624 -0.844 1.00 . A A . 14 ASP HA 1 1 2 663 1 1 14 ASP HB2 H 3.561 7.823 -3.391 1.00 . A A . 14 ASP HB2 1 1 2 664 1 1 14 ASP HB3 H 4.973 7.033 -2.725 1.00 . A A . 14 ASP HB3 1 1 2 665 1 1 14 ASP N N 3.552 5.515 -0.927 1.00 . A A . 14 ASP N 1 1 2 666 1 1 14 ASP O O 1.221 7.880 -2.383 1.00 . A A . 14 ASP O 1 1 2 667 1 1 14 ASP OD1 O 2.494 5.666 -4.255 1.00 . A A . 14 ASP OD1 1 1 2 668 1 1 14 ASP OD2 O 4.459 4.846 -3.769 1.00 . A A . 14 ASP OD2 1 1 2 669 1 1 15 CYS C C -1.074 7.595 -0.399 1.00 . A A . 15 CYS C 1 1 2 670 1 1 15 CYS CA C -0.555 6.293 -0.998 1.00 . A A . 15 CYS CA 1 1 2 671 1 1 15 CYS CB C -1.125 5.102 -0.246 1.00 . A A . 15 CYS CB 1 1 2 672 1 1 15 CYS H H 1.338 5.538 -0.354 1.00 . A A . 15 CYS H 1 1 2 673 1 1 15 CYS HA H -0.874 6.228 -2.019 1.00 . A A . 15 CYS HA 1 1 2 674 1 1 15 CYS HB2 H -0.769 5.124 0.772 1.00 . A A . 15 CYS HB2 1 1 2 675 1 1 15 CYS HB3 H -2.196 5.192 -0.220 1.00 . A A . 15 CYS HB3 1 1 2 676 1 1 15 CYS N N 0.930 6.212 -0.936 1.00 . A A . 15 CYS N 1 1 2 677 1 1 15 CYS O O -0.446 8.183 0.461 1.00 . A A . 15 CYS O 1 1 2 678 1 1 15 CYS SG S -0.719 3.475 -0.914 1.00 . A A . 15 CYS SG 1 1 2 679 1 1 16 CYS C C -3.183 9.033 1.083 1.00 . A A . 16 CYS C 1 1 2 680 1 1 16 CYS CA C -2.862 9.259 -0.403 1.00 . A A . 16 CYS CA 1 1 2 681 1 1 16 CYS CB C -4.142 9.504 -1.219 1.00 . A A . 16 CYS CB 1 1 2 682 1 1 16 CYS H H -2.660 7.469 -1.586 1.00 . A A . 16 CYS H 1 1 2 683 1 1 16 CYS HA H -2.168 10.080 -0.497 1.00 . A A . 16 CYS HA 1 1 2 684 1 1 16 CYS HB2 H -4.026 9.051 -2.189 1.00 . A A . 16 CYS HB2 1 1 2 685 1 1 16 CYS HB3 H -4.976 9.016 -0.735 1.00 . A A . 16 CYS HB3 1 1 2 686 1 1 16 CYS N N -2.219 8.000 -0.891 1.00 . A A . 16 CYS N 1 1 2 687 1 1 16 CYS O O -3.111 9.934 1.897 1.00 . A A . 16 CYS O 1 1 2 688 1 1 16 CYS SG S -4.603 11.230 -1.499 1.00 . A A . 16 CYS SG 1 1 2 689 1 1 17 SER C C -2.566 6.961 3.450 1.00 . A A . 17 SER C 1 1 2 690 1 1 17 SER CA C -3.871 7.342 2.732 1.00 . A A . 17 SER CA 1 1 2 691 1 1 17 SER CB C -4.790 6.123 2.616 1.00 . A A . 17 SER CB 1 1 2 692 1 1 17 SER H H -3.562 7.131 0.649 1.00 . A A . 17 SER H 1 1 2 693 1 1 17 SER HA H -4.361 8.141 3.270 1.00 . A A . 17 SER HA 1 1 2 694 1 1 17 SER HB2 H -5.021 5.730 3.588 1.00 . A A . 17 SER HB2 1 1 2 695 1 1 17 SER HB3 H -5.702 6.354 2.084 1.00 . A A . 17 SER HB3 1 1 2 696 1 1 17 SER HG H -3.360 5.606 1.384 1.00 . A A . 17 SER HG 1 1 2 697 1 1 17 SER N N -3.526 7.799 1.362 1.00 . A A . 17 SER N 1 1 2 698 1 1 17 SER O O -2.521 6.902 4.664 1.00 . A A . 17 SER O 1 1 2 699 1 1 17 SER OG O -4.040 5.155 1.890 1.00 . A A . 17 SER OG 1 1 2 700 1 1 18 ARG C C -0.227 4.903 3.762 1.00 . A A . 18 ARG C 1 1 2 701 1 1 18 ARG CA C -0.194 6.321 3.150 1.00 . A A . 18 ARG CA 1 1 2 702 1 1 18 ARG CB C 0.280 7.367 4.212 1.00 . A A . 18 ARG CB 1 1 2 703 1 1 18 ARG CD C 1.874 9.300 3.835 1.00 . A A . 18 ARG CD 1 1 2 704 1 1 18 ARG CG C 1.751 7.767 3.944 1.00 . A A . 18 ARG CG 1 1 2 705 1 1 18 ARG CZ C 1.585 10.656 1.842 1.00 . A A . 18 ARG CZ 1 1 2 706 1 1 18 ARG H H -1.677 6.786 1.683 1.00 . A A . 18 ARG H 1 1 2 707 1 1 18 ARG HA H 0.471 6.303 2.300 1.00 . A A . 18 ARG HA 1 1 2 708 1 1 18 ARG HB2 H -0.350 8.243 4.169 1.00 . A A . 18 ARG HB2 1 1 2 709 1 1 18 ARG HB3 H 0.202 6.953 5.206 1.00 . A A . 18 ARG HB3 1 1 2 710 1 1 18 ARG HD2 H 1.480 9.782 4.718 1.00 . A A . 18 ARG HD2 1 1 2 711 1 1 18 ARG HD3 H 2.910 9.582 3.711 1.00 . A A . 18 ARG HD3 1 1 2 712 1 1 18 ARG HE H 0.203 9.374 2.468 1.00 . A A . 18 ARG HE 1 1 2 713 1 1 18 ARG HG2 H 2.359 7.415 4.763 1.00 . A A . 18 ARG HG2 1 1 2 714 1 1 18 ARG HG3 H 2.115 7.320 3.033 1.00 . A A . 18 ARG HG3 1 1 2 715 1 1 18 ARG HH11 H 1.391 12.127 3.187 1.00 . A A . 18 ARG HH11 1 1 2 716 1 1 18 ARG HH12 H 2.065 12.592 1.660 1.00 . A A . 18 ARG HH12 1 1 2 717 1 1 18 ARG HH21 H 1.862 9.341 0.360 1.00 . A A . 18 ARG HH21 1 1 2 718 1 1 18 ARG HH22 H 2.340 10.971 0.017 1.00 . A A . 18 ARG HH22 1 1 2 719 1 1 18 ARG N N -1.550 6.713 2.652 1.00 . A A . 18 ARG N 1 1 2 720 1 1 18 ARG NE N 1.089 9.754 2.645 1.00 . A A . 18 ARG NE 1 1 2 721 1 1 18 ARG NH1 N 1.688 11.889 2.262 1.00 . A A . 18 ARG NH1 1 1 2 722 1 1 18 ARG NH2 N 1.957 10.295 0.646 1.00 . A A . 18 ARG NH2 1 1 2 723 1 1 18 ARG O O 0.766 4.435 4.285 1.00 . A A . 18 ARG O 1 1 2 724 1 1 19 LYS C C -1.733 1.901 3.036 1.00 . A A . 19 LYS C 1 1 2 725 1 1 19 LYS CA C -1.590 2.897 4.202 1.00 . A A . 19 LYS CA 1 1 2 726 1 1 19 LYS CB C -2.864 2.928 5.057 1.00 . A A . 19 LYS CB 1 1 2 727 1 1 19 LYS CD C -3.844 4.203 7.044 1.00 . A A . 19 LYS CD 1 1 2 728 1 1 19 LYS CE C -4.671 3.112 7.746 1.00 . A A . 19 LYS CE 1 1 2 729 1 1 19 LYS CG C -2.559 3.590 6.428 1.00 . A A . 19 LYS CG 1 1 2 730 1 1 19 LYS H H -2.140 4.701 3.233 1.00 . A A . 19 LYS H 1 1 2 731 1 1 19 LYS HA H -0.742 2.605 4.807 1.00 . A A . 19 LYS HA 1 1 2 732 1 1 19 LYS HB2 H -3.631 3.483 4.535 1.00 . A A . 19 LYS HB2 1 1 2 733 1 1 19 LYS HB3 H -3.216 1.923 5.197 1.00 . A A . 19 LYS HB3 1 1 2 734 1 1 19 LYS HD2 H -3.561 4.948 7.774 1.00 . A A . 19 LYS HD2 1 1 2 735 1 1 19 LYS HD3 H -4.441 4.685 6.283 1.00 . A A . 19 LYS HD3 1 1 2 736 1 1 19 LYS HE2 H -5.116 2.446 7.021 1.00 . A A . 19 LYS HE2 1 1 2 737 1 1 19 LYS HE3 H -4.050 2.538 8.418 1.00 . A A . 19 LYS HE3 1 1 2 738 1 1 19 LYS HG2 H -2.151 2.849 7.099 1.00 . A A . 19 LYS HG2 1 1 2 739 1 1 19 LYS HG3 H -1.827 4.375 6.307 1.00 . A A . 19 LYS HG3 1 1 2 740 1 1 19 LYS HZ1 H -6.113 4.587 8.044 1.00 . A A . 19 LYS HZ1 1 1 2 741 1 1 19 LYS HZ2 H -6.538 3.064 8.670 1.00 . A A . 19 LYS HZ2 1 1 2 742 1 1 19 LYS HZ3 H -5.388 4.023 9.474 1.00 . A A . 19 LYS HZ3 1 1 2 743 1 1 19 LYS N N -1.375 4.272 3.667 1.00 . A A . 19 LYS N 1 1 2 744 1 1 19 LYS NZ N -5.761 3.744 8.543 1.00 . A A . 19 LYS NZ 1 1 2 745 1 1 19 LYS O O -2.548 2.108 2.156 1.00 . A A . 19 LYS O 1 1 2 746 1 1 20 CYS C C -1.280 -1.546 2.668 1.00 . A A . 20 CYS C 1 1 2 747 1 1 20 CYS CA C -0.951 -0.194 2.017 1.00 . A A . 20 CYS CA 1 1 2 748 1 1 20 CYS CB C 0.425 -0.207 1.373 1.00 . A A . 20 CYS CB 1 1 2 749 1 1 20 CYS H H -0.289 0.744 3.791 1.00 . A A . 20 CYS H 1 1 2 750 1 1 20 CYS HA H -1.705 0.041 1.280 1.00 . A A . 20 CYS HA 1 1 2 751 1 1 20 CYS HB2 H 1.173 -0.276 2.149 1.00 . A A . 20 CYS HB2 1 1 2 752 1 1 20 CYS HB3 H 0.503 -1.087 0.770 1.00 . A A . 20 CYS HB3 1 1 2 753 1 1 20 CYS N N -0.935 0.860 3.068 1.00 . A A . 20 CYS N 1 1 2 754 1 1 20 CYS O O -0.556 -2.009 3.530 1.00 . A A . 20 CYS O 1 1 2 755 1 1 20 CYS SG S 0.807 1.251 0.373 1.00 . A A . 20 CYS SG 1 1 2 756 1 1 21 ASN C C -1.864 -4.628 2.376 1.00 . A A . 21 ASN C 1 1 2 757 1 1 21 ASN CA C -2.792 -3.467 2.794 1.00 . A A . 21 ASN CA 1 1 2 758 1 1 21 ASN CB C -4.242 -3.754 2.320 1.00 . A A . 21 ASN CB 1 1 2 759 1 1 21 ASN CG C -4.397 -3.494 0.811 1.00 . A A . 21 ASN CG 1 1 2 760 1 1 21 ASN H H -2.897 -1.703 1.535 1.00 . A A . 21 ASN H 1 1 2 761 1 1 21 ASN HA H -2.783 -3.400 3.872 1.00 . A A . 21 ASN HA 1 1 2 762 1 1 21 ASN HB2 H -4.506 -4.781 2.522 1.00 . A A . 21 ASN HB2 1 1 2 763 1 1 21 ASN HB3 H -4.930 -3.113 2.855 1.00 . A A . 21 ASN HB3 1 1 2 764 1 1 21 ASN HD21 H -2.623 -4.252 0.363 1.00 . A A . 21 ASN HD21 1 1 2 765 1 1 21 ASN HD22 H -3.514 -3.684 -0.955 1.00 . A A . 21 ASN HD22 1 1 2 766 1 1 21 ASN N N -2.363 -2.140 2.235 1.00 . A A . 21 ASN N 1 1 2 767 1 1 21 ASN ND2 N -3.433 -3.838 0.006 1.00 . A A . 21 ASN ND2 1 1 2 768 1 1 21 ASN O O -0.931 -4.438 1.619 1.00 . A A . 21 ASN O 1 1 2 769 1 1 21 ASN OD1 O -5.396 -2.977 0.352 1.00 . A A . 21 ASN OD1 1 1 2 770 1 1 22 ARG C C -1.433 -7.422 1.106 1.00 . A A . 22 ARG C 1 1 2 771 1 1 22 ARG CA C -1.372 -7.027 2.595 1.00 . A A . 22 ARG CA 1 1 2 772 1 1 22 ARG CB C -1.918 -8.174 3.483 1.00 . A A . 22 ARG CB 1 1 2 773 1 1 22 ARG CD C -3.839 -9.745 3.951 1.00 . A A . 22 ARG CD 1 1 2 774 1 1 22 ARG CG C -3.321 -8.638 3.015 1.00 . A A . 22 ARG CG 1 1 2 775 1 1 22 ARG CZ C -4.790 -9.845 6.181 1.00 . A A . 22 ARG CZ 1 1 2 776 1 1 22 ARG H H -2.913 -5.892 3.501 1.00 . A A . 22 ARG H 1 1 2 777 1 1 22 ARG HA H -0.355 -6.823 2.871 1.00 . A A . 22 ARG HA 1 1 2 778 1 1 22 ARG HB2 H -1.230 -9.002 3.444 1.00 . A A . 22 ARG HB2 1 1 2 779 1 1 22 ARG HB3 H -1.975 -7.832 4.507 1.00 . A A . 22 ARG HB3 1 1 2 780 1 1 22 ARG HD2 H -4.606 -10.324 3.457 1.00 . A A . 22 ARG HD2 1 1 2 781 1 1 22 ARG HD3 H -3.040 -10.407 4.254 1.00 . A A . 22 ARG HD3 1 1 2 782 1 1 22 ARG HE H -4.542 -8.133 5.203 1.00 . A A . 22 ARG HE 1 1 2 783 1 1 22 ARG HG2 H -4.003 -7.800 3.015 1.00 . A A . 22 ARG HG2 1 1 2 784 1 1 22 ARG HG3 H -3.261 -9.034 2.012 1.00 . A A . 22 ARG HG3 1 1 2 785 1 1 22 ARG HH11 H -6.293 -10.710 5.178 1.00 . A A . 22 ARG HH11 1 1 2 786 1 1 22 ARG HH12 H -6.089 -11.227 6.819 1.00 . A A . 22 ARG HH12 1 1 2 787 1 1 22 ARG HH21 H -3.352 -9.116 7.366 1.00 . A A . 22 ARG HH21 1 1 2 788 1 1 22 ARG HH22 H -4.386 -10.306 8.085 1.00 . A A . 22 ARG HH22 1 1 2 789 1 1 22 ARG N N -2.159 -5.798 2.893 1.00 . A A . 22 ARG N 1 1 2 790 1 1 22 ARG NE N -4.428 -9.106 5.166 1.00 . A A . 22 ARG NE 1 1 2 791 1 1 22 ARG NH1 N -5.804 -10.657 6.048 1.00 . A A . 22 ARG NH1 1 1 2 792 1 1 22 ARG NH2 N -4.124 -9.747 7.298 1.00 . A A . 22 ARG NH2 1 1 2 793 1 1 22 ARG O O -0.697 -8.283 0.663 1.00 . A A . 22 ARG O 1 1 2 794 1 1 23 PHE C C -1.530 -6.143 -1.872 1.00 . A A . 23 PHE C 1 1 2 795 1 1 23 PHE CA C -2.485 -7.041 -1.071 1.00 . A A . 23 PHE CA 1 1 2 796 1 1 23 PHE CB C -3.950 -6.744 -1.454 1.00 . A A . 23 PHE CB 1 1 2 797 1 1 23 PHE CD1 C -5.237 -8.391 -0.024 1.00 . A A . 23 PHE CD1 1 1 2 798 1 1 23 PHE CD2 C -5.176 -8.751 -2.382 1.00 . A A . 23 PHE CD2 1 1 2 799 1 1 23 PHE CE1 C -6.015 -9.520 0.128 1.00 . A A . 23 PHE CE1 1 1 2 800 1 1 23 PHE CE2 C -5.955 -9.878 -2.232 1.00 . A A . 23 PHE CE2 1 1 2 801 1 1 23 PHE CG C -4.812 -7.999 -1.281 1.00 . A A . 23 PHE CG 1 1 2 802 1 1 23 PHE CZ C -6.375 -10.264 -0.976 1.00 . A A . 23 PHE CZ 1 1 2 803 1 1 23 PHE H H -2.870 -6.081 0.810 1.00 . A A . 23 PHE H 1 1 2 804 1 1 23 PHE HA H -2.244 -8.074 -1.276 1.00 . A A . 23 PHE HA 1 1 2 805 1 1 23 PHE HB2 H -4.357 -5.964 -0.826 1.00 . A A . 23 PHE HB2 1 1 2 806 1 1 23 PHE HB3 H -4.012 -6.423 -2.482 1.00 . A A . 23 PHE HB3 1 1 2 807 1 1 23 PHE HD1 H -4.960 -7.812 0.842 1.00 . A A . 23 PHE HD1 1 1 2 808 1 1 23 PHE HD2 H -4.849 -8.455 -3.368 1.00 . A A . 23 PHE HD2 1 1 2 809 1 1 23 PHE HE1 H -6.343 -9.820 1.112 1.00 . A A . 23 PHE HE1 1 1 2 810 1 1 23 PHE HE2 H -6.234 -10.459 -3.099 1.00 . A A . 23 PHE HE2 1 1 2 811 1 1 23 PHE HZ H -6.984 -11.148 -0.859 1.00 . A A . 23 PHE HZ 1 1 2 812 1 1 23 PHE N N -2.312 -6.768 0.389 1.00 . A A . 23 PHE N 1 1 2 813 1 1 23 PHE O O -1.601 -6.084 -3.085 1.00 . A A . 23 PHE O 1 1 2 814 1 1 24 ASN C C -0.333 -3.483 -2.623 1.00 . A A . 24 ASN C 1 1 2 815 1 1 24 ASN CA C 0.351 -4.550 -1.764 1.00 . A A . 24 ASN CA 1 1 2 816 1 1 24 ASN CB C 1.347 -5.389 -2.621 1.00 . A A . 24 ASN CB 1 1 2 817 1 1 24 ASN CG C 1.678 -6.713 -1.917 1.00 . A A . 24 ASN CG 1 1 2 818 1 1 24 ASN H H -0.666 -5.579 -0.180 1.00 . A A . 24 ASN H 1 1 2 819 1 1 24 ASN HA H 0.867 -4.047 -0.961 1.00 . A A . 24 ASN HA 1 1 2 820 1 1 24 ASN HB2 H 0.924 -5.607 -3.590 1.00 . A A . 24 ASN HB2 1 1 2 821 1 1 24 ASN HB3 H 2.265 -4.836 -2.760 1.00 . A A . 24 ASN HB3 1 1 2 822 1 1 24 ASN HD21 H 1.488 -7.776 -3.579 1.00 . A A . 24 ASN HD21 1 1 2 823 1 1 24 ASN HD22 H 1.895 -8.666 -2.193 1.00 . A A . 24 ASN HD22 1 1 2 824 1 1 24 ASN N N -0.658 -5.474 -1.154 1.00 . A A . 24 ASN N 1 1 2 825 1 1 24 ASN ND2 N 1.689 -7.810 -2.622 1.00 . A A . 24 ASN ND2 1 1 2 826 1 1 24 ASN O O 0.156 -3.078 -3.660 1.00 . A A . 24 ASN O 1 1 2 827 1 1 24 ASN OD1 O 1.925 -6.763 -0.728 1.00 . A A . 24 ASN OD1 1 1 2 828 1 1 25 LYS C C -2.653 -0.993 -1.715 1.00 . A A . 25 LYS C 1 1 2 829 1 1 25 LYS CA C -2.315 -2.043 -2.778 1.00 . A A . 25 LYS CA 1 1 2 830 1 1 25 LYS CB C -3.581 -2.724 -3.293 1.00 . A A . 25 LYS CB 1 1 2 831 1 1 25 LYS CD C -4.683 -3.789 -5.299 1.00 . A A . 25 LYS CD 1 1 2 832 1 1 25 LYS CE C -4.997 -5.176 -4.714 1.00 . A A . 25 LYS CE 1 1 2 833 1 1 25 LYS CG C -3.351 -3.254 -4.720 1.00 . A A . 25 LYS CG 1 1 2 834 1 1 25 LYS H H -1.785 -3.464 -1.282 1.00 . A A . 25 LYS H 1 1 2 835 1 1 25 LYS HA H -1.765 -1.568 -3.576 1.00 . A A . 25 LYS HA 1 1 2 836 1 1 25 LYS HB2 H -3.843 -3.551 -2.654 1.00 . A A . 25 LYS HB2 1 1 2 837 1 1 25 LYS HB3 H -4.390 -2.019 -3.265 1.00 . A A . 25 LYS HB3 1 1 2 838 1 1 25 LYS HD2 H -5.493 -3.114 -5.060 1.00 . A A . 25 LYS HD2 1 1 2 839 1 1 25 LYS HD3 H -4.603 -3.858 -6.373 1.00 . A A . 25 LYS HD3 1 1 2 840 1 1 25 LYS HE2 H -4.163 -5.848 -4.859 1.00 . A A . 25 LYS HE2 1 1 2 841 1 1 25 LYS HE3 H -5.209 -5.095 -3.659 1.00 . A A . 25 LYS HE3 1 1 2 842 1 1 25 LYS HG2 H -2.979 -2.458 -5.348 1.00 . A A . 25 LYS HG2 1 1 2 843 1 1 25 LYS HG3 H -2.611 -4.043 -4.699 1.00 . A A . 25 LYS HG3 1 1 2 844 1 1 25 LYS HZ1 H -6.752 -4.996 -5.826 1.00 . A A . 25 LYS HZ1 1 1 2 845 1 1 25 LYS HZ2 H -5.888 -6.431 -6.116 1.00 . A A . 25 LYS HZ2 1 1 2 846 1 1 25 LYS HZ3 H -6.778 -6.250 -4.680 1.00 . A A . 25 LYS HZ3 1 1 2 847 1 1 25 LYS N N -1.468 -3.076 -2.123 1.00 . A A . 25 LYS N 1 1 2 848 1 1 25 LYS NZ N -6.194 -5.757 -5.386 1.00 . A A . 25 LYS NZ 1 1 2 849 1 1 25 LYS O O -2.564 -1.278 -0.536 1.00 . A A . 25 LYS O 1 1 2 850 1 1 26 CYS C C -4.716 0.930 -0.488 1.00 . A A . 26 CYS C 1 1 2 851 1 1 26 CYS CA C -3.373 1.242 -1.146 1.00 . A A . 26 CYS CA 1 1 2 852 1 1 26 CYS CB C -3.434 2.590 -1.862 1.00 . A A . 26 CYS CB 1 1 2 853 1 1 26 CYS H H -3.102 0.399 -3.090 1.00 . A A . 26 CYS H 1 1 2 854 1 1 26 CYS HA H -2.613 1.255 -0.377 1.00 . A A . 26 CYS HA 1 1 2 855 1 1 26 CYS HB2 H -4.143 2.517 -2.670 1.00 . A A . 26 CYS HB2 1 1 2 856 1 1 26 CYS HB3 H -3.811 3.315 -1.166 1.00 . A A . 26 CYS HB3 1 1 2 857 1 1 26 CYS N N -3.032 0.188 -2.138 1.00 . A A . 26 CYS N 1 1 2 858 1 1 26 CYS O O -5.452 0.067 -0.929 1.00 . A A . 26 CYS O 1 1 2 859 1 1 26 CYS SG S -1.893 3.245 -2.543 1.00 . A A . 26 CYS SG 1 1 2 860 1 1 27 VAL C C -7.002 2.843 1.430 1.00 . A A . 27 VAL C 1 1 2 861 1 1 27 VAL CA C -6.244 1.497 1.339 1.00 . A A . 27 VAL CA 1 1 2 862 1 1 27 VAL CB C -5.840 0.949 2.742 1.00 . A A . 27 VAL CB 1 1 2 863 1 1 27 VAL CG1 C -7.088 0.460 3.518 1.00 . A A . 27 VAL CG1 1 1 2 864 1 1 27 VAL CG2 C -4.865 -0.246 2.573 1.00 . A A . 27 VAL CG2 1 1 2 865 1 1 27 VAL H H -4.328 2.337 0.844 1.00 . A A . 27 VAL H 1 1 2 866 1 1 27 VAL HA H -6.884 0.783 0.836 1.00 . A A . 27 VAL HA 1 1 2 867 1 1 27 VAL HB H -5.346 1.736 3.293 1.00 . A A . 27 VAL HB 1 1 2 868 1 1 27 VAL HG11 H -7.860 0.132 2.836 1.00 . A A . 27 VAL HG11 1 1 2 869 1 1 27 VAL HG12 H -6.835 -0.364 4.170 1.00 . A A . 27 VAL HG12 1 1 2 870 1 1 27 VAL HG13 H -7.481 1.264 4.125 1.00 . A A . 27 VAL HG13 1 1 2 871 1 1 27 VAL HG21 H -5.288 -0.970 1.893 1.00 . A A . 27 VAL HG21 1 1 2 872 1 1 27 VAL HG22 H -3.921 0.086 2.174 1.00 . A A . 27 VAL HG22 1 1 2 873 1 1 27 VAL HG23 H -4.682 -0.726 3.523 1.00 . A A . 27 VAL HG23 1 1 2 874 1 1 27 VAL N N -4.978 1.661 0.560 1.00 . A A . 27 VAL N 1 1 2 875 1 1 27 VAL O O -8.132 2.800 1.889 1.00 . A A . 27 VAL O 1 1 2 876 1 1 27 VAL OXT O -6.421 3.842 1.039 1.00 . A A . 27 VAL OXT 1 1 3 877 1 1 1 CYS C C -1.509 10.369 -4.350 1.00 . A A . 1 CYS C 1 1 3 878 1 1 1 CYS CA C -0.738 11.355 -3.450 1.00 . A A . 1 CYS CA 1 1 3 879 1 1 1 CYS CB C -1.682 12.203 -2.544 1.00 . A A . 1 CYS CB 1 1 3 880 1 1 1 CYS H1 H -0.727 12.754 -4.990 1.00 . A A . 1 CYS H1 1 1 3 881 1 1 1 CYS H2 H 0.501 12.979 -3.838 1.00 . A A . 1 CYS H2 1 1 3 882 1 1 1 CYS H3 H 0.624 11.724 -4.977 1.00 . A A . 1 CYS H3 1 1 3 883 1 1 1 CYS HA H -0.006 10.818 -2.863 1.00 . A A . 1 CYS HA 1 1 3 884 1 1 1 CYS HB2 H -1.559 11.858 -1.531 1.00 . A A . 1 CYS HB2 1 1 3 885 1 1 1 CYS HB3 H -1.321 13.221 -2.565 1.00 . A A . 1 CYS HB3 1 1 3 886 1 1 1 CYS N N -0.032 12.273 -4.384 1.00 . A A . 1 CYS N 1 1 3 887 1 1 1 CYS O O -2.402 10.754 -5.080 1.00 . A A . 1 CYS O 1 1 3 888 1 1 1 CYS SG S -3.459 12.285 -2.879 1.00 . A A . 1 CYS SG 1 1 3 889 1 1 2 ARG C C -3.180 7.654 -4.600 1.00 . A A . 2 ARG C 1 1 3 890 1 1 2 ARG CA C -1.781 8.041 -5.084 1.00 . A A . 2 ARG CA 1 1 3 891 1 1 2 ARG CB C -0.863 6.796 -5.068 1.00 . A A . 2 ARG CB 1 1 3 892 1 1 2 ARG CD C -0.287 5.507 -7.179 1.00 . A A . 2 ARG CD 1 1 3 893 1 1 2 ARG CG C 0.039 6.759 -6.332 1.00 . A A . 2 ARG CG 1 1 3 894 1 1 2 ARG CZ C -1.826 6.208 -8.929 1.00 . A A . 2 ARG CZ 1 1 3 895 1 1 2 ARG H H -0.412 8.876 -3.649 1.00 . A A . 2 ARG H 1 1 3 896 1 1 2 ARG HA H -1.880 8.408 -6.095 1.00 . A A . 2 ARG HA 1 1 3 897 1 1 2 ARG HB2 H -0.227 6.837 -4.201 1.00 . A A . 2 ARG HB2 1 1 3 898 1 1 2 ARG HB3 H -1.458 5.898 -4.987 1.00 . A A . 2 ARG HB3 1 1 3 899 1 1 2 ARG HD2 H 0.565 4.843 -7.205 1.00 . A A . 2 ARG HD2 1 1 3 900 1 1 2 ARG HD3 H -1.134 4.966 -6.781 1.00 . A A . 2 ARG HD3 1 1 3 901 1 1 2 ARG HE H 0.126 6.004 -9.237 1.00 . A A . 2 ARG HE 1 1 3 902 1 1 2 ARG HG2 H -0.087 7.651 -6.928 1.00 . A A . 2 ARG HG2 1 1 3 903 1 1 2 ARG HG3 H 1.073 6.715 -6.028 1.00 . A A . 2 ARG HG3 1 1 3 904 1 1 2 ARG HH11 H -1.811 7.985 -8.009 1.00 . A A . 2 ARG HH11 1 1 3 905 1 1 2 ARG HH12 H -3.287 7.571 -8.815 1.00 . A A . 2 ARG HH12 1 1 3 906 1 1 2 ARG HH21 H -2.064 4.479 -9.913 1.00 . A A . 2 ARG HH21 1 1 3 907 1 1 2 ARG HH22 H -3.432 5.541 -9.919 1.00 . A A . 2 ARG HH22 1 1 3 908 1 1 2 ARG N N -1.133 9.116 -4.265 1.00 . A A . 2 ARG N 1 1 3 909 1 1 2 ARG NE N -0.596 5.932 -8.579 1.00 . A A . 2 ARG NE 1 1 3 910 1 1 2 ARG NH1 N -2.349 7.344 -8.555 1.00 . A A . 2 ARG NH1 1 1 3 911 1 1 2 ARG NH2 N -2.492 5.342 -9.642 1.00 . A A . 2 ARG NH2 1 1 3 912 1 1 2 ARG O O -3.558 7.924 -3.479 1.00 . A A . 2 ARG O 1 1 3 913 1 1 3 ILE C C -5.291 5.278 -4.326 1.00 . A A . 3 ILE C 1 1 3 914 1 1 3 ILE CA C -5.292 6.567 -5.182 1.00 . A A . 3 ILE CA 1 1 3 915 1 1 3 ILE CB C -6.026 6.313 -6.517 1.00 . A A . 3 ILE CB 1 1 3 916 1 1 3 ILE CD1 C -5.937 4.420 -8.202 1.00 . A A . 3 ILE CD1 1 1 3 917 1 1 3 ILE CG1 C -5.117 5.513 -7.509 1.00 . A A . 3 ILE CG1 1 1 3 918 1 1 3 ILE CG2 C -6.422 7.669 -7.144 1.00 . A A . 3 ILE CG2 1 1 3 919 1 1 3 ILE H H -3.541 6.827 -6.375 1.00 . A A . 3 ILE H 1 1 3 920 1 1 3 ILE HA H -5.785 7.358 -4.636 1.00 . A A . 3 ILE HA 1 1 3 921 1 1 3 ILE HB H -6.922 5.753 -6.311 1.00 . A A . 3 ILE HB 1 1 3 922 1 1 3 ILE HD11 H -6.794 4.855 -8.695 1.00 . A A . 3 ILE HD11 1 1 3 923 1 1 3 ILE HD12 H -5.330 3.914 -8.936 1.00 . A A . 3 ILE HD12 1 1 3 924 1 1 3 ILE HD13 H -6.276 3.699 -7.473 1.00 . A A . 3 ILE HD13 1 1 3 925 1 1 3 ILE HG12 H -4.706 6.171 -8.259 1.00 . A A . 3 ILE HG12 1 1 3 926 1 1 3 ILE HG13 H -4.296 5.048 -6.985 1.00 . A A . 3 ILE HG13 1 1 3 927 1 1 3 ILE HG21 H -5.547 8.285 -7.297 1.00 . A A . 3 ILE HG21 1 1 3 928 1 1 3 ILE HG22 H -6.909 7.513 -8.096 1.00 . A A . 3 ILE HG22 1 1 3 929 1 1 3 ILE HG23 H -7.105 8.190 -6.490 1.00 . A A . 3 ILE HG23 1 1 3 930 1 1 3 ILE N N -3.904 7.019 -5.485 1.00 . A A . 3 ILE N 1 1 3 931 1 1 3 ILE O O -4.317 4.550 -4.338 1.00 . A A . 3 ILE O 1 1 3 932 1 1 4 HYP C C -6.516 2.528 -3.974 1.00 . A A . 4 HYP C 1 1 3 933 1 1 4 HYP CA C -6.634 3.700 -2.988 1.00 . A A . 4 HYP CA 1 1 3 934 1 1 4 HYP CB C -8.043 3.787 -2.387 1.00 . A A . 4 HYP CB 1 1 3 935 1 1 4 HYP CD C -7.443 6.026 -3.331 1.00 . A A . 4 HYP CD 1 1 3 936 1 1 4 HYP CG C -8.407 5.293 -2.372 1.00 . A A . 4 HYP CG 1 1 3 937 1 1 4 HYP HA H -5.918 3.554 -2.195 1.00 . A A . 4 HYP HA 1 1 3 938 1 1 4 HYP HB2 H -8.070 3.356 -1.399 1.00 . A A . 4 HYP HB2 1 1 3 939 1 1 4 HYP HB3 H -8.752 3.261 -3.011 1.00 . A A . 4 HYP HB3 1 1 3 940 1 1 4 HYP HD1 H -8.616 5.304 -0.435 1.00 . A A . 4 HYP HD1 1 1 3 941 1 1 4 HYP HD22 H -7.014 6.907 -2.874 1.00 . A A . 4 HYP HD22 1 1 3 942 1 1 4 HYP HD23 H -7.944 6.291 -4.251 1.00 . A A . 4 HYP HD23 1 1 3 943 1 1 4 HYP HG H -9.452 5.492 -2.565 1.00 . A A . 4 HYP HG 1 1 3 944 1 1 4 HYP N N -6.371 5.029 -3.612 1.00 . A A . 4 HYP N 1 1 3 945 1 1 4 HYP O O -6.614 2.710 -5.170 1.00 . A A . 4 HYP O 1 1 3 946 1 1 4 HYP OD1 O -8.047 5.742 -1.072 1.00 . A A . 4 HYP OD1 1 1 3 947 1 1 5 ASN C C -5.005 -0.021 -5.140 1.00 . A A . 5 ASN C 1 1 3 948 1 1 5 ASN CA C -6.156 0.062 -4.119 1.00 . A A . 5 ASN CA 1 1 3 949 1 1 5 ASN CB C -7.535 -0.278 -4.816 1.00 . A A . 5 ASN CB 1 1 3 950 1 1 5 ASN CG C -7.626 0.018 -6.332 1.00 . A A . 5 ASN CG 1 1 3 951 1 1 5 ASN H H -6.248 1.359 -2.420 1.00 . A A . 5 ASN H 1 1 3 952 1 1 5 ASN HA H -5.976 -0.697 -3.373 1.00 . A A . 5 ASN HA 1 1 3 953 1 1 5 ASN HB2 H -7.733 -1.330 -4.672 1.00 . A A . 5 ASN HB2 1 1 3 954 1 1 5 ASN HB3 H -8.326 0.273 -4.328 1.00 . A A . 5 ASN HB3 1 1 3 955 1 1 5 ASN HD21 H -9.058 -1.330 -6.599 1.00 . A A . 5 ASN HD21 1 1 3 956 1 1 5 ASN HD22 H -8.575 -0.498 -7.996 1.00 . A A . 5 ASN HD22 1 1 3 957 1 1 5 ASN N N -6.308 1.369 -3.397 1.00 . A A . 5 ASN N 1 1 3 958 1 1 5 ASN ND2 N -8.491 -0.660 -7.034 1.00 . A A . 5 ASN ND2 1 1 3 959 1 1 5 ASN O O -4.742 -1.094 -5.649 1.00 . A A . 5 ASN O 1 1 3 960 1 1 5 ASN OD1 O -6.936 0.844 -6.899 1.00 . A A . 5 ASN OD1 1 1 3 961 1 1 6 GLN C C -2.008 0.304 -5.815 1.00 . A A . 6 GLN C 1 1 3 962 1 1 6 GLN CA C -3.223 1.033 -6.409 1.00 . A A . 6 GLN CA 1 1 3 963 1 1 6 GLN CB C -2.848 2.476 -6.788 1.00 . A A . 6 GLN CB 1 1 3 964 1 1 6 GLN CD C -2.396 1.788 -9.179 1.00 . A A . 6 GLN CD 1 1 3 965 1 1 6 GLN CG C -1.810 2.465 -7.933 1.00 . A A . 6 GLN CG 1 1 3 966 1 1 6 GLN H H -4.583 1.926 -5.000 1.00 . A A . 6 GLN H 1 1 3 967 1 1 6 GLN HA H -3.564 0.495 -7.281 1.00 . A A . 6 GLN HA 1 1 3 968 1 1 6 GLN HB2 H -3.735 2.998 -7.110 1.00 . A A . 6 GLN HB2 1 1 3 969 1 1 6 GLN HB3 H -2.442 2.990 -5.929 1.00 . A A . 6 GLN HB3 1 1 3 970 1 1 6 GLN HE21 H -3.511 3.358 -9.665 1.00 . A A . 6 GLN HE21 1 1 3 971 1 1 6 GLN HE22 H -3.636 2.027 -10.710 1.00 . A A . 6 GLN HE22 1 1 3 972 1 1 6 GLN HG2 H -1.544 3.473 -8.195 1.00 . A A . 6 GLN HG2 1 1 3 973 1 1 6 GLN HG3 H -0.916 1.940 -7.629 1.00 . A A . 6 GLN HG3 1 1 3 974 1 1 6 GLN N N -4.346 1.076 -5.424 1.00 . A A . 6 GLN N 1 1 3 975 1 1 6 GLN NE2 N -3.252 2.447 -9.912 1.00 . A A . 6 GLN NE2 1 1 3 976 1 1 6 GLN O O -1.633 0.538 -4.684 1.00 . A A . 6 GLN O 1 1 3 977 1 1 6 GLN OE1 O -2.080 0.658 -9.493 1.00 . A A . 6 GLN OE1 1 1 3 978 1 1 7 LYS C C 0.901 -0.498 -5.607 1.00 . A A . 7 LYS C 1 1 3 979 1 1 7 LYS CA C -0.244 -1.353 -6.188 1.00 . A A . 7 LYS CA 1 1 3 980 1 1 7 LYS CB C 0.256 -2.167 -7.414 1.00 . A A . 7 LYS CB 1 1 3 981 1 1 7 LYS CD C 0.429 -4.456 -6.267 1.00 . A A . 7 LYS CD 1 1 3 982 1 1 7 LYS CE C -0.082 -5.469 -7.300 1.00 . A A . 7 LYS CE 1 1 3 983 1 1 7 LYS CG C 1.213 -3.305 -6.961 1.00 . A A . 7 LYS CG 1 1 3 984 1 1 7 LYS H H -1.793 -0.685 -7.521 1.00 . A A . 7 LYS H 1 1 3 985 1 1 7 LYS HA H -0.578 -2.039 -5.430 1.00 . A A . 7 LYS HA 1 1 3 986 1 1 7 LYS HB2 H -0.590 -2.590 -7.937 1.00 . A A . 7 LYS HB2 1 1 3 987 1 1 7 LYS HB3 H 0.779 -1.514 -8.098 1.00 . A A . 7 LYS HB3 1 1 3 988 1 1 7 LYS HD2 H 1.081 -4.959 -5.567 1.00 . A A . 7 LYS HD2 1 1 3 989 1 1 7 LYS HD3 H -0.418 -4.070 -5.722 1.00 . A A . 7 LYS HD3 1 1 3 990 1 1 7 LYS HE2 H -0.556 -4.965 -8.130 1.00 . A A . 7 LYS HE2 1 1 3 991 1 1 7 LYS HE3 H 0.733 -6.072 -7.673 1.00 . A A . 7 LYS HE3 1 1 3 992 1 1 7 LYS HG2 H 1.737 -3.690 -7.824 1.00 . A A . 7 LYS HG2 1 1 3 993 1 1 7 LYS HG3 H 1.946 -2.911 -6.274 1.00 . A A . 7 LYS HG3 1 1 3 994 1 1 7 LYS HZ1 H -0.662 -6.814 -5.821 1.00 . A A . 7 LYS HZ1 1 1 3 995 1 1 7 LYS HZ2 H -1.913 -5.807 -6.371 1.00 . A A . 7 LYS HZ2 1 1 3 996 1 1 7 LYS HZ3 H -1.377 -7.100 -7.334 1.00 . A A . 7 LYS HZ3 1 1 3 997 1 1 7 LYS N N -1.435 -0.559 -6.619 1.00 . A A . 7 LYS N 1 1 3 998 1 1 7 LYS NZ N -1.084 -6.366 -6.659 1.00 . A A . 7 LYS NZ 1 1 3 999 1 1 7 LYS O O 1.590 0.204 -6.321 1.00 . A A . 7 LYS O 1 1 3 1000 1 1 8 CYS C C 2.732 -0.777 -2.505 1.00 . A A . 8 CYS C 1 1 3 1001 1 1 8 CYS CA C 2.101 0.146 -3.554 1.00 . A A . 8 CYS CA 1 1 3 1002 1 1 8 CYS CB C 1.464 1.347 -2.871 1.00 . A A . 8 CYS CB 1 1 3 1003 1 1 8 CYS H H 0.437 -1.184 -3.810 1.00 . A A . 8 CYS H 1 1 3 1004 1 1 8 CYS HA H 2.873 0.472 -4.237 1.00 . A A . 8 CYS HA 1 1 3 1005 1 1 8 CYS HB2 H 2.233 1.877 -2.330 1.00 . A A . 8 CYS HB2 1 1 3 1006 1 1 8 CYS HB3 H 1.101 2.006 -3.644 1.00 . A A . 8 CYS HB3 1 1 3 1007 1 1 8 CYS N N 1.045 -0.600 -4.307 1.00 . A A . 8 CYS N 1 1 3 1008 1 1 8 CYS O O 2.108 -1.714 -2.043 1.00 . A A . 8 CYS O 1 1 3 1009 1 1 8 CYS SG S 0.090 1.057 -1.731 1.00 . A A . 8 CYS SG 1 1 3 1010 1 1 9 PHE C C 4.453 -0.802 0.282 1.00 . A A . 9 PHE C 1 1 3 1011 1 1 9 PHE CA C 4.683 -1.308 -1.144 1.00 . A A . 9 PHE CA 1 1 3 1012 1 1 9 PHE CB C 6.190 -1.278 -1.455 1.00 . A A . 9 PHE CB 1 1 3 1013 1 1 9 PHE CD1 C 6.630 -2.989 -3.277 1.00 . A A . 9 PHE CD1 1 1 3 1014 1 1 9 PHE CD2 C 6.459 -0.696 -3.916 1.00 . A A . 9 PHE CD2 1 1 3 1015 1 1 9 PHE CE1 C 6.849 -3.339 -4.594 1.00 . A A . 9 PHE CE1 1 1 3 1016 1 1 9 PHE CE2 C 6.679 -1.044 -5.232 1.00 . A A . 9 PHE CE2 1 1 3 1017 1 1 9 PHE CG C 6.434 -1.665 -2.925 1.00 . A A . 9 PHE CG 1 1 3 1018 1 1 9 PHE CZ C 6.873 -2.366 -5.572 1.00 . A A . 9 PHE CZ 1 1 3 1019 1 1 9 PHE H H 4.402 0.294 -2.560 1.00 . A A . 9 PHE H 1 1 3 1020 1 1 9 PHE HA H 4.333 -2.328 -1.210 1.00 . A A . 9 PHE HA 1 1 3 1021 1 1 9 PHE HB2 H 6.587 -0.291 -1.280 1.00 . A A . 9 PHE HB2 1 1 3 1022 1 1 9 PHE HB3 H 6.714 -1.974 -0.817 1.00 . A A . 9 PHE HB3 1 1 3 1023 1 1 9 PHE HD1 H 6.612 -3.756 -2.517 1.00 . A A . 9 PHE HD1 1 1 3 1024 1 1 9 PHE HD2 H 6.307 0.342 -3.660 1.00 . A A . 9 PHE HD2 1 1 3 1025 1 1 9 PHE HE1 H 7.002 -4.376 -4.859 1.00 . A A . 9 PHE HE1 1 1 3 1026 1 1 9 PHE HE2 H 6.698 -0.281 -5.997 1.00 . A A . 9 PHE HE2 1 1 3 1027 1 1 9 PHE HZ H 7.047 -2.639 -6.602 1.00 . A A . 9 PHE HZ 1 1 3 1028 1 1 9 PHE N N 3.957 -0.480 -2.156 1.00 . A A . 9 PHE N 1 1 3 1029 1 1 9 PHE O O 4.267 0.380 0.511 1.00 . A A . 9 PHE O 1 1 3 1030 1 1 10 GLN C C 5.294 -0.439 3.176 1.00 . A A . 10 GLN C 1 1 3 1031 1 1 10 GLN CA C 4.281 -1.466 2.644 1.00 . A A . 10 GLN CA 1 1 3 1032 1 1 10 GLN CB C 4.430 -2.781 3.453 1.00 . A A . 10 GLN CB 1 1 3 1033 1 1 10 GLN CD C 2.165 -3.562 2.632 1.00 . A A . 10 GLN CD 1 1 3 1034 1 1 10 GLN CG C 3.636 -3.952 2.823 1.00 . A A . 10 GLN CG 1 1 3 1035 1 1 10 GLN H H 4.629 -2.669 0.919 1.00 . A A . 10 GLN H 1 1 3 1036 1 1 10 GLN HA H 3.286 -1.078 2.761 1.00 . A A . 10 GLN HA 1 1 3 1037 1 1 10 GLN HB2 H 5.473 -3.057 3.502 1.00 . A A . 10 GLN HB2 1 1 3 1038 1 1 10 GLN HB3 H 4.080 -2.620 4.463 1.00 . A A . 10 GLN HB3 1 1 3 1039 1 1 10 GLN HE21 H 2.374 -3.241 0.687 1.00 . A A . 10 GLN HE21 1 1 3 1040 1 1 10 GLN HE22 H 0.815 -2.969 1.298 1.00 . A A . 10 GLN HE22 1 1 3 1041 1 1 10 GLN HG2 H 4.059 -4.230 1.869 1.00 . A A . 10 GLN HG2 1 1 3 1042 1 1 10 GLN HG3 H 3.682 -4.810 3.477 1.00 . A A . 10 GLN HG3 1 1 3 1043 1 1 10 GLN N N 4.479 -1.745 1.191 1.00 . A A . 10 GLN N 1 1 3 1044 1 1 10 GLN NE2 N 1.750 -3.230 1.441 1.00 . A A . 10 GLN NE2 1 1 3 1045 1 1 10 GLN O O 5.102 0.127 4.235 1.00 . A A . 10 GLN O 1 1 3 1046 1 1 10 GLN OE1 O 1.386 -3.555 3.563 1.00 . A A . 10 GLN OE1 1 1 3 1047 1 1 11 HIS C C 7.280 1.963 1.896 1.00 . A A . 11 HIS C 1 1 3 1048 1 1 11 HIS CA C 7.428 0.719 2.774 1.00 . A A . 11 HIS CA 1 1 3 1049 1 1 11 HIS CB C 8.810 0.048 2.532 1.00 . A A . 11 HIS CB 1 1 3 1050 1 1 11 HIS CD2 C 8.611 -2.261 3.826 1.00 . A A . 11 HIS CD2 1 1 3 1051 1 1 11 HIS CE1 C 8.500 -3.515 2.180 1.00 . A A . 11 HIS CE1 1 1 3 1052 1 1 11 HIS CG C 8.682 -1.472 2.691 1.00 . A A . 11 HIS CG 1 1 3 1053 1 1 11 HIS H H 6.417 -0.744 1.574 1.00 . A A . 11 HIS H 1 1 3 1054 1 1 11 HIS HA H 7.331 1.007 3.809 1.00 . A A . 11 HIS HA 1 1 3 1055 1 1 11 HIS HB2 H 9.178 0.259 1.538 1.00 . A A . 11 HIS HB2 1 1 3 1056 1 1 11 HIS HB3 H 9.528 0.412 3.253 1.00 . A A . 11 HIS HB3 1 1 3 1057 1 1 11 HIS HD1 H 8.630 -2.075 0.763 1.00 . A A . 11 HIS HD1 1 1 3 1058 1 1 11 HIS HD2 H 8.643 -1.890 4.838 1.00 . A A . 11 HIS HD2 1 1 3 1059 1 1 11 HIS HE1 H 8.421 -4.398 1.565 1.00 . A A . 11 HIS HE1 1 1 3 1060 1 1 11 HIS N N 6.341 -0.243 2.412 1.00 . A A . 11 HIS N 1 1 3 1061 1 1 11 HIS ND1 N 8.608 -2.314 1.714 1.00 . A A . 11 HIS ND1 1 1 3 1062 1 1 11 HIS NE2 N 8.498 -3.530 3.490 1.00 . A A . 11 HIS NE2 1 1 3 1063 1 1 11 HIS O O 7.292 3.075 2.388 1.00 . A A . 11 HIS O 1 1 3 1064 1 1 12 LEU C C 5.489 3.111 -0.558 1.00 . A A . 12 LEU C 1 1 3 1065 1 1 12 LEU CA C 6.987 2.843 -0.364 1.00 . A A . 12 LEU CA 1 1 3 1066 1 1 12 LEU CB C 7.655 2.437 -1.704 1.00 . A A . 12 LEU CB 1 1 3 1067 1 1 12 LEU CD1 C 9.724 1.447 -2.746 1.00 . A A . 12 LEU CD1 1 1 3 1068 1 1 12 LEU CD2 C 9.934 3.482 -1.277 1.00 . A A . 12 LEU CD2 1 1 3 1069 1 1 12 LEU CG C 9.168 2.154 -1.493 1.00 . A A . 12 LEU CG 1 1 3 1070 1 1 12 LEU H H 7.145 0.798 0.301 1.00 . A A . 12 LEU H 1 1 3 1071 1 1 12 LEU HA H 7.447 3.740 0.025 1.00 . A A . 12 LEU HA 1 1 3 1072 1 1 12 LEU HB2 H 7.171 1.556 -2.093 1.00 . A A . 12 LEU HB2 1 1 3 1073 1 1 12 LEU HB3 H 7.530 3.234 -2.424 1.00 . A A . 12 LEU HB3 1 1 3 1074 1 1 12 LEU HD11 H 9.594 2.069 -3.621 1.00 . A A . 12 LEU HD11 1 1 3 1075 1 1 12 LEU HD12 H 10.777 1.244 -2.621 1.00 . A A . 12 LEU HD12 1 1 3 1076 1 1 12 LEU HD13 H 9.209 0.512 -2.905 1.00 . A A . 12 LEU HD13 1 1 3 1077 1 1 12 LEU HD21 H 9.674 4.198 -2.043 1.00 . A A . 12 LEU HD21 1 1 3 1078 1 1 12 LEU HD22 H 9.689 3.900 -0.312 1.00 . A A . 12 LEU HD22 1 1 3 1079 1 1 12 LEU HD23 H 10.999 3.306 -1.314 1.00 . A A . 12 LEU HD23 1 1 3 1080 1 1 12 LEU HG H 9.313 1.513 -0.636 1.00 . A A . 12 LEU HG 1 1 3 1081 1 1 12 LEU N N 7.144 1.726 0.616 1.00 . A A . 12 LEU N 1 1 3 1082 1 1 12 LEU O O 4.932 2.943 -1.627 1.00 . A A . 12 LEU O 1 1 3 1083 1 1 13 ASP C C 3.280 5.228 -0.109 1.00 . A A . 13 ASP C 1 1 3 1084 1 1 13 ASP CA C 3.431 3.845 0.533 1.00 . A A . 13 ASP CA 1 1 3 1085 1 1 13 ASP CB C 2.920 3.844 1.994 1.00 . A A . 13 ASP CB 1 1 3 1086 1 1 13 ASP CG C 3.430 2.582 2.715 1.00 . A A . 13 ASP CG 1 1 3 1087 1 1 13 ASP H H 5.406 3.638 1.353 1.00 . A A . 13 ASP H 1 1 3 1088 1 1 13 ASP HA H 2.901 3.110 -0.057 1.00 . A A . 13 ASP HA 1 1 3 1089 1 1 13 ASP HB2 H 3.275 4.717 2.523 1.00 . A A . 13 ASP HB2 1 1 3 1090 1 1 13 ASP HB3 H 1.839 3.850 2.007 1.00 . A A . 13 ASP HB3 1 1 3 1091 1 1 13 ASP N N 4.889 3.529 0.527 1.00 . A A . 13 ASP N 1 1 3 1092 1 1 13 ASP O O 3.460 6.252 0.525 1.00 . A A . 13 ASP O 1 1 3 1093 1 1 13 ASP OD1 O 4.526 2.671 3.245 1.00 . A A . 13 ASP OD1 1 1 3 1094 1 1 13 ASP OD2 O 2.704 1.601 2.698 1.00 . A A . 13 ASP OD2 1 1 3 1095 1 1 14 ASP C C 1.306 6.923 -2.085 1.00 . A A . 14 ASP C 1 1 3 1096 1 1 14 ASP CA C 2.755 6.428 -2.183 1.00 . A A . 14 ASP CA 1 1 3 1097 1 1 14 ASP CB C 3.112 6.093 -3.644 1.00 . A A . 14 ASP CB 1 1 3 1098 1 1 14 ASP CG C 2.538 4.710 -4.028 1.00 . A A . 14 ASP CG 1 1 3 1099 1 1 14 ASP H H 2.821 4.324 -1.807 1.00 . A A . 14 ASP H 1 1 3 1100 1 1 14 ASP HA H 3.414 7.204 -1.818 1.00 . A A . 14 ASP HA 1 1 3 1101 1 1 14 ASP HB2 H 2.698 6.836 -4.304 1.00 . A A . 14 ASP HB2 1 1 3 1102 1 1 14 ASP HB3 H 4.187 6.083 -3.767 1.00 . A A . 14 ASP HB3 1 1 3 1103 1 1 14 ASP N N 2.948 5.191 -1.369 1.00 . A A . 14 ASP N 1 1 3 1104 1 1 14 ASP O O 1.003 8.028 -2.490 1.00 . A A . 14 ASP O 1 1 3 1105 1 1 14 ASP OD1 O 1.342 4.656 -4.267 1.00 . A A . 14 ASP OD1 1 1 3 1106 1 1 14 ASP OD2 O 3.330 3.780 -4.056 1.00 . A A . 14 ASP OD2 1 1 3 1107 1 1 15 CYS C C -1.252 7.697 -0.647 1.00 . A A . 15 CYS C 1 1 3 1108 1 1 15 CYS CA C -0.982 6.376 -1.365 1.00 . A A . 15 CYS CA 1 1 3 1109 1 1 15 CYS CB C -1.588 5.230 -0.580 1.00 . A A . 15 CYS CB 1 1 3 1110 1 1 15 CYS H H 0.796 5.205 -1.237 1.00 . A A . 15 CYS H 1 1 3 1111 1 1 15 CYS HA H -1.443 6.414 -2.340 1.00 . A A . 15 CYS HA 1 1 3 1112 1 1 15 CYS HB2 H -1.346 5.390 0.460 1.00 . A A . 15 CYS HB2 1 1 3 1113 1 1 15 CYS HB3 H -2.664 5.234 -0.672 1.00 . A A . 15 CYS HB3 1 1 3 1114 1 1 15 CYS N N 0.468 6.076 -1.544 1.00 . A A . 15 CYS N 1 1 3 1115 1 1 15 CYS O O -0.434 8.179 0.113 1.00 . A A . 15 CYS O 1 1 3 1116 1 1 15 CYS SG S -0.970 3.581 -0.982 1.00 . A A . 15 CYS SG 1 1 3 1117 1 1 16 CYS C C -3.109 9.200 1.183 1.00 . A A . 16 CYS C 1 1 3 1118 1 1 16 CYS CA C -2.829 9.518 -0.295 1.00 . A A . 16 CYS CA 1 1 3 1119 1 1 16 CYS CB C -4.096 10.034 -1.008 1.00 . A A . 16 CYS CB 1 1 3 1120 1 1 16 CYS H H -3.014 7.776 -1.547 1.00 . A A . 16 CYS H 1 1 3 1121 1 1 16 CYS HA H -2.019 10.227 -0.361 1.00 . A A . 16 CYS HA 1 1 3 1122 1 1 16 CYS HB2 H -4.097 9.675 -2.025 1.00 . A A . 16 CYS HB2 1 1 3 1123 1 1 16 CYS HB3 H -4.973 9.631 -0.523 1.00 . A A . 16 CYS HB3 1 1 3 1124 1 1 16 CYS N N -2.414 8.230 -0.922 1.00 . A A . 16 CYS N 1 1 3 1125 1 1 16 CYS O O -2.845 9.997 2.062 1.00 . A A . 16 CYS O 1 1 3 1126 1 1 16 CYS SG S -4.289 11.830 -1.093 1.00 . A A . 16 CYS SG 1 1 3 1127 1 1 17 SER C C -2.712 6.952 3.422 1.00 . A A . 17 SER C 1 1 3 1128 1 1 17 SER CA C -3.979 7.515 2.746 1.00 . A A . 17 SER CA 1 1 3 1129 1 1 17 SER CB C -5.052 6.423 2.585 1.00 . A A . 17 SER CB 1 1 3 1130 1 1 17 SER H H -3.831 7.427 0.630 1.00 . A A . 17 SER H 1 1 3 1131 1 1 17 SER HA H -4.364 8.330 3.343 1.00 . A A . 17 SER HA 1 1 3 1132 1 1 17 SER HB2 H -5.564 6.248 3.513 1.00 . A A . 17 SER HB2 1 1 3 1133 1 1 17 SER HB3 H -5.765 6.677 1.814 1.00 . A A . 17 SER HB3 1 1 3 1134 1 1 17 SER HG H -4.938 4.496 2.305 1.00 . A A . 17 SER HG 1 1 3 1135 1 1 17 SER N N -3.640 8.017 1.387 1.00 . A A . 17 SER N 1 1 3 1136 1 1 17 SER O O -2.786 6.450 4.526 1.00 . A A . 17 SER O 1 1 3 1137 1 1 17 SER OG O -4.348 5.246 2.202 1.00 . A A . 17 SER OG 1 1 3 1138 1 1 18 ARG C C -0.318 5.180 3.836 1.00 . A A . 18 ARG C 1 1 3 1139 1 1 18 ARG CA C -0.262 6.573 3.181 1.00 . A A . 18 ARG CA 1 1 3 1140 1 1 18 ARG CB C 0.333 7.641 4.172 1.00 . A A . 18 ARG CB 1 1 3 1141 1 1 18 ARG CD C 0.328 8.626 6.513 1.00 . A A . 18 ARG CD 1 1 3 1142 1 1 18 ARG CG C -0.457 7.756 5.504 1.00 . A A . 18 ARG CG 1 1 3 1143 1 1 18 ARG CZ C -0.241 10.897 5.870 1.00 . A A . 18 ARG CZ 1 1 3 1144 1 1 18 ARG H H -1.658 7.476 1.834 1.00 . A A . 18 ARG H 1 1 3 1145 1 1 18 ARG HA H 0.381 6.506 2.316 1.00 . A A . 18 ARG HA 1 1 3 1146 1 1 18 ARG HB2 H 1.359 7.379 4.384 1.00 . A A . 18 ARG HB2 1 1 3 1147 1 1 18 ARG HB3 H 0.330 8.605 3.682 1.00 . A A . 18 ARG HB3 1 1 3 1148 1 1 18 ARG HD2 H 0.390 8.122 7.466 1.00 . A A . 18 ARG HD2 1 1 3 1149 1 1 18 ARG HD3 H 1.329 8.845 6.169 1.00 . A A . 18 ARG HD3 1 1 3 1150 1 1 18 ARG HE H -1.027 10.012 7.465 1.00 . A A . 18 ARG HE 1 1 3 1151 1 1 18 ARG HG2 H -1.414 8.218 5.318 1.00 . A A . 18 ARG HG2 1 1 3 1152 1 1 18 ARG HG3 H -0.626 6.780 5.935 1.00 . A A . 18 ARG HG3 1 1 3 1153 1 1 18 ARG HH11 H -1.538 10.149 4.539 1.00 . A A . 18 ARG HH11 1 1 3 1154 1 1 18 ARG HH12 H -0.787 11.646 4.095 1.00 . A A . 18 ARG HH12 1 1 3 1155 1 1 18 ARG HH21 H 1.086 11.814 7.052 1.00 . A A . 18 ARG HH21 1 1 3 1156 1 1 18 ARG HH22 H 0.739 12.613 5.556 1.00 . A A . 18 ARG HH22 1 1 3 1157 1 1 18 ARG N N -1.606 7.057 2.717 1.00 . A A . 18 ARG N 1 1 3 1158 1 1 18 ARG NE N -0.413 9.910 6.708 1.00 . A A . 18 ARG NE 1 1 3 1159 1 1 18 ARG NH1 N -0.908 10.897 4.747 1.00 . A A . 18 ARG NH1 1 1 3 1160 1 1 18 ARG NH2 N 0.593 11.850 6.184 1.00 . A A . 18 ARG NH2 1 1 3 1161 1 1 18 ARG O O 0.495 4.844 4.677 1.00 . A A . 18 ARG O 1 1 3 1162 1 1 19 LYS C C -1.699 2.059 2.760 1.00 . A A . 19 LYS C 1 1 3 1163 1 1 19 LYS CA C -1.508 3.037 3.928 1.00 . A A . 19 LYS CA 1 1 3 1164 1 1 19 LYS CB C -2.759 3.048 4.816 1.00 . A A . 19 LYS CB 1 1 3 1165 1 1 19 LYS CD C -3.621 3.130 7.178 1.00 . A A . 19 LYS CD 1 1 3 1166 1 1 19 LYS CE C -3.244 3.368 8.651 1.00 . A A . 19 LYS CE 1 1 3 1167 1 1 19 LYS CG C -2.381 3.352 6.282 1.00 . A A . 19 LYS CG 1 1 3 1168 1 1 19 LYS H H -1.917 4.742 2.729 1.00 . A A . 19 LYS H 1 1 3 1169 1 1 19 LYS HA H -0.641 2.726 4.495 1.00 . A A . 19 LYS HA 1 1 3 1170 1 1 19 LYS HB2 H -3.446 3.803 4.463 1.00 . A A . 19 LYS HB2 1 1 3 1171 1 1 19 LYS HB3 H -3.247 2.095 4.735 1.00 . A A . 19 LYS HB3 1 1 3 1172 1 1 19 LYS HD2 H -4.407 3.814 6.890 1.00 . A A . 19 LYS HD2 1 1 3 1173 1 1 19 LYS HD3 H -3.984 2.119 7.055 1.00 . A A . 19 LYS HD3 1 1 3 1174 1 1 19 LYS HE2 H -2.273 2.948 8.872 1.00 . A A . 19 LYS HE2 1 1 3 1175 1 1 19 LYS HE3 H -3.228 4.426 8.866 1.00 . A A . 19 LYS HE3 1 1 3 1176 1 1 19 LYS HG2 H -1.582 2.700 6.601 1.00 . A A . 19 LYS HG2 1 1 3 1177 1 1 19 LYS HG3 H -2.047 4.377 6.368 1.00 . A A . 19 LYS HG3 1 1 3 1178 1 1 19 LYS HZ1 H -5.207 2.924 9.188 1.00 . A A . 19 LYS HZ1 1 1 3 1179 1 1 19 LYS HZ2 H -4.094 1.690 9.543 1.00 . A A . 19 LYS HZ2 1 1 3 1180 1 1 19 LYS HZ3 H -4.148 3.088 10.507 1.00 . A A . 19 LYS HZ3 1 1 3 1181 1 1 19 LYS N N -1.294 4.414 3.409 1.00 . A A . 19 LYS N 1 1 3 1182 1 1 19 LYS NZ N -4.249 2.718 9.540 1.00 . A A . 19 LYS NZ 1 1 3 1183 1 1 19 LYS O O -2.530 2.285 1.901 1.00 . A A . 19 LYS O 1 1 3 1184 1 1 20 CYS C C -1.344 -1.345 2.433 1.00 . A A . 20 CYS C 1 1 3 1185 1 1 20 CYS CA C -0.973 -0.037 1.722 1.00 . A A . 20 CYS CA 1 1 3 1186 1 1 20 CYS CB C 0.402 -0.100 1.073 1.00 . A A . 20 CYS CB 1 1 3 1187 1 1 20 CYS H H -0.252 0.883 3.479 1.00 . A A . 20 CYS H 1 1 3 1188 1 1 20 CYS HA H -1.736 0.219 1.001 1.00 . A A . 20 CYS HA 1 1 3 1189 1 1 20 CYS HB2 H 1.148 -0.242 1.840 1.00 . A A . 20 CYS HB2 1 1 3 1190 1 1 20 CYS HB3 H 0.426 -0.961 0.439 1.00 . A A . 20 CYS HB3 1 1 3 1191 1 1 20 CYS N N -0.914 1.010 2.773 1.00 . A A . 20 CYS N 1 1 3 1192 1 1 20 CYS O O -0.665 -1.749 3.358 1.00 . A A . 20 CYS O 1 1 3 1193 1 1 20 CYS SG S 0.855 1.366 0.113 1.00 . A A . 20 CYS SG 1 1 3 1194 1 1 21 ASN C C -1.895 -4.429 2.374 1.00 . A A . 21 ASN C 1 1 3 1195 1 1 21 ASN CA C -2.860 -3.255 2.615 1.00 . A A . 21 ASN CA 1 1 3 1196 1 1 21 ASN CB C -4.263 -3.587 2.058 1.00 . A A . 21 ASN CB 1 1 3 1197 1 1 21 ASN CG C -4.226 -3.800 0.541 1.00 . A A . 21 ASN CG 1 1 3 1198 1 1 21 ASN H H -2.912 -1.598 1.238 1.00 . A A . 21 ASN H 1 1 3 1199 1 1 21 ASN HA H -2.942 -3.104 3.682 1.00 . A A . 21 ASN HA 1 1 3 1200 1 1 21 ASN HB2 H -4.652 -4.483 2.520 1.00 . A A . 21 ASN HB2 1 1 3 1201 1 1 21 ASN HB3 H -4.939 -2.773 2.274 1.00 . A A . 21 ASN HB3 1 1 3 1202 1 1 21 ASN HD21 H -6.191 -3.579 0.359 1.00 . A A . 21 ASN HD21 1 1 3 1203 1 1 21 ASN HD22 H -5.341 -3.893 -1.076 1.00 . A A . 21 ASN HD22 1 1 3 1204 1 1 21 ASN N N -2.406 -1.972 1.990 1.00 . A A . 21 ASN N 1 1 3 1205 1 1 21 ASN ND2 N -5.349 -3.752 -0.111 1.00 . A A . 21 ASN ND2 1 1 3 1206 1 1 21 ASN O O -0.814 -4.258 1.844 1.00 . A A . 21 ASN O 1 1 3 1207 1 1 21 ASN OD1 O -3.196 -4.011 -0.067 1.00 . A A . 21 ASN OD1 1 1 3 1208 1 1 22 ARG C C -1.416 -7.317 1.175 1.00 . A A . 22 ARG C 1 1 3 1209 1 1 22 ARG CA C -1.538 -6.831 2.625 1.00 . A A . 22 ARG CA 1 1 3 1210 1 1 22 ARG CB C -2.186 -7.915 3.515 1.00 . A A . 22 ARG CB 1 1 3 1211 1 1 22 ARG CD C -3.676 -9.767 2.612 1.00 . A A . 22 ARG CD 1 1 3 1212 1 1 22 ARG CG C -3.622 -8.281 3.041 1.00 . A A . 22 ARG CG 1 1 3 1213 1 1 22 ARG CZ C -5.304 -10.926 3.997 1.00 . A A . 22 ARG CZ 1 1 3 1214 1 1 22 ARG H H -3.218 -5.671 3.177 1.00 . A A . 22 ARG H 1 1 3 1215 1 1 22 ARG HA H -0.561 -6.601 3.001 1.00 . A A . 22 ARG HA 1 1 3 1216 1 1 22 ARG HB2 H -1.546 -8.780 3.515 1.00 . A A . 22 ARG HB2 1 1 3 1217 1 1 22 ARG HB3 H -2.239 -7.543 4.528 1.00 . A A . 22 ARG HB3 1 1 3 1218 1 1 22 ARG HD2 H -3.478 -9.856 1.553 1.00 . A A . 22 ARG HD2 1 1 3 1219 1 1 22 ARG HD3 H -2.958 -10.364 3.156 1.00 . A A . 22 ARG HD3 1 1 3 1220 1 1 22 ARG HE H -5.762 -10.157 2.230 1.00 . A A . 22 ARG HE 1 1 3 1221 1 1 22 ARG HG2 H -4.309 -8.117 3.858 1.00 . A A . 22 ARG HG2 1 1 3 1222 1 1 22 ARG HG3 H -3.930 -7.655 2.216 1.00 . A A . 22 ARG HG3 1 1 3 1223 1 1 22 ARG HH11 H -5.665 -9.239 5.009 1.00 . A A . 22 ARG HH11 1 1 3 1224 1 1 22 ARG HH12 H -5.823 -10.706 5.917 1.00 . A A . 22 ARG HH12 1 1 3 1225 1 1 22 ARG HH21 H -4.987 -12.723 3.176 1.00 . A A . 22 ARG HH21 1 1 3 1226 1 1 22 ARG HH22 H -5.429 -12.731 4.850 1.00 . A A . 22 ARG HH22 1 1 3 1227 1 1 22 ARG N N -2.339 -5.594 2.773 1.00 . A A . 22 ARG N 1 1 3 1228 1 1 22 ARG NE N -5.048 -10.289 2.885 1.00 . A A . 22 ARG NE 1 1 3 1229 1 1 22 ARG NH1 N -5.622 -10.236 5.058 1.00 . A A . 22 ARG NH1 1 1 3 1230 1 1 22 ARG NH2 N -5.234 -12.228 4.009 1.00 . A A . 22 ARG NH2 1 1 3 1231 1 1 22 ARG O O -0.579 -8.148 0.877 1.00 . A A . 22 ARG O 1 1 3 1232 1 1 23 PHE C C -1.251 -6.235 -1.860 1.00 . A A . 23 PHE C 1 1 3 1233 1 1 23 PHE CA C -2.233 -7.164 -1.121 1.00 . A A . 23 PHE CA 1 1 3 1234 1 1 23 PHE CB C -3.639 -6.987 -1.688 1.00 . A A . 23 PHE CB 1 1 3 1235 1 1 23 PHE CD1 C -4.818 -9.201 -1.297 1.00 . A A . 23 PHE CD1 1 1 3 1236 1 1 23 PHE CD2 C -5.484 -7.324 0.014 1.00 . A A . 23 PHE CD2 1 1 3 1237 1 1 23 PHE CE1 C -5.758 -9.982 -0.656 1.00 . A A . 23 PHE CE1 1 1 3 1238 1 1 23 PHE CE2 C -6.424 -8.104 0.655 1.00 . A A . 23 PHE CE2 1 1 3 1239 1 1 23 PHE CG C -4.674 -7.865 -0.968 1.00 . A A . 23 PHE CG 1 1 3 1240 1 1 23 PHE CZ C -6.561 -9.433 0.319 1.00 . A A . 23 PHE CZ 1 1 3 1241 1 1 23 PHE H H -2.910 -6.121 0.603 1.00 . A A . 23 PHE H 1 1 3 1242 1 1 23 PHE HA H -1.903 -8.187 -1.229 1.00 . A A . 23 PHE HA 1 1 3 1243 1 1 23 PHE HB2 H -3.944 -5.954 -1.610 1.00 . A A . 23 PHE HB2 1 1 3 1244 1 1 23 PHE HB3 H -3.627 -7.256 -2.726 1.00 . A A . 23 PHE HB3 1 1 3 1245 1 1 23 PHE HD1 H -4.191 -9.639 -2.060 1.00 . A A . 23 PHE HD1 1 1 3 1246 1 1 23 PHE HD2 H -5.383 -6.285 0.284 1.00 . A A . 23 PHE HD2 1 1 3 1247 1 1 23 PHE HE1 H -5.865 -11.024 -0.919 1.00 . A A . 23 PHE HE1 1 1 3 1248 1 1 23 PHE HE2 H -7.052 -7.672 1.419 1.00 . A A . 23 PHE HE2 1 1 3 1249 1 1 23 PHE HZ H -7.298 -10.043 0.820 1.00 . A A . 23 PHE HZ 1 1 3 1250 1 1 23 PHE N N -2.250 -6.783 0.319 1.00 . A A . 23 PHE N 1 1 3 1251 1 1 23 PHE O O -1.247 -6.183 -3.076 1.00 . A A . 23 PHE O 1 1 3 1252 1 1 24 ASN C C -0.133 -3.590 -2.581 1.00 . A A . 24 ASN C 1 1 3 1253 1 1 24 ASN CA C 0.563 -4.576 -1.638 1.00 . A A . 24 ASN CA 1 1 3 1254 1 1 24 ASN CB C 1.666 -5.375 -2.381 1.00 . A A . 24 ASN CB 1 1 3 1255 1 1 24 ASN CG C 2.519 -6.099 -1.332 1.00 . A A . 24 ASN CG 1 1 3 1256 1 1 24 ASN H H -0.510 -5.637 -0.118 1.00 . A A . 24 ASN H 1 1 3 1257 1 1 24 ASN HA H 0.980 -4.014 -0.817 1.00 . A A . 24 ASN HA 1 1 3 1258 1 1 24 ASN HB2 H 1.244 -6.103 -3.058 1.00 . A A . 24 ASN HB2 1 1 3 1259 1 1 24 ASN HB3 H 2.308 -4.709 -2.938 1.00 . A A . 24 ASN HB3 1 1 3 1260 1 1 24 ASN HD21 H 3.432 -4.436 -0.748 1.00 . A A . 24 ASN HD21 1 1 3 1261 1 1 24 ASN HD22 H 3.911 -5.847 0.065 1.00 . A A . 24 ASN HD22 1 1 3 1262 1 1 24 ASN N N -0.448 -5.532 -1.090 1.00 . A A . 24 ASN N 1 1 3 1263 1 1 24 ASN ND2 N 3.357 -5.403 -0.611 1.00 . A A . 24 ASN ND2 1 1 3 1264 1 1 24 ASN O O 0.395 -3.187 -3.597 1.00 . A A . 24 ASN O 1 1 3 1265 1 1 24 ASN OD1 O 2.429 -7.297 -1.160 1.00 . A A . 24 ASN OD1 1 1 3 1266 1 1 25 LYS C C -2.496 -1.153 -1.920 1.00 . A A . 25 LYS C 1 1 3 1267 1 1 25 LYS CA C -2.223 -2.307 -2.886 1.00 . A A . 25 LYS CA 1 1 3 1268 1 1 25 LYS CB C -3.516 -3.041 -3.233 1.00 . A A . 25 LYS CB 1 1 3 1269 1 1 25 LYS CD C -4.507 -4.844 -4.724 1.00 . A A . 25 LYS CD 1 1 3 1270 1 1 25 LYS CE C -5.896 -4.162 -4.768 1.00 . A A . 25 LYS CE 1 1 3 1271 1 1 25 LYS CG C -3.366 -3.804 -4.569 1.00 . A A . 25 LYS CG 1 1 3 1272 1 1 25 LYS H H -1.658 -3.636 -1.330 1.00 . A A . 25 LYS H 1 1 3 1273 1 1 25 LYS HA H -1.732 -1.920 -3.762 1.00 . A A . 25 LYS HA 1 1 3 1274 1 1 25 LYS HB2 H -3.755 -3.739 -2.445 1.00 . A A . 25 LYS HB2 1 1 3 1275 1 1 25 LYS HB3 H -4.313 -2.322 -3.293 1.00 . A A . 25 LYS HB3 1 1 3 1276 1 1 25 LYS HD2 H -4.355 -5.395 -5.641 1.00 . A A . 25 LYS HD2 1 1 3 1277 1 1 25 LYS HD3 H -4.476 -5.545 -3.904 1.00 . A A . 25 LYS HD3 1 1 3 1278 1 1 25 LYS HE2 H -5.864 -3.259 -5.359 1.00 . A A . 25 LYS HE2 1 1 3 1279 1 1 25 LYS HE3 H -6.617 -4.835 -5.207 1.00 . A A . 25 LYS HE3 1 1 3 1280 1 1 25 LYS HG2 H -3.379 -3.114 -5.400 1.00 . A A . 25 LYS HG2 1 1 3 1281 1 1 25 LYS HG3 H -2.422 -4.327 -4.578 1.00 . A A . 25 LYS HG3 1 1 3 1282 1 1 25 LYS HZ1 H -5.730 -4.265 -2.689 1.00 . A A . 25 LYS HZ1 1 1 3 1283 1 1 25 LYS HZ2 H -6.331 -2.785 -3.266 1.00 . A A . 25 LYS HZ2 1 1 3 1284 1 1 25 LYS HZ3 H -7.328 -4.160 -3.253 1.00 . A A . 25 LYS HZ3 1 1 3 1285 1 1 25 LYS N N -1.325 -3.251 -2.165 1.00 . A A . 25 LYS N 1 1 3 1286 1 1 25 LYS NZ N -6.356 -3.818 -3.390 1.00 . A A . 25 LYS NZ 1 1 3 1287 1 1 25 LYS O O -2.263 -1.293 -0.736 1.00 . A A . 25 LYS O 1 1 3 1288 1 1 26 CYS C C -4.596 0.941 -0.809 1.00 . A A . 26 CYS C 1 1 3 1289 1 1 26 CYS CA C -3.269 1.112 -1.546 1.00 . A A . 26 CYS CA 1 1 3 1290 1 1 26 CYS CB C -3.308 2.388 -2.394 1.00 . A A . 26 CYS CB 1 1 3 1291 1 1 26 CYS H H -3.163 0.020 -3.391 1.00 . A A . 26 CYS H 1 1 3 1292 1 1 26 CYS HA H -2.480 1.202 -0.814 1.00 . A A . 26 CYS HA 1 1 3 1293 1 1 26 CYS HB2 H -3.818 2.171 -3.315 1.00 . A A . 26 CYS HB2 1 1 3 1294 1 1 26 CYS HB3 H -3.884 3.133 -1.872 1.00 . A A . 26 CYS HB3 1 1 3 1295 1 1 26 CYS N N -2.982 -0.051 -2.433 1.00 . A A . 26 CYS N 1 1 3 1296 1 1 26 CYS O O -5.329 -0.005 -1.025 1.00 . A A . 26 CYS O 1 1 3 1297 1 1 26 CYS SG S -1.726 3.157 -2.805 1.00 . A A . 26 CYS SG 1 1 3 1298 1 1 27 VAL C C -6.715 3.336 0.809 1.00 . A A . 27 VAL C 1 1 3 1299 1 1 27 VAL CA C -6.086 1.920 0.879 1.00 . A A . 27 VAL CA 1 1 3 1300 1 1 27 VAL CB C -5.685 1.530 2.333 1.00 . A A . 27 VAL CB 1 1 3 1301 1 1 27 VAL CG1 C -6.942 1.417 3.229 1.00 . A A . 27 VAL CG1 1 1 3 1302 1 1 27 VAL CG2 C -4.973 0.149 2.320 1.00 . A A . 27 VAL CG2 1 1 3 1303 1 1 27 VAL H H -4.181 2.610 0.159 1.00 . A A . 27 VAL H 1 1 3 1304 1 1 27 VAL HA H -6.796 1.210 0.482 1.00 . A A . 27 VAL HA 1 1 3 1305 1 1 27 VAL HB H -5.013 2.280 2.727 1.00 . A A . 27 VAL HB 1 1 3 1306 1 1 27 VAL HG11 H -7.754 0.955 2.685 1.00 . A A . 27 VAL HG11 1 1 3 1307 1 1 27 VAL HG12 H -6.733 0.821 4.106 1.00 . A A . 27 VAL HG12 1 1 3 1308 1 1 27 VAL HG13 H -7.254 2.399 3.553 1.00 . A A . 27 VAL HG13 1 1 3 1309 1 1 27 VAL HG21 H -5.589 -0.585 1.822 1.00 . A A . 27 VAL HG21 1 1 3 1310 1 1 27 VAL HG22 H -4.029 0.213 1.801 1.00 . A A . 27 VAL HG22 1 1 3 1311 1 1 27 VAL HG23 H -4.783 -0.186 3.329 1.00 . A A . 27 VAL HG23 1 1 3 1312 1 1 27 VAL N N -4.841 1.892 0.052 1.00 . A A . 27 VAL N 1 1 3 1313 1 1 27 VAL O O -7.850 3.456 1.241 1.00 . A A . 27 VAL O 1 1 3 1314 1 1 27 VAL OXT O -6.039 4.230 0.325 1.00 . A A . 27 VAL OXT 1 1 4 1315 1 1 1 CYS C C -1.523 10.122 -4.559 1.00 . A A . 1 CYS C 1 1 4 1316 1 1 1 CYS CA C -0.733 11.174 -3.756 1.00 . A A . 1 CYS CA 1 1 4 1317 1 1 1 CYS CB C -1.658 12.068 -2.875 1.00 . A A . 1 CYS CB 1 1 4 1318 1 1 1 CYS H1 H 0.554 11.461 -5.366 1.00 . A A . 1 CYS H1 1 1 4 1319 1 1 1 CYS H2 H -0.780 12.507 -5.350 1.00 . A A . 1 CYS H2 1 1 4 1320 1 1 1 CYS H3 H 0.508 12.762 -4.273 1.00 . A A . 1 CYS H3 1 1 4 1321 1 1 1 CYS HA H 0.020 10.682 -3.156 1.00 . A A . 1 CYS HA 1 1 4 1322 1 1 1 CYS HB2 H -1.521 11.759 -1.851 1.00 . A A . 1 CYS HB2 1 1 4 1323 1 1 1 CYS HB3 H -1.299 13.085 -2.941 1.00 . A A . 1 CYS HB3 1 1 4 1324 1 1 1 CYS N N -0.061 12.041 -4.762 1.00 . A A . 1 CYS N 1 1 4 1325 1 1 1 CYS O O -2.443 10.453 -5.283 1.00 . A A . 1 CYS O 1 1 4 1326 1 1 1 CYS SG S -3.442 12.124 -3.179 1.00 . A A . 1 CYS SG 1 1 4 1327 1 1 2 ARG C C -3.151 7.368 -4.506 1.00 . A A . 2 ARG C 1 1 4 1328 1 1 2 ARG CA C -1.811 7.756 -5.137 1.00 . A A . 2 ARG CA 1 1 4 1329 1 1 2 ARG CB C -0.865 6.540 -5.145 1.00 . A A . 2 ARG CB 1 1 4 1330 1 1 2 ARG CD C 0.940 5.452 -6.544 1.00 . A A . 2 ARG CD 1 1 4 1331 1 1 2 ARG CG C 0.272 6.788 -6.163 1.00 . A A . 2 ARG CG 1 1 4 1332 1 1 2 ARG CZ C 1.496 4.357 -8.632 1.00 . A A . 2 ARG CZ 1 1 4 1333 1 1 2 ARG H H -0.386 8.678 -3.806 1.00 . A A . 2 ARG H 1 1 4 1334 1 1 2 ARG HA H -1.998 8.069 -6.154 1.00 . A A . 2 ARG HA 1 1 4 1335 1 1 2 ARG HB2 H -0.431 6.396 -4.167 1.00 . A A . 2 ARG HB2 1 1 4 1336 1 1 2 ARG HB3 H -1.417 5.647 -5.408 1.00 . A A . 2 ARG HB3 1 1 4 1337 1 1 2 ARG HD2 H 2.000 5.500 -6.345 1.00 . A A . 2 ARG HD2 1 1 4 1338 1 1 2 ARG HD3 H 0.512 4.623 -6.000 1.00 . A A . 2 ARG HD3 1 1 4 1339 1 1 2 ARG HE H 0.035 5.694 -8.487 1.00 . A A . 2 ARG HE 1 1 4 1340 1 1 2 ARG HG2 H -0.119 7.267 -7.048 1.00 . A A . 2 ARG HG2 1 1 4 1341 1 1 2 ARG HG3 H 1.009 7.444 -5.721 1.00 . A A . 2 ARG HG3 1 1 4 1342 1 1 2 ARG HH11 H 1.014 2.841 -7.417 1.00 . A A . 2 ARG HH11 1 1 4 1343 1 1 2 ARG HH12 H 2.127 2.456 -8.687 1.00 . A A . 2 ARG HH12 1 1 4 1344 1 1 2 ARG HH21 H 2.111 5.726 -9.951 1.00 . A A . 2 ARG HH21 1 1 4 1345 1 1 2 ARG HH22 H 2.767 4.136 -10.161 1.00 . A A . 2 ARG HH22 1 1 4 1346 1 1 2 ARG N N -1.133 8.879 -4.408 1.00 . A A . 2 ARG N 1 1 4 1347 1 1 2 ARG NE N 0.736 5.213 -8.003 1.00 . A A . 2 ARG NE 1 1 4 1348 1 1 2 ARG NH1 N 1.551 3.122 -8.213 1.00 . A A . 2 ARG NH1 1 1 4 1349 1 1 2 ARG NH2 N 2.178 4.771 -9.663 1.00 . A A . 2 ARG NH2 1 1 4 1350 1 1 2 ARG O O -3.333 7.479 -3.312 1.00 . A A . 2 ARG O 1 1 4 1351 1 1 3 ILE C C -5.360 5.160 -4.104 1.00 . A A . 3 ILE C 1 1 4 1352 1 1 3 ILE CA C -5.411 6.502 -4.867 1.00 . A A . 3 ILE CA 1 1 4 1353 1 1 3 ILE CB C -6.334 6.372 -6.101 1.00 . A A . 3 ILE CB 1 1 4 1354 1 1 3 ILE CD1 C -6.500 4.447 -7.788 1.00 . A A . 3 ILE CD1 1 1 4 1355 1 1 3 ILE CG1 C -5.612 5.577 -7.242 1.00 . A A . 3 ILE CG1 1 1 4 1356 1 1 3 ILE CG2 C -6.703 7.783 -6.606 1.00 . A A . 3 ILE CG2 1 1 4 1357 1 1 3 ILE H H -3.860 6.842 -6.295 1.00 . A A . 3 ILE H 1 1 4 1358 1 1 3 ILE HA H -5.783 7.269 -4.205 1.00 . A A . 3 ILE HA 1 1 4 1359 1 1 3 ILE HB H -7.235 5.864 -5.805 1.00 . A A . 3 ILE HB 1 1 4 1360 1 1 3 ILE HD11 H -7.505 4.505 -7.399 1.00 . A A . 3 ILE HD11 1 1 4 1361 1 1 3 ILE HD12 H -6.540 4.509 -8.865 1.00 . A A . 3 ILE HD12 1 1 4 1362 1 1 3 ILE HD13 H -6.074 3.494 -7.515 1.00 . A A . 3 ILE HD13 1 1 4 1363 1 1 3 ILE HG12 H -5.339 6.237 -8.052 1.00 . A A . 3 ILE HG12 1 1 4 1364 1 1 3 ILE HG13 H -4.708 5.132 -6.864 1.00 . A A . 3 ILE HG13 1 1 4 1365 1 1 3 ILE HG21 H -5.812 8.337 -6.864 1.00 . A A . 3 ILE HG21 1 1 4 1366 1 1 3 ILE HG22 H -7.333 7.711 -7.481 1.00 . A A . 3 ILE HG22 1 1 4 1367 1 1 3 ILE HG23 H -7.239 8.323 -5.839 1.00 . A A . 3 ILE HG23 1 1 4 1368 1 1 3 ILE N N -4.056 6.918 -5.338 1.00 . A A . 3 ILE N 1 1 4 1369 1 1 3 ILE O O -4.394 4.433 -4.230 1.00 . A A . 3 ILE O 1 1 4 1370 1 1 4 HYP C C -6.559 2.422 -3.954 1.00 . A A . 4 HYP C 1 1 4 1371 1 1 4 HYP CA C -6.681 3.490 -2.853 1.00 . A A . 4 HYP CA 1 1 4 1372 1 1 4 HYP CB C -8.093 3.552 -2.268 1.00 . A A . 4 HYP CB 1 1 4 1373 1 1 4 HYP CD C -7.374 5.878 -2.845 1.00 . A A . 4 HYP CD 1 1 4 1374 1 1 4 HYP CG C -8.377 5.057 -2.008 1.00 . A A . 4 HYP CG 1 1 4 1375 1 1 4 HYP HA H -5.987 3.251 -2.060 1.00 . A A . 4 HYP HA 1 1 4 1376 1 1 4 HYP HB2 H -8.162 2.964 -1.365 1.00 . A A . 4 HYP HB2 1 1 4 1377 1 1 4 HYP HB3 H -8.811 3.175 -2.981 1.00 . A A . 4 HYP HB3 1 1 4 1378 1 1 4 HYP HD1 H -8.008 6.223 -0.489 1.00 . A A . 4 HYP HD1 1 1 4 1379 1 1 4 HYP HD22 H -6.861 6.626 -2.255 1.00 . A A . 4 HYP HD22 1 1 4 1380 1 1 4 HYP HD23 H -7.872 6.343 -3.682 1.00 . A A . 4 HYP HD23 1 1 4 1381 1 1 4 HYP HG H -9.407 5.339 -2.161 1.00 . A A . 4 HYP HG 1 1 4 1382 1 1 4 HYP N N -6.389 4.871 -3.334 1.00 . A A . 4 HYP N 1 1 4 1383 1 1 4 HYP O O -6.722 2.718 -5.120 1.00 . A A . 4 HYP O 1 1 4 1384 1 1 4 HYP OD1 O -8.000 5.277 -0.655 1.00 . A A . 4 HYP OD1 1 1 4 1385 1 1 5 ASN C C -4.909 0.076 -5.356 1.00 . A A . 5 ASN C 1 1 4 1386 1 1 5 ASN CA C -6.104 0.007 -4.383 1.00 . A A . 5 ASN CA 1 1 4 1387 1 1 5 ASN CB C -7.453 -0.241 -5.182 1.00 . A A . 5 ASN CB 1 1 4 1388 1 1 5 ASN CG C -7.480 0.230 -6.657 1.00 . A A . 5 ASN CG 1 1 4 1389 1 1 5 ASN H H -6.167 1.108 -2.547 1.00 . A A . 5 ASN H 1 1 4 1390 1 1 5 ASN HA H -5.943 -0.837 -3.731 1.00 . A A . 5 ASN HA 1 1 4 1391 1 1 5 ASN HB2 H -7.656 -1.302 -5.175 1.00 . A A . 5 ASN HB2 1 1 4 1392 1 1 5 ASN HB3 H -8.264 0.249 -4.664 1.00 . A A . 5 ASN HB3 1 1 4 1393 1 1 5 ASN HD21 H -8.970 -1.002 -7.113 1.00 . A A . 5 ASN HD21 1 1 4 1394 1 1 5 ASN HD22 H -8.402 -0.045 -8.395 1.00 . A A . 5 ASN HD22 1 1 4 1395 1 1 5 ASN N N -6.275 1.221 -3.514 1.00 . A A . 5 ASN N 1 1 4 1396 1 1 5 ASN ND2 N -8.357 -0.318 -7.455 1.00 . A A . 5 ASN ND2 1 1 4 1397 1 1 5 ASN O O -4.597 -0.908 -6.000 1.00 . A A . 5 ASN O 1 1 4 1398 1 1 5 ASN OD1 O -6.734 1.076 -7.108 1.00 . A A . 5 ASN OD1 1 1 4 1399 1 1 6 GLN C C -1.918 0.545 -5.856 1.00 . A A . 6 GLN C 1 1 4 1400 1 1 6 GLN CA C -3.104 1.376 -6.362 1.00 . A A . 6 GLN CA 1 1 4 1401 1 1 6 GLN CB C -2.731 2.869 -6.421 1.00 . A A . 6 GLN CB 1 1 4 1402 1 1 6 GLN CD C -2.576 4.406 -8.400 1.00 . A A . 6 GLN CD 1 1 4 1403 1 1 6 GLN CG C -1.956 3.179 -7.719 1.00 . A A . 6 GLN CG 1 1 4 1404 1 1 6 GLN H H -4.565 1.985 -4.907 1.00 . A A . 6 GLN H 1 1 4 1405 1 1 6 GLN HA H -3.392 1.024 -7.343 1.00 . A A . 6 GLN HA 1 1 4 1406 1 1 6 GLN HB2 H -3.637 3.450 -6.381 1.00 . A A . 6 GLN HB2 1 1 4 1407 1 1 6 GLN HB3 H -2.125 3.137 -5.567 1.00 . A A . 6 GLN HB3 1 1 4 1408 1 1 6 GLN HE21 H -1.502 5.696 -7.345 1.00 . A A . 6 GLN HE21 1 1 4 1409 1 1 6 GLN HE22 H -2.575 6.392 -8.462 1.00 . A A . 6 GLN HE22 1 1 4 1410 1 1 6 GLN HG2 H -0.926 3.395 -7.480 1.00 . A A . 6 GLN HG2 1 1 4 1411 1 1 6 GLN HG3 H -1.983 2.349 -8.410 1.00 . A A . 6 GLN HG3 1 1 4 1412 1 1 6 GLN N N -4.275 1.219 -5.443 1.00 . A A . 6 GLN N 1 1 4 1413 1 1 6 GLN NE2 N -2.185 5.597 -8.039 1.00 . A A . 6 GLN NE2 1 1 4 1414 1 1 6 GLN O O -1.512 0.693 -4.719 1.00 . A A . 6 GLN O 1 1 4 1415 1 1 6 GLN OE1 O -3.423 4.292 -9.264 1.00 . A A . 6 GLN OE1 1 1 4 1416 1 1 7 LYS C C 0.886 -0.389 -5.681 1.00 . A A . 7 LYS C 1 1 4 1417 1 1 7 LYS CA C -0.242 -1.179 -6.367 1.00 . A A . 7 LYS CA 1 1 4 1418 1 1 7 LYS CB C 0.283 -1.853 -7.672 1.00 . A A . 7 LYS CB 1 1 4 1419 1 1 7 LYS CD C 0.818 -4.103 -6.611 1.00 . A A . 7 LYS CD 1 1 4 1420 1 1 7 LYS CE C 2.011 -4.800 -7.282 1.00 . A A . 7 LYS CE 1 1 4 1421 1 1 7 LYS CG C -0.053 -3.365 -7.664 1.00 . A A . 7 LYS CG 1 1 4 1422 1 1 7 LYS H H -1.791 -0.357 -7.618 1.00 . A A . 7 LYS H 1 1 4 1423 1 1 7 LYS HA H -0.595 -1.933 -5.679 1.00 . A A . 7 LYS HA 1 1 4 1424 1 1 7 LYS HB2 H -0.180 -1.396 -8.533 1.00 . A A . 7 LYS HB2 1 1 4 1425 1 1 7 LYS HB3 H 1.353 -1.731 -7.765 1.00 . A A . 7 LYS HB3 1 1 4 1426 1 1 7 LYS HD2 H 1.201 -3.405 -5.881 1.00 . A A . 7 LYS HD2 1 1 4 1427 1 1 7 LYS HD3 H 0.216 -4.838 -6.096 1.00 . A A . 7 LYS HD3 1 1 4 1428 1 1 7 LYS HE2 H 1.676 -5.624 -7.893 1.00 . A A . 7 LYS HE2 1 1 4 1429 1 1 7 LYS HE3 H 2.560 -4.102 -7.898 1.00 . A A . 7 LYS HE3 1 1 4 1430 1 1 7 LYS HG2 H -1.098 -3.501 -7.425 1.00 . A A . 7 LYS HG2 1 1 4 1431 1 1 7 LYS HG3 H 0.120 -3.772 -8.650 1.00 . A A . 7 LYS HG3 1 1 4 1432 1 1 7 LYS HZ1 H 2.374 -5.644 -5.413 1.00 . A A . 7 LYS HZ1 1 1 4 1433 1 1 7 LYS HZ2 H 3.471 -6.129 -6.616 1.00 . A A . 7 LYS HZ2 1 1 4 1434 1 1 7 LYS HZ3 H 3.585 -4.576 -5.939 1.00 . A A . 7 LYS HZ3 1 1 4 1435 1 1 7 LYS N N -1.404 -0.299 -6.719 1.00 . A A . 7 LYS N 1 1 4 1436 1 1 7 LYS NZ N 2.930 -5.328 -6.233 1.00 . A A . 7 LYS NZ 1 1 4 1437 1 1 7 LYS O O 1.631 0.332 -6.317 1.00 . A A . 7 LYS O 1 1 4 1438 1 1 8 CYS C C 2.479 -0.853 -2.473 1.00 . A A . 8 CYS C 1 1 4 1439 1 1 8 CYS CA C 1.977 0.117 -3.543 1.00 . A A . 8 CYS CA 1 1 4 1440 1 1 8 CYS CB C 1.333 1.334 -2.897 1.00 . A A . 8 CYS CB 1 1 4 1441 1 1 8 CYS H H 0.306 -1.162 -3.952 1.00 . A A . 8 CYS H 1 1 4 1442 1 1 8 CYS HA H 2.810 0.421 -4.161 1.00 . A A . 8 CYS HA 1 1 4 1443 1 1 8 CYS HB2 H 2.097 1.908 -2.402 1.00 . A A . 8 CYS HB2 1 1 4 1444 1 1 8 CYS HB3 H 0.931 1.951 -3.688 1.00 . A A . 8 CYS HB3 1 1 4 1445 1 1 8 CYS N N 0.950 -0.564 -4.386 1.00 . A A . 8 CYS N 1 1 4 1446 1 1 8 CYS O O 1.701 -1.544 -1.847 1.00 . A A . 8 CYS O 1 1 4 1447 1 1 8 CYS SG S 0.002 1.070 -1.702 1.00 . A A . 8 CYS SG 1 1 4 1448 1 1 9 PHE C C 4.472 -1.073 0.082 1.00 . A A . 9 PHE C 1 1 4 1449 1 1 9 PHE CA C 4.393 -1.769 -1.280 1.00 . A A . 9 PHE CA 1 1 4 1450 1 1 9 PHE CB C 5.807 -2.156 -1.765 1.00 . A A . 9 PHE CB 1 1 4 1451 1 1 9 PHE CD1 C 5.712 -4.631 -1.225 1.00 . A A . 9 PHE CD1 1 1 4 1452 1 1 9 PHE CD2 C 7.331 -3.302 -0.088 1.00 . A A . 9 PHE CD2 1 1 4 1453 1 1 9 PHE CE1 C 6.148 -5.746 -0.542 1.00 . A A . 9 PHE CE1 1 1 4 1454 1 1 9 PHE CE2 C 7.766 -4.417 0.596 1.00 . A A . 9 PHE CE2 1 1 4 1455 1 1 9 PHE CG C 6.299 -3.399 -1.004 1.00 . A A . 9 PHE CG 1 1 4 1456 1 1 9 PHE CZ C 7.174 -5.640 0.370 1.00 . A A . 9 PHE CZ 1 1 4 1457 1 1 9 PHE H H 4.338 -0.275 -2.834 1.00 . A A . 9 PHE H 1 1 4 1458 1 1 9 PHE HA H 3.784 -2.656 -1.180 1.00 . A A . 9 PHE HA 1 1 4 1459 1 1 9 PHE HB2 H 5.787 -2.384 -2.822 1.00 . A A . 9 PHE HB2 1 1 4 1460 1 1 9 PHE HB3 H 6.502 -1.346 -1.599 1.00 . A A . 9 PHE HB3 1 1 4 1461 1 1 9 PHE HD1 H 4.907 -4.720 -1.939 1.00 . A A . 9 PHE HD1 1 1 4 1462 1 1 9 PHE HD2 H 7.801 -2.348 0.093 1.00 . A A . 9 PHE HD2 1 1 4 1463 1 1 9 PHE HE1 H 5.683 -6.704 -0.721 1.00 . A A . 9 PHE HE1 1 1 4 1464 1 1 9 PHE HE2 H 8.572 -4.333 1.309 1.00 . A A . 9 PHE HE2 1 1 4 1465 1 1 9 PHE HZ H 7.516 -6.513 0.906 1.00 . A A . 9 PHE HZ 1 1 4 1466 1 1 9 PHE N N 3.773 -0.866 -2.295 1.00 . A A . 9 PHE N 1 1 4 1467 1 1 9 PHE O O 4.309 0.128 0.185 1.00 . A A . 9 PHE O 1 1 4 1468 1 1 10 GLN C C 5.846 -0.240 2.559 1.00 . A A . 10 GLN C 1 1 4 1469 1 1 10 GLN CA C 4.838 -1.397 2.488 1.00 . A A . 10 GLN CA 1 1 4 1470 1 1 10 GLN CB C 5.295 -2.585 3.366 1.00 . A A . 10 GLN CB 1 1 4 1471 1 1 10 GLN CD C 3.913 -4.437 2.308 1.00 . A A . 10 GLN CD 1 1 4 1472 1 1 10 GLN CG C 4.125 -3.583 3.571 1.00 . A A . 10 GLN CG 1 1 4 1473 1 1 10 GLN H H 4.834 -2.831 0.912 1.00 . A A . 10 GLN H 1 1 4 1474 1 1 10 GLN HA H 3.866 -1.049 2.794 1.00 . A A . 10 GLN HA 1 1 4 1475 1 1 10 GLN HB2 H 6.126 -3.091 2.895 1.00 . A A . 10 GLN HB2 1 1 4 1476 1 1 10 GLN HB3 H 5.623 -2.220 4.330 1.00 . A A . 10 GLN HB3 1 1 4 1477 1 1 10 GLN HE21 H 2.571 -3.196 1.534 1.00 . A A . 10 GLN HE21 1 1 4 1478 1 1 10 GLN HE22 H 2.913 -4.569 0.597 1.00 . A A . 10 GLN HE22 1 1 4 1479 1 1 10 GLN HG2 H 4.354 -4.243 4.396 1.00 . A A . 10 GLN HG2 1 1 4 1480 1 1 10 GLN HG3 H 3.208 -3.057 3.795 1.00 . A A . 10 GLN HG3 1 1 4 1481 1 1 10 GLN N N 4.721 -1.877 1.084 1.00 . A A . 10 GLN N 1 1 4 1482 1 1 10 GLN NE2 N 3.061 -4.034 1.404 1.00 . A A . 10 GLN NE2 1 1 4 1483 1 1 10 GLN O O 5.618 0.754 3.220 1.00 . A A . 10 GLN O 1 1 4 1484 1 1 10 GLN OE1 O 4.519 -5.476 2.134 1.00 . A A . 10 GLN OE1 1 1 4 1485 1 1 11 HIS C C 7.653 1.643 0.749 1.00 . A A . 11 HIS C 1 1 4 1486 1 1 11 HIS CA C 8.023 0.591 1.804 1.00 . A A . 11 HIS CA 1 1 4 1487 1 1 11 HIS CB C 9.339 -0.099 1.422 1.00 . A A . 11 HIS CB 1 1 4 1488 1 1 11 HIS CD2 C 9.239 -2.133 3.121 1.00 . A A . 11 HIS CD2 1 1 4 1489 1 1 11 HIS CE1 C 10.961 -1.709 4.197 1.00 . A A . 11 HIS CE1 1 1 4 1490 1 1 11 HIS CG C 9.799 -0.986 2.584 1.00 . A A . 11 HIS CG 1 1 4 1491 1 1 11 HIS H H 7.033 -1.264 1.354 1.00 . A A . 11 HIS H 1 1 4 1492 1 1 11 HIS HA H 8.112 1.072 2.766 1.00 . A A . 11 HIS HA 1 1 4 1493 1 1 11 HIS HB2 H 9.205 -0.715 0.546 1.00 . A A . 11 HIS HB2 1 1 4 1494 1 1 11 HIS HB3 H 10.106 0.636 1.222 1.00 . A A . 11 HIS HB3 1 1 4 1495 1 1 11 HIS HD1 H 11.484 -0.042 3.176 1.00 . A A . 11 HIS HD1 1 1 4 1496 1 1 11 HIS HD2 H 8.333 -2.604 2.770 1.00 . A A . 11 HIS HD2 1 1 4 1497 1 1 11 HIS HE1 H 11.762 -1.765 4.919 1.00 . A A . 11 HIS HE1 1 1 4 1498 1 1 11 HIS N N 6.933 -0.430 1.857 1.00 . A A . 11 HIS N 1 1 4 1499 1 1 11 HIS ND1 N 10.857 -0.784 3.297 1.00 . A A . 11 HIS ND1 1 1 4 1500 1 1 11 HIS NE2 N 9.977 -2.571 4.123 1.00 . A A . 11 HIS NE2 1 1 4 1501 1 1 11 HIS O O 7.949 2.811 0.910 1.00 . A A . 11 HIS O 1 1 4 1502 1 1 12 LEU C C 5.163 2.598 -1.115 1.00 . A A . 12 LEU C 1 1 4 1503 1 1 12 LEU CA C 6.585 2.089 -1.409 1.00 . A A . 12 LEU CA 1 1 4 1504 1 1 12 LEU CB C 6.620 1.296 -2.744 1.00 . A A . 12 LEU CB 1 1 4 1505 1 1 12 LEU CD1 C 7.958 -0.252 -4.219 1.00 . A A . 12 LEU CD1 1 1 4 1506 1 1 12 LEU CD2 C 9.028 1.847 -3.329 1.00 . A A . 12 LEU CD2 1 1 4 1507 1 1 12 LEU CG C 8.033 0.708 -3.011 1.00 . A A . 12 LEU CG 1 1 4 1508 1 1 12 LEU H H 6.812 0.225 -0.354 1.00 . A A . 12 LEU H 1 1 4 1509 1 1 12 LEU HA H 7.250 2.937 -1.466 1.00 . A A . 12 LEU HA 1 1 4 1510 1 1 12 LEU HB2 H 5.911 0.488 -2.691 1.00 . A A . 12 LEU HB2 1 1 4 1511 1 1 12 LEU HB3 H 6.331 1.943 -3.559 1.00 . A A . 12 LEU HB3 1 1 4 1512 1 1 12 LEU HD11 H 7.495 0.236 -5.064 1.00 . A A . 12 LEU HD11 1 1 4 1513 1 1 12 LEU HD12 H 8.948 -0.574 -4.505 1.00 . A A . 12 LEU HD12 1 1 4 1514 1 1 12 LEU HD13 H 7.377 -1.125 -3.962 1.00 . A A . 12 LEU HD13 1 1 4 1515 1 1 12 LEU HD21 H 8.582 2.565 -4.001 1.00 . A A . 12 LEU HD21 1 1 4 1516 1 1 12 LEU HD22 H 9.311 2.353 -2.417 1.00 . A A . 12 LEU HD22 1 1 4 1517 1 1 12 LEU HD23 H 9.921 1.449 -3.788 1.00 . A A . 12 LEU HD23 1 1 4 1518 1 1 12 LEU HG H 8.377 0.157 -2.148 1.00 . A A . 12 LEU HG 1 1 4 1519 1 1 12 LEU N N 7.014 1.182 -0.299 1.00 . A A . 12 LEU N 1 1 4 1520 1 1 12 LEU O O 4.293 2.570 -1.962 1.00 . A A . 12 LEU O 1 1 4 1521 1 1 13 ASP C C 3.496 5.025 0.044 1.00 . A A . 13 ASP C 1 1 4 1522 1 1 13 ASP CA C 3.664 3.584 0.562 1.00 . A A . 13 ASP CA 1 1 4 1523 1 1 13 ASP CB C 3.659 3.504 2.104 1.00 . A A . 13 ASP CB 1 1 4 1524 1 1 13 ASP CG C 2.329 4.029 2.672 1.00 . A A . 13 ASP CG 1 1 4 1525 1 1 13 ASP H H 5.735 3.040 0.730 1.00 . A A . 13 ASP H 1 1 4 1526 1 1 13 ASP HA H 2.875 2.968 0.155 1.00 . A A . 13 ASP HA 1 1 4 1527 1 1 13 ASP HB2 H 3.784 2.477 2.415 1.00 . A A . 13 ASP HB2 1 1 4 1528 1 1 13 ASP HB3 H 4.478 4.084 2.506 1.00 . A A . 13 ASP HB3 1 1 4 1529 1 1 13 ASP N N 4.984 3.050 0.102 1.00 . A A . 13 ASP N 1 1 4 1530 1 1 13 ASP O O 3.649 5.996 0.759 1.00 . A A . 13 ASP O 1 1 4 1531 1 1 13 ASP OD1 O 1.338 3.336 2.493 1.00 . A A . 13 ASP OD1 1 1 4 1532 1 1 13 ASP OD2 O 2.387 5.101 3.253 1.00 . A A . 13 ASP OD2 1 1 4 1533 1 1 14 ASP C C 1.495 6.831 -1.952 1.00 . A A . 14 ASP C 1 1 4 1534 1 1 14 ASP CA C 2.962 6.361 -1.965 1.00 . A A . 14 ASP CA 1 1 4 1535 1 1 14 ASP CB C 3.435 6.135 -3.416 1.00 . A A . 14 ASP CB 1 1 4 1536 1 1 14 ASP CG C 2.996 4.737 -3.923 1.00 . A A . 14 ASP CG 1 1 4 1537 1 1 14 ASP H H 3.071 4.243 -1.714 1.00 . A A . 14 ASP H 1 1 4 1538 1 1 14 ASP HA H 3.569 7.132 -1.514 1.00 . A A . 14 ASP HA 1 1 4 1539 1 1 14 ASP HB2 H 3.012 6.879 -4.070 1.00 . A A . 14 ASP HB2 1 1 4 1540 1 1 14 ASP HB3 H 4.511 6.211 -3.460 1.00 . A A . 14 ASP HB3 1 1 4 1541 1 1 14 ASP N N 3.177 5.081 -1.221 1.00 . A A . 14 ASP N 1 1 4 1542 1 1 14 ASP O O 1.170 7.845 -2.543 1.00 . A A . 14 ASP O 1 1 4 1543 1 1 14 ASP OD1 O 1.818 4.439 -3.786 1.00 . A A . 14 ASP OD1 1 1 4 1544 1 1 14 ASP OD2 O 3.865 4.039 -4.418 1.00 . A A . 14 ASP OD2 1 1 4 1545 1 1 15 CYS C C -1.090 7.780 -0.530 1.00 . A A . 15 CYS C 1 1 4 1546 1 1 15 CYS CA C -0.794 6.438 -1.203 1.00 . A A . 15 CYS CA 1 1 4 1547 1 1 15 CYS CB C -1.500 5.318 -0.458 1.00 . A A . 15 CYS CB 1 1 4 1548 1 1 15 CYS H H 0.968 5.282 -0.820 1.00 . A A . 15 CYS H 1 1 4 1549 1 1 15 CYS HA H -1.183 6.473 -2.208 1.00 . A A . 15 CYS HA 1 1 4 1550 1 1 15 CYS HB2 H -1.339 5.446 0.601 1.00 . A A . 15 CYS HB2 1 1 4 1551 1 1 15 CYS HB3 H -2.558 5.385 -0.649 1.00 . A A . 15 CYS HB3 1 1 4 1552 1 1 15 CYS N N 0.654 6.086 -1.281 1.00 . A A . 15 CYS N 1 1 4 1553 1 1 15 CYS O O -0.298 8.309 0.224 1.00 . A A . 15 CYS O 1 1 4 1554 1 1 15 CYS SG S -0.964 3.644 -0.879 1.00 . A A . 15 CYS SG 1 1 4 1555 1 1 16 CYS C C -3.153 9.329 1.149 1.00 . A A . 16 CYS C 1 1 4 1556 1 1 16 CYS CA C -2.766 9.564 -0.318 1.00 . A A . 16 CYS CA 1 1 4 1557 1 1 16 CYS CB C -3.983 9.987 -1.157 1.00 . A A . 16 CYS CB 1 1 4 1558 1 1 16 CYS H H -2.826 7.756 -1.464 1.00 . A A . 16 CYS H 1 1 4 1559 1 1 16 CYS HA H -1.983 10.303 -0.368 1.00 . A A . 16 CYS HA 1 1 4 1560 1 1 16 CYS HB2 H -3.884 9.562 -2.144 1.00 . A A . 16 CYS HB2 1 1 4 1561 1 1 16 CYS HB3 H -4.880 9.573 -0.720 1.00 . A A . 16 CYS HB3 1 1 4 1562 1 1 16 CYS N N -2.261 8.267 -0.852 1.00 . A A . 16 CYS N 1 1 4 1563 1 1 16 CYS O O -3.074 10.213 1.980 1.00 . A A . 16 CYS O 1 1 4 1564 1 1 16 CYS SG S -4.244 11.764 -1.358 1.00 . A A . 16 CYS SG 1 1 4 1565 1 1 17 SER C C -2.743 7.157 3.507 1.00 . A A . 17 SER C 1 1 4 1566 1 1 17 SER CA C -3.985 7.642 2.737 1.00 . A A . 17 SER CA 1 1 4 1567 1 1 17 SER CB C -4.971 6.500 2.541 1.00 . A A . 17 SER CB 1 1 4 1568 1 1 17 SER H H -3.606 7.462 0.660 1.00 . A A . 17 SER H 1 1 4 1569 1 1 17 SER HA H -4.448 8.455 3.279 1.00 . A A . 17 SER HA 1 1 4 1570 1 1 17 SER HB2 H -5.310 6.107 3.481 1.00 . A A . 17 SER HB2 1 1 4 1571 1 1 17 SER HB3 H -5.813 6.795 1.931 1.00 . A A . 17 SER HB3 1 1 4 1572 1 1 17 SER HG H -4.070 5.807 0.960 1.00 . A A . 17 SER HG 1 1 4 1573 1 1 17 SER N N -3.564 8.111 1.391 1.00 . A A . 17 SER N 1 1 4 1574 1 1 17 SER O O -2.798 6.942 4.702 1.00 . A A . 17 SER O 1 1 4 1575 1 1 17 SER OG O -4.212 5.506 1.861 1.00 . A A . 17 SER OG 1 1 4 1576 1 1 18 ARG C C -0.551 5.155 3.975 1.00 . A A . 18 ARG C 1 1 4 1577 1 1 18 ARG CA C -0.359 6.534 3.323 1.00 . A A . 18 ARG CA 1 1 4 1578 1 1 18 ARG CB C 0.169 7.580 4.368 1.00 . A A . 18 ARG CB 1 1 4 1579 1 1 18 ARG CD C -0.074 9.769 3.129 1.00 . A A . 18 ARG CD 1 1 4 1580 1 1 18 ARG CG C 0.924 8.715 3.637 1.00 . A A . 18 ARG CG 1 1 4 1581 1 1 18 ARG CZ C 0.037 11.305 1.251 1.00 . A A . 18 ARG CZ 1 1 4 1582 1 1 18 ARG H H -1.720 7.199 1.812 1.00 . A A . 18 ARG H 1 1 4 1583 1 1 18 ARG HA H 0.333 6.427 2.500 1.00 . A A . 18 ARG HA 1 1 4 1584 1 1 18 ARG HB2 H -0.640 7.994 4.952 1.00 . A A . 18 ARG HB2 1 1 4 1585 1 1 18 ARG HB3 H 0.862 7.106 5.047 1.00 . A A . 18 ARG HB3 1 1 4 1586 1 1 18 ARG HD2 H -0.869 9.303 2.573 1.00 . A A . 18 ARG HD2 1 1 4 1587 1 1 18 ARG HD3 H -0.494 10.326 3.955 1.00 . A A . 18 ARG HD3 1 1 4 1588 1 1 18 ARG HE H 1.611 10.889 2.389 1.00 . A A . 18 ARG HE 1 1 4 1589 1 1 18 ARG HG2 H 1.612 9.182 4.326 1.00 . A A . 18 ARG HG2 1 1 4 1590 1 1 18 ARG HG3 H 1.492 8.316 2.810 1.00 . A A . 18 ARG HG3 1 1 4 1591 1 1 18 ARG HH11 H -1.356 12.109 2.442 1.00 . A A . 18 ARG HH11 1 1 4 1592 1 1 18 ARG HH12 H -1.505 12.478 0.755 1.00 . A A . 18 ARG HH12 1 1 4 1593 1 1 18 ARG HH21 H 1.314 10.606 -0.121 1.00 . A A . 18 ARG HH21 1 1 4 1594 1 1 18 ARG HH22 H 0.038 11.609 -0.724 1.00 . A A . 18 ARG HH22 1 1 4 1595 1 1 18 ARG N N -1.667 7.000 2.769 1.00 . A A . 18 ARG N 1 1 4 1596 1 1 18 ARG NE N 0.660 10.713 2.236 1.00 . A A . 18 ARG NE 1 1 4 1597 1 1 18 ARG NH1 N -1.023 12.020 1.502 1.00 . A A . 18 ARG NH1 1 1 4 1598 1 1 18 ARG NH2 N 0.500 11.162 0.040 1.00 . A A . 18 ARG NH2 1 1 4 1599 1 1 18 ARG O O 0.057 4.831 4.978 1.00 . A A . 18 ARG O 1 1 4 1600 1 1 19 LYS C C -1.789 2.036 2.663 1.00 . A A . 19 LYS C 1 1 4 1601 1 1 19 LYS CA C -1.723 3.014 3.843 1.00 . A A . 19 LYS CA 1 1 4 1602 1 1 19 LYS CB C -3.065 3.073 4.566 1.00 . A A . 19 LYS CB 1 1 4 1603 1 1 19 LYS CD C -4.229 3.496 6.751 1.00 . A A . 19 LYS CD 1 1 4 1604 1 1 19 LYS CE C -4.029 3.727 8.257 1.00 . A A . 19 LYS CE 1 1 4 1605 1 1 19 LYS CG C -2.854 3.375 6.062 1.00 . A A . 19 LYS CG 1 1 4 1606 1 1 19 LYS H H -1.875 4.691 2.557 1.00 . A A . 19 LYS H 1 1 4 1607 1 1 19 LYS HA H -0.942 2.682 4.513 1.00 . A A . 19 LYS HA 1 1 4 1608 1 1 19 LYS HB2 H -3.685 3.840 4.124 1.00 . A A . 19 LYS HB2 1 1 4 1609 1 1 19 LYS HB3 H -3.557 2.128 4.432 1.00 . A A . 19 LYS HB3 1 1 4 1610 1 1 19 LYS HD2 H -4.775 4.329 6.331 1.00 . A A . 19 LYS HD2 1 1 4 1611 1 1 19 LYS HD3 H -4.804 2.595 6.594 1.00 . A A . 19 LYS HD3 1 1 4 1612 1 1 19 LYS HE2 H -3.329 4.532 8.430 1.00 . A A . 19 LYS HE2 1 1 4 1613 1 1 19 LYS HE3 H -4.971 3.980 8.722 1.00 . A A . 19 LYS HE3 1 1 4 1614 1 1 19 LYS HG2 H -2.282 2.580 6.516 1.00 . A A . 19 LYS HG2 1 1 4 1615 1 1 19 LYS HG3 H -2.310 4.302 6.176 1.00 . A A . 19 LYS HG3 1 1 4 1616 1 1 19 LYS HZ1 H -4.079 1.674 8.604 1.00 . A A . 19 LYS HZ1 1 1 4 1617 1 1 19 LYS HZ2 H -2.516 2.337 8.601 1.00 . A A . 19 LYS HZ2 1 1 4 1618 1 1 19 LYS HZ3 H -3.542 2.589 9.931 1.00 . A A . 19 LYS HZ3 1 1 4 1619 1 1 19 LYS N N -1.409 4.381 3.357 1.00 . A A . 19 LYS N 1 1 4 1620 1 1 19 LYS NZ N -3.502 2.488 8.897 1.00 . A A . 19 LYS NZ 1 1 4 1621 1 1 19 LYS O O -2.543 2.247 1.731 1.00 . A A . 19 LYS O 1 1 4 1622 1 1 20 CYS C C -1.244 -1.375 2.406 1.00 . A A . 20 CYS C 1 1 4 1623 1 1 20 CYS CA C -0.927 -0.048 1.701 1.00 . A A . 20 CYS CA 1 1 4 1624 1 1 20 CYS CB C 0.479 -0.019 1.118 1.00 . A A . 20 CYS CB 1 1 4 1625 1 1 20 CYS H H -0.397 0.892 3.516 1.00 . A A . 20 CYS H 1 1 4 1626 1 1 20 CYS HA H -1.666 0.152 0.942 1.00 . A A . 20 CYS HA 1 1 4 1627 1 1 20 CYS HB2 H 1.194 -0.033 1.927 1.00 . A A . 20 CYS HB2 1 1 4 1628 1 1 20 CYS HB3 H 0.620 -0.911 0.544 1.00 . A A . 20 CYS HB3 1 1 4 1629 1 1 20 CYS N N -0.990 1.002 2.749 1.00 . A A . 20 CYS N 1 1 4 1630 1 1 20 CYS O O -0.495 -1.820 3.256 1.00 . A A . 20 CYS O 1 1 4 1631 1 1 20 CYS SG S 0.839 1.433 0.099 1.00 . A A . 20 CYS SG 1 1 4 1632 1 1 21 ASN C C -1.884 -4.450 2.273 1.00 . A A . 21 ASN C 1 1 4 1633 1 1 21 ASN CA C -2.786 -3.262 2.639 1.00 . A A . 21 ASN CA 1 1 4 1634 1 1 21 ASN CB C -4.250 -3.560 2.191 1.00 . A A . 21 ASN CB 1 1 4 1635 1 1 21 ASN CG C -4.432 -3.342 0.680 1.00 . A A . 21 ASN CG 1 1 4 1636 1 1 21 ASN H H -2.902 -1.557 1.330 1.00 . A A . 21 ASN H 1 1 4 1637 1 1 21 ASN HA H -2.774 -3.149 3.713 1.00 . A A . 21 ASN HA 1 1 4 1638 1 1 21 ASN HB2 H -4.513 -4.582 2.422 1.00 . A A . 21 ASN HB2 1 1 4 1639 1 1 21 ASN HB3 H -4.931 -2.911 2.721 1.00 . A A . 21 ASN HB3 1 1 4 1640 1 1 21 ASN HD21 H -2.720 -4.218 0.223 1.00 . A A . 21 ASN HD21 1 1 4 1641 1 1 21 ASN HD22 H -3.613 -3.647 -1.098 1.00 . A A . 21 ASN HD22 1 1 4 1642 1 1 21 ASN N N -2.350 -1.967 2.029 1.00 . A A . 21 ASN N 1 1 4 1643 1 1 21 ASN ND2 N -3.511 -3.772 -0.135 1.00 . A A . 21 ASN ND2 1 1 4 1644 1 1 21 ASN O O -0.955 -4.329 1.497 1.00 . A A . 21 ASN O 1 1 4 1645 1 1 21 ASN OD1 O -5.409 -2.781 0.227 1.00 . A A . 21 ASN OD1 1 1 4 1646 1 1 22 ARG C C -1.425 -7.300 1.207 1.00 . A A . 22 ARG C 1 1 4 1647 1 1 22 ARG CA C -1.498 -6.851 2.678 1.00 . A A . 22 ARG CA 1 1 4 1648 1 1 22 ARG CB C -2.214 -7.916 3.527 1.00 . A A . 22 ARG CB 1 1 4 1649 1 1 22 ARG CD C -4.604 -8.386 4.250 1.00 . A A . 22 ARG CD 1 1 4 1650 1 1 22 ARG CG C -3.684 -8.088 3.050 1.00 . A A . 22 ARG CG 1 1 4 1651 1 1 22 ARG CZ C -4.994 -10.778 4.382 1.00 . A A . 22 ARG CZ 1 1 4 1652 1 1 22 ARG H H -2.980 -5.568 3.482 1.00 . A A . 22 ARG H 1 1 4 1653 1 1 22 ARG HA H -0.500 -6.716 3.055 1.00 . A A . 22 ARG HA 1 1 4 1654 1 1 22 ARG HB2 H -1.695 -8.856 3.435 1.00 . A A . 22 ARG HB2 1 1 4 1655 1 1 22 ARG HB3 H -2.184 -7.614 4.565 1.00 . A A . 22 ARG HB3 1 1 4 1656 1 1 22 ARG HD2 H -4.444 -7.668 5.042 1.00 . A A . 22 ARG HD2 1 1 4 1657 1 1 22 ARG HD3 H -5.640 -8.350 3.947 1.00 . A A . 22 ARG HD3 1 1 4 1658 1 1 22 ARG HE H -3.541 -9.876 5.390 1.00 . A A . 22 ARG HE 1 1 4 1659 1 1 22 ARG HG2 H -4.036 -7.190 2.564 1.00 . A A . 22 ARG HG2 1 1 4 1660 1 1 22 ARG HG3 H -3.732 -8.900 2.340 1.00 . A A . 22 ARG HG3 1 1 4 1661 1 1 22 ARG HH11 H -4.236 -10.770 2.529 1.00 . A A . 22 ARG HH11 1 1 4 1662 1 1 22 ARG HH12 H -5.407 -12.004 2.854 1.00 . A A . 22 ARG HH12 1 1 4 1663 1 1 22 ARG HH21 H -5.878 -10.968 6.165 1.00 . A A . 22 ARG HH21 1 1 4 1664 1 1 22 ARG HH22 H -6.361 -12.120 4.965 1.00 . A A . 22 ARG HH22 1 1 4 1665 1 1 22 ARG N N -2.220 -5.564 2.872 1.00 . A A . 22 ARG N 1 1 4 1666 1 1 22 ARG NE N -4.285 -9.751 4.764 1.00 . A A . 22 ARG NE 1 1 4 1667 1 1 22 ARG NH1 N -4.870 -11.218 3.159 1.00 . A A . 22 ARG NH1 1 1 4 1668 1 1 22 ARG NH2 N -5.808 -11.332 5.237 1.00 . A A . 22 ARG NH2 1 1 4 1669 1 1 22 ARG O O -0.609 -8.132 0.861 1.00 . A A . 22 ARG O 1 1 4 1670 1 1 23 PHE C C -1.368 -6.171 -1.850 1.00 . A A . 23 PHE C 1 1 4 1671 1 1 23 PHE CA C -2.318 -7.080 -1.057 1.00 . A A . 23 PHE CA 1 1 4 1672 1 1 23 PHE CB C -3.768 -6.917 -1.516 1.00 . A A . 23 PHE CB 1 1 4 1673 1 1 23 PHE CD1 C -4.651 -9.185 -0.793 1.00 . A A . 23 PHE CD1 1 1 4 1674 1 1 23 PHE CD2 C -5.531 -7.247 0.281 1.00 . A A . 23 PHE CD2 1 1 4 1675 1 1 23 PHE CE1 C -5.462 -9.985 -0.016 1.00 . A A . 23 PHE CE1 1 1 4 1676 1 1 23 PHE CE2 C -6.343 -8.047 1.059 1.00 . A A . 23 PHE CE2 1 1 4 1677 1 1 23 PHE CG C -4.677 -7.809 -0.652 1.00 . A A . 23 PHE CG 1 1 4 1678 1 1 23 PHE CZ C -6.309 -9.417 0.911 1.00 . A A . 23 PHE CZ 1 1 4 1679 1 1 23 PHE H H -2.918 -6.065 0.711 1.00 . A A . 23 PHE H 1 1 4 1680 1 1 23 PHE HA H -2.004 -8.106 -1.189 1.00 . A A . 23 PHE HA 1 1 4 1681 1 1 23 PHE HB2 H -4.085 -5.889 -1.424 1.00 . A A . 23 PHE HB2 1 1 4 1682 1 1 23 PHE HB3 H -3.859 -7.217 -2.544 1.00 . A A . 23 PHE HB3 1 1 4 1683 1 1 23 PHE HD1 H -3.989 -9.639 -1.517 1.00 . A A . 23 PHE HD1 1 1 4 1684 1 1 23 PHE HD2 H -5.563 -6.173 0.405 1.00 . A A . 23 PHE HD2 1 1 4 1685 1 1 23 PHE HE1 H -5.433 -11.059 -0.134 1.00 . A A . 23 PHE HE1 1 1 4 1686 1 1 23 PHE HE2 H -7.006 -7.600 1.785 1.00 . A A . 23 PHE HE2 1 1 4 1687 1 1 23 PHE HZ H -6.944 -10.044 1.519 1.00 . A A . 23 PHE HZ 1 1 4 1688 1 1 23 PHE N N -2.280 -6.733 0.391 1.00 . A A . 23 PHE N 1 1 4 1689 1 1 23 PHE O O -1.454 -6.085 -3.060 1.00 . A A . 23 PHE O 1 1 4 1690 1 1 24 ASN C C -0.144 -3.572 -2.632 1.00 . A A . 24 ASN C 1 1 4 1691 1 1 24 ASN CA C 0.523 -4.593 -1.709 1.00 . A A . 24 ASN CA 1 1 4 1692 1 1 24 ASN CB C 1.576 -5.428 -2.482 1.00 . A A . 24 ASN CB 1 1 4 1693 1 1 24 ASN CG C 2.110 -6.533 -1.560 1.00 . A A . 24 ASN CG 1 1 4 1694 1 1 24 ASN H H -0.492 -5.652 -0.151 1.00 . A A . 24 ASN H 1 1 4 1695 1 1 24 ASN HA H 0.989 -4.051 -0.900 1.00 . A A . 24 ASN HA 1 1 4 1696 1 1 24 ASN HB2 H 1.136 -5.882 -3.357 1.00 . A A . 24 ASN HB2 1 1 4 1697 1 1 24 ASN HB3 H 2.398 -4.797 -2.788 1.00 . A A . 24 ASN HB3 1 1 4 1698 1 1 24 ASN HD21 H 3.453 -5.350 -0.704 1.00 . A A . 24 ASN HD21 1 1 4 1699 1 1 24 ASN HD22 H 3.431 -6.950 -0.139 1.00 . A A . 24 ASN HD22 1 1 4 1700 1 1 24 ASN N N -0.488 -5.525 -1.121 1.00 . A A . 24 ASN N 1 1 4 1701 1 1 24 ASN ND2 N 3.079 -6.255 -0.732 1.00 . A A . 24 ASN ND2 1 1 4 1702 1 1 24 ASN O O 0.375 -3.211 -3.669 1.00 . A A . 24 ASN O 1 1 4 1703 1 1 24 ASN OD1 O 1.650 -7.657 -1.583 1.00 . A A . 24 ASN OD1 1 1 4 1704 1 1 25 LYS C C -2.507 -1.077 -1.909 1.00 . A A . 25 LYS C 1 1 4 1705 1 1 25 LYS CA C -2.118 -2.150 -2.923 1.00 . A A . 25 LYS CA 1 1 4 1706 1 1 25 LYS CB C -3.352 -2.861 -3.485 1.00 . A A . 25 LYS CB 1 1 4 1707 1 1 25 LYS CD C -4.327 -4.009 -5.496 1.00 . A A . 25 LYS CD 1 1 4 1708 1 1 25 LYS CE C -4.256 -3.989 -7.032 1.00 . A A . 25 LYS CE 1 1 4 1709 1 1 25 LYS CG C -3.048 -3.380 -4.904 1.00 . A A . 25 LYS CG 1 1 4 1710 1 1 25 LYS H H -1.645 -3.499 -1.341 1.00 . A A . 25 LYS H 1 1 4 1711 1 1 25 LYS HA H -1.532 -1.692 -3.703 1.00 . A A . 25 LYS HA 1 1 4 1712 1 1 25 LYS HB2 H -3.612 -3.704 -2.865 1.00 . A A . 25 LYS HB2 1 1 4 1713 1 1 25 LYS HB3 H -4.180 -2.178 -3.483 1.00 . A A . 25 LYS HB3 1 1 4 1714 1 1 25 LYS HD2 H -4.418 -5.031 -5.156 1.00 . A A . 25 LYS HD2 1 1 4 1715 1 1 25 LYS HD3 H -5.201 -3.460 -5.175 1.00 . A A . 25 LYS HD3 1 1 4 1716 1 1 25 LYS HE2 H -4.140 -2.980 -7.397 1.00 . A A . 25 LYS HE2 1 1 4 1717 1 1 25 LYS HE3 H -3.425 -4.587 -7.379 1.00 . A A . 25 LYS HE3 1 1 4 1718 1 1 25 LYS HG2 H -2.716 -2.560 -5.524 1.00 . A A . 25 LYS HG2 1 1 4 1719 1 1 25 LYS HG3 H -2.262 -4.121 -4.863 1.00 . A A . 25 LYS HG3 1 1 4 1720 1 1 25 LYS HZ1 H -5.869 -5.300 -6.967 1.00 . A A . 25 LYS HZ1 1 1 4 1721 1 1 25 LYS HZ2 H -6.227 -3.796 -7.670 1.00 . A A . 25 LYS HZ2 1 1 4 1722 1 1 25 LYS HZ3 H -5.328 -4.947 -8.539 1.00 . A A . 25 LYS HZ3 1 1 4 1723 1 1 25 LYS N N -1.296 -3.150 -2.188 1.00 . A A . 25 LYS N 1 1 4 1724 1 1 25 LYS NZ N -5.515 -4.550 -7.596 1.00 . A A . 25 LYS NZ 1 1 4 1725 1 1 25 LYS O O -2.448 -1.321 -0.720 1.00 . A A . 25 LYS O 1 1 4 1726 1 1 26 CYS C C -4.608 0.859 -0.748 1.00 . A A . 26 CYS C 1 1 4 1727 1 1 26 CYS CA C -3.281 1.162 -1.439 1.00 . A A . 26 CYS CA 1 1 4 1728 1 1 26 CYS CB C -3.373 2.471 -2.217 1.00 . A A . 26 CYS CB 1 1 4 1729 1 1 26 CYS H H -2.941 0.243 -3.346 1.00 . A A . 26 CYS H 1 1 4 1730 1 1 26 CYS HA H -2.514 1.257 -0.686 1.00 . A A . 26 CYS HA 1 1 4 1731 1 1 26 CYS HB2 H -3.936 2.290 -3.115 1.00 . A A . 26 CYS HB2 1 1 4 1732 1 1 26 CYS HB3 H -3.918 3.186 -1.627 1.00 . A A . 26 CYS HB3 1 1 4 1733 1 1 26 CYS N N -2.895 0.079 -2.384 1.00 . A A . 26 CYS N 1 1 4 1734 1 1 26 CYS O O -5.294 -0.089 -1.076 1.00 . A A . 26 CYS O 1 1 4 1735 1 1 26 CYS SG S -1.808 3.253 -2.673 1.00 . A A . 26 CYS SG 1 1 4 1736 1 1 27 VAL C C -6.886 2.937 1.034 1.00 . A A . 27 VAL C 1 1 4 1737 1 1 27 VAL CA C -6.157 1.579 1.007 1.00 . A A . 27 VAL CA 1 1 4 1738 1 1 27 VAL CB C -5.762 1.133 2.432 1.00 . A A . 27 VAL CB 1 1 4 1739 1 1 27 VAL CG1 C -7.024 0.753 3.235 1.00 . A A . 27 VAL CG1 1 1 4 1740 1 1 27 VAL CG2 C -4.834 -0.105 2.368 1.00 . A A . 27 VAL CG2 1 1 4 1741 1 1 27 VAL H H -4.285 2.434 0.399 1.00 . A A . 27 VAL H 1 1 4 1742 1 1 27 VAL HA H -6.805 0.845 0.551 1.00 . A A . 27 VAL HA 1 1 4 1743 1 1 27 VAL HB H -5.241 1.947 2.912 1.00 . A A . 27 VAL HB 1 1 4 1744 1 1 27 VAL HG11 H -7.645 0.082 2.658 1.00 . A A . 27 VAL HG11 1 1 4 1745 1 1 27 VAL HG12 H -6.747 0.262 4.156 1.00 . A A . 27 VAL HG12 1 1 4 1746 1 1 27 VAL HG13 H -7.593 1.639 3.475 1.00 . A A . 27 VAL HG13 1 1 4 1747 1 1 27 VAL HG21 H -5.344 -0.918 1.874 1.00 . A A . 27 VAL HG21 1 1 4 1748 1 1 27 VAL HG22 H -3.933 0.119 1.820 1.00 . A A . 27 VAL HG22 1 1 4 1749 1 1 27 VAL HG23 H -4.557 -0.421 3.363 1.00 . A A . 27 VAL HG23 1 1 4 1750 1 1 27 VAL N N -4.904 1.700 0.204 1.00 . A A . 27 VAL N 1 1 4 1751 1 1 27 VAL O O -6.193 3.932 0.923 1.00 . A A . 27 VAL O 1 1 4 1752 1 1 27 VAL OXT O -8.098 2.902 1.165 1.00 . A A . 27 VAL OXT 1 1 5 1753 1 1 1 CYS C C -1.696 10.200 -4.430 1.00 . A A . 1 CYS C 1 1 5 1754 1 1 1 CYS CA C -1.021 11.302 -3.587 1.00 . A A . 1 CYS CA 1 1 5 1755 1 1 1 CYS CB C -2.035 12.106 -2.715 1.00 . A A . 1 CYS CB 1 1 5 1756 1 1 1 CYS H1 H 0.285 11.730 -5.152 1.00 . A A . 1 CYS H1 1 1 5 1757 1 1 1 CYS H2 H -1.150 12.637 -5.179 1.00 . A A . 1 CYS H2 1 1 5 1758 1 1 1 CYS H3 H 0.069 13.010 -4.058 1.00 . A A . 1 CYS H3 1 1 5 1759 1 1 1 CYS HA H -0.240 10.869 -2.978 1.00 . A A . 1 CYS HA 1 1 5 1760 1 1 1 CYS HB2 H -1.874 11.826 -1.687 1.00 . A A . 1 CYS HB2 1 1 5 1761 1 1 1 CYS HB3 H -1.771 13.152 -2.787 1.00 . A A . 1 CYS HB3 1 1 5 1762 1 1 1 CYS N N -0.408 12.241 -4.569 1.00 . A A . 1 CYS N 1 1 5 1763 1 1 1 CYS O O -2.604 10.471 -5.193 1.00 . A A . 1 CYS O 1 1 5 1764 1 1 1 CYS SG S -3.816 12.016 -3.031 1.00 . A A . 1 CYS SG 1 1 5 1765 1 1 2 ARG C C -3.162 7.406 -4.493 1.00 . A A . 2 ARG C 1 1 5 1766 1 1 2 ARG CA C -1.785 7.821 -5.024 1.00 . A A . 2 ARG CA 1 1 5 1767 1 1 2 ARG CB C -0.776 6.647 -4.913 1.00 . A A . 2 ARG CB 1 1 5 1768 1 1 2 ARG CD C 0.167 5.908 -7.148 1.00 . A A . 2 ARG CD 1 1 5 1769 1 1 2 ARG CG C -0.929 5.662 -6.094 1.00 . A A . 2 ARG CG 1 1 5 1770 1 1 2 ARG CZ C 1.922 4.230 -6.993 1.00 . A A . 2 ARG CZ 1 1 5 1771 1 1 2 ARG H H -0.502 8.839 -3.623 1.00 . A A . 2 ARG H 1 1 5 1772 1 1 2 ARG HA H -1.885 8.110 -6.061 1.00 . A A . 2 ARG HA 1 1 5 1773 1 1 2 ARG HB2 H 0.232 7.037 -4.884 1.00 . A A . 2 ARG HB2 1 1 5 1774 1 1 2 ARG HB3 H -0.941 6.090 -4.007 1.00 . A A . 2 ARG HB3 1 1 5 1775 1 1 2 ARG HD2 H -0.071 5.389 -8.066 1.00 . A A . 2 ARG HD2 1 1 5 1776 1 1 2 ARG HD3 H 0.268 6.963 -7.357 1.00 . A A . 2 ARG HD3 1 1 5 1777 1 1 2 ARG HE H 1.971 5.928 -5.967 1.00 . A A . 2 ARG HE 1 1 5 1778 1 1 2 ARG HG2 H -0.825 4.657 -5.713 1.00 . A A . 2 ARG HG2 1 1 5 1779 1 1 2 ARG HG3 H -1.904 5.753 -6.547 1.00 . A A . 2 ARG HG3 1 1 5 1780 1 1 2 ARG HH11 H 0.684 3.211 -5.794 1.00 . A A . 2 ARG HH11 1 1 5 1781 1 1 2 ARG HH12 H 1.757 2.251 -6.759 1.00 . A A . 2 ARG HH12 1 1 5 1782 1 1 2 ARG HH21 H 3.244 5.039 -8.258 1.00 . A A . 2 ARG HH21 1 1 5 1783 1 1 2 ARG HH22 H 3.239 3.309 -8.182 1.00 . A A . 2 ARG HH22 1 1 5 1784 1 1 2 ARG N N -1.227 8.987 -4.263 1.00 . A A . 2 ARG N 1 1 5 1785 1 1 2 ARG NE N 1.463 5.392 -6.610 1.00 . A A . 2 ARG NE 1 1 5 1786 1 1 2 ARG NH1 N 1.414 3.146 -6.474 1.00 . A A . 2 ARG NH1 1 1 5 1787 1 1 2 ARG NH2 N 2.876 4.190 -7.880 1.00 . A A . 2 ARG NH2 1 1 5 1788 1 1 2 ARG O O -3.426 7.491 -3.312 1.00 . A A . 2 ARG O 1 1 5 1789 1 1 3 ILE C C -5.371 5.177 -4.260 1.00 . A A . 3 ILE C 1 1 5 1790 1 1 3 ILE CA C -5.382 6.529 -5.010 1.00 . A A . 3 ILE CA 1 1 5 1791 1 1 3 ILE CB C -6.214 6.424 -6.304 1.00 . A A . 3 ILE CB 1 1 5 1792 1 1 3 ILE CD1 C -6.415 4.931 -8.333 1.00 . A A . 3 ILE CD1 1 1 5 1793 1 1 3 ILE CG1 C -5.432 5.612 -7.382 1.00 . A A . 3 ILE CG1 1 1 5 1794 1 1 3 ILE CG2 C -6.503 7.846 -6.833 1.00 . A A . 3 ILE CG2 1 1 5 1795 1 1 3 ILE H H -3.750 6.909 -6.333 1.00 . A A . 3 ILE H 1 1 5 1796 1 1 3 ILE HA H -5.805 7.287 -4.365 1.00 . A A . 3 ILE HA 1 1 5 1797 1 1 3 ILE HB H -7.147 5.932 -6.086 1.00 . A A . 3 ILE HB 1 1 5 1798 1 1 3 ILE HD11 H -7.070 4.275 -7.781 1.00 . A A . 3 ILE HD11 1 1 5 1799 1 1 3 ILE HD12 H -7.005 5.675 -8.849 1.00 . A A . 3 ILE HD12 1 1 5 1800 1 1 3 ILE HD13 H -5.869 4.349 -9.060 1.00 . A A . 3 ILE HD13 1 1 5 1801 1 1 3 ILE HG12 H -4.779 6.261 -7.945 1.00 . A A . 3 ILE HG12 1 1 5 1802 1 1 3 ILE HG13 H -4.830 4.853 -6.909 1.00 . A A . 3 ILE HG13 1 1 5 1803 1 1 3 ILE HG21 H -5.581 8.384 -6.994 1.00 . A A . 3 ILE HG21 1 1 5 1804 1 1 3 ILE HG22 H -7.043 7.795 -7.767 1.00 . A A . 3 ILE HG22 1 1 5 1805 1 1 3 ILE HG23 H -7.101 8.391 -6.116 1.00 . A A . 3 ILE HG23 1 1 5 1806 1 1 3 ILE N N -4.006 6.964 -5.390 1.00 . A A . 3 ILE N 1 1 5 1807 1 1 3 ILE O O -4.405 4.446 -4.358 1.00 . A A . 3 ILE O 1 1 5 1808 1 1 4 HYP C C -6.518 2.396 -4.042 1.00 . A A . 4 HYP C 1 1 5 1809 1 1 4 HYP CA C -6.683 3.511 -2.996 1.00 . A A . 4 HYP CA 1 1 5 1810 1 1 4 HYP CB C -8.103 3.542 -2.420 1.00 . A A . 4 HYP CB 1 1 5 1811 1 1 4 HYP CD C -7.501 5.852 -3.169 1.00 . A A . 4 HYP CD 1 1 5 1812 1 1 4 HYP CG C -8.479 5.041 -2.294 1.00 . A A . 4 HYP CG 1 1 5 1813 1 1 4 HYP HA H -5.992 3.333 -2.187 1.00 . A A . 4 HYP HA 1 1 5 1814 1 1 4 HYP HB2 H -8.138 3.038 -1.467 1.00 . A A . 4 HYP HB2 1 1 5 1815 1 1 4 HYP HB3 H -8.795 3.056 -3.093 1.00 . A A . 4 HYP HB3 1 1 5 1816 1 1 4 HYP HD1 H -8.240 6.339 -0.865 1.00 . A A . 4 HYP HD1 1 1 5 1817 1 1 4 HYP HD22 H -7.065 6.679 -2.628 1.00 . A A . 4 HYP HD22 1 1 5 1818 1 1 4 HYP HD23 H -7.993 6.211 -4.062 1.00 . A A . 4 HYP HD23 1 1 5 1819 1 1 4 HYP HG H -9.520 5.249 -2.495 1.00 . A A . 4 HYP HG 1 1 5 1820 1 1 4 HYP N N -6.434 4.878 -3.538 1.00 . A A . 4 HYP N 1 1 5 1821 1 1 4 HYP O O -6.604 2.642 -5.229 1.00 . A A . 4 HYP O 1 1 5 1822 1 1 4 HYP OD1 O -8.151 5.387 -0.954 1.00 . A A . 4 HYP OD1 1 1 5 1823 1 1 5 ASN C C -4.899 -0.030 -5.313 1.00 . A A . 5 ASN C 1 1 5 1824 1 1 5 ASN CA C -6.085 -0.043 -4.326 1.00 . A A . 5 ASN CA 1 1 5 1825 1 1 5 ASN CB C -7.439 -0.360 -5.083 1.00 . A A . 5 ASN CB 1 1 5 1826 1 1 5 ASN CG C -7.502 0.034 -6.578 1.00 . A A . 5 ASN CG 1 1 5 1827 1 1 5 ASN H H -6.237 1.150 -2.552 1.00 . A A . 5 ASN H 1 1 5 1828 1 1 5 ASN HA H -5.911 -0.841 -3.620 1.00 . A A . 5 ASN HA 1 1 5 1829 1 1 5 ASN HB2 H -7.618 -1.424 -5.018 1.00 . A A . 5 ASN HB2 1 1 5 1830 1 1 5 ASN HB3 H -8.255 0.136 -4.577 1.00 . A A . 5 ASN HB3 1 1 5 1831 1 1 5 ASN HD21 H -8.967 -1.253 -6.944 1.00 . A A . 5 ASN HD21 1 1 5 1832 1 1 5 ASN HD22 H -8.448 -0.346 -8.283 1.00 . A A . 5 ASN HD22 1 1 5 1833 1 1 5 ASN N N -6.284 1.214 -3.528 1.00 . A A . 5 ASN N 1 1 5 1834 1 1 5 ASN ND2 N -8.379 -0.572 -7.331 1.00 . A A . 5 ASN ND2 1 1 5 1835 1 1 5 ASN O O -4.645 -1.028 -5.959 1.00 . A A . 5 ASN O 1 1 5 1836 1 1 5 ASN OD1 O -6.783 0.873 -7.083 1.00 . A A . 5 ASN OD1 1 1 5 1837 1 1 6 GLN C C -1.834 0.406 -5.783 1.00 . A A . 6 GLN C 1 1 5 1838 1 1 6 GLN CA C -3.043 1.167 -6.348 1.00 . A A . 6 GLN CA 1 1 5 1839 1 1 6 GLN CB C -2.680 2.645 -6.551 1.00 . A A . 6 GLN CB 1 1 5 1840 1 1 6 GLN CD C -2.869 3.573 -8.879 1.00 . A A . 6 GLN CD 1 1 5 1841 1 1 6 GLN CG C -1.950 2.825 -7.907 1.00 . A A . 6 GLN CG 1 1 5 1842 1 1 6 GLN H H -4.451 1.859 -4.874 1.00 . A A . 6 GLN H 1 1 5 1843 1 1 6 GLN HA H -3.330 0.724 -7.292 1.00 . A A . 6 GLN HA 1 1 5 1844 1 1 6 GLN HB2 H -3.583 3.235 -6.527 1.00 . A A . 6 GLN HB2 1 1 5 1845 1 1 6 GLN HB3 H -2.043 2.977 -5.746 1.00 . A A . 6 GLN HB3 1 1 5 1846 1 1 6 GLN HE21 H -2.036 5.336 -8.507 1.00 . A A . 6 GLN HE21 1 1 5 1847 1 1 6 GLN HE22 H -3.306 5.358 -9.636 1.00 . A A . 6 GLN HE22 1 1 5 1848 1 1 6 GLN HG2 H -1.045 3.398 -7.771 1.00 . A A . 6 GLN HG2 1 1 5 1849 1 1 6 GLN HG3 H -1.687 1.873 -8.346 1.00 . A A . 6 GLN HG3 1 1 5 1850 1 1 6 GLN N N -4.207 1.079 -5.413 1.00 . A A . 6 GLN N 1 1 5 1851 1 1 6 GLN NE2 N -2.725 4.863 -9.020 1.00 . A A . 6 GLN NE2 1 1 5 1852 1 1 6 GLN O O -1.429 0.641 -4.661 1.00 . A A . 6 GLN O 1 1 5 1853 1 1 6 GLN OE1 O -3.725 2.992 -9.516 1.00 . A A . 6 GLN OE1 1 1 5 1854 1 1 7 LYS C C 1.013 -0.487 -5.552 1.00 . A A . 7 LYS C 1 1 5 1855 1 1 7 LYS CA C -0.119 -1.308 -6.196 1.00 . A A . 7 LYS CA 1 1 5 1856 1 1 7 LYS CB C 0.411 -2.037 -7.453 1.00 . A A . 7 LYS CB 1 1 5 1857 1 1 7 LYS CD C -0.124 -4.462 -6.906 1.00 . A A . 7 LYS CD 1 1 5 1858 1 1 7 LYS CE C 0.901 -5.340 -7.643 1.00 . A A . 7 LYS CE 1 1 5 1859 1 1 7 LYS CG C -0.507 -3.239 -7.785 1.00 . A A . 7 LYS CG 1 1 5 1860 1 1 7 LYS H H -1.692 -0.599 -7.483 1.00 . A A . 7 LYS H 1 1 5 1861 1 1 7 LYS HA H -0.457 -2.044 -5.484 1.00 . A A . 7 LYS HA 1 1 5 1862 1 1 7 LYS HB2 H 0.432 -1.357 -8.292 1.00 . A A . 7 LYS HB2 1 1 5 1863 1 1 7 LYS HB3 H 1.418 -2.389 -7.278 1.00 . A A . 7 LYS HB3 1 1 5 1864 1 1 7 LYS HD2 H 0.299 -4.139 -5.966 1.00 . A A . 7 LYS HD2 1 1 5 1865 1 1 7 LYS HD3 H -1.006 -5.048 -6.695 1.00 . A A . 7 LYS HD3 1 1 5 1866 1 1 7 LYS HE2 H 1.689 -4.733 -8.066 1.00 . A A . 7 LYS HE2 1 1 5 1867 1 1 7 LYS HE3 H 1.340 -6.051 -6.959 1.00 . A A . 7 LYS HE3 1 1 5 1868 1 1 7 LYS HG2 H -1.539 -2.978 -7.607 1.00 . A A . 7 LYS HG2 1 1 5 1869 1 1 7 LYS HG3 H -0.403 -3.484 -8.832 1.00 . A A . 7 LYS HG3 1 1 5 1870 1 1 7 LYS HZ1 H -0.393 -5.446 -9.269 1.00 . A A . 7 LYS HZ1 1 1 5 1871 1 1 7 LYS HZ2 H 0.949 -6.481 -9.384 1.00 . A A . 7 LYS HZ2 1 1 5 1872 1 1 7 LYS HZ3 H -0.334 -6.863 -8.336 1.00 . A A . 7 LYS HZ3 1 1 5 1873 1 1 7 LYS N N -1.302 -0.477 -6.592 1.00 . A A . 7 LYS N 1 1 5 1874 1 1 7 LYS NZ N 0.231 -6.090 -8.741 1.00 . A A . 7 LYS NZ 1 1 5 1875 1 1 7 LYS O O 1.757 0.195 -6.231 1.00 . A A . 7 LYS O 1 1 5 1876 1 1 8 CYS C C 2.675 -0.758 -2.336 1.00 . A A . 8 CYS C 1 1 5 1877 1 1 8 CYS CA C 2.133 0.137 -3.458 1.00 . A A . 8 CYS CA 1 1 5 1878 1 1 8 CYS CB C 1.504 1.386 -2.872 1.00 . A A . 8 CYS CB 1 1 5 1879 1 1 8 CYS H H 0.449 -1.157 -3.776 1.00 . A A . 8 CYS H 1 1 5 1880 1 1 8 CYS HA H 2.954 0.409 -4.107 1.00 . A A . 8 CYS HA 1 1 5 1881 1 1 8 CYS HB2 H 2.269 1.949 -2.359 1.00 . A A . 8 CYS HB2 1 1 5 1882 1 1 8 CYS HB3 H 1.158 1.987 -3.702 1.00 . A A . 8 CYS HB3 1 1 5 1883 1 1 8 CYS N N 1.093 -0.590 -4.248 1.00 . A A . 8 CYS N 1 1 5 1884 1 1 8 CYS O O 2.001 -1.654 -1.867 1.00 . A A . 8 CYS O 1 1 5 1885 1 1 8 CYS SG S 0.102 1.192 -1.746 1.00 . A A . 8 CYS SG 1 1 5 1886 1 1 9 PHE C C 4.275 -0.663 0.526 1.00 . A A . 9 PHE C 1 1 5 1887 1 1 9 PHE CA C 4.556 -1.259 -0.857 1.00 . A A . 9 PHE CA 1 1 5 1888 1 1 9 PHE CB C 6.076 -1.274 -1.114 1.00 . A A . 9 PHE CB 1 1 5 1889 1 1 9 PHE CD1 C 6.499 -2.949 -2.972 1.00 . A A . 9 PHE CD1 1 1 5 1890 1 1 9 PHE CD2 C 6.456 -0.635 -3.546 1.00 . A A . 9 PHE CD2 1 1 5 1891 1 1 9 PHE CE1 C 6.745 -3.270 -4.291 1.00 . A A . 9 PHE CE1 1 1 5 1892 1 1 9 PHE CE2 C 6.702 -0.955 -4.865 1.00 . A A . 9 PHE CE2 1 1 5 1893 1 1 9 PHE CG C 6.352 -1.629 -2.586 1.00 . A A . 9 PHE CG 1 1 5 1894 1 1 9 PHE CZ C 6.846 -2.273 -5.239 1.00 . A A . 9 PHE CZ 1 1 5 1895 1 1 9 PHE H H 4.369 0.271 -2.362 1.00 . A A . 9 PHE H 1 1 5 1896 1 1 9 PHE HA H 4.187 -2.275 -0.879 1.00 . A A . 9 PHE HA 1 1 5 1897 1 1 9 PHE HB2 H 6.504 -0.307 -0.898 1.00 . A A . 9 PHE HB2 1 1 5 1898 1 1 9 PHE HB3 H 6.551 -2.009 -0.482 1.00 . A A . 9 PHE HB3 1 1 5 1899 1 1 9 PHE HD1 H 6.421 -3.736 -2.237 1.00 . A A . 9 PHE HD1 1 1 5 1900 1 1 9 PHE HD2 H 6.344 0.401 -3.268 1.00 . A A . 9 PHE HD2 1 1 5 1901 1 1 9 PHE HE1 H 6.858 -4.303 -4.583 1.00 . A A . 9 PHE HE1 1 1 5 1902 1 1 9 PHE HE2 H 6.782 -0.171 -5.603 1.00 . A A . 9 PHE HE2 1 1 5 1903 1 1 9 PHE HZ H 7.039 -2.523 -6.271 1.00 . A A . 9 PHE HZ 1 1 5 1904 1 1 9 PHE N N 3.888 -0.471 -1.941 1.00 . A A . 9 PHE N 1 1 5 1905 1 1 9 PHE O O 4.110 0.533 0.671 1.00 . A A . 9 PHE O 1 1 5 1906 1 1 10 GLN C C 4.987 -0.099 3.385 1.00 . A A . 10 GLN C 1 1 5 1907 1 1 10 GLN CA C 3.971 -1.147 2.912 1.00 . A A . 10 GLN CA 1 1 5 1908 1 1 10 GLN CB C 4.059 -2.403 3.806 1.00 . A A . 10 GLN CB 1 1 5 1909 1 1 10 GLN CD C 2.750 -4.049 2.412 1.00 . A A . 10 GLN CD 1 1 5 1910 1 1 10 GLN CG C 2.752 -3.223 3.708 1.00 . A A . 10 GLN CG 1 1 5 1911 1 1 10 GLN H H 4.366 -2.487 1.302 1.00 . A A . 10 GLN H 1 1 5 1912 1 1 10 GLN HA H 2.982 -0.727 2.951 1.00 . A A . 10 GLN HA 1 1 5 1913 1 1 10 GLN HB2 H 4.900 -3.009 3.506 1.00 . A A . 10 GLN HB2 1 1 5 1914 1 1 10 GLN HB3 H 4.207 -2.107 4.834 1.00 . A A . 10 GLN HB3 1 1 5 1915 1 1 10 GLN HE21 H 1.810 -2.648 1.367 1.00 . A A . 10 GLN HE21 1 1 5 1916 1 1 10 GLN HE22 H 2.204 -4.060 0.508 1.00 . A A . 10 GLN HE22 1 1 5 1917 1 1 10 GLN HG2 H 2.678 -3.897 4.549 1.00 . A A . 10 GLN HG2 1 1 5 1918 1 1 10 GLN HG3 H 1.891 -2.571 3.710 1.00 . A A . 10 GLN HG3 1 1 5 1919 1 1 10 GLN N N 4.231 -1.541 1.498 1.00 . A A . 10 GLN N 1 1 5 1920 1 1 10 GLN NE2 N 2.209 -3.542 1.339 1.00 . A A . 10 GLN NE2 1 1 5 1921 1 1 10 GLN O O 4.666 0.762 4.180 1.00 . A A . 10 GLN O 1 1 5 1922 1 1 10 GLN OE1 O 3.239 -5.159 2.363 1.00 . A A . 10 GLN OE1 1 1 5 1923 1 1 11 HIS C C 7.179 1.958 2.326 1.00 . A A . 11 HIS C 1 1 5 1924 1 1 11 HIS CA C 7.287 0.718 3.224 1.00 . A A . 11 HIS CA 1 1 5 1925 1 1 11 HIS CB C 8.643 0.011 3.001 1.00 . A A . 11 HIS CB 1 1 5 1926 1 1 11 HIS CD2 C 8.025 -2.401 3.933 1.00 . A A . 11 HIS CD2 1 1 5 1927 1 1 11 HIS CE1 C 9.432 -2.506 5.453 1.00 . A A . 11 HIS CE1 1 1 5 1928 1 1 11 HIS CG C 8.750 -1.220 3.915 1.00 . A A . 11 HIS CG 1 1 5 1929 1 1 11 HIS H H 6.357 -0.948 2.232 1.00 . A A . 11 HIS H 1 1 5 1930 1 1 11 HIS HA H 7.186 1.019 4.256 1.00 . A A . 11 HIS HA 1 1 5 1931 1 1 11 HIS HB2 H 8.736 -0.314 1.975 1.00 . A A . 11 HIS HB2 1 1 5 1932 1 1 11 HIS HB3 H 9.456 0.685 3.230 1.00 . A A . 11 HIS HB3 1 1 5 1933 1 1 11 HIS HD1 H 10.271 -0.692 5.141 1.00 . A A . 11 HIS HD1 1 1 5 1934 1 1 11 HIS HD2 H 7.218 -2.645 3.258 1.00 . A A . 11 HIS HD2 1 1 5 1935 1 1 11 HIS HE1 H 10.020 -2.860 6.289 1.00 . A A . 11 HIS HE1 1 1 5 1936 1 1 11 HIS N N 6.183 -0.223 2.868 1.00 . A A . 11 HIS N 1 1 5 1937 1 1 11 HIS ND1 N 9.600 -1.357 4.881 1.00 . A A . 11 HIS ND1 1 1 5 1938 1 1 11 HIS NE2 N 8.462 -3.188 4.896 1.00 . A A . 11 HIS NE2 1 1 5 1939 1 1 11 HIS O O 7.243 3.076 2.799 1.00 . A A . 11 HIS O 1 1 5 1940 1 1 12 LEU C C 5.404 3.078 -0.215 1.00 . A A . 12 LEU C 1 1 5 1941 1 1 12 LEU CA C 6.890 2.800 0.043 1.00 . A A . 12 LEU CA 1 1 5 1942 1 1 12 LEU CB C 7.597 2.373 -1.272 1.00 . A A . 12 LEU CB 1 1 5 1943 1 1 12 LEU CD1 C 9.646 1.332 -2.315 1.00 . A A . 12 LEU CD1 1 1 5 1944 1 1 12 LEU CD2 C 9.917 3.166 -0.614 1.00 . A A . 12 LEU CD2 1 1 5 1945 1 1 12 LEU CG C 9.069 1.938 -1.015 1.00 . A A . 12 LEU CG 1 1 5 1946 1 1 12 LEU H H 6.971 0.767 0.758 1.00 . A A . 12 LEU H 1 1 5 1947 1 1 12 LEU HA H 7.337 3.704 0.428 1.00 . A A . 12 LEU HA 1 1 5 1948 1 1 12 LEU HB2 H 7.054 1.556 -1.714 1.00 . A A . 12 LEU HB2 1 1 5 1949 1 1 12 LEU HB3 H 7.581 3.201 -1.965 1.00 . A A . 12 LEU HB3 1 1 5 1950 1 1 12 LEU HD11 H 9.422 1.966 -3.161 1.00 . A A . 12 LEU HD11 1 1 5 1951 1 1 12 LEU HD12 H 10.718 1.226 -2.237 1.00 . A A . 12 LEU HD12 1 1 5 1952 1 1 12 LEU HD13 H 9.218 0.356 -2.492 1.00 . A A . 12 LEU HD13 1 1 5 1953 1 1 12 LEU HD21 H 9.791 3.962 -1.334 1.00 . A A . 12 LEU HD21 1 1 5 1954 1 1 12 LEU HD22 H 9.616 3.527 0.359 1.00 . A A . 12 LEU HD22 1 1 5 1955 1 1 12 LEU HD23 H 10.962 2.899 -0.570 1.00 . A A . 12 LEU HD23 1 1 5 1956 1 1 12 LEU HG H 9.114 1.197 -0.231 1.00 . A A . 12 LEU HG 1 1 5 1957 1 1 12 LEU N N 7.014 1.700 1.051 1.00 . A A . 12 LEU N 1 1 5 1958 1 1 12 LEU O O 4.904 2.934 -1.316 1.00 . A A . 12 LEU O 1 1 5 1959 1 1 13 ASP C C 3.151 5.177 0.116 1.00 . A A . 13 ASP C 1 1 5 1960 1 1 13 ASP CA C 3.286 3.786 0.745 1.00 . A A . 13 ASP CA 1 1 5 1961 1 1 13 ASP CB C 2.638 3.762 2.161 1.00 . A A . 13 ASP CB 1 1 5 1962 1 1 13 ASP CG C 3.580 4.304 3.255 1.00 . A A . 13 ASP CG 1 1 5 1963 1 1 13 ASP H H 5.210 3.566 1.696 1.00 . A A . 13 ASP H 1 1 5 1964 1 1 13 ASP HA H 2.809 3.056 0.108 1.00 . A A . 13 ASP HA 1 1 5 1965 1 1 13 ASP HB2 H 1.740 4.360 2.138 1.00 . A A . 13 ASP HB2 1 1 5 1966 1 1 13 ASP HB3 H 2.357 2.749 2.416 1.00 . A A . 13 ASP HB3 1 1 5 1967 1 1 13 ASP N N 4.742 3.474 0.841 1.00 . A A . 13 ASP N 1 1 5 1968 1 1 13 ASP O O 3.290 6.195 0.766 1.00 . A A . 13 ASP O 1 1 5 1969 1 1 13 ASP OD1 O 4.431 3.537 3.674 1.00 . A A . 13 ASP OD1 1 1 5 1970 1 1 13 ASP OD2 O 3.393 5.455 3.611 1.00 . A A . 13 ASP OD2 1 1 5 1971 1 1 14 ASP C C 1.244 6.853 -1.957 1.00 . A A . 14 ASP C 1 1 5 1972 1 1 14 ASP CA C 2.704 6.378 -1.983 1.00 . A A . 14 ASP CA 1 1 5 1973 1 1 14 ASP CB C 3.124 6.052 -3.426 1.00 . A A . 14 ASP CB 1 1 5 1974 1 1 14 ASP CG C 2.566 4.669 -3.840 1.00 . A A . 14 ASP CG 1 1 5 1975 1 1 14 ASP H H 2.785 4.275 -1.604 1.00 . A A . 14 ASP H 1 1 5 1976 1 1 14 ASP HA H 3.334 7.162 -1.590 1.00 . A A . 14 ASP HA 1 1 5 1977 1 1 14 ASP HB2 H 2.729 6.794 -4.097 1.00 . A A . 14 ASP HB2 1 1 5 1978 1 1 14 ASP HB3 H 4.203 6.050 -3.508 1.00 . A A . 14 ASP HB3 1 1 5 1979 1 1 14 ASP N N 2.878 5.143 -1.161 1.00 . A A . 14 ASP N 1 1 5 1980 1 1 14 ASP O O 0.917 7.877 -2.522 1.00 . A A . 14 ASP O 1 1 5 1981 1 1 14 ASP OD1 O 1.350 4.559 -3.880 1.00 . A A . 14 ASP OD1 1 1 5 1982 1 1 14 ASP OD2 O 3.382 3.797 -4.092 1.00 . A A . 14 ASP OD2 1 1 5 1983 1 1 15 CYS C C -1.303 7.746 -0.504 1.00 . A A . 15 CYS C 1 1 5 1984 1 1 15 CYS CA C -1.029 6.413 -1.184 1.00 . A A . 15 CYS CA 1 1 5 1985 1 1 15 CYS CB C -1.690 5.279 -0.420 1.00 . A A . 15 CYS CB 1 1 5 1986 1 1 15 CYS H H 0.749 5.276 -0.857 1.00 . A A . 15 CYS H 1 1 5 1987 1 1 15 CYS HA H -1.453 6.447 -2.171 1.00 . A A . 15 CYS HA 1 1 5 1988 1 1 15 CYS HB2 H -1.522 5.424 0.635 1.00 . A A . 15 CYS HB2 1 1 5 1989 1 1 15 CYS HB3 H -2.755 5.301 -0.599 1.00 . A A . 15 CYS HB3 1 1 5 1990 1 1 15 CYS N N 0.418 6.086 -1.295 1.00 . A A . 15 CYS N 1 1 5 1991 1 1 15 CYS O O -0.495 8.263 0.245 1.00 . A A . 15 CYS O 1 1 5 1992 1 1 15 CYS SG S -1.081 3.629 -0.826 1.00 . A A . 15 CYS SG 1 1 5 1993 1 1 16 CYS C C -3.132 9.322 1.249 1.00 . A A . 16 CYS C 1 1 5 1994 1 1 16 CYS CA C -2.937 9.545 -0.258 1.00 . A A . 16 CYS CA 1 1 5 1995 1 1 16 CYS CB C -4.254 9.910 -0.966 1.00 . A A . 16 CYS CB 1 1 5 1996 1 1 16 CYS H H -3.045 7.755 -1.429 1.00 . A A . 16 CYS H 1 1 5 1997 1 1 16 CYS HA H -2.176 10.294 -0.409 1.00 . A A . 16 CYS HA 1 1 5 1998 1 1 16 CYS HB2 H -4.255 9.457 -1.947 1.00 . A A . 16 CYS HB2 1 1 5 1999 1 1 16 CYS HB3 H -5.083 9.488 -0.418 1.00 . A A . 16 CYS HB3 1 1 5 2000 1 1 16 CYS N N -2.468 8.248 -0.814 1.00 . A A . 16 CYS N 1 1 5 2001 1 1 16 CYS O O -2.891 10.195 2.060 1.00 . A A . 16 CYS O 1 1 5 2002 1 1 16 CYS SG S -4.591 11.671 -1.196 1.00 . A A . 16 CYS SG 1 1 5 2003 1 1 17 SER C C -2.504 7.148 3.540 1.00 . A A . 17 SER C 1 1 5 2004 1 1 17 SER CA C -3.824 7.683 2.942 1.00 . A A . 17 SER CA 1 1 5 2005 1 1 17 SER CB C -4.893 6.594 2.886 1.00 . A A . 17 SER CB 1 1 5 2006 1 1 17 SER H H -3.747 7.477 0.835 1.00 . A A . 17 SER H 1 1 5 2007 1 1 17 SER HA H -4.169 8.521 3.530 1.00 . A A . 17 SER HA 1 1 5 2008 1 1 17 SER HB2 H -5.176 6.277 3.870 1.00 . A A . 17 SER HB2 1 1 5 2009 1 1 17 SER HB3 H -5.767 6.924 2.343 1.00 . A A . 17 SER HB3 1 1 5 2010 1 1 17 SER HG H -3.597 5.144 2.750 1.00 . A A . 17 SER HG 1 1 5 2011 1 1 17 SER N N -3.571 8.124 1.546 1.00 . A A . 17 SER N 1 1 5 2012 1 1 17 SER O O -2.414 6.907 4.727 1.00 . A A . 17 SER O 1 1 5 2013 1 1 17 SER OG O -4.283 5.514 2.190 1.00 . A A . 17 SER OG 1 1 5 2014 1 1 18 ARG C C -0.284 5.070 3.688 1.00 . A A . 18 ARG C 1 1 5 2015 1 1 18 ARG CA C -0.173 6.473 3.059 1.00 . A A . 18 ARG CA 1 1 5 2016 1 1 18 ARG CB C 0.474 7.493 4.061 1.00 . A A . 18 ARG CB 1 1 5 2017 1 1 18 ARG CD C 1.479 9.498 2.877 1.00 . A A . 18 ARG CD 1 1 5 2018 1 1 18 ARG CG C 1.768 8.101 3.453 1.00 . A A . 18 ARG CG 1 1 5 2019 1 1 18 ARG CZ C 2.229 11.156 4.479 1.00 . A A . 18 ARG CZ 1 1 5 2020 1 1 18 ARG H H -1.691 7.204 1.735 1.00 . A A . 18 ARG H 1 1 5 2021 1 1 18 ARG HA H 0.414 6.388 2.157 1.00 . A A . 18 ARG HA 1 1 5 2022 1 1 18 ARG HB2 H -0.226 8.286 4.282 1.00 . A A . 18 ARG HB2 1 1 5 2023 1 1 18 ARG HB3 H 0.721 7.009 4.994 1.00 . A A . 18 ARG HB3 1 1 5 2024 1 1 18 ARG HD2 H 2.319 9.844 2.291 1.00 . A A . 18 ARG HD2 1 1 5 2025 1 1 18 ARG HD3 H 0.598 9.481 2.252 1.00 . A A . 18 ARG HD3 1 1 5 2026 1 1 18 ARG HE H 0.351 10.519 4.406 1.00 . A A . 18 ARG HE 1 1 5 2027 1 1 18 ARG HG2 H 2.524 8.175 4.222 1.00 . A A . 18 ARG HG2 1 1 5 2028 1 1 18 ARG HG3 H 2.157 7.476 2.664 1.00 . A A . 18 ARG HG3 1 1 5 2029 1 1 18 ARG HH11 H 1.924 12.639 3.172 1.00 . A A . 18 ARG HH11 1 1 5 2030 1 1 18 ARG HH12 H 3.234 12.877 4.281 1.00 . A A . 18 ARG HH12 1 1 5 2031 1 1 18 ARG HH21 H 2.706 9.796 5.866 1.00 . A A . 18 ARG HH21 1 1 5 2032 1 1 18 ARG HH22 H 3.689 11.224 5.847 1.00 . A A . 18 ARG HH22 1 1 5 2033 1 1 18 ARG N N -1.528 6.984 2.675 1.00 . A A . 18 ARG N 1 1 5 2034 1 1 18 ARG NE N 1.244 10.440 4.011 1.00 . A A . 18 ARG NE 1 1 5 2035 1 1 18 ARG NH1 N 2.482 12.315 3.934 1.00 . A A . 18 ARG NH1 1 1 5 2036 1 1 18 ARG NH2 N 2.930 10.690 5.475 1.00 . A A . 18 ARG NH2 1 1 5 2037 1 1 18 ARG O O 0.570 4.649 4.446 1.00 . A A . 18 ARG O 1 1 5 2038 1 1 19 LYS C C -1.763 2.032 2.674 1.00 . A A . 19 LYS C 1 1 5 2039 1 1 19 LYS CA C -1.620 3.018 3.843 1.00 . A A . 19 LYS CA 1 1 5 2040 1 1 19 LYS CB C -2.911 3.074 4.659 1.00 . A A . 19 LYS CB 1 1 5 2041 1 1 19 LYS CD C -3.923 3.718 6.895 1.00 . A A . 19 LYS CD 1 1 5 2042 1 1 19 LYS CE C -4.537 5.099 6.602 1.00 . A A . 19 LYS CE 1 1 5 2043 1 1 19 LYS CG C -2.605 3.543 6.101 1.00 . A A . 19 LYS CG 1 1 5 2044 1 1 19 LYS H H -2.004 4.778 2.721 1.00 . A A . 19 LYS H 1 1 5 2045 1 1 19 LYS HA H -0.799 2.692 4.466 1.00 . A A . 19 LYS HA 1 1 5 2046 1 1 19 LYS HB2 H -3.604 3.758 4.191 1.00 . A A . 19 LYS HB2 1 1 5 2047 1 1 19 LYS HB3 H -3.358 2.098 4.665 1.00 . A A . 19 LYS HB3 1 1 5 2048 1 1 19 LYS HD2 H -4.627 2.943 6.625 1.00 . A A . 19 LYS HD2 1 1 5 2049 1 1 19 LYS HD3 H -3.717 3.637 7.952 1.00 . A A . 19 LYS HD3 1 1 5 2050 1 1 19 LYS HE2 H -3.858 5.888 6.886 1.00 . A A . 19 LYS HE2 1 1 5 2051 1 1 19 LYS HE3 H -4.761 5.186 5.551 1.00 . A A . 19 LYS HE3 1 1 5 2052 1 1 19 LYS HG2 H -1.991 2.806 6.597 1.00 . A A . 19 LYS HG2 1 1 5 2053 1 1 19 LYS HG3 H -2.061 4.477 6.077 1.00 . A A . 19 LYS HG3 1 1 5 2054 1 1 19 LYS HZ1 H -5.845 4.570 8.136 1.00 . A A . 19 LYS HZ1 1 1 5 2055 1 1 19 LYS HZ2 H -5.845 6.227 7.766 1.00 . A A . 19 LYS HZ2 1 1 5 2056 1 1 19 LYS HZ3 H -6.615 5.126 6.728 1.00 . A A . 19 LYS HZ3 1 1 5 2057 1 1 19 LYS N N -1.348 4.390 3.335 1.00 . A A . 19 LYS N 1 1 5 2058 1 1 19 LYS NZ N -5.806 5.267 7.366 1.00 . A A . 19 LYS NZ 1 1 5 2059 1 1 19 LYS O O -2.583 2.233 1.799 1.00 . A A . 19 LYS O 1 1 5 2060 1 1 20 CYS C C -1.290 -1.372 2.369 1.00 . A A . 20 CYS C 1 1 5 2061 1 1 20 CYS CA C -0.954 -0.049 1.658 1.00 . A A . 20 CYS CA 1 1 5 2062 1 1 20 CYS CB C 0.435 -0.053 1.032 1.00 . A A . 20 CYS CB 1 1 5 2063 1 1 20 CYS H H -0.301 0.899 3.425 1.00 . A A . 20 CYS H 1 1 5 2064 1 1 20 CYS HA H -1.710 0.175 0.922 1.00 . A A . 20 CYS HA 1 1 5 2065 1 1 20 CYS HB2 H 1.172 -0.172 1.812 1.00 . A A . 20 CYS HB2 1 1 5 2066 1 1 20 CYS HB3 H 0.508 -0.904 0.388 1.00 . A A . 20 CYS HB3 1 1 5 2067 1 1 20 CYS N N -0.950 1.004 2.703 1.00 . A A . 20 CYS N 1 1 5 2068 1 1 20 CYS O O -0.537 -1.833 3.205 1.00 . A A . 20 CYS O 1 1 5 2069 1 1 20 CYS SG S 0.858 1.446 0.110 1.00 . A A . 20 CYS SG 1 1 5 2070 1 1 21 ASN C C -1.976 -4.430 2.283 1.00 . A A . 21 ASN C 1 1 5 2071 1 1 21 ASN CA C -2.874 -3.229 2.624 1.00 . A A . 21 ASN CA 1 1 5 2072 1 1 21 ASN CB C -4.334 -3.512 2.154 1.00 . A A . 21 ASN CB 1 1 5 2073 1 1 21 ASN CG C -4.494 -3.284 0.643 1.00 . A A . 21 ASN CG 1 1 5 2074 1 1 21 ASN H H -2.967 -1.516 1.319 1.00 . A A . 21 ASN H 1 1 5 2075 1 1 21 ASN HA H -2.875 -3.108 3.697 1.00 . A A . 21 ASN HA 1 1 5 2076 1 1 21 ASN HB2 H -4.614 -4.531 2.375 1.00 . A A . 21 ASN HB2 1 1 5 2077 1 1 21 ASN HB3 H -5.015 -2.856 2.676 1.00 . A A . 21 ASN HB3 1 1 5 2078 1 1 21 ASN HD21 H -2.745 -4.096 0.211 1.00 . A A . 21 ASN HD21 1 1 5 2079 1 1 21 ASN HD22 H -3.629 -3.537 -1.121 1.00 . A A . 21 ASN HD22 1 1 5 2080 1 1 21 ASN N N -2.414 -1.940 2.009 1.00 . A A . 21 ASN N 1 1 5 2081 1 1 21 ASN ND2 N -3.544 -3.671 -0.157 1.00 . A A . 21 ASN ND2 1 1 5 2082 1 1 21 ASN O O -1.011 -4.310 1.552 1.00 . A A . 21 ASN O 1 1 5 2083 1 1 21 ASN OD1 O -5.481 -2.750 0.177 1.00 . A A . 21 ASN OD1 1 1 5 2084 1 1 22 ARG C C -1.539 -7.271 1.173 1.00 . A A . 22 ARG C 1 1 5 2085 1 1 22 ARG CA C -1.621 -6.834 2.646 1.00 . A A . 22 ARG CA 1 1 5 2086 1 1 22 ARG CB C -2.331 -7.916 3.484 1.00 . A A . 22 ARG CB 1 1 5 2087 1 1 22 ARG CD C -4.355 -9.433 3.480 1.00 . A A . 22 ARG CD 1 1 5 2088 1 1 22 ARG CG C -3.818 -8.058 3.055 1.00 . A A . 22 ARG CG 1 1 5 2089 1 1 22 ARG CZ C -4.408 -10.670 5.559 1.00 . A A . 22 ARG CZ 1 1 5 2090 1 1 22 ARG H H -3.133 -5.573 3.423 1.00 . A A . 22 ARG H 1 1 5 2091 1 1 22 ARG HA H -0.625 -6.692 3.026 1.00 . A A . 22 ARG HA 1 1 5 2092 1 1 22 ARG HB2 H -1.817 -8.854 3.355 1.00 . A A . 22 ARG HB2 1 1 5 2093 1 1 22 ARG HB3 H -2.284 -7.644 4.529 1.00 . A A . 22 ARG HB3 1 1 5 2094 1 1 22 ARG HD2 H -5.371 -9.561 3.135 1.00 . A A . 22 ARG HD2 1 1 5 2095 1 1 22 ARG HD3 H -3.739 -10.223 3.075 1.00 . A A . 22 ARG HD3 1 1 5 2096 1 1 22 ARG HE H -4.283 -8.687 5.505 1.00 . A A . 22 ARG HE 1 1 5 2097 1 1 22 ARG HG2 H -4.409 -7.281 3.518 1.00 . A A . 22 ARG HG2 1 1 5 2098 1 1 22 ARG HG3 H -3.911 -7.968 1.985 1.00 . A A . 22 ARG HG3 1 1 5 2099 1 1 22 ARG HH11 H -6.399 -10.770 5.385 1.00 . A A . 22 ARG HH11 1 1 5 2100 1 1 22 ARG HH12 H -5.646 -12.123 6.164 1.00 . A A . 22 ARG HH12 1 1 5 2101 1 1 22 ARG HH21 H -2.428 -10.769 5.831 1.00 . A A . 22 ARG HH21 1 1 5 2102 1 1 22 ARG HH22 H -3.336 -12.122 6.423 1.00 . A A . 22 ARG HH22 1 1 5 2103 1 1 22 ARG N N -2.349 -5.554 2.845 1.00 . A A . 22 ARG N 1 1 5 2104 1 1 22 ARG NE N -4.342 -9.507 4.970 1.00 . A A . 22 ARG NE 1 1 5 2105 1 1 22 ARG NH1 N -5.575 -11.232 5.715 1.00 . A A . 22 ARG NH1 1 1 5 2106 1 1 22 ARG NH2 N -3.305 -11.231 5.970 1.00 . A A . 22 ARG NH2 1 1 5 2107 1 1 22 ARG O O -0.732 -8.111 0.825 1.00 . A A . 22 ARG O 1 1 5 2108 1 1 23 PHE C C -1.410 -6.106 -1.845 1.00 . A A . 23 PHE C 1 1 5 2109 1 1 23 PHE CA C -2.399 -7.014 -1.100 1.00 . A A . 23 PHE CA 1 1 5 2110 1 1 23 PHE CB C -3.826 -6.794 -1.603 1.00 . A A . 23 PHE CB 1 1 5 2111 1 1 23 PHE CD1 C -4.826 -9.067 -1.076 1.00 . A A . 23 PHE CD1 1 1 5 2112 1 1 23 PHE CD2 C -5.668 -7.171 0.104 1.00 . A A . 23 PHE CD2 1 1 5 2113 1 1 23 PHE CE1 C -5.699 -9.884 -0.389 1.00 . A A . 23 PHE CE1 1 1 5 2114 1 1 23 PHE CE2 C -6.541 -7.989 0.791 1.00 . A A . 23 PHE CE2 1 1 5 2115 1 1 23 PHE CG C -4.802 -7.704 -0.836 1.00 . A A . 23 PHE CG 1 1 5 2116 1 1 23 PHE CZ C -6.558 -9.346 0.545 1.00 . A A . 23 PHE CZ 1 1 5 2117 1 1 23 PHE H H -3.008 -6.009 0.671 1.00 . A A . 23 PHE H 1 1 5 2118 1 1 23 PHE HA H -2.105 -8.045 -1.244 1.00 . A A . 23 PHE HA 1 1 5 2119 1 1 23 PHE HB2 H -4.121 -5.763 -1.468 1.00 . A A . 23 PHE HB2 1 1 5 2120 1 1 23 PHE HB3 H -3.878 -7.030 -2.648 1.00 . A A . 23 PHE HB3 1 1 5 2121 1 1 23 PHE HD1 H -4.157 -9.497 -1.807 1.00 . A A . 23 PHE HD1 1 1 5 2122 1 1 23 PHE HD2 H -5.662 -6.110 0.303 1.00 . A A . 23 PHE HD2 1 1 5 2123 1 1 23 PHE HE1 H -5.711 -10.946 -0.584 1.00 . A A . 23 PHE HE1 1 1 5 2124 1 1 23 PHE HE2 H -7.214 -7.566 1.522 1.00 . A A . 23 PHE HE2 1 1 5 2125 1 1 23 PHE HZ H -7.242 -9.986 1.083 1.00 . A A . 23 PHE HZ 1 1 5 2126 1 1 23 PHE N N -2.375 -6.683 0.351 1.00 . A A . 23 PHE N 1 1 5 2127 1 1 23 PHE O O -1.437 -6.018 -3.058 1.00 . A A . 23 PHE O 1 1 5 2128 1 1 24 ASN C C -0.154 -3.531 -2.581 1.00 . A A . 24 ASN C 1 1 5 2129 1 1 24 ASN CA C 0.471 -4.528 -1.603 1.00 . A A . 24 ASN CA 1 1 5 2130 1 1 24 ASN CB C 1.576 -5.371 -2.281 1.00 . A A . 24 ASN CB 1 1 5 2131 1 1 24 ASN CG C 2.258 -6.215 -1.197 1.00 . A A . 24 ASN CG 1 1 5 2132 1 1 24 ASN H H -0.617 -5.594 -0.104 1.00 . A A . 24 ASN H 1 1 5 2133 1 1 24 ASN HA H 0.880 -3.971 -0.775 1.00 . A A . 24 ASN HA 1 1 5 2134 1 1 24 ASN HB2 H 1.163 -6.027 -3.033 1.00 . A A . 24 ASN HB2 1 1 5 2135 1 1 24 ASN HB3 H 2.315 -4.729 -2.738 1.00 . A A . 24 ASN HB3 1 1 5 2136 1 1 24 ASN HD21 H 0.936 -7.690 -1.344 1.00 . A A . 24 ASN HD21 1 1 5 2137 1 1 24 ASN HD22 H 2.166 -7.930 -0.200 1.00 . A A . 24 ASN HD22 1 1 5 2138 1 1 24 ASN N N -0.567 -5.462 -1.071 1.00 . A A . 24 ASN N 1 1 5 2139 1 1 24 ASN ND2 N 1.744 -7.375 -0.888 1.00 . A A . 24 ASN ND2 1 1 5 2140 1 1 24 ASN O O 0.408 -3.194 -3.604 1.00 . A A . 24 ASN O 1 1 5 2141 1 1 24 ASN OD1 O 3.257 -5.829 -0.625 1.00 . A A . 24 ASN OD1 1 1 5 2142 1 1 25 LYS C C -2.534 -1.049 -1.955 1.00 . A A . 25 LYS C 1 1 5 2143 1 1 25 LYS CA C -2.142 -2.133 -2.960 1.00 . A A . 25 LYS CA 1 1 5 2144 1 1 25 LYS CB C -3.368 -2.863 -3.515 1.00 . A A . 25 LYS CB 1 1 5 2145 1 1 25 LYS CD C -4.293 -4.130 -5.479 1.00 . A A . 25 LYS CD 1 1 5 2146 1 1 25 LYS CE C -4.119 -4.330 -6.993 1.00 . A A . 25 LYS CE 1 1 5 2147 1 1 25 LYS CG C -3.040 -3.432 -4.907 1.00 . A A . 25 LYS CG 1 1 5 2148 1 1 25 LYS H H -1.706 -3.447 -1.350 1.00 . A A . 25 LYS H 1 1 5 2149 1 1 25 LYS HA H -1.548 -1.685 -3.740 1.00 . A A . 25 LYS HA 1 1 5 2150 1 1 25 LYS HB2 H -3.644 -3.682 -2.867 1.00 . A A . 25 LYS HB2 1 1 5 2151 1 1 25 LYS HB3 H -4.196 -2.180 -3.560 1.00 . A A . 25 LYS HB3 1 1 5 2152 1 1 25 LYS HD2 H -4.426 -5.088 -4.998 1.00 . A A . 25 LYS HD2 1 1 5 2153 1 1 25 LYS HD3 H -5.173 -3.528 -5.299 1.00 . A A . 25 LYS HD3 1 1 5 2154 1 1 25 LYS HE2 H -4.002 -3.377 -7.488 1.00 . A A . 25 LYS HE2 1 1 5 2155 1 1 25 LYS HE3 H -3.255 -4.942 -7.197 1.00 . A A . 25 LYS HE3 1 1 5 2156 1 1 25 LYS HG2 H -2.725 -2.634 -5.564 1.00 . A A . 25 LYS HG2 1 1 5 2157 1 1 25 LYS HG3 H -2.236 -4.148 -4.824 1.00 . A A . 25 LYS HG3 1 1 5 2158 1 1 25 LYS HZ1 H -6.176 -4.493 -7.258 1.00 . A A . 25 LYS HZ1 1 1 5 2159 1 1 25 LYS HZ2 H -5.262 -5.017 -8.591 1.00 . A A . 25 LYS HZ2 1 1 5 2160 1 1 25 LYS HZ3 H -5.366 -5.984 -7.198 1.00 . A A . 25 LYS HZ3 1 1 5 2161 1 1 25 LYS N N -1.328 -3.110 -2.190 1.00 . A A . 25 LYS N 1 1 5 2162 1 1 25 LYS NZ N -5.321 -5.007 -7.552 1.00 . A A . 25 LYS NZ 1 1 5 2163 1 1 25 LYS O O -2.461 -1.276 -0.763 1.00 . A A . 25 LYS O 1 1 5 2164 1 1 26 CYS C C -4.653 0.901 -0.784 1.00 . A A . 26 CYS C 1 1 5 2165 1 1 26 CYS CA C -3.329 1.181 -1.488 1.00 . A A . 26 CYS CA 1 1 5 2166 1 1 26 CYS CB C -3.410 2.488 -2.264 1.00 . A A . 26 CYS CB 1 1 5 2167 1 1 26 CYS H H -3.005 0.256 -3.397 1.00 . A A . 26 CYS H 1 1 5 2168 1 1 26 CYS HA H -2.557 1.276 -0.739 1.00 . A A . 26 CYS HA 1 1 5 2169 1 1 26 CYS HB2 H -3.950 2.318 -3.176 1.00 . A A . 26 CYS HB2 1 1 5 2170 1 1 26 CYS HB3 H -3.964 3.203 -1.682 1.00 . A A . 26 CYS HB3 1 1 5 2171 1 1 26 CYS N N -2.944 0.098 -2.433 1.00 . A A . 26 CYS N 1 1 5 2172 1 1 26 CYS O O -5.355 -0.042 -1.092 1.00 . A A . 26 CYS O 1 1 5 2173 1 1 26 CYS SG S -1.829 3.263 -2.667 1.00 . A A . 26 CYS SG 1 1 5 2174 1 1 27 VAL C C -6.898 3.038 0.970 1.00 . A A . 27 VAL C 1 1 5 2175 1 1 27 VAL CA C -6.175 1.671 0.975 1.00 . A A . 27 VAL CA 1 1 5 2176 1 1 27 VAL CB C -5.760 1.249 2.409 1.00 . A A . 27 VAL CB 1 1 5 2177 1 1 27 VAL CG1 C -7.014 0.922 3.245 1.00 . A A . 27 VAL CG1 1 1 5 2178 1 1 27 VAL CG2 C -4.872 -0.022 2.347 1.00 . A A . 27 VAL CG2 1 1 5 2179 1 1 27 VAL H H -4.295 2.486 0.333 1.00 . A A . 27 VAL H 1 1 5 2180 1 1 27 VAL HA H -6.833 0.929 0.543 1.00 . A A . 27 VAL HA 1 1 5 2181 1 1 27 VAL HB H -5.203 2.054 2.866 1.00 . A A . 27 VAL HB 1 1 5 2182 1 1 27 VAL HG11 H -7.657 0.244 2.703 1.00 . A A . 27 VAL HG11 1 1 5 2183 1 1 27 VAL HG12 H -6.727 0.457 4.177 1.00 . A A . 27 VAL HG12 1 1 5 2184 1 1 27 VAL HG13 H -7.563 1.824 3.466 1.00 . A A . 27 VAL HG13 1 1 5 2185 1 1 27 VAL HG21 H -5.390 -0.807 1.817 1.00 . A A . 27 VAL HG21 1 1 5 2186 1 1 27 VAL HG22 H -3.945 0.180 1.833 1.00 . A A . 27 VAL HG22 1 1 5 2187 1 1 27 VAL HG23 H -4.637 -0.372 3.342 1.00 . A A . 27 VAL HG23 1 1 5 2188 1 1 27 VAL N N -4.929 1.761 0.158 1.00 . A A . 27 VAL N 1 1 5 2189 1 1 27 VAL O O -6.208 4.033 0.814 1.00 . A A . 27 VAL O 1 1 5 2190 1 1 27 VAL OXT O -8.108 3.013 1.122 1.00 . A A . 27 VAL OXT 1 1 6 2191 1 1 1 CYS C C -1.635 10.300 -4.319 1.00 . A A . 1 CYS C 1 1 6 2192 1 1 1 CYS CA C -0.978 11.352 -3.402 1.00 . A A . 1 CYS CA 1 1 6 2193 1 1 1 CYS CB C -2.019 12.121 -2.531 1.00 . A A . 1 CYS CB 1 1 6 2194 1 1 1 CYS H1 H -1.040 12.716 -4.974 1.00 . A A . 1 CYS H1 1 1 6 2195 1 1 1 CYS H2 H 0.100 13.093 -3.772 1.00 . A A . 1 CYS H2 1 1 6 2196 1 1 1 CYS H3 H 0.409 11.837 -4.874 1.00 . A A . 1 CYS H3 1 1 6 2197 1 1 1 CYS HA H -0.220 10.883 -2.790 1.00 . A A . 1 CYS HA 1 1 6 2198 1 1 1 CYS HB2 H -1.890 11.802 -1.511 1.00 . A A . 1 CYS HB2 1 1 6 2199 1 1 1 CYS HB3 H -1.753 13.168 -2.556 1.00 . A A . 1 CYS HB3 1 1 6 2200 1 1 1 CYS N N -0.328 12.323 -4.325 1.00 . A A . 1 CYS N 1 1 6 2201 1 1 1 CYS O O -2.543 10.612 -5.065 1.00 . A A . 1 CYS O 1 1 6 2202 1 1 1 CYS SG S -3.790 12.043 -2.907 1.00 . A A . 1 CYS SG 1 1 6 2203 1 1 2 ARG C C -3.078 7.507 -4.591 1.00 . A A . 2 ARG C 1 1 6 2204 1 1 2 ARG CA C -1.710 7.979 -5.091 1.00 . A A . 2 ARG CA 1 1 6 2205 1 1 2 ARG CB C -0.709 6.791 -5.098 1.00 . A A . 2 ARG CB 1 1 6 2206 1 1 2 ARG CD C 0.305 5.149 -6.769 1.00 . A A . 2 ARG CD 1 1 6 2207 1 1 2 ARG CG C -0.977 5.901 -6.342 1.00 . A A . 2 ARG CG 1 1 6 2208 1 1 2 ARG CZ C 1.127 2.876 -6.570 1.00 . A A . 2 ARG CZ 1 1 6 2209 1 1 2 ARG H H -0.426 8.889 -3.614 1.00 . A A . 2 ARG H 1 1 6 2210 1 1 2 ARG HA H -1.824 8.360 -6.097 1.00 . A A . 2 ARG HA 1 1 6 2211 1 1 2 ARG HB2 H 0.301 7.174 -5.119 1.00 . A A . 2 ARG HB2 1 1 6 2212 1 1 2 ARG HB3 H -0.825 6.194 -4.205 1.00 . A A . 2 ARG HB3 1 1 6 2213 1 1 2 ARG HD2 H 0.322 5.039 -7.844 1.00 . A A . 2 ARG HD2 1 1 6 2214 1 1 2 ARG HD3 H 1.198 5.670 -6.458 1.00 . A A . 2 ARG HD3 1 1 6 2215 1 1 2 ARG HE H -0.335 3.585 -5.426 1.00 . A A . 2 ARG HE 1 1 6 2216 1 1 2 ARG HG2 H -1.758 5.191 -6.111 1.00 . A A . 2 ARG HG2 1 1 6 2217 1 1 2 ARG HG3 H -1.310 6.509 -7.170 1.00 . A A . 2 ARG HG3 1 1 6 2218 1 1 2 ARG HH11 H 0.180 2.640 -8.317 1.00 . A A . 2 ARG HH11 1 1 6 2219 1 1 2 ARG HH12 H 1.575 1.642 -8.080 1.00 . A A . 2 ARG HH12 1 1 6 2220 1 1 2 ARG HH21 H 2.229 2.940 -4.903 1.00 . A A . 2 ARG HH21 1 1 6 2221 1 1 2 ARG HH22 H 2.765 1.825 -6.111 1.00 . A A . 2 ARG HH22 1 1 6 2222 1 1 2 ARG N N -1.153 9.081 -4.239 1.00 . A A . 2 ARG N 1 1 6 2223 1 1 2 ARG NE N 0.293 3.790 -6.147 1.00 . A A . 2 ARG NE 1 1 6 2224 1 1 2 ARG NH1 N 0.946 2.346 -7.748 1.00 . A A . 2 ARG NH1 1 1 6 2225 1 1 2 ARG NH2 N 2.117 2.520 -5.802 1.00 . A A . 2 ARG NH2 1 1 6 2226 1 1 2 ARG O O -3.358 7.545 -3.410 1.00 . A A . 2 ARG O 1 1 6 2227 1 1 3 ILE C C -5.212 5.254 -4.381 1.00 . A A . 3 ILE C 1 1 6 2228 1 1 3 ILE CA C -5.259 6.580 -5.178 1.00 . A A . 3 ILE CA 1 1 6 2229 1 1 3 ILE CB C -6.033 6.403 -6.511 1.00 . A A . 3 ILE CB 1 1 6 2230 1 1 3 ILE CD1 C -6.118 5.136 -8.725 1.00 . A A . 3 ILE CD1 1 1 6 2231 1 1 3 ILE CG1 C -5.369 5.298 -7.388 1.00 . A A . 3 ILE CG1 1 1 6 2232 1 1 3 ILE CG2 C -6.055 7.758 -7.270 1.00 . A A . 3 ILE CG2 1 1 6 2233 1 1 3 ILE H H -3.619 7.058 -6.456 1.00 . A A . 3 ILE H 1 1 6 2234 1 1 3 ILE HA H -5.740 7.340 -4.580 1.00 . A A . 3 ILE HA 1 1 6 2235 1 1 3 ILE HB H -7.044 6.112 -6.287 1.00 . A A . 3 ILE HB 1 1 6 2236 1 1 3 ILE HD11 H -7.158 5.408 -8.621 1.00 . A A . 3 ILE HD11 1 1 6 2237 1 1 3 ILE HD12 H -5.664 5.765 -9.477 1.00 . A A . 3 ILE HD12 1 1 6 2238 1 1 3 ILE HD13 H -6.064 4.109 -9.053 1.00 . A A . 3 ILE HD13 1 1 6 2239 1 1 3 ILE HG12 H -4.332 5.537 -7.574 1.00 . A A . 3 ILE HG12 1 1 6 2240 1 1 3 ILE HG13 H -5.409 4.355 -6.866 1.00 . A A . 3 ILE HG13 1 1 6 2241 1 1 3 ILE HG21 H -6.237 8.571 -6.583 1.00 . A A . 3 ILE HG21 1 1 6 2242 1 1 3 ILE HG22 H -5.111 7.929 -7.765 1.00 . A A . 3 ILE HG22 1 1 6 2243 1 1 3 ILE HG23 H -6.840 7.756 -8.012 1.00 . A A . 3 ILE HG23 1 1 6 2244 1 1 3 ILE N N -3.893 7.071 -5.517 1.00 . A A . 3 ILE N 1 1 6 2245 1 1 3 ILE O O -4.224 4.548 -4.448 1.00 . A A . 3 ILE O 1 1 6 2246 1 1 4 HYP C C -6.408 2.475 -4.134 1.00 . A A . 4 HYP C 1 1 6 2247 1 1 4 HYP CA C -6.493 3.594 -3.081 1.00 . A A . 4 HYP CA 1 1 6 2248 1 1 4 HYP CB C -7.878 3.638 -2.420 1.00 . A A . 4 HYP CB 1 1 6 2249 1 1 4 HYP CD C -7.344 5.922 -3.303 1.00 . A A . 4 HYP CD 1 1 6 2250 1 1 4 HYP CG C -8.304 5.131 -2.390 1.00 . A A . 4 HYP CG 1 1 6 2251 1 1 4 HYP HA H -5.752 3.413 -2.320 1.00 . A A . 4 HYP HA 1 1 6 2252 1 1 4 HYP HB2 H -7.838 3.213 -1.430 1.00 . A A . 4 HYP HB2 1 1 6 2253 1 1 4 HYP HB3 H -8.594 3.076 -3.003 1.00 . A A . 4 HYP HB3 1 1 6 2254 1 1 4 HYP HD1 H -7.748 6.488 -1.100 1.00 . A A . 4 HYP HD1 1 1 6 2255 1 1 4 HYP HD22 H -6.910 6.775 -2.799 1.00 . A A . 4 HYP HD22 1 1 6 2256 1 1 4 HYP HD23 H -7.848 6.243 -4.202 1.00 . A A . 4 HYP HD23 1 1 6 2257 1 1 4 HYP HG H -9.346 5.286 -2.628 1.00 . A A . 4 HYP HG 1 1 6 2258 1 1 4 HYP N N -6.267 4.953 -3.651 1.00 . A A . 4 HYP N 1 1 6 2259 1 1 4 HYP O O -6.357 2.738 -5.320 1.00 . A A . 4 HYP O 1 1 6 2260 1 1 4 HYP OD1 O -8.024 5.569 -1.067 1.00 . A A . 4 HYP OD1 1 1 6 2261 1 1 5 ASN C C -5.260 0.062 -5.610 1.00 . A A . 5 ASN C 1 1 6 2262 1 1 5 ASN CA C -6.318 0.022 -4.488 1.00 . A A . 5 ASN CA 1 1 6 2263 1 1 5 ASN CB C -7.749 -0.239 -5.082 1.00 . A A . 5 ASN CB 1 1 6 2264 1 1 5 ASN CG C -8.130 0.769 -6.180 1.00 . A A . 5 ASN CG 1 1 6 2265 1 1 5 ASN H H -6.425 1.155 -2.668 1.00 . A A . 5 ASN H 1 1 6 2266 1 1 5 ASN HA H -6.070 -0.801 -3.834 1.00 . A A . 5 ASN HA 1 1 6 2267 1 1 5 ASN HB2 H -7.795 -1.234 -5.501 1.00 . A A . 5 ASN HB2 1 1 6 2268 1 1 5 ASN HB3 H -8.483 -0.175 -4.290 1.00 . A A . 5 ASN HB3 1 1 6 2269 1 1 5 ASN HD21 H -9.241 1.877 -4.963 1.00 . A A . 5 ASN HD21 1 1 6 2270 1 1 5 ASN HD22 H -9.155 2.422 -6.569 1.00 . A A . 5 ASN HD22 1 1 6 2271 1 1 5 ASN N N -6.392 1.260 -3.641 1.00 . A A . 5 ASN N 1 1 6 2272 1 1 5 ASN ND2 N -8.907 1.773 -5.878 1.00 . A A . 5 ASN ND2 1 1 6 2273 1 1 5 ASN O O -5.394 -0.606 -6.618 1.00 . A A . 5 ASN O 1 1 6 2274 1 1 5 ASN OD1 O -7.725 0.654 -7.320 1.00 . A A . 5 ASN OD1 1 1 6 2275 1 1 6 GLN C C -1.925 0.216 -5.835 1.00 . A A . 6 GLN C 1 1 6 2276 1 1 6 GLN CA C -3.130 0.988 -6.383 1.00 . A A . 6 GLN CA 1 1 6 2277 1 1 6 GLN CB C -2.805 2.480 -6.539 1.00 . A A . 6 GLN CB 1 1 6 2278 1 1 6 GLN CD C -3.356 2.999 -8.938 1.00 . A A . 6 GLN CD 1 1 6 2279 1 1 6 GLN CG C -2.228 2.715 -7.939 1.00 . A A . 6 GLN CG 1 1 6 2280 1 1 6 GLN H H -4.184 1.366 -4.569 1.00 . A A . 6 GLN H 1 1 6 2281 1 1 6 GLN HA H -3.431 0.555 -7.327 1.00 . A A . 6 GLN HA 1 1 6 2282 1 1 6 GLN HB2 H -3.703 3.065 -6.411 1.00 . A A . 6 GLN HB2 1 1 6 2283 1 1 6 GLN HB3 H -2.091 2.792 -5.791 1.00 . A A . 6 GLN HB3 1 1 6 2284 1 1 6 GLN HE21 H -2.557 4.716 -9.534 1.00 . A A . 6 GLN HE21 1 1 6 2285 1 1 6 GLN HE22 H -4.019 4.295 -10.288 1.00 . A A . 6 GLN HE22 1 1 6 2286 1 1 6 GLN HG2 H -1.565 3.563 -7.914 1.00 . A A . 6 GLN HG2 1 1 6 2287 1 1 6 GLN HG3 H -1.681 1.844 -8.269 1.00 . A A . 6 GLN HG3 1 1 6 2288 1 1 6 GLN N N -4.236 0.848 -5.394 1.00 . A A . 6 GLN N 1 1 6 2289 1 1 6 GLN NE2 N -3.307 4.095 -9.645 1.00 . A A . 6 GLN NE2 1 1 6 2290 1 1 6 GLN O O -1.493 0.470 -4.727 1.00 . A A . 6 GLN O 1 1 6 2291 1 1 6 GLN OE1 O -4.290 2.234 -9.084 1.00 . A A . 6 GLN OE1 1 1 6 2292 1 1 7 LYS C C 0.925 -0.693 -5.669 1.00 . A A . 7 LYS C 1 1 6 2293 1 1 7 LYS CA C -0.248 -1.530 -6.218 1.00 . A A . 7 LYS CA 1 1 6 2294 1 1 7 LYS CB C 0.204 -2.365 -7.449 1.00 . A A . 7 LYS CB 1 1 6 2295 1 1 7 LYS CD C 0.371 -4.640 -6.249 1.00 . A A . 7 LYS CD 1 1 6 2296 1 1 7 LYS CE C -0.246 -5.651 -7.228 1.00 . A A . 7 LYS CE 1 1 6 2297 1 1 7 LYS CG C 1.144 -3.525 -7.013 1.00 . A A . 7 LYS CG 1 1 6 2298 1 1 7 LYS H H -1.823 -0.843 -7.512 1.00 . A A . 7 LYS H 1 1 6 2299 1 1 7 LYS HA H -0.592 -2.194 -5.445 1.00 . A A . 7 LYS HA 1 1 6 2300 1 1 7 LYS HB2 H -0.660 -2.767 -7.956 1.00 . A A . 7 LYS HB2 1 1 6 2301 1 1 7 LYS HB3 H 0.730 -1.729 -8.147 1.00 . A A . 7 LYS HB3 1 1 6 2302 1 1 7 LYS HD2 H 1.056 -5.159 -5.595 1.00 . A A . 7 LYS HD2 1 1 6 2303 1 1 7 LYS HD3 H -0.416 -4.221 -5.646 1.00 . A A . 7 LYS HD3 1 1 6 2304 1 1 7 LYS HE2 H -0.780 -5.145 -8.020 1.00 . A A . 7 LYS HE2 1 1 6 2305 1 1 7 LYS HE3 H 0.525 -6.271 -7.663 1.00 . A A . 7 LYS HE3 1 1 6 2306 1 1 7 LYS HG2 H 1.612 -3.945 -7.893 1.00 . A A . 7 LYS HG2 1 1 6 2307 1 1 7 LYS HG3 H 1.925 -3.137 -6.376 1.00 . A A . 7 LYS HG3 1 1 6 2308 1 1 7 LYS HZ1 H -0.958 -6.541 -5.484 1.00 . A A . 7 LYS HZ1 1 1 6 2309 1 1 7 LYS HZ2 H -2.170 -6.163 -6.610 1.00 . A A . 7 LYS HZ2 1 1 6 2310 1 1 7 LYS HZ3 H -1.151 -7.494 -6.877 1.00 . A A . 7 LYS HZ3 1 1 6 2311 1 1 7 LYS N N -1.422 -0.699 -6.629 1.00 . A A . 7 LYS N 1 1 6 2312 1 1 7 LYS NZ N -1.203 -6.529 -6.495 1.00 . A A . 7 LYS NZ 1 1 6 2313 1 1 7 LYS O O 1.705 -0.138 -6.419 1.00 . A A . 7 LYS O 1 1 6 2314 1 1 8 CYS C C 2.744 -0.790 -2.615 1.00 . A A . 8 CYS C 1 1 6 2315 1 1 8 CYS CA C 2.063 0.118 -3.640 1.00 . A A . 8 CYS CA 1 1 6 2316 1 1 8 CYS CB C 1.429 1.312 -2.930 1.00 . A A . 8 CYS CB 1 1 6 2317 1 1 8 CYS H H 0.323 -1.125 -3.831 1.00 . A A . 8 CYS H 1 1 6 2318 1 1 8 CYS HA H 2.805 0.459 -4.347 1.00 . A A . 8 CYS HA 1 1 6 2319 1 1 8 CYS HB2 H 2.212 1.874 -2.440 1.00 . A A . 8 CYS HB2 1 1 6 2320 1 1 8 CYS HB3 H 0.994 1.955 -3.679 1.00 . A A . 8 CYS HB3 1 1 6 2321 1 1 8 CYS N N 0.995 -0.645 -4.360 1.00 . A A . 8 CYS N 1 1 6 2322 1 1 8 CYS O O 2.109 -1.643 -2.025 1.00 . A A . 8 CYS O 1 1 6 2323 1 1 8 CYS SG S 0.133 1.001 -1.706 1.00 . A A . 8 CYS SG 1 1 6 2324 1 1 9 PHE C C 4.774 -0.790 -0.057 1.00 . A A . 9 PHE C 1 1 6 2325 1 1 9 PHE CA C 4.795 -1.399 -1.459 1.00 . A A . 9 PHE CA 1 1 6 2326 1 1 9 PHE CB C 6.256 -1.525 -1.948 1.00 . A A . 9 PHE CB 1 1 6 2327 1 1 9 PHE CD1 C 7.014 -3.761 -1.027 1.00 . A A . 9 PHE CD1 1 1 6 2328 1 1 9 PHE CD2 C 6.449 -3.629 -3.342 1.00 . A A . 9 PHE CD2 1 1 6 2329 1 1 9 PHE CE1 C 7.303 -5.102 -1.174 1.00 . A A . 9 PHE CE1 1 1 6 2330 1 1 9 PHE CE2 C 6.737 -4.970 -3.490 1.00 . A A . 9 PHE CE2 1 1 6 2331 1 1 9 PHE CG C 6.585 -3.016 -2.110 1.00 . A A . 9 PHE CG 1 1 6 2332 1 1 9 PHE CZ C 7.164 -5.707 -2.406 1.00 . A A . 9 PHE CZ 1 1 6 2333 1 1 9 PHE H H 4.473 0.136 -2.938 1.00 . A A . 9 PHE H 1 1 6 2334 1 1 9 PHE HA H 4.338 -2.377 -1.406 1.00 . A A . 9 PHE HA 1 1 6 2335 1 1 9 PHE HB2 H 6.385 -1.033 -2.902 1.00 . A A . 9 PHE HB2 1 1 6 2336 1 1 9 PHE HB3 H 6.949 -1.093 -1.240 1.00 . A A . 9 PHE HB3 1 1 6 2337 1 1 9 PHE HD1 H 7.123 -3.292 -0.058 1.00 . A A . 9 PHE HD1 1 1 6 2338 1 1 9 PHE HD2 H 6.114 -3.056 -4.196 1.00 . A A . 9 PHE HD2 1 1 6 2339 1 1 9 PHE HE1 H 7.637 -5.680 -0.325 1.00 . A A . 9 PHE HE1 1 1 6 2340 1 1 9 PHE HE2 H 6.628 -5.440 -4.456 1.00 . A A . 9 PHE HE2 1 1 6 2341 1 1 9 PHE HZ H 7.390 -6.757 -2.522 1.00 . A A . 9 PHE HZ 1 1 6 2342 1 1 9 PHE N N 4.021 -0.572 -2.433 1.00 . A A . 9 PHE N 1 1 6 2343 1 1 9 PHE O O 4.668 0.409 0.117 1.00 . A A . 9 PHE O 1 1 6 2344 1 1 10 GLN C C 6.061 -0.384 2.662 1.00 . A A . 10 GLN C 1 1 6 2345 1 1 10 GLN CA C 4.884 -1.309 2.336 1.00 . A A . 10 GLN CA 1 1 6 2346 1 1 10 GLN CB C 4.991 -2.588 3.190 1.00 . A A . 10 GLN CB 1 1 6 2347 1 1 10 GLN CD C 2.495 -3.156 3.257 1.00 . A A . 10 GLN CD 1 1 6 2348 1 1 10 GLN CG C 3.894 -3.616 2.810 1.00 . A A . 10 GLN CG 1 1 6 2349 1 1 10 GLN H H 4.956 -2.623 0.667 1.00 . A A . 10 GLN H 1 1 6 2350 1 1 10 GLN HA H 3.957 -0.808 2.536 1.00 . A A . 10 GLN HA 1 1 6 2351 1 1 10 GLN HB2 H 5.959 -3.041 3.028 1.00 . A A . 10 GLN HB2 1 1 6 2352 1 1 10 GLN HB3 H 4.907 -2.335 4.237 1.00 . A A . 10 GLN HB3 1 1 6 2353 1 1 10 GLN HE21 H 1.617 -4.758 2.478 1.00 . A A . 10 GLN HE21 1 1 6 2354 1 1 10 GLN HE22 H 0.575 -3.657 3.241 1.00 . A A . 10 GLN HE22 1 1 6 2355 1 1 10 GLN HG2 H 3.876 -3.786 1.743 1.00 . A A . 10 GLN HG2 1 1 6 2356 1 1 10 GLN HG3 H 4.110 -4.555 3.299 1.00 . A A . 10 GLN HG3 1 1 6 2357 1 1 10 GLN N N 4.879 -1.679 0.897 1.00 . A A . 10 GLN N 1 1 6 2358 1 1 10 GLN NE2 N 1.479 -3.920 2.968 1.00 . A A . 10 GLN NE2 1 1 6 2359 1 1 10 GLN O O 5.959 0.491 3.500 1.00 . A A . 10 GLN O 1 1 6 2360 1 1 10 GLN OE1 O 2.306 -2.119 3.862 1.00 . A A . 10 GLN OE1 1 1 6 2361 1 1 11 HIS C C 8.273 1.585 1.543 1.00 . A A . 11 HIS C 1 1 6 2362 1 1 11 HIS CA C 8.391 0.184 2.166 1.00 . A A . 11 HIS CA 1 1 6 2363 1 1 11 HIS CB C 9.582 -0.570 1.530 1.00 . A A . 11 HIS CB 1 1 6 2364 1 1 11 HIS CD2 C 9.215 -2.787 2.954 1.00 . A A . 11 HIS CD2 1 1 6 2365 1 1 11 HIS CE1 C 9.471 -4.163 1.425 1.00 . A A . 11 HIS CE1 1 1 6 2366 1 1 11 HIS CG C 9.474 -2.079 1.791 1.00 . A A . 11 HIS CG 1 1 6 2367 1 1 11 HIS H H 7.143 -1.347 1.311 1.00 . A A . 11 HIS H 1 1 6 2368 1 1 11 HIS HA H 8.566 0.296 3.227 1.00 . A A . 11 HIS HA 1 1 6 2369 1 1 11 HIS HB2 H 9.604 -0.410 0.463 1.00 . A A . 11 HIS HB2 1 1 6 2370 1 1 11 HIS HB3 H 10.511 -0.215 1.954 1.00 . A A . 11 HIS HB3 1 1 6 2371 1 1 11 HIS HD1 H 9.817 -2.827 -0.055 1.00 . A A . 11 HIS HD1 1 1 6 2372 1 1 11 HIS HD2 H 9.037 -2.343 3.922 1.00 . A A . 11 HIS HD2 1 1 6 2373 1 1 11 HIS HE1 H 9.546 -5.092 0.880 1.00 . A A . 11 HIS HE1 1 1 6 2374 1 1 11 HIS N N 7.147 -0.622 1.971 1.00 . A A . 11 HIS N 1 1 6 2375 1 1 11 HIS ND1 N 9.621 -2.994 0.890 1.00 . A A . 11 HIS ND1 1 1 6 2376 1 1 11 HIS NE2 N 9.216 -4.082 2.707 1.00 . A A . 11 HIS NE2 1 1 6 2377 1 1 11 HIS O O 9.058 2.458 1.861 1.00 . A A . 11 HIS O 1 1 6 2378 1 1 12 LEU C C 5.596 3.340 -0.213 1.00 . A A . 12 LEU C 1 1 6 2379 1 1 12 LEU CA C 7.095 3.082 0.010 1.00 . A A . 12 LEU CA 1 1 6 2380 1 1 12 LEU CB C 7.872 3.088 -1.345 1.00 . A A . 12 LEU CB 1 1 6 2381 1 1 12 LEU CD1 C 7.119 2.232 -3.621 1.00 . A A . 12 LEU CD1 1 1 6 2382 1 1 12 LEU CD2 C 8.817 0.934 -2.302 1.00 . A A . 12 LEU CD2 1 1 6 2383 1 1 12 LEU CG C 7.554 1.815 -2.199 1.00 . A A . 12 LEU CG 1 1 6 2384 1 1 12 LEU H H 6.705 1.011 0.464 1.00 . A A . 12 LEU H 1 1 6 2385 1 1 12 LEU HA H 7.478 3.867 0.646 1.00 . A A . 12 LEU HA 1 1 6 2386 1 1 12 LEU HB2 H 7.612 3.984 -1.891 1.00 . A A . 12 LEU HB2 1 1 6 2387 1 1 12 LEU HB3 H 8.930 3.137 -1.129 1.00 . A A . 12 LEU HB3 1 1 6 2388 1 1 12 LEU HD11 H 6.303 2.937 -3.574 1.00 . A A . 12 LEU HD11 1 1 6 2389 1 1 12 LEU HD12 H 7.942 2.690 -4.149 1.00 . A A . 12 LEU HD12 1 1 6 2390 1 1 12 LEU HD13 H 6.792 1.362 -4.175 1.00 . A A . 12 LEU HD13 1 1 6 2391 1 1 12 LEU HD21 H 9.174 0.682 -1.315 1.00 . A A . 12 LEU HD21 1 1 6 2392 1 1 12 LEU HD22 H 8.595 0.021 -2.834 1.00 . A A . 12 LEU HD22 1 1 6 2393 1 1 12 LEU HD23 H 9.602 1.459 -2.827 1.00 . A A . 12 LEU HD23 1 1 6 2394 1 1 12 LEU HG H 6.759 1.242 -1.745 1.00 . A A . 12 LEU HG 1 1 6 2395 1 1 12 LEU N N 7.303 1.757 0.678 1.00 . A A . 12 LEU N 1 1 6 2396 1 1 12 LEU O O 5.062 3.166 -1.293 1.00 . A A . 12 LEU O 1 1 6 2397 1 1 13 ASP C C 3.318 5.449 0.202 1.00 . A A . 13 ASP C 1 1 6 2398 1 1 13 ASP CA C 3.504 4.060 0.820 1.00 . A A . 13 ASP CA 1 1 6 2399 1 1 13 ASP CB C 2.957 4.015 2.263 1.00 . A A . 13 ASP CB 1 1 6 2400 1 1 13 ASP CG C 2.683 2.555 2.681 1.00 . A A . 13 ASP CG 1 1 6 2401 1 1 13 ASP H H 5.460 3.870 1.693 1.00 . A A . 13 ASP H 1 1 6 2402 1 1 13 ASP HA H 3.000 3.326 0.205 1.00 . A A . 13 ASP HA 1 1 6 2403 1 1 13 ASP HB2 H 3.672 4.444 2.950 1.00 . A A . 13 ASP HB2 1 1 6 2404 1 1 13 ASP HB3 H 2.039 4.581 2.321 1.00 . A A . 13 ASP HB3 1 1 6 2405 1 1 13 ASP N N 4.966 3.757 0.856 1.00 . A A . 13 ASP N 1 1 6 2406 1 1 13 ASP O O 3.399 6.467 0.864 1.00 . A A . 13 ASP O 1 1 6 2407 1 1 13 ASP OD1 O 3.560 1.732 2.465 1.00 . A A . 13 ASP OD1 1 1 6 2408 1 1 13 ASP OD2 O 1.602 2.341 3.200 1.00 . A A . 13 ASP OD2 1 1 6 2409 1 1 14 ASP C C 1.368 7.042 -1.882 1.00 . A A . 14 ASP C 1 1 6 2410 1 1 14 ASP CA C 2.856 6.652 -1.890 1.00 . A A . 14 ASP CA 1 1 6 2411 1 1 14 ASP CB C 3.325 6.362 -3.326 1.00 . A A . 14 ASP CB 1 1 6 2412 1 1 14 ASP CG C 2.867 4.945 -3.736 1.00 . A A . 14 ASP CG 1 1 6 2413 1 1 14 ASP H H 3.022 4.549 -1.532 1.00 . A A . 14 ASP H 1 1 6 2414 1 1 14 ASP HA H 3.433 7.460 -1.470 1.00 . A A . 14 ASP HA 1 1 6 2415 1 1 14 ASP HB2 H 2.897 7.075 -4.010 1.00 . A A . 14 ASP HB2 1 1 6 2416 1 1 14 ASP HB3 H 4.403 6.427 -3.386 1.00 . A A . 14 ASP HB3 1 1 6 2417 1 1 14 ASP N N 3.069 5.415 -1.078 1.00 . A A . 14 ASP N 1 1 6 2418 1 1 14 ASP O O 0.999 8.078 -2.400 1.00 . A A . 14 ASP O 1 1 6 2419 1 1 14 ASP OD1 O 1.671 4.797 -3.926 1.00 . A A . 14 ASP OD1 1 1 6 2420 1 1 14 ASP OD2 O 3.735 4.091 -3.831 1.00 . A A . 14 ASP OD2 1 1 6 2421 1 1 15 CYS C C -1.265 7.718 -0.484 1.00 . A A . 15 CYS C 1 1 6 2422 1 1 15 CYS CA C -0.898 6.417 -1.194 1.00 . A A . 15 CYS CA 1 1 6 2423 1 1 15 CYS CB C -1.501 5.234 -0.454 1.00 . A A . 15 CYS CB 1 1 6 2424 1 1 15 CYS H H 0.937 5.377 -0.888 1.00 . A A . 15 CYS H 1 1 6 2425 1 1 15 CYS HA H -1.303 6.448 -2.193 1.00 . A A . 15 CYS HA 1 1 6 2426 1 1 15 CYS HB2 H -1.331 5.367 0.603 1.00 . A A . 15 CYS HB2 1 1 6 2427 1 1 15 CYS HB3 H -2.568 5.218 -0.616 1.00 . A A . 15 CYS HB3 1 1 6 2428 1 1 15 CYS N N 0.570 6.192 -1.287 1.00 . A A . 15 CYS N 1 1 6 2429 1 1 15 CYS O O -0.512 8.240 0.315 1.00 . A A . 15 CYS O 1 1 6 2430 1 1 15 CYS SG S -0.842 3.609 -0.887 1.00 . A A . 15 CYS SG 1 1 6 2431 1 1 16 CYS C C -3.227 9.156 1.253 1.00 . A A . 16 CYS C 1 1 6 2432 1 1 16 CYS CA C -2.974 9.441 -0.235 1.00 . A A . 16 CYS CA 1 1 6 2433 1 1 16 CYS CB C -4.274 9.805 -0.978 1.00 . A A . 16 CYS CB 1 1 6 2434 1 1 16 CYS H H -2.970 7.692 -1.480 1.00 . A A . 16 CYS H 1 1 6 2435 1 1 16 CYS HA H -2.233 10.219 -0.322 1.00 . A A . 16 CYS HA 1 1 6 2436 1 1 16 CYS HB2 H -4.239 9.395 -1.977 1.00 . A A . 16 CYS HB2 1 1 6 2437 1 1 16 CYS HB3 H -5.110 9.346 -0.473 1.00 . A A . 16 CYS HB3 1 1 6 2438 1 1 16 CYS N N -2.438 8.182 -0.824 1.00 . A A . 16 CYS N 1 1 6 2439 1 1 16 CYS O O -3.038 10.008 2.099 1.00 . A A . 16 CYS O 1 1 6 2440 1 1 16 CYS SG S -4.634 11.570 -1.132 1.00 . A A . 16 CYS SG 1 1 6 2441 1 1 17 SER C C -2.622 7.069 3.562 1.00 . A A . 17 SER C 1 1 6 2442 1 1 17 SER CA C -3.945 7.465 2.882 1.00 . A A . 17 SER CA 1 1 6 2443 1 1 17 SER CB C -4.879 6.258 2.775 1.00 . A A . 17 SER CB 1 1 6 2444 1 1 17 SER H H -3.787 7.306 0.771 1.00 . A A . 17 SER H 1 1 6 2445 1 1 17 SER HA H -4.415 8.260 3.445 1.00 . A A . 17 SER HA 1 1 6 2446 1 1 17 SER HB2 H -5.205 5.936 3.745 1.00 . A A . 17 SER HB2 1 1 6 2447 1 1 17 SER HB3 H -5.732 6.467 2.147 1.00 . A A . 17 SER HB3 1 1 6 2448 1 1 17 SER HG H -3.831 5.533 1.303 1.00 . A A . 17 SER HG 1 1 6 2449 1 1 17 SER N N -3.651 7.941 1.503 1.00 . A A . 17 SER N 1 1 6 2450 1 1 17 SER O O -2.562 6.914 4.767 1.00 . A A . 17 SER O 1 1 6 2451 1 1 17 SER OG O -4.088 5.235 2.179 1.00 . A A . 17 SER OG 1 1 6 2452 1 1 18 ARG C C -0.282 5.126 3.819 1.00 . A A . 18 ARG C 1 1 6 2453 1 1 18 ARG CA C -0.233 6.532 3.195 1.00 . A A . 18 ARG CA 1 1 6 2454 1 1 18 ARG CB C 0.287 7.565 4.243 1.00 . A A . 18 ARG CB 1 1 6 2455 1 1 18 ARG CD C 1.298 9.841 3.770 1.00 . A A . 18 ARG CD 1 1 6 2456 1 1 18 ARG CG C -0.001 9.024 3.778 1.00 . A A . 18 ARG CG 1 1 6 2457 1 1 18 ARG CZ C 3.236 9.980 2.328 1.00 . A A . 18 ARG CZ 1 1 6 2458 1 1 18 ARG H H -1.754 7.064 1.781 1.00 . A A . 18 ARG H 1 1 6 2459 1 1 18 ARG HA H 0.421 6.508 2.336 1.00 . A A . 18 ARG HA 1 1 6 2460 1 1 18 ARG HB2 H -0.187 7.396 5.198 1.00 . A A . 18 ARG HB2 1 1 6 2461 1 1 18 ARG HB3 H 1.349 7.414 4.372 1.00 . A A . 18 ARG HB3 1 1 6 2462 1 1 18 ARG HD2 H 1.081 10.882 3.577 1.00 . A A . 18 ARG HD2 1 1 6 2463 1 1 18 ARG HD3 H 1.813 9.754 4.716 1.00 . A A . 18 ARG HD3 1 1 6 2464 1 1 18 ARG HE H 1.950 8.466 2.239 1.00 . A A . 18 ARG HE 1 1 6 2465 1 1 18 ARG HG2 H -0.425 9.042 2.785 1.00 . A A . 18 ARG HG2 1 1 6 2466 1 1 18 ARG HG3 H -0.709 9.482 4.454 1.00 . A A . 18 ARG HG3 1 1 6 2467 1 1 18 ARG HH11 H 4.304 9.337 3.893 1.00 . A A . 18 ARG HH11 1 1 6 2468 1 1 18 ARG HH12 H 5.130 10.410 2.813 1.00 . A A . 18 ARG HH12 1 1 6 2469 1 1 18 ARG HH21 H 2.355 10.740 0.699 1.00 . A A . 18 ARG HH21 1 1 6 2470 1 1 18 ARG HH22 H 3.999 11.224 0.959 1.00 . A A . 18 ARG HH22 1 1 6 2471 1 1 18 ARG N N -1.607 6.919 2.739 1.00 . A A . 18 ARG N 1 1 6 2472 1 1 18 ARG NE N 2.173 9.311 2.682 1.00 . A A . 18 ARG NE 1 1 6 2473 1 1 18 ARG NH1 N 4.307 9.903 3.069 1.00 . A A . 18 ARG NH1 1 1 6 2474 1 1 18 ARG NH2 N 3.193 10.704 1.244 1.00 . A A . 18 ARG NH2 1 1 6 2475 1 1 18 ARG O O 0.574 4.751 4.597 1.00 . A A . 18 ARG O 1 1 6 2476 1 1 19 LYS C C -1.666 2.039 2.758 1.00 . A A . 19 LYS C 1 1 6 2477 1 1 19 LYS CA C -1.527 3.013 3.934 1.00 . A A . 19 LYS CA 1 1 6 2478 1 1 19 LYS CB C -2.804 3.023 4.780 1.00 . A A . 19 LYS CB 1 1 6 2479 1 1 19 LYS CD C -3.657 4.027 6.937 1.00 . A A . 19 LYS CD 1 1 6 2480 1 1 19 LYS CE C -3.341 4.238 8.429 1.00 . A A . 19 LYS CE 1 1 6 2481 1 1 19 LYS CG C -2.459 3.330 6.256 1.00 . A A . 19 LYS CG 1 1 6 2482 1 1 19 LYS H H -1.956 4.763 2.806 1.00 . A A . 19 LYS H 1 1 6 2483 1 1 19 LYS HA H -0.686 2.704 4.538 1.00 . A A . 19 LYS HA 1 1 6 2484 1 1 19 LYS HB2 H -3.485 3.767 4.392 1.00 . A A . 19 LYS HB2 1 1 6 2485 1 1 19 LYS HB3 H -3.286 2.063 4.703 1.00 . A A . 19 LYS HB3 1 1 6 2486 1 1 19 LYS HD2 H -3.840 4.985 6.472 1.00 . A A . 19 LYS HD2 1 1 6 2487 1 1 19 LYS HD3 H -4.546 3.419 6.837 1.00 . A A . 19 LYS HD3 1 1 6 2488 1 1 19 LYS HE2 H -2.850 3.369 8.845 1.00 . A A . 19 LYS HE2 1 1 6 2489 1 1 19 LYS HE3 H -2.700 5.098 8.557 1.00 . A A . 19 LYS HE3 1 1 6 2490 1 1 19 LYS HG2 H -2.237 2.404 6.768 1.00 . A A . 19 LYS HG2 1 1 6 2491 1 1 19 LYS HG3 H -1.593 3.974 6.315 1.00 . A A . 19 LYS HG3 1 1 6 2492 1 1 19 LYS HZ1 H -5.097 5.295 8.789 1.00 . A A . 19 LYS HZ1 1 1 6 2493 1 1 19 LYS HZ2 H -5.212 3.632 9.109 1.00 . A A . 19 LYS HZ2 1 1 6 2494 1 1 19 LYS HZ3 H -4.380 4.648 10.187 1.00 . A A . 19 LYS HZ3 1 1 6 2495 1 1 19 LYS N N -1.304 4.398 3.438 1.00 . A A . 19 LYS N 1 1 6 2496 1 1 19 LYS NZ N -4.603 4.471 9.186 1.00 . A A . 19 LYS NZ 1 1 6 2497 1 1 19 LYS O O -2.491 2.238 1.886 1.00 . A A . 19 LYS O 1 1 6 2498 1 1 20 CYS C C -1.185 -1.333 2.452 1.00 . A A . 20 CYS C 1 1 6 2499 1 1 20 CYS CA C -0.837 -0.025 1.731 1.00 . A A . 20 CYS CA 1 1 6 2500 1 1 20 CYS CB C 0.562 -0.057 1.120 1.00 . A A . 20 CYS CB 1 1 6 2501 1 1 20 CYS H H -0.193 0.922 3.505 1.00 . A A . 20 CYS H 1 1 6 2502 1 1 20 CYS HA H -1.589 0.203 0.991 1.00 . A A . 20 CYS HA 1 1 6 2503 1 1 20 CYS HB2 H 1.290 -0.113 1.917 1.00 . A A . 20 CYS HB2 1 1 6 2504 1 1 20 CYS HB3 H 0.652 -0.954 0.542 1.00 . A A . 20 CYS HB3 1 1 6 2505 1 1 20 CYS N N -0.844 1.021 2.782 1.00 . A A . 20 CYS N 1 1 6 2506 1 1 20 CYS O O -0.448 -1.770 3.315 1.00 . A A . 20 CYS O 1 1 6 2507 1 1 20 CYS SG S 0.981 1.371 0.090 1.00 . A A . 20 CYS SG 1 1 6 2508 1 1 21 ASN C C -1.826 -4.398 2.382 1.00 . A A . 21 ASN C 1 1 6 2509 1 1 21 ASN CA C -2.730 -3.202 2.726 1.00 . A A . 21 ASN CA 1 1 6 2510 1 1 21 ASN CB C -4.179 -3.492 2.287 1.00 . A A . 21 ASN CB 1 1 6 2511 1 1 21 ASN CG C -4.266 -3.780 0.781 1.00 . A A . 21 ASN CG 1 1 6 2512 1 1 21 ASN H H -2.846 -1.522 1.377 1.00 . A A . 21 ASN H 1 1 6 2513 1 1 21 ASN HA H -2.716 -3.064 3.798 1.00 . A A . 21 ASN HA 1 1 6 2514 1 1 21 ASN HB2 H -4.562 -4.349 2.823 1.00 . A A . 21 ASN HB2 1 1 6 2515 1 1 21 ASN HB3 H -4.808 -2.643 2.512 1.00 . A A . 21 ASN HB3 1 1 6 2516 1 1 21 ASN HD21 H -6.239 -3.997 0.834 1.00 . A A . 21 ASN HD21 1 1 6 2517 1 1 21 ASN HD22 H -5.511 -4.201 -0.686 1.00 . A A . 21 ASN HD22 1 1 6 2518 1 1 21 ASN N N -2.295 -1.921 2.082 1.00 . A A . 21 ASN N 1 1 6 2519 1 1 21 ASN ND2 N -5.439 -4.011 0.269 1.00 . A A . 21 ASN ND2 1 1 6 2520 1 1 21 ASN O O -0.854 -4.269 1.664 1.00 . A A . 21 ASN O 1 1 6 2521 1 1 21 ASN OD1 O -3.290 -3.800 0.057 1.00 . A A . 21 ASN OD1 1 1 6 2522 1 1 22 ARG C C -1.417 -7.261 1.249 1.00 . A A . 22 ARG C 1 1 6 2523 1 1 22 ARG CA C -1.467 -6.804 2.714 1.00 . A A . 22 ARG CA 1 1 6 2524 1 1 22 ARG CB C -2.137 -7.878 3.596 1.00 . A A . 22 ARG CB 1 1 6 2525 1 1 22 ARG CD C -3.889 -9.622 2.932 1.00 . A A . 22 ARG CD 1 1 6 2526 1 1 22 ARG CG C -3.620 -8.113 3.177 1.00 . A A . 22 ARG CG 1 1 6 2527 1 1 22 ARG CZ C -6.066 -9.984 3.960 1.00 . A A . 22 ARG CZ 1 1 6 2528 1 1 22 ARG H H -3.003 -5.557 3.476 1.00 . A A . 22 ARG H 1 1 6 2529 1 1 22 ARG HA H -0.465 -6.640 3.064 1.00 . A A . 22 ARG HA 1 1 6 2530 1 1 22 ARG HB2 H -1.558 -8.784 3.532 1.00 . A A . 22 ARG HB2 1 1 6 2531 1 1 22 ARG HB3 H -2.113 -7.545 4.623 1.00 . A A . 22 ARG HB3 1 1 6 2532 1 1 22 ARG HD2 H -4.379 -9.766 1.981 1.00 . A A . 22 ARG HD2 1 1 6 2533 1 1 22 ARG HD3 H -2.975 -10.198 2.934 1.00 . A A . 22 ARG HD3 1 1 6 2534 1 1 22 ARG HE H -4.373 -10.608 4.789 1.00 . A A . 22 ARG HE 1 1 6 2535 1 1 22 ARG HG2 H -4.266 -7.743 3.959 1.00 . A A . 22 ARG HG2 1 1 6 2536 1 1 22 ARG HG3 H -3.853 -7.567 2.275 1.00 . A A . 22 ARG HG3 1 1 6 2537 1 1 22 ARG HH11 H -6.329 -11.583 2.784 1.00 . A A . 22 ARG HH11 1 1 6 2538 1 1 22 ARG HH12 H -7.768 -10.719 3.209 1.00 . A A . 22 ARG HH12 1 1 6 2539 1 1 22 ARG HH21 H -6.037 -8.355 5.123 1.00 . A A . 22 ARG HH21 1 1 6 2540 1 1 22 ARG HH22 H -7.600 -8.849 4.563 1.00 . A A . 22 ARG HH22 1 1 6 2541 1 1 22 ARG N N -2.205 -5.531 2.919 1.00 . A A . 22 ARG N 1 1 6 2542 1 1 22 ARG NE N -4.769 -10.143 4.023 1.00 . A A . 22 ARG NE 1 1 6 2543 1 1 22 ARG NH1 N -6.776 -10.828 3.264 1.00 . A A . 22 ARG NH1 1 1 6 2544 1 1 22 ARG NH2 N -6.609 -8.985 4.598 1.00 . A A . 22 ARG NH2 1 1 6 2545 1 1 22 ARG O O -0.613 -8.100 0.892 1.00 . A A . 22 ARG O 1 1 6 2546 1 1 23 PHE C C -1.370 -6.115 -1.768 1.00 . A A . 23 PHE C 1 1 6 2547 1 1 23 PHE CA C -2.340 -7.039 -1.003 1.00 . A A . 23 PHE CA 1 1 6 2548 1 1 23 PHE CB C -3.783 -6.828 -1.477 1.00 . A A . 23 PHE CB 1 1 6 2549 1 1 23 PHE CD1 C -4.742 -9.171 -1.276 1.00 . A A . 23 PHE CD1 1 1 6 2550 1 1 23 PHE CD2 C -5.606 -7.481 0.168 1.00 . A A . 23 PHE CD2 1 1 6 2551 1 1 23 PHE CE1 C -5.603 -10.091 -0.712 1.00 . A A . 23 PHE CE1 1 1 6 2552 1 1 23 PHE CE2 C -6.467 -8.400 0.732 1.00 . A A . 23 PHE CE2 1 1 6 2553 1 1 23 PHE CG C -4.736 -7.857 -0.842 1.00 . A A . 23 PHE CG 1 1 6 2554 1 1 23 PHE CZ C -6.466 -9.706 0.290 1.00 . A A . 23 PHE CZ 1 1 6 2555 1 1 23 PHE H H -2.909 -6.020 0.781 1.00 . A A . 23 PHE H 1 1 6 2556 1 1 23 PHE HA H -2.037 -8.066 -1.147 1.00 . A A . 23 PHE HA 1 1 6 2557 1 1 23 PHE HB2 H -4.115 -5.836 -1.214 1.00 . A A . 23 PHE HB2 1 1 6 2558 1 1 23 PHE HB3 H -3.832 -6.925 -2.546 1.00 . A A . 23 PHE HB3 1 1 6 2559 1 1 23 PHE HD1 H -4.070 -9.482 -2.062 1.00 . A A . 23 PHE HD1 1 1 6 2560 1 1 23 PHE HD2 H -5.614 -6.462 0.521 1.00 . A A . 23 PHE HD2 1 1 6 2561 1 1 23 PHE HE1 H -5.600 -11.113 -1.058 1.00 . A A . 23 PHE HE1 1 1 6 2562 1 1 23 PHE HE2 H -7.142 -8.097 1.519 1.00 . A A . 23 PHE HE2 1 1 6 2563 1 1 23 PHE HZ H -7.140 -10.427 0.729 1.00 . A A . 23 PHE HZ 1 1 6 2564 1 1 23 PHE N N -2.280 -6.691 0.446 1.00 . A A . 23 PHE N 1 1 6 2565 1 1 23 PHE O O -1.418 -6.038 -2.982 1.00 . A A . 23 PHE O 1 1 6 2566 1 1 24 ASN C C -0.199 -3.530 -2.540 1.00 . A A . 24 ASN C 1 1 6 2567 1 1 24 ASN CA C 0.496 -4.499 -1.578 1.00 . A A . 24 ASN CA 1 1 6 2568 1 1 24 ASN CB C 1.601 -5.300 -2.310 1.00 . A A . 24 ASN CB 1 1 6 2569 1 1 24 ASN CG C 2.486 -5.977 -1.255 1.00 . A A . 24 ASN CG 1 1 6 2570 1 1 24 ASN H H -0.545 -5.576 -0.048 1.00 . A A . 24 ASN H 1 1 6 2571 1 1 24 ASN HA H 0.915 -3.925 -0.764 1.00 . A A . 24 ASN HA 1 1 6 2572 1 1 24 ASN HB2 H 1.174 -6.051 -2.959 1.00 . A A . 24 ASN HB2 1 1 6 2573 1 1 24 ASN HB3 H 2.217 -4.636 -2.899 1.00 . A A . 24 ASN HB3 1 1 6 2574 1 1 24 ASN HD21 H 3.600 -4.358 -0.963 1.00 . A A . 24 ASN HD21 1 1 6 2575 1 1 24 ASN HD22 H 4.025 -5.708 -0.029 1.00 . A A . 24 ASN HD22 1 1 6 2576 1 1 24 ASN N N -0.518 -5.448 -1.017 1.00 . A A . 24 ASN N 1 1 6 2577 1 1 24 ASN ND2 N 3.450 -5.291 -0.703 1.00 . A A . 24 ASN ND2 1 1 6 2578 1 1 24 ASN O O 0.326 -3.160 -3.570 1.00 . A A . 24 ASN O 1 1 6 2579 1 1 24 ASN OD1 O 2.308 -7.132 -0.924 1.00 . A A . 24 ASN OD1 1 1 6 2580 1 1 25 LYS C C -2.551 -1.081 -1.896 1.00 . A A . 25 LYS C 1 1 6 2581 1 1 25 LYS CA C -2.280 -2.238 -2.859 1.00 . A A . 25 LYS CA 1 1 6 2582 1 1 25 LYS CB C -3.568 -2.989 -3.197 1.00 . A A . 25 LYS CB 1 1 6 2583 1 1 25 LYS CD C -3.922 -2.985 -5.689 1.00 . A A . 25 LYS CD 1 1 6 2584 1 1 25 LYS CE C -3.472 -3.614 -7.019 1.00 . A A . 25 LYS CE 1 1 6 2585 1 1 25 LYS CG C -3.395 -3.806 -4.500 1.00 . A A . 25 LYS CG 1 1 6 2586 1 1 25 LYS H H -1.713 -3.529 -1.275 1.00 . A A . 25 LYS H 1 1 6 2587 1 1 25 LYS HA H -1.785 -1.860 -3.739 1.00 . A A . 25 LYS HA 1 1 6 2588 1 1 25 LYS HB2 H -3.810 -3.668 -2.395 1.00 . A A . 25 LYS HB2 1 1 6 2589 1 1 25 LYS HB3 H -4.375 -2.282 -3.282 1.00 . A A . 25 LYS HB3 1 1 6 2590 1 1 25 LYS HD2 H -5.002 -2.949 -5.652 1.00 . A A . 25 LYS HD2 1 1 6 2591 1 1 25 LYS HD3 H -3.537 -1.979 -5.629 1.00 . A A . 25 LYS HD3 1 1 6 2592 1 1 25 LYS HE2 H -3.769 -2.980 -7.841 1.00 . A A . 25 LYS HE2 1 1 6 2593 1 1 25 LYS HE3 H -2.400 -3.728 -7.036 1.00 . A A . 25 LYS HE3 1 1 6 2594 1 1 25 LYS HG2 H -2.356 -4.060 -4.651 1.00 . A A . 25 LYS HG2 1 1 6 2595 1 1 25 LYS HG3 H -3.962 -4.722 -4.420 1.00 . A A . 25 LYS HG3 1 1 6 2596 1 1 25 LYS HZ1 H -4.722 -5.165 -6.401 1.00 . A A . 25 LYS HZ1 1 1 6 2597 1 1 25 LYS HZ2 H -4.654 -4.958 -8.085 1.00 . A A . 25 LYS HZ2 1 1 6 2598 1 1 25 LYS HZ3 H -3.354 -5.678 -7.266 1.00 . A A . 25 LYS HZ3 1 1 6 2599 1 1 25 LYS N N -1.383 -3.170 -2.123 1.00 . A A . 25 LYS N 1 1 6 2600 1 1 25 LYS NZ N -4.098 -4.955 -7.206 1.00 . A A . 25 LYS NZ 1 1 6 2601 1 1 25 LYS O O -2.383 -1.246 -0.703 1.00 . A A . 25 LYS O 1 1 6 2602 1 1 26 CYS C C -4.583 1.027 -0.804 1.00 . A A . 26 CYS C 1 1 6 2603 1 1 26 CYS CA C -3.233 1.196 -1.494 1.00 . A A . 26 CYS CA 1 1 6 2604 1 1 26 CYS CB C -3.225 2.498 -2.296 1.00 . A A . 26 CYS CB 1 1 6 2605 1 1 26 CYS H H -3.105 0.167 -3.368 1.00 . A A . 26 CYS H 1 1 6 2606 1 1 26 CYS HA H -2.461 1.241 -0.740 1.00 . A A . 26 CYS HA 1 1 6 2607 1 1 26 CYS HB2 H -3.772 2.348 -3.206 1.00 . A A . 26 CYS HB2 1 1 6 2608 1 1 26 CYS HB3 H -3.755 3.243 -1.730 1.00 . A A . 26 CYS HB3 1 1 6 2609 1 1 26 CYS N N -2.963 0.053 -2.406 1.00 . A A . 26 CYS N 1 1 6 2610 1 1 26 CYS O O -5.355 0.142 -1.122 1.00 . A A . 26 CYS O 1 1 6 2611 1 1 26 CYS SG S -1.616 3.210 -2.710 1.00 . A A . 26 CYS SG 1 1 6 2612 1 1 27 VAL C C -6.698 3.332 0.860 1.00 . A A . 27 VAL C 1 1 6 2613 1 1 27 VAL CA C -6.061 1.924 0.934 1.00 . A A . 27 VAL CA 1 1 6 2614 1 1 27 VAL CB C -5.697 1.531 2.398 1.00 . A A . 27 VAL CB 1 1 6 2615 1 1 27 VAL CG1 C -6.982 1.376 3.244 1.00 . A A . 27 VAL CG1 1 1 6 2616 1 1 27 VAL CG2 C -4.956 0.168 2.400 1.00 . A A . 27 VAL CG2 1 1 6 2617 1 1 27 VAL H H -4.106 2.577 0.308 1.00 . A A . 27 VAL H 1 1 6 2618 1 1 27 VAL HA H -6.758 1.209 0.520 1.00 . A A . 27 VAL HA 1 1 6 2619 1 1 27 VAL HB H -5.059 2.291 2.827 1.00 . A A . 27 VAL HB 1 1 6 2620 1 1 27 VAL HG11 H -7.720 0.799 2.704 1.00 . A A . 27 VAL HG11 1 1 6 2621 1 1 27 VAL HG12 H -6.763 0.869 4.173 1.00 . A A . 27 VAL HG12 1 1 6 2622 1 1 27 VAL HG13 H -7.398 2.345 3.477 1.00 . A A . 27 VAL HG13 1 1 6 2623 1 1 27 VAL HG21 H -5.583 -0.593 1.958 1.00 . A A . 27 VAL HG21 1 1 6 2624 1 1 27 VAL HG22 H -4.037 0.229 1.835 1.00 . A A . 27 VAL HG22 1 1 6 2625 1 1 27 VAL HG23 H -4.714 -0.124 3.412 1.00 . A A . 27 VAL HG23 1 1 6 2626 1 1 27 VAL N N -4.799 1.908 0.132 1.00 . A A . 27 VAL N 1 1 6 2627 1 1 27 VAL O O -7.870 3.421 1.187 1.00 . A A . 27 VAL O 1 1 6 2628 1 1 27 VAL OXT O -5.989 4.250 0.478 1.00 . A A . 27 VAL OXT 1 1 7 2629 1 1 1 CYS C C -1.723 10.157 -4.556 1.00 . A A . 1 CYS C 1 1 7 2630 1 1 1 CYS CA C -0.932 11.239 -3.796 1.00 . A A . 1 CYS CA 1 1 7 2631 1 1 1 CYS CB C -1.846 12.133 -2.894 1.00 . A A . 1 CYS CB 1 1 7 2632 1 1 1 CYS H1 H 0.261 11.523 -5.475 1.00 . A A . 1 CYS H1 1 1 7 2633 1 1 1 CYS H2 H -1.064 12.581 -5.382 1.00 . A A . 1 CYS H2 1 1 7 2634 1 1 1 CYS H3 H 0.287 12.822 -4.380 1.00 . A A . 1 CYS H3 1 1 7 2635 1 1 1 CYS HA H -0.146 10.775 -3.219 1.00 . A A . 1 CYS HA 1 1 7 2636 1 1 1 CYS HB2 H -1.659 11.859 -1.867 1.00 . A A . 1 CYS HB2 1 1 7 2637 1 1 1 CYS HB3 H -1.510 13.155 -2.999 1.00 . A A . 1 CYS HB3 1 1 7 2638 1 1 1 CYS N N -0.316 12.107 -4.836 1.00 . A A . 1 CYS N 1 1 7 2639 1 1 1 CYS O O -2.727 10.437 -5.184 1.00 . A A . 1 CYS O 1 1 7 2640 1 1 1 CYS SG S -3.643 12.154 -3.122 1.00 . A A . 1 CYS SG 1 1 7 2641 1 1 2 ARG C C -3.285 7.466 -4.605 1.00 . A A . 2 ARG C 1 1 7 2642 1 1 2 ARG CA C -1.897 7.784 -5.172 1.00 . A A . 2 ARG CA 1 1 7 2643 1 1 2 ARG CB C -0.981 6.545 -5.039 1.00 . A A . 2 ARG CB 1 1 7 2644 1 1 2 ARG CD C 0.987 5.357 -6.001 1.00 . A A . 2 ARG CD 1 1 7 2645 1 1 2 ARG CG C -0.114 6.383 -6.305 1.00 . A A . 2 ARG CG 1 1 7 2646 1 1 2 ARG CZ C 2.079 3.578 -7.237 1.00 . A A . 2 ARG CZ 1 1 7 2647 1 1 2 ARG H H -0.427 8.781 -3.952 1.00 . A A . 2 ARG H 1 1 7 2648 1 1 2 ARG HA H -2.016 8.043 -6.215 1.00 . A A . 2 ARG HA 1 1 7 2649 1 1 2 ARG HB2 H -0.331 6.664 -4.185 1.00 . A A . 2 ARG HB2 1 1 7 2650 1 1 2 ARG HB3 H -1.569 5.651 -4.894 1.00 . A A . 2 ARG HB3 1 1 7 2651 1 1 2 ARG HD2 H 1.828 5.855 -5.540 1.00 . A A . 2 ARG HD2 1 1 7 2652 1 1 2 ARG HD3 H 0.619 4.584 -5.341 1.00 . A A . 2 ARG HD3 1 1 7 2653 1 1 2 ARG HE H 1.284 5.166 -8.130 1.00 . A A . 2 ARG HE 1 1 7 2654 1 1 2 ARG HG2 H -0.726 6.052 -7.129 1.00 . A A . 2 ARG HG2 1 1 7 2655 1 1 2 ARG HG3 H 0.339 7.330 -6.569 1.00 . A A . 2 ARG HG3 1 1 7 2656 1 1 2 ARG HH11 H 3.139 4.047 -5.604 1.00 . A A . 2 ARG HH11 1 1 7 2657 1 1 2 ARG HH12 H 3.437 2.473 -6.262 1.00 . A A . 2 ARG HH12 1 1 7 2658 1 1 2 ARG HH21 H 1.138 2.896 -8.864 1.00 . A A . 2 ARG HH21 1 1 7 2659 1 1 2 ARG HH22 H 2.279 1.808 -8.148 1.00 . A A . 2 ARG HH22 1 1 7 2660 1 1 2 ARG N N -1.238 8.940 -4.477 1.00 . A A . 2 ARG N 1 1 7 2661 1 1 2 ARG NE N 1.450 4.725 -7.272 1.00 . A A . 2 ARG NE 1 1 7 2662 1 1 2 ARG NH1 N 2.953 3.348 -6.294 1.00 . A A . 2 ARG NH1 1 1 7 2663 1 1 2 ARG NH2 N 1.811 2.691 -8.154 1.00 . A A . 2 ARG NH2 1 1 7 2664 1 1 2 ARG O O -3.584 7.779 -3.472 1.00 . A A . 2 ARG O 1 1 7 2665 1 1 3 ILE C C -5.446 5.276 -4.032 1.00 . A A . 3 ILE C 1 1 7 2666 1 1 3 ILE CA C -5.479 6.471 -5.008 1.00 . A A . 3 ILE CA 1 1 7 2667 1 1 3 ILE CB C -6.259 6.129 -6.298 1.00 . A A . 3 ILE CB 1 1 7 2668 1 1 3 ILE CD1 C -6.459 4.330 -8.068 1.00 . A A . 3 ILE CD1 1 1 7 2669 1 1 3 ILE CG1 C -5.511 5.014 -7.085 1.00 . A A . 3 ILE CG1 1 1 7 2670 1 1 3 ILE CG2 C -6.342 7.397 -7.180 1.00 . A A . 3 ILE CG2 1 1 7 2671 1 1 3 ILE H H -3.815 6.605 -6.329 1.00 . A A . 3 ILE H 1 1 7 2672 1 1 3 ILE HA H -5.931 7.318 -4.512 1.00 . A A . 3 ILE HA 1 1 7 2673 1 1 3 ILE HB H -7.252 5.798 -6.047 1.00 . A A . 3 ILE HB 1 1 7 2674 1 1 3 ILE HD11 H -7.302 3.913 -7.539 1.00 . A A . 3 ILE HD11 1 1 7 2675 1 1 3 ILE HD12 H -6.812 5.044 -8.799 1.00 . A A . 3 ILE HD12 1 1 7 2676 1 1 3 ILE HD13 H -5.933 3.538 -8.578 1.00 . A A . 3 ILE HD13 1 1 7 2677 1 1 3 ILE HG12 H -4.687 5.441 -7.638 1.00 . A A . 3 ILE HG12 1 1 7 2678 1 1 3 ILE HG13 H -5.120 4.268 -6.408 1.00 . A A . 3 ILE HG13 1 1 7 2679 1 1 3 ILE HG21 H -6.752 8.220 -6.614 1.00 . A A . 3 ILE HG21 1 1 7 2680 1 1 3 ILE HG22 H -5.359 7.676 -7.532 1.00 . A A . 3 ILE HG22 1 1 7 2681 1 1 3 ILE HG23 H -6.976 7.216 -8.037 1.00 . A A . 3 ILE HG23 1 1 7 2682 1 1 3 ILE N N -4.096 6.844 -5.421 1.00 . A A . 3 ILE N 1 1 7 2683 1 1 3 ILE O O -4.402 4.688 -3.835 1.00 . A A . 3 ILE O 1 1 7 2684 1 1 4 HYP C C -6.572 2.497 -3.976 1.00 . A A . 4 HYP C 1 1 7 2685 1 1 4 HYP CA C -6.807 3.574 -2.903 1.00 . A A . 4 HYP CA 1 1 7 2686 1 1 4 HYP CB C -8.250 3.569 -2.391 1.00 . A A . 4 HYP CB 1 1 7 2687 1 1 4 HYP CD C -7.715 5.871 -3.216 1.00 . A A . 4 HYP CD 1 1 7 2688 1 1 4 HYP CG C -8.679 5.061 -2.321 1.00 . A A . 4 HYP CG 1 1 7 2689 1 1 4 HYP HA H -6.131 3.407 -2.078 1.00 . A A . 4 HYP HA 1 1 7 2690 1 1 4 HYP HB2 H -8.311 3.090 -1.426 1.00 . A A . 4 HYP HB2 1 1 7 2691 1 1 4 HYP HB3 H -8.895 3.044 -3.081 1.00 . A A . 4 HYP HB3 1 1 7 2692 1 1 4 HYP HD1 H -7.450 5.236 -0.818 1.00 . A A . 4 HYP HD1 1 1 7 2693 1 1 4 HYP HD22 H -7.364 6.772 -2.731 1.00 . A A . 4 HYP HD22 1 1 7 2694 1 1 4 HYP HD23 H -8.180 6.116 -4.159 1.00 . A A . 4 HYP HD23 1 1 7 2695 1 1 4 HYP HG H -9.724 5.227 -2.533 1.00 . A A . 4 HYP HG 1 1 7 2696 1 1 4 HYP N N -6.572 4.945 -3.437 1.00 . A A . 4 HYP N 1 1 7 2697 1 1 4 HYP O O -6.714 2.761 -5.152 1.00 . A A . 4 HYP O 1 1 7 2698 1 1 4 HYP OD1 O -8.367 5.457 -0.991 1.00 . A A . 4 HYP OD1 1 1 7 2699 1 1 5 ASN C C -4.658 0.204 -5.201 1.00 . A A . 5 ASN C 1 1 7 2700 1 1 5 ASN CA C -5.929 0.112 -4.334 1.00 . A A . 5 ASN CA 1 1 7 2701 1 1 5 ASN CB C -7.188 -0.195 -5.247 1.00 . A A . 5 ASN CB 1 1 7 2702 1 1 5 ASN CG C -7.091 0.255 -6.727 1.00 . A A . 5 ASN CG 1 1 7 2703 1 1 5 ASN H H -6.139 1.248 -2.528 1.00 . A A . 5 ASN H 1 1 7 2704 1 1 5 ASN HA H -5.802 -0.716 -3.653 1.00 . A A . 5 ASN HA 1 1 7 2705 1 1 5 ASN HB2 H -7.354 -1.263 -5.240 1.00 . A A . 5 ASN HB2 1 1 7 2706 1 1 5 ASN HB3 H -8.063 0.270 -4.819 1.00 . A A . 5 ASN HB3 1 1 7 2707 1 1 5 ASN HD21 H -8.421 -1.094 -7.318 1.00 . A A . 5 ASN HD21 1 1 7 2708 1 1 5 ASN HD22 H -7.793 -0.108 -8.547 1.00 . A A . 5 ASN HD22 1 1 7 2709 1 1 5 ASN N N -6.218 1.330 -3.500 1.00 . A A . 5 ASN N 1 1 7 2710 1 1 5 ASN ND2 N -7.830 -0.367 -7.603 1.00 . A A . 5 ASN ND2 1 1 7 2711 1 1 5 ASN O O -4.240 -0.791 -5.759 1.00 . A A . 5 ASN O 1 1 7 2712 1 1 5 ASN OD1 O -6.366 1.152 -7.112 1.00 . A A . 5 ASN OD1 1 1 7 2713 1 1 6 GLN C C -1.703 0.650 -5.620 1.00 . A A . 6 GLN C 1 1 7 2714 1 1 6 GLN CA C -2.837 1.554 -6.118 1.00 . A A . 6 GLN CA 1 1 7 2715 1 1 6 GLN CB C -2.379 3.034 -6.049 1.00 . A A . 6 GLN CB 1 1 7 2716 1 1 6 GLN CD C -1.385 3.378 -8.344 1.00 . A A . 6 GLN CD 1 1 7 2717 1 1 6 GLN CG C -2.563 3.708 -7.420 1.00 . A A . 6 GLN CG 1 1 7 2718 1 1 6 GLN H H -4.460 2.146 -4.827 1.00 . A A . 6 GLN H 1 1 7 2719 1 1 6 GLN HA H -3.071 1.276 -7.137 1.00 . A A . 6 GLN HA 1 1 7 2720 1 1 6 GLN HB2 H -2.968 3.564 -5.319 1.00 . A A . 6 GLN HB2 1 1 7 2721 1 1 6 GLN HB3 H -1.343 3.103 -5.751 1.00 . A A . 6 GLN HB3 1 1 7 2722 1 1 6 GLN HE21 H -1.203 5.257 -8.952 1.00 . A A . 6 GLN HE21 1 1 7 2723 1 1 6 GLN HE22 H -0.101 4.168 -9.635 1.00 . A A . 6 GLN HE22 1 1 7 2724 1 1 6 GLN HG2 H -3.472 3.373 -7.896 1.00 . A A . 6 GLN HG2 1 1 7 2725 1 1 6 GLN HG3 H -2.608 4.780 -7.291 1.00 . A A . 6 GLN HG3 1 1 7 2726 1 1 6 GLN N N -4.078 1.377 -5.296 1.00 . A A . 6 GLN N 1 1 7 2727 1 1 6 GLN NE2 N -0.851 4.347 -9.034 1.00 . A A . 6 GLN NE2 1 1 7 2728 1 1 6 GLN O O -1.345 0.687 -4.459 1.00 . A A . 6 GLN O 1 1 7 2729 1 1 6 GLN OE1 O -0.944 2.249 -8.448 1.00 . A A . 6 GLN OE1 1 1 7 2730 1 1 7 LYS C C 1.116 -0.324 -5.547 1.00 . A A . 7 LYS C 1 1 7 2731 1 1 7 LYS CA C -0.066 -1.072 -6.188 1.00 . A A . 7 LYS CA 1 1 7 2732 1 1 7 LYS CB C 0.381 -1.787 -7.486 1.00 . A A . 7 LYS CB 1 1 7 2733 1 1 7 LYS CD C -0.002 -4.200 -6.818 1.00 . A A . 7 LYS CD 1 1 7 2734 1 1 7 LYS CE C -0.837 -5.460 -7.082 1.00 . A A . 7 LYS CE 1 1 7 2735 1 1 7 LYS CG C -0.492 -3.045 -7.722 1.00 . A A . 7 LYS CG 1 1 7 2736 1 1 7 LYS H H -1.520 -0.106 -7.447 1.00 . A A . 7 LYS H 1 1 7 2737 1 1 7 LYS HA H -0.442 -1.794 -5.479 1.00 . A A . 7 LYS HA 1 1 7 2738 1 1 7 LYS HB2 H 0.271 -1.115 -8.325 1.00 . A A . 7 LYS HB2 1 1 7 2739 1 1 7 LYS HB3 H 1.422 -2.074 -7.420 1.00 . A A . 7 LYS HB3 1 1 7 2740 1 1 7 LYS HD2 H 1.040 -4.408 -7.019 1.00 . A A . 7 LYS HD2 1 1 7 2741 1 1 7 LYS HD3 H -0.101 -3.928 -5.779 1.00 . A A . 7 LYS HD3 1 1 7 2742 1 1 7 LYS HE2 H -1.891 -5.238 -7.018 1.00 . A A . 7 LYS HE2 1 1 7 2743 1 1 7 LYS HE3 H -0.618 -5.856 -8.063 1.00 . A A . 7 LYS HE3 1 1 7 2744 1 1 7 LYS HG2 H -1.528 -2.824 -7.509 1.00 . A A . 7 LYS HG2 1 1 7 2745 1 1 7 LYS HG3 H -0.415 -3.340 -8.759 1.00 . A A . 7 LYS HG3 1 1 7 2746 1 1 7 LYS HZ1 H 0.524 -6.584 -5.982 1.00 . A A . 7 LYS HZ1 1 1 7 2747 1 1 7 LYS HZ2 H -0.908 -6.220 -5.146 1.00 . A A . 7 LYS HZ2 1 1 7 2748 1 1 7 LYS HZ3 H -0.910 -7.409 -6.359 1.00 . A A . 7 LYS HZ3 1 1 7 2749 1 1 7 LYS N N -1.179 -0.134 -6.529 1.00 . A A . 7 LYS N 1 1 7 2750 1 1 7 LYS NZ N -0.508 -6.498 -6.064 1.00 . A A . 7 LYS NZ 1 1 7 2751 1 1 7 LYS O O 1.851 0.386 -6.209 1.00 . A A . 7 LYS O 1 1 7 2752 1 1 8 CYS C C 2.872 -0.871 -2.423 1.00 . A A . 8 CYS C 1 1 7 2753 1 1 8 CYS CA C 2.323 0.117 -3.454 1.00 . A A . 8 CYS CA 1 1 7 2754 1 1 8 CYS CB C 1.748 1.343 -2.760 1.00 . A A . 8 CYS CB 1 1 7 2755 1 1 8 CYS H H 0.595 -1.105 -3.804 1.00 . A A . 8 CYS H 1 1 7 2756 1 1 8 CYS HA H 3.130 0.411 -4.110 1.00 . A A . 8 CYS HA 1 1 7 2757 1 1 8 CYS HB2 H 2.516 1.786 -2.144 1.00 . A A . 8 CYS HB2 1 1 7 2758 1 1 8 CYS HB3 H 1.502 2.054 -3.535 1.00 . A A . 8 CYS HB3 1 1 7 2759 1 1 8 CYS N N 1.237 -0.521 -4.257 1.00 . A A . 8 CYS N 1 1 7 2760 1 1 8 CYS O O 2.205 -1.814 -2.044 1.00 . A A . 8 CYS O 1 1 7 2761 1 1 8 CYS SG S 0.265 1.149 -1.742 1.00 . A A . 8 CYS SG 1 1 7 2762 1 1 9 PHE C C 4.425 -1.047 0.437 1.00 . A A . 9 PHE C 1 1 7 2763 1 1 9 PHE CA C 4.735 -1.503 -0.989 1.00 . A A . 9 PHE CA 1 1 7 2764 1 1 9 PHE CB C 6.259 -1.483 -1.219 1.00 . A A . 9 PHE CB 1 1 7 2765 1 1 9 PHE CD1 C 6.544 -0.835 -3.663 1.00 . A A . 9 PHE CD1 1 1 7 2766 1 1 9 PHE CD2 C 6.899 -3.114 -3.058 1.00 . A A . 9 PHE CD2 1 1 7 2767 1 1 9 PHE CE1 C 6.828 -1.137 -4.978 1.00 . A A . 9 PHE CE1 1 1 7 2768 1 1 9 PHE CE2 C 7.183 -3.416 -4.374 1.00 . A A . 9 PHE CE2 1 1 7 2769 1 1 9 PHE CG C 6.576 -1.821 -2.689 1.00 . A A . 9 PHE CG 1 1 7 2770 1 1 9 PHE CZ C 7.148 -2.429 -5.335 1.00 . A A . 9 PHE CZ 1 1 7 2771 1 1 9 PHE H H 4.561 0.168 -2.336 1.00 . A A . 9 PHE H 1 1 7 2772 1 1 9 PHE HA H 4.375 -2.514 -1.119 1.00 . A A . 9 PHE HA 1 1 7 2773 1 1 9 PHE HB2 H 6.662 -0.511 -0.987 1.00 . A A . 9 PHE HB2 1 1 7 2774 1 1 9 PHE HB3 H 6.737 -2.213 -0.579 1.00 . A A . 9 PHE HB3 1 1 7 2775 1 1 9 PHE HD1 H 6.294 0.181 -3.397 1.00 . A A . 9 PHE HD1 1 1 7 2776 1 1 9 PHE HD2 H 6.929 -3.895 -2.313 1.00 . A A . 9 PHE HD2 1 1 7 2777 1 1 9 PHE HE1 H 6.799 -0.360 -5.728 1.00 . A A . 9 PHE HE1 1 1 7 2778 1 1 9 PHE HE2 H 7.433 -4.430 -4.653 1.00 . A A . 9 PHE HE2 1 1 7 2779 1 1 9 PHE HZ H 7.371 -2.666 -6.365 1.00 . A A . 9 PHE HZ 1 1 7 2780 1 1 9 PHE N N 4.079 -0.614 -1.995 1.00 . A A . 9 PHE N 1 1 7 2781 1 1 9 PHE O O 4.199 0.122 0.691 1.00 . A A . 9 PHE O 1 1 7 2782 1 1 10 GLN C C 5.130 -0.765 3.375 1.00 . A A . 10 GLN C 1 1 7 2783 1 1 10 GLN CA C 4.152 -1.784 2.764 1.00 . A A . 10 GLN CA 1 1 7 2784 1 1 10 GLN CB C 4.265 -3.132 3.523 1.00 . A A . 10 GLN CB 1 1 7 2785 1 1 10 GLN CD C 1.990 -3.878 2.666 1.00 . A A . 10 GLN CD 1 1 7 2786 1 1 10 GLN CG C 3.470 -4.262 2.812 1.00 . A A . 10 GLN CG 1 1 7 2787 1 1 10 GLN H H 4.613 -2.927 1.027 1.00 . A A . 10 GLN H 1 1 7 2788 1 1 10 GLN HA H 3.150 -1.406 2.840 1.00 . A A . 10 GLN HA 1 1 7 2789 1 1 10 GLN HB2 H 5.304 -3.422 3.587 1.00 . A A . 10 GLN HB2 1 1 7 2790 1 1 10 GLN HB3 H 3.886 -3.007 4.529 1.00 . A A . 10 GLN HB3 1 1 7 2791 1 1 10 GLN HE21 H 1.463 -4.779 4.356 1.00 . A A . 10 GLN HE21 1 1 7 2792 1 1 10 GLN HE22 H 0.199 -4.020 3.513 1.00 . A A . 10 GLN HE22 1 1 7 2793 1 1 10 GLN HG2 H 3.879 -4.465 1.832 1.00 . A A . 10 GLN HG2 1 1 7 2794 1 1 10 GLN HG3 H 3.533 -5.168 3.397 1.00 . A A . 10 GLN HG3 1 1 7 2795 1 1 10 GLN N N 4.428 -2.016 1.317 1.00 . A A . 10 GLN N 1 1 7 2796 1 1 10 GLN NE2 N 1.147 -4.257 3.588 1.00 . A A . 10 GLN NE2 1 1 7 2797 1 1 10 GLN O O 4.888 -0.244 4.447 1.00 . A A . 10 GLN O 1 1 7 2798 1 1 10 GLN OE1 O 1.592 -3.233 1.717 1.00 . A A . 10 GLN OE1 1 1 7 2799 1 1 11 HIS C C 7.131 1.710 2.254 1.00 . A A . 11 HIS C 1 1 7 2800 1 1 11 HIS CA C 7.260 0.436 3.093 1.00 . A A . 11 HIS CA 1 1 7 2801 1 1 11 HIS CB C 8.650 -0.199 2.875 1.00 . A A . 11 HIS CB 1 1 7 2802 1 1 11 HIS CD2 C 8.239 -2.137 4.640 1.00 . A A . 11 HIS CD2 1 1 7 2803 1 1 11 HIS CE1 C 8.967 -3.722 3.521 1.00 . A A . 11 HIS CE1 1 1 7 2804 1 1 11 HIS CG C 8.662 -1.632 3.422 1.00 . A A . 11 HIS CG 1 1 7 2805 1 1 11 HIS H H 6.317 -0.995 1.807 1.00 . A A . 11 HIS H 1 1 7 2806 1 1 11 HIS HA H 7.124 0.688 4.134 1.00 . A A . 11 HIS HA 1 1 7 2807 1 1 11 HIS HB2 H 8.892 -0.231 1.821 1.00 . A A . 11 HIS HB2 1 1 7 2808 1 1 11 HIS HB3 H 9.408 0.373 3.390 1.00 . A A . 11 HIS HB3 1 1 7 2809 1 1 11 HIS HD1 H 9.473 -2.653 1.877 1.00 . A A . 11 HIS HD1 1 1 7 2810 1 1 11 HIS HD2 H 7.811 -1.550 5.437 1.00 . A A . 11 HIS HD2 1 1 7 2811 1 1 11 HIS HE1 H 9.259 -4.716 3.214 1.00 . A A . 11 HIS HE1 1 1 7 2812 1 1 11 HIS N N 6.202 -0.527 2.659 1.00 . A A . 11 HIS N 1 1 7 2813 1 1 11 HIS ND1 N 9.099 -2.666 2.783 1.00 . A A . 11 HIS ND1 1 1 7 2814 1 1 11 HIS NE2 N 8.437 -3.439 4.684 1.00 . A A . 11 HIS NE2 1 1 7 2815 1 1 11 HIS O O 7.178 2.809 2.776 1.00 . A A . 11 HIS O 1 1 7 2816 1 1 12 LEU C C 5.336 2.988 -0.134 1.00 . A A . 12 LEU C 1 1 7 2817 1 1 12 LEU CA C 6.828 2.656 0.018 1.00 . A A . 12 LEU CA 1 1 7 2818 1 1 12 LEU CB C 7.445 2.254 -1.347 1.00 . A A . 12 LEU CB 1 1 7 2819 1 1 12 LEU CD1 C 9.389 1.032 -2.392 1.00 . A A . 12 LEU CD1 1 1 7 2820 1 1 12 LEU CD2 C 9.809 3.169 -1.125 1.00 . A A . 12 LEU CD2 1 1 7 2821 1 1 12 LEU CG C 8.949 1.885 -1.182 1.00 . A A . 12 LEU CG 1 1 7 2822 1 1 12 LEU H H 6.940 0.592 0.630 1.00 . A A . 12 LEU H 1 1 7 2823 1 1 12 LEU HA H 7.339 3.522 0.414 1.00 . A A . 12 LEU HA 1 1 7 2824 1 1 12 LEU HB2 H 6.902 1.410 -1.743 1.00 . A A . 12 LEU HB2 1 1 7 2825 1 1 12 LEU HB3 H 7.342 3.073 -2.043 1.00 . A A . 12 LEU HB3 1 1 7 2826 1 1 12 LEU HD11 H 9.152 1.539 -3.317 1.00 . A A . 12 LEU HD11 1 1 7 2827 1 1 12 LEU HD12 H 10.452 0.848 -2.358 1.00 . A A . 12 LEU HD12 1 1 7 2828 1 1 12 LEU HD13 H 8.874 0.083 -2.376 1.00 . A A . 12 LEU HD13 1 1 7 2829 1 1 12 LEU HD21 H 9.663 3.763 -2.016 1.00 . A A . 12 LEU HD21 1 1 7 2830 1 1 12 LEU HD22 H 9.538 3.762 -0.265 1.00 . A A . 12 LEU HD22 1 1 7 2831 1 1 12 LEU HD23 H 10.855 2.913 -1.046 1.00 . A A . 12 LEU HD23 1 1 7 2832 1 1 12 LEU HG H 9.102 1.312 -0.278 1.00 . A A . 12 LEU HG 1 1 7 2833 1 1 12 LEU N N 6.969 1.510 0.970 1.00 . A A . 12 LEU N 1 1 7 2834 1 1 12 LEU O O 4.760 2.887 -1.201 1.00 . A A . 12 LEU O 1 1 7 2835 1 1 13 ASP C C 3.186 5.173 0.483 1.00 . A A . 13 ASP C 1 1 7 2836 1 1 13 ASP CA C 3.314 3.740 1.014 1.00 . A A . 13 ASP CA 1 1 7 2837 1 1 13 ASP CB C 2.814 3.630 2.474 1.00 . A A . 13 ASP CB 1 1 7 2838 1 1 13 ASP CG C 3.336 2.322 3.099 1.00 . A A . 13 ASP CG 1 1 7 2839 1 1 13 ASP H H 5.291 3.426 1.799 1.00 . A A . 13 ASP H 1 1 7 2840 1 1 13 ASP HA H 2.758 3.070 0.377 1.00 . A A . 13 ASP HA 1 1 7 2841 1 1 13 ASP HB2 H 3.159 4.465 3.067 1.00 . A A . 13 ASP HB2 1 1 7 2842 1 1 13 ASP HB3 H 1.734 3.618 2.483 1.00 . A A . 13 ASP HB3 1 1 7 2843 1 1 13 ASP N N 4.762 3.375 0.977 1.00 . A A . 13 ASP N 1 1 7 2844 1 1 13 ASP O O 3.172 6.142 1.217 1.00 . A A . 13 ASP O 1 1 7 2845 1 1 13 ASP OD1 O 2.651 1.324 2.943 1.00 . A A . 13 ASP OD1 1 1 7 2846 1 1 13 ASP OD2 O 4.397 2.397 3.697 1.00 . A A . 13 ASP OD2 1 1 7 2847 1 1 14 ASP C C 1.497 6.914 -1.763 1.00 . A A . 14 ASP C 1 1 7 2848 1 1 14 ASP CA C 2.970 6.510 -1.575 1.00 . A A . 14 ASP CA 1 1 7 2849 1 1 14 ASP CB C 3.667 6.324 -2.951 1.00 . A A . 14 ASP CB 1 1 7 2850 1 1 14 ASP CG C 3.524 4.868 -3.457 1.00 . A A . 14 ASP CG 1 1 7 2851 1 1 14 ASP H H 3.119 4.386 -1.320 1.00 . A A . 14 ASP H 1 1 7 2852 1 1 14 ASP HA H 3.473 7.291 -1.025 1.00 . A A . 14 ASP HA 1 1 7 2853 1 1 14 ASP HB2 H 3.233 6.982 -3.688 1.00 . A A . 14 ASP HB2 1 1 7 2854 1 1 14 ASP HB3 H 4.716 6.566 -2.854 1.00 . A A . 14 ASP HB3 1 1 7 2855 1 1 14 ASP N N 3.099 5.225 -0.817 1.00 . A A . 14 ASP N 1 1 7 2856 1 1 14 ASP O O 1.203 7.885 -2.434 1.00 . A A . 14 ASP O 1 1 7 2857 1 1 14 ASP OD1 O 2.394 4.409 -3.494 1.00 . A A . 14 ASP OD1 1 1 7 2858 1 1 14 ASP OD2 O 4.551 4.292 -3.774 1.00 . A A . 14 ASP OD2 1 1 7 2859 1 1 15 CYS C C -1.203 7.760 -0.602 1.00 . A A . 15 CYS C 1 1 7 2860 1 1 15 CYS CA C -0.845 6.427 -1.255 1.00 . A A . 15 CYS CA 1 1 7 2861 1 1 15 CYS CB C -1.581 5.293 -0.564 1.00 . A A . 15 CYS CB 1 1 7 2862 1 1 15 CYS H H 0.913 5.385 -0.630 1.00 . A A . 15 CYS H 1 1 7 2863 1 1 15 CYS HA H -1.131 6.456 -2.293 1.00 . A A . 15 CYS HA 1 1 7 2864 1 1 15 CYS HB2 H -1.540 5.437 0.505 1.00 . A A . 15 CYS HB2 1 1 7 2865 1 1 15 CYS HB3 H -2.615 5.325 -0.859 1.00 . A A . 15 CYS HB3 1 1 7 2866 1 1 15 CYS N N 0.617 6.155 -1.159 1.00 . A A . 15 CYS N 1 1 7 2867 1 1 15 CYS O O -0.458 8.271 0.211 1.00 . A A . 15 CYS O 1 1 7 2868 1 1 15 CYS SG S -0.964 3.629 -0.896 1.00 . A A . 15 CYS SG 1 1 7 2869 1 1 16 CYS C C -3.021 9.344 1.099 1.00 . A A . 16 CYS C 1 1 7 2870 1 1 16 CYS CA C -2.798 9.585 -0.404 1.00 . A A . 16 CYS CA 1 1 7 2871 1 1 16 CYS CB C -4.105 10.006 -1.099 1.00 . A A . 16 CYS CB 1 1 7 2872 1 1 16 CYS H H -2.891 7.817 -1.637 1.00 . A A . 16 CYS H 1 1 7 2873 1 1 16 CYS HA H -2.024 10.325 -0.536 1.00 . A A . 16 CYS HA 1 1 7 2874 1 1 16 CYS HB2 H -4.130 9.587 -2.092 1.00 . A A . 16 CYS HB2 1 1 7 2875 1 1 16 CYS HB3 H -4.947 9.601 -0.556 1.00 . A A . 16 CYS HB3 1 1 7 2876 1 1 16 CYS N N -2.341 8.283 -0.978 1.00 . A A . 16 CYS N 1 1 7 2877 1 1 16 CYS O O -2.780 10.204 1.923 1.00 . A A . 16 CYS O 1 1 7 2878 1 1 16 CYS SG S -4.372 11.786 -1.273 1.00 . A A . 16 CYS SG 1 1 7 2879 1 1 17 SER C C -2.452 7.165 3.390 1.00 . A A . 17 SER C 1 1 7 2880 1 1 17 SER CA C -3.762 7.690 2.767 1.00 . A A . 17 SER CA 1 1 7 2881 1 1 17 SER CB C -4.807 6.576 2.693 1.00 . A A . 17 SER CB 1 1 7 2882 1 1 17 SER H H -3.653 7.513 0.656 1.00 . A A . 17 SER H 1 1 7 2883 1 1 17 SER HA H -4.130 8.519 3.354 1.00 . A A . 17 SER HA 1 1 7 2884 1 1 17 SER HB2 H -5.024 6.183 3.669 1.00 . A A . 17 SER HB2 1 1 7 2885 1 1 17 SER HB3 H -5.714 6.908 2.209 1.00 . A A . 17 SER HB3 1 1 7 2886 1 1 17 SER HG H -4.589 4.720 2.140 1.00 . A A . 17 SER HG 1 1 7 2887 1 1 17 SER N N -3.480 8.148 1.379 1.00 . A A . 17 SER N 1 1 7 2888 1 1 17 SER O O -2.353 6.999 4.591 1.00 . A A . 17 SER O 1 1 7 2889 1 1 17 SER OG O -4.192 5.563 1.906 1.00 . A A . 17 SER OG 1 1 7 2890 1 1 18 ARG C C -0.289 5.040 3.607 1.00 . A A . 18 ARG C 1 1 7 2891 1 1 18 ARG CA C -0.144 6.401 2.903 1.00 . A A . 18 ARG CA 1 1 7 2892 1 1 18 ARG CB C 0.564 7.428 3.847 1.00 . A A . 18 ARG CB 1 1 7 2893 1 1 18 ARG CD C 1.745 8.855 2.121 1.00 . A A . 18 ARG CD 1 1 7 2894 1 1 18 ARG CG C 0.632 8.830 3.186 1.00 . A A . 18 ARG CG 1 1 7 2895 1 1 18 ARG CZ C 1.934 10.060 0.021 1.00 . A A . 18 ARG CZ 1 1 7 2896 1 1 18 ARG H H -1.680 7.087 1.576 1.00 . A A . 18 ARG H 1 1 7 2897 1 1 18 ARG HA H 0.431 6.258 2.001 1.00 . A A . 18 ARG HA 1 1 7 2898 1 1 18 ARG HB2 H 0.034 7.501 4.785 1.00 . A A . 18 ARG HB2 1 1 7 2899 1 1 18 ARG HB3 H 1.565 7.082 4.058 1.00 . A A . 18 ARG HB3 1 1 7 2900 1 1 18 ARG HD2 H 2.718 8.893 2.588 1.00 . A A . 18 ARG HD2 1 1 7 2901 1 1 18 ARG HD3 H 1.686 7.982 1.490 1.00 . A A . 18 ARG HD3 1 1 7 2902 1 1 18 ARG HE H 1.177 10.886 1.661 1.00 . A A . 18 ARG HE 1 1 7 2903 1 1 18 ARG HG2 H -0.317 9.083 2.737 1.00 . A A . 18 ARG HG2 1 1 7 2904 1 1 18 ARG HG3 H 0.854 9.569 3.942 1.00 . A A . 18 ARG HG3 1 1 7 2905 1 1 18 ARG HH11 H 3.814 9.513 0.442 1.00 . A A . 18 ARG HH11 1 1 7 2906 1 1 18 ARG HH12 H 3.453 9.728 -1.238 1.00 . A A . 18 ARG HH12 1 1 7 2907 1 1 18 ARG HH21 H 0.121 10.602 -0.633 1.00 . A A . 18 ARG HH21 1 1 7 2908 1 1 18 ARG HH22 H 1.323 10.357 -1.858 1.00 . A A . 18 ARG HH22 1 1 7 2909 1 1 18 ARG N N -1.498 6.921 2.522 1.00 . A A . 18 ARG N 1 1 7 2910 1 1 18 ARG NE N 1.568 10.075 1.276 1.00 . A A . 18 ARG NE 1 1 7 2911 1 1 18 ARG NH1 N 3.163 9.742 -0.282 1.00 . A A . 18 ARG NH1 1 1 7 2912 1 1 18 ARG NH2 N 1.056 10.363 -0.894 1.00 . A A . 18 ARG NH2 1 1 7 2913 1 1 18 ARG O O 0.497 4.686 4.466 1.00 . A A . 18 ARG O 1 1 7 2914 1 1 19 LYS C C -1.747 1.951 2.630 1.00 . A A . 19 LYS C 1 1 7 2915 1 1 19 LYS CA C -1.612 2.979 3.765 1.00 . A A . 19 LYS CA 1 1 7 2916 1 1 19 LYS CB C -2.917 3.091 4.535 1.00 . A A . 19 LYS CB 1 1 7 2917 1 1 19 LYS CD C -3.457 3.035 7.019 1.00 . A A . 19 LYS CD 1 1 7 2918 1 1 19 LYS CE C -2.647 1.806 7.481 1.00 . A A . 19 LYS CE 1 1 7 2919 1 1 19 LYS CG C -2.694 3.788 5.903 1.00 . A A . 19 LYS CG 1 1 7 2920 1 1 19 LYS H H -1.912 4.656 2.511 1.00 . A A . 19 LYS H 1 1 7 2921 1 1 19 LYS HA H -0.814 2.667 4.423 1.00 . A A . 19 LYS HA 1 1 7 2922 1 1 19 LYS HB2 H -3.621 3.671 3.958 1.00 . A A . 19 LYS HB2 1 1 7 2923 1 1 19 LYS HB3 H -3.316 2.102 4.640 1.00 . A A . 19 LYS HB3 1 1 7 2924 1 1 19 LYS HD2 H -3.607 3.697 7.859 1.00 . A A . 19 LYS HD2 1 1 7 2925 1 1 19 LYS HD3 H -4.424 2.717 6.659 1.00 . A A . 19 LYS HD3 1 1 7 2926 1 1 19 LYS HE2 H -3.236 1.217 8.169 1.00 . A A . 19 LYS HE2 1 1 7 2927 1 1 19 LYS HE3 H -2.374 1.187 6.638 1.00 . A A . 19 LYS HE3 1 1 7 2928 1 1 19 LYS HG2 H -1.643 3.844 6.147 1.00 . A A . 19 LYS HG2 1 1 7 2929 1 1 19 LYS HG3 H -3.077 4.796 5.846 1.00 . A A . 19 LYS HG3 1 1 7 2930 1 1 19 LYS HZ1 H -1.453 3.258 8.379 1.00 . A A . 19 LYS HZ1 1 1 7 2931 1 1 19 LYS HZ2 H -1.305 1.714 9.071 1.00 . A A . 19 LYS HZ2 1 1 7 2932 1 1 19 LYS HZ3 H -0.581 2.046 7.570 1.00 . A A . 19 LYS HZ3 1 1 7 2933 1 1 19 LYS N N -1.309 4.321 3.203 1.00 . A A . 19 LYS N 1 1 7 2934 1 1 19 LYS NZ N -1.402 2.239 8.178 1.00 . A A . 19 LYS NZ 1 1 7 2935 1 1 19 LYS O O -2.568 2.123 1.750 1.00 . A A . 19 LYS O 1 1 7 2936 1 1 20 CYS C C -1.272 -1.472 2.380 1.00 . A A . 20 CYS C 1 1 7 2937 1 1 20 CYS CA C -0.952 -0.152 1.664 1.00 . A A . 20 CYS CA 1 1 7 2938 1 1 20 CYS CB C 0.423 -0.167 1.018 1.00 . A A . 20 CYS CB 1 1 7 2939 1 1 20 CYS H H -0.282 0.830 3.405 1.00 . A A . 20 CYS H 1 1 7 2940 1 1 20 CYS HA H -1.719 0.063 0.935 1.00 . A A . 20 CYS HA 1 1 7 2941 1 1 20 CYS HB2 H 1.167 -0.370 1.773 1.00 . A A . 20 CYS HB2 1 1 7 2942 1 1 20 CYS HB3 H 0.443 -0.978 0.325 1.00 . A A . 20 CYS HB3 1 1 7 2943 1 1 20 CYS N N -0.935 0.922 2.686 1.00 . A A . 20 CYS N 1 1 7 2944 1 1 20 CYS O O -0.509 -1.924 3.213 1.00 . A A . 20 CYS O 1 1 7 2945 1 1 20 CYS SG S 0.887 1.362 0.169 1.00 . A A . 20 CYS SG 1 1 7 2946 1 1 21 ASN C C -1.950 -4.547 2.316 1.00 . A A . 21 ASN C 1 1 7 2947 1 1 21 ASN CA C -2.837 -3.337 2.655 1.00 . A A . 21 ASN CA 1 1 7 2948 1 1 21 ASN CB C -4.292 -3.607 2.207 1.00 . A A . 21 ASN CB 1 1 7 2949 1 1 21 ASN CG C -4.390 -3.870 0.694 1.00 . A A . 21 ASN CG 1 1 7 2950 1 1 21 ASN H H -2.964 -1.627 1.358 1.00 . A A . 21 ASN H 1 1 7 2951 1 1 21 ASN HA H -2.830 -3.210 3.728 1.00 . A A . 21 ASN HA 1 1 7 2952 1 1 21 ASN HB2 H -4.691 -4.464 2.730 1.00 . A A . 21 ASN HB2 1 1 7 2953 1 1 21 ASN HB3 H -4.904 -2.752 2.445 1.00 . A A . 21 ASN HB3 1 1 7 2954 1 1 21 ASN HD21 H -6.376 -3.884 0.727 1.00 . A A . 21 ASN HD21 1 1 7 2955 1 1 21 ASN HD22 H -5.660 -4.145 -0.791 1.00 . A A . 21 ASN HD22 1 1 7 2956 1 1 21 ASN N N -2.396 -2.048 2.036 1.00 . A A . 21 ASN N 1 1 7 2957 1 1 21 ASN ND2 N -5.575 -3.975 0.168 1.00 . A A . 21 ASN ND2 1 1 7 2958 1 1 21 ASN O O -0.946 -4.435 1.639 1.00 . A A . 21 ASN O 1 1 7 2959 1 1 21 ASN OD1 O -3.414 -3.983 -0.022 1.00 . A A . 21 ASN OD1 1 1 7 2960 1 1 22 ARG C C -1.567 -7.386 1.153 1.00 . A A . 22 ARG C 1 1 7 2961 1 1 22 ARG CA C -1.703 -6.978 2.626 1.00 . A A . 22 ARG CA 1 1 7 2962 1 1 22 ARG CB C -2.493 -8.056 3.395 1.00 . A A . 22 ARG CB 1 1 7 2963 1 1 22 ARG CD C -4.656 -9.358 3.144 1.00 . A A . 22 ARG CD 1 1 7 2964 1 1 22 ARG CG C -4.016 -7.958 3.084 1.00 . A A . 22 ARG CG 1 1 7 2965 1 1 22 ARG CZ C -5.583 -9.624 5.369 1.00 . A A . 22 ARG CZ 1 1 7 2966 1 1 22 ARG H H -3.211 -5.673 3.343 1.00 . A A . 22 ARG H 1 1 7 2967 1 1 22 ARG HA H -0.724 -6.882 3.061 1.00 . A A . 22 ARG HA 1 1 7 2968 1 1 22 ARG HB2 H -2.117 -9.027 3.119 1.00 . A A . 22 ARG HB2 1 1 7 2969 1 1 22 ARG HB3 H -2.333 -7.925 4.456 1.00 . A A . 22 ARG HB3 1 1 7 2970 1 1 22 ARG HD2 H -5.688 -9.314 2.825 1.00 . A A . 22 ARG HD2 1 1 7 2971 1 1 22 ARG HD3 H -4.123 -10.050 2.507 1.00 . A A . 22 ARG HD3 1 1 7 2972 1 1 22 ARG HE H -3.805 -10.350 4.862 1.00 . A A . 22 ARG HE 1 1 7 2973 1 1 22 ARG HG2 H -4.490 -7.314 3.810 1.00 . A A . 22 ARG HG2 1 1 7 2974 1 1 22 ARG HG3 H -4.181 -7.537 2.105 1.00 . A A . 22 ARG HG3 1 1 7 2975 1 1 22 ARG HH11 H -4.897 -7.815 5.873 1.00 . A A . 22 ARG HH11 1 1 7 2976 1 1 22 ARG HH12 H -6.373 -8.296 6.642 1.00 . A A . 22 ARG HH12 1 1 7 2977 1 1 22 ARG HH21 H -6.442 -11.395 5.006 1.00 . A A . 22 ARG HH21 1 1 7 2978 1 1 22 ARG HH22 H -7.270 -10.378 6.137 1.00 . A A . 22 ARG HH22 1 1 7 2979 1 1 22 ARG N N -2.391 -5.674 2.817 1.00 . A A . 22 ARG N 1 1 7 2980 1 1 22 ARG NE N -4.591 -9.855 4.551 1.00 . A A . 22 ARG NE 1 1 7 2981 1 1 22 ARG NH1 N -5.620 -8.490 6.011 1.00 . A A . 22 ARG NH1 1 1 7 2982 1 1 22 ARG NH2 N -6.504 -10.537 5.515 1.00 . A A . 22 ARG NH2 1 1 7 2983 1 1 22 ARG O O -0.726 -8.196 0.812 1.00 . A A . 22 ARG O 1 1 7 2984 1 1 23 PHE C C -1.404 -6.158 -1.849 1.00 . A A . 23 PHE C 1 1 7 2985 1 1 23 PHE CA C -2.380 -7.110 -1.137 1.00 . A A . 23 PHE CA 1 1 7 2986 1 1 23 PHE CB C -3.816 -6.935 -1.685 1.00 . A A . 23 PHE CB 1 1 7 2987 1 1 23 PHE CD1 C -4.538 -9.087 -0.508 1.00 . A A . 23 PHE CD1 1 1 7 2988 1 1 23 PHE CD2 C -5.457 -8.602 -2.653 1.00 . A A . 23 PHE CD2 1 1 7 2989 1 1 23 PHE CE1 C -5.273 -10.253 -0.456 1.00 . A A . 23 PHE CE1 1 1 7 2990 1 1 23 PHE CE2 C -6.193 -9.767 -2.601 1.00 . A A . 23 PHE CE2 1 1 7 2991 1 1 23 PHE CG C -4.623 -8.247 -1.607 1.00 . A A . 23 PHE CG 1 1 7 2992 1 1 23 PHE CZ C -6.101 -10.595 -1.503 1.00 . A A . 23 PHE CZ 1 1 7 2993 1 1 23 PHE H H -3.050 -6.157 0.672 1.00 . A A . 23 PHE H 1 1 7 2994 1 1 23 PHE HA H -2.040 -8.125 -1.289 1.00 . A A . 23 PHE HA 1 1 7 2995 1 1 23 PHE HB2 H -4.342 -6.180 -1.120 1.00 . A A . 23 PHE HB2 1 1 7 2996 1 1 23 PHE HB3 H -3.777 -6.622 -2.715 1.00 . A A . 23 PHE HB3 1 1 7 2997 1 1 23 PHE HD1 H -3.894 -8.833 0.319 1.00 . A A . 23 PHE HD1 1 1 7 2998 1 1 23 PHE HD2 H -5.539 -7.961 -3.519 1.00 . A A . 23 PHE HD2 1 1 7 2999 1 1 23 PHE HE1 H -5.199 -10.898 0.406 1.00 . A A . 23 PHE HE1 1 1 7 3000 1 1 23 PHE HE2 H -6.841 -10.032 -3.424 1.00 . A A . 23 PHE HE2 1 1 7 3001 1 1 23 PHE HZ H -6.676 -11.507 -1.462 1.00 . A A . 23 PHE HZ 1 1 7 3002 1 1 23 PHE N N -2.400 -6.805 0.327 1.00 . A A . 23 PHE N 1 1 7 3003 1 1 23 PHE O O -1.427 -6.040 -3.059 1.00 . A A . 23 PHE O 1 1 7 3004 1 1 24 ASN C C -0.214 -3.536 -2.527 1.00 . A A . 24 ASN C 1 1 7 3005 1 1 24 ASN CA C 0.444 -4.546 -1.582 1.00 . A A . 24 ASN CA 1 1 7 3006 1 1 24 ASN CB C 1.555 -5.344 -2.306 1.00 . A A . 24 ASN CB 1 1 7 3007 1 1 24 ASN CG C 2.211 -6.289 -1.293 1.00 . A A . 24 ASN CG 1 1 7 3008 1 1 24 ASN H H -0.617 -5.672 -0.095 1.00 . A A . 24 ASN H 1 1 7 3009 1 1 24 ASN HA H 0.852 -4.003 -0.744 1.00 . A A . 24 ASN HA 1 1 7 3010 1 1 24 ASN HB2 H 1.149 -5.929 -3.118 1.00 . A A . 24 ASN HB2 1 1 7 3011 1 1 24 ASN HB3 H 2.308 -4.674 -2.696 1.00 . A A . 24 ASN HB3 1 1 7 3012 1 1 24 ASN HD21 H 0.731 -7.608 -1.388 1.00 . A A . 24 ASN HD21 1 1 7 3013 1 1 24 ASN HD22 H 1.999 -8.018 -0.337 1.00 . A A . 24 ASN HD22 1 1 7 3014 1 1 24 ASN N N -0.573 -5.515 -1.061 1.00 . A A . 24 ASN N 1 1 7 3015 1 1 24 ASN ND2 N 1.597 -7.398 -0.979 1.00 . A A . 24 ASN ND2 1 1 7 3016 1 1 24 ASN O O 0.337 -3.136 -3.533 1.00 . A A . 24 ASN O 1 1 7 3017 1 1 24 ASN OD1 O 3.282 -6.028 -0.782 1.00 . A A . 24 ASN OD1 1 1 7 3018 1 1 25 LYS C C -2.650 -1.133 -1.857 1.00 . A A . 25 LYS C 1 1 7 3019 1 1 25 LYS CA C -2.247 -2.202 -2.874 1.00 . A A . 25 LYS CA 1 1 7 3020 1 1 25 LYS CB C -3.457 -2.961 -3.423 1.00 . A A . 25 LYS CB 1 1 7 3021 1 1 25 LYS CD C -4.388 -4.008 -5.545 1.00 . A A . 25 LYS CD 1 1 7 3022 1 1 25 LYS CE C -4.822 -5.379 -4.989 1.00 . A A . 25 LYS CE 1 1 7 3023 1 1 25 LYS CG C -3.112 -3.506 -4.830 1.00 . A A . 25 LYS CG 1 1 7 3024 1 1 25 LYS H H -1.768 -3.557 -1.307 1.00 . A A . 25 LYS H 1 1 7 3025 1 1 25 LYS HA H -1.669 -1.735 -3.658 1.00 . A A . 25 LYS HA 1 1 7 3026 1 1 25 LYS HB2 H -3.693 -3.786 -2.766 1.00 . A A . 25 LYS HB2 1 1 7 3027 1 1 25 LYS HB3 H -4.310 -2.306 -3.452 1.00 . A A . 25 LYS HB3 1 1 7 3028 1 1 25 LYS HD2 H -5.191 -3.296 -5.412 1.00 . A A . 25 LYS HD2 1 1 7 3029 1 1 25 LYS HD3 H -4.191 -4.102 -6.604 1.00 . A A . 25 LYS HD3 1 1 7 3030 1 1 25 LYS HE2 H -5.041 -5.306 -3.934 1.00 . A A . 25 LYS HE2 1 1 7 3031 1 1 25 LYS HE3 H -5.709 -5.719 -5.502 1.00 . A A . 25 LYS HE3 1 1 7 3032 1 1 25 LYS HG2 H -2.662 -2.725 -5.425 1.00 . A A . 25 LYS HG2 1 1 7 3033 1 1 25 LYS HG3 H -2.395 -4.308 -4.740 1.00 . A A . 25 LYS HG3 1 1 7 3034 1 1 25 LYS HZ1 H -3.420 -6.357 -6.180 1.00 . A A . 25 LYS HZ1 1 1 7 3035 1 1 25 LYS HZ2 H -2.947 -6.180 -4.560 1.00 . A A . 25 LYS HZ2 1 1 7 3036 1 1 25 LYS HZ3 H -4.114 -7.339 -4.980 1.00 . A A . 25 LYS HZ3 1 1 7 3037 1 1 25 LYS N N -1.404 -3.174 -2.131 1.00 . A A . 25 LYS N 1 1 7 3038 1 1 25 LYS NZ N -3.744 -6.390 -5.193 1.00 . A A . 25 LYS NZ 1 1 7 3039 1 1 25 LYS O O -2.679 -1.405 -0.673 1.00 . A A . 25 LYS O 1 1 7 3040 1 1 26 CYS C C -4.701 0.901 -0.713 1.00 . A A . 26 CYS C 1 1 7 3041 1 1 26 CYS CA C -3.351 1.137 -1.392 1.00 . A A . 26 CYS CA 1 1 7 3042 1 1 26 CYS CB C -3.386 2.446 -2.172 1.00 . A A . 26 CYS CB 1 1 7 3043 1 1 26 CYS H H -2.935 0.232 -3.287 1.00 . A A . 26 CYS H 1 1 7 3044 1 1 26 CYS HA H -2.593 1.220 -0.628 1.00 . A A . 26 CYS HA 1 1 7 3045 1 1 26 CYS HB2 H -3.970 2.296 -3.061 1.00 . A A . 26 CYS HB2 1 1 7 3046 1 1 26 CYS HB3 H -3.891 3.189 -1.579 1.00 . A A . 26 CYS HB3 1 1 7 3047 1 1 26 CYS N N -2.957 0.049 -2.326 1.00 . A A . 26 CYS N 1 1 7 3048 1 1 26 CYS O O -5.436 -0.009 -1.048 1.00 . A A . 26 CYS O 1 1 7 3049 1 1 26 CYS SG S -1.797 3.146 -2.670 1.00 . A A . 26 CYS SG 1 1 7 3050 1 1 27 VAL C C -6.930 3.092 0.941 1.00 . A A . 27 VAL C 1 1 7 3051 1 1 27 VAL CA C -6.219 1.720 1.037 1.00 . A A . 27 VAL CA 1 1 7 3052 1 1 27 VAL CB C -5.841 1.375 2.507 1.00 . A A . 27 VAL CB 1 1 7 3053 1 1 27 VAL CG1 C -7.114 1.236 3.373 1.00 . A A . 27 VAL CG1 1 1 7 3054 1 1 27 VAL CG2 C -5.079 0.029 2.532 1.00 . A A . 27 VAL CG2 1 1 7 3055 1 1 27 VAL H H -4.286 2.448 0.431 1.00 . A A . 27 VAL H 1 1 7 3056 1 1 27 VAL HA H -6.876 0.961 0.636 1.00 . A A . 27 VAL HA 1 1 7 3057 1 1 27 VAL HB H -5.212 2.153 2.913 1.00 . A A . 27 VAL HB 1 1 7 3058 1 1 27 VAL HG11 H -7.856 0.635 2.867 1.00 . A A . 27 VAL HG11 1 1 7 3059 1 1 27 VAL HG12 H -6.873 0.768 4.317 1.00 . A A . 27 VAL HG12 1 1 7 3060 1 1 27 VAL HG13 H -7.533 2.210 3.575 1.00 . A A . 27 VAL HG13 1 1 7 3061 1 1 27 VAL HG21 H -5.685 -0.744 2.080 1.00 . A A . 27 VAL HG21 1 1 7 3062 1 1 27 VAL HG22 H -4.153 0.104 1.982 1.00 . A A . 27 VAL HG22 1 1 7 3063 1 1 27 VAL HG23 H -4.850 -0.259 3.547 1.00 . A A . 27 VAL HG23 1 1 7 3064 1 1 27 VAL N N -4.955 1.759 0.238 1.00 . A A . 27 VAL N 1 1 7 3065 1 1 27 VAL O O -8.138 3.091 1.118 1.00 . A A . 27 VAL O 1 1 7 3066 1 1 27 VAL OXT O -6.237 4.066 0.694 1.00 . A A . 27 VAL OXT 1 1 8 3067 1 1 1 CYS C C -1.362 10.123 -4.364 1.00 . A A . 1 CYS C 1 1 8 3068 1 1 1 CYS CA C -0.576 11.154 -3.528 1.00 . A A . 1 CYS CA 1 1 8 3069 1 1 1 CYS CB C -1.502 12.094 -2.690 1.00 . A A . 1 CYS CB 1 1 8 3070 1 1 1 CYS H1 H 0.792 11.380 -5.076 1.00 . A A . 1 CYS H1 1 1 8 3071 1 1 1 CYS H2 H -0.524 12.451 -5.152 1.00 . A A . 1 CYS H2 1 1 8 3072 1 1 1 CYS H3 H 0.714 12.710 -4.019 1.00 . A A . 1 CYS H3 1 1 8 3073 1 1 1 CYS HA H 0.136 10.644 -2.894 1.00 . A A . 1 CYS HA 1 1 8 3074 1 1 1 CYS HB2 H -1.402 11.807 -1.655 1.00 . A A . 1 CYS HB2 1 1 8 3075 1 1 1 CYS HB3 H -1.109 13.098 -2.767 1.00 . A A . 1 CYS HB3 1 1 8 3076 1 1 1 CYS N N 0.158 11.987 -4.518 1.00 . A A . 1 CYS N 1 1 8 3077 1 1 1 CYS O O -2.320 10.458 -5.033 1.00 . A A . 1 CYS O 1 1 8 3078 1 1 1 CYS SG S -3.275 12.213 -3.041 1.00 . A A . 1 CYS SG 1 1 8 3079 1 1 2 ARG C C -2.996 7.468 -4.578 1.00 . A A . 2 ARG C 1 1 8 3080 1 1 2 ARG CA C -1.577 7.780 -5.066 1.00 . A A . 2 ARG CA 1 1 8 3081 1 1 2 ARG CB C -0.692 6.506 -4.955 1.00 . A A . 2 ARG CB 1 1 8 3082 1 1 2 ARG CD C -0.783 5.736 -7.372 1.00 . A A . 2 ARG CD 1 1 8 3083 1 1 2 ARG CG C 0.120 6.305 -6.254 1.00 . A A . 2 ARG CG 1 1 8 3084 1 1 2 ARG CZ C -0.596 7.080 -9.389 1.00 . A A . 2 ARG CZ 1 1 8 3085 1 1 2 ARG H H -0.143 8.689 -3.736 1.00 . A A . 2 ARG H 1 1 8 3086 1 1 2 ARG HA H -1.648 8.094 -6.097 1.00 . A A . 2 ARG HA 1 1 8 3087 1 1 2 ARG HB2 H -0.002 6.613 -4.134 1.00 . A A . 2 ARG HB2 1 1 8 3088 1 1 2 ARG HB3 H -1.300 5.632 -4.765 1.00 . A A . 2 ARG HB3 1 1 8 3089 1 1 2 ARG HD2 H -0.236 5.010 -7.956 1.00 . A A . 2 ARG HD2 1 1 8 3090 1 1 2 ARG HD3 H -1.665 5.263 -6.966 1.00 . A A . 2 ARG HD3 1 1 8 3091 1 1 2 ARG HE H -1.965 7.431 -7.996 1.00 . A A . 2 ARG HE 1 1 8 3092 1 1 2 ARG HG2 H 0.555 7.246 -6.562 1.00 . A A . 2 ARG HG2 1 1 8 3093 1 1 2 ARG HG3 H 0.926 5.610 -6.071 1.00 . A A . 2 ARG HG3 1 1 8 3094 1 1 2 ARG HH11 H 1.144 7.502 -8.494 1.00 . A A . 2 ARG HH11 1 1 8 3095 1 1 2 ARG HH12 H 1.153 7.591 -10.223 1.00 . A A . 2 ARG HH12 1 1 8 3096 1 1 2 ARG HH21 H -2.227 6.694 -10.480 1.00 . A A . 2 ARG HH21 1 1 8 3097 1 1 2 ARG HH22 H -0.809 7.121 -11.379 1.00 . A A . 2 ARG HH22 1 1 8 3098 1 1 2 ARG N N -0.920 8.890 -4.299 1.00 . A A . 2 ARG N 1 1 8 3099 1 1 2 ARG NE N -1.215 6.858 -8.260 1.00 . A A . 2 ARG NE 1 1 8 3100 1 1 2 ARG NH1 N 0.666 7.417 -9.367 1.00 . A A . 2 ARG NH1 1 1 8 3101 1 1 2 ARG NH2 N -1.262 6.955 -10.503 1.00 . A A . 2 ARG NH2 1 1 8 3102 1 1 2 ARG O O -3.339 7.718 -3.441 1.00 . A A . 2 ARG O 1 1 8 3103 1 1 3 ILE C C -5.259 5.220 -4.377 1.00 . A A . 3 ILE C 1 1 8 3104 1 1 3 ILE CA C -5.192 6.562 -5.141 1.00 . A A . 3 ILE CA 1 1 8 3105 1 1 3 ILE CB C -6.023 6.454 -6.458 1.00 . A A . 3 ILE CB 1 1 8 3106 1 1 3 ILE CD1 C -4.497 6.946 -8.511 1.00 . A A . 3 ILE CD1 1 1 8 3107 1 1 3 ILE CG1 C -5.185 5.858 -7.650 1.00 . A A . 3 ILE CG1 1 1 8 3108 1 1 3 ILE CG2 C -6.646 7.831 -6.801 1.00 . A A . 3 ILE CG2 1 1 8 3109 1 1 3 ILE H H -3.439 6.742 -6.370 1.00 . A A . 3 ILE H 1 1 8 3110 1 1 3 ILE HA H -5.597 7.347 -4.518 1.00 . A A . 3 ILE HA 1 1 8 3111 1 1 3 ILE HB H -6.836 5.769 -6.280 1.00 . A A . 3 ILE HB 1 1 8 3112 1 1 3 ILE HD11 H -4.043 7.707 -7.893 1.00 . A A . 3 ILE HD11 1 1 8 3113 1 1 3 ILE HD12 H -3.728 6.495 -9.121 1.00 . A A . 3 ILE HD12 1 1 8 3114 1 1 3 ILE HD13 H -5.219 7.413 -9.165 1.00 . A A . 3 ILE HD13 1 1 8 3115 1 1 3 ILE HG12 H -4.428 5.193 -7.265 1.00 . A A . 3 ILE HG12 1 1 8 3116 1 1 3 ILE HG13 H -5.842 5.281 -8.283 1.00 . A A . 3 ILE HG13 1 1 8 3117 1 1 3 ILE HG21 H -5.892 8.604 -6.802 1.00 . A A . 3 ILE HG21 1 1 8 3118 1 1 3 ILE HG22 H -7.116 7.797 -7.774 1.00 . A A . 3 ILE HG22 1 1 8 3119 1 1 3 ILE HG23 H -7.398 8.084 -6.067 1.00 . A A . 3 ILE HG23 1 1 8 3120 1 1 3 ILE N N -3.780 6.921 -5.470 1.00 . A A . 3 ILE N 1 1 8 3121 1 1 3 ILE O O -4.358 4.413 -4.508 1.00 . A A . 3 ILE O 1 1 8 3122 1 1 4 HYP C C -6.520 2.508 -3.961 1.00 . A A . 4 HYP C 1 1 8 3123 1 1 4 HYP CA C -6.621 3.692 -2.988 1.00 . A A . 4 HYP CA 1 1 8 3124 1 1 4 HYP CB C -8.032 3.828 -2.407 1.00 . A A . 4 HYP CB 1 1 8 3125 1 1 4 HYP CD C -7.309 6.063 -3.253 1.00 . A A . 4 HYP CD 1 1 8 3126 1 1 4 HYP CG C -8.291 5.351 -2.297 1.00 . A A . 4 HYP CG 1 1 8 3127 1 1 4 HYP HA H -5.932 3.531 -2.174 1.00 . A A . 4 HYP HA 1 1 8 3128 1 1 4 HYP HB2 H -8.098 3.342 -1.447 1.00 . A A . 4 HYP HB2 1 1 8 3129 1 1 4 HYP HB3 H -8.760 3.386 -3.071 1.00 . A A . 4 HYP HB3 1 1 8 3130 1 1 4 HYP HD1 H -6.962 5.348 -0.874 1.00 . A A . 4 HYP HD1 1 1 8 3131 1 1 4 HYP HD22 H -6.812 6.895 -2.773 1.00 . A A . 4 HYP HD22 1 1 8 3132 1 1 4 HYP HD23 H -7.817 6.398 -4.146 1.00 . A A . 4 HYP HD23 1 1 8 3133 1 1 4 HYP HG H -9.324 5.632 -2.438 1.00 . A A . 4 HYP HG 1 1 8 3134 1 1 4 HYP N N -6.311 5.014 -3.607 1.00 . A A . 4 HYP N 1 1 8 3135 1 1 4 HYP O O -6.603 2.680 -5.161 1.00 . A A . 4 HYP O 1 1 8 3136 1 1 4 HYP OD1 O -7.849 5.696 -0.990 1.00 . A A . 4 HYP OD1 1 1 8 3137 1 1 5 ASN C C -5.145 -0.012 -5.203 1.00 . A A . 5 ASN C 1 1 8 3138 1 1 5 ASN CA C -6.208 0.038 -4.090 1.00 . A A . 5 ASN CA 1 1 8 3139 1 1 5 ASN CB C -7.617 -0.352 -4.665 1.00 . A A . 5 ASN CB 1 1 8 3140 1 1 5 ASN CG C -7.983 0.399 -5.956 1.00 . A A . 5 ASN CG 1 1 8 3141 1 1 5 ASN H H -6.284 1.343 -2.395 1.00 . A A . 5 ASN H 1 1 8 3142 1 1 5 ASN HA H -5.940 -0.707 -3.356 1.00 . A A . 5 ASN HA 1 1 8 3143 1 1 5 ASN HB2 H -7.636 -1.411 -4.874 1.00 . A A . 5 ASN HB2 1 1 8 3144 1 1 5 ASN HB3 H -8.375 -0.143 -3.923 1.00 . A A . 5 ASN HB3 1 1 8 3145 1 1 5 ASN HD21 H -6.713 -0.626 -7.087 1.00 . A A . 5 ASN HD21 1 1 8 3146 1 1 5 ASN HD22 H -7.614 0.559 -7.901 1.00 . A A . 5 ASN HD22 1 1 8 3147 1 1 5 ASN N N -6.339 1.350 -3.372 1.00 . A A . 5 ASN N 1 1 8 3148 1 1 5 ASN ND2 N -7.387 0.085 -7.074 1.00 . A A . 5 ASN ND2 1 1 8 3149 1 1 5 ASN O O -4.999 -1.031 -5.850 1.00 . A A . 5 ASN O 1 1 8 3150 1 1 5 ASN OD1 O -8.818 1.281 -5.957 1.00 . A A . 5 ASN OD1 1 1 8 3151 1 1 6 GLN C C -2.131 0.401 -5.914 1.00 . A A . 6 GLN C 1 1 8 3152 1 1 6 GLN CA C -3.378 1.097 -6.466 1.00 . A A . 6 GLN CA 1 1 8 3153 1 1 6 GLN CB C -3.062 2.559 -6.820 1.00 . A A . 6 GLN CB 1 1 8 3154 1 1 6 GLN CD C -2.958 3.515 -9.165 1.00 . A A . 6 GLN CD 1 1 8 3155 1 1 6 GLN CG C -2.255 2.604 -8.147 1.00 . A A . 6 GLN CG 1 1 8 3156 1 1 6 GLN H H -4.582 1.867 -4.858 1.00 . A A . 6 GLN H 1 1 8 3157 1 1 6 GLN HA H -3.737 0.563 -7.334 1.00 . A A . 6 GLN HA 1 1 8 3158 1 1 6 GLN HB2 H -3.991 3.101 -6.912 1.00 . A A . 6 GLN HB2 1 1 8 3159 1 1 6 GLN HB3 H -2.484 3.014 -6.029 1.00 . A A . 6 GLN HB3 1 1 8 3160 1 1 6 GLN HE21 H -4.686 2.547 -9.035 1.00 . A A . 6 GLN HE21 1 1 8 3161 1 1 6 GLN HE22 H -4.670 3.863 -10.109 1.00 . A A . 6 GLN HE22 1 1 8 3162 1 1 6 GLN HG2 H -1.263 2.986 -7.961 1.00 . A A . 6 GLN HG2 1 1 8 3163 1 1 6 GLN HG3 H -2.162 1.621 -8.586 1.00 . A A . 6 GLN HG3 1 1 8 3164 1 1 6 GLN N N -4.430 1.069 -5.405 1.00 . A A . 6 GLN N 1 1 8 3165 1 1 6 GLN NE2 N -4.208 3.290 -9.461 1.00 . A A . 6 GLN NE2 1 1 8 3166 1 1 6 GLN O O -1.723 0.678 -4.802 1.00 . A A . 6 GLN O 1 1 8 3167 1 1 6 GLN OE1 O -2.376 4.438 -9.698 1.00 . A A . 6 GLN OE1 1 1 8 3168 1 1 7 LYS C C 0.750 -0.299 -5.688 1.00 . A A . 7 LYS C 1 1 8 3169 1 1 7 LYS CA C -0.345 -1.222 -6.266 1.00 . A A . 7 LYS CA 1 1 8 3170 1 1 7 LYS CB C 0.175 -2.043 -7.492 1.00 . A A . 7 LYS CB 1 1 8 3171 1 1 7 LYS CD C 2.454 -1.287 -8.269 1.00 . A A . 7 LYS CD 1 1 8 3172 1 1 7 LYS CE C 3.180 -0.142 -8.988 1.00 . A A . 7 LYS CE 1 1 8 3173 1 1 7 LYS CG C 0.930 -1.189 -8.540 1.00 . A A . 7 LYS CG 1 1 8 3174 1 1 7 LYS H H -1.945 -0.648 -7.592 1.00 . A A . 7 LYS H 1 1 8 3175 1 1 7 LYS HA H -0.641 -1.928 -5.509 1.00 . A A . 7 LYS HA 1 1 8 3176 1 1 7 LYS HB2 H 0.815 -2.837 -7.131 1.00 . A A . 7 LYS HB2 1 1 8 3177 1 1 7 LYS HB3 H -0.671 -2.508 -7.977 1.00 . A A . 7 LYS HB3 1 1 8 3178 1 1 7 LYS HD2 H 2.657 -1.230 -7.209 1.00 . A A . 7 LYS HD2 1 1 8 3179 1 1 7 LYS HD3 H 2.821 -2.236 -8.627 1.00 . A A . 7 LYS HD3 1 1 8 3180 1 1 7 LYS HE2 H 3.039 -0.219 -10.056 1.00 . A A . 7 LYS HE2 1 1 8 3181 1 1 7 LYS HE3 H 2.807 0.814 -8.651 1.00 . A A . 7 LYS HE3 1 1 8 3182 1 1 7 LYS HG2 H 0.725 -1.581 -9.525 1.00 . A A . 7 LYS HG2 1 1 8 3183 1 1 7 LYS HG3 H 0.590 -0.164 -8.512 1.00 . A A . 7 LYS HG3 1 1 8 3184 1 1 7 LYS HZ1 H 4.799 -0.804 -7.859 1.00 . A A . 7 LYS HZ1 1 1 8 3185 1 1 7 LYS HZ2 H 5.137 -0.618 -9.512 1.00 . A A . 7 LYS HZ2 1 1 8 3186 1 1 7 LYS HZ3 H 5.002 0.748 -8.514 1.00 . A A . 7 LYS HZ3 1 1 8 3187 1 1 7 LYS N N -1.565 -0.478 -6.705 1.00 . A A . 7 LYS N 1 1 8 3188 1 1 7 LYS NZ N 4.640 -0.209 -8.696 1.00 . A A . 7 LYS NZ 1 1 8 3189 1 1 7 LYS O O 1.276 0.579 -6.346 1.00 . A A . 7 LYS O 1 1 8 3190 1 1 8 CYS C C 2.850 -0.696 -2.756 1.00 . A A . 8 CYS C 1 1 8 3191 1 1 8 CYS CA C 2.067 0.237 -3.685 1.00 . A A . 8 CYS CA 1 1 8 3192 1 1 8 CYS CB C 1.361 1.334 -2.883 1.00 . A A . 8 CYS CB 1 1 8 3193 1 1 8 CYS H H 0.550 -1.254 -3.975 1.00 . A A . 8 CYS H 1 1 8 3194 1 1 8 CYS HA H 2.762 0.680 -4.384 1.00 . A A . 8 CYS HA 1 1 8 3195 1 1 8 CYS HB2 H 2.108 1.895 -2.341 1.00 . A A . 8 CYS HB2 1 1 8 3196 1 1 8 CYS HB3 H 0.911 2.010 -3.596 1.00 . A A . 8 CYS HB3 1 1 8 3197 1 1 8 CYS N N 1.033 -0.539 -4.434 1.00 . A A . 8 CYS N 1 1 8 3198 1 1 8 CYS O O 2.523 -1.860 -2.622 1.00 . A A . 8 CYS O 1 1 8 3199 1 1 8 CYS SG S 0.066 0.886 -1.701 1.00 . A A . 8 CYS SG 1 1 8 3200 1 1 9 PHE C C 4.530 -0.421 0.224 1.00 . A A . 9 PHE C 1 1 8 3201 1 1 9 PHE CA C 4.723 -0.934 -1.204 1.00 . A A . 9 PHE CA 1 1 8 3202 1 1 9 PHE CB C 6.188 -0.777 -1.633 1.00 . A A . 9 PHE CB 1 1 8 3203 1 1 9 PHE CD1 C 6.067 -1.003 -4.160 1.00 . A A . 9 PHE CD1 1 1 8 3204 1 1 9 PHE CD2 C 6.967 -2.826 -2.915 1.00 . A A . 9 PHE CD2 1 1 8 3205 1 1 9 PHE CE1 C 6.268 -1.703 -5.332 1.00 . A A . 9 PHE CE1 1 1 8 3206 1 1 9 PHE CE2 C 7.168 -3.526 -4.086 1.00 . A A . 9 PHE CE2 1 1 8 3207 1 1 9 PHE CG C 6.414 -1.559 -2.940 1.00 . A A . 9 PHE CG 1 1 8 3208 1 1 9 PHE CZ C 6.819 -2.965 -5.296 1.00 . A A . 9 PHE CZ 1 1 8 3209 1 1 9 PHE H H 4.069 0.799 -2.298 1.00 . A A . 9 PHE H 1 1 8 3210 1 1 9 PHE HA H 4.444 -1.979 -1.238 1.00 . A A . 9 PHE HA 1 1 8 3211 1 1 9 PHE HB2 H 6.415 0.264 -1.803 1.00 . A A . 9 PHE HB2 1 1 8 3212 1 1 9 PHE HB3 H 6.851 -1.160 -0.871 1.00 . A A . 9 PHE HB3 1 1 8 3213 1 1 9 PHE HD1 H 5.634 -0.013 -4.200 1.00 . A A . 9 PHE HD1 1 1 8 3214 1 1 9 PHE HD2 H 7.245 -3.274 -1.972 1.00 . A A . 9 PHE HD2 1 1 8 3215 1 1 9 PHE HE1 H 5.994 -1.261 -6.279 1.00 . A A . 9 PHE HE1 1 1 8 3216 1 1 9 PHE HE2 H 7.601 -4.516 -4.056 1.00 . A A . 9 PHE HE2 1 1 8 3217 1 1 9 PHE HZ H 6.977 -3.513 -6.212 1.00 . A A . 9 PHE HZ 1 1 8 3218 1 1 9 PHE N N 3.866 -0.147 -2.141 1.00 . A A . 9 PHE N 1 1 8 3219 1 1 9 PHE O O 4.485 0.773 0.450 1.00 . A A . 9 PHE O 1 1 8 3220 1 1 10 GLN C C 5.389 -0.111 3.047 1.00 . A A . 10 GLN C 1 1 8 3221 1 1 10 GLN CA C 4.230 -1.003 2.581 1.00 . A A . 10 GLN CA 1 1 8 3222 1 1 10 GLN CB C 4.199 -2.301 3.421 1.00 . A A . 10 GLN CB 1 1 8 3223 1 1 10 GLN CD C 2.809 -3.749 1.904 1.00 . A A . 10 GLN CD 1 1 8 3224 1 1 10 GLN CG C 2.842 -3.021 3.251 1.00 . A A . 10 GLN CG 1 1 8 3225 1 1 10 GLN H H 4.454 -2.290 0.895 1.00 . A A . 10 GLN H 1 1 8 3226 1 1 10 GLN HA H 3.302 -0.469 2.665 1.00 . A A . 10 GLN HA 1 1 8 3227 1 1 10 GLN HB2 H 5.006 -2.953 3.117 1.00 . A A . 10 GLN HB2 1 1 8 3228 1 1 10 GLN HB3 H 4.339 -2.058 4.465 1.00 . A A . 10 GLN HB3 1 1 8 3229 1 1 10 GLN HE21 H 3.769 -5.344 2.596 1.00 . A A . 10 GLN HE21 1 1 8 3230 1 1 10 GLN HE22 H 3.335 -5.412 0.957 1.00 . A A . 10 GLN HE22 1 1 8 3231 1 1 10 GLN HG2 H 2.709 -3.746 4.041 1.00 . A A . 10 GLN HG2 1 1 8 3232 1 1 10 GLN HG3 H 2.025 -2.314 3.288 1.00 . A A . 10 GLN HG3 1 1 8 3233 1 1 10 GLN N N 4.418 -1.348 1.144 1.00 . A A . 10 GLN N 1 1 8 3234 1 1 10 GLN NE2 N 3.349 -4.934 1.811 1.00 . A A . 10 GLN NE2 1 1 8 3235 1 1 10 GLN O O 5.203 0.817 3.811 1.00 . A A . 10 GLN O 1 1 8 3236 1 1 10 GLN OE1 O 2.294 -3.245 0.927 1.00 . A A . 10 GLN OE1 1 1 8 3237 1 1 11 HIS C C 7.752 1.709 2.264 1.00 . A A . 11 HIS C 1 1 8 3238 1 1 11 HIS CA C 7.795 0.306 2.886 1.00 . A A . 11 HIS CA 1 1 8 3239 1 1 11 HIS CB C 8.996 -0.482 2.345 1.00 . A A . 11 HIS CB 1 1 8 3240 1 1 11 HIS CD2 C 10.774 -0.186 4.276 1.00 . A A . 11 HIS CD2 1 1 8 3241 1 1 11 HIS CE1 C 12.085 1.083 3.291 1.00 . A A . 11 HIS CE1 1 1 8 3242 1 1 11 HIS CG C 10.269 0.042 3.009 1.00 . A A . 11 HIS CG 1 1 8 3243 1 1 11 HIS H H 6.607 -1.209 1.936 1.00 . A A . 11 HIS H 1 1 8 3244 1 1 11 HIS HA H 7.858 0.400 3.960 1.00 . A A . 11 HIS HA 1 1 8 3245 1 1 11 HIS HB2 H 8.894 -1.531 2.578 1.00 . A A . 11 HIS HB2 1 1 8 3246 1 1 11 HIS HB3 H 9.082 -0.366 1.274 1.00 . A A . 11 HIS HB3 1 1 8 3247 1 1 11 HIS HD1 H 11.063 1.189 1.546 1.00 . A A . 11 HIS HD1 1 1 8 3248 1 1 11 HIS HD2 H 10.305 -0.811 5.022 1.00 . A A . 11 HIS HD2 1 1 8 3249 1 1 11 HIS HE1 H 12.928 1.721 3.071 1.00 . A A . 11 HIS HE1 1 1 8 3250 1 1 11 HIS N N 6.552 -0.445 2.548 1.00 . A A . 11 HIS N 1 1 8 3251 1 1 11 HIS ND1 N 11.127 0.834 2.456 1.00 . A A . 11 HIS ND1 1 1 8 3252 1 1 11 HIS NE2 N 11.907 0.470 4.436 1.00 . A A . 11 HIS NE2 1 1 8 3253 1 1 11 HIS O O 8.073 2.686 2.913 1.00 . A A . 11 HIS O 1 1 8 3254 1 1 12 LEU C C 5.774 3.313 -0.001 1.00 . A A . 12 LEU C 1 1 8 3255 1 1 12 LEU CA C 7.252 3.030 0.265 1.00 . A A . 12 LEU CA 1 1 8 3256 1 1 12 LEU CB C 8.049 2.881 -1.054 1.00 . A A . 12 LEU CB 1 1 8 3257 1 1 12 LEU CD1 C 10.297 2.127 -1.920 1.00 . A A . 12 LEU CD1 1 1 8 3258 1 1 12 LEU CD2 C 10.137 4.230 -0.548 1.00 . A A . 12 LEU CD2 1 1 8 3259 1 1 12 LEU CG C 9.571 2.804 -0.742 1.00 . A A . 12 LEU CG 1 1 8 3260 1 1 12 LEU H H 7.111 0.906 0.572 1.00 . A A . 12 LEU H 1 1 8 3261 1 1 12 LEU HA H 7.640 3.846 0.854 1.00 . A A . 12 LEU HA 1 1 8 3262 1 1 12 LEU HB2 H 7.733 1.982 -1.562 1.00 . A A . 12 LEU HB2 1 1 8 3263 1 1 12 LEU HB3 H 7.847 3.723 -1.702 1.00 . A A . 12 LEU HB3 1 1 8 3264 1 1 12 LEU HD11 H 10.141 2.687 -2.830 1.00 . A A . 12 LEU HD11 1 1 8 3265 1 1 12 LEU HD12 H 11.357 2.072 -1.722 1.00 . A A . 12 LEU HD12 1 1 8 3266 1 1 12 LEU HD13 H 9.922 1.124 -2.061 1.00 . A A . 12 LEU HD13 1 1 8 3267 1 1 12 LEU HD21 H 9.853 4.863 -1.376 1.00 . A A . 12 LEU HD21 1 1 8 3268 1 1 12 LEU HD22 H 9.756 4.662 0.366 1.00 . A A . 12 LEU HD22 1 1 8 3269 1 1 12 LEU HD23 H 11.215 4.200 -0.490 1.00 . A A . 12 LEU HD23 1 1 8 3270 1 1 12 LEU HG H 9.742 2.226 0.155 1.00 . A A . 12 LEU HG 1 1 8 3271 1 1 12 LEU N N 7.352 1.744 1.018 1.00 . A A . 12 LEU N 1 1 8 3272 1 1 12 LEU O O 5.293 3.236 -1.116 1.00 . A A . 12 LEU O 1 1 8 3273 1 1 13 ASP C C 3.477 5.302 0.302 1.00 . A A . 13 ASP C 1 1 8 3274 1 1 13 ASP CA C 3.645 3.945 0.994 1.00 . A A . 13 ASP CA 1 1 8 3275 1 1 13 ASP CB C 3.056 3.977 2.426 1.00 . A A . 13 ASP CB 1 1 8 3276 1 1 13 ASP CG C 1.587 3.514 2.385 1.00 . A A . 13 ASP CG 1 1 8 3277 1 1 13 ASP H H 5.556 3.673 1.942 1.00 . A A . 13 ASP H 1 1 8 3278 1 1 13 ASP HA H 3.161 3.179 0.404 1.00 . A A . 13 ASP HA 1 1 8 3279 1 1 13 ASP HB2 H 3.621 3.311 3.064 1.00 . A A . 13 ASP HB2 1 1 8 3280 1 1 13 ASP HB3 H 3.092 4.969 2.853 1.00 . A A . 13 ASP HB3 1 1 8 3281 1 1 13 ASP N N 5.099 3.636 1.076 1.00 . A A . 13 ASP N 1 1 8 3282 1 1 13 ASP O O 3.590 6.355 0.900 1.00 . A A . 13 ASP O 1 1 8 3283 1 1 13 ASP OD1 O 0.845 4.079 1.594 1.00 . A A . 13 ASP OD1 1 1 8 3284 1 1 13 ASP OD2 O 1.286 2.616 3.154 1.00 . A A . 13 ASP OD2 1 1 8 3285 1 1 14 ASP C C 1.536 6.841 -1.867 1.00 . A A . 14 ASP C 1 1 8 3286 1 1 14 ASP CA C 3.003 6.381 -1.851 1.00 . A A . 14 ASP CA 1 1 8 3287 1 1 14 ASP CB C 3.456 5.985 -3.265 1.00 . A A . 14 ASP CB 1 1 8 3288 1 1 14 ASP CG C 2.912 4.581 -3.614 1.00 . A A . 14 ASP CG 1 1 8 3289 1 1 14 ASP H H 3.138 4.304 -1.365 1.00 . A A . 14 ASP H 1 1 8 3290 1 1 14 ASP HA H 3.615 7.198 -1.494 1.00 . A A . 14 ASP HA 1 1 8 3291 1 1 14 ASP HB2 H 3.084 6.691 -3.987 1.00 . A A . 14 ASP HB2 1 1 8 3292 1 1 14 ASP HB3 H 4.537 5.976 -3.316 1.00 . A A . 14 ASP HB3 1 1 8 3293 1 1 14 ASP N N 3.206 5.196 -0.969 1.00 . A A . 14 ASP N 1 1 8 3294 1 1 14 ASP O O 1.235 7.899 -2.386 1.00 . A A . 14 ASP O 1 1 8 3295 1 1 14 ASP OD1 O 1.723 4.505 -3.881 1.00 . A A . 14 ASP OD1 1 1 8 3296 1 1 14 ASP OD2 O 3.713 3.660 -3.588 1.00 . A A . 14 ASP OD2 1 1 8 3297 1 1 15 CYS C C -1.085 7.684 -0.539 1.00 . A A . 15 CYS C 1 1 8 3298 1 1 15 CYS CA C -0.780 6.364 -1.249 1.00 . A A . 15 CYS CA 1 1 8 3299 1 1 15 CYS CB C -1.486 5.218 -0.543 1.00 . A A . 15 CYS CB 1 1 8 3300 1 1 15 CYS H H 0.980 5.199 -0.892 1.00 . A A . 15 CYS H 1 1 8 3301 1 1 15 CYS HA H -1.150 6.426 -2.260 1.00 . A A . 15 CYS HA 1 1 8 3302 1 1 15 CYS HB2 H -1.334 5.321 0.521 1.00 . A A . 15 CYS HB2 1 1 8 3303 1 1 15 CYS HB3 H -2.543 5.287 -0.737 1.00 . A A . 15 CYS HB3 1 1 8 3304 1 1 15 CYS N N 0.675 6.037 -1.298 1.00 . A A . 15 CYS N 1 1 8 3305 1 1 15 CYS O O -0.325 8.151 0.288 1.00 . A A . 15 CYS O 1 1 8 3306 1 1 15 CYS SG S -0.938 3.559 -1.005 1.00 . A A . 15 CYS SG 1 1 8 3307 1 1 16 CYS C C -3.059 9.245 1.139 1.00 . A A . 16 CYS C 1 1 8 3308 1 1 16 CYS CA C -2.686 9.523 -0.324 1.00 . A A . 16 CYS CA 1 1 8 3309 1 1 16 CYS CB C -3.908 10.010 -1.130 1.00 . A A . 16 CYS CB 1 1 8 3310 1 1 16 CYS H H -2.763 7.780 -1.578 1.00 . A A . 16 CYS H 1 1 8 3311 1 1 16 CYS HA H -1.881 10.244 -0.353 1.00 . A A . 16 CYS HA 1 1 8 3312 1 1 16 CYS HB2 H -3.832 9.635 -2.137 1.00 . A A . 16 CYS HB2 1 1 8 3313 1 1 16 CYS HB3 H -4.810 9.596 -0.703 1.00 . A A . 16 CYS HB3 1 1 8 3314 1 1 16 CYS N N -2.216 8.232 -0.906 1.00 . A A . 16 CYS N 1 1 8 3315 1 1 16 CYS O O -2.874 10.073 2.009 1.00 . A A . 16 CYS O 1 1 8 3316 1 1 16 CYS SG S -4.126 11.800 -1.255 1.00 . A A . 16 CYS SG 1 1 8 3317 1 1 17 SER C C -2.757 7.134 3.468 1.00 . A A . 17 SER C 1 1 8 3318 1 1 17 SER CA C -4.002 7.584 2.682 1.00 . A A . 17 SER CA 1 1 8 3319 1 1 17 SER CB C -4.968 6.414 2.483 1.00 . A A . 17 SER CB 1 1 8 3320 1 1 17 SER H H -3.702 7.447 0.583 1.00 . A A . 17 SER H 1 1 8 3321 1 1 17 SER HA H -4.489 8.390 3.213 1.00 . A A . 17 SER HA 1 1 8 3322 1 1 17 SER HB2 H -5.326 6.040 3.424 1.00 . A A . 17 SER HB2 1 1 8 3323 1 1 17 SER HB3 H -5.799 6.679 1.846 1.00 . A A . 17 SER HB3 1 1 8 3324 1 1 17 SER HG H -3.783 5.796 1.064 1.00 . A A . 17 SER HG 1 1 8 3325 1 1 17 SER N N -3.579 8.059 1.337 1.00 . A A . 17 SER N 1 1 8 3326 1 1 17 SER O O -2.823 6.933 4.666 1.00 . A A . 17 SER O 1 1 8 3327 1 1 17 SER OG O -4.184 5.410 1.846 1.00 . A A . 17 SER OG 1 1 8 3328 1 1 18 ARG C C -0.530 5.171 3.982 1.00 . A A . 18 ARG C 1 1 8 3329 1 1 18 ARG CA C -0.358 6.556 3.333 1.00 . A A . 18 ARG CA 1 1 8 3330 1 1 18 ARG CB C 0.110 7.592 4.392 1.00 . A A . 18 ARG CB 1 1 8 3331 1 1 18 ARG CD C 0.621 10.023 4.822 1.00 . A A . 18 ARG CD 1 1 8 3332 1 1 18 ARG CG C 0.142 9.007 3.769 1.00 . A A . 18 ARG CG 1 1 8 3333 1 1 18 ARG CZ C -0.381 9.797 7.025 1.00 . A A . 18 ARG CZ 1 1 8 3334 1 1 18 ARG H H -1.710 7.176 1.785 1.00 . A A . 18 ARG H 1 1 8 3335 1 1 18 ARG HA H 0.368 6.482 2.538 1.00 . A A . 18 ARG HA 1 1 8 3336 1 1 18 ARG HB2 H -0.551 7.575 5.244 1.00 . A A . 18 ARG HB2 1 1 8 3337 1 1 18 ARG HB3 H 1.102 7.331 4.729 1.00 . A A . 18 ARG HB3 1 1 8 3338 1 1 18 ARG HD2 H 1.501 9.663 5.336 1.00 . A A . 18 ARG HD2 1 1 8 3339 1 1 18 ARG HD3 H 0.855 10.965 4.346 1.00 . A A . 18 ARG HD3 1 1 8 3340 1 1 18 ARG HE H -1.288 10.737 5.530 1.00 . A A . 18 ARG HE 1 1 8 3341 1 1 18 ARG HG2 H 0.818 9.018 2.926 1.00 . A A . 18 ARG HG2 1 1 8 3342 1 1 18 ARG HG3 H -0.842 9.287 3.424 1.00 . A A . 18 ARG HG3 1 1 8 3343 1 1 18 ARG HH11 H 0.991 11.160 7.542 1.00 . A A . 18 ARG HH11 1 1 8 3344 1 1 18 ARG HH12 H 0.535 10.045 8.787 1.00 . A A . 18 ARG HH12 1 1 8 3345 1 1 18 ARG HH21 H -1.735 8.355 6.726 1.00 . A A . 18 ARG HH21 1 1 8 3346 1 1 18 ARG HH22 H -1.046 8.417 8.313 1.00 . A A . 18 ARG HH22 1 1 8 3347 1 1 18 ARG N N -1.667 6.991 2.747 1.00 . A A . 18 ARG N 1 1 8 3348 1 1 18 ARG NE N -0.483 10.249 5.804 1.00 . A A . 18 ARG NE 1 1 8 3349 1 1 18 ARG NH1 N 0.446 10.380 7.850 1.00 . A A . 18 ARG NH1 1 1 8 3350 1 1 18 ARG NH2 N -1.111 8.776 7.382 1.00 . A A . 18 ARG NH2 1 1 8 3351 1 1 18 ARG O O 0.163 4.816 4.915 1.00 . A A . 18 ARG O 1 1 8 3352 1 1 19 LYS C C -1.829 2.095 2.734 1.00 . A A . 19 LYS C 1 1 8 3353 1 1 19 LYS CA C -1.796 3.070 3.920 1.00 . A A . 19 LYS CA 1 1 8 3354 1 1 19 LYS CB C -3.159 3.142 4.599 1.00 . A A . 19 LYS CB 1 1 8 3355 1 1 19 LYS CD C -4.358 4.147 6.570 1.00 . A A . 19 LYS CD 1 1 8 3356 1 1 19 LYS CE C -4.213 4.607 8.032 1.00 . A A . 19 LYS CE 1 1 8 3357 1 1 19 LYS CG C -3.007 3.597 6.067 1.00 . A A . 19 LYS CG 1 1 8 3358 1 1 19 LYS H H -1.995 4.779 2.689 1.00 . A A . 19 LYS H 1 1 8 3359 1 1 19 LYS HA H -1.043 2.740 4.621 1.00 . A A . 19 LYS HA 1 1 8 3360 1 1 19 LYS HB2 H -3.784 3.842 4.062 1.00 . A A . 19 LYS HB2 1 1 8 3361 1 1 19 LYS HB3 H -3.621 2.175 4.544 1.00 . A A . 19 LYS HB3 1 1 8 3362 1 1 19 LYS HD2 H -4.662 4.985 5.960 1.00 . A A . 19 LYS HD2 1 1 8 3363 1 1 19 LYS HD3 H -5.116 3.379 6.506 1.00 . A A . 19 LYS HD3 1 1 8 3364 1 1 19 LYS HE2 H -3.933 3.777 8.664 1.00 . A A . 19 LYS HE2 1 1 8 3365 1 1 19 LYS HE3 H -3.461 5.379 8.110 1.00 . A A . 19 LYS HE3 1 1 8 3366 1 1 19 LYS HG2 H -2.698 2.760 6.677 1.00 . A A . 19 LYS HG2 1 1 8 3367 1 1 19 LYS HG3 H -2.256 4.372 6.139 1.00 . A A . 19 LYS HG3 1 1 8 3368 1 1 19 LYS HZ1 H -6.295 4.698 8.021 1.00 . A A . 19 LYS HZ1 1 1 8 3369 1 1 19 LYS HZ2 H -5.596 4.981 9.543 1.00 . A A . 19 LYS HZ2 1 1 8 3370 1 1 19 LYS HZ3 H -5.538 6.183 8.346 1.00 . A A . 19 LYS HZ3 1 1 8 3371 1 1 19 LYS N N -1.471 4.437 3.438 1.00 . A A . 19 LYS N 1 1 8 3372 1 1 19 LYS NZ N -5.508 5.159 8.522 1.00 . A A . 19 LYS NZ 1 1 8 3373 1 1 19 LYS O O -2.546 2.318 1.776 1.00 . A A . 19 LYS O 1 1 8 3374 1 1 20 CYS C C -1.269 -1.321 2.485 1.00 . A A . 20 CYS C 1 1 8 3375 1 1 20 CYS CA C -0.957 0.010 1.786 1.00 . A A . 20 CYS CA 1 1 8 3376 1 1 20 CYS CB C 0.459 0.040 1.216 1.00 . A A . 20 CYS CB 1 1 8 3377 1 1 20 CYS H H -0.478 0.932 3.626 1.00 . A A . 20 CYS H 1 1 8 3378 1 1 20 CYS HA H -1.695 0.205 1.023 1.00 . A A . 20 CYS HA 1 1 8 3379 1 1 20 CYS HB2 H 1.160 0.097 2.036 1.00 . A A . 20 CYS HB2 1 1 8 3380 1 1 20 CYS HB3 H 0.636 -0.888 0.711 1.00 . A A . 20 CYS HB3 1 1 8 3381 1 1 20 CYS N N -1.044 1.053 2.840 1.00 . A A . 20 CYS N 1 1 8 3382 1 1 20 CYS O O -0.527 -1.752 3.348 1.00 . A A . 20 CYS O 1 1 8 3383 1 1 20 CYS SG S 0.814 1.416 0.099 1.00 . A A . 20 CYS SG 1 1 8 3384 1 1 21 ASN C C -1.833 -4.398 2.350 1.00 . A A . 21 ASN C 1 1 8 3385 1 1 21 ASN CA C -2.775 -3.235 2.703 1.00 . A A . 21 ASN CA 1 1 8 3386 1 1 21 ASN CB C -4.225 -3.563 2.232 1.00 . A A . 21 ASN CB 1 1 8 3387 1 1 21 ASN CG C -4.390 -3.336 0.722 1.00 . A A . 21 ASN CG 1 1 8 3388 1 1 21 ASN H H -2.907 -1.531 1.386 1.00 . A A . 21 ASN H 1 1 8 3389 1 1 21 ASN HA H -2.781 -3.121 3.777 1.00 . A A . 21 ASN HA 1 1 8 3390 1 1 21 ASN HB2 H -4.473 -4.592 2.451 1.00 . A A . 21 ASN HB2 1 1 8 3391 1 1 21 ASN HB3 H -4.926 -2.929 2.755 1.00 . A A . 21 ASN HB3 1 1 8 3392 1 1 21 ASN HD21 H -2.582 -4.014 0.295 1.00 . A A . 21 ASN HD21 1 1 8 3393 1 1 21 ASN HD22 H -3.498 -3.513 -1.036 1.00 . A A . 21 ASN HD22 1 1 8 3394 1 1 21 ASN N N -2.358 -1.931 2.093 1.00 . A A . 21 ASN N 1 1 8 3395 1 1 21 ASN ND2 N -3.408 -3.647 -0.073 1.00 . A A . 21 ASN ND2 1 1 8 3396 1 1 21 ASN O O -0.881 -4.239 1.610 1.00 . A A . 21 ASN O 1 1 8 3397 1 1 21 ASN OD1 O -5.411 -2.875 0.253 1.00 . A A . 21 ASN OD1 1 1 8 3398 1 1 22 ARG C C -1.339 -7.240 1.235 1.00 . A A . 22 ARG C 1 1 8 3399 1 1 22 ARG CA C -1.376 -6.785 2.704 1.00 . A A . 22 ARG CA 1 1 8 3400 1 1 22 ARG CB C -2.002 -7.877 3.593 1.00 . A A . 22 ARG CB 1 1 8 3401 1 1 22 ARG CD C -3.587 -9.557 2.540 1.00 . A A . 22 ARG CD 1 1 8 3402 1 1 22 ARG CG C -3.479 -8.163 3.183 1.00 . A A . 22 ARG CG 1 1 8 3403 1 1 22 ARG CZ C -2.504 -11.581 3.324 1.00 . A A . 22 ARG CZ 1 1 8 3404 1 1 22 ARG H H -2.930 -5.585 3.496 1.00 . A A . 22 ARG H 1 1 8 3405 1 1 22 ARG HA H -0.375 -6.590 3.040 1.00 . A A . 22 ARG HA 1 1 8 3406 1 1 22 ARG HB2 H -1.403 -8.770 3.524 1.00 . A A . 22 ARG HB2 1 1 8 3407 1 1 22 ARG HB3 H -1.982 -7.545 4.620 1.00 . A A . 22 ARG HB3 1 1 8 3408 1 1 22 ARG HD2 H -4.587 -9.720 2.174 1.00 . A A . 22 ARG HD2 1 1 8 3409 1 1 22 ARG HD3 H -2.887 -9.661 1.724 1.00 . A A . 22 ARG HD3 1 1 8 3410 1 1 22 ARG HE H -3.710 -10.503 4.475 1.00 . A A . 22 ARG HE 1 1 8 3411 1 1 22 ARG HG2 H -4.107 -8.126 4.061 1.00 . A A . 22 ARG HG2 1 1 8 3412 1 1 22 ARG HG3 H -3.838 -7.423 2.482 1.00 . A A . 22 ARG HG3 1 1 8 3413 1 1 22 ARG HH11 H -3.924 -12.601 2.350 1.00 . A A . 22 ARG HH11 1 1 8 3414 1 1 22 ARG HH12 H -2.375 -13.373 2.441 1.00 . A A . 22 ARG HH12 1 1 8 3415 1 1 22 ARG HH21 H -0.951 -10.729 4.251 1.00 . A A . 22 ARG HH21 1 1 8 3416 1 1 22 ARG HH22 H -0.643 -12.281 3.548 1.00 . A A . 22 ARG HH22 1 1 8 3417 1 1 22 ARG N N -2.154 -5.535 2.912 1.00 . A A . 22 ARG N 1 1 8 3418 1 1 22 ARG NE N -3.301 -10.581 3.589 1.00 . A A . 22 ARG NE 1 1 8 3419 1 1 22 ARG NH1 N -2.970 -12.598 2.652 1.00 . A A . 22 ARG NH1 1 1 8 3420 1 1 22 ARG NH2 N -1.270 -11.527 3.740 1.00 . A A . 22 ARG NH2 1 1 8 3421 1 1 22 ARG O O -0.547 -8.092 0.878 1.00 . A A . 22 ARG O 1 1 8 3422 1 1 23 PHE C C -1.297 -6.100 -1.798 1.00 . A A . 23 PHE C 1 1 8 3423 1 1 23 PHE CA C -2.260 -7.005 -1.017 1.00 . A A . 23 PHE CA 1 1 8 3424 1 1 23 PHE CB C -3.700 -6.791 -1.488 1.00 . A A . 23 PHE CB 1 1 8 3425 1 1 23 PHE CD1 C -4.556 -9.171 -1.301 1.00 . A A . 23 PHE CD1 1 1 8 3426 1 1 23 PHE CD2 C -5.556 -7.507 0.085 1.00 . A A . 23 PHE CD2 1 1 8 3427 1 1 23 PHE CE1 C -5.394 -10.125 -0.764 1.00 . A A . 23 PHE CE1 1 1 8 3428 1 1 23 PHE CE2 C -6.396 -8.460 0.622 1.00 . A A . 23 PHE CE2 1 1 8 3429 1 1 23 PHE CG C -4.630 -7.854 -0.882 1.00 . A A . 23 PHE CG 1 1 8 3430 1 1 23 PHE CZ C -6.315 -9.771 0.199 1.00 . A A . 23 PHE CZ 1 1 8 3431 1 1 23 PHE H H -2.810 -5.971 0.760 1.00 . A A . 23 PHE H 1 1 8 3432 1 1 23 PHE HA H -1.964 -8.035 -1.158 1.00 . A A . 23 PHE HA 1 1 8 3433 1 1 23 PHE HB2 H -4.047 -5.811 -1.197 1.00 . A A . 23 PHE HB2 1 1 8 3434 1 1 23 PHE HB3 H -3.747 -6.864 -2.559 1.00 . A A . 23 PHE HB3 1 1 8 3435 1 1 23 PHE HD1 H -3.837 -9.457 -2.055 1.00 . A A . 23 PHE HD1 1 1 8 3436 1 1 23 PHE HD2 H -5.626 -6.484 0.422 1.00 . A A . 23 PHE HD2 1 1 8 3437 1 1 23 PHE HE1 H -5.329 -11.150 -1.097 1.00 . A A . 23 PHE HE1 1 1 8 3438 1 1 23 PHE HE2 H -7.117 -8.181 1.376 1.00 . A A . 23 PHE HE2 1 1 8 3439 1 1 23 PHE HZ H -6.972 -10.517 0.619 1.00 . A A . 23 PHE HZ 1 1 8 3440 1 1 23 PHE N N -2.193 -6.656 0.430 1.00 . A A . 23 PHE N 1 1 8 3441 1 1 23 PHE O O -1.343 -6.047 -3.013 1.00 . A A . 23 PHE O 1 1 8 3442 1 1 24 ASN C C -0.115 -3.529 -2.629 1.00 . A A . 24 ASN C 1 1 8 3443 1 1 24 ASN CA C 0.558 -4.485 -1.644 1.00 . A A . 24 ASN CA 1 1 8 3444 1 1 24 ASN CB C 1.662 -5.335 -2.324 1.00 . A A . 24 ASN CB 1 1 8 3445 1 1 24 ASN CG C 2.530 -5.946 -1.217 1.00 . A A . 24 ASN CG 1 1 8 3446 1 1 24 ASN H H -0.477 -5.523 -0.086 1.00 . A A . 24 ASN H 1 1 8 3447 1 1 24 ASN HA H 0.973 -3.895 -0.843 1.00 . A A . 24 ASN HA 1 1 8 3448 1 1 24 ASN HB2 H 1.239 -6.131 -2.919 1.00 . A A . 24 ASN HB2 1 1 8 3449 1 1 24 ASN HB3 H 2.286 -4.716 -2.954 1.00 . A A . 24 ASN HB3 1 1 8 3450 1 1 24 ASN HD21 H 1.046 -7.042 -0.480 1.00 . A A . 24 ASN HD21 1 1 8 3451 1 1 24 ASN HD22 H 2.531 -7.194 0.329 1.00 . A A . 24 ASN HD22 1 1 8 3452 1 1 24 ASN N N -0.451 -5.419 -1.059 1.00 . A A . 24 ASN N 1 1 8 3453 1 1 24 ASN ND2 N 1.991 -6.798 -0.387 1.00 . A A . 24 ASN ND2 1 1 8 3454 1 1 24 ASN O O 0.377 -3.245 -3.703 1.00 . A A . 24 ASN O 1 1 8 3455 1 1 24 ASN OD1 O 3.702 -5.650 -1.096 1.00 . A A . 24 ASN OD1 1 1 8 3456 1 1 25 LYS C C -2.487 -1.043 -1.919 1.00 . A A . 25 LYS C 1 1 8 3457 1 1 25 LYS CA C -2.115 -2.132 -2.929 1.00 . A A . 25 LYS CA 1 1 8 3458 1 1 25 LYS CB C -3.345 -2.897 -3.426 1.00 . A A . 25 LYS CB 1 1 8 3459 1 1 25 LYS CD C -3.962 -4.734 -5.074 1.00 . A A . 25 LYS CD 1 1 8 3460 1 1 25 LYS CE C -5.457 -4.346 -5.113 1.00 . A A . 25 LYS CE 1 1 8 3461 1 1 25 LYS CG C -3.069 -3.490 -4.830 1.00 . A A . 25 LYS CG 1 1 8 3462 1 1 25 LYS H H -1.581 -3.377 -1.300 1.00 . A A . 25 LYS H 1 1 8 3463 1 1 25 LYS HA H -1.556 -1.678 -3.732 1.00 . A A . 25 LYS HA 1 1 8 3464 1 1 25 LYS HB2 H -3.568 -3.706 -2.749 1.00 . A A . 25 LYS HB2 1 1 8 3465 1 1 25 LYS HB3 H -4.190 -2.233 -3.444 1.00 . A A . 25 LYS HB3 1 1 8 3466 1 1 25 LYS HD2 H -3.689 -5.185 -6.017 1.00 . A A . 25 LYS HD2 1 1 8 3467 1 1 25 LYS HD3 H -3.795 -5.462 -4.295 1.00 . A A . 25 LYS HD3 1 1 8 3468 1 1 25 LYS HE2 H -5.603 -3.420 -5.649 1.00 . A A . 25 LYS HE2 1 1 8 3469 1 1 25 LYS HE3 H -6.022 -5.123 -5.608 1.00 . A A . 25 LYS HE3 1 1 8 3470 1 1 25 LYS HG2 H -3.256 -2.747 -5.590 1.00 . A A . 25 LYS HG2 1 1 8 3471 1 1 25 LYS HG3 H -2.036 -3.795 -4.904 1.00 . A A . 25 LYS HG3 1 1 8 3472 1 1 25 LYS HZ1 H -5.383 -4.708 -3.063 1.00 . A A . 25 LYS HZ1 1 1 8 3473 1 1 25 LYS HZ2 H -5.998 -3.180 -3.475 1.00 . A A . 25 LYS HZ2 1 1 8 3474 1 1 25 LYS HZ3 H -6.956 -4.566 -3.684 1.00 . A A . 25 LYS HZ3 1 1 8 3475 1 1 25 LYS N N -1.256 -3.081 -2.177 1.00 . A A . 25 LYS N 1 1 8 3476 1 1 25 LYS NZ N -5.989 -4.188 -3.729 1.00 . A A . 25 LYS NZ 1 1 8 3477 1 1 25 LYS O O -2.332 -1.242 -0.729 1.00 . A A . 25 LYS O 1 1 8 3478 1 1 26 CYS C C -4.653 0.869 -0.741 1.00 . A A . 26 CYS C 1 1 8 3479 1 1 26 CYS CA C -3.334 1.165 -1.448 1.00 . A A . 26 CYS CA 1 1 8 3480 1 1 26 CYS CB C -3.421 2.466 -2.239 1.00 . A A . 26 CYS CB 1 1 8 3481 1 1 26 CYS H H -3.093 0.216 -3.353 1.00 . A A . 26 CYS H 1 1 8 3482 1 1 26 CYS HA H -2.559 1.260 -0.703 1.00 . A A . 26 CYS HA 1 1 8 3483 1 1 26 CYS HB2 H -4.019 2.297 -3.117 1.00 . A A . 26 CYS HB2 1 1 8 3484 1 1 26 CYS HB3 H -3.919 3.203 -1.636 1.00 . A A . 26 CYS HB3 1 1 8 3485 1 1 26 CYS N N -2.966 0.077 -2.393 1.00 . A A . 26 CYS N 1 1 8 3486 1 1 26 CYS O O -5.340 -0.086 -1.049 1.00 . A A . 26 CYS O 1 1 8 3487 1 1 26 CYS SG S -1.850 3.187 -2.768 1.00 . A A . 26 CYS SG 1 1 8 3488 1 1 27 VAL C C -6.972 2.934 0.973 1.00 . A A . 27 VAL C 1 1 8 3489 1 1 27 VAL CA C -6.197 1.599 1.011 1.00 . A A . 27 VAL CA 1 1 8 3490 1 1 27 VAL CB C -5.781 1.217 2.457 1.00 . A A . 27 VAL CB 1 1 8 3491 1 1 27 VAL CG1 C -7.027 0.861 3.292 1.00 . A A . 27 VAL CG1 1 1 8 3492 1 1 27 VAL CG2 C -4.852 -0.026 2.421 1.00 . A A . 27 VAL CG2 1 1 8 3493 1 1 27 VAL H H -4.328 2.458 0.385 1.00 . A A . 27 VAL H 1 1 8 3494 1 1 27 VAL HA H -6.823 0.823 0.590 1.00 . A A . 27 VAL HA 1 1 8 3495 1 1 27 VAL HB H -5.255 2.047 2.906 1.00 . A A . 27 VAL HB 1 1 8 3496 1 1 27 VAL HG11 H -7.611 0.106 2.787 1.00 . A A . 27 VAL HG11 1 1 8 3497 1 1 27 VAL HG12 H -6.727 0.476 4.257 1.00 . A A . 27 VAL HG12 1 1 8 3498 1 1 27 VAL HG13 H -7.639 1.736 3.446 1.00 . A A . 27 VAL HG13 1 1 8 3499 1 1 27 VAL HG21 H -5.327 -0.829 1.878 1.00 . A A . 27 VAL HG21 1 1 8 3500 1 1 27 VAL HG22 H -3.919 0.212 1.936 1.00 . A A . 27 VAL HG22 1 1 8 3501 1 1 27 VAL HG23 H -4.636 -0.366 3.423 1.00 . A A . 27 VAL HG23 1 1 8 3502 1 1 27 VAL N N -4.948 1.721 0.203 1.00 . A A . 27 VAL N 1 1 8 3503 1 1 27 VAL O O -8.182 2.862 1.114 1.00 . A A . 27 VAL O 1 1 8 3504 1 1 27 VAL OXT O -6.321 3.952 0.805 1.00 . A A . 27 VAL OXT 1 1 9 3505 1 1 1 CYS C C -1.656 10.516 -4.330 1.00 . A A . 1 CYS C 1 1 9 3506 1 1 1 CYS CA C -0.983 11.592 -3.454 1.00 . A A . 1 CYS CA 1 1 9 3507 1 1 1 CYS CB C -1.997 12.366 -2.559 1.00 . A A . 1 CYS CB 1 1 9 3508 1 1 1 CYS H1 H -1.110 12.953 -5.023 1.00 . A A . 1 CYS H1 1 1 9 3509 1 1 1 CYS H2 H 0.084 13.331 -3.875 1.00 . A A . 1 CYS H2 1 1 9 3510 1 1 1 CYS H3 H 0.340 12.073 -4.987 1.00 . A A . 1 CYS H3 1 1 9 3511 1 1 1 CYS HA H -0.203 11.141 -2.858 1.00 . A A . 1 CYS HA 1 1 9 3512 1 1 1 CYS HB2 H -1.838 12.050 -1.541 1.00 . A A . 1 CYS HB2 1 1 9 3513 1 1 1 CYS HB3 H -1.731 13.413 -2.594 1.00 . A A . 1 CYS HB3 1 1 9 3514 1 1 1 CYS N N -0.371 12.560 -4.406 1.00 . A A . 1 CYS N 1 1 9 3515 1 1 1 CYS O O -2.568 10.804 -5.081 1.00 . A A . 1 CYS O 1 1 9 3516 1 1 1 CYS SG S -3.776 12.288 -2.877 1.00 . A A . 1 CYS SG 1 1 9 3517 1 1 2 ARG C C -3.143 7.738 -4.577 1.00 . A A . 2 ARG C 1 1 9 3518 1 1 2 ARG CA C -1.725 8.148 -4.998 1.00 . A A . 2 ARG CA 1 1 9 3519 1 1 2 ARG CB C -0.757 6.944 -4.839 1.00 . A A . 2 ARG CB 1 1 9 3520 1 1 2 ARG CD C -0.594 5.252 -6.716 1.00 . A A . 2 ARG CD 1 1 9 3521 1 1 2 ARG CG C -0.054 6.592 -6.178 1.00 . A A . 2 ARG CG 1 1 9 3522 1 1 2 ARG CZ C 1.333 3.773 -6.717 1.00 . A A . 2 ARG CZ 1 1 9 3523 1 1 2 ARG H H -0.448 9.139 -3.572 1.00 . A A . 2 ARG H 1 1 9 3524 1 1 2 ARG HA H -1.770 8.456 -6.035 1.00 . A A . 2 ARG HA 1 1 9 3525 1 1 2 ARG HB2 H 0.009 7.196 -4.125 1.00 . A A . 2 ARG HB2 1 1 9 3526 1 1 2 ARG HB3 H -1.289 6.085 -4.456 1.00 . A A . 2 ARG HB3 1 1 9 3527 1 1 2 ARG HD2 H -0.973 4.632 -5.917 1.00 . A A . 2 ARG HD2 1 1 9 3528 1 1 2 ARG HD3 H -1.387 5.430 -7.428 1.00 . A A . 2 ARG HD3 1 1 9 3529 1 1 2 ARG HE H 0.631 4.613 -8.374 1.00 . A A . 2 ARG HE 1 1 9 3530 1 1 2 ARG HG2 H -0.207 7.362 -6.919 1.00 . A A . 2 ARG HG2 1 1 9 3531 1 1 2 ARG HG3 H 1.009 6.509 -6.000 1.00 . A A . 2 ARG HG3 1 1 9 3532 1 1 2 ARG HH11 H -0.099 2.479 -6.177 1.00 . A A . 2 ARG HH11 1 1 9 3533 1 1 2 ARG HH12 H 1.491 2.138 -5.579 1.00 . A A . 2 ARG HH12 1 1 9 3534 1 1 2 ARG HH21 H 2.914 4.927 -7.131 1.00 . A A . 2 ARG HH21 1 1 9 3535 1 1 2 ARG HH22 H 3.231 3.547 -6.133 1.00 . A A . 2 ARG HH22 1 1 9 3536 1 1 2 ARG N N -1.178 9.300 -4.204 1.00 . A A . 2 ARG N 1 1 9 3537 1 1 2 ARG NE N 0.515 4.526 -7.406 1.00 . A A . 2 ARG NE 1 1 9 3538 1 1 2 ARG NH1 N 0.870 2.714 -6.111 1.00 . A A . 2 ARG NH1 1 1 9 3539 1 1 2 ARG NH2 N 2.591 4.109 -6.656 1.00 . A A . 2 ARG NH2 1 1 9 3540 1 1 2 ARG O O -3.558 7.979 -3.463 1.00 . A A . 2 ARG O 1 1 9 3541 1 1 3 ILE C C -5.255 5.326 -4.453 1.00 . A A . 3 ILE C 1 1 9 3542 1 1 3 ILE CA C -5.237 6.662 -5.240 1.00 . A A . 3 ILE CA 1 1 9 3543 1 1 3 ILE CB C -5.935 6.510 -6.613 1.00 . A A . 3 ILE CB 1 1 9 3544 1 1 3 ILE CD1 C -5.953 5.258 -8.826 1.00 . A A . 3 ILE CD1 1 1 9 3545 1 1 3 ILE CG1 C -5.213 5.440 -7.488 1.00 . A A . 3 ILE CG1 1 1 9 3546 1 1 3 ILE CG2 C -5.943 7.881 -7.338 1.00 . A A . 3 ILE CG2 1 1 9 3547 1 1 3 ILE H H -3.462 6.949 -6.383 1.00 . A A . 3 ILE H 1 1 9 3548 1 1 3 ILE HA H -5.739 7.424 -4.664 1.00 . A A . 3 ILE HA 1 1 9 3549 1 1 3 ILE HB H -6.948 6.195 -6.449 1.00 . A A . 3 ILE HB 1 1 9 3550 1 1 3 ILE HD11 H -7.005 5.472 -8.714 1.00 . A A . 3 ILE HD11 1 1 9 3551 1 1 3 ILE HD12 H -5.540 5.925 -9.568 1.00 . A A . 3 ILE HD12 1 1 9 3552 1 1 3 ILE HD13 H -5.842 4.242 -9.173 1.00 . A A . 3 ILE HD13 1 1 9 3553 1 1 3 ILE HG12 H -4.191 5.730 -7.677 1.00 . A A . 3 ILE HG12 1 1 9 3554 1 1 3 ILE HG13 H -5.211 4.493 -6.969 1.00 . A A . 3 ILE HG13 1 1 9 3555 1 1 3 ILE HG21 H -6.272 8.659 -6.665 1.00 . A A . 3 ILE HG21 1 1 9 3556 1 1 3 ILE HG22 H -4.952 8.128 -7.693 1.00 . A A . 3 ILE HG22 1 1 9 3557 1 1 3 ILE HG23 H -6.615 7.852 -8.183 1.00 . A A . 3 ILE HG23 1 1 9 3558 1 1 3 ILE N N -3.842 7.122 -5.497 1.00 . A A . 3 ILE N 1 1 9 3559 1 1 3 ILE O O -4.276 4.605 -4.480 1.00 . A A . 3 ILE O 1 1 9 3560 1 1 4 HYP C C -6.381 2.504 -4.064 1.00 . A A . 4 HYP C 1 1 9 3561 1 1 4 HYP CA C -6.550 3.705 -3.116 1.00 . A A . 4 HYP CA 1 1 9 3562 1 1 4 HYP CB C -7.958 3.743 -2.509 1.00 . A A . 4 HYP CB 1 1 9 3563 1 1 4 HYP CD C -7.499 5.959 -3.586 1.00 . A A . 4 HYP CD 1 1 9 3564 1 1 4 HYP CG C -8.441 5.213 -2.618 1.00 . A A . 4 HYP CG 1 1 9 3565 1 1 4 HYP HA H -5.834 3.618 -2.314 1.00 . A A . 4 HYP HA 1 1 9 3566 1 1 4 HYP HB2 H -7.935 3.411 -1.482 1.00 . A A . 4 HYP HB2 1 1 9 3567 1 1 4 HYP HB3 H -8.631 3.106 -3.066 1.00 . A A . 4 HYP HB3 1 1 9 3568 1 1 4 HYP HD1 H -8.546 6.663 -1.325 1.00 . A A . 4 HYP HD1 1 1 9 3569 1 1 4 HYP HD22 H -7.151 6.892 -3.167 1.00 . A A . 4 HYP HD22 1 1 9 3570 1 1 4 HYP HD23 H -7.988 6.134 -4.532 1.00 . A A . 4 HYP HD23 1 1 9 3571 1 1 4 HYP HG H -9.488 5.312 -2.865 1.00 . A A . 4 HYP HG 1 1 9 3572 1 1 4 HYP N N -6.349 5.030 -3.778 1.00 . A A . 4 HYP N 1 1 9 3573 1 1 4 HYP O O -6.357 2.661 -5.270 1.00 . A A . 4 HYP O 1 1 9 3574 1 1 4 HYP OD1 O -8.174 5.778 -1.340 1.00 . A A . 4 HYP OD1 1 1 9 3575 1 1 5 ASN C C -5.011 -0.045 -5.237 1.00 . A A . 5 ASN C 1 1 9 3576 1 1 5 ASN CA C -6.093 0.028 -4.137 1.00 . A A . 5 ASN CA 1 1 9 3577 1 1 5 ASN CB C -7.480 -0.399 -4.723 1.00 . A A . 5 ASN CB 1 1 9 3578 1 1 5 ASN CG C -7.888 0.439 -5.943 1.00 . A A . 5 ASN CG 1 1 9 3579 1 1 5 ASN H H -6.290 1.354 -2.469 1.00 . A A . 5 ASN H 1 1 9 3580 1 1 5 ASN HA H -5.827 -0.694 -3.382 1.00 . A A . 5 ASN HA 1 1 9 3581 1 1 5 ASN HB2 H -7.444 -1.438 -5.018 1.00 . A A . 5 ASN HB2 1 1 9 3582 1 1 5 ASN HB3 H -8.240 -0.291 -3.963 1.00 . A A . 5 ASN HB3 1 1 9 3583 1 1 5 ASN HD21 H -9.227 1.487 -4.921 1.00 . A A . 5 ASN HD21 1 1 9 3584 1 1 5 ASN HD22 H -9.089 1.895 -6.563 1.00 . A A . 5 ASN HD22 1 1 9 3585 1 1 5 ASN N N -6.265 1.352 -3.448 1.00 . A A . 5 ASN N 1 1 9 3586 1 1 5 ASN ND2 N -8.812 1.350 -5.798 1.00 . A A . 5 ASN ND2 1 1 9 3587 1 1 5 ASN O O -4.951 -1.020 -5.962 1.00 . A A . 5 ASN O 1 1 9 3588 1 1 5 ASN OD1 O -7.374 0.274 -7.032 1.00 . A A . 5 ASN OD1 1 1 9 3589 1 1 6 GLN C C -1.873 0.265 -5.817 1.00 . A A . 6 GLN C 1 1 9 3590 1 1 6 GLN CA C -3.111 0.983 -6.369 1.00 . A A . 6 GLN CA 1 1 9 3591 1 1 6 GLN CB C -2.769 2.436 -6.715 1.00 . A A . 6 GLN CB 1 1 9 3592 1 1 6 GLN CD C -3.267 2.941 -9.133 1.00 . A A . 6 GLN CD 1 1 9 3593 1 1 6 GLN CG C -2.185 2.489 -8.146 1.00 . A A . 6 GLN CG 1 1 9 3594 1 1 6 GLN H H -4.274 1.734 -4.730 1.00 . A A . 6 GLN H 1 1 9 3595 1 1 6 GLN HA H -3.463 0.462 -7.248 1.00 . A A . 6 GLN HA 1 1 9 3596 1 1 6 GLN HB2 H -3.661 3.040 -6.649 1.00 . A A . 6 GLN HB2 1 1 9 3597 1 1 6 GLN HB3 H -2.051 2.822 -6.008 1.00 . A A . 6 GLN HB3 1 1 9 3598 1 1 6 GLN HE21 H -2.385 4.681 -9.499 1.00 . A A . 6 GLN HE21 1 1 9 3599 1 1 6 GLN HE22 H -3.836 4.414 -10.338 1.00 . A A . 6 GLN HE22 1 1 9 3600 1 1 6 GLN HG2 H -1.365 3.186 -8.187 1.00 . A A . 6 GLN HG2 1 1 9 3601 1 1 6 GLN HG3 H -1.825 1.519 -8.455 1.00 . A A . 6 GLN HG3 1 1 9 3602 1 1 6 GLN N N -4.188 0.971 -5.335 1.00 . A A . 6 GLN N 1 1 9 3603 1 1 6 GLN NE2 N -3.154 4.109 -9.704 1.00 . A A . 6 GLN NE2 1 1 9 3604 1 1 6 GLN O O -1.461 0.514 -4.700 1.00 . A A . 6 GLN O 1 1 9 3605 1 1 6 GLN OE1 O -4.223 2.236 -9.390 1.00 . A A . 6 GLN OE1 1 1 9 3606 1 1 7 LYS C C 1.001 -0.597 -5.568 1.00 . A A . 7 LYS C 1 1 9 3607 1 1 7 LYS CA C -0.117 -1.397 -6.270 1.00 . A A . 7 LYS CA 1 1 9 3608 1 1 7 LYS CB C 0.430 -2.058 -7.572 1.00 . A A . 7 LYS CB 1 1 9 3609 1 1 7 LYS CD C 1.390 -4.205 -6.608 1.00 . A A . 7 LYS CD 1 1 9 3610 1 1 7 LYS CE C 2.610 -4.545 -7.481 1.00 . A A . 7 LYS CE 1 1 9 3611 1 1 7 LYS CG C 0.267 -3.595 -7.488 1.00 . A A . 7 LYS CG 1 1 9 3612 1 1 7 LYS H H -1.729 -0.726 -7.521 1.00 . A A . 7 LYS H 1 1 9 3613 1 1 7 LYS HA H -0.449 -2.169 -5.596 1.00 . A A . 7 LYS HA 1 1 9 3614 1 1 7 LYS HB2 H -0.123 -1.694 -8.426 1.00 . A A . 7 LYS HB2 1 1 9 3615 1 1 7 LYS HB3 H 1.473 -1.816 -7.727 1.00 . A A . 7 LYS HB3 1 1 9 3616 1 1 7 LYS HD2 H 1.686 -3.511 -5.835 1.00 . A A . 7 LYS HD2 1 1 9 3617 1 1 7 LYS HD3 H 1.026 -5.106 -6.136 1.00 . A A . 7 LYS HD3 1 1 9 3618 1 1 7 LYS HE2 H 2.363 -5.331 -8.180 1.00 . A A . 7 LYS HE2 1 1 9 3619 1 1 7 LYS HE3 H 2.938 -3.675 -8.030 1.00 . A A . 7 LYS HE3 1 1 9 3620 1 1 7 LYS HG2 H -0.697 -3.838 -7.065 1.00 . A A . 7 LYS HG2 1 1 9 3621 1 1 7 LYS HG3 H 0.307 -4.011 -8.484 1.00 . A A . 7 LYS HG3 1 1 9 3622 1 1 7 LYS HZ1 H 3.427 -5.846 -6.078 1.00 . A A . 7 LYS HZ1 1 1 9 3623 1 1 7 LYS HZ2 H 4.545 -5.264 -7.216 1.00 . A A . 7 LYS HZ2 1 1 9 3624 1 1 7 LYS HZ3 H 4.004 -4.253 -5.963 1.00 . A A . 7 LYS HZ3 1 1 9 3625 1 1 7 LYS N N -1.328 -0.599 -6.636 1.00 . A A . 7 LYS N 1 1 9 3626 1 1 7 LYS NZ N 3.732 -5.012 -6.619 1.00 . A A . 7 LYS NZ 1 1 9 3627 1 1 7 LYS O O 1.798 0.071 -6.201 1.00 . A A . 7 LYS O 1 1 9 3628 1 1 8 CYS C C 2.421 -0.957 -2.274 1.00 . A A . 8 CYS C 1 1 9 3629 1 1 8 CYS CA C 2.009 -0.009 -3.402 1.00 . A A . 8 CYS CA 1 1 9 3630 1 1 8 CYS CB C 1.382 1.251 -2.824 1.00 . A A . 8 CYS CB 1 1 9 3631 1 1 8 CYS H H 0.321 -1.261 -3.833 1.00 . A A . 8 CYS H 1 1 9 3632 1 1 8 CYS HA H 2.882 0.237 -3.990 1.00 . A A . 8 CYS HA 1 1 9 3633 1 1 8 CYS HB2 H 2.157 1.805 -2.316 1.00 . A A . 8 CYS HB2 1 1 9 3634 1 1 8 CYS HB3 H 1.036 1.860 -3.644 1.00 . A A . 8 CYS HB3 1 1 9 3635 1 1 8 CYS N N 1.003 -0.705 -4.263 1.00 . A A . 8 CYS N 1 1 9 3636 1 1 8 CYS O O 1.614 -1.732 -1.800 1.00 . A A . 8 CYS O 1 1 9 3637 1 1 8 CYS SG S 0.003 1.082 -1.668 1.00 . A A . 8 CYS SG 1 1 9 3638 1 1 9 PHE C C 3.948 -1.148 0.615 1.00 . A A . 9 PHE C 1 1 9 3639 1 1 9 PHE CA C 4.157 -1.756 -0.774 1.00 . A A . 9 PHE CA 1 1 9 3640 1 1 9 PHE CB C 5.661 -2.026 -1.000 1.00 . A A . 9 PHE CB 1 1 9 3641 1 1 9 PHE CD1 C 6.133 -4.032 0.487 1.00 . A A . 9 PHE CD1 1 1 9 3642 1 1 9 PHE CD2 C 6.036 -4.373 -1.872 1.00 . A A . 9 PHE CD2 1 1 9 3643 1 1 9 PHE CE1 C 6.392 -5.375 0.669 1.00 . A A . 9 PHE CE1 1 1 9 3644 1 1 9 PHE CE2 C 6.296 -5.715 -1.690 1.00 . A A . 9 PHE CE2 1 1 9 3645 1 1 9 PHE CG C 5.953 -3.520 -0.786 1.00 . A A . 9 PHE CG 1 1 9 3646 1 1 9 PHE CZ C 6.474 -6.217 -0.419 1.00 . A A . 9 PHE CZ 1 1 9 3647 1 1 9 PHE H H 4.265 -0.214 -2.278 1.00 . A A . 9 PHE H 1 1 9 3648 1 1 9 PHE HA H 3.612 -2.690 -0.819 1.00 . A A . 9 PHE HA 1 1 9 3649 1 1 9 PHE HB2 H 5.946 -1.757 -2.007 1.00 . A A . 9 PHE HB2 1 1 9 3650 1 1 9 PHE HB3 H 6.267 -1.453 -0.312 1.00 . A A . 9 PHE HB3 1 1 9 3651 1 1 9 PHE HD1 H 6.072 -3.380 1.346 1.00 . A A . 9 PHE HD1 1 1 9 3652 1 1 9 PHE HD2 H 5.897 -3.987 -2.871 1.00 . A A . 9 PHE HD2 1 1 9 3653 1 1 9 PHE HE1 H 6.532 -5.766 1.666 1.00 . A A . 9 PHE HE1 1 1 9 3654 1 1 9 PHE HE2 H 6.361 -6.371 -2.546 1.00 . A A . 9 PHE HE2 1 1 9 3655 1 1 9 PHE HZ H 6.679 -7.267 -0.278 1.00 . A A . 9 PHE HZ 1 1 9 3656 1 1 9 PHE N N 3.660 -0.867 -1.867 1.00 . A A . 9 PHE N 1 1 9 3657 1 1 9 PHE O O 3.823 0.051 0.775 1.00 . A A . 9 PHE O 1 1 9 3658 1 1 10 GLN C C 4.850 -0.741 3.487 1.00 . A A . 10 GLN C 1 1 9 3659 1 1 10 GLN CA C 3.735 -1.686 3.008 1.00 . A A . 10 GLN CA 1 1 9 3660 1 1 10 GLN CB C 3.753 -2.981 3.848 1.00 . A A . 10 GLN CB 1 1 9 3661 1 1 10 GLN CD C 2.695 -4.618 2.239 1.00 . A A . 10 GLN CD 1 1 9 3662 1 1 10 GLN CG C 2.503 -3.847 3.552 1.00 . A A . 10 GLN CG 1 1 9 3663 1 1 10 GLN H H 4.024 -2.982 1.347 1.00 . A A . 10 GLN H 1 1 9 3664 1 1 10 GLN HA H 2.783 -1.199 3.097 1.00 . A A . 10 GLN HA 1 1 9 3665 1 1 10 GLN HB2 H 4.651 -3.542 3.632 1.00 . A A . 10 GLN HB2 1 1 9 3666 1 1 10 GLN HB3 H 3.761 -2.725 4.897 1.00 . A A . 10 GLN HB3 1 1 9 3667 1 1 10 GLN HE21 H 1.425 -3.468 1.239 1.00 . A A . 10 GLN HE21 1 1 9 3668 1 1 10 GLN HE22 H 2.145 -4.716 0.337 1.00 . A A . 10 GLN HE22 1 1 9 3669 1 1 10 GLN HG2 H 2.352 -4.559 4.350 1.00 . A A . 10 GLN HG2 1 1 9 3670 1 1 10 GLN HG3 H 1.620 -3.230 3.470 1.00 . A A . 10 GLN HG3 1 1 9 3671 1 1 10 GLN N N 3.922 -2.041 1.574 1.00 . A A . 10 GLN N 1 1 9 3672 1 1 10 GLN NE2 N 2.033 -4.236 1.184 1.00 . A A . 10 GLN NE2 1 1 9 3673 1 1 10 GLN O O 4.727 -0.101 4.514 1.00 . A A . 10 GLN O 1 1 9 3674 1 1 10 GLN OE1 O 3.445 -5.572 2.161 1.00 . A A . 10 GLN OE1 1 1 9 3675 1 1 11 HIS C C 7.067 1.368 2.053 1.00 . A A . 11 HIS C 1 1 9 3676 1 1 11 HIS CA C 7.087 0.163 3.003 1.00 . A A . 11 HIS CA 1 1 9 3677 1 1 11 HIS CB C 8.376 -0.664 2.785 1.00 . A A . 11 HIS CB 1 1 9 3678 1 1 11 HIS CD2 C 9.089 -0.490 5.337 1.00 . A A . 11 HIS CD2 1 1 9 3679 1 1 11 HIS CE1 C 9.823 -2.413 5.576 1.00 . A A . 11 HIS CE1 1 1 9 3680 1 1 11 HIS CG C 8.946 -1.145 4.126 1.00 . A A . 11 HIS CG 1 1 9 3681 1 1 11 HIS H H 5.918 -1.253 1.902 1.00 . A A . 11 HIS H 1 1 9 3682 1 1 11 HIS HA H 7.025 0.528 4.018 1.00 . A A . 11 HIS HA 1 1 9 3683 1 1 11 HIS HB2 H 8.168 -1.527 2.169 1.00 . A A . 11 HIS HB2 1 1 9 3684 1 1 11 HIS HB3 H 9.133 -0.068 2.294 1.00 . A A . 11 HIS HB3 1 1 9 3685 1 1 11 HIS HD1 H 9.467 -3.050 3.688 1.00 . A A . 11 HIS HD1 1 1 9 3686 1 1 11 HIS HD2 H 8.795 0.531 5.526 1.00 . A A . 11 HIS HD2 1 1 9 3687 1 1 11 HIS HE1 H 10.261 -3.301 6.010 1.00 . A A . 11 HIS HE1 1 1 9 3688 1 1 11 HIS N N 5.903 -0.699 2.709 1.00 . A A . 11 HIS N 1 1 9 3689 1 1 11 HIS ND1 N 9.420 -2.328 4.348 1.00 . A A . 11 HIS ND1 1 1 9 3690 1 1 11 HIS NE2 N 9.636 -1.293 6.228 1.00 . A A . 11 HIS NE2 1 1 9 3691 1 1 11 HIS O O 7.485 2.451 2.414 1.00 . A A . 11 HIS O 1 1 9 3692 1 1 12 LEU C C 5.051 2.711 -0.280 1.00 . A A . 12 LEU C 1 1 9 3693 1 1 12 LEU CA C 6.490 2.194 -0.182 1.00 . A A . 12 LEU CA 1 1 9 3694 1 1 12 LEU CB C 6.968 1.584 -1.525 1.00 . A A . 12 LEU CB 1 1 9 3695 1 1 12 LEU CD1 C 8.814 0.291 -2.671 1.00 . A A . 12 LEU CD1 1 1 9 3696 1 1 12 LEU CD2 C 9.421 2.170 -1.109 1.00 . A A . 12 LEU CD2 1 1 9 3697 1 1 12 LEU CG C 8.415 1.021 -1.375 1.00 . A A . 12 LEU CG 1 1 9 3698 1 1 12 LEU H H 6.255 0.228 0.650 1.00 . A A . 12 LEU H 1 1 9 3699 1 1 12 LEU HA H 7.128 3.022 0.088 1.00 . A A . 12 LEU HA 1 1 9 3700 1 1 12 LEU HB2 H 6.299 0.784 -1.812 1.00 . A A . 12 LEU HB2 1 1 9 3701 1 1 12 LEU HB3 H 6.944 2.341 -2.296 1.00 . A A . 12 LEU HB3 1 1 9 3702 1 1 12 LEU HD11 H 8.768 0.966 -3.513 1.00 . A A . 12 LEU HD11 1 1 9 3703 1 1 12 LEU HD12 H 9.822 -0.091 -2.584 1.00 . A A . 12 LEU HD12 1 1 9 3704 1 1 12 LEU HD13 H 8.146 -0.539 -2.850 1.00 . A A . 12 LEU HD13 1 1 9 3705 1 1 12 LEU HD21 H 9.252 2.992 -1.790 1.00 . A A . 12 LEU HD21 1 1 9 3706 1 1 12 LEU HD22 H 9.314 2.529 -0.096 1.00 . A A . 12 LEU HD22 1 1 9 3707 1 1 12 LEU HD23 H 10.434 1.818 -1.239 1.00 . A A . 12 LEU HD23 1 1 9 3708 1 1 12 LEU HG H 8.455 0.318 -0.555 1.00 . A A . 12 LEU HG 1 1 9 3709 1 1 12 LEU N N 6.577 1.128 0.862 1.00 . A A . 12 LEU N 1 1 9 3710 1 1 12 LEU O O 4.357 2.509 -1.259 1.00 . A A . 12 LEU O 1 1 9 3711 1 1 13 ASP C C 3.243 5.322 0.163 1.00 . A A . 13 ASP C 1 1 9 3712 1 1 13 ASP CA C 3.287 3.956 0.858 1.00 . A A . 13 ASP CA 1 1 9 3713 1 1 13 ASP CB C 2.907 4.081 2.344 1.00 . A A . 13 ASP CB 1 1 9 3714 1 1 13 ASP CG C 2.589 2.675 2.880 1.00 . A A . 13 ASP CG 1 1 9 3715 1 1 13 ASP H H 5.281 3.489 1.525 1.00 . A A . 13 ASP H 1 1 9 3716 1 1 13 ASP HA H 2.593 3.293 0.361 1.00 . A A . 13 ASP HA 1 1 9 3717 1 1 13 ASP HB2 H 3.726 4.499 2.914 1.00 . A A . 13 ASP HB2 1 1 9 3718 1 1 13 ASP HB3 H 2.043 4.719 2.460 1.00 . A A . 13 ASP HB3 1 1 9 3719 1 1 13 ASP N N 4.660 3.376 0.776 1.00 . A A . 13 ASP N 1 1 9 3720 1 1 13 ASP O O 3.522 6.351 0.744 1.00 . A A . 13 ASP O 1 1 9 3721 1 1 13 ASP OD1 O 3.534 1.911 2.989 1.00 . A A . 13 ASP OD1 1 1 9 3722 1 1 13 ASP OD2 O 1.422 2.440 3.147 1.00 . A A . 13 ASP OD2 1 1 9 3723 1 1 14 ASP C C 1.343 7.030 -1.897 1.00 . A A . 14 ASP C 1 1 9 3724 1 1 14 ASP CA C 2.767 6.452 -1.972 1.00 . A A . 14 ASP CA 1 1 9 3725 1 1 14 ASP CB C 3.086 6.023 -3.414 1.00 . A A . 14 ASP CB 1 1 9 3726 1 1 14 ASP CG C 2.436 4.652 -3.716 1.00 . A A . 14 ASP CG 1 1 9 3727 1 1 14 ASP H H 2.680 4.376 -1.478 1.00 . A A . 14 ASP H 1 1 9 3728 1 1 14 ASP HA H 3.470 7.204 -1.646 1.00 . A A . 14 ASP HA 1 1 9 3729 1 1 14 ASP HB2 H 2.696 6.748 -4.108 1.00 . A A . 14 ASP HB2 1 1 9 3730 1 1 14 ASP HB3 H 4.157 5.954 -3.551 1.00 . A A . 14 ASP HB3 1 1 9 3731 1 1 14 ASP N N 2.884 5.251 -1.090 1.00 . A A . 14 ASP N 1 1 9 3732 1 1 14 ASP O O 1.117 8.185 -2.203 1.00 . A A . 14 ASP O 1 1 9 3733 1 1 14 ASP OD1 O 1.221 4.632 -3.835 1.00 . A A . 14 ASP OD1 1 1 9 3734 1 1 14 ASP OD2 O 3.193 3.699 -3.808 1.00 . A A . 14 ASP OD2 1 1 9 3735 1 1 15 CYS C C -1.295 7.818 -0.606 1.00 . A A . 15 CYS C 1 1 9 3736 1 1 15 CYS CA C -1.003 6.509 -1.338 1.00 . A A . 15 CYS CA 1 1 9 3737 1 1 15 CYS CB C -1.646 5.344 -0.609 1.00 . A A . 15 CYS CB 1 1 9 3738 1 1 15 CYS H H 0.718 5.267 -1.251 1.00 . A A . 15 CYS H 1 1 9 3739 1 1 15 CYS HA H -1.433 6.572 -2.325 1.00 . A A . 15 CYS HA 1 1 9 3740 1 1 15 CYS HB2 H -1.450 5.478 0.442 1.00 . A A . 15 CYS HB2 1 1 9 3741 1 1 15 CYS HB3 H -2.716 5.352 -0.759 1.00 . A A . 15 CYS HB3 1 1 9 3742 1 1 15 CYS N N 0.441 6.177 -1.483 1.00 . A A . 15 CYS N 1 1 9 3743 1 1 15 CYS O O -0.497 8.304 0.171 1.00 . A A . 15 CYS O 1 1 9 3744 1 1 15 CYS SG S -1.011 3.702 -1.017 1.00 . A A . 15 CYS SG 1 1 9 3745 1 1 16 CYS C C -3.123 9.306 1.217 1.00 . A A . 16 CYS C 1 1 9 3746 1 1 16 CYS CA C -2.916 9.615 -0.274 1.00 . A A . 16 CYS CA 1 1 9 3747 1 1 16 CYS CB C -4.232 10.048 -0.948 1.00 . A A . 16 CYS CB 1 1 9 3748 1 1 16 CYS H H -3.038 7.878 -1.538 1.00 . A A . 16 CYS H 1 1 9 3749 1 1 16 CYS HA H -2.145 10.362 -0.382 1.00 . A A . 16 CYS HA 1 1 9 3750 1 1 16 CYS HB2 H -4.249 9.663 -1.956 1.00 . A A . 16 CYS HB2 1 1 9 3751 1 1 16 CYS HB3 H -5.066 9.606 -0.423 1.00 . A A . 16 CYS HB3 1 1 9 3752 1 1 16 CYS N N -2.459 8.338 -0.898 1.00 . A A . 16 CYS N 1 1 9 3753 1 1 16 CYS O O -2.823 10.109 2.079 1.00 . A A . 16 CYS O 1 1 9 3754 1 1 16 CYS SG S -4.539 11.826 -1.064 1.00 . A A . 16 CYS SG 1 1 9 3755 1 1 17 SER C C -2.609 7.085 3.445 1.00 . A A . 17 SER C 1 1 9 3756 1 1 17 SER CA C -3.913 7.617 2.818 1.00 . A A . 17 SER CA 1 1 9 3757 1 1 17 SER CB C -4.952 6.498 2.703 1.00 . A A . 17 SER CB 1 1 9 3758 1 1 17 SER H H -3.856 7.532 0.698 1.00 . A A . 17 SER H 1 1 9 3759 1 1 17 SER HA H -4.297 8.423 3.426 1.00 . A A . 17 SER HA 1 1 9 3760 1 1 17 SER HB2 H -5.195 6.094 3.668 1.00 . A A . 17 SER HB2 1 1 9 3761 1 1 17 SER HB3 H -5.849 6.831 2.202 1.00 . A A . 17 SER HB3 1 1 9 3762 1 1 17 SER HG H -3.621 5.095 2.447 1.00 . A A . 17 SER HG 1 1 9 3763 1 1 17 SER N N -3.636 8.122 1.447 1.00 . A A . 17 SER N 1 1 9 3764 1 1 17 SER O O -2.559 6.820 4.631 1.00 . A A . 17 SER O 1 1 9 3765 1 1 17 SER OG O -4.315 5.494 1.919 1.00 . A A . 17 SER OG 1 1 9 3766 1 1 18 ARG C C -0.389 5.072 3.720 1.00 . A A . 18 ARG C 1 1 9 3767 1 1 18 ARG CA C -0.254 6.444 3.034 1.00 . A A . 18 ARG CA 1 1 9 3768 1 1 18 ARG CB C 0.391 7.482 4.001 1.00 . A A . 18 ARG CB 1 1 9 3769 1 1 18 ARG CD C 1.867 8.623 2.242 1.00 . A A . 18 ARG CD 1 1 9 3770 1 1 18 ARG CG C 0.701 8.803 3.245 1.00 . A A . 18 ARG CG 1 1 9 3771 1 1 18 ARG CZ C 4.033 8.655 3.333 1.00 . A A . 18 ARG CZ 1 1 9 3772 1 1 18 ARG H H -1.734 7.187 1.670 1.00 . A A . 18 ARG H 1 1 9 3773 1 1 18 ARG HA H 0.356 6.318 2.153 1.00 . A A . 18 ARG HA 1 1 9 3774 1 1 18 ARG HB2 H -0.280 7.697 4.819 1.00 . A A . 18 ARG HB2 1 1 9 3775 1 1 18 ARG HB3 H 1.302 7.076 4.418 1.00 . A A . 18 ARG HB3 1 1 9 3776 1 1 18 ARG HD2 H 1.567 8.012 1.405 1.00 . A A . 18 ARG HD2 1 1 9 3777 1 1 18 ARG HD3 H 2.189 9.586 1.873 1.00 . A A . 18 ARG HD3 1 1 9 3778 1 1 18 ARG HE H 2.988 6.985 3.084 1.00 . A A . 18 ARG HE 1 1 9 3779 1 1 18 ARG HG2 H -0.179 9.141 2.718 1.00 . A A . 18 ARG HG2 1 1 9 3780 1 1 18 ARG HG3 H 0.973 9.562 3.963 1.00 . A A . 18 ARG HG3 1 1 9 3781 1 1 18 ARG HH11 H 3.061 9.374 4.926 1.00 . A A . 18 ARG HH11 1 1 9 3782 1 1 18 ARG HH12 H 4.696 9.914 4.741 1.00 . A A . 18 ARG HH12 1 1 9 3783 1 1 18 ARG HH21 H 5.177 8.056 1.805 1.00 . A A . 18 ARG HH21 1 1 9 3784 1 1 18 ARG HH22 H 5.929 9.147 2.923 1.00 . A A . 18 ARG HH22 1 1 9 3785 1 1 18 ARG N N -1.601 6.950 2.610 1.00 . A A . 18 ARG N 1 1 9 3786 1 1 18 ARG NE N 3.010 7.953 2.932 1.00 . A A . 18 ARG NE 1 1 9 3787 1 1 18 ARG NH1 N 3.922 9.370 4.418 1.00 . A A . 18 ARG NH1 1 1 9 3788 1 1 18 ARG NH2 N 5.132 8.616 2.632 1.00 . A A . 18 ARG NH2 1 1 9 3789 1 1 18 ARG O O 0.401 4.706 4.569 1.00 . A A . 18 ARG O 1 1 9 3790 1 1 19 LYS C C -1.786 2.017 2.682 1.00 . A A . 19 LYS C 1 1 9 3791 1 1 19 LYS CA C -1.708 3.010 3.846 1.00 . A A . 19 LYS CA 1 1 9 3792 1 1 19 LYS CB C -3.043 3.082 4.581 1.00 . A A . 19 LYS CB 1 1 9 3793 1 1 19 LYS CD C -4.175 3.772 6.716 1.00 . A A . 19 LYS CD 1 1 9 3794 1 1 19 LYS CE C -3.950 4.177 8.183 1.00 . A A . 19 LYS CE 1 1 9 3795 1 1 19 LYS CG C -2.812 3.522 6.040 1.00 . A A . 19 LYS CG 1 1 9 3796 1 1 19 LYS H H -2.009 4.716 2.618 1.00 . A A . 19 LYS H 1 1 9 3797 1 1 19 LYS HA H -0.922 2.696 4.519 1.00 . A A . 19 LYS HA 1 1 9 3798 1 1 19 LYS HB2 H -3.693 3.787 4.084 1.00 . A A . 19 LYS HB2 1 1 9 3799 1 1 19 LYS HB3 H -3.508 2.113 4.547 1.00 . A A . 19 LYS HB3 1 1 9 3800 1 1 19 LYS HD2 H -4.704 4.561 6.200 1.00 . A A . 19 LYS HD2 1 1 9 3801 1 1 19 LYS HD3 H -4.774 2.873 6.679 1.00 . A A . 19 LYS HD3 1 1 9 3802 1 1 19 LYS HE2 H -3.397 3.410 8.705 1.00 . A A . 19 LYS HE2 1 1 9 3803 1 1 19 LYS HE3 H -3.401 5.106 8.237 1.00 . A A . 19 LYS HE3 1 1 9 3804 1 1 19 LYS HG2 H -2.279 2.748 6.572 1.00 . A A . 19 LYS HG2 1 1 9 3805 1 1 19 LYS HG3 H -2.224 4.428 6.062 1.00 . A A . 19 LYS HG3 1 1 9 3806 1 1 19 LYS HZ1 H -5.973 3.745 8.416 1.00 . A A . 19 LYS HZ1 1 1 9 3807 1 1 19 LYS HZ2 H -5.171 4.111 9.867 1.00 . A A . 19 LYS HZ2 1 1 9 3808 1 1 19 LYS HZ3 H -5.561 5.353 8.777 1.00 . A A . 19 LYS HZ3 1 1 9 3809 1 1 19 LYS N N -1.408 4.361 3.304 1.00 . A A . 19 LYS N 1 1 9 3810 1 1 19 LYS NZ N -5.263 4.361 8.862 1.00 . A A . 19 LYS NZ 1 1 9 3811 1 1 19 LYS O O -2.553 2.211 1.759 1.00 . A A . 19 LYS O 1 1 9 3812 1 1 20 CYS C C -1.218 -1.389 2.451 1.00 . A A . 20 CYS C 1 1 9 3813 1 1 20 CYS CA C -0.923 -0.068 1.737 1.00 . A A . 20 CYS CA 1 1 9 3814 1 1 20 CYS CB C 0.472 -0.020 1.137 1.00 . A A . 20 CYS CB 1 1 9 3815 1 1 20 CYS H H -0.373 0.894 3.530 1.00 . A A . 20 CYS H 1 1 9 3816 1 1 20 CYS HA H -1.675 0.119 0.986 1.00 . A A . 20 CYS HA 1 1 9 3817 1 1 20 CYS HB2 H 1.201 -0.053 1.935 1.00 . A A . 20 CYS HB2 1 1 9 3818 1 1 20 CYS HB3 H 0.607 -0.895 0.538 1.00 . A A . 20 CYS HB3 1 1 9 3819 1 1 20 CYS N N -0.978 0.992 2.770 1.00 . A A . 20 CYS N 1 1 9 3820 1 1 20 CYS O O -0.461 -1.819 3.299 1.00 . A A . 20 CYS O 1 1 9 3821 1 1 20 CYS SG S 0.806 1.456 0.148 1.00 . A A . 20 CYS SG 1 1 9 3822 1 1 21 ASN C C -1.809 -4.452 2.325 1.00 . A A . 21 ASN C 1 1 9 3823 1 1 21 ASN CA C -2.740 -3.288 2.694 1.00 . A A . 21 ASN CA 1 1 9 3824 1 1 21 ASN CB C -4.195 -3.607 2.241 1.00 . A A . 21 ASN CB 1 1 9 3825 1 1 21 ASN CG C -4.372 -3.365 0.733 1.00 . A A . 21 ASN CG 1 1 9 3826 1 1 21 ASN H H -2.879 -1.585 1.382 1.00 . A A . 21 ASN H 1 1 9 3827 1 1 21 ASN HA H -2.728 -3.173 3.769 1.00 . A A . 21 ASN HA 1 1 9 3828 1 1 21 ASN HB2 H -4.439 -4.638 2.451 1.00 . A A . 21 ASN HB2 1 1 9 3829 1 1 21 ASN HB3 H -4.890 -2.979 2.778 1.00 . A A . 21 ASN HB3 1 1 9 3830 1 1 21 ASN HD21 H -2.661 -4.238 0.284 1.00 . A A . 21 ASN HD21 1 1 9 3831 1 1 21 ASN HD22 H -3.535 -3.650 -1.043 1.00 . A A . 21 ASN HD22 1 1 9 3832 1 1 21 ASN N N -2.320 -1.991 2.079 1.00 . A A . 21 ASN N 1 1 9 3833 1 1 21 ASN ND2 N -3.447 -3.786 -0.080 1.00 . A A . 21 ASN ND2 1 1 9 3834 1 1 21 ASN O O -0.881 -4.301 1.553 1.00 . A A . 21 ASN O 1 1 9 3835 1 1 21 ASN OD1 O -5.348 -2.797 0.285 1.00 . A A . 21 ASN OD1 1 1 9 3836 1 1 22 ARG C C -1.374 -7.313 1.230 1.00 . A A . 22 ARG C 1 1 9 3837 1 1 22 ARG CA C -1.333 -6.829 2.687 1.00 . A A . 22 ARG CA 1 1 9 3838 1 1 22 ARG CB C -1.893 -7.908 3.631 1.00 . A A . 22 ARG CB 1 1 9 3839 1 1 22 ARG CD C -3.927 -9.162 4.392 1.00 . A A . 22 ARG CD 1 1 9 3840 1 1 22 ARG CG C -3.379 -8.210 3.320 1.00 . A A . 22 ARG CG 1 1 9 3841 1 1 22 ARG CZ C -5.820 -10.647 4.102 1.00 . A A . 22 ARG CZ 1 1 9 3842 1 1 22 ARG H H -2.866 -5.632 3.519 1.00 . A A . 22 ARG H 1 1 9 3843 1 1 22 ARG HA H -0.317 -6.613 2.961 1.00 . A A . 22 ARG HA 1 1 9 3844 1 1 22 ARG HB2 H -1.311 -8.807 3.518 1.00 . A A . 22 ARG HB2 1 1 9 3845 1 1 22 ARG HB3 H -1.794 -7.566 4.651 1.00 . A A . 22 ARG HB3 1 1 9 3846 1 1 22 ARG HD2 H -3.379 -10.095 4.383 1.00 . A A . 22 ARG HD2 1 1 9 3847 1 1 22 ARG HD3 H -3.860 -8.718 5.375 1.00 . A A . 22 ARG HD3 1 1 9 3848 1 1 22 ARG HE H -5.960 -8.680 3.865 1.00 . A A . 22 ARG HE 1 1 9 3849 1 1 22 ARG HG2 H -3.959 -7.299 3.317 1.00 . A A . 22 ARG HG2 1 1 9 3850 1 1 22 ARG HG3 H -3.465 -8.679 2.351 1.00 . A A . 22 ARG HG3 1 1 9 3851 1 1 22 ARG HH11 H -5.034 -11.087 2.317 1.00 . A A . 22 ARG HH11 1 1 9 3852 1 1 22 ARG HH12 H -5.913 -12.368 3.086 1.00 . A A . 22 ARG HH12 1 1 9 3853 1 1 22 ARG HH21 H -6.684 -10.417 5.893 1.00 . A A . 22 ARG HH21 1 1 9 3854 1 1 22 ARG HH22 H -6.871 -11.977 5.165 1.00 . A A . 22 ARG HH22 1 1 9 3855 1 1 22 ARG N N -2.109 -5.584 2.910 1.00 . A A . 22 ARG N 1 1 9 3856 1 1 22 ARG NE N -5.362 -9.425 4.083 1.00 . A A . 22 ARG NE 1 1 9 3857 1 1 22 ARG NH1 N -5.569 -11.428 3.089 1.00 . A A . 22 ARG NH1 1 1 9 3858 1 1 22 ARG NH2 N -6.513 -11.044 5.134 1.00 . A A . 22 ARG NH2 1 1 9 3859 1 1 22 ARG O O -0.612 -8.182 0.853 1.00 . A A . 22 ARG O 1 1 9 3860 1 1 23 PHE C C -1.459 -6.232 -1.811 1.00 . A A . 23 PHE C 1 1 9 3861 1 1 23 PHE CA C -2.403 -7.111 -0.974 1.00 . A A . 23 PHE CA 1 1 9 3862 1 1 23 PHE CB C -3.859 -6.883 -1.379 1.00 . A A . 23 PHE CB 1 1 9 3863 1 1 23 PHE CD1 C -4.999 -8.953 -0.456 1.00 . A A . 23 PHE CD1 1 1 9 3864 1 1 23 PHE CD2 C -5.512 -6.852 0.546 1.00 . A A . 23 PHE CD2 1 1 9 3865 1 1 23 PHE CE1 C -5.863 -9.580 0.418 1.00 . A A . 23 PHE CE1 1 1 9 3866 1 1 23 PHE CE2 C -6.376 -7.479 1.420 1.00 . A A . 23 PHE CE2 1 1 9 3867 1 1 23 PHE CG C -4.817 -7.583 -0.400 1.00 . A A . 23 PHE CG 1 1 9 3868 1 1 23 PHE CZ C -6.552 -8.843 1.355 1.00 . A A . 23 PHE CZ 1 1 9 3869 1 1 23 PHE H H -2.857 -6.037 0.796 1.00 . A A . 23 PHE H 1 1 9 3870 1 1 23 PHE HA H -2.131 -8.148 -1.110 1.00 . A A . 23 PHE HA 1 1 9 3871 1 1 23 PHE HB2 H -4.087 -5.828 -1.407 1.00 . A A . 23 PHE HB2 1 1 9 3872 1 1 23 PHE HB3 H -4.011 -7.294 -2.357 1.00 . A A . 23 PHE HB3 1 1 9 3873 1 1 23 PHE HD1 H -4.462 -9.539 -1.190 1.00 . A A . 23 PHE HD1 1 1 9 3874 1 1 23 PHE HD2 H -5.382 -5.783 0.602 1.00 . A A . 23 PHE HD2 1 1 9 3875 1 1 23 PHE HE1 H -5.999 -10.651 0.366 1.00 . A A . 23 PHE HE1 1 1 9 3876 1 1 23 PHE HE2 H -6.915 -6.899 2.155 1.00 . A A . 23 PHE HE2 1 1 9 3877 1 1 23 PHE HZ H -7.230 -9.334 2.039 1.00 . A A . 23 PHE HZ 1 1 9 3878 1 1 23 PHE N N -2.261 -6.735 0.457 1.00 . A A . 23 PHE N 1 1 9 3879 1 1 23 PHE O O -1.554 -6.190 -3.023 1.00 . A A . 23 PHE O 1 1 9 3880 1 1 24 ASN C C -0.234 -3.648 -2.676 1.00 . A A . 24 ASN C 1 1 9 3881 1 1 24 ASN CA C 0.433 -4.648 -1.734 1.00 . A A . 24 ASN CA 1 1 9 3882 1 1 24 ASN CB C 1.476 -5.516 -2.481 1.00 . A A . 24 ASN CB 1 1 9 3883 1 1 24 ASN CG C 2.208 -6.376 -1.443 1.00 . A A . 24 ASN CG 1 1 9 3884 1 1 24 ASN H H -0.569 -5.649 -0.139 1.00 . A A . 24 ASN H 1 1 9 3885 1 1 24 ASN HA H 0.914 -4.088 -0.948 1.00 . A A . 24 ASN HA 1 1 9 3886 1 1 24 ASN HB2 H 1.001 -6.159 -3.207 1.00 . A A . 24 ASN HB2 1 1 9 3887 1 1 24 ASN HB3 H 2.197 -4.885 -2.980 1.00 . A A . 24 ASN HB3 1 1 9 3888 1 1 24 ASN HD21 H 0.735 -7.703 -1.322 1.00 . A A . 24 ASN HD21 1 1 9 3889 1 1 24 ASN HD22 H 2.079 -8.020 -0.334 1.00 . A A . 24 ASN HD22 1 1 9 3890 1 1 24 ASN N N -0.574 -5.558 -1.113 1.00 . A A . 24 ASN N 1 1 9 3891 1 1 24 ASN ND2 N 1.625 -7.456 -0.996 1.00 . A A . 24 ASN ND2 1 1 9 3892 1 1 24 ASN O O 0.259 -3.351 -3.745 1.00 . A A . 24 ASN O 1 1 9 3893 1 1 24 ASN OD1 O 3.310 -6.075 -1.031 1.00 . A A . 24 ASN OD1 1 1 9 3894 1 1 25 LYS C C -2.541 -1.092 -1.928 1.00 . A A . 25 LYS C 1 1 9 3895 1 1 25 LYS CA C -2.183 -2.180 -2.946 1.00 . A A . 25 LYS CA 1 1 9 3896 1 1 25 LYS CB C -3.431 -2.888 -3.472 1.00 . A A . 25 LYS CB 1 1 9 3897 1 1 25 LYS CD C -4.401 -4.186 -5.415 1.00 . A A . 25 LYS CD 1 1 9 3898 1 1 25 LYS CE C -4.407 -5.632 -4.888 1.00 . A A . 25 LYS CE 1 1 9 3899 1 1 25 LYS CG C -3.152 -3.441 -4.887 1.00 . A A . 25 LYS CG 1 1 9 3900 1 1 25 LYS H H -1.689 -3.479 -1.337 1.00 . A A . 25 LYS H 1 1 9 3901 1 1 25 LYS HA H -1.603 -1.738 -3.741 1.00 . A A . 25 LYS HA 1 1 9 3902 1 1 25 LYS HB2 H -3.689 -3.709 -2.821 1.00 . A A . 25 LYS HB2 1 1 9 3903 1 1 25 LYS HB3 H -4.251 -2.196 -3.474 1.00 . A A . 25 LYS HB3 1 1 9 3904 1 1 25 LYS HD2 H -5.302 -3.679 -5.100 1.00 . A A . 25 LYS HD2 1 1 9 3905 1 1 25 LYS HD3 H -4.378 -4.200 -6.495 1.00 . A A . 25 LYS HD3 1 1 9 3906 1 1 25 LYS HE2 H -3.561 -6.179 -5.280 1.00 . A A . 25 LYS HE2 1 1 9 3907 1 1 25 LYS HE3 H -4.362 -5.639 -3.810 1.00 . A A . 25 LYS HE3 1 1 9 3908 1 1 25 LYS HG2 H -2.917 -2.626 -5.555 1.00 . A A . 25 LYS HG2 1 1 9 3909 1 1 25 LYS HG3 H -2.304 -4.111 -4.860 1.00 . A A . 25 LYS HG3 1 1 9 3910 1 1 25 LYS HZ1 H -6.092 -5.811 -6.100 1.00 . A A . 25 LYS HZ1 1 1 9 3911 1 1 25 LYS HZ2 H -5.430 -7.296 -5.611 1.00 . A A . 25 LYS HZ2 1 1 9 3912 1 1 25 LYS HZ3 H -6.320 -6.360 -4.509 1.00 . A A . 25 LYS HZ3 1 1 9 3913 1 1 25 LYS N N -1.358 -3.174 -2.208 1.00 . A A . 25 LYS N 1 1 9 3914 1 1 25 LYS NZ N -5.656 -6.327 -5.310 1.00 . A A . 25 LYS NZ 1 1 9 3915 1 1 25 LYS O O -2.418 -1.319 -0.740 1.00 . A A . 25 LYS O 1 1 9 3916 1 1 26 CYS C C -4.638 0.815 -0.706 1.00 . A A . 26 CYS C 1 1 9 3917 1 1 26 CYS CA C -3.325 1.135 -1.424 1.00 . A A . 26 CYS CA 1 1 9 3918 1 1 26 CYS CB C -3.442 2.450 -2.188 1.00 . A A . 26 CYS CB 1 1 9 3919 1 1 26 CYS H H -3.072 0.225 -3.346 1.00 . A A . 26 CYS H 1 1 9 3920 1 1 26 CYS HA H -2.539 1.220 -0.689 1.00 . A A . 26 CYS HA 1 1 9 3921 1 1 26 CYS HB2 H -4.065 2.297 -3.046 1.00 . A A . 26 CYS HB2 1 1 9 3922 1 1 26 CYS HB3 H -3.933 3.166 -1.553 1.00 . A A . 26 CYS HB3 1 1 9 3923 1 1 26 CYS N N -2.972 0.057 -2.387 1.00 . A A . 26 CYS N 1 1 9 3924 1 1 26 CYS O O -5.324 -0.133 -1.042 1.00 . A A . 26 CYS O 1 1 9 3925 1 1 26 CYS SG S -1.907 3.216 -2.758 1.00 . A A . 26 CYS SG 1 1 9 3926 1 1 27 VAL C C -6.996 2.770 1.057 1.00 . A A . 27 VAL C 1 1 9 3927 1 1 27 VAL CA C -6.175 1.465 1.080 1.00 . A A . 27 VAL CA 1 1 9 3928 1 1 27 VAL CB C -5.746 1.090 2.525 1.00 . A A . 27 VAL CB 1 1 9 3929 1 1 27 VAL CG1 C -6.985 0.675 3.347 1.00 . A A . 27 VAL CG1 1 1 9 3930 1 1 27 VAL CG2 C -4.767 -0.112 2.485 1.00 . A A . 27 VAL CG2 1 1 9 3931 1 1 27 VAL H H -4.321 2.369 0.470 1.00 . A A . 27 VAL H 1 1 9 3932 1 1 27 VAL HA H -6.775 0.671 0.657 1.00 . A A . 27 VAL HA 1 1 9 3933 1 1 27 VAL HB H -5.258 1.938 2.984 1.00 . A A . 27 VAL HB 1 1 9 3934 1 1 27 VAL HG11 H -7.570 -0.054 2.803 1.00 . A A . 27 VAL HG11 1 1 9 3935 1 1 27 VAL HG12 H -6.677 0.238 4.286 1.00 . A A . 27 VAL HG12 1 1 9 3936 1 1 27 VAL HG13 H -7.602 1.536 3.552 1.00 . A A . 27 VAL HG13 1 1 9 3937 1 1 27 VAL HG21 H -5.227 -0.938 1.966 1.00 . A A . 27 VAL HG21 1 1 9 3938 1 1 27 VAL HG22 H -3.858 0.150 1.968 1.00 . A A . 27 VAL HG22 1 1 9 3939 1 1 27 VAL HG23 H -4.511 -0.429 3.485 1.00 . A A . 27 VAL HG23 1 1 9 3940 1 1 27 VAL N N -4.931 1.631 0.268 1.00 . A A . 27 VAL N 1 1 9 3941 1 1 27 VAL O O -6.373 3.820 1.007 1.00 . A A . 27 VAL O 1 1 9 3942 1 1 27 VAL OXT O -8.209 2.645 1.089 1.00 . A A . 27 VAL OXT 1 1 10 3943 1 1 1 CYS C C -1.324 10.016 -4.415 1.00 . A A . 1 CYS C 1 1 10 3944 1 1 1 CYS CA C -0.520 11.044 -3.591 1.00 . A A . 1 CYS CA 1 1 10 3945 1 1 1 CYS CB C -1.430 12.022 -2.780 1.00 . A A . 1 CYS CB 1 1 10 3946 1 1 1 CYS H1 H -0.413 12.305 -5.243 1.00 . A A . 1 CYS H1 1 1 10 3947 1 1 1 CYS H2 H 0.810 12.564 -4.091 1.00 . A A . 1 CYS H2 1 1 10 3948 1 1 1 CYS H3 H 0.883 11.213 -5.118 1.00 . A A . 1 CYS H3 1 1 10 3949 1 1 1 CYS HA H 0.174 10.529 -2.943 1.00 . A A . 1 CYS HA 1 1 10 3950 1 1 1 CYS HB2 H -1.349 11.751 -1.740 1.00 . A A . 1 CYS HB2 1 1 10 3951 1 1 1 CYS HB3 H -1.009 13.013 -2.870 1.00 . A A . 1 CYS HB3 1 1 10 3952 1 1 1 CYS N N 0.248 11.842 -4.585 1.00 . A A . 1 CYS N 1 1 10 3953 1 1 1 CYS O O -2.278 10.354 -5.087 1.00 . A A . 1 CYS O 1 1 10 3954 1 1 1 CYS SG S -3.194 12.179 -3.157 1.00 . A A . 1 CYS SG 1 1 10 3955 1 1 2 ARG C C -2.984 7.358 -4.588 1.00 . A A . 2 ARG C 1 1 10 3956 1 1 2 ARG CA C -1.568 7.664 -5.084 1.00 . A A . 2 ARG CA 1 1 10 3957 1 1 2 ARG CB C -0.684 6.390 -4.970 1.00 . A A . 2 ARG CB 1 1 10 3958 1 1 2 ARG CD C -0.856 5.581 -7.363 1.00 . A A . 2 ARG CD 1 1 10 3959 1 1 2 ARG CG C 0.088 6.162 -6.288 1.00 . A A . 2 ARG CG 1 1 10 3960 1 1 2 ARG CZ C -0.687 6.856 -9.418 1.00 . A A . 2 ARG CZ 1 1 10 3961 1 1 2 ARG H H -0.122 8.577 -3.772 1.00 . A A . 2 ARG H 1 1 10 3962 1 1 2 ARG HA H -1.645 7.970 -6.119 1.00 . A A . 2 ARG HA 1 1 10 3963 1 1 2 ARG HB2 H 0.034 6.512 -4.175 1.00 . A A . 2 ARG HB2 1 1 10 3964 1 1 2 ARG HB3 H -1.285 5.520 -4.744 1.00 . A A . 2 ARG HB3 1 1 10 3965 1 1 2 ARG HD2 H -0.335 4.828 -7.938 1.00 . A A . 2 ARG HD2 1 1 10 3966 1 1 2 ARG HD3 H -1.735 5.137 -6.917 1.00 . A A . 2 ARG HD3 1 1 10 3967 1 1 2 ARG HE H -2.025 7.276 -8.010 1.00 . A A . 2 ARG HE 1 1 10 3968 1 1 2 ARG HG2 H 0.519 7.093 -6.628 1.00 . A A . 2 ARG HG2 1 1 10 3969 1 1 2 ARG HG3 H 0.893 5.463 -6.117 1.00 . A A . 2 ARG HG3 1 1 10 3970 1 1 2 ARG HH11 H 0.918 7.707 -8.578 1.00 . A A . 2 ARG HH11 1 1 10 3971 1 1 2 ARG HH12 H 0.968 7.556 -10.303 1.00 . A A . 2 ARG HH12 1 1 10 3972 1 1 2 ARG HH21 H -2.188 6.037 -10.455 1.00 . A A . 2 ARG HH21 1 1 10 3973 1 1 2 ARG HH22 H -0.840 6.585 -11.396 1.00 . A A . 2 ARG HH22 1 1 10 3974 1 1 2 ARG N N -0.896 8.778 -4.335 1.00 . A A . 2 ARG N 1 1 10 3975 1 1 2 ARG NE N -1.289 6.683 -8.272 1.00 . A A . 2 ARG NE 1 1 10 3976 1 1 2 ARG NH1 N 0.492 7.418 -9.435 1.00 . A A . 2 ARG NH1 1 1 10 3977 1 1 2 ARG NH2 N -1.286 6.462 -10.509 1.00 . A A . 2 ARG NH2 1 1 10 3978 1 1 2 ARG O O -3.323 7.618 -3.452 1.00 . A A . 2 ARG O 1 1 10 3979 1 1 3 ILE C C -5.264 5.153 -4.304 1.00 . A A . 3 ILE C 1 1 10 3980 1 1 3 ILE CA C -5.183 6.447 -5.147 1.00 . A A . 3 ILE CA 1 1 10 3981 1 1 3 ILE CB C -5.949 6.265 -6.475 1.00 . A A . 3 ILE CB 1 1 10 3982 1 1 3 ILE CD1 C -6.073 4.276 -8.033 1.00 . A A . 3 ILE CD1 1 1 10 3983 1 1 3 ILE CG1 C -5.144 5.337 -7.440 1.00 . A A . 3 ILE CG1 1 1 10 3984 1 1 3 ILE CG2 C -6.162 7.641 -7.139 1.00 . A A . 3 ILE CG2 1 1 10 3985 1 1 3 ILE H H -3.451 6.609 -6.378 1.00 . A A . 3 ILE H 1 1 10 3986 1 1 3 ILE HA H -5.611 7.266 -4.590 1.00 . A A . 3 ILE HA 1 1 10 3987 1 1 3 ILE HB H -6.910 5.831 -6.257 1.00 . A A . 3 ILE HB 1 1 10 3988 1 1 3 ILE HD11 H -6.890 4.751 -8.554 1.00 . A A . 3 ILE HD11 1 1 10 3989 1 1 3 ILE HD12 H -5.522 3.658 -8.725 1.00 . A A . 3 ILE HD12 1 1 10 3990 1 1 3 ILE HD13 H -6.469 3.654 -7.244 1.00 . A A . 3 ILE HD13 1 1 10 3991 1 1 3 ILE HG12 H -4.700 5.905 -8.243 1.00 . A A . 3 ILE HG12 1 1 10 3992 1 1 3 ILE HG13 H -4.348 4.840 -6.906 1.00 . A A . 3 ILE HG13 1 1 10 3993 1 1 3 ILE HG21 H -5.211 8.120 -7.328 1.00 . A A . 3 ILE HG21 1 1 10 3994 1 1 3 ILE HG22 H -6.681 7.521 -8.078 1.00 . A A . 3 ILE HG22 1 1 10 3995 1 1 3 ILE HG23 H -6.752 8.277 -6.496 1.00 . A A . 3 ILE HG23 1 1 10 3996 1 1 3 ILE N N -3.773 6.803 -5.473 1.00 . A A . 3 ILE N 1 1 10 3997 1 1 3 ILE O O -4.367 4.336 -4.372 1.00 . A A . 3 ILE O 1 1 10 3998 1 1 4 HYP C C -6.628 2.495 -3.844 1.00 . A A . 4 HYP C 1 1 10 3999 1 1 4 HYP CA C -6.684 3.702 -2.892 1.00 . A A . 4 HYP CA 1 1 10 4000 1 1 4 HYP CB C -8.092 3.902 -2.321 1.00 . A A . 4 HYP CB 1 1 10 4001 1 1 4 HYP CD C -7.286 6.092 -3.214 1.00 . A A . 4 HYP CD 1 1 10 4002 1 1 4 HYP CG C -8.321 5.436 -2.276 1.00 . A A . 4 HYP CG 1 1 10 4003 1 1 4 HYP HA H -5.997 3.529 -2.079 1.00 . A A . 4 HYP HA 1 1 10 4004 1 1 4 HYP HB2 H -8.182 3.453 -1.345 1.00 . A A . 4 HYP HB2 1 1 10 4005 1 1 4 HYP HB3 H -8.828 3.454 -2.974 1.00 . A A . 4 HYP HB3 1 1 10 4006 1 1 4 HYP HD1 H -7.591 6.718 -0.996 1.00 . A A . 4 HYP HD1 1 1 10 4007 1 1 4 HYP HD22 H -6.760 6.906 -2.734 1.00 . A A . 4 HYP HD22 1 1 10 4008 1 1 4 HYP HD23 H -7.760 6.440 -4.120 1.00 . A A . 4 HYP HD23 1 1 10 4009 1 1 4 HYP HG H -9.340 5.729 -2.483 1.00 . A A . 4 HYP HG 1 1 10 4010 1 1 4 HYP N N -6.326 5.000 -3.537 1.00 . A A . 4 HYP N 1 1 10 4011 1 1 4 HYP O O -6.819 2.642 -5.033 1.00 . A A . 4 HYP O 1 1 10 4012 1 1 4 HYP OD1 O -7.945 5.827 -0.962 1.00 . A A . 4 HYP OD1 1 1 10 4013 1 1 5 ASN C C -5.170 -0.082 -5.043 1.00 . A A . 5 ASN C 1 1 10 4014 1 1 5 ASN CA C -6.253 0.028 -3.954 1.00 . A A . 5 ASN CA 1 1 10 4015 1 1 5 ASN CB C -7.678 -0.332 -4.552 1.00 . A A . 5 ASN CB 1 1 10 4016 1 1 5 ASN CG C -7.907 -0.086 -6.067 1.00 . A A . 5 ASN CG 1 1 10 4017 1 1 5 ASN H H -6.226 1.370 -2.286 1.00 . A A . 5 ASN H 1 1 10 4018 1 1 5 ASN HA H -6.022 -0.709 -3.200 1.00 . A A . 5 ASN HA 1 1 10 4019 1 1 5 ASN HB2 H -7.858 -1.381 -4.364 1.00 . A A . 5 ASN HB2 1 1 10 4020 1 1 5 ASN HB3 H -8.432 0.224 -4.014 1.00 . A A . 5 ASN HB3 1 1 10 4021 1 1 5 ASN HD21 H -6.414 1.199 -6.360 1.00 . A A . 5 ASN HD21 1 1 10 4022 1 1 5 ASN HD22 H -7.347 0.843 -7.727 1.00 . A A . 5 ASN HD22 1 1 10 4023 1 1 5 ASN N N -6.362 1.355 -3.255 1.00 . A A . 5 ASN N 1 1 10 4024 1 1 5 ASN ND2 N -7.160 0.719 -6.773 1.00 . A A . 5 ASN ND2 1 1 10 4025 1 1 5 ASN O O -5.025 -1.135 -5.634 1.00 . A A . 5 ASN O 1 1 10 4026 1 1 5 ASN OD1 O -8.815 -0.656 -6.638 1.00 . A A . 5 ASN OD1 1 1 10 4027 1 1 6 GLN C C -2.097 0.293 -5.785 1.00 . A A . 6 GLN C 1 1 10 4028 1 1 6 GLN CA C -3.376 0.932 -6.335 1.00 . A A . 6 GLN CA 1 1 10 4029 1 1 6 GLN CB C -3.100 2.366 -6.810 1.00 . A A . 6 GLN CB 1 1 10 4030 1 1 6 GLN CD C -2.692 1.592 -9.187 1.00 . A A . 6 GLN CD 1 1 10 4031 1 1 6 GLN CG C -2.114 2.378 -8.002 1.00 . A A . 6 GLN CG 1 1 10 4032 1 1 6 GLN H H -4.593 1.812 -4.793 1.00 . A A . 6 GLN H 1 1 10 4033 1 1 6 GLN HA H -3.738 0.337 -7.162 1.00 . A A . 6 GLN HA 1 1 10 4034 1 1 6 GLN HB2 H -4.036 2.803 -7.118 1.00 . A A . 6 GLN HB2 1 1 10 4035 1 1 6 GLN HB3 H -2.697 2.953 -5.998 1.00 . A A . 6 GLN HB3 1 1 10 4036 1 1 6 GLN HE21 H -3.821 3.105 -9.796 1.00 . A A . 6 GLN HE21 1 1 10 4037 1 1 6 GLN HE22 H -3.938 1.695 -10.731 1.00 . A A . 6 GLN HE22 1 1 10 4038 1 1 6 GLN HG2 H -1.953 3.394 -8.326 1.00 . A A . 6 GLN HG2 1 1 10 4039 1 1 6 GLN HG3 H -1.166 1.948 -7.718 1.00 . A A . 6 GLN HG3 1 1 10 4040 1 1 6 GLN N N -4.443 0.980 -5.289 1.00 . A A . 6 GLN N 1 1 10 4041 1 1 6 GLN NE2 N -3.555 2.179 -9.969 1.00 . A A . 6 GLN NE2 1 1 10 4042 1 1 6 GLN O O -1.684 0.586 -4.680 1.00 . A A . 6 GLN O 1 1 10 4043 1 1 6 GLN OE1 O -2.362 0.443 -9.406 1.00 . A A . 6 GLN OE1 1 1 10 4044 1 1 7 LYS C C 0.826 -0.344 -5.664 1.00 . A A . 7 LYS C 1 1 10 4045 1 1 7 LYS CA C -0.262 -1.281 -6.222 1.00 . A A . 7 LYS CA 1 1 10 4046 1 1 7 LYS CB C 0.266 -2.020 -7.476 1.00 . A A . 7 LYS CB 1 1 10 4047 1 1 7 LYS CD C 0.057 -4.442 -6.699 1.00 . A A . 7 LYS CD 1 1 10 4048 1 1 7 LYS CE C 1.021 -5.374 -7.456 1.00 . A A . 7 LYS CE 1 1 10 4049 1 1 7 LYS CG C -0.504 -3.352 -7.658 1.00 . A A . 7 LYS CG 1 1 10 4050 1 1 7 LYS H H -1.923 -0.729 -7.471 1.00 . A A . 7 LYS H 1 1 10 4051 1 1 7 LYS HA H -0.511 -2.008 -5.468 1.00 . A A . 7 LYS HA 1 1 10 4052 1 1 7 LYS HB2 H 0.121 -1.399 -8.349 1.00 . A A . 7 LYS HB2 1 1 10 4053 1 1 7 LYS HB3 H 1.323 -2.217 -7.373 1.00 . A A . 7 LYS HB3 1 1 10 4054 1 1 7 LYS HD2 H 0.583 -3.991 -5.870 1.00 . A A . 7 LYS HD2 1 1 10 4055 1 1 7 LYS HD3 H -0.760 -5.027 -6.302 1.00 . A A . 7 LYS HD3 1 1 10 4056 1 1 7 LYS HE2 H 1.339 -6.180 -6.810 1.00 . A A . 7 LYS HE2 1 1 10 4057 1 1 7 LYS HE3 H 0.537 -5.796 -8.326 1.00 . A A . 7 LYS HE3 1 1 10 4058 1 1 7 LYS HG2 H -1.553 -3.198 -7.447 1.00 . A A . 7 LYS HG2 1 1 10 4059 1 1 7 LYS HG3 H -0.417 -3.675 -8.685 1.00 . A A . 7 LYS HG3 1 1 10 4060 1 1 7 LYS HZ1 H 2.494 -3.930 -7.164 1.00 . A A . 7 LYS HZ1 1 1 10 4061 1 1 7 LYS HZ2 H 3.013 -5.279 -8.058 1.00 . A A . 7 LYS HZ2 1 1 10 4062 1 1 7 LYS HZ3 H 2.013 -4.113 -8.782 1.00 . A A . 7 LYS HZ3 1 1 10 4063 1 1 7 LYS N N -1.519 -0.560 -6.594 1.00 . A A . 7 LYS N 1 1 10 4064 1 1 7 LYS NZ N 2.227 -4.617 -7.898 1.00 . A A . 7 LYS NZ 1 1 10 4065 1 1 7 LYS O O 1.455 0.395 -6.396 1.00 . A A . 7 LYS O 1 1 10 4066 1 1 8 CYS C C 2.815 -0.444 -2.664 1.00 . A A . 8 CYS C 1 1 10 4067 1 1 8 CYS CA C 2.003 0.411 -3.641 1.00 . A A . 8 CYS CA 1 1 10 4068 1 1 8 CYS CB C 1.272 1.504 -2.882 1.00 . A A . 8 CYS CB 1 1 10 4069 1 1 8 CYS H H 0.436 -1.039 -3.852 1.00 . A A . 8 CYS H 1 1 10 4070 1 1 8 CYS HA H 2.684 0.856 -4.353 1.00 . A A . 8 CYS HA 1 1 10 4071 1 1 8 CYS HB2 H 2.002 2.107 -2.363 1.00 . A A . 8 CYS HB2 1 1 10 4072 1 1 8 CYS HB3 H 0.784 2.137 -3.607 1.00 . A A . 8 CYS HB3 1 1 10 4073 1 1 8 CYS N N 0.993 -0.420 -4.366 1.00 . A A . 8 CYS N 1 1 10 4074 1 1 8 CYS O O 2.441 -1.554 -2.336 1.00 . A A . 8 CYS O 1 1 10 4075 1 1 8 CYS SG S 0.018 1.016 -1.672 1.00 . A A . 8 CYS SG 1 1 10 4076 1 1 9 PHE C C 4.433 -0.288 0.179 1.00 . A A . 9 PHE C 1 1 10 4077 1 1 9 PHE CA C 4.819 -0.585 -1.271 1.00 . A A . 9 PHE CA 1 1 10 4078 1 1 9 PHE CB C 6.254 -0.121 -1.511 1.00 . A A . 9 PHE CB 1 1 10 4079 1 1 9 PHE CD1 C 6.482 0.423 -3.979 1.00 . A A . 9 PHE CD1 1 1 10 4080 1 1 9 PHE CD2 C 7.291 -1.687 -3.212 1.00 . A A . 9 PHE CD2 1 1 10 4081 1 1 9 PHE CE1 C 6.873 0.105 -5.263 1.00 . A A . 9 PHE CE1 1 1 10 4082 1 1 9 PHE CE2 C 7.681 -2.004 -4.497 1.00 . A A . 9 PHE CE2 1 1 10 4083 1 1 9 PHE CG C 6.689 -0.471 -2.943 1.00 . A A . 9 PHE CG 1 1 10 4084 1 1 9 PHE CZ C 7.472 -1.109 -5.523 1.00 . A A . 9 PHE CZ 1 1 10 4085 1 1 9 PHE H H 4.146 1.020 -2.538 1.00 . A A . 9 PHE H 1 1 10 4086 1 1 9 PHE HA H 4.753 -1.651 -1.439 1.00 . A A . 9 PHE HA 1 1 10 4087 1 1 9 PHE HB2 H 6.301 0.948 -1.384 1.00 . A A . 9 PHE HB2 1 1 10 4088 1 1 9 PHE HB3 H 6.930 -0.589 -0.809 1.00 . A A . 9 PHE HB3 1 1 10 4089 1 1 9 PHE HD1 H 6.013 1.377 -3.784 1.00 . A A . 9 PHE HD1 1 1 10 4090 1 1 9 PHE HD2 H 7.459 -2.395 -2.414 1.00 . A A . 9 PHE HD2 1 1 10 4091 1 1 9 PHE HE1 H 6.709 0.808 -6.067 1.00 . A A . 9 PHE HE1 1 1 10 4092 1 1 9 PHE HE2 H 8.151 -2.956 -4.699 1.00 . A A . 9 PHE HE2 1 1 10 4093 1 1 9 PHE HZ H 7.778 -1.358 -6.529 1.00 . A A . 9 PHE HZ 1 1 10 4094 1 1 9 PHE N N 3.912 0.119 -2.229 1.00 . A A . 9 PHE N 1 1 10 4095 1 1 9 PHE O O 4.074 0.827 0.512 1.00 . A A . 9 PHE O 1 1 10 4096 1 1 10 GLN C C 5.080 -0.118 3.076 1.00 . A A . 10 GLN C 1 1 10 4097 1 1 10 GLN CA C 4.186 -1.187 2.438 1.00 . A A . 10 GLN CA 1 1 10 4098 1 1 10 GLN CB C 4.425 -2.543 3.147 1.00 . A A . 10 GLN CB 1 1 10 4099 1 1 10 GLN CD C 2.071 -3.325 2.717 1.00 . A A . 10 GLN CD 1 1 10 4100 1 1 10 GLN CG C 3.553 -3.660 2.526 1.00 . A A . 10 GLN CG 1 1 10 4101 1 1 10 GLN H H 4.806 -2.178 0.658 1.00 . A A . 10 GLN H 1 1 10 4102 1 1 10 GLN HA H 3.157 -0.894 2.508 1.00 . A A . 10 GLN HA 1 1 10 4103 1 1 10 GLN HB2 H 5.466 -2.816 3.052 1.00 . A A . 10 GLN HB2 1 1 10 4104 1 1 10 GLN HB3 H 4.200 -2.443 4.199 1.00 . A A . 10 GLN HB3 1 1 10 4105 1 1 10 GLN HE21 H 1.775 -2.982 0.787 1.00 . A A . 10 GLN HE21 1 1 10 4106 1 1 10 GLN HE22 H 0.418 -2.766 1.780 1.00 . A A . 10 GLN HE22 1 1 10 4107 1 1 10 GLN HG2 H 3.758 -3.763 1.470 1.00 . A A . 10 GLN HG2 1 1 10 4108 1 1 10 GLN HG3 H 3.759 -4.602 3.011 1.00 . A A . 10 GLN HG3 1 1 10 4109 1 1 10 GLN N N 4.521 -1.310 0.994 1.00 . A A . 10 GLN N 1 1 10 4110 1 1 10 GLN NE2 N 1.363 -2.997 1.675 1.00 . A A . 10 GLN NE2 1 1 10 4111 1 1 10 GLN O O 4.612 0.798 3.723 1.00 . A A . 10 GLN O 1 1 10 4112 1 1 10 GLN OE1 O 1.548 -3.359 3.813 1.00 . A A . 10 GLN OE1 1 1 10 4113 1 1 11 HIS C C 7.314 1.994 2.689 1.00 . A A . 11 HIS C 1 1 10 4114 1 1 11 HIS CA C 7.390 0.631 3.381 1.00 . A A . 11 HIS CA 1 1 10 4115 1 1 11 HIS CB C 8.765 -0.011 3.156 1.00 . A A . 11 HIS CB 1 1 10 4116 1 1 11 HIS CD2 C 10.189 0.619 5.286 1.00 . A A . 11 HIS CD2 1 1 10 4117 1 1 11 HIS CE1 C 11.302 2.163 4.461 1.00 . A A . 11 HIS CE1 1 1 10 4118 1 1 11 HIS CG C 9.804 0.760 3.967 1.00 . A A . 11 HIS CG 1 1 10 4119 1 1 11 HIS H H 6.637 -1.067 2.308 1.00 . A A . 11 HIS H 1 1 10 4120 1 1 11 HIS HA H 7.217 0.768 4.437 1.00 . A A . 11 HIS HA 1 1 10 4121 1 1 11 HIS HB2 H 8.758 -1.039 3.489 1.00 . A A . 11 HIS HB2 1 1 10 4122 1 1 11 HIS HB3 H 9.041 0.016 2.112 1.00 . A A . 11 HIS HB3 1 1 10 4123 1 1 11 HIS HD1 H 10.498 2.081 2.602 1.00 . A A . 11 HIS HD1 1 1 10 4124 1 1 11 HIS HD2 H 9.778 -0.109 5.970 1.00 . A A . 11 HIS HD2 1 1 10 4125 1 1 11 HIS HE1 H 12.007 2.972 4.342 1.00 . A A . 11 HIS HE1 1 1 10 4126 1 1 11 HIS N N 6.356 -0.299 2.847 1.00 . A A . 11 HIS N 1 1 10 4127 1 1 11 HIS ND1 N 10.529 1.729 3.517 1.00 . A A . 11 HIS ND1 1 1 10 4128 1 1 11 HIS NE2 N 11.123 1.501 5.579 1.00 . A A . 11 HIS NE2 1 1 10 4129 1 1 11 HIS O O 7.195 3.014 3.341 1.00 . A A . 11 HIS O 1 1 10 4130 1 1 12 LEU C C 5.863 3.457 0.200 1.00 . A A . 12 LEU C 1 1 10 4131 1 1 12 LEU CA C 7.322 3.209 0.574 1.00 . A A . 12 LEU CA 1 1 10 4132 1 1 12 LEU CB C 8.216 3.034 -0.687 1.00 . A A . 12 LEU CB 1 1 10 4133 1 1 12 LEU CD1 C 10.498 2.312 -1.489 1.00 . A A . 12 LEU CD1 1 1 10 4134 1 1 12 LEU CD2 C 10.313 4.135 0.243 1.00 . A A . 12 LEU CD2 1 1 10 4135 1 1 12 LEU CG C 9.696 2.809 -0.267 1.00 . A A . 12 LEU CG 1 1 10 4136 1 1 12 LEU H H 7.476 1.090 0.939 1.00 . A A . 12 LEU H 1 1 10 4137 1 1 12 LEU HA H 7.655 4.051 1.159 1.00 . A A . 12 LEU HA 1 1 10 4138 1 1 12 LEU HB2 H 7.880 2.192 -1.269 1.00 . A A . 12 LEU HB2 1 1 10 4139 1 1 12 LEU HB3 H 8.141 3.920 -1.303 1.00 . A A . 12 LEU HB3 1 1 10 4140 1 1 12 LEU HD11 H 10.408 3.008 -2.310 1.00 . A A . 12 LEU HD11 1 1 10 4141 1 1 12 LEU HD12 H 11.542 2.210 -1.233 1.00 . A A . 12 LEU HD12 1 1 10 4142 1 1 12 LEU HD13 H 10.126 1.348 -1.807 1.00 . A A . 12 LEU HD13 1 1 10 4143 1 1 12 LEU HD21 H 10.094 4.942 -0.441 1.00 . A A . 12 LEU HD21 1 1 10 4144 1 1 12 LEU HD22 H 9.908 4.384 1.213 1.00 . A A . 12 LEU HD22 1 1 10 4145 1 1 12 LEU HD23 H 11.385 4.039 0.335 1.00 . A A . 12 LEU HD23 1 1 10 4146 1 1 12 LEU HG H 9.753 2.064 0.514 1.00 . A A . 12 LEU HG 1 1 10 4147 1 1 12 LEU N N 7.384 1.956 1.383 1.00 . A A . 12 LEU N 1 1 10 4148 1 1 12 LEU O O 5.456 3.377 -0.944 1.00 . A A . 12 LEU O 1 1 10 4149 1 1 13 ASP C C 3.513 5.368 0.360 1.00 . A A . 13 ASP C 1 1 10 4150 1 1 13 ASP CA C 3.671 4.035 1.099 1.00 . A A . 13 ASP CA 1 1 10 4151 1 1 13 ASP CB C 3.034 4.104 2.507 1.00 . A A . 13 ASP CB 1 1 10 4152 1 1 13 ASP CG C 1.598 3.557 2.436 1.00 . A A . 13 ASP CG 1 1 10 4153 1 1 13 ASP H H 5.543 3.784 2.125 1.00 . A A . 13 ASP H 1 1 10 4154 1 1 13 ASP HA H 3.220 3.246 0.513 1.00 . A A . 13 ASP HA 1 1 10 4155 1 1 13 ASP HB2 H 3.611 3.508 3.200 1.00 . A A . 13 ASP HB2 1 1 10 4156 1 1 13 ASP HB3 H 2.998 5.117 2.880 1.00 . A A . 13 ASP HB3 1 1 10 4157 1 1 13 ASP N N 5.124 3.752 1.240 1.00 . A A . 13 ASP N 1 1 10 4158 1 1 13 ASP O O 3.596 6.439 0.930 1.00 . A A . 13 ASP O 1 1 10 4159 1 1 13 ASP OD1 O 0.833 4.107 1.658 1.00 . A A . 13 ASP OD1 1 1 10 4160 1 1 13 ASP OD2 O 1.349 2.614 3.169 1.00 . A A . 13 ASP OD2 1 1 10 4161 1 1 14 ASP C C 1.631 6.830 -1.906 1.00 . A A . 14 ASP C 1 1 10 4162 1 1 14 ASP CA C 3.102 6.384 -1.831 1.00 . A A . 14 ASP CA 1 1 10 4163 1 1 14 ASP CB C 3.611 5.952 -3.217 1.00 . A A . 14 ASP CB 1 1 10 4164 1 1 14 ASP CG C 3.054 4.554 -3.569 1.00 . A A . 14 ASP CG 1 1 10 4165 1 1 14 ASP H H 3.242 4.320 -1.288 1.00 . A A . 14 ASP H 1 1 10 4166 1 1 14 ASP HA H 3.696 7.213 -1.475 1.00 . A A . 14 ASP HA 1 1 10 4167 1 1 14 ASP HB2 H 3.285 6.653 -3.965 1.00 . A A . 14 ASP HB2 1 1 10 4168 1 1 14 ASP HB3 H 4.692 5.919 -3.219 1.00 . A A . 14 ASP HB3 1 1 10 4169 1 1 14 ASP N N 3.287 5.223 -0.914 1.00 . A A . 14 ASP N 1 1 10 4170 1 1 14 ASP O O 1.327 7.824 -2.536 1.00 . A A . 14 ASP O 1 1 10 4171 1 1 14 ASP OD1 O 1.889 4.509 -3.933 1.00 . A A . 14 ASP OD1 1 1 10 4172 1 1 14 ASP OD2 O 3.823 3.611 -3.454 1.00 . A A . 14 ASP OD2 1 1 10 4173 1 1 15 CYS C C -1.021 7.743 -0.589 1.00 . A A . 15 CYS C 1 1 10 4174 1 1 15 CYS CA C -0.690 6.408 -1.254 1.00 . A A . 15 CYS CA 1 1 10 4175 1 1 15 CYS CB C -1.417 5.289 -0.531 1.00 . A A . 15 CYS CB 1 1 10 4176 1 1 15 CYS H H 1.071 5.298 -0.766 1.00 . A A . 15 CYS H 1 1 10 4177 1 1 15 CYS HA H -1.037 6.440 -2.275 1.00 . A A . 15 CYS HA 1 1 10 4178 1 1 15 CYS HB2 H -1.272 5.403 0.534 1.00 . A A . 15 CYS HB2 1 1 10 4179 1 1 15 CYS HB3 H -2.472 5.374 -0.726 1.00 . A A . 15 CYS HB3 1 1 10 4180 1 1 15 CYS N N 0.768 6.086 -1.260 1.00 . A A . 15 CYS N 1 1 10 4181 1 1 15 CYS O O -0.255 8.269 0.196 1.00 . A A . 15 CYS O 1 1 10 4182 1 1 15 CYS SG S -0.907 3.614 -0.971 1.00 . A A . 15 CYS SG 1 1 10 4183 1 1 16 CYS C C -3.096 9.231 1.049 1.00 . A A . 16 CYS C 1 1 10 4184 1 1 16 CYS CA C -2.676 9.529 -0.395 1.00 . A A . 16 CYS CA 1 1 10 4185 1 1 16 CYS CB C -3.875 10.002 -1.239 1.00 . A A . 16 CYS CB 1 1 10 4186 1 1 16 CYS H H -2.731 7.740 -1.582 1.00 . A A . 16 CYS H 1 1 10 4187 1 1 16 CYS HA H -1.876 10.253 -0.392 1.00 . A A . 16 CYS HA 1 1 10 4188 1 1 16 CYS HB2 H -3.768 9.618 -2.240 1.00 . A A . 16 CYS HB2 1 1 10 4189 1 1 16 CYS HB3 H -4.788 9.593 -0.831 1.00 . A A . 16 CYS HB3 1 1 10 4190 1 1 16 CYS N N -2.180 8.234 -0.944 1.00 . A A . 16 CYS N 1 1 10 4191 1 1 16 CYS O O -2.936 10.044 1.940 1.00 . A A . 16 CYS O 1 1 10 4192 1 1 16 CYS SG S -4.088 11.791 -1.386 1.00 . A A . 16 CYS SG 1 1 10 4193 1 1 17 SER C C -2.888 7.020 3.337 1.00 . A A . 17 SER C 1 1 10 4194 1 1 17 SER CA C -4.093 7.544 2.531 1.00 . A A . 17 SER CA 1 1 10 4195 1 1 17 SER CB C -5.101 6.424 2.270 1.00 . A A . 17 SER CB 1 1 10 4196 1 1 17 SER H H -3.726 7.443 0.444 1.00 . A A . 17 SER H 1 1 10 4197 1 1 17 SER HA H -4.561 8.353 3.076 1.00 . A A . 17 SER HA 1 1 10 4198 1 1 17 SER HB2 H -5.581 6.114 3.180 1.00 . A A . 17 SER HB2 1 1 10 4199 1 1 17 SER HB3 H -5.841 6.716 1.539 1.00 . A A . 17 SER HB3 1 1 10 4200 1 1 17 SER HG H -3.816 5.677 1.009 1.00 . A A . 17 SER HG 1 1 10 4201 1 1 17 SER N N -3.624 8.043 1.212 1.00 . A A . 17 SER N 1 1 10 4202 1 1 17 SER O O -3.064 6.546 4.442 1.00 . A A . 17 SER O 1 1 10 4203 1 1 17 SER OG O -4.322 5.350 1.756 1.00 . A A . 17 SER OG 1 1 10 4204 1 1 18 ARG C C -0.534 5.298 4.008 1.00 . A A . 18 ARG C 1 1 10 4205 1 1 18 ARG CA C -0.422 6.679 3.336 1.00 . A A . 18 ARG CA 1 1 10 4206 1 1 18 ARG CB C 0.056 7.765 4.361 1.00 . A A . 18 ARG CB 1 1 10 4207 1 1 18 ARG CD C -0.063 8.461 6.782 1.00 . A A . 18 ARG CD 1 1 10 4208 1 1 18 ARG CG C -0.858 7.872 5.610 1.00 . A A . 18 ARG CG 1 1 10 4209 1 1 18 ARG CZ C 1.136 7.334 8.563 1.00 . A A . 18 ARG CZ 1 1 10 4210 1 1 18 ARG H H -1.694 7.526 1.841 1.00 . A A . 18 ARG H 1 1 10 4211 1 1 18 ARG HA H 0.304 6.606 2.540 1.00 . A A . 18 ARG HA 1 1 10 4212 1 1 18 ARG HB2 H 1.065 7.526 4.663 1.00 . A A . 18 ARG HB2 1 1 10 4213 1 1 18 ARG HB3 H 0.079 8.724 3.862 1.00 . A A . 18 ARG HB3 1 1 10 4214 1 1 18 ARG HD2 H 0.520 9.315 6.468 1.00 . A A . 18 ARG HD2 1 1 10 4215 1 1 18 ARG HD3 H -0.737 8.760 7.573 1.00 . A A . 18 ARG HD3 1 1 10 4216 1 1 18 ARG HE H 1.252 6.755 6.667 1.00 . A A . 18 ARG HE 1 1 10 4217 1 1 18 ARG HG2 H -1.699 8.514 5.394 1.00 . A A . 18 ARG HG2 1 1 10 4218 1 1 18 ARG HG3 H -1.228 6.902 5.907 1.00 . A A . 18 ARG HG3 1 1 10 4219 1 1 18 ARG HH11 H -0.482 6.230 8.973 1.00 . A A . 18 ARG HH11 1 1 10 4220 1 1 18 ARG HH12 H 0.528 6.613 10.328 1.00 . A A . 18 ARG HH12 1 1 10 4221 1 1 18 ARG HH21 H 2.799 8.428 8.369 1.00 . A A . 18 ARG HH21 1 1 10 4222 1 1 18 ARG HH22 H 2.437 7.892 9.976 1.00 . A A . 18 ARG HH22 1 1 10 4223 1 1 18 ARG N N -1.721 7.128 2.736 1.00 . A A . 18 ARG N 1 1 10 4224 1 1 18 ARG NE N 0.858 7.400 7.290 1.00 . A A . 18 ARG NE 1 1 10 4225 1 1 18 ARG NH1 N 0.331 6.674 9.349 1.00 . A A . 18 ARG NH1 1 1 10 4226 1 1 18 ARG NH2 N 2.207 7.931 9.005 1.00 . A A . 18 ARG NH2 1 1 10 4227 1 1 18 ARG O O 0.169 4.989 4.951 1.00 . A A . 18 ARG O 1 1 10 4228 1 1 19 LYS C C -1.779 2.155 2.798 1.00 . A A . 19 LYS C 1 1 10 4229 1 1 19 LYS CA C -1.691 3.138 3.976 1.00 . A A . 19 LYS CA 1 1 10 4230 1 1 19 LYS CB C -3.008 3.177 4.747 1.00 . A A . 19 LYS CB 1 1 10 4231 1 1 19 LYS CD C -4.098 3.523 7.001 1.00 . A A . 19 LYS CD 1 1 10 4232 1 1 19 LYS CE C -4.919 4.789 6.694 1.00 . A A . 19 LYS CE 1 1 10 4233 1 1 19 LYS CG C -2.760 3.547 6.226 1.00 . A A . 19 LYS CG 1 1 10 4234 1 1 19 LYS H H -1.965 4.813 2.707 1.00 . A A . 19 LYS H 1 1 10 4235 1 1 19 LYS HA H -0.883 2.831 4.624 1.00 . A A . 19 LYS HA 1 1 10 4236 1 1 19 LYS HB2 H -3.659 3.912 4.296 1.00 . A A . 19 LYS HB2 1 1 10 4237 1 1 19 LYS HB3 H -3.485 2.219 4.666 1.00 . A A . 19 LYS HB3 1 1 10 4238 1 1 19 LYS HD2 H -4.669 2.645 6.731 1.00 . A A . 19 LYS HD2 1 1 10 4239 1 1 19 LYS HD3 H -3.894 3.481 8.061 1.00 . A A . 19 LYS HD3 1 1 10 4240 1 1 19 LYS HE2 H -4.341 5.677 6.900 1.00 . A A . 19 LYS HE2 1 1 10 4241 1 1 19 LYS HE3 H -5.227 4.802 5.658 1.00 . A A . 19 LYS HE3 1 1 10 4242 1 1 19 LYS HG2 H -2.082 2.833 6.671 1.00 . A A . 19 LYS HG2 1 1 10 4243 1 1 19 LYS HG3 H -2.313 4.529 6.291 1.00 . A A . 19 LYS HG3 1 1 10 4244 1 1 19 LYS HZ1 H -6.621 3.891 7.486 1.00 . A A . 19 LYS HZ1 1 1 10 4245 1 1 19 LYS HZ2 H -5.870 4.996 8.534 1.00 . A A . 19 LYS HZ2 1 1 10 4246 1 1 19 LYS HZ3 H -6.782 5.560 7.216 1.00 . A A . 19 LYS HZ3 1 1 10 4247 1 1 19 LYS N N -1.432 4.509 3.469 1.00 . A A . 19 LYS N 1 1 10 4248 1 1 19 LYS NZ N -6.141 4.812 7.547 1.00 . A A . 19 LYS NZ 1 1 10 4249 1 1 19 LYS O O -2.541 2.372 1.876 1.00 . A A . 19 LYS O 1 1 10 4250 1 1 20 CYS C C -1.274 -1.261 2.518 1.00 . A A . 20 CYS C 1 1 10 4251 1 1 20 CYS CA C -0.955 0.067 1.817 1.00 . A A . 20 CYS CA 1 1 10 4252 1 1 20 CYS CB C 0.441 0.069 1.204 1.00 . A A . 20 CYS CB 1 1 10 4253 1 1 20 CYS H H -0.381 0.992 3.624 1.00 . A A . 20 CYS H 1 1 10 4254 1 1 20 CYS HA H -1.711 0.277 1.078 1.00 . A A . 20 CYS HA 1 1 10 4255 1 1 20 CYS HB2 H 1.171 0.061 2.000 1.00 . A A . 20 CYS HB2 1 1 10 4256 1 1 20 CYS HB3 H 0.556 -0.838 0.648 1.00 . A A . 20 CYS HB3 1 1 10 4257 1 1 20 CYS N N -0.988 1.112 2.869 1.00 . A A . 20 CYS N 1 1 10 4258 1 1 20 CYS O O -0.587 -1.637 3.449 1.00 . A A . 20 CYS O 1 1 10 4259 1 1 20 CYS SG S 0.816 1.474 0.128 1.00 . A A . 20 CYS SG 1 1 10 4260 1 1 21 ASN C C -1.867 -4.447 2.214 1.00 . A A . 21 ASN C 1 1 10 4261 1 1 21 ASN CA C -2.700 -3.235 2.674 1.00 . A A . 21 ASN CA 1 1 10 4262 1 1 21 ASN CB C -4.197 -3.462 2.366 1.00 . A A . 21 ASN CB 1 1 10 4263 1 1 21 ASN CG C -4.376 -3.783 0.888 1.00 . A A . 21 ASN CG 1 1 10 4264 1 1 21 ASN H H -2.813 -1.576 1.301 1.00 . A A . 21 ASN H 1 1 10 4265 1 1 21 ASN HA H -2.594 -3.148 3.747 1.00 . A A . 21 ASN HA 1 1 10 4266 1 1 21 ASN HB2 H -4.585 -4.281 2.953 1.00 . A A . 21 ASN HB2 1 1 10 4267 1 1 21 ASN HB3 H -4.764 -2.572 2.599 1.00 . A A . 21 ASN HB3 1 1 10 4268 1 1 21 ASN HD21 H -4.046 -1.910 0.309 1.00 . A A . 21 ASN HD21 1 1 10 4269 1 1 21 ASN HD22 H -4.356 -3.031 -0.927 1.00 . A A . 21 ASN HD22 1 1 10 4270 1 1 21 ASN N N -2.300 -1.930 2.057 1.00 . A A . 21 ASN N 1 1 10 4271 1 1 21 ASN ND2 N -4.248 -2.825 0.018 1.00 . A A . 21 ASN ND2 1 1 10 4272 1 1 21 ASN O O -0.918 -4.331 1.464 1.00 . A A . 21 ASN O 1 1 10 4273 1 1 21 ASN OD1 O -4.632 -4.907 0.510 1.00 . A A . 21 ASN OD1 1 1 10 4274 1 1 22 ARG C C -1.488 -7.292 0.948 1.00 . A A . 22 ARG C 1 1 10 4275 1 1 22 ARG CA C -1.654 -6.899 2.422 1.00 . A A . 22 ARG CA 1 1 10 4276 1 1 22 ARG CB C -2.481 -7.970 3.158 1.00 . A A . 22 ARG CB 1 1 10 4277 1 1 22 ARG CD C -4.981 -8.105 3.600 1.00 . A A . 22 ARG CD 1 1 10 4278 1 1 22 ARG CG C -3.894 -8.120 2.516 1.00 . A A . 22 ARG CG 1 1 10 4279 1 1 22 ARG CZ C -5.620 -9.516 5.459 1.00 . A A . 22 ARG CZ 1 1 10 4280 1 1 22 ARG H H -3.076 -5.570 3.279 1.00 . A A . 22 ARG H 1 1 10 4281 1 1 22 ARG HA H -0.673 -6.854 2.864 1.00 . A A . 22 ARG HA 1 1 10 4282 1 1 22 ARG HB2 H -1.962 -8.914 3.107 1.00 . A A . 22 ARG HB2 1 1 10 4283 1 1 22 ARG HB3 H -2.565 -7.692 4.200 1.00 . A A . 22 ARG HB3 1 1 10 4284 1 1 22 ARG HD2 H -4.925 -7.199 4.186 1.00 . A A . 22 ARG HD2 1 1 10 4285 1 1 22 ARG HD3 H -5.958 -8.176 3.145 1.00 . A A . 22 ARG HD3 1 1 10 4286 1 1 22 ARG HE H -4.007 -9.876 4.355 1.00 . A A . 22 ARG HE 1 1 10 4287 1 1 22 ARG HG2 H -4.093 -7.316 1.823 1.00 . A A . 22 ARG HG2 1 1 10 4288 1 1 22 ARG HG3 H -3.940 -9.054 1.978 1.00 . A A . 22 ARG HG3 1 1 10 4289 1 1 22 ARG HH11 H -6.830 -10.595 4.289 1.00 . A A . 22 ARG HH11 1 1 10 4290 1 1 22 ARG HH12 H -7.338 -10.424 5.936 1.00 . A A . 22 ARG HH12 1 1 10 4291 1 1 22 ARG HH21 H -4.555 -8.476 6.797 1.00 . A A . 22 ARG HH21 1 1 10 4292 1 1 22 ARG HH22 H -6.015 -9.192 7.394 1.00 . A A . 22 ARG HH22 1 1 10 4293 1 1 22 ARG N N -2.292 -5.582 2.701 1.00 . A A . 22 ARG N 1 1 10 4294 1 1 22 ARG NE N -4.774 -9.282 4.493 1.00 . A A . 22 ARG NE 1 1 10 4295 1 1 22 ARG NH1 N -6.678 -10.235 5.208 1.00 . A A . 22 ARG NH1 1 1 10 4296 1 1 22 ARG NH2 N -5.377 -9.023 6.643 1.00 . A A . 22 ARG NH2 1 1 10 4297 1 1 22 ARG O O -0.611 -8.071 0.625 1.00 . A A . 22 ARG O 1 1 10 4298 1 1 23 PHE C C -1.285 -6.087 -2.040 1.00 . A A . 23 PHE C 1 1 10 4299 1 1 23 PHE CA C -2.247 -7.065 -1.352 1.00 . A A . 23 PHE CA 1 1 10 4300 1 1 23 PHE CB C -3.675 -6.954 -1.912 1.00 . A A . 23 PHE CB 1 1 10 4301 1 1 23 PHE CD1 C -4.328 -9.212 -0.914 1.00 . A A . 23 PHE CD1 1 1 10 4302 1 1 23 PHE CD2 C -5.831 -7.384 -0.631 1.00 . A A . 23 PHE CD2 1 1 10 4303 1 1 23 PHE CE1 C -5.190 -10.028 -0.211 1.00 . A A . 23 PHE CE1 1 1 10 4304 1 1 23 PHE CE2 C -6.692 -8.202 0.071 1.00 . A A . 23 PHE CE2 1 1 10 4305 1 1 23 PHE CG C -4.638 -7.877 -1.131 1.00 . A A . 23 PHE CG 1 1 10 4306 1 1 23 PHE CZ C -6.372 -9.525 0.282 1.00 . A A . 23 PHE CZ 1 1 10 4307 1 1 23 PHE H H -3.012 -6.129 0.400 1.00 . A A . 23 PHE H 1 1 10 4308 1 1 23 PHE HA H -1.869 -8.069 -1.488 1.00 . A A . 23 PHE HA 1 1 10 4309 1 1 23 PHE HB2 H -4.024 -5.933 -1.840 1.00 . A A . 23 PHE HB2 1 1 10 4310 1 1 23 PHE HB3 H -3.676 -7.245 -2.943 1.00 . A A . 23 PHE HB3 1 1 10 4311 1 1 23 PHE HD1 H -3.405 -9.621 -1.296 1.00 . A A . 23 PHE HD1 1 1 10 4312 1 1 23 PHE HD2 H -6.097 -6.350 -0.791 1.00 . A A . 23 PHE HD2 1 1 10 4313 1 1 23 PHE HE1 H -4.936 -11.065 -0.048 1.00 . A A . 23 PHE HE1 1 1 10 4314 1 1 23 PHE HE2 H -7.618 -7.803 0.458 1.00 . A A . 23 PHE HE2 1 1 10 4315 1 1 23 PHE HZ H -7.046 -10.164 0.833 1.00 . A A . 23 PHE HZ 1 1 10 4316 1 1 23 PHE N N -2.321 -6.750 0.101 1.00 . A A . 23 PHE N 1 1 10 4317 1 1 23 PHE O O -1.339 -5.901 -3.242 1.00 . A A . 23 PHE O 1 1 10 4318 1 1 24 ASN C C -0.069 -3.457 -2.594 1.00 . A A . 24 ASN C 1 1 10 4319 1 1 24 ASN CA C 0.589 -4.514 -1.709 1.00 . A A . 24 ASN CA 1 1 10 4320 1 1 24 ASN CB C 1.688 -5.282 -2.481 1.00 . A A . 24 ASN CB 1 1 10 4321 1 1 24 ASN CG C 2.241 -6.387 -1.574 1.00 . A A . 24 ASN CG 1 1 10 4322 1 1 24 ASN H H -0.459 -5.710 -0.277 1.00 . A A . 24 ASN H 1 1 10 4323 1 1 24 ASN HA H 1.010 -4.018 -0.847 1.00 . A A . 24 ASN HA 1 1 10 4324 1 1 24 ASN HB2 H 1.286 -5.730 -3.378 1.00 . A A . 24 ASN HB2 1 1 10 4325 1 1 24 ASN HB3 H 2.493 -4.614 -2.749 1.00 . A A . 24 ASN HB3 1 1 10 4326 1 1 24 ASN HD21 H 3.537 -5.178 -0.680 1.00 . A A . 24 ASN HD21 1 1 10 4327 1 1 24 ASN HD22 H 3.555 -6.788 -0.140 1.00 . A A . 24 ASN HD22 1 1 10 4328 1 1 24 ASN N N -0.432 -5.500 -1.233 1.00 . A A . 24 ASN N 1 1 10 4329 1 1 24 ASN ND2 N 3.190 -6.094 -0.728 1.00 . A A . 24 ASN ND2 1 1 10 4330 1 1 24 ASN O O 0.478 -3.022 -3.587 1.00 . A A . 24 ASN O 1 1 10 4331 1 1 24 ASN OD1 O 1.814 -7.523 -1.627 1.00 . A A . 24 ASN OD1 1 1 10 4332 1 1 25 LYS C C -2.409 -0.995 -1.834 1.00 . A A . 25 LYS C 1 1 10 4333 1 1 25 LYS CA C -2.091 -2.086 -2.855 1.00 . A A . 25 LYS CA 1 1 10 4334 1 1 25 LYS CB C -3.354 -2.791 -3.346 1.00 . A A . 25 LYS CB 1 1 10 4335 1 1 25 LYS CD C -4.262 -4.260 -5.176 1.00 . A A . 25 LYS CD 1 1 10 4336 1 1 25 LYS CE C -4.090 -4.651 -6.652 1.00 . A A . 25 LYS CE 1 1 10 4337 1 1 25 LYS CG C -3.092 -3.351 -4.758 1.00 . A A . 25 LYS CG 1 1 10 4338 1 1 25 LYS H H -1.610 -3.514 -1.355 1.00 . A A . 25 LYS H 1 1 10 4339 1 1 25 LYS HA H -1.539 -1.643 -3.668 1.00 . A A . 25 LYS HA 1 1 10 4340 1 1 25 LYS HB2 H -3.601 -3.603 -2.676 1.00 . A A . 25 LYS HB2 1 1 10 4341 1 1 25 LYS HB3 H -4.178 -2.099 -3.353 1.00 . A A . 25 LYS HB3 1 1 10 4342 1 1 25 LYS HD2 H -4.268 -5.150 -4.566 1.00 . A A . 25 LYS HD2 1 1 10 4343 1 1 25 LYS HD3 H -5.203 -3.743 -5.045 1.00 . A A . 25 LYS HD3 1 1 10 4344 1 1 25 LYS HE2 H -4.053 -3.769 -7.275 1.00 . A A . 25 LYS HE2 1 1 10 4345 1 1 25 LYS HE3 H -3.180 -5.217 -6.789 1.00 . A A . 25 LYS HE3 1 1 10 4346 1 1 25 LYS HG2 H -2.986 -2.537 -5.458 1.00 . A A . 25 LYS HG2 1 1 10 4347 1 1 25 LYS HG3 H -2.177 -3.925 -4.757 1.00 . A A . 25 LYS HG3 1 1 10 4348 1 1 25 LYS HZ1 H -6.125 -4.962 -6.954 1.00 . A A . 25 LYS HZ1 1 1 10 4349 1 1 25 LYS HZ2 H -5.129 -5.737 -8.091 1.00 . A A . 25 LYS HZ2 1 1 10 4350 1 1 25 LYS HZ3 H -5.267 -6.361 -6.518 1.00 . A A . 25 LYS HZ3 1 1 10 4351 1 1 25 LYS N N -1.251 -3.099 -2.166 1.00 . A A . 25 LYS N 1 1 10 4352 1 1 25 LYS NZ N -5.240 -5.491 -7.087 1.00 . A A . 25 LYS NZ 1 1 10 4353 1 1 25 LYS O O -2.146 -1.173 -0.662 1.00 . A A . 25 LYS O 1 1 10 4354 1 1 26 CYS C C -4.598 0.950 -0.591 1.00 . A A . 26 CYS C 1 1 10 4355 1 1 26 CYS CA C -3.299 1.209 -1.357 1.00 . A A . 26 CYS CA 1 1 10 4356 1 1 26 CYS CB C -3.403 2.495 -2.175 1.00 . A A . 26 CYS CB 1 1 10 4357 1 1 26 CYS H H -3.162 0.200 -3.244 1.00 . A A . 26 CYS H 1 1 10 4358 1 1 26 CYS HA H -2.499 1.320 -0.641 1.00 . A A . 26 CYS HA 1 1 10 4359 1 1 26 CYS HB2 H -3.992 2.291 -3.054 1.00 . A A . 26 CYS HB2 1 1 10 4360 1 1 26 CYS HB3 H -3.922 3.240 -1.597 1.00 . A A . 26 CYS HB3 1 1 10 4361 1 1 26 CYS N N -2.962 0.098 -2.291 1.00 . A A . 26 CYS N 1 1 10 4362 1 1 26 CYS O O -5.289 -0.024 -0.826 1.00 . A A . 26 CYS O 1 1 10 4363 1 1 26 CYS SG S -1.844 3.228 -2.718 1.00 . A A . 26 CYS SG 1 1 10 4364 1 1 27 VAL C C -6.964 3.042 0.936 1.00 . A A . 27 VAL C 1 1 10 4365 1 1 27 VAL CA C -6.096 1.787 1.169 1.00 . A A . 27 VAL CA 1 1 10 4366 1 1 27 VAL CB C -5.622 1.681 2.646 1.00 . A A . 27 VAL CB 1 1 10 4367 1 1 27 VAL CG1 C -6.816 1.745 3.625 1.00 . A A . 27 VAL CG1 1 1 10 4368 1 1 27 VAL CG2 C -4.894 0.329 2.842 1.00 . A A . 27 VAL CG2 1 1 10 4369 1 1 27 VAL H H -4.253 2.606 0.429 1.00 . A A . 27 VAL H 1 1 10 4370 1 1 27 VAL HA H -6.673 0.912 0.903 1.00 . A A . 27 VAL HA 1 1 10 4371 1 1 27 VAL HB H -4.943 2.494 2.860 1.00 . A A . 27 VAL HB 1 1 10 4372 1 1 27 VAL HG11 H -7.616 1.101 3.287 1.00 . A A . 27 VAL HG11 1 1 10 4373 1 1 27 VAL HG12 H -6.511 1.430 4.612 1.00 . A A . 27 VAL HG12 1 1 10 4374 1 1 27 VAL HG13 H -7.188 2.758 3.690 1.00 . A A . 27 VAL HG13 1 1 10 4375 1 1 27 VAL HG21 H -4.079 0.229 2.139 1.00 . A A . 27 VAL HG21 1 1 10 4376 1 1 27 VAL HG22 H -4.493 0.261 3.843 1.00 . A A . 27 VAL HG22 1 1 10 4377 1 1 27 VAL HG23 H -5.584 -0.488 2.689 1.00 . A A . 27 VAL HG23 1 1 10 4378 1 1 27 VAL N N -4.872 1.856 0.311 1.00 . A A . 27 VAL N 1 1 10 4379 1 1 27 VAL O O -8.160 2.926 1.150 1.00 . A A . 27 VAL O 1 1 10 4380 1 1 27 VAL OXT O -6.393 4.050 0.554 1.00 . A A . 27 VAL OXT 1 1 11 4381 1 1 1 CYS C C -1.472 10.283 -4.558 1.00 . A A . 1 CYS C 1 1 11 4382 1 1 1 CYS CA C -0.890 11.405 -3.678 1.00 . A A . 1 CYS CA 1 1 11 4383 1 1 1 CYS CB C -1.984 12.122 -2.834 1.00 . A A . 1 CYS CB 1 1 11 4384 1 1 1 CYS H1 H -1.032 12.749 -5.259 1.00 . A A . 1 CYS H1 1 1 11 4385 1 1 1 CYS H2 H 0.105 13.190 -4.076 1.00 . A A . 1 CYS H2 1 1 11 4386 1 1 1 CYS H3 H 0.458 11.940 -5.172 1.00 . A A . 1 CYS H3 1 1 11 4387 1 1 1 CYS HA H -0.110 11.005 -3.046 1.00 . A A . 1 CYS HA 1 1 11 4388 1 1 1 CYS HB2 H -1.857 11.818 -1.808 1.00 . A A . 1 CYS HB2 1 1 11 4389 1 1 1 CYS HB3 H -1.782 13.182 -2.863 1.00 . A A . 1 CYS HB3 1 1 11 4390 1 1 1 CYS N N -0.294 12.396 -4.617 1.00 . A A . 1 CYS N 1 1 11 4391 1 1 1 CYS O O -2.305 10.536 -5.407 1.00 . A A . 1 CYS O 1 1 11 4392 1 1 1 CYS SG S -3.736 11.921 -3.245 1.00 . A A . 1 CYS SG 1 1 11 4393 1 1 2 ARG C C -2.884 7.435 -4.647 1.00 . A A . 2 ARG C 1 1 11 4394 1 1 2 ARG CA C -1.503 7.902 -5.132 1.00 . A A . 2 ARG CA 1 1 11 4395 1 1 2 ARG CB C -0.444 6.782 -4.999 1.00 . A A . 2 ARG CB 1 1 11 4396 1 1 2 ARG CD C 0.135 4.390 -5.475 1.00 . A A . 2 ARG CD 1 1 11 4397 1 1 2 ARG CG C -0.818 5.545 -5.844 1.00 . A A . 2 ARG CG 1 1 11 4398 1 1 2 ARG CZ C 2.162 4.294 -6.810 1.00 . A A . 2 ARG CZ 1 1 11 4399 1 1 2 ARG H H -0.352 8.930 -3.628 1.00 . A A . 2 ARG H 1 1 11 4400 1 1 2 ARG HA H -1.577 8.198 -6.168 1.00 . A A . 2 ARG HA 1 1 11 4401 1 1 2 ARG HB2 H 0.504 7.167 -5.345 1.00 . A A . 2 ARG HB2 1 1 11 4402 1 1 2 ARG HB3 H -0.327 6.494 -3.968 1.00 . A A . 2 ARG HB3 1 1 11 4403 1 1 2 ARG HD2 H 0.064 4.172 -4.420 1.00 . A A . 2 ARG HD2 1 1 11 4404 1 1 2 ARG HD3 H -0.099 3.494 -6.025 1.00 . A A . 2 ARG HD3 1 1 11 4405 1 1 2 ARG HE H 1.982 5.473 -5.226 1.00 . A A . 2 ARG HE 1 1 11 4406 1 1 2 ARG HG2 H -1.835 5.242 -5.642 1.00 . A A . 2 ARG HG2 1 1 11 4407 1 1 2 ARG HG3 H -0.727 5.778 -6.894 1.00 . A A . 2 ARG HG3 1 1 11 4408 1 1 2 ARG HH11 H 2.643 2.626 -5.814 1.00 . A A . 2 ARG HH11 1 1 11 4409 1 1 2 ARG HH12 H 3.195 2.706 -7.454 1.00 . A A . 2 ARG HH12 1 1 11 4410 1 1 2 ARG HH21 H 1.787 5.873 -7.980 1.00 . A A . 2 ARG HH21 1 1 11 4411 1 1 2 ARG HH22 H 2.698 4.596 -8.713 1.00 . A A . 2 ARG HH22 1 1 11 4412 1 1 2 ARG N N -1.017 9.074 -4.332 1.00 . A A . 2 ARG N 1 1 11 4413 1 1 2 ARG NE N 1.534 4.809 -5.790 1.00 . A A . 2 ARG NE 1 1 11 4414 1 1 2 ARG NH1 N 2.709 3.117 -6.683 1.00 . A A . 2 ARG NH1 1 1 11 4415 1 1 2 ARG NH2 N 2.220 4.974 -7.921 1.00 . A A . 2 ARG NH2 1 1 11 4416 1 1 2 ARG O O -3.138 7.357 -3.463 1.00 . A A . 2 ARG O 1 1 11 4417 1 1 3 ILE C C -5.161 5.363 -4.458 1.00 . A A . 3 ILE C 1 1 11 4418 1 1 3 ILE CA C -5.122 6.671 -5.292 1.00 . A A . 3 ILE CA 1 1 11 4419 1 1 3 ILE CB C -5.854 6.485 -6.652 1.00 . A A . 3 ILE CB 1 1 11 4420 1 1 3 ILE CD1 C -5.832 5.192 -8.863 1.00 . A A . 3 ILE CD1 1 1 11 4421 1 1 3 ILE CG1 C -5.206 5.318 -7.463 1.00 . A A . 3 ILE CG1 1 1 11 4422 1 1 3 ILE CG2 C -5.782 7.815 -7.448 1.00 . A A . 3 ILE CG2 1 1 11 4423 1 1 3 ILE H H -3.471 7.214 -6.533 1.00 . A A . 3 ILE H 1 1 11 4424 1 1 3 ILE HA H -5.608 7.457 -4.736 1.00 . A A . 3 ILE HA 1 1 11 4425 1 1 3 ILE HB H -6.885 6.249 -6.465 1.00 . A A . 3 ILE HB 1 1 11 4426 1 1 3 ILE HD11 H -6.907 5.276 -8.808 1.00 . A A . 3 ILE HD11 1 1 11 4427 1 1 3 ILE HD12 H -5.451 5.965 -9.515 1.00 . A A . 3 ILE HD12 1 1 11 4428 1 1 3 ILE HD13 H -5.582 4.231 -9.288 1.00 . A A . 3 ILE HD13 1 1 11 4429 1 1 3 ILE HG12 H -4.138 5.464 -7.550 1.00 . A A . 3 ILE HG12 1 1 11 4430 1 1 3 ILE HG13 H -5.385 4.394 -6.938 1.00 . A A . 3 ILE HG13 1 1 11 4431 1 1 3 ILE HG21 H -5.967 8.653 -6.793 1.00 . A A . 3 ILE HG21 1 1 11 4432 1 1 3 ILE HG22 H -4.806 7.937 -7.896 1.00 . A A . 3 ILE HG22 1 1 11 4433 1 1 3 ILE HG23 H -6.526 7.820 -8.230 1.00 . A A . 3 ILE HG23 1 1 11 4434 1 1 3 ILE N N -3.735 7.136 -5.594 1.00 . A A . 3 ILE N 1 1 11 4435 1 1 3 ILE O O -4.203 4.614 -4.469 1.00 . A A . 3 ILE O 1 1 11 4436 1 1 4 HYP C C -6.371 2.598 -3.986 1.00 . A A . 4 HYP C 1 1 11 4437 1 1 4 HYP CA C -6.502 3.823 -3.068 1.00 . A A . 4 HYP CA 1 1 11 4438 1 1 4 HYP CB C -7.911 3.922 -2.468 1.00 . A A . 4 HYP CB 1 1 11 4439 1 1 4 HYP CD C -7.361 6.105 -3.564 1.00 . A A . 4 HYP CD 1 1 11 4440 1 1 4 HYP CG C -8.321 5.412 -2.575 1.00 . A A . 4 HYP CG 1 1 11 4441 1 1 4 HYP HA H -5.790 3.731 -2.262 1.00 . A A . 4 HYP HA 1 1 11 4442 1 1 4 HYP HB2 H -7.908 3.586 -1.444 1.00 . A A . 4 HYP HB2 1 1 11 4443 1 1 4 HYP HB3 H -8.608 3.316 -3.028 1.00 . A A . 4 HYP HB3 1 1 11 4444 1 1 4 HYP HD1 H -8.274 6.881 -1.304 1.00 . A A . 4 HYP HD1 1 1 11 4445 1 1 4 HYP HD22 H -6.965 7.024 -3.157 1.00 . A A . 4 HYP HD22 1 1 11 4446 1 1 4 HYP HD23 H -7.850 6.296 -4.507 1.00 . A A . 4 HYP HD23 1 1 11 4447 1 1 4 HYP HG H -9.366 5.562 -2.802 1.00 . A A . 4 HYP HG 1 1 11 4448 1 1 4 HYP N N -6.255 5.124 -3.759 1.00 . A A . 4 HYP N 1 1 11 4449 1 1 4 HYP O O -6.364 2.723 -5.195 1.00 . A A . 4 HYP O 1 1 11 4450 1 1 4 HYP OD1 O -8.000 5.961 -1.305 1.00 . A A . 4 HYP OD1 1 1 11 4451 1 1 5 ASN C C -5.083 0.036 -5.133 1.00 . A A . 5 ASN C 1 1 11 4452 1 1 5 ASN CA C -6.131 0.118 -4.005 1.00 . A A . 5 ASN CA 1 1 11 4453 1 1 5 ASN CB C -7.540 -0.308 -4.542 1.00 . A A . 5 ASN CB 1 1 11 4454 1 1 5 ASN CG C -7.941 0.446 -5.819 1.00 . A A . 5 ASN CG 1 1 11 4455 1 1 5 ASN H H -6.287 1.488 -2.362 1.00 . A A . 5 ASN H 1 1 11 4456 1 1 5 ASN HA H -5.843 -0.592 -3.246 1.00 . A A . 5 ASN HA 1 1 11 4457 1 1 5 ASN HB2 H -7.538 -1.367 -4.759 1.00 . A A . 5 ASN HB2 1 1 11 4458 1 1 5 ASN HB3 H -8.286 -0.121 -3.784 1.00 . A A . 5 ASN HB3 1 1 11 4459 1 1 5 ASN HD21 H -6.871 -0.726 -7.011 1.00 . A A . 5 ASN HD21 1 1 11 4460 1 1 5 ASN HD22 H -7.719 0.522 -7.790 1.00 . A A . 5 ASN HD22 1 1 11 4461 1 1 5 ASN N N -6.271 1.458 -3.341 1.00 . A A . 5 ASN N 1 1 11 4462 1 1 5 ASN ND2 N -7.472 0.048 -6.969 1.00 . A A . 5 ASN ND2 1 1 11 4463 1 1 5 ASN O O -5.037 -0.941 -5.855 1.00 . A A . 5 ASN O 1 1 11 4464 1 1 5 ASN OD1 O -8.687 1.405 -5.780 1.00 . A A . 5 ASN OD1 1 1 11 4465 1 1 6 GLN C C -1.965 0.365 -5.804 1.00 . A A . 6 GLN C 1 1 11 4466 1 1 6 GLN CA C -3.220 1.077 -6.312 1.00 . A A . 6 GLN CA 1 1 11 4467 1 1 6 GLN CB C -2.911 2.543 -6.659 1.00 . A A . 6 GLN CB 1 1 11 4468 1 1 6 GLN CD C -1.002 2.825 -8.300 1.00 . A A . 6 GLN CD 1 1 11 4469 1 1 6 GLN CG C -2.522 2.675 -8.155 1.00 . A A . 6 GLN CG 1 1 11 4470 1 1 6 GLN H H -4.347 1.814 -4.641 1.00 . A A . 6 GLN H 1 1 11 4471 1 1 6 GLN HA H -3.595 0.552 -7.180 1.00 . A A . 6 GLN HA 1 1 11 4472 1 1 6 GLN HB2 H -3.797 3.129 -6.480 1.00 . A A . 6 GLN HB2 1 1 11 4473 1 1 6 GLN HB3 H -2.133 2.917 -6.013 1.00 . A A . 6 GLN HB3 1 1 11 4474 1 1 6 GLN HE21 H -1.124 4.722 -8.874 1.00 . A A . 6 GLN HE21 1 1 11 4475 1 1 6 GLN HE22 H 0.447 4.089 -8.788 1.00 . A A . 6 GLN HE22 1 1 11 4476 1 1 6 GLN HG2 H -2.837 1.815 -8.727 1.00 . A A . 6 GLN HG2 1 1 11 4477 1 1 6 GLN HG3 H -2.994 3.552 -8.572 1.00 . A A . 6 GLN HG3 1 1 11 4478 1 1 6 GLN N N -4.270 1.054 -5.252 1.00 . A A . 6 GLN N 1 1 11 4479 1 1 6 GLN NE2 N -0.520 3.974 -8.686 1.00 . A A . 6 GLN NE2 1 1 11 4480 1 1 6 GLN O O -1.609 0.473 -4.646 1.00 . A A . 6 GLN O 1 1 11 4481 1 1 6 GLN OE1 O -0.243 1.905 -8.066 1.00 . A A . 6 GLN OE1 1 1 11 4482 1 1 7 LYS C C 0.993 -0.282 -5.675 1.00 . A A . 7 LYS C 1 1 11 4483 1 1 7 LYS CA C -0.096 -1.107 -6.390 1.00 . A A . 7 LYS CA 1 1 11 4484 1 1 7 LYS CB C 0.463 -1.686 -7.717 1.00 . A A . 7 LYS CB 1 1 11 4485 1 1 7 LYS CD C 0.960 -4.074 -7.028 1.00 . A A . 7 LYS CD 1 1 11 4486 1 1 7 LYS CE C 0.209 -5.350 -6.616 1.00 . A A . 7 LYS CE 1 1 11 4487 1 1 7 LYS CG C 0.028 -3.161 -7.869 1.00 . A A . 7 LYS CG 1 1 11 4488 1 1 7 LYS H H -1.695 -0.368 -7.620 1.00 . A A . 7 LYS H 1 1 11 4489 1 1 7 LYS HA H -0.382 -1.917 -5.738 1.00 . A A . 7 LYS HA 1 1 11 4490 1 1 7 LYS HB2 H 0.078 -1.119 -8.552 1.00 . A A . 7 LYS HB2 1 1 11 4491 1 1 7 LYS HB3 H 1.542 -1.622 -7.740 1.00 . A A . 7 LYS HB3 1 1 11 4492 1 1 7 LYS HD2 H 1.822 -4.345 -7.620 1.00 . A A . 7 LYS HD2 1 1 11 4493 1 1 7 LYS HD3 H 1.305 -3.559 -6.142 1.00 . A A . 7 LYS HD3 1 1 11 4494 1 1 7 LYS HE2 H -0.345 -5.756 -7.450 1.00 . A A . 7 LYS HE2 1 1 11 4495 1 1 7 LYS HE3 H 0.912 -6.093 -6.268 1.00 . A A . 7 LYS HE3 1 1 11 4496 1 1 7 LYS HG2 H -1.001 -3.273 -7.555 1.00 . A A . 7 LYS HG2 1 1 11 4497 1 1 7 LYS HG3 H 0.096 -3.444 -8.909 1.00 . A A . 7 LYS HG3 1 1 11 4498 1 1 7 LYS HZ1 H -1.096 -4.075 -5.610 1.00 . A A . 7 LYS HZ1 1 1 11 4499 1 1 7 LYS HZ2 H -1.543 -5.713 -5.547 1.00 . A A . 7 LYS HZ2 1 1 11 4500 1 1 7 LYS HZ3 H -0.254 -5.145 -4.599 1.00 . A A . 7 LYS HZ3 1 1 11 4501 1 1 7 LYS N N -1.338 -0.341 -6.708 1.00 . A A . 7 LYS N 1 1 11 4502 1 1 7 LYS NZ N -0.743 -5.048 -5.511 1.00 . A A . 7 LYS NZ 1 1 11 4503 1 1 7 LYS O O 1.664 0.534 -6.278 1.00 . A A . 7 LYS O 1 1 11 4504 1 1 8 CYS C C 2.728 -0.857 -2.552 1.00 . A A . 8 CYS C 1 1 11 4505 1 1 8 CYS CA C 2.120 0.157 -3.534 1.00 . A A . 8 CYS CA 1 1 11 4506 1 1 8 CYS CB C 1.409 1.292 -2.796 1.00 . A A . 8 CYS CB 1 1 11 4507 1 1 8 CYS H H 0.526 -1.201 -3.986 1.00 . A A . 8 CYS H 1 1 11 4508 1 1 8 CYS HA H 2.914 0.553 -4.151 1.00 . A A . 8 CYS HA 1 1 11 4509 1 1 8 CYS HB2 H 2.151 1.835 -2.230 1.00 . A A . 8 CYS HB2 1 1 11 4510 1 1 8 CYS HB3 H 1.024 1.967 -3.545 1.00 . A A . 8 CYS HB3 1 1 11 4511 1 1 8 CYS N N 1.115 -0.536 -4.396 1.00 . A A . 8 CYS N 1 1 11 4512 1 1 8 CYS O O 2.572 -2.050 -2.740 1.00 . A A . 8 CYS O 1 1 11 4513 1 1 8 CYS SG S 0.041 0.918 -1.675 1.00 . A A . 8 CYS SG 1 1 11 4514 1 1 9 PHE C C 3.823 -0.819 0.907 1.00 . A A . 9 PHE C 1 1 11 4515 1 1 9 PHE CA C 4.035 -1.285 -0.534 1.00 . A A . 9 PHE CA 1 1 11 4516 1 1 9 PHE CB C 5.548 -1.372 -0.810 1.00 . A A . 9 PHE CB 1 1 11 4517 1 1 9 PHE CD1 C 5.841 -0.797 -3.266 1.00 . A A . 9 PHE CD1 1 1 11 4518 1 1 9 PHE CD2 C 5.982 -3.088 -2.625 1.00 . A A . 9 PHE CD2 1 1 11 4519 1 1 9 PHE CE1 C 6.063 -1.150 -4.581 1.00 . A A . 9 PHE CE1 1 1 11 4520 1 1 9 PHE CE2 C 6.204 -3.443 -3.939 1.00 . A A . 9 PHE CE2 1 1 11 4521 1 1 9 PHE CG C 5.798 -1.763 -2.277 1.00 . A A . 9 PHE CG 1 1 11 4522 1 1 9 PHE CZ C 6.245 -2.473 -4.918 1.00 . A A . 9 PHE CZ 1 1 11 4523 1 1 9 PHE H H 3.497 0.601 -1.434 1.00 . A A . 9 PHE H 1 1 11 4524 1 1 9 PHE HA H 3.601 -2.270 -0.628 1.00 . A A . 9 PHE HA 1 1 11 4525 1 1 9 PHE HB2 H 6.014 -0.419 -0.618 1.00 . A A . 9 PHE HB2 1 1 11 4526 1 1 9 PHE HB3 H 6.002 -2.113 -0.167 1.00 . A A . 9 PHE HB3 1 1 11 4527 1 1 9 PHE HD1 H 5.698 0.243 -3.012 1.00 . A A . 9 PHE HD1 1 1 11 4528 1 1 9 PHE HD2 H 5.952 -3.852 -1.864 1.00 . A A . 9 PHE HD2 1 1 11 4529 1 1 9 PHE HE1 H 6.095 -0.388 -5.345 1.00 . A A . 9 PHE HE1 1 1 11 4530 1 1 9 PHE HE2 H 6.346 -4.481 -4.201 1.00 . A A . 9 PHE HE2 1 1 11 4531 1 1 9 PHE HZ H 6.420 -2.750 -5.947 1.00 . A A . 9 PHE HZ 1 1 11 4532 1 1 9 PHE N N 3.403 -0.369 -1.538 1.00 . A A . 9 PHE N 1 1 11 4533 1 1 9 PHE O O 3.686 0.359 1.179 1.00 . A A . 9 PHE O 1 1 11 4534 1 1 10 GLN C C 4.727 -0.663 3.784 1.00 . A A . 10 GLN C 1 1 11 4535 1 1 10 GLN CA C 3.623 -1.579 3.237 1.00 . A A . 10 GLN CA 1 1 11 4536 1 1 10 GLN CB C 3.664 -2.949 3.953 1.00 . A A . 10 GLN CB 1 1 11 4537 1 1 10 GLN CD C 2.463 -4.431 2.287 1.00 . A A . 10 GLN CD 1 1 11 4538 1 1 10 GLN CG C 2.375 -3.756 3.663 1.00 . A A . 10 GLN CG 1 1 11 4539 1 1 10 GLN H H 3.924 -2.716 1.468 1.00 . A A . 10 GLN H 1 1 11 4540 1 1 10 GLN HA H 2.665 -1.114 3.373 1.00 . A A . 10 GLN HA 1 1 11 4541 1 1 10 GLN HB2 H 4.530 -3.504 3.624 1.00 . A A . 10 GLN HB2 1 1 11 4542 1 1 10 GLN HB3 H 3.748 -2.791 5.019 1.00 . A A . 10 GLN HB3 1 1 11 4543 1 1 10 GLN HE21 H 1.533 -2.947 1.350 1.00 . A A . 10 GLN HE21 1 1 11 4544 1 1 10 GLN HE22 H 2.013 -4.246 0.367 1.00 . A A . 10 GLN HE22 1 1 11 4545 1 1 10 GLN HG2 H 2.248 -4.520 4.415 1.00 . A A . 10 GLN HG2 1 1 11 4546 1 1 10 GLN HG3 H 1.512 -3.109 3.683 1.00 . A A . 10 GLN HG3 1 1 11 4547 1 1 10 GLN N N 3.811 -1.799 1.776 1.00 . A A . 10 GLN N 1 1 11 4548 1 1 10 GLN NE2 N 1.961 -3.822 1.249 1.00 . A A . 10 GLN NE2 1 1 11 4549 1 1 10 GLN O O 4.571 -0.055 4.825 1.00 . A A . 10 GLN O 1 1 11 4550 1 1 10 GLN OE1 O 2.990 -5.516 2.143 1.00 . A A . 10 GLN OE1 1 1 11 4551 1 1 11 HIS C C 6.932 1.538 2.616 1.00 . A A . 11 HIS C 1 1 11 4552 1 1 11 HIS CA C 6.988 0.226 3.407 1.00 . A A . 11 HIS CA 1 1 11 4553 1 1 11 HIS CB C 8.260 -0.559 3.059 1.00 . A A . 11 HIS CB 1 1 11 4554 1 1 11 HIS CD2 C 9.939 -0.445 5.079 1.00 . A A . 11 HIS CD2 1 1 11 4555 1 1 11 HIS CE1 C 11.030 1.215 4.488 1.00 . A A . 11 HIS CE1 1 1 11 4556 1 1 11 HIS CG C 9.419 -0.005 3.880 1.00 . A A . 11 HIS CG 1 1 11 4557 1 1 11 HIS H H 5.856 -1.141 2.226 1.00 . A A . 11 HIS H 1 1 11 4558 1 1 11 HIS HA H 6.958 0.450 4.463 1.00 . A A . 11 HIS HA 1 1 11 4559 1 1 11 HIS HB2 H 8.135 -1.604 3.301 1.00 . A A . 11 HIS HB2 1 1 11 4560 1 1 11 HIS HB3 H 8.501 -0.472 2.009 1.00 . A A . 11 HIS HB3 1 1 11 4561 1 1 11 HIS HD1 H 10.022 1.570 2.767 1.00 . A A . 11 HIS HD1 1 1 11 4562 1 1 11 HIS HD2 H 9.566 -1.298 5.626 1.00 . A A . 11 HIS HD2 1 1 11 4563 1 1 11 HIS HE1 H 11.758 2.013 4.466 1.00 . A A . 11 HIS HE1 1 1 11 4564 1 1 11 HIS N N 5.810 -0.610 3.047 1.00 . A A . 11 HIS N 1 1 11 4565 1 1 11 HIS ND1 N 10.137 1.023 3.570 1.00 . A A . 11 HIS ND1 1 1 11 4566 1 1 11 HIS NE2 N 10.944 0.326 5.447 1.00 . A A . 11 HIS NE2 1 1 11 4567 1 1 11 HIS O O 7.040 2.610 3.179 1.00 . A A . 11 HIS O 1 1 11 4568 1 1 12 LEU C C 5.215 2.955 0.209 1.00 . A A . 12 LEU C 1 1 11 4569 1 1 12 LEU CA C 6.685 2.572 0.409 1.00 . A A . 12 LEU CA 1 1 11 4570 1 1 12 LEU CB C 7.344 2.206 -0.948 1.00 . A A . 12 LEU CB 1 1 11 4571 1 1 12 LEU CD1 C 9.370 1.147 -2.016 1.00 . A A . 12 LEU CD1 1 1 11 4572 1 1 12 LEU CD2 C 9.660 3.136 -0.501 1.00 . A A . 12 LEU CD2 1 1 11 4573 1 1 12 LEU CG C 8.842 1.847 -0.746 1.00 . A A . 12 LEU CG 1 1 11 4574 1 1 12 LEU H H 6.681 0.490 0.958 1.00 . A A . 12 LEU H 1 1 11 4575 1 1 12 LEU HA H 7.201 3.411 0.854 1.00 . A A . 12 LEU HA 1 1 11 4576 1 1 12 LEU HB2 H 6.824 1.371 -1.391 1.00 . A A . 12 LEU HB2 1 1 11 4577 1 1 12 LEU HB3 H 7.259 3.047 -1.621 1.00 . A A . 12 LEU HB3 1 1 11 4578 1 1 12 LEU HD11 H 9.249 1.786 -2.880 1.00 . A A . 12 LEU HD11 1 1 11 4579 1 1 12 LEU HD12 H 10.419 0.915 -1.901 1.00 . A A . 12 LEU HD12 1 1 11 4580 1 1 12 LEU HD13 H 8.832 0.226 -2.186 1.00 . A A . 12 LEU HD13 1 1 11 4581 1 1 12 LEU HD21 H 9.455 3.866 -1.270 1.00 . A A . 12 LEU HD21 1 1 11 4582 1 1 12 LEU HD22 H 9.407 3.560 0.459 1.00 . A A . 12 LEU HD22 1 1 11 4583 1 1 12 LEU HD23 H 10.717 2.913 -0.508 1.00 . A A . 12 LEU HD23 1 1 11 4584 1 1 12 LEU HG H 8.957 1.182 0.097 1.00 . A A . 12 LEU HG 1 1 11 4585 1 1 12 LEU N N 6.762 1.394 1.326 1.00 . A A . 12 LEU N 1 1 11 4586 1 1 12 LEU O O 4.655 2.839 -0.866 1.00 . A A . 12 LEU O 1 1 11 4587 1 1 13 ASP C C 3.129 5.223 0.665 1.00 . A A . 13 ASP C 1 1 11 4588 1 1 13 ASP CA C 3.212 3.828 1.299 1.00 . A A . 13 ASP CA 1 1 11 4589 1 1 13 ASP CB C 2.700 3.854 2.753 1.00 . A A . 13 ASP CB 1 1 11 4590 1 1 13 ASP CG C 3.068 2.537 3.454 1.00 . A A . 13 ASP CG 1 1 11 4591 1 1 13 ASP H H 5.169 3.453 2.122 1.00 . A A . 13 ASP H 1 1 11 4592 1 1 13 ASP HA H 2.632 3.133 0.711 1.00 . A A . 13 ASP HA 1 1 11 4593 1 1 13 ASP HB2 H 3.132 4.679 3.302 1.00 . A A . 13 ASP HB2 1 1 11 4594 1 1 13 ASP HB3 H 1.627 3.963 2.746 1.00 . A A . 13 ASP HB3 1 1 11 4595 1 1 13 ASP N N 4.644 3.402 1.296 1.00 . A A . 13 ASP N 1 1 11 4596 1 1 13 ASP O O 3.122 6.241 1.330 1.00 . A A . 13 ASP O 1 1 11 4597 1 1 13 ASP OD1 O 4.173 2.500 3.970 1.00 . A A . 13 ASP OD1 1 1 11 4598 1 1 13 ASP OD2 O 2.232 1.648 3.434 1.00 . A A . 13 ASP OD2 1 1 11 4599 1 1 14 ASP C C 1.510 6.838 -1.687 1.00 . A A . 14 ASP C 1 1 11 4600 1 1 14 ASP CA C 2.979 6.432 -1.473 1.00 . A A . 14 ASP CA 1 1 11 4601 1 1 14 ASP CB C 3.670 6.147 -2.835 1.00 . A A . 14 ASP CB 1 1 11 4602 1 1 14 ASP CG C 3.457 4.681 -3.289 1.00 . A A . 14 ASP CG 1 1 11 4603 1 1 14 ASP H H 3.073 4.324 -1.091 1.00 . A A . 14 ASP H 1 1 11 4604 1 1 14 ASP HA H 3.493 7.238 -0.970 1.00 . A A . 14 ASP HA 1 1 11 4605 1 1 14 ASP HB2 H 3.270 6.795 -3.598 1.00 . A A . 14 ASP HB2 1 1 11 4606 1 1 14 ASP HB3 H 4.729 6.340 -2.744 1.00 . A A . 14 ASP HB3 1 1 11 4607 1 1 14 ASP N N 3.065 5.192 -0.639 1.00 . A A . 14 ASP N 1 1 11 4608 1 1 14 ASP O O 1.220 7.767 -2.417 1.00 . A A . 14 ASP O 1 1 11 4609 1 1 14 ASP OD1 O 2.323 4.238 -3.210 1.00 . A A . 14 ASP OD1 1 1 11 4610 1 1 14 ASP OD2 O 4.440 4.083 -3.693 1.00 . A A . 14 ASP OD2 1 1 11 4611 1 1 15 CYS C C -1.222 7.724 -0.511 1.00 . A A . 15 CYS C 1 1 11 4612 1 1 15 CYS CA C -0.829 6.390 -1.134 1.00 . A A . 15 CYS CA 1 1 11 4613 1 1 15 CYS CB C -1.560 5.252 -0.437 1.00 . A A . 15 CYS CB 1 1 11 4614 1 1 15 CYS H H 0.927 5.387 -0.458 1.00 . A A . 15 CYS H 1 1 11 4615 1 1 15 CYS HA H -1.116 6.395 -2.171 1.00 . A A . 15 CYS HA 1 1 11 4616 1 1 15 CYS HB2 H -1.510 5.397 0.631 1.00 . A A . 15 CYS HB2 1 1 11 4617 1 1 15 CYS HB3 H -2.596 5.286 -0.723 1.00 . A A . 15 CYS HB3 1 1 11 4618 1 1 15 CYS N N 0.631 6.122 -1.033 1.00 . A A . 15 CYS N 1 1 11 4619 1 1 15 CYS O O -0.496 8.294 0.282 1.00 . A A . 15 CYS O 1 1 11 4620 1 1 15 CYS SG S -0.943 3.591 -0.785 1.00 . A A . 15 CYS SG 1 1 11 4621 1 1 16 CYS C C -3.229 9.228 1.086 1.00 . A A . 16 CYS C 1 1 11 4622 1 1 16 CYS CA C -2.938 9.457 -0.406 1.00 . A A . 16 CYS CA 1 1 11 4623 1 1 16 CYS CB C -4.217 9.771 -1.205 1.00 . A A . 16 CYS CB 1 1 11 4624 1 1 16 CYS H H -2.898 7.645 -1.552 1.00 . A A . 16 CYS H 1 1 11 4625 1 1 16 CYS HA H -2.197 10.233 -0.513 1.00 . A A . 16 CYS HA 1 1 11 4626 1 1 16 CYS HB2 H -4.134 9.320 -2.183 1.00 . A A . 16 CYS HB2 1 1 11 4627 1 1 16 CYS HB3 H -5.066 9.317 -0.714 1.00 . A A . 16 CYS HB3 1 1 11 4628 1 1 16 CYS N N -2.383 8.169 -0.910 1.00 . A A . 16 CYS N 1 1 11 4629 1 1 16 CYS O O -3.068 10.108 1.909 1.00 . A A . 16 CYS O 1 1 11 4630 1 1 16 CYS SG S -4.598 11.520 -1.461 1.00 . A A . 16 CYS SG 1 1 11 4631 1 1 17 SER C C -2.683 7.145 3.447 1.00 . A A . 17 SER C 1 1 11 4632 1 1 17 SER CA C -3.985 7.575 2.741 1.00 . A A . 17 SER CA 1 1 11 4633 1 1 17 SER CB C -4.959 6.401 2.629 1.00 . A A . 17 SER CB 1 1 11 4634 1 1 17 SER H H -3.762 7.365 0.642 1.00 . A A . 17 SER H 1 1 11 4635 1 1 17 SER HA H -4.436 8.393 3.286 1.00 . A A . 17 SER HA 1 1 11 4636 1 1 17 SER HB2 H -5.245 6.042 3.598 1.00 . A A . 17 SER HB2 1 1 11 4637 1 1 17 SER HB3 H -5.836 6.661 2.053 1.00 . A A . 17 SER HB3 1 1 11 4638 1 1 17 SER HG H -4.253 5.580 1.008 1.00 . A A . 17 SER HG 1 1 11 4639 1 1 17 SER N N -3.652 8.020 1.362 1.00 . A A . 17 SER N 1 1 11 4640 1 1 17 SER O O -2.639 7.020 4.656 1.00 . A A . 17 SER O 1 1 11 4641 1 1 17 SER OG O -4.227 5.389 1.949 1.00 . A A . 17 SER OG 1 1 11 4642 1 1 18 ARG C C -0.418 5.147 3.833 1.00 . A A . 18 ARG C 1 1 11 4643 1 1 18 ARG CA C -0.315 6.510 3.122 1.00 . A A . 18 ARG CA 1 1 11 4644 1 1 18 ARG CB C 0.240 7.608 4.083 1.00 . A A . 18 ARG CB 1 1 11 4645 1 1 18 ARG CD C 2.318 8.862 4.778 1.00 . A A . 18 ARG CD 1 1 11 4646 1 1 18 ARG CG C 1.746 7.812 3.806 1.00 . A A . 18 ARG CG 1 1 11 4647 1 1 18 ARG CZ C 3.680 7.953 6.571 1.00 . A A . 18 ARG CZ 1 1 11 4648 1 1 18 ARG H H -1.799 7.065 1.678 1.00 . A A . 18 ARG H 1 1 11 4649 1 1 18 ARG HA H 0.326 6.396 2.260 1.00 . A A . 18 ARG HA 1 1 11 4650 1 1 18 ARG HB2 H -0.278 8.540 3.902 1.00 . A A . 18 ARG HB2 1 1 11 4651 1 1 18 ARG HB3 H 0.087 7.329 5.116 1.00 . A A . 18 ARG HB3 1 1 11 4652 1 1 18 ARG HD2 H 3.278 9.213 4.425 1.00 . A A . 18 ARG HD2 1 1 11 4653 1 1 18 ARG HD3 H 1.651 9.706 4.873 1.00 . A A . 18 ARG HD3 1 1 11 4654 1 1 18 ARG HE H 1.696 8.012 6.662 1.00 . A A . 18 ARG HE 1 1 11 4655 1 1 18 ARG HG2 H 2.275 6.877 3.926 1.00 . A A . 18 ARG HG2 1 1 11 4656 1 1 18 ARG HG3 H 1.881 8.158 2.792 1.00 . A A . 18 ARG HG3 1 1 11 4657 1 1 18 ARG HH11 H 3.939 6.420 5.310 1.00 . A A . 18 ARG HH11 1 1 11 4658 1 1 18 ARG HH12 H 5.260 6.741 6.384 1.00 . A A . 18 ARG HH12 1 1 11 4659 1 1 18 ARG HH21 H 3.635 9.439 7.912 1.00 . A A . 18 ARG HH21 1 1 11 4660 1 1 18 ARG HH22 H 5.085 8.491 7.892 1.00 . A A . 18 ARG HH22 1 1 11 4661 1 1 18 ARG N N -1.667 6.936 2.640 1.00 . A A . 18 ARG N 1 1 11 4662 1 1 18 ARG NE N 2.485 8.225 6.121 1.00 . A A . 18 ARG NE 1 1 11 4663 1 1 18 ARG NH1 N 4.344 6.960 6.048 1.00 . A A . 18 ARG NH1 1 1 11 4664 1 1 18 ARG NH2 N 4.171 8.685 7.533 1.00 . A A . 18 ARG NH2 1 1 11 4665 1 1 18 ARG O O 0.334 4.844 4.740 1.00 . A A . 18 ARG O 1 1 11 4666 1 1 19 LYS C C -1.743 1.998 2.783 1.00 . A A . 19 LYS C 1 1 11 4667 1 1 19 LYS CA C -1.632 3.014 3.929 1.00 . A A . 19 LYS CA 1 1 11 4668 1 1 19 LYS CB C -2.942 3.075 4.711 1.00 . A A . 19 LYS CB 1 1 11 4669 1 1 19 LYS CD C -2.939 2.380 7.146 1.00 . A A . 19 LYS CD 1 1 11 4670 1 1 19 LYS CE C -2.908 2.901 8.594 1.00 . A A . 19 LYS CE 1 1 11 4671 1 1 19 LYS CG C -2.706 3.552 6.166 1.00 . A A . 19 LYS CG 1 1 11 4672 1 1 19 LYS H H -1.946 4.669 2.643 1.00 . A A . 19 LYS H 1 1 11 4673 1 1 19 LYS HA H -0.816 2.720 4.574 1.00 . A A . 19 LYS HA 1 1 11 4674 1 1 19 LYS HB2 H -3.612 3.768 4.222 1.00 . A A . 19 LYS HB2 1 1 11 4675 1 1 19 LYS HB3 H -3.400 2.104 4.676 1.00 . A A . 19 LYS HB3 1 1 11 4676 1 1 19 LYS HD2 H -3.897 1.918 6.952 1.00 . A A . 19 LYS HD2 1 1 11 4677 1 1 19 LYS HD3 H -2.167 1.636 7.015 1.00 . A A . 19 LYS HD3 1 1 11 4678 1 1 19 LYS HE2 H -2.901 2.071 9.285 1.00 . A A . 19 LYS HE2 1 1 11 4679 1 1 19 LYS HE3 H -2.028 3.505 8.763 1.00 . A A . 19 LYS HE3 1 1 11 4680 1 1 19 LYS HG2 H -1.702 3.934 6.289 1.00 . A A . 19 LYS HG2 1 1 11 4681 1 1 19 LYS HG3 H -3.399 4.351 6.387 1.00 . A A . 19 LYS HG3 1 1 11 4682 1 1 19 LYS HZ1 H -4.961 3.244 8.509 1.00 . A A . 19 LYS HZ1 1 1 11 4683 1 1 19 LYS HZ2 H -4.209 3.885 9.890 1.00 . A A . 19 LYS HZ2 1 1 11 4684 1 1 19 LYS HZ3 H -4.020 4.651 8.387 1.00 . A A . 19 LYS HZ3 1 1 11 4685 1 1 19 LYS N N -1.370 4.368 3.374 1.00 . A A . 19 LYS N 1 1 11 4686 1 1 19 LYS NZ N -4.117 3.733 8.866 1.00 . A A . 19 LYS NZ 1 1 11 4687 1 1 19 LYS O O -2.541 2.181 1.882 1.00 . A A . 19 LYS O 1 1 11 4688 1 1 20 CYS C C -1.208 -1.421 2.549 1.00 . A A . 20 CYS C 1 1 11 4689 1 1 20 CYS CA C -0.932 -0.103 1.822 1.00 . A A . 20 CYS CA 1 1 11 4690 1 1 20 CYS CB C 0.435 -0.089 1.169 1.00 . A A . 20 CYS CB 1 1 11 4691 1 1 20 CYS H H -0.303 0.869 3.586 1.00 . A A . 20 CYS H 1 1 11 4692 1 1 20 CYS HA H -1.714 0.084 1.100 1.00 . A A . 20 CYS HA 1 1 11 4693 1 1 20 CYS HB2 H 1.195 -0.145 1.933 1.00 . A A . 20 CYS HB2 1 1 11 4694 1 1 20 CYS HB3 H 0.519 -0.969 0.567 1.00 . A A . 20 CYS HB3 1 1 11 4695 1 1 20 CYS N N -0.936 0.967 2.852 1.00 . A A . 20 CYS N 1 1 11 4696 1 1 20 CYS O O -0.460 -1.808 3.426 1.00 . A A . 20 CYS O 1 1 11 4697 1 1 20 CYS SG S 0.768 1.370 0.154 1.00 . A A . 20 CYS SG 1 1 11 4698 1 1 21 ASN C C -1.708 -4.534 2.434 1.00 . A A . 21 ASN C 1 1 11 4699 1 1 21 ASN CA C -2.650 -3.374 2.803 1.00 . A A . 21 ASN CA 1 1 11 4700 1 1 21 ASN CB C -4.098 -3.706 2.388 1.00 . A A . 21 ASN CB 1 1 11 4701 1 1 21 ASN CG C -4.222 -3.929 0.872 1.00 . A A . 21 ASN CG 1 1 11 4702 1 1 21 ASN H H -2.835 -1.704 1.452 1.00 . A A . 21 ASN H 1 1 11 4703 1 1 21 ASN HA H -2.620 -3.246 3.876 1.00 . A A . 21 ASN HA 1 1 11 4704 1 1 21 ASN HB2 H -4.441 -4.597 2.896 1.00 . A A . 21 ASN HB2 1 1 11 4705 1 1 21 ASN HB3 H -4.747 -2.889 2.664 1.00 . A A . 21 ASN HB3 1 1 11 4706 1 1 21 ASN HD21 H -6.206 -3.885 0.928 1.00 . A A . 21 ASN HD21 1 1 11 4707 1 1 21 ASN HD22 H -5.514 -4.134 -0.601 1.00 . A A . 21 ASN HD22 1 1 11 4708 1 1 21 ASN N N -2.275 -2.073 2.165 1.00 . A A . 21 ASN N 1 1 11 4709 1 1 21 ASN ND2 N -5.415 -3.987 0.359 1.00 . A A . 21 ASN ND2 1 1 11 4710 1 1 21 ASN O O -0.703 -4.348 1.774 1.00 . A A . 21 ASN O 1 1 11 4711 1 1 21 ASN OD1 O -3.257 -4.054 0.143 1.00 . A A . 21 ASN OD1 1 1 11 4712 1 1 22 ARG C C -1.283 -7.354 1.158 1.00 . A A . 22 ARG C 1 1 11 4713 1 1 22 ARG CA C -1.311 -6.945 2.637 1.00 . A A . 22 ARG CA 1 1 11 4714 1 1 22 ARG CB C -1.931 -8.068 3.492 1.00 . A A . 22 ARG CB 1 1 11 4715 1 1 22 ARG CD C -3.994 -9.445 3.953 1.00 . A A . 22 ARG CD 1 1 11 4716 1 1 22 ARG CG C -3.369 -8.398 3.018 1.00 . A A . 22 ARG CG 1 1 11 4717 1 1 22 ARG CZ C -5.486 -8.757 5.739 1.00 . A A . 22 ARG CZ 1 1 11 4718 1 1 22 ARG H H -2.906 -5.784 3.403 1.00 . A A . 22 ARG H 1 1 11 4719 1 1 22 ARG HA H -0.311 -6.759 2.977 1.00 . A A . 22 ARG HA 1 1 11 4720 1 1 22 ARG HB2 H -1.314 -8.947 3.413 1.00 . A A . 22 ARG HB2 1 1 11 4721 1 1 22 ARG HB3 H -1.947 -7.758 4.527 1.00 . A A . 22 ARG HB3 1 1 11 4722 1 1 22 ARG HD2 H -4.919 -9.815 3.534 1.00 . A A . 22 ARG HD2 1 1 11 4723 1 1 22 ARG HD3 H -3.321 -10.274 4.108 1.00 . A A . 22 ARG HD3 1 1 11 4724 1 1 22 ARG HE H -3.534 -8.393 5.780 1.00 . A A . 22 ARG HE 1 1 11 4725 1 1 22 ARG HG2 H -3.977 -7.506 3.016 1.00 . A A . 22 ARG HG2 1 1 11 4726 1 1 22 ARG HG3 H -3.340 -8.800 2.017 1.00 . A A . 22 ARG HG3 1 1 11 4727 1 1 22 ARG HH11 H -5.928 -7.061 4.773 1.00 . A A . 22 ARG HH11 1 1 11 4728 1 1 22 ARG HH12 H -7.202 -7.728 5.739 1.00 . A A . 22 ARG HH12 1 1 11 4729 1 1 22 ARG HH21 H -5.254 -10.447 6.783 1.00 . A A . 22 ARG HH21 1 1 11 4730 1 1 22 ARG HH22 H -6.809 -9.697 6.909 1.00 . A A . 22 ARG HH22 1 1 11 4731 1 1 22 ARG N N -2.087 -5.704 2.885 1.00 . A A . 22 ARG N 1 1 11 4732 1 1 22 ARG NE N -4.268 -8.793 5.269 1.00 . A A . 22 ARG NE 1 1 11 4733 1 1 22 ARG NH1 N -6.266 -7.771 5.389 1.00 . A A . 22 ARG NH1 1 1 11 4734 1 1 22 ARG NH2 N -5.881 -9.708 6.539 1.00 . A A . 22 ARG NH2 1 1 11 4735 1 1 22 ARG O O -0.443 -8.133 0.750 1.00 . A A . 22 ARG O 1 1 11 4736 1 1 23 PHE C C -1.429 -6.139 -1.855 1.00 . A A . 23 PHE C 1 1 11 4737 1 1 23 PHE CA C -2.299 -7.116 -1.051 1.00 . A A . 23 PHE CA 1 1 11 4738 1 1 23 PHE CB C -3.772 -6.992 -1.452 1.00 . A A . 23 PHE CB 1 1 11 4739 1 1 23 PHE CD1 C -4.650 -9.333 -1.023 1.00 . A A . 23 PHE CD1 1 1 11 4740 1 1 23 PHE CD2 C -5.364 -7.586 0.434 1.00 . A A . 23 PHE CD2 1 1 11 4741 1 1 23 PHE CE1 C -5.410 -10.237 -0.312 1.00 . A A . 23 PHE CE1 1 1 11 4742 1 1 23 PHE CE2 C -6.125 -8.489 1.145 1.00 . A A . 23 PHE CE2 1 1 11 4743 1 1 23 PHE CG C -4.620 -8.000 -0.657 1.00 . A A . 23 PHE CG 1 1 11 4744 1 1 23 PHE CZ C -6.148 -9.816 0.772 1.00 . A A . 23 PHE CZ 1 1 11 4745 1 1 23 PHE H H -2.857 -6.186 0.776 1.00 . A A . 23 PHE H 1 1 11 4746 1 1 23 PHE HA H -1.951 -8.122 -1.233 1.00 . A A . 23 PHE HA 1 1 11 4747 1 1 23 PHE HB2 H -4.134 -5.993 -1.258 1.00 . A A . 23 PHE HB2 1 1 11 4748 1 1 23 PHE HB3 H -3.879 -7.196 -2.499 1.00 . A A . 23 PHE HB3 1 1 11 4749 1 1 23 PHE HD1 H -4.074 -9.671 -1.872 1.00 . A A . 23 PHE HD1 1 1 11 4750 1 1 23 PHE HD2 H -5.352 -6.549 0.734 1.00 . A A . 23 PHE HD2 1 1 11 4751 1 1 23 PHE HE1 H -5.427 -11.275 -0.607 1.00 . A A . 23 PHE HE1 1 1 11 4752 1 1 23 PHE HE2 H -6.702 -8.158 1.995 1.00 . A A . 23 PHE HE2 1 1 11 4753 1 1 23 PHE HZ H -6.744 -10.524 1.329 1.00 . A A . 23 PHE HZ 1 1 11 4754 1 1 23 PHE N N -2.204 -6.810 0.402 1.00 . A A . 23 PHE N 1 1 11 4755 1 1 23 PHE O O -1.579 -6.029 -3.057 1.00 . A A . 23 PHE O 1 1 11 4756 1 1 24 ASN C C -0.389 -3.494 -2.679 1.00 . A A . 24 ASN C 1 1 11 4757 1 1 24 ASN CA C 0.383 -4.472 -1.788 1.00 . A A . 24 ASN CA 1 1 11 4758 1 1 24 ASN CB C 1.455 -5.257 -2.595 1.00 . A A . 24 ASN CB 1 1 11 4759 1 1 24 ASN CG C 2.621 -5.552 -1.646 1.00 . A A . 24 ASN CG 1 1 11 4760 1 1 24 ASN H H -0.483 -5.614 -0.191 1.00 . A A . 24 ASN H 1 1 11 4761 1 1 24 ASN HA H 0.842 -3.894 -1.002 1.00 . A A . 24 ASN HA 1 1 11 4762 1 1 24 ASN HB2 H 1.063 -6.195 -2.964 1.00 . A A . 24 ASN HB2 1 1 11 4763 1 1 24 ASN HB3 H 1.830 -4.681 -3.430 1.00 . A A . 24 ASN HB3 1 1 11 4764 1 1 24 ASN HD21 H 1.558 -6.813 -0.537 1.00 . A A . 24 ASN HD21 1 1 11 4765 1 1 24 ASN HD22 H 3.167 -6.589 -0.043 1.00 . A A . 24 ASN HD22 1 1 11 4766 1 1 24 ASN N N -0.543 -5.465 -1.157 1.00 . A A . 24 ASN N 1 1 11 4767 1 1 24 ASN ND2 N 2.433 -6.389 -0.660 1.00 . A A . 24 ASN ND2 1 1 11 4768 1 1 24 ASN O O 0.055 -3.084 -3.731 1.00 . A A . 24 ASN O 1 1 11 4769 1 1 24 ASN OD1 O 3.706 -5.028 -1.789 1.00 . A A . 24 ASN OD1 1 1 11 4770 1 1 25 LYS C C -2.779 -1.143 -1.809 1.00 . A A . 25 LYS C 1 1 11 4771 1 1 25 LYS CA C -2.495 -2.234 -2.840 1.00 . A A . 25 LYS CA 1 1 11 4772 1 1 25 LYS CB C -3.776 -2.995 -3.202 1.00 . A A . 25 LYS CB 1 1 11 4773 1 1 25 LYS CD C -5.070 -3.939 -5.156 1.00 . A A . 25 LYS CD 1 1 11 4774 1 1 25 LYS CE C -5.099 -3.874 -6.702 1.00 . A A . 25 LYS CE 1 1 11 4775 1 1 25 LYS CG C -3.657 -3.581 -4.626 1.00 . A A . 25 LYS CG 1 1 11 4776 1 1 25 LYS H H -1.825 -3.563 -1.324 1.00 . A A . 25 LYS H 1 1 11 4777 1 1 25 LYS HA H -2.028 -1.789 -3.707 1.00 . A A . 25 LYS HA 1 1 11 4778 1 1 25 LYS HB2 H -3.926 -3.800 -2.498 1.00 . A A . 25 LYS HB2 1 1 11 4779 1 1 25 LYS HB3 H -4.615 -2.327 -3.129 1.00 . A A . 25 LYS HB3 1 1 11 4780 1 1 25 LYS HD2 H -5.327 -4.939 -4.839 1.00 . A A . 25 LYS HD2 1 1 11 4781 1 1 25 LYS HD3 H -5.808 -3.259 -4.755 1.00 . A A . 25 LYS HD3 1 1 11 4782 1 1 25 LYS HE2 H -4.272 -3.296 -7.092 1.00 . A A . 25 LYS HE2 1 1 11 4783 1 1 25 LYS HE3 H -5.048 -4.871 -7.113 1.00 . A A . 25 LYS HE3 1 1 11 4784 1 1 25 LYS HG2 H -3.182 -2.863 -5.279 1.00 . A A . 25 LYS HG2 1 1 11 4785 1 1 25 LYS HG3 H -3.051 -4.473 -4.598 1.00 . A A . 25 LYS HG3 1 1 11 4786 1 1 25 LYS HZ1 H -6.461 -2.296 -6.733 1.00 . A A . 25 LYS HZ1 1 1 11 4787 1 1 25 LYS HZ2 H -6.350 -3.146 -8.199 1.00 . A A . 25 LYS HZ2 1 1 11 4788 1 1 25 LYS HZ3 H -7.173 -3.831 -6.880 1.00 . A A . 25 LYS HZ3 1 1 11 4789 1 1 25 LYS N N -1.550 -3.170 -2.178 1.00 . A A . 25 LYS N 1 1 11 4790 1 1 25 LYS NZ N -6.366 -3.238 -7.163 1.00 . A A . 25 LYS NZ 1 1 11 4791 1 1 25 LYS O O -2.716 -1.403 -0.622 1.00 . A A . 25 LYS O 1 1 11 4792 1 1 26 CYS C C -4.716 0.923 -0.612 1.00 . A A . 26 CYS C 1 1 11 4793 1 1 26 CYS CA C -3.372 1.141 -1.307 1.00 . A A . 26 CYS CA 1 1 11 4794 1 1 26 CYS CB C -3.378 2.461 -2.067 1.00 . A A . 26 CYS CB 1 1 11 4795 1 1 26 CYS H H -3.136 0.223 -3.228 1.00 . A A . 26 CYS H 1 1 11 4796 1 1 26 CYS HA H -2.595 1.163 -0.557 1.00 . A A . 26 CYS HA 1 1 11 4797 1 1 26 CYS HB2 H -3.976 2.351 -2.952 1.00 . A A . 26 CYS HB2 1 1 11 4798 1 1 26 CYS HB3 H -3.852 3.205 -1.450 1.00 . A A . 26 CYS HB3 1 1 11 4799 1 1 26 CYS N N -3.086 0.043 -2.267 1.00 . A A . 26 CYS N 1 1 11 4800 1 1 26 CYS O O -5.468 0.030 -0.953 1.00 . A A . 26 CYS O 1 1 11 4801 1 1 26 CYS SG S -1.773 3.127 -2.564 1.00 . A A . 26 CYS SG 1 1 11 4802 1 1 27 VAL C C -6.995 3.032 0.998 1.00 . A A . 27 VAL C 1 1 11 4803 1 1 27 VAL CA C -6.224 1.701 1.146 1.00 . A A . 27 VAL CA 1 1 11 4804 1 1 27 VAL CB C -5.838 1.417 2.627 1.00 . A A . 27 VAL CB 1 1 11 4805 1 1 27 VAL CG1 C -7.111 1.239 3.484 1.00 . A A . 27 VAL CG1 1 1 11 4806 1 1 27 VAL CG2 C -5.012 0.104 2.697 1.00 . A A . 27 VAL CG2 1 1 11 4807 1 1 27 VAL H H -4.285 2.446 0.560 1.00 . A A . 27 VAL H 1 1 11 4808 1 1 27 VAL HA H -6.844 0.898 0.770 1.00 . A A . 27 VAL HA 1 1 11 4809 1 1 27 VAL HB H -5.250 2.237 3.014 1.00 . A A . 27 VAL HB 1 1 11 4810 1 1 27 VAL HG11 H -7.805 0.570 2.995 1.00 . A A . 27 VAL HG11 1 1 11 4811 1 1 27 VAL HG12 H -6.856 0.828 4.451 1.00 . A A . 27 VAL HG12 1 1 11 4812 1 1 27 VAL HG13 H -7.596 2.193 3.637 1.00 . A A . 27 VAL HG13 1 1 11 4813 1 1 27 VAL HG21 H -5.585 -0.719 2.294 1.00 . A A . 27 VAL HG21 1 1 11 4814 1 1 27 VAL HG22 H -4.100 0.195 2.126 1.00 . A A . 27 VAL HG22 1 1 11 4815 1 1 27 VAL HG23 H -4.751 -0.122 3.720 1.00 . A A . 27 VAL HG23 1 1 11 4816 1 1 27 VAL N N -4.958 1.763 0.354 1.00 . A A . 27 VAL N 1 1 11 4817 1 1 27 VAL O O -8.205 2.974 1.138 1.00 . A A . 27 VAL O 1 1 11 4818 1 1 27 VAL OXT O -6.342 4.034 0.752 1.00 . A A . 27 VAL OXT 1 1 12 4819 1 1 1 CYS C C -1.532 10.194 -4.403 1.00 . A A . 1 CYS C 1 1 12 4820 1 1 1 CYS CA C -0.625 11.108 -3.553 1.00 . A A . 1 CYS CA 1 1 12 4821 1 1 1 CYS CB C -1.437 12.066 -2.629 1.00 . A A . 1 CYS CB 1 1 12 4822 1 1 1 CYS H1 H 0.652 11.306 -5.183 1.00 . A A . 1 CYS H1 1 1 12 4823 1 1 1 CYS H2 H -0.528 12.522 -5.074 1.00 . A A . 1 CYS H2 1 1 12 4824 1 1 1 CYS H3 H 0.809 12.542 -4.027 1.00 . A A . 1 CYS H3 1 1 12 4825 1 1 1 CYS HA H 0.071 10.508 -2.983 1.00 . A A . 1 CYS HA 1 1 12 4826 1 1 1 CYS HB2 H -1.314 11.724 -1.615 1.00 . A A . 1 CYS HB2 1 1 12 4827 1 1 1 CYS HB3 H -0.973 13.040 -2.678 1.00 . A A . 1 CYS HB3 1 1 12 4828 1 1 1 CYS N N 0.135 11.931 -4.533 1.00 . A A . 1 CYS N 1 1 12 4829 1 1 1 CYS O O -2.448 10.651 -5.057 1.00 . A A . 1 CYS O 1 1 12 4830 1 1 1 CYS SG S -3.207 12.325 -2.904 1.00 . A A . 1 CYS SG 1 1 12 4831 1 1 2 ARG C C -3.365 7.511 -4.526 1.00 . A A . 2 ARG C 1 1 12 4832 1 1 2 ARG CA C -2.018 7.902 -5.144 1.00 . A A . 2 ARG CA 1 1 12 4833 1 1 2 ARG CB C -1.151 6.630 -5.311 1.00 . A A . 2 ARG CB 1 1 12 4834 1 1 2 ARG CD C -0.689 6.935 -7.781 1.00 . A A . 2 ARG CD 1 1 12 4835 1 1 2 ARG CG C -0.054 6.866 -6.375 1.00 . A A . 2 ARG CG 1 1 12 4836 1 1 2 ARG CZ C 0.186 5.516 -9.541 1.00 . A A . 2 ARG CZ 1 1 12 4837 1 1 2 ARG H H -0.487 8.620 -3.812 1.00 . A A . 2 ARG H 1 1 12 4838 1 1 2 ARG HA H -2.221 8.321 -6.120 1.00 . A A . 2 ARG HA 1 1 12 4839 1 1 2 ARG HB2 H -0.683 6.379 -4.372 1.00 . A A . 2 ARG HB2 1 1 12 4840 1 1 2 ARG HB3 H -1.771 5.797 -5.611 1.00 . A A . 2 ARG HB3 1 1 12 4841 1 1 2 ARG HD2 H -1.527 6.258 -7.863 1.00 . A A . 2 ARG HD2 1 1 12 4842 1 1 2 ARG HD3 H -1.027 7.939 -7.991 1.00 . A A . 2 ARG HD3 1 1 12 4843 1 1 2 ARG HE H 1.160 7.114 -8.876 1.00 . A A . 2 ARG HE 1 1 12 4844 1 1 2 ARG HG2 H 0.474 7.785 -6.165 1.00 . A A . 2 ARG HG2 1 1 12 4845 1 1 2 ARG HG3 H 0.657 6.053 -6.342 1.00 . A A . 2 ARG HG3 1 1 12 4846 1 1 2 ARG HH11 H -1.125 6.442 -10.736 1.00 . A A . 2 ARG HH11 1 1 12 4847 1 1 2 ARG HH12 H -0.776 4.795 -11.141 1.00 . A A . 2 ARG HH12 1 1 12 4848 1 1 2 ARG HH21 H 1.468 4.407 -8.478 1.00 . A A . 2 ARG HH21 1 1 12 4849 1 1 2 ARG HH22 H 0.730 3.613 -9.830 1.00 . A A . 2 ARG HH22 1 1 12 4850 1 1 2 ARG N N -1.236 8.917 -4.365 1.00 . A A . 2 ARG N 1 1 12 4851 1 1 2 ARG NE N 0.352 6.567 -8.785 1.00 . A A . 2 ARG NE 1 1 12 4852 1 1 2 ARG NH1 N -0.636 5.591 -10.552 1.00 . A A . 2 ARG NH1 1 1 12 4853 1 1 2 ARG NH2 N 0.847 4.427 -9.261 1.00 . A A . 2 ARG NH2 1 1 12 4854 1 1 2 ARG O O -3.613 7.713 -3.355 1.00 . A A . 2 ARG O 1 1 12 4855 1 1 3 ILE C C -5.491 5.210 -4.125 1.00 . A A . 3 ILE C 1 1 12 4856 1 1 3 ILE CA C -5.555 6.493 -4.985 1.00 . A A . 3 ILE CA 1 1 12 4857 1 1 3 ILE CB C -6.349 6.239 -6.287 1.00 . A A . 3 ILE CB 1 1 12 4858 1 1 3 ILE CD1 C -6.478 4.732 -8.336 1.00 . A A . 3 ILE CD1 1 1 12 4859 1 1 3 ILE CG1 C -5.593 5.198 -7.175 1.00 . A A . 3 ILE CG1 1 1 12 4860 1 1 3 ILE CG2 C -6.511 7.573 -7.055 1.00 . A A . 3 ILE CG2 1 1 12 4861 1 1 3 ILE H H -3.919 6.821 -6.306 1.00 . A A . 3 ILE H 1 1 12 4862 1 1 3 ILE HA H -6.024 7.280 -4.412 1.00 . A A . 3 ILE HA 1 1 12 4863 1 1 3 ILE HB H -7.322 5.853 -6.039 1.00 . A A . 3 ILE HB 1 1 12 4864 1 1 3 ILE HD11 H -7.464 4.474 -7.979 1.00 . A A . 3 ILE HD11 1 1 12 4865 1 1 3 ILE HD12 H -6.561 5.516 -9.075 1.00 . A A . 3 ILE HD12 1 1 12 4866 1 1 3 ILE HD13 H -6.034 3.864 -8.799 1.00 . A A . 3 ILE HD13 1 1 12 4867 1 1 3 ILE HG12 H -4.686 5.628 -7.571 1.00 . A A . 3 ILE HG12 1 1 12 4868 1 1 3 ILE HG13 H -5.331 4.334 -6.585 1.00 . A A . 3 ILE HG13 1 1 12 4869 1 1 3 ILE HG21 H -6.917 8.331 -6.401 1.00 . A A . 3 ILE HG21 1 1 12 4870 1 1 3 ILE HG22 H -5.557 7.915 -7.430 1.00 . A A . 3 ILE HG22 1 1 12 4871 1 1 3 ILE HG23 H -7.185 7.443 -7.888 1.00 . A A . 3 ILE HG23 1 1 12 4872 1 1 3 ILE N N -4.190 6.951 -5.373 1.00 . A A . 3 ILE N 1 1 12 4873 1 1 3 ILE O O -4.464 4.560 -4.092 1.00 . A A . 3 ILE O 1 1 12 4874 1 1 4 HYP C C -6.675 2.448 -4.059 1.00 . A A . 4 HYP C 1 1 12 4875 1 1 4 HYP CA C -6.808 3.500 -2.947 1.00 . A A . 4 HYP CA 1 1 12 4876 1 1 4 HYP CB C -8.215 3.501 -2.337 1.00 . A A . 4 HYP CB 1 1 12 4877 1 1 4 HYP CD C -7.681 5.823 -3.128 1.00 . A A . 4 HYP CD 1 1 12 4878 1 1 4 HYP CG C -8.661 4.987 -2.274 1.00 . A A . 4 HYP CG 1 1 12 4879 1 1 4 HYP HA H -6.082 3.293 -2.176 1.00 . A A . 4 HYP HA 1 1 12 4880 1 1 4 HYP HB2 H -8.205 3.045 -1.361 1.00 . A A . 4 HYP HB2 1 1 12 4881 1 1 4 HYP HB3 H -8.901 2.951 -2.963 1.00 . A A . 4 HYP HB3 1 1 12 4882 1 1 4 HYP HD1 H -8.630 6.320 -0.855 1.00 . A A . 4 HYP HD1 1 1 12 4883 1 1 4 HYP HD22 H -7.287 6.671 -2.587 1.00 . A A . 4 HYP HD22 1 1 12 4884 1 1 4 HYP HD23 H -8.162 6.153 -4.037 1.00 . A A . 4 HYP HD23 1 1 12 4885 1 1 4 HYP HG H -9.698 5.138 -2.534 1.00 . A A . 4 HYP HG 1 1 12 4886 1 1 4 HYP N N -6.578 4.880 -3.458 1.00 . A A . 4 HYP N 1 1 12 4887 1 1 4 HYP O O -6.947 2.739 -5.206 1.00 . A A . 4 HYP O 1 1 12 4888 1 1 4 HYP OD1 O -8.418 5.386 -0.932 1.00 . A A . 4 HYP OD1 1 1 12 4889 1 1 5 ASN C C -4.778 0.152 -5.399 1.00 . A A . 5 ASN C 1 1 12 4890 1 1 5 ASN CA C -6.039 0.070 -4.522 1.00 . A A . 5 ASN CA 1 1 12 4891 1 1 5 ASN CB C -7.319 -0.164 -5.434 1.00 . A A . 5 ASN CB 1 1 12 4892 1 1 5 ASN CG C -7.230 0.302 -6.914 1.00 . A A . 5 ASN CG 1 1 12 4893 1 1 5 ASN H H -6.071 1.180 -2.693 1.00 . A A . 5 ASN H 1 1 12 4894 1 1 5 ASN HA H -5.929 -0.783 -3.870 1.00 . A A . 5 ASN HA 1 1 12 4895 1 1 5 ASN HB2 H -7.533 -1.223 -5.439 1.00 . A A . 5 ASN HB2 1 1 12 4896 1 1 5 ASN HB3 H -8.168 0.332 -4.986 1.00 . A A . 5 ASN HB3 1 1 12 4897 1 1 5 ASN HD21 H -5.893 1.752 -6.644 1.00 . A A . 5 ASN HD21 1 1 12 4898 1 1 5 ASN HD22 H -6.427 1.543 -8.238 1.00 . A A . 5 ASN HD22 1 1 12 4899 1 1 5 ASN N N -6.257 1.275 -3.649 1.00 . A A . 5 ASN N 1 1 12 4900 1 1 5 ASN ND2 N -6.451 1.281 -7.294 1.00 . A A . 5 ASN ND2 1 1 12 4901 1 1 5 ASN O O -4.397 -0.833 -6.001 1.00 . A A . 5 ASN O 1 1 12 4902 1 1 5 ASN OD1 O -7.900 -0.250 -7.763 1.00 . A A . 5 ASN OD1 1 1 12 4903 1 1 6 GLN C C -1.828 0.556 -5.769 1.00 . A A . 6 GLN C 1 1 12 4904 1 1 6 GLN CA C -2.936 1.490 -6.279 1.00 . A A . 6 GLN CA 1 1 12 4905 1 1 6 GLN CB C -2.480 2.963 -6.183 1.00 . A A . 6 GLN CB 1 1 12 4906 1 1 6 GLN CD C -1.827 3.209 -8.596 1.00 . A A . 6 GLN CD 1 1 12 4907 1 1 6 GLN CG C -1.311 3.226 -7.152 1.00 . A A . 6 GLN CG 1 1 12 4908 1 1 6 GLN H H -4.522 2.073 -4.948 1.00 . A A . 6 GLN H 1 1 12 4909 1 1 6 GLN HA H -3.171 1.238 -7.304 1.00 . A A . 6 GLN HA 1 1 12 4910 1 1 6 GLN HB2 H -3.305 3.617 -6.422 1.00 . A A . 6 GLN HB2 1 1 12 4911 1 1 6 GLN HB3 H -2.160 3.184 -5.178 1.00 . A A . 6 GLN HB3 1 1 12 4912 1 1 6 GLN HE21 H -2.994 4.792 -8.334 1.00 . A A . 6 GLN HE21 1 1 12 4913 1 1 6 GLN HE22 H -3.026 4.117 -9.891 1.00 . A A . 6 GLN HE22 1 1 12 4914 1 1 6 GLN HG2 H -0.877 4.192 -6.950 1.00 . A A . 6 GLN HG2 1 1 12 4915 1 1 6 GLN HG3 H -0.542 2.474 -7.042 1.00 . A A . 6 GLN HG3 1 1 12 4916 1 1 6 GLN N N -4.169 1.311 -5.452 1.00 . A A . 6 GLN N 1 1 12 4917 1 1 6 GLN NE2 N -2.688 4.115 -8.972 1.00 . A A . 6 GLN NE2 1 1 12 4918 1 1 6 GLN O O -1.471 0.614 -4.609 1.00 . A A . 6 GLN O 1 1 12 4919 1 1 6 GLN OE1 O -1.452 2.372 -9.393 1.00 . A A . 6 GLN OE1 1 1 12 4920 1 1 7 LYS C C 0.935 -0.491 -5.628 1.00 . A A . 7 LYS C 1 1 12 4921 1 1 7 LYS CA C -0.240 -1.231 -6.288 1.00 . A A . 7 LYS CA 1 1 12 4922 1 1 7 LYS CB C 0.228 -1.967 -7.571 1.00 . A A . 7 LYS CB 1 1 12 4923 1 1 7 LYS CD C 2.463 -3.101 -7.050 1.00 . A A . 7 LYS CD 1 1 12 4924 1 1 7 LYS CE C 3.161 -3.390 -8.391 1.00 . A A . 7 LYS CE 1 1 12 4925 1 1 7 LYS CG C 0.929 -3.303 -7.193 1.00 . A A . 7 LYS CG 1 1 12 4926 1 1 7 LYS H H -1.665 -0.253 -7.576 1.00 . A A . 7 LYS H 1 1 12 4927 1 1 7 LYS HA H -0.651 -1.942 -5.588 1.00 . A A . 7 LYS HA 1 1 12 4928 1 1 7 LYS HB2 H -0.636 -2.192 -8.180 1.00 . A A . 7 LYS HB2 1 1 12 4929 1 1 7 LYS HB3 H 0.889 -1.340 -8.151 1.00 . A A . 7 LYS HB3 1 1 12 4930 1 1 7 LYS HD2 H 2.694 -2.093 -6.741 1.00 . A A . 7 LYS HD2 1 1 12 4931 1 1 7 LYS HD3 H 2.844 -3.777 -6.297 1.00 . A A . 7 LYS HD3 1 1 12 4932 1 1 7 LYS HE2 H 2.598 -2.977 -9.216 1.00 . A A . 7 LYS HE2 1 1 12 4933 1 1 7 LYS HE3 H 4.151 -2.958 -8.395 1.00 . A A . 7 LYS HE3 1 1 12 4934 1 1 7 LYS HG2 H 0.536 -3.679 -6.259 1.00 . A A . 7 LYS HG2 1 1 12 4935 1 1 7 LYS HG3 H 0.724 -4.040 -7.957 1.00 . A A . 7 LYS HG3 1 1 12 4936 1 1 7 LYS HZ1 H 2.464 -5.338 -8.165 1.00 . A A . 7 LYS HZ1 1 1 12 4937 1 1 7 LYS HZ2 H 3.323 -5.074 -9.606 1.00 . A A . 7 LYS HZ2 1 1 12 4938 1 1 7 LYS HZ3 H 4.156 -5.199 -8.130 1.00 . A A . 7 LYS HZ3 1 1 12 4939 1 1 7 LYS N N -1.324 -0.268 -6.657 1.00 . A A . 7 LYS N 1 1 12 4940 1 1 7 LYS NZ N 3.286 -4.861 -8.589 1.00 . A A . 7 LYS NZ 1 1 12 4941 1 1 7 LYS O O 1.722 0.164 -6.285 1.00 . A A . 7 LYS O 1 1 12 4942 1 1 8 CYS C C 2.527 -0.917 -2.406 1.00 . A A . 8 CYS C 1 1 12 4943 1 1 8 CYS CA C 2.059 0.019 -3.515 1.00 . A A . 8 CYS CA 1 1 12 4944 1 1 8 CYS CB C 1.493 1.287 -2.918 1.00 . A A . 8 CYS CB 1 1 12 4945 1 1 8 CYS H H 0.310 -1.170 -3.875 1.00 . A A . 8 CYS H 1 1 12 4946 1 1 8 CYS HA H 2.903 0.255 -4.149 1.00 . A A . 8 CYS HA 1 1 12 4947 1 1 8 CYS HB2 H 2.283 1.811 -2.400 1.00 . A A . 8 CYS HB2 1 1 12 4948 1 1 8 CYS HB3 H 1.161 1.911 -3.732 1.00 . A A . 8 CYS HB3 1 1 12 4949 1 1 8 CYS N N 0.990 -0.628 -4.328 1.00 . A A . 8 CYS N 1 1 12 4950 1 1 8 CYS O O 1.740 -1.649 -1.841 1.00 . A A . 8 CYS O 1 1 12 4951 1 1 8 CYS SG S 0.097 1.126 -1.779 1.00 . A A . 8 CYS SG 1 1 12 4952 1 1 9 PHE C C 4.302 -1.007 0.288 1.00 . A A . 9 PHE C 1 1 12 4953 1 1 9 PHE CA C 4.372 -1.730 -1.056 1.00 . A A . 9 PHE CA 1 1 12 4954 1 1 9 PHE CB C 5.834 -2.063 -1.415 1.00 . A A . 9 PHE CB 1 1 12 4955 1 1 9 PHE CD1 C 5.262 -3.725 -3.246 1.00 . A A . 9 PHE CD1 1 1 12 4956 1 1 9 PHE CD2 C 6.544 -4.495 -1.387 1.00 . A A . 9 PHE CD2 1 1 12 4957 1 1 9 PHE CE1 C 5.303 -4.987 -3.800 1.00 . A A . 9 PHE CE1 1 1 12 4958 1 1 9 PHE CE2 C 6.585 -5.759 -1.942 1.00 . A A . 9 PHE CE2 1 1 12 4959 1 1 9 PHE CG C 5.884 -3.469 -2.034 1.00 . A A . 9 PHE CG 1 1 12 4960 1 1 9 PHE CZ C 5.965 -6.005 -3.148 1.00 . A A . 9 PHE CZ 1 1 12 4961 1 1 9 PHE H H 4.385 -0.244 -2.615 1.00 . A A . 9 PHE H 1 1 12 4962 1 1 9 PHE HA H 3.785 -2.636 -0.984 1.00 . A A . 9 PHE HA 1 1 12 4963 1 1 9 PHE HB2 H 6.219 -1.356 -2.135 1.00 . A A . 9 PHE HB2 1 1 12 4964 1 1 9 PHE HB3 H 6.462 -2.042 -0.534 1.00 . A A . 9 PHE HB3 1 1 12 4965 1 1 9 PHE HD1 H 4.742 -2.932 -3.763 1.00 . A A . 9 PHE HD1 1 1 12 4966 1 1 9 PHE HD2 H 7.033 -4.311 -0.442 1.00 . A A . 9 PHE HD2 1 1 12 4967 1 1 9 PHE HE1 H 4.817 -5.179 -4.745 1.00 . A A . 9 PHE HE1 1 1 12 4968 1 1 9 PHE HE2 H 7.105 -6.556 -1.430 1.00 . A A . 9 PHE HE2 1 1 12 4969 1 1 9 PHE HZ H 5.998 -6.994 -3.580 1.00 . A A . 9 PHE HZ 1 1 12 4970 1 1 9 PHE N N 3.802 -0.860 -2.125 1.00 . A A . 9 PHE N 1 1 12 4971 1 1 9 PHE O O 4.255 0.207 0.351 1.00 . A A . 9 PHE O 1 1 12 4972 1 1 10 GLN C C 5.300 -0.228 2.973 1.00 . A A . 10 GLN C 1 1 12 4973 1 1 10 GLN CA C 4.230 -1.301 2.720 1.00 . A A . 10 GLN CA 1 1 12 4974 1 1 10 GLN CB C 4.426 -2.500 3.674 1.00 . A A . 10 GLN CB 1 1 12 4975 1 1 10 GLN CD C 2.966 -4.127 2.376 1.00 . A A . 10 GLN CD 1 1 12 4976 1 1 10 GLN CG C 3.147 -3.380 3.708 1.00 . A A . 10 GLN CG 1 1 12 4977 1 1 10 GLN H H 4.331 -2.773 1.178 1.00 . A A . 10 GLN H 1 1 12 4978 1 1 10 GLN HA H 3.254 -0.870 2.864 1.00 . A A . 10 GLN HA 1 1 12 4979 1 1 10 GLN HB2 H 5.270 -3.091 3.348 1.00 . A A . 10 GLN HB2 1 1 12 4980 1 1 10 GLN HB3 H 4.630 -2.141 4.672 1.00 . A A . 10 GLN HB3 1 1 12 4981 1 1 10 GLN HE21 H 1.437 -2.998 1.797 1.00 . A A . 10 GLN HE21 1 1 12 4982 1 1 10 GLN HE22 H 1.897 -4.218 0.710 1.00 . A A . 10 GLN HE22 1 1 12 4983 1 1 10 GLN HG2 H 3.229 -4.109 4.501 1.00 . A A . 10 GLN HG2 1 1 12 4984 1 1 10 GLN HG3 H 2.273 -2.771 3.890 1.00 . A A . 10 GLN HG3 1 1 12 4985 1 1 10 GLN N N 4.294 -1.808 1.321 1.00 . A A . 10 GLN N 1 1 12 4986 1 1 10 GLN NE2 N 2.021 -3.748 1.561 1.00 . A A . 10 GLN NE2 1 1 12 4987 1 1 10 GLN O O 5.071 0.721 3.695 1.00 . A A . 10 GLN O 1 1 12 4988 1 1 10 GLN OE1 O 3.680 -5.060 2.065 1.00 . A A . 10 GLN OE1 1 1 12 4989 1 1 11 HIS C C 7.428 1.664 1.478 1.00 . A A . 11 HIS C 1 1 12 4990 1 1 11 HIS CA C 7.579 0.527 2.497 1.00 . A A . 11 HIS CA 1 1 12 4991 1 1 11 HIS CB C 8.895 -0.233 2.253 1.00 . A A . 11 HIS CB 1 1 12 4992 1 1 11 HIS CD2 C 8.393 -1.652 4.456 1.00 . A A . 11 HIS CD2 1 1 12 4993 1 1 11 HIS CE1 C 10.280 -2.475 4.700 1.00 . A A . 11 HIS CE1 1 1 12 4994 1 1 11 HIS CG C 9.193 -1.181 3.425 1.00 . A A . 11 HIS CG 1 1 12 4995 1 1 11 HIS H H 6.544 -1.219 1.787 1.00 . A A . 11 HIS H 1 1 12 4996 1 1 11 HIS HA H 7.572 0.950 3.491 1.00 . A A . 11 HIS HA 1 1 12 4997 1 1 11 HIS HB2 H 8.826 -0.817 1.347 1.00 . A A . 11 HIS HB2 1 1 12 4998 1 1 11 HIS HB3 H 9.716 0.462 2.158 1.00 . A A . 11 HIS HB3 1 1 12 4999 1 1 11 HIS HD1 H 11.141 -1.604 3.088 1.00 . A A . 11 HIS HD1 1 1 12 5000 1 1 11 HIS HD2 H 7.352 -1.402 4.601 1.00 . A A . 11 HIS HD2 1 1 12 5001 1 1 11 HIS HE1 H 11.112 -3.041 5.092 1.00 . A A . 11 HIS HE1 1 1 12 5002 1 1 11 HIS N N 6.438 -0.427 2.355 1.00 . A A . 11 HIS N 1 1 12 5003 1 1 11 HIS ND1 N 10.342 -1.731 3.642 1.00 . A A . 11 HIS ND1 1 1 12 5004 1 1 11 HIS NE2 N 9.086 -2.456 5.239 1.00 . A A . 11 HIS NE2 1 1 12 5005 1 1 11 HIS O O 7.613 2.820 1.805 1.00 . A A . 11 HIS O 1 1 12 5006 1 1 12 LEU C C 5.428 2.707 -0.882 1.00 . A A . 12 LEU C 1 1 12 5007 1 1 12 LEU CA C 6.905 2.282 -0.832 1.00 . A A . 12 LEU CA 1 1 12 5008 1 1 12 LEU CB C 7.340 1.626 -2.169 1.00 . A A . 12 LEU CB 1 1 12 5009 1 1 12 LEU CD1 C 8.925 -0.332 -1.797 1.00 . A A . 12 LEU CD1 1 1 12 5010 1 1 12 LEU CD2 C 9.545 1.480 -3.424 1.00 . A A . 12 LEU CD2 1 1 12 5011 1 1 12 LEU CG C 8.837 1.184 -2.085 1.00 . A A . 12 LEU CG 1 1 12 5012 1 1 12 LEU H H 6.956 0.333 0.088 1.00 . A A . 12 LEU H 1 1 12 5013 1 1 12 LEU HA H 7.511 3.156 -0.639 1.00 . A A . 12 LEU HA 1 1 12 5014 1 1 12 LEU HB2 H 6.705 0.781 -2.386 1.00 . A A . 12 LEU HB2 1 1 12 5015 1 1 12 LEU HB3 H 7.215 2.350 -2.962 1.00 . A A . 12 LEU HB3 1 1 12 5016 1 1 12 LEU HD11 H 8.408 -0.572 -0.880 1.00 . A A . 12 LEU HD11 1 1 12 5017 1 1 12 LEU HD12 H 8.482 -0.896 -2.604 1.00 . A A . 12 LEU HD12 1 1 12 5018 1 1 12 LEU HD13 H 9.959 -0.627 -1.693 1.00 . A A . 12 LEU HD13 1 1 12 5019 1 1 12 LEU HD21 H 9.504 2.537 -3.641 1.00 . A A . 12 LEU HD21 1 1 12 5020 1 1 12 LEU HD22 H 10.582 1.180 -3.366 1.00 . A A . 12 LEU HD22 1 1 12 5021 1 1 12 LEU HD23 H 9.071 0.940 -4.231 1.00 . A A . 12 LEU HD23 1 1 12 5022 1 1 12 LEU HG H 9.345 1.725 -1.299 1.00 . A A . 12 LEU HG 1 1 12 5023 1 1 12 LEU N N 7.090 1.286 0.269 1.00 . A A . 12 LEU N 1 1 12 5024 1 1 12 LEU O O 4.750 2.560 -1.883 1.00 . A A . 12 LEU O 1 1 12 5025 1 1 13 ASP C C 3.399 5.041 -0.359 1.00 . A A . 13 ASP C 1 1 12 5026 1 1 13 ASP CA C 3.570 3.691 0.356 1.00 . A A . 13 ASP CA 1 1 12 5027 1 1 13 ASP CB C 3.223 3.814 1.863 1.00 . A A . 13 ASP CB 1 1 12 5028 1 1 13 ASP CG C 1.711 3.622 2.083 1.00 . A A . 13 ASP CG 1 1 12 5029 1 1 13 ASP H H 5.584 3.314 1.002 1.00 . A A . 13 ASP H 1 1 12 5030 1 1 13 ASP HA H 2.926 2.963 -0.115 1.00 . A A . 13 ASP HA 1 1 12 5031 1 1 13 ASP HB2 H 3.761 3.056 2.416 1.00 . A A . 13 ASP HB2 1 1 12 5032 1 1 13 ASP HB3 H 3.509 4.780 2.253 1.00 . A A . 13 ASP HB3 1 1 12 5033 1 1 13 ASP N N 4.981 3.227 0.234 1.00 . A A . 13 ASP N 1 1 12 5034 1 1 13 ASP O O 3.619 6.096 0.208 1.00 . A A . 13 ASP O 1 1 12 5035 1 1 13 ASP OD1 O 0.955 4.314 1.416 1.00 . A A . 13 ASP OD1 1 1 12 5036 1 1 13 ASP OD2 O 1.393 2.787 2.914 1.00 . A A . 13 ASP OD2 1 1 12 5037 1 1 14 ASP C C 1.343 6.675 -2.339 1.00 . A A . 14 ASP C 1 1 12 5038 1 1 14 ASP CA C 2.786 6.157 -2.452 1.00 . A A . 14 ASP CA 1 1 12 5039 1 1 14 ASP CB C 3.103 5.774 -3.910 1.00 . A A . 14 ASP CB 1 1 12 5040 1 1 14 ASP CG C 2.474 4.408 -4.256 1.00 . A A . 14 ASP CG 1 1 12 5041 1 1 14 ASP H H 2.845 4.070 -2.000 1.00 . A A . 14 ASP H 1 1 12 5042 1 1 14 ASP HA H 3.460 6.941 -2.136 1.00 . A A . 14 ASP HA 1 1 12 5043 1 1 14 ASP HB2 H 2.700 6.514 -4.579 1.00 . A A . 14 ASP HB2 1 1 12 5044 1 1 14 ASP HB3 H 4.172 5.727 -4.055 1.00 . A A . 14 ASP HB3 1 1 12 5045 1 1 14 ASP N N 3.005 4.950 -1.601 1.00 . A A . 14 ASP N 1 1 12 5046 1 1 14 ASP O O 1.004 7.669 -2.949 1.00 . A A . 14 ASP O 1 1 12 5047 1 1 14 ASP OD1 O 1.267 4.389 -4.443 1.00 . A A . 14 ASP OD1 1 1 12 5048 1 1 14 ASP OD2 O 3.239 3.459 -4.309 1.00 . A A . 14 ASP OD2 1 1 12 5049 1 1 15 CYS C C -1.095 7.707 -0.655 1.00 . A A . 15 CYS C 1 1 12 5050 1 1 15 CYS CA C -0.884 6.373 -1.363 1.00 . A A . 15 CYS CA 1 1 12 5051 1 1 15 CYS CB C -1.553 5.275 -0.562 1.00 . A A . 15 CYS CB 1 1 12 5052 1 1 15 CYS H H 0.876 5.198 -1.089 1.00 . A A . 15 CYS H 1 1 12 5053 1 1 15 CYS HA H -1.357 6.424 -2.333 1.00 . A A . 15 CYS HA 1 1 12 5054 1 1 15 CYS HB2 H -1.344 5.446 0.483 1.00 . A A . 15 CYS HB2 1 1 12 5055 1 1 15 CYS HB3 H -2.622 5.328 -0.702 1.00 . A A . 15 CYS HB3 1 1 12 5056 1 1 15 CYS N N 0.544 5.988 -1.563 1.00 . A A . 15 CYS N 1 1 12 5057 1 1 15 CYS O O -0.230 8.203 0.040 1.00 . A A . 15 CYS O 1 1 12 5058 1 1 15 CYS SG S -1.010 3.593 -0.924 1.00 . A A . 15 CYS SG 1 1 12 5059 1 1 16 CYS C C -3.042 9.187 1.187 1.00 . A A . 16 CYS C 1 1 12 5060 1 1 16 CYS CA C -2.676 9.530 -0.265 1.00 . A A . 16 CYS CA 1 1 12 5061 1 1 16 CYS CB C -3.890 10.090 -1.032 1.00 . A A . 16 CYS CB 1 1 12 5062 1 1 16 CYS H H -2.908 7.756 -1.452 1.00 . A A . 16 CYS H 1 1 12 5063 1 1 16 CYS HA H -1.840 10.212 -0.274 1.00 . A A . 16 CYS HA 1 1 12 5064 1 1 16 CYS HB2 H -3.848 9.738 -2.050 1.00 . A A . 16 CYS HB2 1 1 12 5065 1 1 16 CYS HB3 H -4.801 9.709 -0.594 1.00 . A A . 16 CYS HB3 1 1 12 5066 1 1 16 CYS N N -2.275 8.229 -0.876 1.00 . A A . 16 CYS N 1 1 12 5067 1 1 16 CYS O O -2.813 9.955 2.103 1.00 . A A . 16 CYS O 1 1 12 5068 1 1 16 CYS SG S -4.021 11.892 -1.106 1.00 . A A . 16 CYS SG 1 1 12 5069 1 1 17 SER C C -2.813 6.911 3.390 1.00 . A A . 17 SER C 1 1 12 5070 1 1 17 SER CA C -4.039 7.465 2.637 1.00 . A A . 17 SER CA 1 1 12 5071 1 1 17 SER CB C -5.053 6.353 2.370 1.00 . A A . 17 SER CB 1 1 12 5072 1 1 17 SER H H -3.760 7.453 0.533 1.00 . A A . 17 SER H 1 1 12 5073 1 1 17 SER HA H -4.489 8.254 3.223 1.00 . A A . 17 SER HA 1 1 12 5074 1 1 17 SER HB2 H -5.455 5.966 3.288 1.00 . A A . 17 SER HB2 1 1 12 5075 1 1 17 SER HB3 H -5.852 6.683 1.721 1.00 . A A . 17 SER HB3 1 1 12 5076 1 1 17 SER HG H -4.695 4.488 1.927 1.00 . A A . 17 SER HG 1 1 12 5077 1 1 17 SER N N -3.606 8.011 1.322 1.00 . A A . 17 SER N 1 1 12 5078 1 1 17 SER O O -2.960 6.382 4.476 1.00 . A A . 17 SER O 1 1 12 5079 1 1 17 SER OG O -4.300 5.338 1.717 1.00 . A A . 17 SER OG 1 1 12 5080 1 1 18 ARG C C -0.447 5.179 3.957 1.00 . A A . 18 ARG C 1 1 12 5081 1 1 18 ARG CA C -0.347 6.581 3.330 1.00 . A A . 18 ARG CA 1 1 12 5082 1 1 18 ARG CB C 0.159 7.634 4.381 1.00 . A A . 18 ARG CB 1 1 12 5083 1 1 18 ARG CD C -0.095 8.659 6.686 1.00 . A A . 18 ARG CD 1 1 12 5084 1 1 18 ARG CG C -0.767 7.769 5.619 1.00 . A A . 18 ARG CG 1 1 12 5085 1 1 18 ARG CZ C -0.240 10.879 5.718 1.00 . A A . 18 ARG CZ 1 1 12 5086 1 1 18 ARG H H -1.650 7.488 1.895 1.00 . A A . 18 ARG H 1 1 12 5087 1 1 18 ARG HA H 0.362 6.543 2.516 1.00 . A A . 18 ARG HA 1 1 12 5088 1 1 18 ARG HB2 H 1.149 7.345 4.706 1.00 . A A . 18 ARG HB2 1 1 12 5089 1 1 18 ARG HB3 H 0.238 8.594 3.893 1.00 . A A . 18 ARG HB3 1 1 12 5090 1 1 18 ARG HD2 H -0.289 8.263 7.673 1.00 . A A . 18 ARG HD2 1 1 12 5091 1 1 18 ARG HD3 H 0.975 8.723 6.542 1.00 . A A . 18 ARG HD3 1 1 12 5092 1 1 18 ARG HE H -1.410 10.288 7.209 1.00 . A A . 18 ARG HE 1 1 12 5093 1 1 18 ARG HG2 H -1.700 8.228 5.328 1.00 . A A . 18 ARG HG2 1 1 12 5094 1 1 18 ARG HG3 H -0.975 6.799 6.045 1.00 . A A . 18 ARG HG3 1 1 12 5095 1 1 18 ARG HH11 H 1.148 11.608 6.960 1.00 . A A . 18 ARG HH11 1 1 12 5096 1 1 18 ARG HH12 H 1.104 12.325 5.383 1.00 . A A . 18 ARG HH12 1 1 12 5097 1 1 18 ARG HH21 H -1.551 10.296 4.320 1.00 . A A . 18 ARG HH21 1 1 12 5098 1 1 18 ARG HH22 H -0.467 11.562 3.849 1.00 . A A . 18 ARG HH22 1 1 12 5099 1 1 18 ARG N N -1.658 7.052 2.773 1.00 . A A . 18 ARG N 1 1 12 5100 1 1 18 ARG NE N -0.687 10.029 6.601 1.00 . A A . 18 ARG NE 1 1 12 5101 1 1 18 ARG NH1 N 0.747 11.665 6.045 1.00 . A A . 18 ARG NH1 1 1 12 5102 1 1 18 ARG NH2 N -0.796 10.915 4.537 1.00 . A A . 18 ARG NH2 1 1 12 5103 1 1 18 ARG O O 0.262 4.848 4.888 1.00 . A A . 18 ARG O 1 1 12 5104 1 1 19 LYS C C -1.693 2.044 2.684 1.00 . A A . 19 LYS C 1 1 12 5105 1 1 19 LYS CA C -1.585 3.010 3.873 1.00 . A A . 19 LYS CA 1 1 12 5106 1 1 19 LYS CB C -2.883 3.021 4.676 1.00 . A A . 19 LYS CB 1 1 12 5107 1 1 19 LYS CD C -3.898 3.648 6.892 1.00 . A A . 19 LYS CD 1 1 12 5108 1 1 19 LYS CE C -3.657 3.667 8.413 1.00 . A A . 19 LYS CE 1 1 12 5109 1 1 19 LYS CG C -2.582 3.302 6.162 1.00 . A A . 19 LYS CG 1 1 12 5110 1 1 19 LYS H H -1.884 4.718 2.654 1.00 . A A . 19 LYS H 1 1 12 5111 1 1 19 LYS HA H -0.762 2.691 4.497 1.00 . A A . 19 LYS HA 1 1 12 5112 1 1 19 LYS HB2 H -3.542 3.785 4.285 1.00 . A A . 19 LYS HB2 1 1 12 5113 1 1 19 LYS HB3 H -3.371 2.072 4.557 1.00 . A A . 19 LYS HB3 1 1 12 5114 1 1 19 LYS HD2 H -4.250 4.616 6.570 1.00 . A A . 19 LYS HD2 1 1 12 5115 1 1 19 LYS HD3 H -4.654 2.911 6.659 1.00 . A A . 19 LYS HD3 1 1 12 5116 1 1 19 LYS HE2 H -4.596 3.777 8.935 1.00 . A A . 19 LYS HE2 1 1 12 5117 1 1 19 LYS HE3 H -3.183 2.751 8.734 1.00 . A A . 19 LYS HE3 1 1 12 5118 1 1 19 LYS HG2 H -2.124 2.431 6.609 1.00 . A A . 19 LYS HG2 1 1 12 5119 1 1 19 LYS HG3 H -1.899 4.135 6.247 1.00 . A A . 19 LYS HG3 1 1 12 5120 1 1 19 LYS HZ1 H -1.972 4.857 8.121 1.00 . A A . 19 LYS HZ1 1 1 12 5121 1 1 19 LYS HZ2 H -3.318 5.699 8.723 1.00 . A A . 19 LYS HZ2 1 1 12 5122 1 1 19 LYS HZ3 H -2.424 4.683 9.749 1.00 . A A . 19 LYS HZ3 1 1 12 5123 1 1 19 LYS N N -1.342 4.397 3.402 1.00 . A A . 19 LYS N 1 1 12 5124 1 1 19 LYS NZ N -2.776 4.814 8.780 1.00 . A A . 19 LYS NZ 1 1 12 5125 1 1 19 LYS O O -2.488 2.254 1.788 1.00 . A A . 19 LYS O 1 1 12 5126 1 1 20 CYS C C -1.126 -1.352 2.377 1.00 . A A . 20 CYS C 1 1 12 5127 1 1 20 CYS CA C -0.842 -0.022 1.665 1.00 . A A . 20 CYS CA 1 1 12 5128 1 1 20 CYS CB C 0.542 0.015 1.043 1.00 . A A . 20 CYS CB 1 1 12 5129 1 1 20 CYS H H -0.250 0.910 3.463 1.00 . A A . 20 CYS H 1 1 12 5130 1 1 20 CYS HA H -1.612 0.179 0.934 1.00 . A A . 20 CYS HA 1 1 12 5131 1 1 20 CYS HB2 H 1.279 -0.023 1.830 1.00 . A A . 20 CYS HB2 1 1 12 5132 1 1 20 CYS HB3 H 0.662 -0.864 0.445 1.00 . A A . 20 CYS HB3 1 1 12 5133 1 1 20 CYS N N -0.877 1.018 2.723 1.00 . A A . 20 CYS N 1 1 12 5134 1 1 20 CYS O O -0.321 -1.817 3.161 1.00 . A A . 20 CYS O 1 1 12 5135 1 1 20 CYS SG S 0.886 1.483 0.046 1.00 . A A . 20 CYS SG 1 1 12 5136 1 1 21 ASN C C -1.763 -4.417 2.386 1.00 . A A . 21 ASN C 1 1 12 5137 1 1 21 ASN CA C -2.676 -3.220 2.701 1.00 . A A . 21 ASN CA 1 1 12 5138 1 1 21 ASN CB C -4.123 -3.524 2.246 1.00 . A A . 21 ASN CB 1 1 12 5139 1 1 21 ASN CG C -4.208 -3.776 0.733 1.00 . A A . 21 ASN CG 1 1 12 5140 1 1 21 ASN H H -2.864 -1.493 1.431 1.00 . A A . 21 ASN H 1 1 12 5141 1 1 21 ASN HA H -2.685 -3.084 3.773 1.00 . A A . 21 ASN HA 1 1 12 5142 1 1 21 ASN HB2 H -4.504 -4.396 2.759 1.00 . A A . 21 ASN HB2 1 1 12 5143 1 1 21 ASN HB3 H -4.761 -2.687 2.489 1.00 . A A . 21 ASN HB3 1 1 12 5144 1 1 21 ASN HD21 H -6.191 -3.674 0.737 1.00 . A A . 21 ASN HD21 1 1 12 5145 1 1 21 ASN HD22 H -5.469 -3.975 -0.768 1.00 . A A . 21 ASN HD22 1 1 12 5146 1 1 21 ASN N N -2.266 -1.922 2.077 1.00 . A A . 21 ASN N 1 1 12 5147 1 1 21 ASN ND2 N -5.390 -3.811 0.189 1.00 . A A . 21 ASN ND2 1 1 12 5148 1 1 21 ASN O O -0.739 -4.290 1.745 1.00 . A A . 21 ASN O 1 1 12 5149 1 1 21 ASN OD1 O -3.228 -3.944 0.034 1.00 . A A . 21 ASN OD1 1 1 12 5150 1 1 22 ARG C C -1.413 -7.295 1.232 1.00 . A A . 22 ARG C 1 1 12 5151 1 1 22 ARG CA C -1.489 -6.839 2.695 1.00 . A A . 22 ARG CA 1 1 12 5152 1 1 22 ARG CB C -2.207 -7.901 3.552 1.00 . A A . 22 ARG CB 1 1 12 5153 1 1 22 ARG CD C -4.125 -9.310 2.655 1.00 . A A . 22 ARG CD 1 1 12 5154 1 1 22 ARG CG C -3.736 -7.947 3.247 1.00 . A A . 22 ARG CG 1 1 12 5155 1 1 22 ARG CZ C -3.912 -11.633 3.290 1.00 . A A . 22 ARG CZ 1 1 12 5156 1 1 22 ARG H H -3.040 -5.567 3.367 1.00 . A A . 22 ARG H 1 1 12 5157 1 1 22 ARG HA H -0.496 -6.694 3.075 1.00 . A A . 22 ARG HA 1 1 12 5158 1 1 22 ARG HB2 H -1.752 -8.861 3.371 1.00 . A A . 22 ARG HB2 1 1 12 5159 1 1 22 ARG HB3 H -2.066 -7.658 4.594 1.00 . A A . 22 ARG HB3 1 1 12 5160 1 1 22 ARG HD2 H -5.190 -9.342 2.486 1.00 . A A . 22 ARG HD2 1 1 12 5161 1 1 22 ARG HD3 H -3.605 -9.487 1.725 1.00 . A A . 22 ARG HD3 1 1 12 5162 1 1 22 ARG HE H -3.437 -10.148 4.523 1.00 . A A . 22 ARG HE 1 1 12 5163 1 1 22 ARG HG2 H -4.286 -7.788 4.163 1.00 . A A . 22 ARG HG2 1 1 12 5164 1 1 22 ARG HG3 H -4.019 -7.175 2.547 1.00 . A A . 22 ARG HG3 1 1 12 5165 1 1 22 ARG HH11 H -5.819 -11.704 3.893 1.00 . A A . 22 ARG HH11 1 1 12 5166 1 1 22 ARG HH12 H -5.187 -13.175 3.231 1.00 . A A . 22 ARG HH12 1 1 12 5167 1 1 22 ARG HH21 H -2.030 -11.777 2.628 1.00 . A A . 22 ARG HH21 1 1 12 5168 1 1 22 ARG HH22 H -2.984 -13.218 2.495 1.00 . A A . 22 ARG HH22 1 1 12 5169 1 1 22 ARG N N -2.205 -5.550 2.869 1.00 . A A . 22 ARG N 1 1 12 5170 1 1 22 ARG NE N -3.772 -10.382 3.632 1.00 . A A . 22 ARG NE 1 1 12 5171 1 1 22 ARG NH1 N -5.063 -12.216 3.486 1.00 . A A . 22 ARG NH1 1 1 12 5172 1 1 22 ARG NH2 N -2.896 -12.258 2.763 1.00 . A A . 22 ARG NH2 1 1 12 5173 1 1 22 ARG O O -0.596 -8.128 0.891 1.00 . A A . 22 ARG O 1 1 12 5174 1 1 23 PHE C C -1.337 -6.159 -1.795 1.00 . A A . 23 PHE C 1 1 12 5175 1 1 23 PHE CA C -2.299 -7.083 -1.033 1.00 . A A . 23 PHE CA 1 1 12 5176 1 1 23 PHE CB C -3.729 -6.892 -1.545 1.00 . A A . 23 PHE CB 1 1 12 5177 1 1 23 PHE CD1 C -4.546 -9.261 -1.132 1.00 . A A . 23 PHE CD1 1 1 12 5178 1 1 23 PHE CD2 C -5.740 -7.466 -0.115 1.00 . A A . 23 PHE CD2 1 1 12 5179 1 1 23 PHE CE1 C -5.423 -10.165 -0.568 1.00 . A A . 23 PHE CE1 1 1 12 5180 1 1 23 PHE CE2 C -6.617 -8.369 0.449 1.00 . A A . 23 PHE CE2 1 1 12 5181 1 1 23 PHE CG C -4.697 -7.905 -0.910 1.00 . A A . 23 PHE CG 1 1 12 5182 1 1 23 PHE CZ C -6.459 -9.720 0.222 1.00 . A A . 23 PHE CZ 1 1 12 5183 1 1 23 PHE H H -2.908 -6.065 0.732 1.00 . A A . 23 PHE H 1 1 12 5184 1 1 23 PHE HA H -1.980 -8.108 -1.169 1.00 . A A . 23 PHE HA 1 1 12 5185 1 1 23 PHE HB2 H -4.069 -5.891 -1.324 1.00 . A A . 23 PHE HB2 1 1 12 5186 1 1 23 PHE HB3 H -3.746 -7.022 -2.610 1.00 . A A . 23 PHE HB3 1 1 12 5187 1 1 23 PHE HD1 H -3.738 -9.622 -1.750 1.00 . A A . 23 PHE HD1 1 1 12 5188 1 1 23 PHE HD2 H -5.872 -6.411 0.069 1.00 . A A . 23 PHE HD2 1 1 12 5189 1 1 23 PHE HE1 H -5.298 -11.223 -0.747 1.00 . A A . 23 PHE HE1 1 1 12 5190 1 1 23 PHE HE2 H -7.428 -8.018 1.069 1.00 . A A . 23 PHE HE2 1 1 12 5191 1 1 23 PHE HZ H -7.146 -10.427 0.663 1.00 . A A . 23 PHE HZ 1 1 12 5192 1 1 23 PHE N N -2.268 -6.732 0.413 1.00 . A A . 23 PHE N 1 1 12 5193 1 1 23 PHE O O -1.362 -6.114 -3.011 1.00 . A A . 23 PHE O 1 1 12 5194 1 1 24 ASN C C -0.236 -3.552 -2.606 1.00 . A A . 24 ASN C 1 1 12 5195 1 1 24 ASN CA C 0.479 -4.501 -1.635 1.00 . A A . 24 ASN CA 1 1 12 5196 1 1 24 ASN CB C 1.585 -5.318 -2.350 1.00 . A A . 24 ASN CB 1 1 12 5197 1 1 24 ASN CG C 2.408 -6.042 -1.277 1.00 . A A . 24 ASN CG 1 1 12 5198 1 1 24 ASN H H -0.554 -5.549 -0.076 1.00 . A A . 24 ASN H 1 1 12 5199 1 1 24 ASN HA H 0.900 -3.912 -0.835 1.00 . A A . 24 ASN HA 1 1 12 5200 1 1 24 ASN HB2 H 1.166 -6.048 -3.027 1.00 . A A . 24 ASN HB2 1 1 12 5201 1 1 24 ASN HB3 H 2.241 -4.662 -2.904 1.00 . A A . 24 ASN HB3 1 1 12 5202 1 1 24 ASN HD21 H 3.922 -4.764 -1.392 1.00 . A A . 24 ASN HD21 1 1 12 5203 1 1 24 ASN HD22 H 4.117 -6.019 -0.267 1.00 . A A . 24 ASN HD22 1 1 12 5204 1 1 24 ASN N N -0.517 -5.452 -1.050 1.00 . A A . 24 ASN N 1 1 12 5205 1 1 24 ASN ND2 N 3.580 -5.569 -0.952 1.00 . A A . 24 ASN ND2 1 1 12 5206 1 1 24 ASN O O 0.231 -3.251 -3.686 1.00 . A A . 24 ASN O 1 1 12 5207 1 1 24 ASN OD1 O 1.991 -7.040 -0.725 1.00 . A A . 24 ASN OD1 1 1 12 5208 1 1 25 LYS C C -2.642 -1.096 -1.867 1.00 . A A . 25 LYS C 1 1 12 5209 1 1 25 LYS CA C -2.278 -2.195 -2.864 1.00 . A A . 25 LYS CA 1 1 12 5210 1 1 25 LYS CB C -3.524 -2.962 -3.307 1.00 . A A . 25 LYS CB 1 1 12 5211 1 1 25 LYS CD C -4.647 -4.011 -5.296 1.00 . A A . 25 LYS CD 1 1 12 5212 1 1 25 LYS CE C -4.483 -4.267 -6.802 1.00 . A A . 25 LYS CE 1 1 12 5213 1 1 25 LYS CG C -3.295 -3.556 -4.711 1.00 . A A . 25 LYS CG 1 1 12 5214 1 1 25 LYS H H -1.678 -3.432 -1.253 1.00 . A A . 25 LYS H 1 1 12 5215 1 1 25 LYS HA H -1.754 -1.752 -3.697 1.00 . A A . 25 LYS HA 1 1 12 5216 1 1 25 LYS HB2 H -3.726 -3.764 -2.611 1.00 . A A . 25 LYS HB2 1 1 12 5217 1 1 25 LYS HB3 H -4.367 -2.296 -3.297 1.00 . A A . 25 LYS HB3 1 1 12 5218 1 1 25 LYS HD2 H -4.969 -4.919 -4.806 1.00 . A A . 25 LYS HD2 1 1 12 5219 1 1 25 LYS HD3 H -5.398 -3.250 -5.142 1.00 . A A . 25 LYS HD3 1 1 12 5220 1 1 25 LYS HE2 H -4.111 -3.382 -7.297 1.00 . A A . 25 LYS HE2 1 1 12 5221 1 1 25 LYS HE3 H -3.797 -5.083 -6.972 1.00 . A A . 25 LYS HE3 1 1 12 5222 1 1 25 LYS HG2 H -2.850 -2.814 -5.356 1.00 . A A . 25 LYS HG2 1 1 12 5223 1 1 25 LYS HG3 H -2.625 -4.401 -4.644 1.00 . A A . 25 LYS HG3 1 1 12 5224 1 1 25 LYS HZ1 H -6.233 -5.391 -6.846 1.00 . A A . 25 LYS HZ1 1 1 12 5225 1 1 25 LYS HZ2 H -6.424 -3.791 -7.380 1.00 . A A . 25 LYS HZ2 1 1 12 5226 1 1 25 LYS HZ3 H -5.663 -4.935 -8.379 1.00 . A A . 25 LYS HZ3 1 1 12 5227 1 1 25 LYS N N -1.380 -3.128 -2.134 1.00 . A A . 25 LYS N 1 1 12 5228 1 1 25 LYS NZ N -5.801 -4.623 -7.397 1.00 . A A . 25 LYS NZ 1 1 12 5229 1 1 25 LYS O O -2.589 -1.319 -0.673 1.00 . A A . 25 LYS O 1 1 12 5230 1 1 26 CYS C C -4.702 0.929 -0.738 1.00 . A A . 26 CYS C 1 1 12 5231 1 1 26 CYS CA C -3.368 1.166 -1.441 1.00 . A A . 26 CYS CA 1 1 12 5232 1 1 26 CYS CB C -3.428 2.460 -2.236 1.00 . A A . 26 CYS CB 1 1 12 5233 1 1 26 CYS H H -3.048 0.205 -3.330 1.00 . A A . 26 CYS H 1 1 12 5234 1 1 26 CYS HA H -2.596 1.256 -0.691 1.00 . A A . 26 CYS HA 1 1 12 5235 1 1 26 CYS HB2 H -4.004 2.288 -3.126 1.00 . A A . 26 CYS HB2 1 1 12 5236 1 1 26 CYS HB3 H -3.947 3.201 -1.654 1.00 . A A . 26 CYS HB3 1 1 12 5237 1 1 26 CYS N N -3.006 0.058 -2.363 1.00 . A A . 26 CYS N 1 1 12 5238 1 1 26 CYS O O -5.449 0.028 -1.065 1.00 . A A . 26 CYS O 1 1 12 5239 1 1 26 CYS SG S -1.841 3.179 -2.715 1.00 . A A . 26 CYS SG 1 1 12 5240 1 1 27 VAL C C -6.936 3.085 0.900 1.00 . A A . 27 VAL C 1 1 12 5241 1 1 27 VAL CA C -6.168 1.750 1.053 1.00 . A A . 27 VAL CA 1 1 12 5242 1 1 27 VAL CB C -5.734 1.497 2.526 1.00 . A A . 27 VAL CB 1 1 12 5243 1 1 27 VAL CG1 C -6.974 1.336 3.438 1.00 . A A . 27 VAL CG1 1 1 12 5244 1 1 27 VAL CG2 C -4.911 0.183 2.594 1.00 . A A . 27 VAL CG2 1 1 12 5245 1 1 27 VAL H H -4.245 2.468 0.395 1.00 . A A . 27 VAL H 1 1 12 5246 1 1 27 VAL HA H -6.804 0.945 0.713 1.00 . A A . 27 VAL HA 1 1 12 5247 1 1 27 VAL HB H -5.129 2.322 2.873 1.00 . A A . 27 VAL HB 1 1 12 5248 1 1 27 VAL HG11 H -7.730 0.741 2.946 1.00 . A A . 27 VAL HG11 1 1 12 5249 1 1 27 VAL HG12 H -6.700 0.848 4.363 1.00 . A A . 27 VAL HG12 1 1 12 5250 1 1 27 VAL HG13 H -7.389 2.304 3.673 1.00 . A A . 27 VAL HG13 1 1 12 5251 1 1 27 VAL HG21 H -4.042 0.239 1.956 1.00 . A A . 27 VAL HG21 1 1 12 5252 1 1 27 VAL HG22 H -4.579 0.000 3.607 1.00 . A A . 27 VAL HG22 1 1 12 5253 1 1 27 VAL HG23 H -5.521 -0.648 2.273 1.00 . A A . 27 VAL HG23 1 1 12 5254 1 1 27 VAL N N -4.926 1.784 0.222 1.00 . A A . 27 VAL N 1 1 12 5255 1 1 27 VAL O O -6.323 4.033 0.438 1.00 . A A . 27 VAL O 1 1 12 5256 1 1 27 VAL OXT O -8.105 3.088 1.250 1.00 . A A . 27 VAL OXT 1 1 13 5257 1 1 1 CYS C C -1.562 10.374 -4.652 1.00 . A A . 1 CYS C 1 1 13 5258 1 1 1 CYS CA C -1.051 11.541 -3.785 1.00 . A A . 1 CYS CA 1 1 13 5259 1 1 1 CYS CB C -2.169 12.155 -2.898 1.00 . A A . 1 CYS CB 1 1 13 5260 1 1 1 CYS H1 H -1.355 12.877 -5.349 1.00 . A A . 1 CYS H1 1 1 13 5261 1 1 1 CYS H2 H -0.246 13.418 -4.185 1.00 . A A . 1 CYS H2 1 1 13 5262 1 1 1 CYS H3 H 0.209 12.216 -5.296 1.00 . A A . 1 CYS H3 1 1 13 5263 1 1 1 CYS HA H -0.219 11.207 -3.182 1.00 . A A . 1 CYS HA 1 1 13 5264 1 1 1 CYS HB2 H -1.985 11.846 -1.881 1.00 . A A . 1 CYS HB2 1 1 13 5265 1 1 1 CYS HB3 H -2.050 13.228 -2.916 1.00 . A A . 1 CYS HB3 1 1 13 5266 1 1 1 CYS N N -0.573 12.593 -4.724 1.00 . A A . 1 CYS N 1 1 13 5267 1 1 1 CYS O O -2.361 10.579 -5.546 1.00 . A A . 1 CYS O 1 1 13 5268 1 1 1 CYS SG S -3.914 11.825 -3.249 1.00 . A A . 1 CYS SG 1 1 13 5269 1 1 2 ARG C C -2.880 7.491 -4.649 1.00 . A A . 2 ARG C 1 1 13 5270 1 1 2 ARG CA C -1.508 7.973 -5.141 1.00 . A A . 2 ARG CA 1 1 13 5271 1 1 2 ARG CB C -0.419 6.887 -4.949 1.00 . A A . 2 ARG CB 1 1 13 5272 1 1 2 ARG CD C 0.433 5.580 -6.970 1.00 . A A . 2 ARG CD 1 1 13 5273 1 1 2 ARG CG C -0.659 5.666 -5.878 1.00 . A A . 2 ARG CG 1 1 13 5274 1 1 2 ARG CZ C 0.292 5.760 -9.385 1.00 . A A . 2 ARG CZ 1 1 13 5275 1 1 2 ARG H H -0.456 9.079 -3.621 1.00 . A A . 2 ARG H 1 1 13 5276 1 1 2 ARG HA H -1.578 8.236 -6.188 1.00 . A A . 2 ARG HA 1 1 13 5277 1 1 2 ARG HB2 H 0.548 7.329 -5.141 1.00 . A A . 2 ARG HB2 1 1 13 5278 1 1 2 ARG HB3 H -0.419 6.543 -3.931 1.00 . A A . 2 ARG HB3 1 1 13 5279 1 1 2 ARG HD2 H 1.337 6.097 -6.683 1.00 . A A . 2 ARG HD2 1 1 13 5280 1 1 2 ARG HD3 H 0.674 4.544 -7.166 1.00 . A A . 2 ARG HD3 1 1 13 5281 1 1 2 ARG HE H -0.741 6.943 -8.164 1.00 . A A . 2 ARG HE 1 1 13 5282 1 1 2 ARG HG2 H -0.621 4.765 -5.282 1.00 . A A . 2 ARG HG2 1 1 13 5283 1 1 2 ARG HG3 H -1.635 5.720 -6.340 1.00 . A A . 2 ARG HG3 1 1 13 5284 1 1 2 ARG HH11 H 2.049 6.712 -9.283 1.00 . A A . 2 ARG HH11 1 1 13 5285 1 1 2 ARG HH12 H 1.781 5.784 -10.722 1.00 . A A . 2 ARG HH12 1 1 13 5286 1 1 2 ARG HH21 H -1.397 4.730 -9.690 1.00 . A A . 2 ARG HH21 1 1 13 5287 1 1 2 ARG HH22 H -0.219 4.633 -10.956 1.00 . A A . 2 ARG HH22 1 1 13 5288 1 1 2 ARG N N -1.089 9.184 -4.362 1.00 . A A . 2 ARG N 1 1 13 5289 1 1 2 ARG NE N -0.100 6.203 -8.219 1.00 . A A . 2 ARG NE 1 1 13 5290 1 1 2 ARG NH1 N 1.466 6.113 -9.831 1.00 . A A . 2 ARG NH1 1 1 13 5291 1 1 2 ARG NH2 N -0.503 4.981 -10.063 1.00 . A A . 2 ARG NH2 1 1 13 5292 1 1 2 ARG O O -3.085 7.323 -3.465 1.00 . A A . 2 ARG O 1 1 13 5293 1 1 3 ILE C C -5.190 5.469 -4.450 1.00 . A A . 3 ILE C 1 1 13 5294 1 1 3 ILE CA C -5.159 6.815 -5.226 1.00 . A A . 3 ILE CA 1 1 13 5295 1 1 3 ILE CB C -5.952 6.701 -6.553 1.00 . A A . 3 ILE CB 1 1 13 5296 1 1 3 ILE CD1 C -6.068 5.519 -8.800 1.00 . A A . 3 ILE CD1 1 1 13 5297 1 1 3 ILE CG1 C -5.239 5.710 -7.521 1.00 . A A . 3 ILE CG1 1 1 13 5298 1 1 3 ILE CG2 C -6.073 8.109 -7.209 1.00 . A A . 3 ILE CG2 1 1 13 5299 1 1 3 ILE H H -3.569 7.424 -6.517 1.00 . A A . 3 ILE H 1 1 13 5300 1 1 3 ILE HA H -5.603 7.583 -4.611 1.00 . A A . 3 ILE HA 1 1 13 5301 1 1 3 ILE HB H -6.939 6.334 -6.335 1.00 . A A . 3 ILE HB 1 1 13 5302 1 1 3 ILE HD11 H -7.078 5.233 -8.548 1.00 . A A . 3 ILE HD11 1 1 13 5303 1 1 3 ILE HD12 H -6.092 6.433 -9.373 1.00 . A A . 3 ILE HD12 1 1 13 5304 1 1 3 ILE HD13 H -5.626 4.741 -9.405 1.00 . A A . 3 ILE HD13 1 1 13 5305 1 1 3 ILE HG12 H -4.254 6.070 -7.781 1.00 . A A . 3 ILE HG12 1 1 13 5306 1 1 3 ILE HG13 H -5.137 4.750 -7.040 1.00 . A A . 3 ILE HG13 1 1 13 5307 1 1 3 ILE HG21 H -5.902 8.891 -6.483 1.00 . A A . 3 ILE HG21 1 1 13 5308 1 1 3 ILE HG22 H -5.352 8.223 -8.008 1.00 . A A . 3 ILE HG22 1 1 13 5309 1 1 3 ILE HG23 H -7.064 8.235 -7.620 1.00 . A A . 3 ILE HG23 1 1 13 5310 1 1 3 ILE N N -3.782 7.280 -5.572 1.00 . A A . 3 ILE N 1 1 13 5311 1 1 3 ILE O O -4.279 4.674 -4.586 1.00 . A A . 3 ILE O 1 1 13 5312 1 1 4 HYP C C -6.489 2.763 -4.054 1.00 . A A . 4 HYP C 1 1 13 5313 1 1 4 HYP CA C -6.530 3.925 -3.054 1.00 . A A . 4 HYP CA 1 1 13 5314 1 1 4 HYP CB C -7.912 4.060 -2.412 1.00 . A A . 4 HYP CB 1 1 13 5315 1 1 4 HYP CD C -7.214 6.300 -3.270 1.00 . A A . 4 HYP CD 1 1 13 5316 1 1 4 HYP CG C -8.169 5.582 -2.292 1.00 . A A . 4 HYP CG 1 1 13 5317 1 1 4 HYP HA H -5.805 3.737 -2.277 1.00 . A A . 4 HYP HA 1 1 13 5318 1 1 4 HYP HB2 H -7.939 3.568 -1.453 1.00 . A A . 4 HYP HB2 1 1 13 5319 1 1 4 HYP HB3 H -8.667 3.620 -3.046 1.00 . A A . 4 HYP HB3 1 1 13 5320 1 1 4 HYP HD1 H -7.816 6.871 -0.878 1.00 . A A . 4 HYP HD1 1 1 13 5321 1 1 4 HYP HD22 H -6.700 7.127 -2.799 1.00 . A A . 4 HYP HD22 1 1 13 5322 1 1 4 HYP HD23 H -7.744 6.644 -4.146 1.00 . A A . 4 HYP HD23 1 1 13 5323 1 1 4 HYP HG H -9.208 5.858 -2.406 1.00 . A A . 4 HYP HG 1 1 13 5324 1 1 4 HYP N N -6.226 5.255 -3.661 1.00 . A A . 4 HYP N 1 1 13 5325 1 1 4 HYP O O -6.658 2.963 -5.241 1.00 . A A . 4 HYP O 1 1 13 5326 1 1 4 HYP OD1 O -7.697 5.925 -0.995 1.00 . A A . 4 HYP OD1 1 1 13 5327 1 1 5 ASN C C -4.978 0.215 -5.214 1.00 . A A . 5 ASN C 1 1 13 5328 1 1 5 ASN CA C -6.173 0.292 -4.245 1.00 . A A . 5 ASN CA 1 1 13 5329 1 1 5 ASN CB C -7.533 0.038 -5.022 1.00 . A A . 5 ASN CB 1 1 13 5330 1 1 5 ASN CG C -7.530 0.343 -6.540 1.00 . A A . 5 ASN CG 1 1 13 5331 1 1 5 ASN H H -6.149 1.572 -2.531 1.00 . A A . 5 ASN H 1 1 13 5332 1 1 5 ASN HA H -6.053 -0.492 -3.511 1.00 . A A . 5 ASN HA 1 1 13 5333 1 1 5 ASN HB2 H -7.800 -1.002 -4.899 1.00 . A A . 5 ASN HB2 1 1 13 5334 1 1 5 ASN HB3 H -8.316 0.629 -4.567 1.00 . A A . 5 ASN HB3 1 1 13 5335 1 1 5 ASN HD21 H -8.943 -1.004 -6.902 1.00 . A A . 5 ASN HD21 1 1 13 5336 1 1 5 ASN HD22 H -8.378 -0.163 -8.263 1.00 . A A . 5 ASN HD22 1 1 13 5337 1 1 5 ASN N N -6.265 1.595 -3.504 1.00 . A A . 5 ASN N 1 1 13 5338 1 1 5 ASN ND2 N -8.351 -0.330 -7.299 1.00 . A A . 5 ASN ND2 1 1 13 5339 1 1 5 ASN O O -4.653 -0.860 -5.677 1.00 . A A . 5 ASN O 1 1 13 5340 1 1 5 ASN OD1 O -6.807 1.169 -7.058 1.00 . A A . 5 ASN OD1 1 1 13 5341 1 1 6 GLN C C -2.038 0.515 -5.819 1.00 . A A . 6 GLN C 1 1 13 5342 1 1 6 GLN CA C -3.182 1.323 -6.434 1.00 . A A . 6 GLN CA 1 1 13 5343 1 1 6 GLN CB C -2.736 2.778 -6.686 1.00 . A A . 6 GLN CB 1 1 13 5344 1 1 6 GLN CD C -1.996 2.203 -9.040 1.00 . A A . 6 GLN CD 1 1 13 5345 1 1 6 GLN CG C -1.578 2.835 -7.707 1.00 . A A . 6 GLN CG 1 1 13 5346 1 1 6 GLN H H -4.639 2.177 -5.103 1.00 . A A . 6 GLN H 1 1 13 5347 1 1 6 GLN HA H -3.492 0.856 -7.357 1.00 . A A . 6 GLN HA 1 1 13 5348 1 1 6 GLN HB2 H -3.568 3.346 -7.069 1.00 . A A . 6 GLN HB2 1 1 13 5349 1 1 6 GLN HB3 H -2.411 3.228 -5.759 1.00 . A A . 6 GLN HB3 1 1 13 5350 1 1 6 GLN HE21 H -2.991 3.815 -9.637 1.00 . A A . 6 GLN HE21 1 1 13 5351 1 1 6 GLN HE22 H -2.995 2.516 -10.727 1.00 . A A . 6 GLN HE22 1 1 13 5352 1 1 6 GLN HG2 H -1.327 3.866 -7.890 1.00 . A A . 6 GLN HG2 1 1 13 5353 1 1 6 GLN HG3 H -0.702 2.325 -7.331 1.00 . A A . 6 GLN HG3 1 1 13 5354 1 1 6 GLN N N -4.349 1.331 -5.499 1.00 . A A . 6 GLN N 1 1 13 5355 1 1 6 GLN NE2 N -2.721 2.902 -9.870 1.00 . A A . 6 GLN NE2 1 1 13 5356 1 1 6 GLN O O -1.739 0.660 -4.650 1.00 . A A . 6 GLN O 1 1 13 5357 1 1 6 GLN OE1 O -1.668 1.071 -9.335 1.00 . A A . 6 GLN OE1 1 1 13 5358 1 1 7 LYS C C 0.845 -0.309 -5.554 1.00 . A A . 7 LYS C 1 1 13 5359 1 1 7 LYS CA C -0.307 -1.151 -6.144 1.00 . A A . 7 LYS CA 1 1 13 5360 1 1 7 LYS CB C 0.183 -2.036 -7.329 1.00 . A A . 7 LYS CB 1 1 13 5361 1 1 7 LYS CD C 2.477 -1.431 -8.175 1.00 . A A . 7 LYS CD 1 1 13 5362 1 1 7 LYS CE C 3.260 -0.412 -9.019 1.00 . A A . 7 LYS CE 1 1 13 5363 1 1 7 LYS CG C 0.959 -1.240 -8.406 1.00 . A A . 7 LYS CG 1 1 13 5364 1 1 7 LYS H H -1.721 -0.374 -7.569 1.00 . A A . 7 LYS H 1 1 13 5365 1 1 7 LYS HA H -0.691 -1.805 -5.378 1.00 . A A . 7 LYS HA 1 1 13 5366 1 1 7 LYS HB2 H 0.799 -2.831 -6.936 1.00 . A A . 7 LYS HB2 1 1 13 5367 1 1 7 LYS HB3 H -0.678 -2.494 -7.795 1.00 . A A . 7 LYS HB3 1 1 13 5368 1 1 7 LYS HD2 H 2.723 -1.303 -7.129 1.00 . A A . 7 LYS HD2 1 1 13 5369 1 1 7 LYS HD3 H 2.753 -2.434 -8.460 1.00 . A A . 7 LYS HD3 1 1 13 5370 1 1 7 LYS HE2 H 4.309 -0.668 -9.031 1.00 . A A . 7 LYS HE2 1 1 13 5371 1 1 7 LYS HE3 H 2.891 -0.397 -10.035 1.00 . A A . 7 LYS HE3 1 1 13 5372 1 1 7 LYS HG2 H 0.701 -1.626 -9.382 1.00 . A A . 7 LYS HG2 1 1 13 5373 1 1 7 LYS HG3 H 0.689 -0.194 -8.379 1.00 . A A . 7 LYS HG3 1 1 13 5374 1 1 7 LYS HZ1 H 3.418 0.942 -7.444 1.00 . A A . 7 LYS HZ1 1 1 13 5375 1 1 7 LYS HZ2 H 3.697 1.624 -8.974 1.00 . A A . 7 LYS HZ2 1 1 13 5376 1 1 7 LYS HZ3 H 2.115 1.244 -8.487 1.00 . A A . 7 LYS HZ3 1 1 13 5377 1 1 7 LYS N N -1.433 -0.310 -6.635 1.00 . A A . 7 LYS N 1 1 13 5378 1 1 7 LYS NZ N 3.112 0.953 -8.437 1.00 . A A . 7 LYS NZ 1 1 13 5379 1 1 7 LYS O O 1.443 0.526 -6.203 1.00 . A A . 7 LYS O 1 1 13 5380 1 1 8 CYS C C 2.796 -0.940 -2.588 1.00 . A A . 8 CYS C 1 1 13 5381 1 1 8 CYS CA C 2.153 0.105 -3.511 1.00 . A A . 8 CYS CA 1 1 13 5382 1 1 8 CYS CB C 1.500 1.246 -2.719 1.00 . A A . 8 CYS CB 1 1 13 5383 1 1 8 CYS H H 0.536 -1.255 -3.860 1.00 . A A . 8 CYS H 1 1 13 5384 1 1 8 CYS HA H 2.909 0.488 -4.182 1.00 . A A . 8 CYS HA 1 1 13 5385 1 1 8 CYS HB2 H 2.253 1.718 -2.105 1.00 . A A . 8 CYS HB2 1 1 13 5386 1 1 8 CYS HB3 H 1.169 1.986 -3.431 1.00 . A A . 8 CYS HB3 1 1 13 5387 1 1 8 CYS N N 1.084 -0.576 -4.299 1.00 . A A . 8 CYS N 1 1 13 5388 1 1 8 CYS O O 2.694 -2.125 -2.848 1.00 . A A . 8 CYS O 1 1 13 5389 1 1 8 CYS SG S 0.082 0.876 -1.656 1.00 . A A . 8 CYS SG 1 1 13 5390 1 1 9 PHE C C 4.038 -0.901 0.843 1.00 . A A . 9 PHE C 1 1 13 5391 1 1 9 PHE CA C 4.094 -1.434 -0.587 1.00 . A A . 9 PHE CA 1 1 13 5392 1 1 9 PHE CB C 5.571 -1.640 -1.013 1.00 . A A . 9 PHE CB 1 1 13 5393 1 1 9 PHE CD1 C 5.471 -3.508 -2.725 1.00 . A A . 9 PHE CD1 1 1 13 5394 1 1 9 PHE CD2 C 6.246 -4.040 -0.532 1.00 . A A . 9 PHE CD2 1 1 13 5395 1 1 9 PHE CE1 C 5.643 -4.823 -3.105 1.00 . A A . 9 PHE CE1 1 1 13 5396 1 1 9 PHE CE2 C 6.419 -5.356 -0.912 1.00 . A A . 9 PHE CE2 1 1 13 5397 1 1 9 PHE CG C 5.770 -3.105 -1.435 1.00 . A A . 9 PHE CG 1 1 13 5398 1 1 9 PHE CZ C 6.117 -5.747 -2.200 1.00 . A A . 9 PHE CZ 1 1 13 5399 1 1 9 PHE H H 3.493 0.478 -1.377 1.00 . A A . 9 PHE H 1 1 13 5400 1 1 9 PHE HA H 3.555 -2.371 -0.607 1.00 . A A . 9 PHE HA 1 1 13 5401 1 1 9 PHE HB2 H 5.823 -1.002 -1.847 1.00 . A A . 9 PHE HB2 1 1 13 5402 1 1 9 PHE HB3 H 6.248 -1.419 -0.199 1.00 . A A . 9 PHE HB3 1 1 13 5403 1 1 9 PHE HD1 H 5.100 -2.791 -3.441 1.00 . A A . 9 PHE HD1 1 1 13 5404 1 1 9 PHE HD2 H 6.484 -3.742 0.478 1.00 . A A . 9 PHE HD2 1 1 13 5405 1 1 9 PHE HE1 H 5.405 -5.127 -4.115 1.00 . A A . 9 PHE HE1 1 1 13 5406 1 1 9 PHE HE2 H 6.790 -6.079 -0.202 1.00 . A A . 9 PHE HE2 1 1 13 5407 1 1 9 PHE HZ H 6.251 -6.777 -2.499 1.00 . A A . 9 PHE HZ 1 1 13 5408 1 1 9 PHE N N 3.439 -0.487 -1.540 1.00 . A A . 9 PHE N 1 1 13 5409 1 1 9 PHE O O 3.977 0.292 1.073 1.00 . A A . 9 PHE O 1 1 13 5410 1 1 10 GLN C C 5.169 -0.572 3.585 1.00 . A A . 10 GLN C 1 1 13 5411 1 1 10 GLN CA C 4.019 -1.518 3.216 1.00 . A A . 10 GLN CA 1 1 13 5412 1 1 10 GLN CB C 4.135 -2.837 4.050 1.00 . A A . 10 GLN CB 1 1 13 5413 1 1 10 GLN CD C 4.264 -4.808 2.396 1.00 . A A . 10 GLN CD 1 1 13 5414 1 1 10 GLN CG C 5.051 -3.892 3.356 1.00 . A A . 10 GLN CG 1 1 13 5415 1 1 10 GLN H H 4.105 -2.768 1.486 1.00 . A A . 10 GLN H 1 1 13 5416 1 1 10 GLN HA H 3.082 -1.030 3.405 1.00 . A A . 10 GLN HA 1 1 13 5417 1 1 10 GLN HB2 H 4.551 -2.607 5.020 1.00 . A A . 10 GLN HB2 1 1 13 5418 1 1 10 GLN HB3 H 3.149 -3.247 4.211 1.00 . A A . 10 GLN HB3 1 1 13 5419 1 1 10 GLN HE21 H 2.613 -3.699 2.393 1.00 . A A . 10 GLN HE21 1 1 13 5420 1 1 10 GLN HE22 H 2.547 -5.098 1.436 1.00 . A A . 10 GLN HE22 1 1 13 5421 1 1 10 GLN HG2 H 5.833 -3.404 2.795 1.00 . A A . 10 GLN HG2 1 1 13 5422 1 1 10 GLN HG3 H 5.512 -4.514 4.111 1.00 . A A . 10 GLN HG3 1 1 13 5423 1 1 10 GLN N N 4.061 -1.835 1.759 1.00 . A A . 10 GLN N 1 1 13 5424 1 1 10 GLN NE2 N 3.040 -4.510 2.046 1.00 . A A . 10 GLN NE2 1 1 13 5425 1 1 10 GLN O O 5.061 0.221 4.500 1.00 . A A . 10 GLN O 1 1 13 5426 1 1 10 GLN OE1 O 4.767 -5.819 1.948 1.00 . A A . 10 GLN OE1 1 1 13 5427 1 1 11 HIS C C 7.261 1.450 2.288 1.00 . A A . 11 HIS C 1 1 13 5428 1 1 11 HIS CA C 7.452 0.131 3.046 1.00 . A A . 11 HIS CA 1 1 13 5429 1 1 11 HIS CB C 8.682 -0.615 2.494 1.00 . A A . 11 HIS CB 1 1 13 5430 1 1 11 HIS CD2 C 8.498 -2.581 4.277 1.00 . A A . 11 HIS CD2 1 1 13 5431 1 1 11 HIS CE1 C 10.523 -2.813 4.658 1.00 . A A . 11 HIS CE1 1 1 13 5432 1 1 11 HIS CG C 9.181 -1.663 3.496 1.00 . A A . 11 HIS CG 1 1 13 5433 1 1 11 HIS H H 6.235 -1.376 2.123 1.00 . A A . 11 HIS H 1 1 13 5434 1 1 11 HIS HA H 7.571 0.344 4.098 1.00 . A A . 11 HIS HA 1 1 13 5435 1 1 11 HIS HB2 H 8.433 -1.117 1.569 1.00 . A A . 11 HIS HB2 1 1 13 5436 1 1 11 HIS HB3 H 9.485 0.081 2.304 1.00 . A A . 11 HIS HB3 1 1 13 5437 1 1 11 HIS HD1 H 11.177 -1.372 3.396 1.00 . A A . 11 HIS HD1 1 1 13 5438 1 1 11 HIS HD2 H 7.426 -2.703 4.299 1.00 . A A . 11 HIS HD2 1 1 13 5439 1 1 11 HIS HE1 H 11.460 -3.169 5.061 1.00 . A A . 11 HIS HE1 1 1 13 5440 1 1 11 HIS N N 6.235 -0.706 2.838 1.00 . A A . 11 HIS N 1 1 13 5441 1 1 11 HIS ND1 N 10.424 -1.864 3.783 1.00 . A A . 11 HIS ND1 1 1 13 5442 1 1 11 HIS NE2 N 9.349 -3.289 4.994 1.00 . A A . 11 HIS NE2 1 1 13 5443 1 1 11 HIS O O 7.304 2.521 2.865 1.00 . A A . 11 HIS O 1 1 13 5444 1 1 12 LEU C C 5.351 2.711 -0.135 1.00 . A A . 12 LEU C 1 1 13 5445 1 1 12 LEU CA C 6.846 2.480 0.103 1.00 . A A . 12 LEU CA 1 1 13 5446 1 1 12 LEU CB C 7.592 2.204 -1.229 1.00 . A A . 12 LEU CB 1 1 13 5447 1 1 12 LEU CD1 C 9.857 1.653 -2.211 1.00 . A A . 12 LEU CD1 1 1 13 5448 1 1 12 LEU CD2 C 9.573 3.768 -0.878 1.00 . A A . 12 LEU CD2 1 1 13 5449 1 1 12 LEU CG C 9.132 2.289 -1.005 1.00 . A A . 12 LEU CG 1 1 13 5450 1 1 12 LEU H H 7.019 0.400 0.632 1.00 . A A . 12 LEU H 1 1 13 5451 1 1 12 LEU HA H 7.252 3.365 0.572 1.00 . A A . 12 LEU HA 1 1 13 5452 1 1 12 LEU HB2 H 7.330 1.219 -1.587 1.00 . A A . 12 LEU HB2 1 1 13 5453 1 1 12 LEU HB3 H 7.296 2.928 -1.975 1.00 . A A . 12 LEU HB3 1 1 13 5454 1 1 12 LEU HD11 H 9.596 2.169 -3.124 1.00 . A A . 12 LEU HD11 1 1 13 5455 1 1 12 LEU HD12 H 10.926 1.711 -2.073 1.00 . A A . 12 LEU HD12 1 1 13 5456 1 1 12 LEU HD13 H 9.579 0.614 -2.307 1.00 . A A . 12 LEU HD13 1 1 13 5457 1 1 12 LEU HD21 H 9.207 4.345 -1.715 1.00 . A A . 12 LEU HD21 1 1 13 5458 1 1 12 LEU HD22 H 9.188 4.197 0.036 1.00 . A A . 12 LEU HD22 1 1 13 5459 1 1 12 LEU HD23 H 10.651 3.835 -0.855 1.00 . A A . 12 LEU HD23 1 1 13 5460 1 1 12 LEU HG H 9.406 1.753 -0.106 1.00 . A A . 12 LEU HG 1 1 13 5461 1 1 12 LEU N N 7.049 1.305 1.004 1.00 . A A . 12 LEU N 1 1 13 5462 1 1 12 LEU O O 4.840 2.553 -1.227 1.00 . A A . 12 LEU O 1 1 13 5463 1 1 13 ASP C C 3.085 4.828 0.490 1.00 . A A . 13 ASP C 1 1 13 5464 1 1 13 ASP CA C 3.235 3.355 0.895 1.00 . A A . 13 ASP CA 1 1 13 5465 1 1 13 ASP CB C 2.621 3.072 2.303 1.00 . A A . 13 ASP CB 1 1 13 5466 1 1 13 ASP CG C 3.515 3.608 3.438 1.00 . A A . 13 ASP CG 1 1 13 5467 1 1 13 ASP H H 5.193 3.176 1.780 1.00 . A A . 13 ASP H 1 1 13 5468 1 1 13 ASP HA H 2.775 2.725 0.149 1.00 . A A . 13 ASP HA 1 1 13 5469 1 1 13 ASP HB2 H 1.643 3.527 2.372 1.00 . A A . 13 ASP HB2 1 1 13 5470 1 1 13 ASP HB3 H 2.501 2.006 2.434 1.00 . A A . 13 ASP HB3 1 1 13 5471 1 1 13 ASP N N 4.701 3.080 0.938 1.00 . A A . 13 ASP N 1 1 13 5472 1 1 13 ASP O O 3.018 5.726 1.307 1.00 . A A . 13 ASP O 1 1 13 5473 1 1 13 ASP OD1 O 4.443 2.892 3.781 1.00 . A A . 13 ASP OD1 1 1 13 5474 1 1 13 ASP OD2 O 3.221 4.700 3.899 1.00 . A A . 13 ASP OD2 1 1 13 5475 1 1 14 ASP C C 1.432 6.766 -1.617 1.00 . A A . 14 ASP C 1 1 13 5476 1 1 14 ASP CA C 2.900 6.352 -1.431 1.00 . A A . 14 ASP CA 1 1 13 5477 1 1 14 ASP CB C 3.627 6.291 -2.783 1.00 . A A . 14 ASP CB 1 1 13 5478 1 1 14 ASP CG C 3.143 5.059 -3.580 1.00 . A A . 14 ASP CG 1 1 13 5479 1 1 14 ASP H H 3.091 4.229 -1.398 1.00 . A A . 14 ASP H 1 1 13 5480 1 1 14 ASP HA H 3.385 7.083 -0.799 1.00 . A A . 14 ASP HA 1 1 13 5481 1 1 14 ASP HB2 H 3.423 7.180 -3.354 1.00 . A A . 14 ASP HB2 1 1 13 5482 1 1 14 ASP HB3 H 4.695 6.222 -2.627 1.00 . A A . 14 ASP HB3 1 1 13 5483 1 1 14 ASP N N 3.037 5.004 -0.804 1.00 . A A . 14 ASP N 1 1 13 5484 1 1 14 ASP O O 1.145 7.740 -2.287 1.00 . A A . 14 ASP O 1 1 13 5485 1 1 14 ASP OD1 O 2.113 5.194 -4.220 1.00 . A A . 14 ASP OD1 1 1 13 5486 1 1 14 ASP OD2 O 3.828 4.051 -3.499 1.00 . A A . 14 ASP OD2 1 1 13 5487 1 1 15 CYS C C -1.276 7.650 -0.492 1.00 . A A . 15 CYS C 1 1 13 5488 1 1 15 CYS CA C -0.908 6.306 -1.115 1.00 . A A . 15 CYS CA 1 1 13 5489 1 1 15 CYS CB C -1.656 5.181 -0.421 1.00 . A A . 15 CYS CB 1 1 13 5490 1 1 15 CYS H H 0.837 5.242 -0.482 1.00 . A A . 15 CYS H 1 1 13 5491 1 1 15 CYS HA H -1.195 6.315 -2.151 1.00 . A A . 15 CYS HA 1 1 13 5492 1 1 15 CYS HB2 H -1.626 5.338 0.646 1.00 . A A . 15 CYS HB2 1 1 13 5493 1 1 15 CYS HB3 H -2.688 5.208 -0.732 1.00 . A A . 15 CYS HB3 1 1 13 5494 1 1 15 CYS N N 0.549 6.013 -1.014 1.00 . A A . 15 CYS N 1 1 13 5495 1 1 15 CYS O O -0.541 8.196 0.308 1.00 . A A . 15 CYS O 1 1 13 5496 1 1 15 CYS SG S -1.032 3.515 -0.732 1.00 . A A . 15 CYS SG 1 1 13 5497 1 1 16 CYS C C -3.161 9.271 1.114 1.00 . A A . 16 CYS C 1 1 13 5498 1 1 16 CYS CA C -2.949 9.434 -0.400 1.00 . A A . 16 CYS CA 1 1 13 5499 1 1 16 CYS CB C -4.272 9.723 -1.133 1.00 . A A . 16 CYS CB 1 1 13 5500 1 1 16 CYS H H -2.939 7.627 -1.554 1.00 . A A . 16 CYS H 1 1 13 5501 1 1 16 CYS HA H -2.217 10.206 -0.580 1.00 . A A . 16 CYS HA 1 1 13 5502 1 1 16 CYS HB2 H -4.244 9.243 -2.100 1.00 . A A . 16 CYS HB2 1 1 13 5503 1 1 16 CYS HB3 H -5.087 9.279 -0.579 1.00 . A A . 16 CYS HB3 1 1 13 5504 1 1 16 CYS N N -2.419 8.132 -0.901 1.00 . A A . 16 CYS N 1 1 13 5505 1 1 16 CYS O O -2.962 10.190 1.882 1.00 . A A . 16 CYS O 1 1 13 5506 1 1 16 CYS SG S -4.688 11.460 -1.417 1.00 . A A . 16 CYS SG 1 1 13 5507 1 1 17 SER C C -2.530 7.098 3.489 1.00 . A A . 17 SER C 1 1 13 5508 1 1 17 SER CA C -3.828 7.671 2.872 1.00 . A A . 17 SER CA 1 1 13 5509 1 1 17 SER CB C -4.932 6.612 2.853 1.00 . A A . 17 SER CB 1 1 13 5510 1 1 17 SER H H -3.709 7.389 0.778 1.00 . A A . 17 SER H 1 1 13 5511 1 1 17 SER HA H -4.144 8.531 3.444 1.00 . A A . 17 SER HA 1 1 13 5512 1 1 17 SER HB2 H -5.163 6.283 3.849 1.00 . A A . 17 SER HB2 1 1 13 5513 1 1 17 SER HB3 H -5.827 6.961 2.356 1.00 . A A . 17 SER HB3 1 1 13 5514 1 1 17 SER HG H -4.118 5.852 1.255 1.00 . A A . 17 SER HG 1 1 13 5515 1 1 17 SER N N -3.564 8.072 1.464 1.00 . A A . 17 SER N 1 1 13 5516 1 1 17 SER O O -2.448 6.896 4.684 1.00 . A A . 17 SER O 1 1 13 5517 1 1 17 SER OG O -4.375 5.527 2.122 1.00 . A A . 17 SER OG 1 1 13 5518 1 1 18 ARG C C -0.406 4.933 3.689 1.00 . A A . 18 ARG C 1 1 13 5519 1 1 18 ARG CA C -0.225 6.297 3.003 1.00 . A A . 18 ARG CA 1 1 13 5520 1 1 18 ARG CB C 0.512 7.289 3.959 1.00 . A A . 18 ARG CB 1 1 13 5521 1 1 18 ARG CD C 0.081 9.580 2.922 1.00 . A A . 18 ARG CD 1 1 13 5522 1 1 18 ARG CG C 1.125 8.466 3.155 1.00 . A A . 18 ARG CG 1 1 13 5523 1 1 18 ARG CZ C -0.913 10.010 5.103 1.00 . A A . 18 ARG CZ 1 1 13 5524 1 1 18 ARG H H -1.734 7.057 1.684 1.00 . A A . 18 ARG H 1 1 13 5525 1 1 18 ARG HA H 0.346 6.146 2.097 1.00 . A A . 18 ARG HA 1 1 13 5526 1 1 18 ARG HB2 H -0.159 7.649 4.721 1.00 . A A . 18 ARG HB2 1 1 13 5527 1 1 18 ARG HB3 H 1.322 6.772 4.453 1.00 . A A . 18 ARG HB3 1 1 13 5528 1 1 18 ARG HD2 H 0.414 10.238 2.133 1.00 . A A . 18 ARG HD2 1 1 13 5529 1 1 18 ARG HD3 H -0.872 9.164 2.645 1.00 . A A . 18 ARG HD3 1 1 13 5530 1 1 18 ARG HE H 0.453 11.202 4.293 1.00 . A A . 18 ARG HE 1 1 13 5531 1 1 18 ARG HG2 H 1.963 8.870 3.703 1.00 . A A . 18 ARG HG2 1 1 13 5532 1 1 18 ARG HG3 H 1.489 8.111 2.201 1.00 . A A . 18 ARG HG3 1 1 13 5533 1 1 18 ARG HH11 H -2.488 10.001 3.869 1.00 . A A . 18 ARG HH11 1 1 13 5534 1 1 18 ARG HH12 H -2.819 9.553 5.507 1.00 . A A . 18 ARG HH12 1 1 13 5535 1 1 18 ARG HH21 H 0.509 9.953 6.508 1.00 . A A . 18 ARG HH21 1 1 13 5536 1 1 18 ARG HH22 H -1.083 9.525 7.036 1.00 . A A . 18 ARG HH22 1 1 13 5537 1 1 18 ARG N N -1.567 6.858 2.627 1.00 . A A . 18 ARG N 1 1 13 5538 1 1 18 ARG NE N -0.076 10.386 4.172 1.00 . A A . 18 ARG NE 1 1 13 5539 1 1 18 ARG NH1 N -2.171 9.842 4.803 1.00 . A A . 18 ARG NH1 1 1 13 5540 1 1 18 ARG NH2 N -0.461 9.814 6.309 1.00 . A A . 18 ARG NH2 1 1 13 5541 1 1 18 ARG O O 0.404 4.508 4.490 1.00 . A A . 18 ARG O 1 1 13 5542 1 1 19 LYS C C -1.888 1.948 2.733 1.00 . A A . 19 LYS C 1 1 13 5543 1 1 19 LYS CA C -1.845 2.959 3.881 1.00 . A A . 19 LYS CA 1 1 13 5544 1 1 19 LYS CB C -3.207 3.081 4.546 1.00 . A A . 19 LYS CB 1 1 13 5545 1 1 19 LYS CD C -4.379 4.475 6.291 1.00 . A A . 19 LYS CD 1 1 13 5546 1 1 19 LYS CE C -4.433 4.736 7.804 1.00 . A A . 19 LYS CE 1 1 13 5547 1 1 19 LYS CG C -3.067 3.740 5.937 1.00 . A A . 19 LYS CG 1 1 13 5548 1 1 19 LYS H H -2.108 4.683 2.681 1.00 . A A . 19 LYS H 1 1 13 5549 1 1 19 LYS HA H -1.099 2.645 4.599 1.00 . A A . 19 LYS HA 1 1 13 5550 1 1 19 LYS HB2 H -3.859 3.671 3.918 1.00 . A A . 19 LYS HB2 1 1 13 5551 1 1 19 LYS HB3 H -3.625 2.095 4.634 1.00 . A A . 19 LYS HB3 1 1 13 5552 1 1 19 LYS HD2 H -4.418 5.418 5.766 1.00 . A A . 19 LYS HD2 1 1 13 5553 1 1 19 LYS HD3 H -5.232 3.882 5.995 1.00 . A A . 19 LYS HD3 1 1 13 5554 1 1 19 LYS HE2 H -3.473 5.064 8.173 1.00 . A A . 19 LYS HE2 1 1 13 5555 1 1 19 LYS HE3 H -5.167 5.498 8.020 1.00 . A A . 19 LYS HE3 1 1 13 5556 1 1 19 LYS HG2 H -2.853 2.979 6.674 1.00 . A A . 19 LYS HG2 1 1 13 5557 1 1 19 LYS HG3 H -2.252 4.451 5.935 1.00 . A A . 19 LYS HG3 1 1 13 5558 1 1 19 LYS HZ1 H -5.692 3.104 8.100 1.00 . A A . 19 LYS HZ1 1 1 13 5559 1 1 19 LYS HZ2 H -4.057 2.788 8.433 1.00 . A A . 19 LYS HZ2 1 1 13 5560 1 1 19 LYS HZ3 H -4.985 3.701 9.524 1.00 . A A . 19 LYS HZ3 1 1 13 5561 1 1 19 LYS N N -1.491 4.291 3.331 1.00 . A A . 19 LYS N 1 1 13 5562 1 1 19 LYS NZ N -4.821 3.488 8.520 1.00 . A A . 19 LYS NZ 1 1 13 5563 1 1 19 LYS O O -2.638 2.119 1.792 1.00 . A A . 19 LYS O 1 1 13 5564 1 1 20 CYS C C -1.257 -1.470 2.551 1.00 . A A . 20 CYS C 1 1 13 5565 1 1 20 CYS CA C -0.989 -0.141 1.837 1.00 . A A . 20 CYS CA 1 1 13 5566 1 1 20 CYS CB C 0.407 -0.072 1.244 1.00 . A A . 20 CYS CB 1 1 13 5567 1 1 20 CYS H H -0.486 0.853 3.631 1.00 . A A . 20 CYS H 1 1 13 5568 1 1 20 CYS HA H -1.740 0.024 1.078 1.00 . A A . 20 CYS HA 1 1 13 5569 1 1 20 CYS HB2 H 1.129 -0.045 2.048 1.00 . A A . 20 CYS HB2 1 1 13 5570 1 1 20 CYS HB3 H 0.581 -0.964 0.682 1.00 . A A . 20 CYS HB3 1 1 13 5571 1 1 20 CYS N N -1.074 0.932 2.855 1.00 . A A . 20 CYS N 1 1 13 5572 1 1 20 CYS O O -0.498 -1.877 3.411 1.00 . A A . 20 CYS O 1 1 13 5573 1 1 20 CYS SG S 0.697 1.375 0.201 1.00 . A A . 20 CYS SG 1 1 13 5574 1 1 21 ASN C C -1.745 -4.557 2.499 1.00 . A A . 21 ASN C 1 1 13 5575 1 1 21 ASN CA C -2.731 -3.409 2.782 1.00 . A A . 21 ASN CA 1 1 13 5576 1 1 21 ASN CB C -4.143 -3.765 2.258 1.00 . A A . 21 ASN CB 1 1 13 5577 1 1 21 ASN CG C -4.142 -4.005 0.739 1.00 . A A . 21 ASN CG 1 1 13 5578 1 1 21 ASN H H -2.900 -1.713 1.467 1.00 . A A . 21 ASN H 1 1 13 5579 1 1 21 ASN HA H -2.787 -3.273 3.853 1.00 . A A . 21 ASN HA 1 1 13 5580 1 1 21 ASN HB2 H -4.512 -4.655 2.745 1.00 . A A . 21 ASN HB2 1 1 13 5581 1 1 21 ASN HB3 H -4.821 -2.954 2.475 1.00 . A A . 21 ASN HB3 1 1 13 5582 1 1 21 ASN HD21 H -6.121 -3.900 0.614 1.00 . A A . 21 ASN HD21 1 1 13 5583 1 1 21 ASN HD22 H -5.299 -4.195 -0.841 1.00 . A A . 21 ASN HD22 1 1 13 5584 1 1 21 ASN N N -2.337 -2.102 2.169 1.00 . A A . 21 ASN N 1 1 13 5585 1 1 21 ASN ND2 N -5.285 -4.035 0.121 1.00 . A A . 21 ASN ND2 1 1 13 5586 1 1 21 ASN O O -0.691 -4.364 1.924 1.00 . A A . 21 ASN O 1 1 13 5587 1 1 21 ASN OD1 O -3.122 -4.167 0.098 1.00 . A A . 21 ASN OD1 1 1 13 5588 1 1 22 ARG C C -1.239 -7.398 1.281 1.00 . A A . 22 ARG C 1 1 13 5589 1 1 22 ARG CA C -1.345 -6.959 2.749 1.00 . A A . 22 ARG CA 1 1 13 5590 1 1 22 ARG CB C -1.991 -8.067 3.608 1.00 . A A . 22 ARG CB 1 1 13 5591 1 1 22 ARG CD C -4.039 -9.490 4.005 1.00 . A A . 22 ARG CD 1 1 13 5592 1 1 22 ARG CG C -3.417 -8.402 3.111 1.00 . A A . 22 ARG CG 1 1 13 5593 1 1 22 ARG CZ C -4.587 -9.718 6.355 1.00 . A A . 22 ARG CZ 1 1 13 5594 1 1 22 ARG H H -3.009 -5.813 3.368 1.00 . A A . 22 ARG H 1 1 13 5595 1 1 22 ARG HA H -0.366 -6.746 3.131 1.00 . A A . 22 ARG HA 1 1 13 5596 1 1 22 ARG HB2 H -1.375 -8.949 3.565 1.00 . A A . 22 ARG HB2 1 1 13 5597 1 1 22 ARG HB3 H -2.036 -7.737 4.636 1.00 . A A . 22 ARG HB3 1 1 13 5598 1 1 22 ARG HD2 H -4.985 -9.814 3.599 1.00 . A A . 22 ARG HD2 1 1 13 5599 1 1 22 ARG HD3 H -3.376 -10.342 4.083 1.00 . A A . 22 ARG HD3 1 1 13 5600 1 1 22 ARG HE H -4.180 -7.959 5.521 1.00 . A A . 22 ARG HE 1 1 13 5601 1 1 22 ARG HG2 H -4.038 -7.519 3.125 1.00 . A A . 22 ARG HG2 1 1 13 5602 1 1 22 ARG HG3 H -3.367 -8.774 2.098 1.00 . A A . 22 ARG HG3 1 1 13 5603 1 1 22 ARG HH11 H -2.701 -10.327 6.631 1.00 . A A . 22 ARG HH11 1 1 13 5604 1 1 22 ARG HH12 H -3.877 -11.020 7.696 1.00 . A A . 22 ARG HH12 1 1 13 5605 1 1 22 ARG HH21 H -6.533 -9.252 6.261 1.00 . A A . 22 ARG HH21 1 1 13 5606 1 1 22 ARG HH22 H -6.093 -10.399 7.482 1.00 . A A . 22 ARG HH22 1 1 13 5607 1 1 22 ARG N N -2.151 -5.728 2.922 1.00 . A A . 22 ARG N 1 1 13 5608 1 1 22 ARG NE N -4.269 -8.923 5.368 1.00 . A A . 22 ARG NE 1 1 13 5609 1 1 22 ARG NH1 N -3.648 -10.408 6.940 1.00 . A A . 22 ARG NH1 1 1 13 5610 1 1 22 ARG NH2 N -5.835 -9.795 6.727 1.00 . A A . 22 ARG NH2 1 1 13 5611 1 1 22 ARG O O -0.368 -8.170 0.931 1.00 . A A . 22 ARG O 1 1 13 5612 1 1 23 PHE C C -1.262 -6.244 -1.761 1.00 . A A . 23 PHE C 1 1 13 5613 1 1 23 PHE CA C -2.153 -7.222 -0.981 1.00 . A A . 23 PHE CA 1 1 13 5614 1 1 23 PHE CB C -3.605 -7.135 -1.453 1.00 . A A . 23 PHE CB 1 1 13 5615 1 1 23 PHE CD1 C -4.457 -9.461 -0.914 1.00 . A A . 23 PHE CD1 1 1 13 5616 1 1 23 PHE CD2 C -5.277 -7.635 0.384 1.00 . A A . 23 PHE CD2 1 1 13 5617 1 1 23 PHE CE1 C -5.235 -10.332 -0.179 1.00 . A A . 23 PHE CE1 1 1 13 5618 1 1 23 PHE CE2 C -6.055 -8.507 1.118 1.00 . A A . 23 PHE CE2 1 1 13 5619 1 1 23 PHE CG C -4.472 -8.105 -0.638 1.00 . A A . 23 PHE CG 1 1 13 5620 1 1 23 PHE CZ C -6.034 -9.855 0.837 1.00 . A A . 23 PHE CZ 1 1 13 5621 1 1 23 PHE H H -2.814 -6.268 0.798 1.00 . A A . 23 PHE H 1 1 13 5622 1 1 23 PHE HA H -1.775 -8.225 -1.129 1.00 . A A . 23 PHE HA 1 1 13 5623 1 1 23 PHE HB2 H -3.984 -6.130 -1.333 1.00 . A A . 23 PHE HB2 1 1 13 5624 1 1 23 PHE HB3 H -3.664 -7.402 -2.491 1.00 . A A . 23 PHE HB3 1 1 13 5625 1 1 23 PHE HD1 H -3.833 -9.842 -1.708 1.00 . A A . 23 PHE HD1 1 1 13 5626 1 1 23 PHE HD2 H -5.300 -6.580 0.613 1.00 . A A . 23 PHE HD2 1 1 13 5627 1 1 23 PHE HE1 H -5.216 -11.388 -0.401 1.00 . A A . 23 PHE HE1 1 1 13 5628 1 1 23 PHE HE2 H -6.680 -8.131 1.914 1.00 . A A . 23 PHE HE2 1 1 13 5629 1 1 23 PHE HZ H -6.642 -10.538 1.412 1.00 . A A . 23 PHE HZ 1 1 13 5630 1 1 23 PHE N N -2.132 -6.887 0.469 1.00 . A A . 23 PHE N 1 1 13 5631 1 1 23 PHE O O -1.357 -6.153 -2.970 1.00 . A A . 23 PHE O 1 1 13 5632 1 1 24 ASN C C -0.242 -3.585 -2.554 1.00 . A A . 24 ASN C 1 1 13 5633 1 1 24 ASN CA C 0.515 -4.543 -1.624 1.00 . A A . 24 ASN CA 1 1 13 5634 1 1 24 ASN CB C 1.624 -5.314 -2.384 1.00 . A A . 24 ASN CB 1 1 13 5635 1 1 24 ASN CG C 2.539 -5.969 -1.346 1.00 . A A . 24 ASN CG 1 1 13 5636 1 1 24 ASN H H -0.414 -5.681 -0.059 1.00 . A A . 24 ASN H 1 1 13 5637 1 1 24 ASN HA H 0.943 -3.962 -0.820 1.00 . A A . 24 ASN HA 1 1 13 5638 1 1 24 ASN HB2 H 1.202 -6.082 -3.018 1.00 . A A . 24 ASN HB2 1 1 13 5639 1 1 24 ASN HB3 H 2.216 -4.645 -2.989 1.00 . A A . 24 ASN HB3 1 1 13 5640 1 1 24 ASN HD21 H 3.425 -4.255 -0.885 1.00 . A A . 24 ASN HD21 1 1 13 5641 1 1 24 ASN HD22 H 3.980 -5.612 -0.031 1.00 . A A . 24 ASN HD22 1 1 13 5642 1 1 24 ASN N N -0.425 -5.545 -1.029 1.00 . A A . 24 ASN N 1 1 13 5643 1 1 24 ASN ND2 N 3.386 -5.217 -0.701 1.00 . A A . 24 ASN ND2 1 1 13 5644 1 1 24 ASN O O 0.224 -3.203 -3.608 1.00 . A A . 24 ASN O 1 1 13 5645 1 1 24 ASN OD1 O 2.493 -7.160 -1.114 1.00 . A A . 24 ASN OD1 1 1 13 5646 1 1 25 LYS C C -2.684 -1.223 -1.791 1.00 . A A . 25 LYS C 1 1 13 5647 1 1 25 LYS CA C -2.349 -2.329 -2.790 1.00 . A A . 25 LYS CA 1 1 13 5648 1 1 25 LYS CB C -3.606 -3.103 -3.177 1.00 . A A . 25 LYS CB 1 1 13 5649 1 1 25 LYS CD C -4.633 -4.628 -4.916 1.00 . A A . 25 LYS CD 1 1 13 5650 1 1 25 LYS CE C -5.855 -3.790 -5.353 1.00 . A A . 25 LYS CE 1 1 13 5651 1 1 25 LYS CG C -3.425 -3.718 -4.579 1.00 . A A . 25 LYS CG 1 1 13 5652 1 1 25 LYS H H -1.708 -3.615 -1.228 1.00 . A A . 25 LYS H 1 1 13 5653 1 1 25 LYS HA H -1.862 -1.888 -3.647 1.00 . A A . 25 LYS HA 1 1 13 5654 1 1 25 LYS HB2 H -3.782 -3.889 -2.457 1.00 . A A . 25 LYS HB2 1 1 13 5655 1 1 25 LYS HB3 H -4.452 -2.436 -3.161 1.00 . A A . 25 LYS HB3 1 1 13 5656 1 1 25 LYS HD2 H -4.357 -5.300 -5.715 1.00 . A A . 25 LYS HD2 1 1 13 5657 1 1 25 LYS HD3 H -4.897 -5.222 -4.053 1.00 . A A . 25 LYS HD3 1 1 13 5658 1 1 25 LYS HE2 H -6.720 -4.431 -5.443 1.00 . A A . 25 LYS HE2 1 1 13 5659 1 1 25 LYS HE3 H -6.074 -3.017 -4.631 1.00 . A A . 25 LYS HE3 1 1 13 5660 1 1 25 LYS HG2 H -3.321 -2.937 -5.317 1.00 . A A . 25 LYS HG2 1 1 13 5661 1 1 25 LYS HG3 H -2.525 -4.316 -4.593 1.00 . A A . 25 LYS HG3 1 1 13 5662 1 1 25 LYS HZ1 H -4.581 -3.002 -6.801 1.00 . A A . 25 LYS HZ1 1 1 13 5663 1 1 25 LYS HZ2 H -5.952 -3.780 -7.435 1.00 . A A . 25 LYS HZ2 1 1 13 5664 1 1 25 LYS HZ3 H -6.097 -2.243 -6.725 1.00 . A A . 25 LYS HZ3 1 1 13 5665 1 1 25 LYS N N -1.415 -3.248 -2.086 1.00 . A A . 25 LYS N 1 1 13 5666 1 1 25 LYS NZ N -5.603 -3.157 -6.680 1.00 . A A . 25 LYS NZ 1 1 13 5667 1 1 25 LYS O O -2.611 -1.439 -0.596 1.00 . A A . 25 LYS O 1 1 13 5668 1 1 26 CYS C C -4.749 0.857 -0.727 1.00 . A A . 26 CYS C 1 1 13 5669 1 1 26 CYS CA C -3.384 1.051 -1.381 1.00 . A A . 26 CYS CA 1 1 13 5670 1 1 26 CYS CB C -3.366 2.353 -2.176 1.00 . A A . 26 CYS CB 1 1 13 5671 1 1 26 CYS H H -3.103 0.065 -3.262 1.00 . A A . 26 CYS H 1 1 13 5672 1 1 26 CYS HA H -2.636 1.103 -0.603 1.00 . A A . 26 CYS HA 1 1 13 5673 1 1 26 CYS HB2 H -3.894 2.199 -3.099 1.00 . A A . 26 CYS HB2 1 1 13 5674 1 1 26 CYS HB3 H -3.901 3.100 -1.616 1.00 . A A . 26 CYS HB3 1 1 13 5675 1 1 26 CYS N N -3.046 -0.071 -2.294 1.00 . A A . 26 CYS N 1 1 13 5676 1 1 26 CYS O O -5.514 -0.021 -1.075 1.00 . A A . 26 CYS O 1 1 13 5677 1 1 26 CYS SG S -1.745 3.050 -2.563 1.00 . A A . 26 CYS SG 1 1 13 5678 1 1 27 VAL C C -6.899 3.131 0.939 1.00 . A A . 27 VAL C 1 1 13 5679 1 1 27 VAL CA C -6.256 1.726 1.005 1.00 . A A . 27 VAL CA 1 1 13 5680 1 1 27 VAL CB C -5.907 1.324 2.466 1.00 . A A . 27 VAL CB 1 1 13 5681 1 1 27 VAL CG1 C -7.197 1.096 3.287 1.00 . A A . 27 VAL CG1 1 1 13 5682 1 1 27 VAL CG2 C -5.082 0.008 2.463 1.00 . A A . 27 VAL CG2 1 1 13 5683 1 1 27 VAL H H -4.288 2.384 0.416 1.00 . A A . 27 VAL H 1 1 13 5684 1 1 27 VAL HA H -6.946 1.011 0.579 1.00 . A A . 27 VAL HA 1 1 13 5685 1 1 27 VAL HB H -5.321 2.113 2.912 1.00 . A A . 27 VAL HB 1 1 13 5686 1 1 27 VAL HG11 H -7.910 0.519 2.714 1.00 . A A . 27 VAL HG11 1 1 13 5687 1 1 27 VAL HG12 H -6.972 0.564 4.200 1.00 . A A . 27 VAL HG12 1 1 13 5688 1 1 27 VAL HG13 H -7.642 2.045 3.548 1.00 . A A . 27 VAL HG13 1 1 13 5689 1 1 27 VAL HG21 H -5.618 -0.776 1.946 1.00 . A A . 27 VAL HG21 1 1 13 5690 1 1 27 VAL HG22 H -4.134 0.155 1.969 1.00 . A A . 27 VAL HG22 1 1 13 5691 1 1 27 VAL HG23 H -4.888 -0.315 3.474 1.00 . A A . 27 VAL HG23 1 1 13 5692 1 1 27 VAL N N -4.982 1.721 0.221 1.00 . A A . 27 VAL N 1 1 13 5693 1 1 27 VAL O O -8.092 3.200 1.180 1.00 . A A . 27 VAL O 1 1 13 5694 1 1 27 VAL OXT O -6.166 4.064 0.647 1.00 . A A . 27 VAL OXT 1 1 14 5695 1 1 1 CYS C C -1.723 10.463 -4.303 1.00 . A A . 1 CYS C 1 1 14 5696 1 1 1 CYS CA C -1.117 11.567 -3.415 1.00 . A A . 1 CYS CA 1 1 14 5697 1 1 1 CYS CB C -2.190 12.290 -2.542 1.00 . A A . 1 CYS CB 1 1 14 5698 1 1 1 CYS H1 H -1.283 12.930 -4.983 1.00 . A A . 1 CYS H1 1 1 14 5699 1 1 1 CYS H2 H -0.103 13.337 -3.829 1.00 . A A . 1 CYS H2 1 1 14 5700 1 1 1 CYS H3 H 0.194 12.090 -4.941 1.00 . A A . 1 CYS H3 1 1 14 5701 1 1 1 CYS HA H -0.327 11.153 -2.805 1.00 . A A . 1 CYS HA 1 1 14 5702 1 1 1 CYS HB2 H -2.032 11.990 -1.520 1.00 . A A . 1 CYS HB2 1 1 14 5703 1 1 1 CYS HB3 H -1.979 13.349 -2.585 1.00 . A A . 1 CYS HB3 1 1 14 5704 1 1 1 CYS N N -0.533 12.557 -4.364 1.00 . A A . 1 CYS N 1 1 14 5705 1 1 1 CYS O O -2.625 10.719 -5.078 1.00 . A A . 1 CYS O 1 1 14 5706 1 1 1 CYS SG S -3.958 12.112 -2.895 1.00 . A A . 1 CYS SG 1 1 14 5707 1 1 2 ARG C C -3.107 7.662 -4.571 1.00 . A A . 2 ARG C 1 1 14 5708 1 1 2 ARG CA C -1.705 8.110 -4.983 1.00 . A A . 2 ARG CA 1 1 14 5709 1 1 2 ARG CB C -0.705 6.930 -4.836 1.00 . A A . 2 ARG CB 1 1 14 5710 1 1 2 ARG CD C -0.756 5.936 -7.169 1.00 . A A . 2 ARG CD 1 1 14 5711 1 1 2 ARG CG C 0.086 6.735 -6.150 1.00 . A A . 2 ARG CG 1 1 14 5712 1 1 2 ARG CZ C -0.828 7.387 -9.106 1.00 . A A . 2 ARG CZ 1 1 14 5713 1 1 2 ARG H H -0.484 9.121 -3.518 1.00 . A A . 2 ARG H 1 1 14 5714 1 1 2 ARG HA H -1.752 8.430 -6.015 1.00 . A A . 2 ARG HA 1 1 14 5715 1 1 2 ARG HB2 H -0.002 7.147 -4.048 1.00 . A A . 2 ARG HB2 1 1 14 5716 1 1 2 ARG HB3 H -1.221 6.016 -4.576 1.00 . A A . 2 ARG HB3 1 1 14 5717 1 1 2 ARG HD2 H -0.109 5.305 -7.761 1.00 . A A . 2 ARG HD2 1 1 14 5718 1 1 2 ARG HD3 H -1.493 5.320 -6.677 1.00 . A A . 2 ARG HD3 1 1 14 5719 1 1 2 ARG HE H -2.389 7.145 -7.896 1.00 . A A . 2 ARG HE 1 1 14 5720 1 1 2 ARG HG2 H 0.364 7.694 -6.561 1.00 . A A . 2 ARG HG2 1 1 14 5721 1 1 2 ARG HG3 H 0.992 6.187 -5.944 1.00 . A A . 2 ARG HG3 1 1 14 5722 1 1 2 ARG HH11 H -1.213 5.797 -10.261 1.00 . A A . 2 ARG HH11 1 1 14 5723 1 1 2 ARG HH12 H -0.294 7.061 -11.006 1.00 . A A . 2 ARG HH12 1 1 14 5724 1 1 2 ARG HH21 H -0.327 9.065 -8.138 1.00 . A A . 2 ARG HH21 1 1 14 5725 1 1 2 ARG HH22 H 0.220 8.953 -9.778 1.00 . A A . 2 ARG HH22 1 1 14 5726 1 1 2 ARG N N -1.205 9.265 -4.166 1.00 . A A . 2 ARG N 1 1 14 5727 1 1 2 ARG NE N -1.459 6.892 -8.075 1.00 . A A . 2 ARG NE 1 1 14 5728 1 1 2 ARG NH1 N -0.775 6.693 -10.210 1.00 . A A . 2 ARG NH1 1 1 14 5729 1 1 2 ARG NH2 N -0.268 8.559 -8.998 1.00 . A A . 2 ARG NH2 1 1 14 5730 1 1 2 ARG O O -3.516 7.843 -3.443 1.00 . A A . 2 ARG O 1 1 14 5731 1 1 3 ILE C C -5.198 5.297 -4.411 1.00 . A A . 3 ILE C 1 1 14 5732 1 1 3 ILE CA C -5.194 6.597 -5.250 1.00 . A A . 3 ILE CA 1 1 14 5733 1 1 3 ILE CB C -5.878 6.357 -6.611 1.00 . A A . 3 ILE CB 1 1 14 5734 1 1 3 ILE CD1 C -5.700 4.419 -8.244 1.00 . A A . 3 ILE CD1 1 1 14 5735 1 1 3 ILE CG1 C -4.930 5.555 -7.565 1.00 . A A . 3 ILE CG1 1 1 14 5736 1 1 3 ILE CG2 C -6.227 7.720 -7.249 1.00 . A A . 3 ILE CG2 1 1 14 5737 1 1 3 ILE H H -3.434 6.955 -6.407 1.00 . A A . 3 ILE H 1 1 14 5738 1 1 3 ILE HA H -5.717 7.373 -4.712 1.00 . A A . 3 ILE HA 1 1 14 5739 1 1 3 ILE HB H -6.788 5.805 -6.444 1.00 . A A . 3 ILE HB 1 1 14 5740 1 1 3 ILE HD11 H -6.695 4.742 -8.513 1.00 . A A . 3 ILE HD11 1 1 14 5741 1 1 3 ILE HD12 H -5.180 4.113 -9.138 1.00 . A A . 3 ILE HD12 1 1 14 5742 1 1 3 ILE HD13 H -5.770 3.575 -7.575 1.00 . A A . 3 ILE HD13 1 1 14 5743 1 1 3 ILE HG12 H -4.512 6.202 -8.322 1.00 . A A . 3 ILE HG12 1 1 14 5744 1 1 3 ILE HG13 H -4.110 5.128 -7.010 1.00 . A A . 3 ILE HG13 1 1 14 5745 1 1 3 ILE HG21 H -5.334 8.308 -7.399 1.00 . A A . 3 ILE HG21 1 1 14 5746 1 1 3 ILE HG22 H -6.710 7.572 -8.204 1.00 . A A . 3 ILE HG22 1 1 14 5747 1 1 3 ILE HG23 H -6.898 8.270 -6.606 1.00 . A A . 3 ILE HG23 1 1 14 5748 1 1 3 ILE N N -3.808 7.083 -5.509 1.00 . A A . 3 ILE N 1 1 14 5749 1 1 3 ILE O O -4.237 4.553 -4.452 1.00 . A A . 3 ILE O 1 1 14 5750 1 1 4 HYP C C -6.439 2.561 -4.063 1.00 . A A . 4 HYP C 1 1 14 5751 1 1 4 HYP CA C -6.540 3.723 -3.062 1.00 . A A . 4 HYP CA 1 1 14 5752 1 1 4 HYP CB C -7.942 3.825 -2.453 1.00 . A A . 4 HYP CB 1 1 14 5753 1 1 4 HYP CD C -7.315 6.065 -3.359 1.00 . A A . 4 HYP CD 1 1 14 5754 1 1 4 HYP CG C -8.260 5.341 -2.378 1.00 . A A . 4 HYP CG 1 1 14 5755 1 1 4 HYP HA H -5.828 3.562 -2.268 1.00 . A A . 4 HYP HA 1 1 14 5756 1 1 4 HYP HB2 H -7.968 3.362 -1.479 1.00 . A A . 4 HYP HB2 1 1 14 5757 1 1 4 HYP HB3 H -8.670 3.338 -3.086 1.00 . A A . 4 HYP HB3 1 1 14 5758 1 1 4 HYP HD1 H -7.978 5.017 -0.475 1.00 . A A . 4 HYP HD1 1 1 14 5759 1 1 4 HYP HD22 H -6.859 6.939 -2.914 1.00 . A A . 4 HYP HD22 1 1 14 5760 1 1 4 HYP HD23 H -7.838 6.338 -4.264 1.00 . A A . 4 HYP HD23 1 1 14 5761 1 1 4 HYP HG H -9.305 5.576 -2.519 1.00 . A A . 4 HYP HG 1 1 14 5762 1 1 4 HYP N N -6.266 5.055 -3.676 1.00 . A A . 4 HYP N 1 1 14 5763 1 1 4 HYP O O -6.566 2.757 -5.255 1.00 . A A . 4 HYP O 1 1 14 5764 1 1 4 HYP OD1 O -7.826 5.743 -1.085 1.00 . A A . 4 HYP OD1 1 1 14 5765 1 1 5 ASN C C -4.878 0.024 -5.238 1.00 . A A . 5 ASN C 1 1 14 5766 1 1 5 ASN CA C -6.073 0.103 -4.272 1.00 . A A . 5 ASN CA 1 1 14 5767 1 1 5 ASN CB C -7.425 -0.168 -5.050 1.00 . A A . 5 ASN CB 1 1 14 5768 1 1 5 ASN CG C -7.435 0.185 -6.560 1.00 . A A . 5 ASN CG 1 1 14 5769 1 1 5 ASN H H -6.126 1.364 -2.538 1.00 . A A . 5 ASN H 1 1 14 5770 1 1 5 ASN HA H -5.950 -0.681 -3.541 1.00 . A A . 5 ASN HA 1 1 14 5771 1 1 5 ASN HB2 H -7.656 -1.220 -4.960 1.00 . A A . 5 ASN HB2 1 1 14 5772 1 1 5 ASN HB3 H -8.225 0.382 -4.577 1.00 . A A . 5 ASN HB3 1 1 14 5773 1 1 5 ASN HD21 H -9.014 -0.963 -6.911 1.00 . A A . 5 ASN HD21 1 1 14 5774 1 1 5 ASN HD22 H -8.390 -0.153 -8.265 1.00 . A A . 5 ASN HD22 1 1 14 5775 1 1 5 ASN N N -6.211 1.393 -3.513 1.00 . A A . 5 ASN N 1 1 14 5776 1 1 5 ASN ND2 N -8.357 -0.355 -7.307 1.00 . A A . 5 ASN ND2 1 1 14 5777 1 1 5 ASN O O -4.589 -1.045 -5.741 1.00 . A A . 5 ASN O 1 1 14 5778 1 1 5 ASN OD1 O -6.632 0.934 -7.083 1.00 . A A . 5 ASN OD1 1 1 14 5779 1 1 6 GLN C C -1.893 0.306 -5.822 1.00 . A A . 6 GLN C 1 1 14 5780 1 1 6 GLN CA C -3.049 1.120 -6.413 1.00 . A A . 6 GLN CA 1 1 14 5781 1 1 6 GLN CB C -2.593 2.565 -6.661 1.00 . A A . 6 GLN CB 1 1 14 5782 1 1 6 GLN CD C -2.593 3.059 -9.130 1.00 . A A . 6 GLN CD 1 1 14 5783 1 1 6 GLN CG C -1.728 2.616 -7.944 1.00 . A A . 6 GLN CG 1 1 14 5784 1 1 6 GLN H H -4.486 1.974 -5.061 1.00 . A A . 6 GLN H 1 1 14 5785 1 1 6 GLN HA H -3.362 0.667 -7.344 1.00 . A A . 6 GLN HA 1 1 14 5786 1 1 6 GLN HB2 H -3.466 3.189 -6.769 1.00 . A A . 6 GLN HB2 1 1 14 5787 1 1 6 GLN HB3 H -2.022 2.927 -5.817 1.00 . A A . 6 GLN HB3 1 1 14 5788 1 1 6 GLN HE21 H -2.055 4.965 -8.990 1.00 . A A . 6 GLN HE21 1 1 14 5789 1 1 6 GLN HE22 H -3.150 4.609 -10.235 1.00 . A A . 6 GLN HE22 1 1 14 5790 1 1 6 GLN HG2 H -0.916 3.316 -7.820 1.00 . A A . 6 GLN HG2 1 1 14 5791 1 1 6 GLN HG3 H -1.306 1.647 -8.170 1.00 . A A . 6 GLN HG3 1 1 14 5792 1 1 6 GLN N N -4.219 1.131 -5.482 1.00 . A A . 6 GLN N 1 1 14 5793 1 1 6 GLN NE2 N -2.599 4.316 -9.480 1.00 . A A . 6 GLN NE2 1 1 14 5794 1 1 6 GLN O O -1.483 0.539 -4.701 1.00 . A A . 6 GLN O 1 1 14 5795 1 1 6 GLN OE1 O -3.271 2.263 -9.748 1.00 . A A . 6 GLN OE1 1 1 14 5796 1 1 7 LYS C C 0.907 -0.676 -5.653 1.00 . A A . 7 LYS C 1 1 14 5797 1 1 7 LYS CA C -0.282 -1.501 -6.179 1.00 . A A . 7 LYS CA 1 1 14 5798 1 1 7 LYS CB C 0.140 -2.364 -7.393 1.00 . A A . 7 LYS CB 1 1 14 5799 1 1 7 LYS CD C 2.299 -3.414 -6.564 1.00 . A A . 7 LYS CD 1 1 14 5800 1 1 7 LYS CE C 3.019 -4.757 -6.379 1.00 . A A . 7 LYS CE 1 1 14 5801 1 1 7 LYS CG C 0.816 -3.673 -6.920 1.00 . A A . 7 LYS CG 1 1 14 5802 1 1 7 LYS H H -1.800 -0.740 -7.500 1.00 . A A . 7 LYS H 1 1 14 5803 1 1 7 LYS HA H -0.641 -2.144 -5.394 1.00 . A A . 7 LYS HA 1 1 14 5804 1 1 7 LYS HB2 H -0.742 -2.623 -7.960 1.00 . A A . 7 LYS HB2 1 1 14 5805 1 1 7 LYS HB3 H 0.801 -1.811 -8.044 1.00 . A A . 7 LYS HB3 1 1 14 5806 1 1 7 LYS HD2 H 2.779 -2.856 -7.355 1.00 . A A . 7 LYS HD2 1 1 14 5807 1 1 7 LYS HD3 H 2.370 -2.849 -5.647 1.00 . A A . 7 LYS HD3 1 1 14 5808 1 1 7 LYS HE2 H 2.910 -5.372 -7.261 1.00 . A A . 7 LYS HE2 1 1 14 5809 1 1 7 LYS HE3 H 4.070 -4.590 -6.194 1.00 . A A . 7 LYS HE3 1 1 14 5810 1 1 7 LYS HG2 H 0.295 -4.074 -6.062 1.00 . A A . 7 LYS HG2 1 1 14 5811 1 1 7 LYS HG3 H 0.758 -4.398 -7.719 1.00 . A A . 7 LYS HG3 1 1 14 5812 1 1 7 LYS HZ1 H 1.840 -4.840 -4.666 1.00 . A A . 7 LYS HZ1 1 1 14 5813 1 1 7 LYS HZ2 H 1.877 -6.288 -5.551 1.00 . A A . 7 LYS HZ2 1 1 14 5814 1 1 7 LYS HZ3 H 3.215 -5.834 -4.608 1.00 . A A . 7 LYS HZ3 1 1 14 5815 1 1 7 LYS N N -1.411 -0.621 -6.609 1.00 . A A . 7 LYS N 1 1 14 5816 1 1 7 LYS NZ N 2.445 -5.485 -5.213 1.00 . A A . 7 LYS NZ 1 1 14 5817 1 1 7 LYS O O 1.632 -0.063 -6.415 1.00 . A A . 7 LYS O 1 1 14 5818 1 1 8 CYS C C 2.867 -0.832 -2.651 1.00 . A A . 8 CYS C 1 1 14 5819 1 1 8 CYS CA C 2.159 0.055 -3.676 1.00 . A A . 8 CYS CA 1 1 14 5820 1 1 8 CYS CB C 1.570 1.284 -2.982 1.00 . A A . 8 CYS CB 1 1 14 5821 1 1 8 CYS H H 0.424 -1.206 -3.805 1.00 . A A . 8 CYS H 1 1 14 5822 1 1 8 CYS HA H 2.886 0.367 -4.412 1.00 . A A . 8 CYS HA 1 1 14 5823 1 1 8 CYS HB2 H 2.353 1.761 -2.409 1.00 . A A . 8 CYS HB2 1 1 14 5824 1 1 8 CYS HB3 H 1.266 1.980 -3.749 1.00 . A A . 8 CYS HB3 1 1 14 5825 1 1 8 CYS N N 1.054 -0.693 -4.351 1.00 . A A . 8 CYS N 1 1 14 5826 1 1 8 CYS O O 2.327 -1.820 -2.191 1.00 . A A . 8 CYS O 1 1 14 5827 1 1 8 CYS SG S 0.156 1.063 -1.873 1.00 . A A . 8 CYS SG 1 1 14 5828 1 1 9 PHE C C 4.610 -0.657 0.067 1.00 . A A . 9 PHE C 1 1 14 5829 1 1 9 PHE CA C 4.892 -1.188 -1.340 1.00 . A A . 9 PHE CA 1 1 14 5830 1 1 9 PHE CB C 6.382 -1.008 -1.698 1.00 . A A . 9 PHE CB 1 1 14 5831 1 1 9 PHE CD1 C 7.203 -3.223 -2.609 1.00 . A A . 9 PHE CD1 1 1 14 5832 1 1 9 PHE CD2 C 7.708 -2.688 -0.342 1.00 . A A . 9 PHE CD2 1 1 14 5833 1 1 9 PHE CE1 C 7.867 -4.425 -2.474 1.00 . A A . 9 PHE CE1 1 1 14 5834 1 1 9 PHE CE2 C 8.371 -3.890 -0.205 1.00 . A A . 9 PHE CE2 1 1 14 5835 1 1 9 PHE CG C 7.119 -2.345 -1.545 1.00 . A A . 9 PHE CG 1 1 14 5836 1 1 9 PHE CZ C 8.451 -4.760 -1.272 1.00 . A A . 9 PHE CZ 1 1 14 5837 1 1 9 PHE H H 4.435 0.379 -2.740 1.00 . A A . 9 PHE H 1 1 14 5838 1 1 9 PHE HA H 4.615 -2.233 -1.381 1.00 . A A . 9 PHE HA 1 1 14 5839 1 1 9 PHE HB2 H 6.485 -0.669 -2.720 1.00 . A A . 9 PHE HB2 1 1 14 5840 1 1 9 PHE HB3 H 6.848 -0.281 -1.050 1.00 . A A . 9 PHE HB3 1 1 14 5841 1 1 9 PHE HD1 H 6.749 -2.968 -3.556 1.00 . A A . 9 PHE HD1 1 1 14 5842 1 1 9 PHE HD2 H 7.649 -2.012 0.496 1.00 . A A . 9 PHE HD2 1 1 14 5843 1 1 9 PHE HE1 H 7.928 -5.104 -3.312 1.00 . A A . 9 PHE HE1 1 1 14 5844 1 1 9 PHE HE2 H 8.829 -4.150 0.739 1.00 . A A . 9 PHE HE2 1 1 14 5845 1 1 9 PHE HZ H 8.970 -5.700 -1.167 1.00 . A A . 9 PHE HZ 1 1 14 5846 1 1 9 PHE N N 4.069 -0.431 -2.327 1.00 . A A . 9 PHE N 1 1 14 5847 1 1 9 PHE O O 4.471 0.536 0.265 1.00 . A A . 9 PHE O 1 1 14 5848 1 1 10 GLN C C 5.254 -0.169 2.934 1.00 . A A . 10 GLN C 1 1 14 5849 1 1 10 GLN CA C 4.271 -1.233 2.425 1.00 . A A . 10 GLN CA 1 1 14 5850 1 1 10 GLN CB C 4.393 -2.518 3.263 1.00 . A A . 10 GLN CB 1 1 14 5851 1 1 10 GLN CD C 3.530 -4.883 3.364 1.00 . A A . 10 GLN CD 1 1 14 5852 1 1 10 GLN CG C 3.192 -3.444 2.954 1.00 . A A . 10 GLN CG 1 1 14 5853 1 1 10 GLN H H 4.654 -2.516 0.759 1.00 . A A . 10 GLN H 1 1 14 5854 1 1 10 GLN HA H 3.268 -0.847 2.481 1.00 . A A . 10 GLN HA 1 1 14 5855 1 1 10 GLN HB2 H 5.322 -3.018 3.024 1.00 . A A . 10 GLN HB2 1 1 14 5856 1 1 10 GLN HB3 H 4.396 -2.272 4.315 1.00 . A A . 10 GLN HB3 1 1 14 5857 1 1 10 GLN HE21 H 3.775 -5.497 1.492 1.00 . A A . 10 GLN HE21 1 1 14 5858 1 1 10 GLN HE22 H 4.009 -6.685 2.683 1.00 . A A . 10 GLN HE22 1 1 14 5859 1 1 10 GLN HG2 H 2.325 -3.123 3.512 1.00 . A A . 10 GLN HG2 1 1 14 5860 1 1 10 GLN HG3 H 2.955 -3.432 1.900 1.00 . A A . 10 GLN HG3 1 1 14 5861 1 1 10 GLN N N 4.536 -1.576 0.997 1.00 . A A . 10 GLN N 1 1 14 5862 1 1 10 GLN NE2 N 3.793 -5.761 2.435 1.00 . A A . 10 GLN NE2 1 1 14 5863 1 1 10 GLN O O 4.917 0.633 3.782 1.00 . A A . 10 GLN O 1 1 14 5864 1 1 10 GLN OE1 O 3.559 -5.220 4.532 1.00 . A A . 10 GLN OE1 1 1 14 5865 1 1 11 HIS C C 7.303 2.047 1.962 1.00 . A A . 11 HIS C 1 1 14 5866 1 1 11 HIS CA C 7.513 0.758 2.764 1.00 . A A . 11 HIS CA 1 1 14 5867 1 1 11 HIS CB C 8.884 0.144 2.436 1.00 . A A . 11 HIS CB 1 1 14 5868 1 1 11 HIS CD2 C 8.532 -2.330 3.330 1.00 . A A . 11 HIS CD2 1 1 14 5869 1 1 11 HIS CE1 C 9.940 -2.297 4.852 1.00 . A A . 11 HIS CE1 1 1 14 5870 1 1 11 HIS CG C 9.123 -1.077 3.329 1.00 . A A . 11 HIS CG 1 1 14 5871 1 1 11 HIS H H 6.630 -0.890 1.705 1.00 . A A . 11 HIS H 1 1 14 5872 1 1 11 HIS HA H 7.439 0.981 3.819 1.00 . A A . 11 HIS HA 1 1 14 5873 1 1 11 HIS HB2 H 8.923 -0.167 1.401 1.00 . A A . 11 HIS HB2 1 1 14 5874 1 1 11 HIS HB3 H 9.671 0.863 2.615 1.00 . A A . 11 HIS HB3 1 1 14 5875 1 1 11 HIS HD1 H 10.572 -0.396 4.563 1.00 . A A . 11 HIS HD1 1 1 14 5876 1 1 11 HIS HD2 H 7.758 -2.652 2.650 1.00 . A A . 11 HIS HD2 1 1 14 5877 1 1 11 HIS HE1 H 10.561 -2.592 5.685 1.00 . A A . 11 HIS HE1 1 1 14 5878 1 1 11 HIS N N 6.442 -0.209 2.383 1.00 . A A . 11 HIS N 1 1 14 5879 1 1 11 HIS ND1 N 9.980 -1.129 4.294 1.00 . A A . 11 HIS ND1 1 1 14 5880 1 1 11 HIS NE2 N 9.053 -3.077 4.284 1.00 . A A . 11 HIS NE2 1 1 14 5881 1 1 11 HIS O O 7.307 3.132 2.510 1.00 . A A . 11 HIS O 1 1 14 5882 1 1 12 LEU C C 5.396 3.292 -0.377 1.00 . A A . 12 LEU C 1 1 14 5883 1 1 12 LEU CA C 6.901 3.018 -0.250 1.00 . A A . 12 LEU CA 1 1 14 5884 1 1 12 LEU CB C 7.513 2.668 -1.632 1.00 . A A . 12 LEU CB 1 1 14 5885 1 1 12 LEU CD1 C 9.600 1.814 -2.763 1.00 . A A . 12 LEU CD1 1 1 14 5886 1 1 12 LEU CD2 C 9.676 3.982 -1.490 1.00 . A A . 12 LEU CD2 1 1 14 5887 1 1 12 LEU CG C 9.059 2.564 -1.529 1.00 . A A . 12 LEU CG 1 1 14 5888 1 1 12 LEU H H 7.135 0.954 0.322 1.00 . A A . 12 LEU H 1 1 14 5889 1 1 12 LEU HA H 7.377 3.901 0.154 1.00 . A A . 12 LEU HA 1 1 14 5890 1 1 12 LEU HB2 H 7.102 1.731 -1.979 1.00 . A A . 12 LEU HB2 1 1 14 5891 1 1 12 LEU HB3 H 7.251 3.435 -2.347 1.00 . A A . 12 LEU HB3 1 1 14 5892 1 1 12 LEU HD11 H 9.310 2.323 -3.671 1.00 . A A . 12 LEU HD11 1 1 14 5893 1 1 12 LEU HD12 H 10.678 1.761 -2.725 1.00 . A A . 12 LEU HD12 1 1 14 5894 1 1 12 LEU HD13 H 9.207 0.808 -2.787 1.00 . A A . 12 LEU HD13 1 1 14 5895 1 1 12 LEU HD21 H 9.312 4.577 -2.315 1.00 . A A . 12 LEU HD21 1 1 14 5896 1 1 12 LEU HD22 H 9.417 4.476 -0.565 1.00 . A A . 12 LEU HD22 1 1 14 5897 1 1 12 LEU HD23 H 10.753 3.922 -1.556 1.00 . A A . 12 LEU HD23 1 1 14 5898 1 1 12 LEU HG H 9.339 2.024 -0.637 1.00 . A A . 12 LEU HG 1 1 14 5899 1 1 12 LEU N N 7.123 1.867 0.677 1.00 . A A . 12 LEU N 1 1 14 5900 1 1 12 LEU O O 4.840 3.299 -1.459 1.00 . A A . 12 LEU O 1 1 14 5901 1 1 13 ASP C C 3.134 5.266 0.393 1.00 . A A . 13 ASP C 1 1 14 5902 1 1 13 ASP CA C 3.315 3.791 0.787 1.00 . A A . 13 ASP CA 1 1 14 5903 1 1 13 ASP CB C 2.764 3.504 2.219 1.00 . A A . 13 ASP CB 1 1 14 5904 1 1 13 ASP CG C 3.665 4.097 3.323 1.00 . A A . 13 ASP CG 1 1 14 5905 1 1 13 ASP H H 5.290 3.483 1.594 1.00 . A A . 13 ASP H 1 1 14 5906 1 1 13 ASP HA H 2.814 3.163 0.064 1.00 . A A . 13 ASP HA 1 1 14 5907 1 1 13 ASP HB2 H 1.770 3.916 2.311 1.00 . A A . 13 ASP HB2 1 1 14 5908 1 1 13 ASP HB3 H 2.695 2.436 2.367 1.00 . A A . 13 ASP HB3 1 1 14 5909 1 1 13 ASP N N 4.781 3.508 0.759 1.00 . A A . 13 ASP N 1 1 14 5910 1 1 13 ASP O O 3.075 6.161 1.215 1.00 . A A . 13 ASP O 1 1 14 5911 1 1 13 ASP OD1 O 4.645 3.442 3.639 1.00 . A A . 13 ASP OD1 1 1 14 5912 1 1 13 ASP OD2 O 3.322 5.172 3.790 1.00 . A A . 13 ASP OD2 1 1 14 5913 1 1 14 ASP C C 1.394 7.169 -1.643 1.00 . A A . 14 ASP C 1 1 14 5914 1 1 14 ASP CA C 2.876 6.800 -1.510 1.00 . A A . 14 ASP CA 1 1 14 5915 1 1 14 ASP CB C 3.550 6.782 -2.900 1.00 . A A . 14 ASP CB 1 1 14 5916 1 1 14 ASP CG C 3.261 5.445 -3.622 1.00 . A A . 14 ASP CG 1 1 14 5917 1 1 14 ASP H H 3.102 4.674 -1.496 1.00 . A A . 14 ASP H 1 1 14 5918 1 1 14 ASP HA H 3.361 7.538 -0.888 1.00 . A A . 14 ASP HA 1 1 14 5919 1 1 14 ASP HB2 H 3.174 7.586 -3.511 1.00 . A A . 14 ASP HB2 1 1 14 5920 1 1 14 ASP HB3 H 4.619 6.908 -2.790 1.00 . A A . 14 ASP HB3 1 1 14 5921 1 1 14 ASP N N 3.050 5.448 -0.899 1.00 . A A . 14 ASP N 1 1 14 5922 1 1 14 ASP O O 1.065 8.231 -2.137 1.00 . A A . 14 ASP O 1 1 14 5923 1 1 14 ASP OD1 O 2.092 5.194 -3.868 1.00 . A A . 14 ASP OD1 1 1 14 5924 1 1 14 ASP OD2 O 4.228 4.746 -3.883 1.00 . A A . 14 ASP OD2 1 1 14 5925 1 1 15 CYS C C -1.337 7.794 -0.559 1.00 . A A . 15 CYS C 1 1 14 5926 1 1 15 CYS CA C -0.927 6.492 -1.251 1.00 . A A . 15 CYS CA 1 1 14 5927 1 1 15 CYS CB C -1.596 5.299 -0.581 1.00 . A A . 15 CYS CB 1 1 14 5928 1 1 15 CYS H H 0.879 5.442 -0.804 1.00 . A A . 15 CYS H 1 1 14 5929 1 1 15 CYS HA H -1.231 6.536 -2.285 1.00 . A A . 15 CYS HA 1 1 14 5930 1 1 15 CYS HB2 H -1.505 5.413 0.488 1.00 . A A . 15 CYS HB2 1 1 14 5931 1 1 15 CYS HB3 H -2.645 5.300 -0.826 1.00 . A A . 15 CYS HB3 1 1 14 5932 1 1 15 CYS N N 0.547 6.276 -1.193 1.00 . A A . 15 CYS N 1 1 14 5933 1 1 15 CYS O O -0.593 8.337 0.236 1.00 . A A . 15 CYS O 1 1 14 5934 1 1 15 CYS SG S -0.925 3.671 -0.988 1.00 . A A . 15 CYS SG 1 1 14 5935 1 1 16 CYS C C -3.217 9.255 1.222 1.00 . A A . 16 CYS C 1 1 14 5936 1 1 16 CYS CA C -3.037 9.512 -0.282 1.00 . A A . 16 CYS CA 1 1 14 5937 1 1 16 CYS CB C -4.377 9.864 -0.960 1.00 . A A . 16 CYS CB 1 1 14 5938 1 1 16 CYS H H -3.061 7.760 -1.534 1.00 . A A . 16 CYS H 1 1 14 5939 1 1 16 CYS HA H -2.309 10.295 -0.421 1.00 . A A . 16 CYS HA 1 1 14 5940 1 1 16 CYS HB2 H -4.381 9.462 -1.960 1.00 . A A . 16 CYS HB2 1 1 14 5941 1 1 16 CYS HB3 H -5.186 9.393 -0.421 1.00 . A A . 16 CYS HB3 1 1 14 5942 1 1 16 CYS N N -2.517 8.250 -0.887 1.00 . A A . 16 CYS N 1 1 14 5943 1 1 16 CYS O O -3.001 10.126 2.043 1.00 . A A . 16 CYS O 1 1 14 5944 1 1 16 CYS SG S -4.759 11.625 -1.102 1.00 . A A . 16 CYS SG 1 1 14 5945 1 1 17 SER C C -2.503 7.065 3.483 1.00 . A A . 17 SER C 1 1 14 5946 1 1 17 SER CA C -3.838 7.582 2.909 1.00 . A A . 17 SER CA 1 1 14 5947 1 1 17 SER CB C -4.878 6.463 2.875 1.00 . A A . 17 SER CB 1 1 14 5948 1 1 17 SER H H -3.773 7.392 0.799 1.00 . A A . 17 SER H 1 1 14 5949 1 1 17 SER HA H -4.190 8.407 3.512 1.00 . A A . 17 SER HA 1 1 14 5950 1 1 17 SER HB2 H -5.087 6.099 3.863 1.00 . A A . 17 SER HB2 1 1 14 5951 1 1 17 SER HB3 H -5.793 6.775 2.390 1.00 . A A . 17 SER HB3 1 1 14 5952 1 1 17 SER HG H -4.694 4.602 2.336 1.00 . A A . 17 SER HG 1 1 14 5953 1 1 17 SER N N -3.612 8.040 1.514 1.00 . A A . 17 SER N 1 1 14 5954 1 1 17 SER O O -2.392 6.820 4.669 1.00 . A A . 17 SER O 1 1 14 5955 1 1 17 SER OG O -4.264 5.430 2.115 1.00 . A A . 17 SER OG 1 1 14 5956 1 1 18 ARG C C -0.270 5.050 3.635 1.00 . A A . 18 ARG C 1 1 14 5957 1 1 18 ARG CA C -0.170 6.423 2.955 1.00 . A A . 18 ARG CA 1 1 14 5958 1 1 18 ARG CB C 0.510 7.449 3.898 1.00 . A A . 18 ARG CB 1 1 14 5959 1 1 18 ARG CD C 1.204 9.850 4.153 1.00 . A A . 18 ARG CD 1 1 14 5960 1 1 18 ARG CG C 0.624 8.811 3.181 1.00 . A A . 18 ARG CG 1 1 14 5961 1 1 18 ARG CZ C 0.571 10.101 6.481 1.00 . A A . 18 ARG CZ 1 1 14 5962 1 1 18 ARG H H -1.724 7.141 1.664 1.00 . A A . 18 ARG H 1 1 14 5963 1 1 18 ARG HA H 0.406 6.314 2.047 1.00 . A A . 18 ARG HA 1 1 14 5964 1 1 18 ARG HB2 H -0.062 7.553 4.808 1.00 . A A . 18 ARG HB2 1 1 14 5965 1 1 18 ARG HB3 H 1.499 7.104 4.158 1.00 . A A . 18 ARG HB3 1 1 14 5966 1 1 18 ARG HD2 H 2.127 9.492 4.589 1.00 . A A . 18 ARG HD2 1 1 14 5967 1 1 18 ARG HD3 H 1.395 10.781 3.639 1.00 . A A . 18 ARG HD3 1 1 14 5968 1 1 18 ARG HE H -0.741 10.243 4.995 1.00 . A A . 18 ARG HE 1 1 14 5969 1 1 18 ARG HG2 H 1.272 8.722 2.322 1.00 . A A . 18 ARG HG2 1 1 14 5970 1 1 18 ARG HG3 H -0.349 9.141 2.846 1.00 . A A . 18 ARG HG3 1 1 14 5971 1 1 18 ARG HH11 H 0.493 8.107 6.641 1.00 . A A . 18 ARG HH11 1 1 14 5972 1 1 18 ARG HH12 H 0.972 8.955 8.072 1.00 . A A . 18 ARG HH12 1 1 14 5973 1 1 18 ARG HH21 H 0.714 12.095 6.537 1.00 . A A . 18 ARG HH21 1 1 14 5974 1 1 18 ARG HH22 H 1.101 11.274 8.013 1.00 . A A . 18 ARG HH22 1 1 14 5975 1 1 18 ARG N N -1.540 6.917 2.599 1.00 . A A . 18 ARG N 1 1 14 5976 1 1 18 ARG NE N 0.199 10.092 5.229 1.00 . A A . 18 ARG NE 1 1 14 5977 1 1 18 ARG NH1 N 0.688 8.966 7.113 1.00 . A A . 18 ARG NH1 1 1 14 5978 1 1 18 ARG NH2 N 0.814 11.245 7.055 1.00 . A A . 18 ARG NH2 1 1 14 5979 1 1 18 ARG O O 0.533 4.696 4.479 1.00 . A A . 18 ARG O 1 1 14 5980 1 1 19 LYS C C -1.677 1.966 2.612 1.00 . A A . 19 LYS C 1 1 14 5981 1 1 19 LYS CA C -1.541 2.961 3.770 1.00 . A A . 19 LYS CA 1 1 14 5982 1 1 19 LYS CB C -2.836 3.015 4.574 1.00 . A A . 19 LYS CB 1 1 14 5983 1 1 19 LYS CD C -3.862 3.319 6.856 1.00 . A A . 19 LYS CD 1 1 14 5984 1 1 19 LYS CE C -4.141 4.600 7.663 1.00 . A A . 19 LYS CE 1 1 14 5985 1 1 19 LYS CG C -2.565 3.478 6.019 1.00 . A A . 19 LYS CG 1 1 14 5986 1 1 19 LYS H H -1.895 4.658 2.547 1.00 . A A . 19 LYS H 1 1 14 5987 1 1 19 LYS HA H -0.716 2.651 4.397 1.00 . A A . 19 LYS HA 1 1 14 5988 1 1 19 LYS HB2 H -3.527 3.699 4.103 1.00 . A A . 19 LYS HB2 1 1 14 5989 1 1 19 LYS HB3 H -3.277 2.035 4.563 1.00 . A A . 19 LYS HB3 1 1 14 5990 1 1 19 LYS HD2 H -4.712 3.115 6.219 1.00 . A A . 19 LYS HD2 1 1 14 5991 1 1 19 LYS HD3 H -3.748 2.488 7.538 1.00 . A A . 19 LYS HD3 1 1 14 5992 1 1 19 LYS HE2 H -4.920 4.415 8.388 1.00 . A A . 19 LYS HE2 1 1 14 5993 1 1 19 LYS HE3 H -3.251 4.925 8.182 1.00 . A A . 19 LYS HE3 1 1 14 5994 1 1 19 LYS HG2 H -1.782 2.878 6.459 1.00 . A A . 19 LYS HG2 1 1 14 5995 1 1 19 LYS HG3 H -2.235 4.508 6.008 1.00 . A A . 19 LYS HG3 1 1 14 5996 1 1 19 LYS HZ1 H -3.887 5.840 6.004 1.00 . A A . 19 LYS HZ1 1 1 14 5997 1 1 19 LYS HZ2 H -5.503 5.430 6.323 1.00 . A A . 19 LYS HZ2 1 1 14 5998 1 1 19 LYS HZ3 H -4.709 6.570 7.299 1.00 . A A . 19 LYS HZ3 1 1 14 5999 1 1 19 LYS N N -1.279 4.318 3.227 1.00 . A A . 19 LYS N 1 1 14 6000 1 1 19 LYS NZ N -4.592 5.692 6.753 1.00 . A A . 19 LYS NZ 1 1 14 6001 1 1 19 LYS O O -2.503 2.156 1.740 1.00 . A A . 19 LYS O 1 1 14 6002 1 1 20 CYS C C -1.174 -1.425 2.328 1.00 . A A . 20 CYS C 1 1 14 6003 1 1 20 CYS CA C -0.869 -0.106 1.598 1.00 . A A . 20 CYS CA 1 1 14 6004 1 1 20 CYS CB C 0.507 -0.093 0.945 1.00 . A A . 20 CYS CB 1 1 14 6005 1 1 20 CYS H H -0.202 0.846 3.360 1.00 . A A . 20 CYS H 1 1 14 6006 1 1 20 CYS HA H -1.649 0.111 0.883 1.00 . A A . 20 CYS HA 1 1 14 6007 1 1 20 CYS HB2 H 1.259 -0.182 1.714 1.00 . A A . 20 CYS HB2 1 1 14 6008 1 1 20 CYS HB3 H 0.583 -0.952 0.315 1.00 . A A . 20 CYS HB3 1 1 14 6009 1 1 20 CYS N N -0.857 0.946 2.643 1.00 . A A . 20 CYS N 1 1 14 6010 1 1 20 CYS O O -0.371 -1.905 3.106 1.00 . A A . 20 CYS O 1 1 14 6011 1 1 20 CYS SG S 0.877 1.396 -0.014 1.00 . A A . 20 CYS SG 1 1 14 6012 1 1 21 ASN C C -1.904 -4.476 2.416 1.00 . A A . 21 ASN C 1 1 14 6013 1 1 21 ASN CA C -2.791 -3.245 2.680 1.00 . A A . 21 ASN CA 1 1 14 6014 1 1 21 ASN CB C -4.233 -3.520 2.192 1.00 . A A . 21 ASN CB 1 1 14 6015 1 1 21 ASN CG C -4.282 -3.767 0.677 1.00 . A A . 21 ASN CG 1 1 14 6016 1 1 21 ASN H H -2.923 -1.513 1.406 1.00 . A A . 21 ASN H 1 1 14 6017 1 1 21 ASN HA H -2.826 -3.090 3.749 1.00 . A A . 21 ASN HA 1 1 14 6018 1 1 21 ASN HB2 H -4.642 -4.384 2.693 1.00 . A A . 21 ASN HB2 1 1 14 6019 1 1 21 ASN HB3 H -4.858 -2.670 2.421 1.00 . A A . 21 ASN HB3 1 1 14 6020 1 1 21 ASN HD21 H -6.257 -3.591 0.620 1.00 . A A . 21 ASN HD21 1 1 14 6021 1 1 21 ASN HD22 H -5.503 -3.917 -0.865 1.00 . A A . 21 ASN HD22 1 1 14 6022 1 1 21 ASN N N -2.335 -1.963 2.048 1.00 . A A . 21 ASN N 1 1 14 6023 1 1 21 ASN ND2 N -5.445 -3.757 0.096 1.00 . A A . 21 ASN ND2 1 1 14 6024 1 1 21 ASN O O -0.845 -4.387 1.824 1.00 . A A . 21 ASN O 1 1 14 6025 1 1 21 ASN OD1 O -3.288 -3.971 0.009 1.00 . A A . 21 ASN OD1 1 1 14 6026 1 1 22 ARG C C -1.575 -7.350 1.281 1.00 . A A . 22 ARG C 1 1 14 6027 1 1 22 ARG CA C -1.721 -6.904 2.743 1.00 . A A . 22 ARG CA 1 1 14 6028 1 1 22 ARG CB C -2.528 -7.941 3.553 1.00 . A A . 22 ARG CB 1 1 14 6029 1 1 22 ARG CD C -4.806 -8.920 3.988 1.00 . A A . 22 ARG CD 1 1 14 6030 1 1 22 ARG CG C -3.946 -8.149 2.964 1.00 . A A . 22 ARG CG 1 1 14 6031 1 1 22 ARG CZ C -5.818 -10.928 3.076 1.00 . A A . 22 ARG CZ 1 1 14 6032 1 1 22 ARG H H -3.263 -5.587 3.339 1.00 . A A . 22 ARG H 1 1 14 6033 1 1 22 ARG HA H -0.748 -6.794 3.183 1.00 . A A . 22 ARG HA 1 1 14 6034 1 1 22 ARG HB2 H -1.999 -8.879 3.552 1.00 . A A . 22 ARG HB2 1 1 14 6035 1 1 22 ARG HB3 H -2.607 -7.600 4.576 1.00 . A A . 22 ARG HB3 1 1 14 6036 1 1 22 ARG HD2 H -4.212 -9.638 4.536 1.00 . A A . 22 ARG HD2 1 1 14 6037 1 1 22 ARG HD3 H -5.260 -8.232 4.687 1.00 . A A . 22 ARG HD3 1 1 14 6038 1 1 22 ARG HE H -6.658 -9.136 2.904 1.00 . A A . 22 ARG HE 1 1 14 6039 1 1 22 ARG HG2 H -4.411 -7.197 2.754 1.00 . A A . 22 ARG HG2 1 1 14 6040 1 1 22 ARG HG3 H -3.879 -8.711 2.044 1.00 . A A . 22 ARG HG3 1 1 14 6041 1 1 22 ARG HH11 H -4.466 -10.764 1.610 1.00 . A A . 22 ARG HH11 1 1 14 6042 1 1 22 ARG HH12 H -4.942 -12.380 2.013 1.00 . A A . 22 ARG HH12 1 1 14 6043 1 1 22 ARG HH21 H -7.160 -11.313 4.509 1.00 . A A . 22 ARG HH21 1 1 14 6044 1 1 22 ARG HH22 H -6.511 -12.699 3.697 1.00 . A A . 22 ARG HH22 1 1 14 6045 1 1 22 ARG N N -2.405 -5.595 2.881 1.00 . A A . 22 ARG N 1 1 14 6046 1 1 22 ARG NE N -5.891 -9.636 3.253 1.00 . A A . 22 ARG NE 1 1 14 6047 1 1 22 ARG NH1 N -5.012 -11.395 2.161 1.00 . A A . 22 ARG NH1 1 1 14 6048 1 1 22 ARG NH2 N -6.554 -11.708 3.818 1.00 . A A . 22 ARG NH2 1 1 14 6049 1 1 22 ARG O O -0.747 -8.184 0.970 1.00 . A A . 22 ARG O 1 1 14 6050 1 1 23 PHE C C -1.357 -6.183 -1.738 1.00 . A A . 23 PHE C 1 1 14 6051 1 1 23 PHE CA C -2.359 -7.100 -1.021 1.00 . A A . 23 PHE CA 1 1 14 6052 1 1 23 PHE CB C -3.763 -6.890 -1.582 1.00 . A A . 23 PHE CB 1 1 14 6053 1 1 23 PHE CD1 C -4.799 -9.182 -1.262 1.00 . A A . 23 PHE CD1 1 1 14 6054 1 1 23 PHE CD2 C -5.670 -7.369 0.018 1.00 . A A . 23 PHE CD2 1 1 14 6055 1 1 23 PHE CE1 C -5.710 -10.035 -0.674 1.00 . A A . 23 PHE CE1 1 1 14 6056 1 1 23 PHE CE2 C -6.579 -8.220 0.606 1.00 . A A . 23 PHE CE2 1 1 14 6057 1 1 23 PHE CG C -4.770 -7.842 -0.921 1.00 . A A . 23 PHE CG 1 1 14 6058 1 1 23 PHE CZ C -6.601 -9.553 0.260 1.00 . A A . 23 PHE CZ 1 1 14 6059 1 1 23 PHE H H -3.036 -6.105 0.732 1.00 . A A . 23 PHE H 1 1 14 6060 1 1 23 PHE HA H -2.051 -8.128 -1.155 1.00 . A A . 23 PHE HA 1 1 14 6061 1 1 23 PHE HB2 H -4.083 -5.873 -1.418 1.00 . A A . 23 PHE HB2 1 1 14 6062 1 1 23 PHE HB3 H -3.756 -7.072 -2.639 1.00 . A A . 23 PHE HB3 1 1 14 6063 1 1 23 PHE HD1 H -4.104 -9.567 -1.993 1.00 . A A . 23 PHE HD1 1 1 14 6064 1 1 23 PHE HD2 H -5.660 -6.325 0.296 1.00 . A A . 23 PHE HD2 1 1 14 6065 1 1 23 PHE HE1 H -5.725 -11.080 -0.945 1.00 . A A . 23 PHE HE1 1 1 14 6066 1 1 23 PHE HE2 H -7.277 -7.841 1.338 1.00 . A A . 23 PHE HE2 1 1 14 6067 1 1 23 PHE HZ H -7.314 -10.221 0.720 1.00 . A A . 23 PHE HZ 1 1 14 6068 1 1 23 PHE N N -2.386 -6.771 0.430 1.00 . A A . 23 PHE N 1 1 14 6069 1 1 23 PHE O O -1.350 -6.110 -2.953 1.00 . A A . 23 PHE O 1 1 14 6070 1 1 24 ASN C C -0.178 -3.589 -2.477 1.00 . A A . 24 ASN C 1 1 14 6071 1 1 24 ASN CA C 0.492 -4.572 -1.504 1.00 . A A . 24 ASN CA 1 1 14 6072 1 1 24 ASN CB C 1.589 -5.400 -2.215 1.00 . A A . 24 ASN CB 1 1 14 6073 1 1 24 ASN CG C 2.267 -6.315 -1.188 1.00 . A A . 24 ASN CG 1 1 14 6074 1 1 24 ASN H H -0.603 -5.628 0.012 1.00 . A A . 24 ASN H 1 1 14 6075 1 1 24 ASN HA H 0.913 -4.009 -0.684 1.00 . A A . 24 ASN HA 1 1 14 6076 1 1 24 ASN HB2 H 1.168 -6.008 -3.001 1.00 . A A . 24 ASN HB2 1 1 14 6077 1 1 24 ASN HB3 H 2.336 -4.744 -2.639 1.00 . A A . 24 ASN HB3 1 1 14 6078 1 1 24 ASN HD21 H 3.783 -5.067 -0.898 1.00 . A A . 24 ASN HD21 1 1 14 6079 1 1 24 ASN HD22 H 3.838 -6.498 0.014 1.00 . A A . 24 ASN HD22 1 1 14 6080 1 1 24 ASN N N -0.540 -5.512 -0.958 1.00 . A A . 24 ASN N 1 1 14 6081 1 1 24 ASN ND2 N 3.390 -5.928 -0.645 1.00 . A A . 24 ASN ND2 1 1 14 6082 1 1 24 ASN O O 0.351 -3.252 -3.518 1.00 . A A . 24 ASN O 1 1 14 6083 1 1 24 ASN OD1 O 1.783 -7.383 -0.871 1.00 . A A . 24 ASN OD1 1 1 14 6084 1 1 25 LYS C C -2.591 -1.114 -1.844 1.00 . A A . 25 LYS C 1 1 14 6085 1 1 25 LYS CA C -2.207 -2.225 -2.820 1.00 . A A . 25 LYS CA 1 1 14 6086 1 1 25 LYS CB C -3.442 -2.978 -3.313 1.00 . A A . 25 LYS CB 1 1 14 6087 1 1 25 LYS CD C -4.448 -4.224 -5.250 1.00 . A A . 25 LYS CD 1 1 14 6088 1 1 25 LYS CE C -4.294 -4.467 -6.761 1.00 . A A . 25 LYS CE 1 1 14 6089 1 1 25 LYS CG C -3.161 -3.572 -4.706 1.00 . A A . 25 LYS CG 1 1 14 6090 1 1 25 LYS H H -1.697 -3.513 -1.212 1.00 . A A . 25 LYS H 1 1 14 6091 1 1 25 LYS HA H -1.648 -1.789 -3.633 1.00 . A A . 25 LYS HA 1 1 14 6092 1 1 25 LYS HB2 H -3.680 -3.778 -2.626 1.00 . A A . 25 LYS HB2 1 1 14 6093 1 1 25 LYS HB3 H -4.283 -2.308 -3.342 1.00 . A A . 25 LYS HB3 1 1 14 6094 1 1 25 LYS HD2 H -4.619 -5.165 -4.748 1.00 . A A . 25 LYS HD2 1 1 14 6095 1 1 25 LYS HD3 H -5.298 -3.580 -5.077 1.00 . A A . 25 LYS HD3 1 1 14 6096 1 1 25 LYS HE2 H -4.063 -3.544 -7.273 1.00 . A A . 25 LYS HE2 1 1 14 6097 1 1 25 LYS HE3 H -3.506 -5.182 -6.946 1.00 . A A . 25 LYS HE3 1 1 14 6098 1 1 25 LYS HG2 H -2.832 -2.791 -5.376 1.00 . A A . 25 LYS HG2 1 1 14 6099 1 1 25 LYS HG3 H -2.380 -4.315 -4.634 1.00 . A A . 25 LYS HG3 1 1 14 6100 1 1 25 LYS HZ1 H -6.365 -4.441 -6.961 1.00 . A A . 25 LYS HZ1 1 1 14 6101 1 1 25 LYS HZ2 H -5.540 -4.959 -8.352 1.00 . A A . 25 LYS HZ2 1 1 14 6102 1 1 25 LYS HZ3 H -5.683 -5.995 -7.015 1.00 . A A . 25 LYS HZ3 1 1 14 6103 1 1 25 LYS N N -1.350 -3.179 -2.064 1.00 . A A . 25 LYS N 1 1 14 6104 1 1 25 LYS NZ N -5.567 -5.006 -7.314 1.00 . A A . 25 LYS NZ 1 1 14 6105 1 1 25 LYS O O -2.597 -1.338 -0.650 1.00 . A A . 25 LYS O 1 1 14 6106 1 1 26 CYS C C -4.631 0.955 -0.765 1.00 . A A . 26 CYS C 1 1 14 6107 1 1 26 CYS CA C -3.286 1.171 -1.458 1.00 . A A . 26 CYS CA 1 1 14 6108 1 1 26 CYS CB C -3.329 2.459 -2.281 1.00 . A A . 26 CYS CB 1 1 14 6109 1 1 26 CYS H H -2.911 0.193 -3.323 1.00 . A A . 26 CYS H 1 1 14 6110 1 1 26 CYS HA H -2.527 1.269 -0.698 1.00 . A A . 26 CYS HA 1 1 14 6111 1 1 26 CYS HB2 H -3.901 2.277 -3.174 1.00 . A A . 26 CYS HB2 1 1 14 6112 1 1 26 CYS HB3 H -3.850 3.207 -1.712 1.00 . A A . 26 CYS HB3 1 1 14 6113 1 1 26 CYS N N -2.910 0.047 -2.357 1.00 . A A . 26 CYS N 1 1 14 6114 1 1 26 CYS O O -5.381 0.050 -1.076 1.00 . A A . 26 CYS O 1 1 14 6115 1 1 26 CYS SG S -1.752 3.194 -2.768 1.00 . A A . 26 CYS SG 1 1 14 6116 1 1 27 VAL C C -6.807 3.208 0.870 1.00 . A A . 27 VAL C 1 1 14 6117 1 1 27 VAL CA C -6.114 1.832 0.990 1.00 . A A . 27 VAL CA 1 1 14 6118 1 1 27 VAL CB C -5.721 1.522 2.464 1.00 . A A . 27 VAL CB 1 1 14 6119 1 1 27 VAL CG1 C -6.985 1.426 3.353 1.00 . A A . 27 VAL CG1 1 1 14 6120 1 1 27 VAL CG2 C -4.981 0.163 2.517 1.00 . A A . 27 VAL CG2 1 1 14 6121 1 1 27 VAL H H -4.178 2.517 0.335 1.00 . A A . 27 VAL H 1 1 14 6122 1 1 27 VAL HA H -6.785 1.072 0.616 1.00 . A A . 27 VAL HA 1 1 14 6123 1 1 27 VAL HB H -5.074 2.301 2.840 1.00 . A A . 27 VAL HB 1 1 14 6124 1 1 27 VAL HG11 H -7.753 0.854 2.854 1.00 . A A . 27 VAL HG11 1 1 14 6125 1 1 27 VAL HG12 H -6.751 0.943 4.290 1.00 . A A . 27 VAL HG12 1 1 14 6126 1 1 27 VAL HG13 H -7.366 2.415 3.562 1.00 . A A . 27 VAL HG13 1 1 14 6127 1 1 27 VAL HG21 H -5.600 -0.614 2.094 1.00 . A A . 27 VAL HG21 1 1 14 6128 1 1 27 VAL HG22 H -4.058 0.208 1.958 1.00 . A A . 27 VAL HG22 1 1 14 6129 1 1 27 VAL HG23 H -4.748 -0.096 3.539 1.00 . A A . 27 VAL HG23 1 1 14 6130 1 1 27 VAL N N -4.862 1.834 0.171 1.00 . A A . 27 VAL N 1 1 14 6131 1 1 27 VAL O O -8.004 3.240 1.108 1.00 . A A . 27 VAL O 1 1 14 6132 1 1 27 VAL OXT O -6.111 4.156 0.544 1.00 . A A . 27 VAL OXT 1 1 15 6133 1 1 1 CYS C C -1.661 10.326 -4.299 1.00 . A A . 1 CYS C 1 1 15 6134 1 1 1 CYS CA C -1.097 11.470 -3.435 1.00 . A A . 1 CYS CA 1 1 15 6135 1 1 1 CYS CB C -2.209 12.221 -2.643 1.00 . A A . 1 CYS CB 1 1 15 6136 1 1 1 CYS H1 H -1.209 12.743 -5.077 1.00 . A A . 1 CYS H1 1 1 15 6137 1 1 1 CYS H2 H -0.096 13.239 -3.893 1.00 . A A . 1 CYS H2 1 1 15 6138 1 1 1 CYS H3 H 0.280 11.941 -4.923 1.00 . A A . 1 CYS H3 1 1 15 6139 1 1 1 CYS HA H -0.329 11.088 -2.777 1.00 . A A . 1 CYS HA 1 1 15 6140 1 1 1 CYS HB2 H -2.093 11.977 -1.599 1.00 . A A . 1 CYS HB2 1 1 15 6141 1 1 1 CYS HB3 H -2.011 13.280 -2.730 1.00 . A A . 1 CYS HB3 1 1 15 6142 1 1 1 CYS N N -0.483 12.420 -4.405 1.00 . A A . 1 CYS N 1 1 15 6143 1 1 1 CYS O O -2.528 10.549 -5.123 1.00 . A A . 1 CYS O 1 1 15 6144 1 1 1 CYS SG S -3.955 11.995 -3.066 1.00 . A A . 1 CYS SG 1 1 15 6145 1 1 2 ARG C C -3.048 7.502 -4.508 1.00 . A A . 2 ARG C 1 1 15 6146 1 1 2 ARG CA C -1.634 7.956 -4.894 1.00 . A A . 2 ARG CA 1 1 15 6147 1 1 2 ARG CB C -0.628 6.783 -4.702 1.00 . A A . 2 ARG CB 1 1 15 6148 1 1 2 ARG CD C -1.088 5.596 -6.886 1.00 . A A . 2 ARG CD 1 1 15 6149 1 1 2 ARG CG C -0.036 6.362 -6.063 1.00 . A A . 2 ARG CG 1 1 15 6150 1 1 2 ARG CZ C -1.505 6.587 -9.064 1.00 . A A . 2 ARG CZ 1 1 15 6151 1 1 2 ARG H H -0.461 9.005 -3.413 1.00 . A A . 2 ARG H 1 1 15 6152 1 1 2 ARG HA H -1.652 8.258 -5.931 1.00 . A A . 2 ARG HA 1 1 15 6153 1 1 2 ARG HB2 H 0.182 7.097 -4.063 1.00 . A A . 2 ARG HB2 1 1 15 6154 1 1 2 ARG HB3 H -1.108 5.931 -4.245 1.00 . A A . 2 ARG HB3 1 1 15 6155 1 1 2 ARG HD2 H -0.598 4.838 -7.475 1.00 . A A . 2 ARG HD2 1 1 15 6156 1 1 2 ARG HD3 H -1.821 5.127 -6.247 1.00 . A A . 2 ARG HD3 1 1 15 6157 1 1 2 ARG HE H -2.458 7.171 -7.430 1.00 . A A . 2 ARG HE 1 1 15 6158 1 1 2 ARG HG2 H 0.307 7.231 -6.606 1.00 . A A . 2 ARG HG2 1 1 15 6159 1 1 2 ARG HG3 H 0.812 5.715 -5.898 1.00 . A A . 2 ARG HG3 1 1 15 6160 1 1 2 ARG HH11 H 0.168 7.645 -8.783 1.00 . A A . 2 ARG HH11 1 1 15 6161 1 1 2 ARG HH12 H -0.195 7.241 -10.429 1.00 . A A . 2 ARG HH12 1 1 15 6162 1 1 2 ARG HH21 H -3.128 5.531 -9.560 1.00 . A A . 2 ARG HH21 1 1 15 6163 1 1 2 ARG HH22 H -2.115 6.012 -10.881 1.00 . A A . 2 ARG HH22 1 1 15 6164 1 1 2 ARG N N -1.154 9.132 -4.094 1.00 . A A . 2 ARG N 1 1 15 6165 1 1 2 ARG NE N -1.786 6.558 -7.791 1.00 . A A . 2 ARG NE 1 1 15 6166 1 1 2 ARG NH1 N -0.426 7.206 -9.457 1.00 . A A . 2 ARG NH1 1 1 15 6167 1 1 2 ARG NH2 N -2.312 5.997 -9.901 1.00 . A A . 2 ARG NH2 1 1 15 6168 1 1 2 ARG O O -3.440 7.560 -3.362 1.00 . A A . 2 ARG O 1 1 15 6169 1 1 3 ILE C C -5.227 5.298 -4.436 1.00 . A A . 3 ILE C 1 1 15 6170 1 1 3 ILE CA C -5.169 6.575 -5.318 1.00 . A A . 3 ILE CA 1 1 15 6171 1 1 3 ILE CB C -5.754 6.317 -6.742 1.00 . A A . 3 ILE CB 1 1 15 6172 1 1 3 ILE CD1 C -5.559 4.841 -8.820 1.00 . A A . 3 ILE CD1 1 1 15 6173 1 1 3 ILE CG1 C -5.108 5.045 -7.363 1.00 . A A . 3 ILE CG1 1 1 15 6174 1 1 3 ILE CG2 C -5.456 7.544 -7.654 1.00 . A A . 3 ILE CG2 1 1 15 6175 1 1 3 ILE H H -3.395 7.029 -6.407 1.00 . A A . 3 ILE H 1 1 15 6176 1 1 3 ILE HA H -5.726 7.368 -4.843 1.00 . A A . 3 ILE HA 1 1 15 6177 1 1 3 ILE HB H -6.820 6.183 -6.667 1.00 . A A . 3 ILE HB 1 1 15 6178 1 1 3 ILE HD11 H -6.605 5.082 -8.929 1.00 . A A . 3 ILE HD11 1 1 15 6179 1 1 3 ILE HD12 H -4.984 5.475 -9.477 1.00 . A A . 3 ILE HD12 1 1 15 6180 1 1 3 ILE HD13 H -5.403 3.812 -9.106 1.00 . A A . 3 ILE HD13 1 1 15 6181 1 1 3 ILE HG12 H -4.033 5.139 -7.329 1.00 . A A . 3 ILE HG12 1 1 15 6182 1 1 3 ILE HG13 H -5.397 4.175 -6.793 1.00 . A A . 3 ILE HG13 1 1 15 6183 1 1 3 ILE HG21 H -5.566 8.464 -7.099 1.00 . A A . 3 ILE HG21 1 1 15 6184 1 1 3 ILE HG22 H -4.448 7.493 -8.039 1.00 . A A . 3 ILE HG22 1 1 15 6185 1 1 3 ILE HG23 H -6.142 7.557 -8.487 1.00 . A A . 3 ILE HG23 1 1 15 6186 1 1 3 ILE N N -3.769 7.056 -5.504 1.00 . A A . 3 ILE N 1 1 15 6187 1 1 3 ILE O O -4.249 4.578 -4.369 1.00 . A A . 3 ILE O 1 1 15 6188 1 1 4 HYP C C -6.490 2.539 -4.042 1.00 . A A . 4 HYP C 1 1 15 6189 1 1 4 HYP CA C -6.605 3.749 -3.099 1.00 . A A . 4 HYP CA 1 1 15 6190 1 1 4 HYP CB C -8.011 3.856 -2.496 1.00 . A A . 4 HYP CB 1 1 15 6191 1 1 4 HYP CD C -7.472 6.016 -3.647 1.00 . A A . 4 HYP CD 1 1 15 6192 1 1 4 HYP CG C -8.439 5.340 -2.654 1.00 . A A . 4 HYP CG 1 1 15 6193 1 1 4 HYP HA H -5.890 3.639 -2.300 1.00 . A A . 4 HYP HA 1 1 15 6194 1 1 4 HYP HB2 H -8.002 3.557 -1.459 1.00 . A A . 4 HYP HB2 1 1 15 6195 1 1 4 HYP HB3 H -8.706 3.223 -3.031 1.00 . A A . 4 HYP HB3 1 1 15 6196 1 1 4 HYP HD1 H -8.452 6.839 -1.414 1.00 . A A . 4 HYP HD1 1 1 15 6197 1 1 4 HYP HD22 H -7.103 6.959 -3.268 1.00 . A A . 4 HYP HD22 1 1 15 6198 1 1 4 HYP HD23 H -7.945 6.159 -4.608 1.00 . A A . 4 HYP HD23 1 1 15 6199 1 1 4 HYP HG H -9.481 5.473 -2.906 1.00 . A A . 4 HYP HG 1 1 15 6200 1 1 4 HYP N N -6.347 5.050 -3.785 1.00 . A A . 4 HYP N 1 1 15 6201 1 1 4 HYP O O -6.631 2.675 -5.240 1.00 . A A . 4 HYP O 1 1 15 6202 1 1 4 HYP OD1 O -8.146 5.930 -1.395 1.00 . A A . 4 HYP OD1 1 1 15 6203 1 1 5 ASN C C -4.949 0.017 -5.189 1.00 . A A . 5 ASN C 1 1 15 6204 1 1 5 ASN CA C -6.075 0.082 -4.136 1.00 . A A . 5 ASN CA 1 1 15 6205 1 1 5 ASN CB C -7.470 -0.300 -4.783 1.00 . A A . 5 ASN CB 1 1 15 6206 1 1 5 ASN CG C -7.614 -0.050 -6.302 1.00 . A A . 5 ASN CG 1 1 15 6207 1 1 5 ASN H H -6.136 1.421 -2.465 1.00 . A A . 5 ASN H 1 1 15 6208 1 1 5 ASN HA H -5.852 -0.657 -3.382 1.00 . A A . 5 ASN HA 1 1 15 6209 1 1 5 ASN HB2 H -7.655 -1.348 -4.601 1.00 . A A . 5 ASN HB2 1 1 15 6210 1 1 5 ASN HB3 H -8.252 0.255 -4.286 1.00 . A A . 5 ASN HB3 1 1 15 6211 1 1 5 ASN HD21 H -9.026 -1.432 -6.481 1.00 . A A . 5 ASN HD21 1 1 15 6212 1 1 5 ASN HD22 H -8.608 -0.634 -7.918 1.00 . A A . 5 ASN HD22 1 1 15 6213 1 1 5 ASN N N -6.232 1.405 -3.440 1.00 . A A . 5 ASN N 1 1 15 6214 1 1 5 ASN ND2 N -8.488 -0.765 -6.955 1.00 . A A . 5 ASN ND2 1 1 15 6215 1 1 5 ASN O O -4.757 -1.016 -5.800 1.00 . A A . 5 ASN O 1 1 15 6216 1 1 5 ASN OD1 O -6.959 0.771 -6.914 1.00 . A A . 5 ASN OD1 1 1 15 6217 1 1 6 GLN C C -1.932 0.314 -5.837 1.00 . A A . 6 GLN C 1 1 15 6218 1 1 6 GLN CA C -3.125 1.099 -6.390 1.00 . A A . 6 GLN CA 1 1 15 6219 1 1 6 GLN CB C -2.708 2.555 -6.687 1.00 . A A . 6 GLN CB 1 1 15 6220 1 1 6 GLN CD C -1.117 2.548 -8.662 1.00 . A A . 6 GLN CD 1 1 15 6221 1 1 6 GLN CG C -2.570 2.763 -8.219 1.00 . A A . 6 GLN CG 1 1 15 6222 1 1 6 GLN H H -4.423 1.912 -4.871 1.00 . A A . 6 GLN H 1 1 15 6223 1 1 6 GLN HA H -3.481 0.609 -7.286 1.00 . A A . 6 GLN HA 1 1 15 6224 1 1 6 GLN HB2 H -3.463 3.224 -6.306 1.00 . A A . 6 GLN HB2 1 1 15 6225 1 1 6 GLN HB3 H -1.777 2.791 -6.191 1.00 . A A . 6 GLN HB3 1 1 15 6226 1 1 6 GLN HE21 H -1.115 4.189 -9.775 1.00 . A A . 6 GLN HE21 1 1 15 6227 1 1 6 GLN HE22 H 0.341 3.324 -9.769 1.00 . A A . 6 GLN HE22 1 1 15 6228 1 1 6 GLN HG2 H -3.202 2.084 -8.773 1.00 . A A . 6 GLN HG2 1 1 15 6229 1 1 6 GLN HG3 H -2.853 3.771 -8.475 1.00 . A A . 6 GLN HG3 1 1 15 6230 1 1 6 GLN N N -4.234 1.099 -5.382 1.00 . A A . 6 GLN N 1 1 15 6231 1 1 6 GLN NE2 N -0.585 3.425 -9.469 1.00 . A A . 6 GLN NE2 1 1 15 6232 1 1 6 GLN O O -1.492 0.560 -4.731 1.00 . A A . 6 GLN O 1 1 15 6233 1 1 6 GLN OE1 O -0.460 1.597 -8.286 1.00 . A A . 6 GLN OE1 1 1 15 6234 1 1 7 LYS C C 0.888 -0.692 -5.614 1.00 . A A . 7 LYS C 1 1 15 6235 1 1 7 LYS CA C -0.290 -1.462 -6.251 1.00 . A A . 7 LYS CA 1 1 15 6236 1 1 7 LYS CB C 0.194 -2.225 -7.519 1.00 . A A . 7 LYS CB 1 1 15 6237 1 1 7 LYS CD C 1.827 -3.827 -6.351 1.00 . A A . 7 LYS CD 1 1 15 6238 1 1 7 LYS CE C 3.049 -3.735 -7.286 1.00 . A A . 7 LYS CE 1 1 15 6239 1 1 7 LYS CG C 0.508 -3.708 -7.167 1.00 . A A . 7 LYS CG 1 1 15 6240 1 1 7 LYS H H -1.864 -0.728 -7.518 1.00 . A A . 7 LYS H 1 1 15 6241 1 1 7 LYS HA H -0.655 -2.182 -5.539 1.00 . A A . 7 LYS HA 1 1 15 6242 1 1 7 LYS HB2 H -0.591 -2.214 -8.264 1.00 . A A . 7 LYS HB2 1 1 15 6243 1 1 7 LYS HB3 H 1.062 -1.752 -7.949 1.00 . A A . 7 LYS HB3 1 1 15 6244 1 1 7 LYS HD2 H 1.891 -3.050 -5.606 1.00 . A A . 7 LYS HD2 1 1 15 6245 1 1 7 LYS HD3 H 1.838 -4.778 -5.839 1.00 . A A . 7 LYS HD3 1 1 15 6246 1 1 7 LYS HE2 H 2.874 -3.037 -8.092 1.00 . A A . 7 LYS HE2 1 1 15 6247 1 1 7 LYS HE3 H 3.916 -3.411 -6.728 1.00 . A A . 7 LYS HE3 1 1 15 6248 1 1 7 LYS HG2 H -0.305 -4.124 -6.592 1.00 . A A . 7 LYS HG2 1 1 15 6249 1 1 7 LYS HG3 H 0.592 -4.278 -8.080 1.00 . A A . 7 LYS HG3 1 1 15 6250 1 1 7 LYS HZ1 H 2.473 -5.455 -8.305 1.00 . A A . 7 LYS HZ1 1 1 15 6251 1 1 7 LYS HZ2 H 4.076 -4.979 -8.600 1.00 . A A . 7 LYS HZ2 1 1 15 6252 1 1 7 LYS HZ3 H 3.668 -5.716 -7.125 1.00 . A A . 7 LYS HZ3 1 1 15 6253 1 1 7 LYS N N -1.450 -0.603 -6.639 1.00 . A A . 7 LYS N 1 1 15 6254 1 1 7 LYS NZ N 3.339 -5.073 -7.874 1.00 . A A . 7 LYS NZ 1 1 15 6255 1 1 7 LYS O O 1.697 -0.087 -6.291 1.00 . A A . 7 LYS O 1 1 15 6256 1 1 8 CYS C C 2.364 -1.013 -2.343 1.00 . A A . 8 CYS C 1 1 15 6257 1 1 8 CYS CA C 1.984 -0.081 -3.495 1.00 . A A . 8 CYS CA 1 1 15 6258 1 1 8 CYS CB C 1.441 1.224 -2.943 1.00 . A A . 8 CYS CB 1 1 15 6259 1 1 8 CYS H H 0.225 -1.257 -3.835 1.00 . A A . 8 CYS H 1 1 15 6260 1 1 8 CYS HA H 2.856 0.096 -4.109 1.00 . A A . 8 CYS HA 1 1 15 6261 1 1 8 CYS HB2 H 2.236 1.727 -2.413 1.00 . A A . 8 CYS HB2 1 1 15 6262 1 1 8 CYS HB3 H 1.165 1.851 -3.778 1.00 . A A . 8 CYS HB3 1 1 15 6263 1 1 8 CYS N N 0.922 -0.754 -4.305 1.00 . A A . 8 CYS N 1 1 15 6264 1 1 8 CYS O O 1.501 -1.625 -1.745 1.00 . A A . 8 CYS O 1 1 15 6265 1 1 8 CYS SG S 0.015 1.137 -1.833 1.00 . A A . 8 CYS SG 1 1 15 6266 1 1 9 PHE C C 4.118 -1.243 0.384 1.00 . A A . 9 PHE C 1 1 15 6267 1 1 9 PHE CA C 4.099 -1.987 -0.951 1.00 . A A . 9 PHE CA 1 1 15 6268 1 1 9 PHE CB C 5.511 -2.503 -1.294 1.00 . A A . 9 PHE CB 1 1 15 6269 1 1 9 PHE CD1 C 4.820 -3.850 -3.332 1.00 . A A . 9 PHE CD1 1 1 15 6270 1 1 9 PHE CD2 C 5.865 -5.003 -1.524 1.00 . A A . 9 PHE CD2 1 1 15 6271 1 1 9 PHE CE1 C 4.715 -5.036 -4.028 1.00 . A A . 9 PHE CE1 1 1 15 6272 1 1 9 PHE CE2 C 5.759 -6.190 -2.220 1.00 . A A . 9 PHE CE2 1 1 15 6273 1 1 9 PHE CG C 5.397 -3.823 -2.072 1.00 . A A . 9 PHE CG 1 1 15 6274 1 1 9 PHE CZ C 5.184 -6.206 -3.473 1.00 . A A . 9 PHE CZ 1 1 15 6275 1 1 9 PHE H H 4.289 -0.575 -2.570 1.00 . A A . 9 PHE H 1 1 15 6276 1 1 9 PHE HA H 3.417 -2.821 -0.862 1.00 . A A . 9 PHE HA 1 1 15 6277 1 1 9 PHE HB2 H 6.031 -1.787 -1.911 1.00 . A A . 9 PHE HB2 1 1 15 6278 1 1 9 PHE HB3 H 6.090 -2.671 -0.397 1.00 . A A . 9 PHE HB3 1 1 15 6279 1 1 9 PHE HD1 H 4.450 -2.937 -3.775 1.00 . A A . 9 PHE HD1 1 1 15 6280 1 1 9 PHE HD2 H 6.319 -5.000 -0.543 1.00 . A A . 9 PHE HD2 1 1 15 6281 1 1 9 PHE HE1 H 4.263 -5.049 -5.009 1.00 . A A . 9 PHE HE1 1 1 15 6282 1 1 9 PHE HE2 H 6.128 -7.106 -1.784 1.00 . A A . 9 PHE HE2 1 1 15 6283 1 1 9 PHE HZ H 5.101 -7.136 -4.017 1.00 . A A . 9 PHE HZ 1 1 15 6284 1 1 9 PHE N N 3.637 -1.097 -2.059 1.00 . A A . 9 PHE N 1 1 15 6285 1 1 9 PHE O O 4.206 -0.032 0.435 1.00 . A A . 9 PHE O 1 1 15 6286 1 1 10 GLN C C 5.289 -0.673 3.082 1.00 . A A . 10 GLN C 1 1 15 6287 1 1 10 GLN CA C 4.031 -1.512 2.823 1.00 . A A . 10 GLN CA 1 1 15 6288 1 1 10 GLN CB C 3.979 -2.712 3.798 1.00 . A A . 10 GLN CB 1 1 15 6289 1 1 10 GLN CD C 2.458 -4.264 2.490 1.00 . A A . 10 GLN CD 1 1 15 6290 1 1 10 GLN CG C 2.590 -3.396 3.751 1.00 . A A . 10 GLN CG 1 1 15 6291 1 1 10 GLN H H 3.956 -2.992 1.293 1.00 . A A . 10 GLN H 1 1 15 6292 1 1 10 GLN HA H 3.156 -0.898 2.940 1.00 . A A . 10 GLN HA 1 1 15 6293 1 1 10 GLN HB2 H 4.753 -3.424 3.544 1.00 . A A . 10 GLN HB2 1 1 15 6294 1 1 10 GLN HB3 H 4.161 -2.363 4.805 1.00 . A A . 10 GLN HB3 1 1 15 6295 1 1 10 GLN HE21 H 1.461 -2.876 1.475 1.00 . A A . 10 GLN HE21 1 1 15 6296 1 1 10 GLN HE22 H 1.747 -4.331 0.644 1.00 . A A . 10 GLN HE22 1 1 15 6297 1 1 10 GLN HG2 H 2.465 -4.032 4.616 1.00 . A A . 10 GLN HG2 1 1 15 6298 1 1 10 GLN HG3 H 1.803 -2.656 3.752 1.00 . A A . 10 GLN HG3 1 1 15 6299 1 1 10 GLN N N 4.029 -2.030 1.427 1.00 . A A . 10 GLN N 1 1 15 6300 1 1 10 GLN NE2 N 1.836 -3.782 1.450 1.00 . A A . 10 GLN NE2 1 1 15 6301 1 1 10 GLN O O 5.261 0.276 3.842 1.00 . A A . 10 GLN O 1 1 15 6302 1 1 10 GLN OE1 O 2.920 -5.387 2.438 1.00 . A A . 10 GLN OE1 1 1 15 6303 1 1 11 HIS C C 7.592 1.043 1.929 1.00 . A A . 11 HIS C 1 1 15 6304 1 1 11 HIS CA C 7.663 -0.351 2.575 1.00 . A A . 11 HIS CA 1 1 15 6305 1 1 11 HIS CB C 8.762 -1.201 1.897 1.00 . A A . 11 HIS CB 1 1 15 6306 1 1 11 HIS CD2 C 10.718 -2.076 3.453 1.00 . A A . 11 HIS CD2 1 1 15 6307 1 1 11 HIS CE1 C 11.782 -0.304 3.619 1.00 . A A . 11 HIS CE1 1 1 15 6308 1 1 11 HIS CG C 10.050 -1.113 2.719 1.00 . A A . 11 HIS CG 1 1 15 6309 1 1 11 HIS H H 6.297 -1.840 1.834 1.00 . A A . 11 HIS H 1 1 15 6310 1 1 11 HIS HA H 7.870 -0.232 3.629 1.00 . A A . 11 HIS HA 1 1 15 6311 1 1 11 HIS HB2 H 8.458 -2.236 1.842 1.00 . A A . 11 HIS HB2 1 1 15 6312 1 1 11 HIS HB3 H 8.969 -0.849 0.897 1.00 . A A . 11 HIS HB3 1 1 15 6313 1 1 11 HIS HD1 H 10.559 0.827 2.467 1.00 . A A . 11 HIS HD1 1 1 15 6314 1 1 11 HIS HD2 H 10.404 -3.104 3.557 1.00 . A A . 11 HIS HD2 1 1 15 6315 1 1 11 HIS HE1 H 12.532 0.424 3.894 1.00 . A A . 11 HIS HE1 1 1 15 6316 1 1 11 HIS N N 6.357 -1.063 2.431 1.00 . A A . 11 HIS N 1 1 15 6317 1 1 11 HIS ND1 N 10.762 -0.045 2.865 1.00 . A A . 11 HIS ND1 1 1 15 6318 1 1 11 HIS NE2 N 11.796 -1.556 4.007 1.00 . A A . 11 HIS NE2 1 1 15 6319 1 1 11 HIS O O 8.215 1.973 2.405 1.00 . A A . 11 HIS O 1 1 15 6320 1 1 12 LEU C C 5.165 2.757 -0.019 1.00 . A A . 12 LEU C 1 1 15 6321 1 1 12 LEU CA C 6.658 2.417 0.125 1.00 . A A . 12 LEU CA 1 1 15 6322 1 1 12 LEU CB C 7.330 2.283 -1.273 1.00 . A A . 12 LEU CB 1 1 15 6323 1 1 12 LEU CD1 C 6.325 1.347 -3.422 1.00 . A A . 12 LEU CD1 1 1 15 6324 1 1 12 LEU CD2 C 8.047 0.012 -2.162 1.00 . A A . 12 LEU CD2 1 1 15 6325 1 1 12 LEU CG C 6.857 0.987 -2.017 1.00 . A A . 12 LEU CG 1 1 15 6326 1 1 12 LEU H H 6.366 0.327 0.547 1.00 . A A . 12 LEU H 1 1 15 6327 1 1 12 LEU HA H 7.134 3.217 0.672 1.00 . A A . 12 LEU HA 1 1 15 6328 1 1 12 LEU HB2 H 7.091 3.161 -1.856 1.00 . A A . 12 LEU HB2 1 1 15 6329 1 1 12 LEU HB3 H 8.402 2.268 -1.134 1.00 . A A . 12 LEU HB3 1 1 15 6330 1 1 12 LEU HD11 H 7.084 1.862 -3.993 1.00 . A A . 12 LEU HD11 1 1 15 6331 1 1 12 LEU HD12 H 6.042 0.449 -3.951 1.00 . A A . 12 LEU HD12 1 1 15 6332 1 1 12 LEU HD13 H 5.457 1.985 -3.346 1.00 . A A . 12 LEU HD13 1 1 15 6333 1 1 12 LEU HD21 H 8.917 0.530 -2.540 1.00 . A A . 12 LEU HD21 1 1 15 6334 1 1 12 LEU HD22 H 8.288 -0.420 -1.202 1.00 . A A . 12 LEU HD22 1 1 15 6335 1 1 12 LEU HD23 H 7.799 -0.787 -2.847 1.00 . A A . 12 LEU HD23 1 1 15 6336 1 1 12 LEU HG H 6.065 0.498 -1.468 1.00 . A A . 12 LEU HG 1 1 15 6337 1 1 12 LEU N N 6.831 1.128 0.866 1.00 . A A . 12 LEU N 1 1 15 6338 1 1 12 LEU O O 4.586 2.664 -1.085 1.00 . A A . 12 LEU O 1 1 15 6339 1 1 13 ASP C C 3.000 5.006 0.761 1.00 . A A . 13 ASP C 1 1 15 6340 1 1 13 ASP CA C 3.131 3.511 1.091 1.00 . A A . 13 ASP CA 1 1 15 6341 1 1 13 ASP CB C 2.535 3.178 2.493 1.00 . A A . 13 ASP CB 1 1 15 6342 1 1 13 ASP CG C 3.435 3.688 3.638 1.00 . A A . 13 ASP CG 1 1 15 6343 1 1 13 ASP H H 5.101 3.197 1.913 1.00 . A A . 13 ASP H 1 1 15 6344 1 1 13 ASP HA H 2.620 2.945 0.329 1.00 . A A . 13 ASP HA 1 1 15 6345 1 1 13 ASP HB2 H 1.552 3.616 2.587 1.00 . A A . 13 ASP HB2 1 1 15 6346 1 1 13 ASP HB3 H 2.433 2.107 2.586 1.00 . A A . 13 ASP HB3 1 1 15 6347 1 1 13 ASP N N 4.582 3.146 1.085 1.00 . A A . 13 ASP N 1 1 15 6348 1 1 13 ASP O O 2.833 5.852 1.618 1.00 . A A . 13 ASP O 1 1 15 6349 1 1 13 ASP OD1 O 4.386 2.983 3.938 1.00 . A A . 13 ASP OD1 1 1 15 6350 1 1 13 ASP OD2 O 3.125 4.750 4.149 1.00 . A A . 13 ASP OD2 1 1 15 6351 1 1 14 ASP C C 1.534 7.041 -1.382 1.00 . A A . 14 ASP C 1 1 15 6352 1 1 14 ASP CA C 2.987 6.651 -1.063 1.00 . A A . 14 ASP CA 1 1 15 6353 1 1 14 ASP CB C 3.859 6.705 -2.329 1.00 . A A . 14 ASP CB 1 1 15 6354 1 1 14 ASP CG C 3.520 5.516 -3.252 1.00 . A A . 14 ASP CG 1 1 15 6355 1 1 14 ASP H H 3.218 4.533 -1.155 1.00 . A A . 14 ASP H 1 1 15 6356 1 1 14 ASP HA H 3.376 7.345 -0.333 1.00 . A A . 14 ASP HA 1 1 15 6357 1 1 14 ASP HB2 H 3.678 7.622 -2.861 1.00 . A A . 14 ASP HB2 1 1 15 6358 1 1 14 ASP HB3 H 4.904 6.665 -2.059 1.00 . A A . 14 ASP HB3 1 1 15 6359 1 1 14 ASP N N 3.085 5.265 -0.518 1.00 . A A . 14 ASP N 1 1 15 6360 1 1 14 ASP O O 1.292 8.028 -2.051 1.00 . A A . 14 ASP O 1 1 15 6361 1 1 14 ASP OD1 O 2.537 5.644 -3.963 1.00 . A A . 14 ASP OD1 1 1 15 6362 1 1 14 ASP OD2 O 4.261 4.547 -3.191 1.00 . A A . 14 ASP OD2 1 1 15 6363 1 1 15 CYS C C -1.287 7.852 -0.520 1.00 . A A . 15 CYS C 1 1 15 6364 1 1 15 CYS CA C -0.842 6.519 -1.125 1.00 . A A . 15 CYS CA 1 1 15 6365 1 1 15 CYS CB C -1.624 5.368 -0.510 1.00 . A A . 15 CYS CB 1 1 15 6366 1 1 15 CYS H H 0.859 5.473 -0.356 1.00 . A A . 15 CYS H 1 1 15 6367 1 1 15 CYS HA H -1.024 6.544 -2.185 1.00 . A A . 15 CYS HA 1 1 15 6368 1 1 15 CYS HB2 H -1.615 5.467 0.565 1.00 . A A . 15 CYS HB2 1 1 15 6369 1 1 15 CYS HB3 H -2.648 5.432 -0.834 1.00 . A A . 15 CYS HB3 1 1 15 6370 1 1 15 CYS N N 0.608 6.255 -0.890 1.00 . A A . 15 CYS N 1 1 15 6371 1 1 15 CYS O O -0.542 8.485 0.204 1.00 . A A . 15 CYS O 1 1 15 6372 1 1 15 CYS SG S -1.024 3.709 -0.903 1.00 . A A . 15 CYS SG 1 1 15 6373 1 1 16 CYS C C -3.288 9.319 1.182 1.00 . A A . 16 CYS C 1 1 15 6374 1 1 16 CYS CA C -3.062 9.513 -0.324 1.00 . A A . 16 CYS CA 1 1 15 6375 1 1 16 CYS CB C -4.387 9.801 -1.058 1.00 . A A . 16 CYS CB 1 1 15 6376 1 1 16 CYS H H -3.034 7.666 -1.433 1.00 . A A . 16 CYS H 1 1 15 6377 1 1 16 CYS HA H -2.346 10.304 -0.475 1.00 . A A . 16 CYS HA 1 1 15 6378 1 1 16 CYS HB2 H -4.352 9.353 -2.038 1.00 . A A . 16 CYS HB2 1 1 15 6379 1 1 16 CYS HB3 H -5.202 9.336 -0.520 1.00 . A A . 16 CYS HB3 1 1 15 6380 1 1 16 CYS N N -2.495 8.232 -0.845 1.00 . A A . 16 CYS N 1 1 15 6381 1 1 16 CYS O O -3.160 10.236 1.969 1.00 . A A . 16 CYS O 1 1 15 6382 1 1 16 CYS SG S -4.807 11.545 -1.288 1.00 . A A . 16 CYS SG 1 1 15 6383 1 1 17 SER C C -2.565 7.163 3.526 1.00 . A A . 17 SER C 1 1 15 6384 1 1 17 SER CA C -3.883 7.665 2.902 1.00 . A A . 17 SER CA 1 1 15 6385 1 1 17 SER CB C -4.925 6.547 2.857 1.00 . A A . 17 SER CB 1 1 15 6386 1 1 17 SER H H -3.714 7.415 0.807 1.00 . A A . 17 SER H 1 1 15 6387 1 1 17 SER HA H -4.251 8.503 3.477 1.00 . A A . 17 SER HA 1 1 15 6388 1 1 17 SER HB2 H -5.134 6.174 3.841 1.00 . A A . 17 SER HB2 1 1 15 6389 1 1 17 SER HB3 H -5.836 6.870 2.375 1.00 . A A . 17 SER HB3 1 1 15 6390 1 1 17 SER HG H -4.705 4.678 2.343 1.00 . A A . 17 SER HG 1 1 15 6391 1 1 17 SER N N -3.623 8.095 1.504 1.00 . A A . 17 SER N 1 1 15 6392 1 1 17 SER O O -2.496 6.937 4.719 1.00 . A A . 17 SER O 1 1 15 6393 1 1 17 SER OG O -4.317 5.517 2.083 1.00 . A A . 17 SER OG 1 1 15 6394 1 1 18 ARG C C -0.360 5.143 3.759 1.00 . A A . 18 ARG C 1 1 15 6395 1 1 18 ARG CA C -0.210 6.522 3.096 1.00 . A A . 18 ARG CA 1 1 15 6396 1 1 18 ARG CB C 0.433 7.542 4.093 1.00 . A A . 18 ARG CB 1 1 15 6397 1 1 18 ARG CD C -0.190 9.778 3.032 1.00 . A A . 18 ARG CD 1 1 15 6398 1 1 18 ARG CG C 0.953 8.795 3.340 1.00 . A A . 18 ARG CG 1 1 15 6399 1 1 18 ARG CZ C -0.877 11.417 4.685 1.00 . A A . 18 ARG CZ 1 1 15 6400 1 1 18 ARG H H -1.718 7.216 1.736 1.00 . A A . 18 ARG H 1 1 15 6401 1 1 18 ARG HA H 0.399 6.413 2.212 1.00 . A A . 18 ARG HA 1 1 15 6402 1 1 18 ARG HB2 H -0.267 7.826 4.863 1.00 . A A . 18 ARG HB2 1 1 15 6403 1 1 18 ARG HB3 H 1.281 7.077 4.576 1.00 . A A . 18 ARG HB3 1 1 15 6404 1 1 18 ARG HD2 H 0.202 10.659 2.544 1.00 . A A . 18 ARG HD2 1 1 15 6405 1 1 18 ARG HD3 H -0.919 9.319 2.387 1.00 . A A . 18 ARG HD3 1 1 15 6406 1 1 18 ARG HE H -1.293 9.484 4.864 1.00 . A A . 18 ARG HE 1 1 15 6407 1 1 18 ARG HG2 H 1.692 9.294 3.951 1.00 . A A . 18 ARG HG2 1 1 15 6408 1 1 18 ARG HG3 H 1.427 8.500 2.415 1.00 . A A . 18 ARG HG3 1 1 15 6409 1 1 18 ARG HH11 H 1.068 11.412 5.161 1.00 . A A . 18 ARG HH11 1 1 15 6410 1 1 18 ARG HH12 H 0.240 12.912 5.413 1.00 . A A . 18 ARG HH12 1 1 15 6411 1 1 18 ARG HH21 H -2.825 11.635 4.274 1.00 . A A . 18 ARG HH21 1 1 15 6412 1 1 18 ARG HH22 H -2.027 13.041 4.897 1.00 . A A . 18 ARG HH22 1 1 15 6413 1 1 18 ARG N N -1.568 7.007 2.681 1.00 . A A . 18 ARG N 1 1 15 6414 1 1 18 ARG NE N -0.862 10.167 4.308 1.00 . A A . 18 ARG NE 1 1 15 6415 1 1 18 ARG NH1 N 0.229 11.956 5.121 1.00 . A A . 18 ARG NH1 1 1 15 6416 1 1 18 ARG NH2 N -1.998 12.083 4.613 1.00 . A A . 18 ARG NH2 1 1 15 6417 1 1 18 ARG O O 0.359 4.791 4.674 1.00 . A A . 18 ARG O 1 1 15 6418 1 1 19 LYS C C -1.737 2.053 2.600 1.00 . A A . 19 LYS C 1 1 15 6419 1 1 19 LYS CA C -1.616 3.042 3.766 1.00 . A A . 19 LYS CA 1 1 15 6420 1 1 19 LYS CB C -2.930 3.114 4.546 1.00 . A A . 19 LYS CB 1 1 15 6421 1 1 19 LYS CD C -2.876 2.187 6.912 1.00 . A A . 19 LYS CD 1 1 15 6422 1 1 19 LYS CE C -1.716 1.195 6.706 1.00 . A A . 19 LYS CE 1 1 15 6423 1 1 19 LYS CG C -2.665 3.444 6.037 1.00 . A A . 19 LYS CG 1 1 15 6424 1 1 19 LYS H H -1.869 4.746 2.519 1.00 . A A . 19 LYS H 1 1 15 6425 1 1 19 LYS HA H -0.810 2.713 4.408 1.00 . A A . 19 LYS HA 1 1 15 6426 1 1 19 LYS HB2 H -3.556 3.886 4.123 1.00 . A A . 19 LYS HB2 1 1 15 6427 1 1 19 LYS HB3 H -3.446 2.177 4.432 1.00 . A A . 19 LYS HB3 1 1 15 6428 1 1 19 LYS HD2 H -2.917 2.482 7.950 1.00 . A A . 19 LYS HD2 1 1 15 6429 1 1 19 LYS HD3 H -3.811 1.711 6.657 1.00 . A A . 19 LYS HD3 1 1 15 6430 1 1 19 LYS HE2 H -1.763 0.759 5.719 1.00 . A A . 19 LYS HE2 1 1 15 6431 1 1 19 LYS HE3 H -0.764 1.690 6.830 1.00 . A A . 19 LYS HE3 1 1 15 6432 1 1 19 LYS HG2 H -1.665 3.824 6.178 1.00 . A A . 19 LYS HG2 1 1 15 6433 1 1 19 LYS HG3 H -3.360 4.210 6.351 1.00 . A A . 19 LYS HG3 1 1 15 6434 1 1 19 LYS HZ1 H -2.757 -0.337 7.654 1.00 . A A . 19 LYS HZ1 1 1 15 6435 1 1 19 LYS HZ2 H -1.087 -0.617 7.515 1.00 . A A . 19 LYS HZ2 1 1 15 6436 1 1 19 LYS HZ3 H -1.671 0.491 8.663 1.00 . A A . 19 LYS HZ3 1 1 15 6437 1 1 19 LYS N N -1.318 4.406 3.253 1.00 . A A . 19 LYS N 1 1 15 6438 1 1 19 LYS NZ N -1.815 0.099 7.710 1.00 . A A . 19 LYS NZ 1 1 15 6439 1 1 19 LYS O O -2.512 2.270 1.689 1.00 . A A . 19 LYS O 1 1 15 6440 1 1 20 CYS C C -1.231 -1.377 2.363 1.00 . A A . 20 CYS C 1 1 15 6441 1 1 20 CYS CA C -0.945 -0.057 1.637 1.00 . A A . 20 CYS CA 1 1 15 6442 1 1 20 CYS CB C 0.427 -0.027 0.994 1.00 . A A . 20 CYS CB 1 1 15 6443 1 1 20 CYS H H -0.342 0.886 3.422 1.00 . A A . 20 CYS H 1 1 15 6444 1 1 20 CYS HA H -1.719 0.134 0.912 1.00 . A A . 20 CYS HA 1 1 15 6445 1 1 20 CYS HB2 H 1.178 -0.086 1.769 1.00 . A A . 20 CYS HB2 1 1 15 6446 1 1 20 CYS HB3 H 0.523 -0.899 0.384 1.00 . A A . 20 CYS HB3 1 1 15 6447 1 1 20 CYS N N -0.957 1.004 2.673 1.00 . A A . 20 CYS N 1 1 15 6448 1 1 20 CYS O O -0.452 -1.812 3.189 1.00 . A A . 20 CYS O 1 1 15 6449 1 1 20 CYS SG S 0.763 1.457 0.016 1.00 . A A . 20 CYS SG 1 1 15 6450 1 1 21 ASN C C -1.845 -4.440 2.296 1.00 . A A . 21 ASN C 1 1 15 6451 1 1 21 ASN CA C -2.764 -3.264 2.659 1.00 . A A . 21 ASN CA 1 1 15 6452 1 1 21 ASN CB C -4.226 -3.577 2.224 1.00 . A A . 21 ASN CB 1 1 15 6453 1 1 21 ASN CG C -4.415 -3.350 0.717 1.00 . A A . 21 ASN CG 1 1 15 6454 1 1 21 ASN H H -2.921 -1.562 1.346 1.00 . A A . 21 ASN H 1 1 15 6455 1 1 21 ASN HA H -2.742 -3.139 3.733 1.00 . A A . 21 ASN HA 1 1 15 6456 1 1 21 ASN HB2 H -4.477 -4.604 2.445 1.00 . A A . 21 ASN HB2 1 1 15 6457 1 1 21 ASN HB3 H -4.909 -2.938 2.760 1.00 . A A . 21 ASN HB3 1 1 15 6458 1 1 21 ASN HD21 H -2.702 -4.217 0.261 1.00 . A A . 21 ASN HD21 1 1 15 6459 1 1 21 ASN HD22 H -3.592 -3.647 -1.062 1.00 . A A . 21 ASN HD22 1 1 15 6460 1 1 21 ASN N N -2.348 -1.970 2.028 1.00 . A A . 21 ASN N 1 1 15 6461 1 1 21 ASN ND2 N -3.493 -3.773 -0.098 1.00 . A A . 21 ASN ND2 1 1 15 6462 1 1 21 ASN O O -0.921 -4.305 1.517 1.00 . A A . 21 ASN O 1 1 15 6463 1 1 21 ASN OD1 O -5.395 -2.790 0.269 1.00 . A A . 21 ASN OD1 1 1 15 6464 1 1 22 ARG C C -1.378 -7.286 1.219 1.00 . A A . 22 ARG C 1 1 15 6465 1 1 22 ARG CA C -1.394 -6.823 2.686 1.00 . A A . 22 ARG CA 1 1 15 6466 1 1 22 ARG CB C -2.024 -7.912 3.578 1.00 . A A . 22 ARG CB 1 1 15 6467 1 1 22 ARG CD C -4.069 -9.396 3.732 1.00 . A A . 22 ARG CD 1 1 15 6468 1 1 22 ARG CG C -3.557 -8.002 3.336 1.00 . A A . 22 ARG CG 1 1 15 6469 1 1 22 ARG CZ C -4.342 -10.619 5.804 1.00 . A A . 22 ARG CZ 1 1 15 6470 1 1 22 ARG H H -2.908 -5.592 3.510 1.00 . A A . 22 ARG H 1 1 15 6471 1 1 22 ARG HA H -0.386 -6.642 3.012 1.00 . A A . 22 ARG HA 1 1 15 6472 1 1 22 ARG HB2 H -1.558 -8.858 3.359 1.00 . A A . 22 ARG HB2 1 1 15 6473 1 1 22 ARG HB3 H -1.838 -7.674 4.615 1.00 . A A . 22 ARG HB3 1 1 15 6474 1 1 22 ARG HD2 H -5.134 -9.463 3.568 1.00 . A A . 22 ARG HD2 1 1 15 6475 1 1 22 ARG HD3 H -3.572 -10.165 3.158 1.00 . A A . 22 ARG HD3 1 1 15 6476 1 1 22 ARG HE H -3.196 -9.001 5.665 1.00 . A A . 22 ARG HE 1 1 15 6477 1 1 22 ARG HG2 H -4.065 -7.253 3.926 1.00 . A A . 22 ARG HG2 1 1 15 6478 1 1 22 ARG HG3 H -3.784 -7.827 2.295 1.00 . A A . 22 ARG HG3 1 1 15 6479 1 1 22 ARG HH11 H -3.102 -11.954 4.980 1.00 . A A . 22 ARG HH11 1 1 15 6480 1 1 22 ARG HH12 H -4.282 -12.602 6.071 1.00 . A A . 22 ARG HH12 1 1 15 6481 1 1 22 ARG HH21 H -5.676 -9.453 6.734 1.00 . A A . 22 ARG HH21 1 1 15 6482 1 1 22 ARG HH22 H -5.782 -11.145 7.092 1.00 . A A . 22 ARG HH22 1 1 15 6483 1 1 22 ARG N N -2.152 -5.562 2.895 1.00 . A A . 22 ARG N 1 1 15 6484 1 1 22 ARG NE N -3.790 -9.612 5.182 1.00 . A A . 22 ARG NE 1 1 15 6485 1 1 22 ARG NH1 N -3.872 -11.819 5.603 1.00 . A A . 22 ARG NH1 1 1 15 6486 1 1 22 ARG NH2 N -5.345 -10.387 6.606 1.00 . A A . 22 ARG NH2 1 1 15 6487 1 1 22 ARG O O -0.586 -8.135 0.855 1.00 . A A . 22 ARG O 1 1 15 6488 1 1 23 PHE C C -1.384 -6.186 -1.827 1.00 . A A . 23 PHE C 1 1 15 6489 1 1 23 PHE CA C -2.335 -7.077 -1.020 1.00 . A A . 23 PHE CA 1 1 15 6490 1 1 23 PHE CB C -3.783 -6.870 -1.477 1.00 . A A . 23 PHE CB 1 1 15 6491 1 1 23 PHE CD1 C -4.781 -8.838 -0.222 1.00 . A A . 23 PHE CD1 1 1 15 6492 1 1 23 PHE CD2 C -5.641 -6.661 0.237 1.00 . A A . 23 PHE CD2 1 1 15 6493 1 1 23 PHE CE1 C -5.660 -9.376 0.694 1.00 . A A . 23 PHE CE1 1 1 15 6494 1 1 23 PHE CE2 C -6.520 -7.199 1.153 1.00 . A A . 23 PHE CE2 1 1 15 6495 1 1 23 PHE CG C -4.764 -7.474 -0.458 1.00 . A A . 23 PHE CG 1 1 15 6496 1 1 23 PHE CZ C -6.530 -8.557 1.382 1.00 . A A . 23 PHE CZ 1 1 15 6497 1 1 23 PHE H H -2.870 -6.036 0.750 1.00 . A A . 23 PHE H 1 1 15 6498 1 1 23 PHE HA H -2.046 -8.110 -1.154 1.00 . A A . 23 PHE HA 1 1 15 6499 1 1 23 PHE HB2 H -4.000 -5.818 -1.598 1.00 . A A . 23 PHE HB2 1 1 15 6500 1 1 23 PHE HB3 H -3.924 -7.359 -2.419 1.00 . A A . 23 PHE HB3 1 1 15 6501 1 1 23 PHE HD1 H -4.102 -9.485 -0.755 1.00 . A A . 23 PHE HD1 1 1 15 6502 1 1 23 PHE HD2 H -5.640 -5.595 0.062 1.00 . A A . 23 PHE HD2 1 1 15 6503 1 1 23 PHE HE1 H -5.667 -10.441 0.873 1.00 . A A . 23 PHE HE1 1 1 15 6504 1 1 23 PHE HE2 H -7.200 -6.555 1.690 1.00 . A A . 23 PHE HE2 1 1 15 6505 1 1 23 PHE HZ H -7.218 -8.979 2.099 1.00 . A A . 23 PHE HZ 1 1 15 6506 1 1 23 PHE N N -2.248 -6.716 0.422 1.00 . A A . 23 PHE N 1 1 15 6507 1 1 23 PHE O O -1.465 -6.130 -3.040 1.00 . A A . 23 PHE O 1 1 15 6508 1 1 24 ASN C C -0.197 -3.632 -2.677 1.00 . A A . 24 ASN C 1 1 15 6509 1 1 24 ASN CA C 0.495 -4.602 -1.722 1.00 . A A . 24 ASN CA 1 1 15 6510 1 1 24 ASN CB C 1.554 -5.450 -2.462 1.00 . A A . 24 ASN CB 1 1 15 6511 1 1 24 ASN CG C 2.321 -6.282 -1.428 1.00 . A A . 24 ASN CG 1 1 15 6512 1 1 24 ASN H H -0.512 -5.622 -0.138 1.00 . A A . 24 ASN H 1 1 15 6513 1 1 24 ASN HA H 0.957 -4.025 -0.937 1.00 . A A . 24 ASN HA 1 1 15 6514 1 1 24 ASN HB2 H 1.095 -6.110 -3.182 1.00 . A A . 24 ASN HB2 1 1 15 6515 1 1 24 ASN HB3 H 2.251 -4.803 -2.973 1.00 . A A . 24 ASN HB3 1 1 15 6516 1 1 24 ASN HD21 H 3.190 -4.697 -0.607 1.00 . A A . 24 ASN HD21 1 1 15 6517 1 1 24 ASN HD22 H 3.601 -6.188 0.090 1.00 . A A . 24 ASN HD22 1 1 15 6518 1 1 24 ASN N N -0.509 -5.519 -1.111 1.00 . A A . 24 ASN N 1 1 15 6519 1 1 24 ASN ND2 N 3.102 -5.673 -0.578 1.00 . A A . 24 ASN ND2 1 1 15 6520 1 1 24 ASN O O 0.287 -3.338 -3.751 1.00 . A A . 24 ASN O 1 1 15 6521 1 1 24 ASN OD1 O 2.216 -7.492 -1.383 1.00 . A A . 24 ASN OD1 1 1 15 6522 1 1 25 LYS C C -2.546 -1.118 -1.961 1.00 . A A . 25 LYS C 1 1 15 6523 1 1 25 LYS CA C -2.180 -2.215 -2.967 1.00 . A A . 25 LYS CA 1 1 15 6524 1 1 25 LYS CB C -3.410 -2.978 -3.471 1.00 . A A . 25 LYS CB 1 1 15 6525 1 1 25 LYS CD C -4.128 -4.692 -5.212 1.00 . A A . 25 LYS CD 1 1 15 6526 1 1 25 LYS CE C -5.387 -4.088 -5.863 1.00 . A A . 25 LYS CE 1 1 15 6527 1 1 25 LYS CG C -3.104 -3.581 -4.865 1.00 . A A . 25 LYS CG 1 1 15 6528 1 1 25 LYS H H -1.657 -3.474 -1.338 1.00 . A A . 25 LYS H 1 1 15 6529 1 1 25 LYS HA H -1.621 -1.772 -3.773 1.00 . A A . 25 LYS HA 1 1 15 6530 1 1 25 LYS HB2 H -3.651 -3.779 -2.792 1.00 . A A . 25 LYS HB2 1 1 15 6531 1 1 25 LYS HB3 H -4.247 -2.306 -3.504 1.00 . A A . 25 LYS HB3 1 1 15 6532 1 1 25 LYS HD2 H -3.675 -5.384 -5.906 1.00 . A A . 25 LYS HD2 1 1 15 6533 1 1 25 LYS HD3 H -4.407 -5.243 -4.324 1.00 . A A . 25 LYS HD3 1 1 15 6534 1 1 25 LYS HE2 H -5.120 -3.381 -6.634 1.00 . A A . 25 LYS HE2 1 1 15 6535 1 1 25 LYS HE3 H -5.982 -4.874 -6.305 1.00 . A A . 25 LYS HE3 1 1 15 6536 1 1 25 LYS HG2 H -3.115 -2.807 -5.617 1.00 . A A . 25 LYS HG2 1 1 15 6537 1 1 25 LYS HG3 H -2.119 -4.025 -4.856 1.00 . A A . 25 LYS HG3 1 1 15 6538 1 1 25 LYS HZ1 H -6.226 -3.958 -3.962 1.00 . A A . 25 LYS HZ1 1 1 15 6539 1 1 25 LYS HZ2 H -5.809 -2.459 -4.639 1.00 . A A . 25 LYS HZ2 1 1 15 6540 1 1 25 LYS HZ3 H -7.185 -3.284 -5.191 1.00 . A A . 25 LYS HZ3 1 1 15 6541 1 1 25 LYS N N -1.332 -3.176 -2.215 1.00 . A A . 25 LYS N 1 1 15 6542 1 1 25 LYS NZ N -6.214 -3.396 -4.836 1.00 . A A . 25 LYS NZ 1 1 15 6543 1 1 25 LYS O O -2.481 -1.352 -0.769 1.00 . A A . 25 LYS O 1 1 15 6544 1 1 26 CYS C C -4.591 0.835 -0.756 1.00 . A A . 26 CYS C 1 1 15 6545 1 1 26 CYS CA C -3.278 1.134 -1.480 1.00 . A A . 26 CYS CA 1 1 15 6546 1 1 26 CYS CB C -3.384 2.452 -2.253 1.00 . A A . 26 CYS CB 1 1 15 6547 1 1 26 CYS H H -2.977 0.215 -3.394 1.00 . A A . 26 CYS H 1 1 15 6548 1 1 26 CYS HA H -2.494 1.222 -0.743 1.00 . A A . 26 CYS HA 1 1 15 6549 1 1 26 CYS HB2 H -3.940 2.282 -3.156 1.00 . A A . 26 CYS HB2 1 1 15 6550 1 1 26 CYS HB3 H -3.942 3.152 -1.658 1.00 . A A . 26 CYS HB3 1 1 15 6551 1 1 26 CYS N N -2.922 0.045 -2.433 1.00 . A A . 26 CYS N 1 1 15 6552 1 1 26 CYS O O -5.270 -0.132 -1.047 1.00 . A A . 26 CYS O 1 1 15 6553 1 1 26 CYS SG S -1.834 3.267 -2.700 1.00 . A A . 26 CYS SG 1 1 15 6554 1 1 27 VAL C C -6.918 2.899 0.965 1.00 . A A . 27 VAL C 1 1 15 6555 1 1 27 VAL CA C -6.133 1.569 0.994 1.00 . A A . 27 VAL CA 1 1 15 6556 1 1 27 VAL CB C -5.698 1.186 2.435 1.00 . A A . 27 VAL CB 1 1 15 6557 1 1 27 VAL CG1 C -6.931 0.825 3.287 1.00 . A A . 27 VAL CG1 1 1 15 6558 1 1 27 VAL CG2 C -4.770 -0.056 2.392 1.00 . A A . 27 VAL CG2 1 1 15 6559 1 1 27 VAL H H -4.287 2.449 0.343 1.00 . A A . 27 VAL H 1 1 15 6560 1 1 27 VAL HA H -6.758 0.791 0.577 1.00 . A A . 27 VAL HA 1 1 15 6561 1 1 27 VAL HB H -5.166 2.016 2.877 1.00 . A A . 27 VAL HB 1 1 15 6562 1 1 27 VAL HG11 H -7.537 0.091 2.777 1.00 . A A . 27 VAL HG11 1 1 15 6563 1 1 27 VAL HG12 H -6.616 0.412 4.235 1.00 . A A . 27 VAL HG12 1 1 15 6564 1 1 27 VAL HG13 H -7.528 1.704 3.475 1.00 . A A . 27 VAL HG13 1 1 15 6565 1 1 27 VAL HG21 H -5.277 -0.879 1.911 1.00 . A A . 27 VAL HG21 1 1 15 6566 1 1 27 VAL HG22 H -3.870 0.160 1.837 1.00 . A A . 27 VAL HG22 1 1 15 6567 1 1 27 VAL HG23 H -4.490 -0.356 3.390 1.00 . A A . 27 VAL HG23 1 1 15 6568 1 1 27 VAL N N -4.892 1.697 0.176 1.00 . A A . 27 VAL N 1 1 15 6569 1 1 27 VAL O O -6.275 3.923 0.789 1.00 . A A . 27 VAL O 1 1 15 6570 1 1 27 VAL OXT O -8.124 2.818 1.121 1.00 . A A . 27 VAL OXT 1 1 16 6571 1 1 1 CYS C C -1.945 10.689 -4.165 1.00 . A A . 1 CYS C 1 1 16 6572 1 1 1 CYS CA C -1.263 11.717 -3.239 1.00 . A A . 1 CYS CA 1 1 16 6573 1 1 1 CYS CB C -2.270 12.428 -2.291 1.00 . A A . 1 CYS CB 1 1 16 6574 1 1 1 CYS H1 H -0.003 12.278 -4.800 1.00 . A A . 1 CYS H1 1 1 16 6575 1 1 1 CYS H2 H -1.446 13.169 -4.719 1.00 . A A . 1 CYS H2 1 1 16 6576 1 1 1 CYS H3 H -0.200 13.470 -3.604 1.00 . A A . 1 CYS H3 1 1 16 6577 1 1 1 CYS HA H -0.466 11.240 -2.686 1.00 . A A . 1 CYS HA 1 1 16 6578 1 1 1 CYS HB2 H -2.085 12.083 -1.286 1.00 . A A . 1 CYS HB2 1 1 16 6579 1 1 1 CYS HB3 H -2.037 13.483 -2.296 1.00 . A A . 1 CYS HB3 1 1 16 6580 1 1 1 CYS N N -0.684 12.735 -4.160 1.00 . A A . 1 CYS N 1 1 16 6581 1 1 1 CYS O O -2.844 11.032 -4.911 1.00 . A A . 1 CYS O 1 1 16 6582 1 1 1 CYS SG S -4.050 12.308 -2.591 1.00 . A A . 1 CYS SG 1 1 16 6583 1 1 2 ARG C C -3.426 7.838 -4.473 1.00 . A A . 2 ARG C 1 1 16 6584 1 1 2 ARG CA C -2.076 8.371 -4.955 1.00 . A A . 2 ARG CA 1 1 16 6585 1 1 2 ARG CB C -1.057 7.209 -5.021 1.00 . A A . 2 ARG CB 1 1 16 6586 1 1 2 ARG CD C -0.552 6.129 -7.231 1.00 . A A . 2 ARG CD 1 1 16 6587 1 1 2 ARG CG C -0.196 7.302 -6.305 1.00 . A A . 2 ARG CG 1 1 16 6588 1 1 2 ARG CZ C 1.446 5.733 -8.544 1.00 . A A . 2 ARG CZ 1 1 16 6589 1 1 2 ARG H H -0.774 9.243 -3.470 1.00 . A A . 2 ARG H 1 1 16 6590 1 1 2 ARG HA H -2.226 8.775 -5.947 1.00 . A A . 2 ARG HA 1 1 16 6591 1 1 2 ARG HB2 H -0.402 7.258 -4.170 1.00 . A A . 2 ARG HB2 1 1 16 6592 1 1 2 ARG HB3 H -1.569 6.257 -4.982 1.00 . A A . 2 ARG HB3 1 1 16 6593 1 1 2 ARG HD2 H -0.317 5.194 -6.746 1.00 . A A . 2 ARG HD2 1 1 16 6594 1 1 2 ARG HD3 H -1.602 6.148 -7.483 1.00 . A A . 2 ARG HD3 1 1 16 6595 1 1 2 ARG HE H -0.125 6.714 -9.263 1.00 . A A . 2 ARG HE 1 1 16 6596 1 1 2 ARG HG2 H -0.356 8.238 -6.822 1.00 . A A . 2 ARG HG2 1 1 16 6597 1 1 2 ARG HG3 H 0.850 7.241 -6.038 1.00 . A A . 2 ARG HG3 1 1 16 6598 1 1 2 ARG HH11 H 0.766 3.924 -9.063 1.00 . A A . 2 ARG HH11 1 1 16 6599 1 1 2 ARG HH12 H 2.486 4.064 -8.915 1.00 . A A . 2 ARG HH12 1 1 16 6600 1 1 2 ARG HH21 H 2.331 7.453 -8.034 1.00 . A A . 2 ARG HH21 1 1 16 6601 1 1 2 ARG HH22 H 3.397 6.118 -8.318 1.00 . A A . 2 ARG HH22 1 1 16 6602 1 1 2 ARG N N -1.497 9.459 -4.095 1.00 . A A . 2 ARG N 1 1 16 6603 1 1 2 ARG NE N 0.248 6.250 -8.485 1.00 . A A . 2 ARG NE 1 1 16 6604 1 1 2 ARG NH1 N 1.577 4.475 -8.866 1.00 . A A . 2 ARG NH1 1 1 16 6605 1 1 2 ARG NH2 N 2.472 6.494 -8.278 1.00 . A A . 2 ARG NH2 1 1 16 6606 1 1 2 ARG O O -3.831 8.058 -3.351 1.00 . A A . 2 ARG O 1 1 16 6607 1 1 3 ILE C C -5.272 5.261 -4.214 1.00 . A A . 3 ILE C 1 1 16 6608 1 1 3 ILE CA C -5.415 6.540 -5.070 1.00 . A A . 3 ILE CA 1 1 16 6609 1 1 3 ILE CB C -6.109 6.199 -6.411 1.00 . A A . 3 ILE CB 1 1 16 6610 1 1 3 ILE CD1 C -5.802 4.482 -8.264 1.00 . A A . 3 ILE CD1 1 1 16 6611 1 1 3 ILE CG1 C -5.096 5.540 -7.404 1.00 . A A . 3 ILE CG1 1 1 16 6612 1 1 3 ILE CG2 C -6.683 7.489 -7.037 1.00 . A A . 3 ILE CG2 1 1 16 6613 1 1 3 ILE H H -3.697 6.995 -6.253 1.00 . A A . 3 ILE H 1 1 16 6614 1 1 3 ILE HA H -5.996 7.269 -4.526 1.00 . A A . 3 ILE HA 1 1 16 6615 1 1 3 ILE HB H -6.917 5.513 -6.218 1.00 . A A . 3 ILE HB 1 1 16 6616 1 1 3 ILE HD11 H -6.799 4.805 -8.522 1.00 . A A . 3 ILE HD11 1 1 16 6617 1 1 3 ILE HD12 H -5.243 4.323 -9.174 1.00 . A A . 3 ILE HD12 1 1 16 6618 1 1 3 ILE HD13 H -5.863 3.547 -7.726 1.00 . A A . 3 ILE HD13 1 1 16 6619 1 1 3 ILE HG12 H -4.655 6.289 -8.046 1.00 . A A . 3 ILE HG12 1 1 16 6620 1 1 3 ILE HG13 H -4.297 5.062 -6.858 1.00 . A A . 3 ILE HG13 1 1 16 6621 1 1 3 ILE HG21 H -5.903 8.226 -7.170 1.00 . A A . 3 ILE HG21 1 1 16 6622 1 1 3 ILE HG22 H -7.124 7.273 -8.000 1.00 . A A . 3 ILE HG22 1 1 16 6623 1 1 3 ILE HG23 H -7.447 7.903 -6.395 1.00 . A A . 3 ILE HG23 1 1 16 6624 1 1 3 ILE N N -4.080 7.139 -5.364 1.00 . A A . 3 ILE N 1 1 16 6625 1 1 3 ILE O O -4.209 4.672 -4.183 1.00 . A A . 3 ILE O 1 1 16 6626 1 1 4 HYP C C -6.277 2.407 -4.107 1.00 . A A . 4 HYP C 1 1 16 6627 1 1 4 HYP CA C -6.496 3.480 -3.024 1.00 . A A . 4 HYP CA 1 1 16 6628 1 1 4 HYP CB C -7.910 3.411 -2.435 1.00 . A A . 4 HYP CB 1 1 16 6629 1 1 4 HYP CD C -7.492 5.752 -3.221 1.00 . A A . 4 HYP CD 1 1 16 6630 1 1 4 HYP CG C -8.408 4.879 -2.340 1.00 . A A . 4 HYP CG 1 1 16 6631 1 1 4 HYP HA H -5.784 3.326 -2.230 1.00 . A A . 4 HYP HA 1 1 16 6632 1 1 4 HYP HB2 H -7.896 2.930 -1.468 1.00 . A A . 4 HYP HB2 1 1 16 6633 1 1 4 HYP HB3 H -8.567 2.853 -3.087 1.00 . A A . 4 HYP HB3 1 1 16 6634 1 1 4 HYP HD1 H -8.290 6.216 -0.925 1.00 . A A . 4 HYP HD1 1 1 16 6635 1 1 4 HYP HD22 H -7.142 6.631 -2.698 1.00 . A A . 4 HYP HD22 1 1 16 6636 1 1 4 HYP HD23 H -7.995 6.037 -4.134 1.00 . A A . 4 HYP HD23 1 1 16 6637 1 1 4 HYP HG H -9.460 5.000 -2.551 1.00 . A A . 4 HYP HG 1 1 16 6638 1 1 4 HYP N N -6.337 4.869 -3.545 1.00 . A A . 4 HYP N 1 1 16 6639 1 1 4 HYP O O -6.216 2.713 -5.281 1.00 . A A . 4 HYP O 1 1 16 6640 1 1 4 HYP OD1 O -8.119 5.276 -1.005 1.00 . A A . 4 HYP OD1 1 1 16 6641 1 1 5 ASN C C -4.721 -0.036 -5.422 1.00 . A A . 5 ASN C 1 1 16 6642 1 1 5 ASN CA C -5.951 -0.033 -4.491 1.00 . A A . 5 ASN CA 1 1 16 6643 1 1 5 ASN CB C -7.254 -0.277 -5.334 1.00 . A A . 5 ASN CB 1 1 16 6644 1 1 5 ASN CG C -7.284 0.511 -6.659 1.00 . A A . 5 ASN CG 1 1 16 6645 1 1 5 ASN H H -6.227 1.063 -2.671 1.00 . A A . 5 ASN H 1 1 16 6646 1 1 5 ASN HA H -5.846 -0.869 -3.816 1.00 . A A . 5 ASN HA 1 1 16 6647 1 1 5 ASN HB2 H -7.330 -1.329 -5.569 1.00 . A A . 5 ASN HB2 1 1 16 6648 1 1 5 ASN HB3 H -8.121 -0.001 -4.752 1.00 . A A . 5 ASN HB3 1 1 16 6649 1 1 5 ASN HD21 H -8.712 1.744 -6.041 1.00 . A A . 5 ASN HD21 1 1 16 6650 1 1 5 ASN HD22 H -8.150 2.017 -7.620 1.00 . A A . 5 ASN HD22 1 1 16 6651 1 1 5 ASN N N -6.167 1.187 -3.641 1.00 . A A . 5 ASN N 1 1 16 6652 1 1 5 ASN ND2 N -8.119 1.506 -6.783 1.00 . A A . 5 ASN ND2 1 1 16 6653 1 1 5 ASN O O -4.429 -1.060 -6.011 1.00 . A A . 5 ASN O 1 1 16 6654 1 1 5 ASN OD1 O -6.552 0.232 -7.589 1.00 . A A . 5 ASN OD1 1 1 16 6655 1 1 6 GLN C C -1.709 0.256 -5.847 1.00 . A A . 6 GLN C 1 1 16 6656 1 1 6 GLN CA C -2.830 1.119 -6.432 1.00 . A A . 6 GLN CA 1 1 16 6657 1 1 6 GLN CB C -2.348 2.576 -6.562 1.00 . A A . 6 GLN CB 1 1 16 6658 1 1 6 GLN CD C -2.401 3.286 -8.974 1.00 . A A . 6 GLN CD 1 1 16 6659 1 1 6 GLN CG C -1.516 2.719 -7.859 1.00 . A A . 6 GLN CG 1 1 16 6660 1 1 6 GLN H H -4.297 1.875 -5.052 1.00 . A A . 6 GLN H 1 1 16 6661 1 1 6 GLN HA H -3.110 0.729 -7.401 1.00 . A A . 6 GLN HA 1 1 16 6662 1 1 6 GLN HB2 H -3.202 3.236 -6.586 1.00 . A A . 6 GLN HB2 1 1 16 6663 1 1 6 GLN HB3 H -1.738 2.847 -5.712 1.00 . A A . 6 GLN HB3 1 1 16 6664 1 1 6 GLN HE21 H -3.471 1.622 -9.135 1.00 . A A . 6 GLN HE21 1 1 16 6665 1 1 6 GLN HE22 H -3.916 2.877 -10.189 1.00 . A A . 6 GLN HE22 1 1 16 6666 1 1 6 GLN HG2 H -0.684 3.384 -7.696 1.00 . A A . 6 GLN HG2 1 1 16 6667 1 1 6 GLN HG3 H -1.126 1.764 -8.181 1.00 . A A . 6 GLN HG3 1 1 16 6668 1 1 6 GLN N N -4.031 1.072 -5.542 1.00 . A A . 6 GLN N 1 1 16 6669 1 1 6 GLN NE2 N -3.341 2.532 -9.474 1.00 . A A . 6 GLN NE2 1 1 16 6670 1 1 6 GLN O O -1.326 0.443 -4.709 1.00 . A A . 6 GLN O 1 1 16 6671 1 1 6 GLN OE1 O -2.247 4.415 -9.399 1.00 . A A . 6 GLN OE1 1 1 16 6672 1 1 7 LYS C C 1.045 -0.811 -5.578 1.00 . A A . 7 LYS C 1 1 16 6673 1 1 7 LYS CA C -0.127 -1.577 -6.222 1.00 . A A . 7 LYS CA 1 1 16 6674 1 1 7 LYS CB C 0.339 -2.371 -7.469 1.00 . A A . 7 LYS CB 1 1 16 6675 1 1 7 LYS CD C 0.329 -4.710 -6.398 1.00 . A A . 7 LYS CD 1 1 16 6676 1 1 7 LYS CE C -0.464 -5.498 -7.457 1.00 . A A . 7 LYS CE 1 1 16 6677 1 1 7 LYS CG C 1.198 -3.599 -7.054 1.00 . A A . 7 LYS CG 1 1 16 6678 1 1 7 LYS H H -1.589 -0.737 -7.559 1.00 . A A . 7 LYS H 1 1 16 6679 1 1 7 LYS HA H -0.537 -2.257 -5.497 1.00 . A A . 7 LYS HA 1 1 16 6680 1 1 7 LYS HB2 H -0.528 -2.703 -8.022 1.00 . A A . 7 LYS HB2 1 1 16 6681 1 1 7 LYS HB3 H 0.919 -1.730 -8.116 1.00 . A A . 7 LYS HB3 1 1 16 6682 1 1 7 LYS HD2 H 0.975 -5.390 -5.861 1.00 . A A . 7 LYS HD2 1 1 16 6683 1 1 7 LYS HD3 H -0.361 -4.282 -5.689 1.00 . A A . 7 LYS HD3 1 1 16 6684 1 1 7 LYS HE2 H -0.677 -4.893 -8.326 1.00 . A A . 7 LYS HE2 1 1 16 6685 1 1 7 LYS HE3 H 0.095 -6.368 -7.765 1.00 . A A . 7 LYS HE3 1 1 16 6686 1 1 7 LYS HG2 H 1.693 -3.996 -7.929 1.00 . A A . 7 LYS HG2 1 1 16 6687 1 1 7 LYS HG3 H 1.960 -3.288 -6.353 1.00 . A A . 7 LYS HG3 1 1 16 6688 1 1 7 LYS HZ1 H -1.606 -6.260 -5.891 1.00 . A A . 7 LYS HZ1 1 1 16 6689 1 1 7 LYS HZ2 H -2.438 -5.162 -6.883 1.00 . A A . 7 LYS HZ2 1 1 16 6690 1 1 7 LYS HZ3 H -2.136 -6.741 -7.432 1.00 . A A . 7 LYS HZ3 1 1 16 6691 1 1 7 LYS N N -1.224 -0.656 -6.653 1.00 . A A . 7 LYS N 1 1 16 6692 1 1 7 LYS NZ N -1.760 -5.950 -6.872 1.00 . A A . 7 LYS NZ 1 1 16 6693 1 1 7 LYS O O 1.873 -0.227 -6.251 1.00 . A A . 7 LYS O 1 1 16 6694 1 1 8 CYS C C 2.450 -1.099 -2.277 1.00 . A A . 8 CYS C 1 1 16 6695 1 1 8 CYS CA C 2.091 -0.180 -3.442 1.00 . A A . 8 CYS CA 1 1 16 6696 1 1 8 CYS CB C 1.532 1.134 -2.921 1.00 . A A . 8 CYS CB 1 1 16 6697 1 1 8 CYS H H 0.336 -1.351 -3.812 1.00 . A A . 8 CYS H 1 1 16 6698 1 1 8 CYS HA H 2.975 -0.007 -4.042 1.00 . A A . 8 CYS HA 1 1 16 6699 1 1 8 CYS HB2 H 2.334 1.676 -2.449 1.00 . A A . 8 CYS HB2 1 1 16 6700 1 1 8 CYS HB3 H 1.203 1.718 -3.769 1.00 . A A . 8 CYS HB3 1 1 16 6701 1 1 8 CYS N N 1.047 -0.855 -4.269 1.00 . A A . 8 CYS N 1 1 16 6702 1 1 8 CYS O O 1.592 -1.755 -1.721 1.00 . A A . 8 CYS O 1 1 16 6703 1 1 8 CYS SG S 0.157 1.084 -1.746 1.00 . A A . 8 CYS SG 1 1 16 6704 1 1 9 PHE C C 4.079 -1.268 0.540 1.00 . A A . 9 PHE C 1 1 16 6705 1 1 9 PHE CA C 4.169 -1.983 -0.807 1.00 . A A . 9 PHE CA 1 1 16 6706 1 1 9 PHE CB C 5.621 -2.406 -1.094 1.00 . A A . 9 PHE CB 1 1 16 6707 1 1 9 PHE CD1 C 5.375 -4.320 -2.744 1.00 . A A . 9 PHE CD1 1 1 16 6708 1 1 9 PHE CD2 C 6.048 -2.196 -3.589 1.00 . A A . 9 PHE CD2 1 1 16 6709 1 1 9 PHE CE1 C 5.425 -4.844 -4.019 1.00 . A A . 9 PHE CE1 1 1 16 6710 1 1 9 PHE CE2 C 6.099 -2.718 -4.863 1.00 . A A . 9 PHE CE2 1 1 16 6711 1 1 9 PHE CG C 5.686 -2.992 -2.517 1.00 . A A . 9 PHE CG 1 1 16 6712 1 1 9 PHE CZ C 5.786 -4.043 -5.080 1.00 . A A . 9 PHE CZ 1 1 16 6713 1 1 9 PHE H H 4.353 -0.549 -2.408 1.00 . A A . 9 PHE H 1 1 16 6714 1 1 9 PHE HA H 3.548 -2.867 -0.769 1.00 . A A . 9 PHE HA 1 1 16 6715 1 1 9 PHE HB2 H 6.287 -1.557 -1.028 1.00 . A A . 9 PHE HB2 1 1 16 6716 1 1 9 PHE HB3 H 5.940 -3.158 -0.387 1.00 . A A . 9 PHE HB3 1 1 16 6717 1 1 9 PHE HD1 H 5.092 -4.956 -1.918 1.00 . A A . 9 PHE HD1 1 1 16 6718 1 1 9 PHE HD2 H 6.293 -1.157 -3.430 1.00 . A A . 9 PHE HD2 1 1 16 6719 1 1 9 PHE HE1 H 5.180 -5.883 -4.187 1.00 . A A . 9 PHE HE1 1 1 16 6720 1 1 9 PHE HE2 H 6.382 -2.088 -5.694 1.00 . A A . 9 PHE HE2 1 1 16 6721 1 1 9 PHE HZ H 5.825 -4.452 -6.079 1.00 . A A . 9 PHE HZ 1 1 16 6722 1 1 9 PHE N N 3.708 -1.112 -1.930 1.00 . A A . 9 PHE N 1 1 16 6723 1 1 9 PHE O O 4.018 -0.055 0.609 1.00 . A A . 9 PHE O 1 1 16 6724 1 1 10 GLN C C 5.105 -0.595 3.301 1.00 . A A . 10 GLN C 1 1 16 6725 1 1 10 GLN CA C 3.991 -1.609 2.979 1.00 . A A . 10 GLN CA 1 1 16 6726 1 1 10 GLN CB C 4.102 -2.830 3.944 1.00 . A A . 10 GLN CB 1 1 16 6727 1 1 10 GLN CD C 1.873 -3.778 3.140 1.00 . A A . 10 GLN CD 1 1 16 6728 1 1 10 GLN CG C 3.351 -4.090 3.421 1.00 . A A . 10 GLN CG 1 1 16 6729 1 1 10 GLN H H 4.119 -3.044 1.406 1.00 . A A . 10 GLN H 1 1 16 6730 1 1 10 GLN HA H 3.033 -1.135 3.101 1.00 . A A . 10 GLN HA 1 1 16 6731 1 1 10 GLN HB2 H 5.144 -3.082 4.085 1.00 . A A . 10 GLN HB2 1 1 16 6732 1 1 10 GLN HB3 H 3.695 -2.556 4.906 1.00 . A A . 10 GLN HB3 1 1 16 6733 1 1 10 GLN HE21 H 2.211 -3.182 1.275 1.00 . A A . 10 GLN HE21 1 1 16 6734 1 1 10 GLN HE22 H 0.594 -3.107 1.778 1.00 . A A . 10 GLN HE22 1 1 16 6735 1 1 10 GLN HG2 H 3.810 -4.473 2.521 1.00 . A A . 10 GLN HG2 1 1 16 6736 1 1 10 GLN HG3 H 3.399 -4.862 4.176 1.00 . A A . 10 GLN HG3 1 1 16 6737 1 1 10 GLN N N 4.073 -2.083 1.566 1.00 . A A . 10 GLN N 1 1 16 6738 1 1 10 GLN NE2 N 1.531 -3.318 1.967 1.00 . A A . 10 GLN NE2 1 1 16 6739 1 1 10 GLN O O 5.020 0.132 4.273 1.00 . A A . 10 GLN O 1 1 16 6740 1 1 10 GLN OE1 O 1.014 -3.950 3.983 1.00 . A A . 10 GLN OE1 1 1 16 6741 1 1 11 HIS C C 7.163 1.514 1.645 1.00 . A A . 11 HIS C 1 1 16 6742 1 1 11 HIS CA C 7.283 0.317 2.607 1.00 . A A . 11 HIS CA 1 1 16 6743 1 1 11 HIS CB C 8.551 -0.481 2.292 1.00 . A A . 11 HIS CB 1 1 16 6744 1 1 11 HIS CD2 C 10.374 -0.144 4.157 1.00 . A A . 11 HIS CD2 1 1 16 6745 1 1 11 HIS CE1 C 11.349 1.501 3.356 1.00 . A A . 11 HIS CE1 1 1 16 6746 1 1 11 HIS CG C 9.746 0.181 2.973 1.00 . A A . 11 HIS CG 1 1 16 6747 1 1 11 HIS H H 6.105 -1.220 1.711 1.00 . A A . 11 HIS H 1 1 16 6748 1 1 11 HIS HA H 7.321 0.687 3.621 1.00 . A A . 11 HIS HA 1 1 16 6749 1 1 11 HIS HB2 H 8.460 -1.490 2.665 1.00 . A A . 11 HIS HB2 1 1 16 6750 1 1 11 HIS HB3 H 8.732 -0.520 1.228 1.00 . A A . 11 HIS HB3 1 1 16 6751 1 1 11 HIS HD1 H 10.199 1.684 1.697 1.00 . A A . 11 HIS HD1 1 1 16 6752 1 1 11 HIS HD2 H 10.079 -0.965 4.794 1.00 . A A . 11 HIS HD2 1 1 16 6753 1 1 11 HIS HE1 H 12.041 2.319 3.216 1.00 . A A . 11 HIS HE1 1 1 16 6754 1 1 11 HIS N N 6.112 -0.595 2.464 1.00 . A A . 11 HIS N 1 1 16 6755 1 1 11 HIS ND1 N 10.397 1.206 2.530 1.00 . A A . 11 HIS ND1 1 1 16 6756 1 1 11 HIS NE2 N 11.373 0.687 4.384 1.00 . A A . 11 HIS NE2 1 1 16 6757 1 1 11 HIS O O 7.484 2.631 2.002 1.00 . A A . 11 HIS O 1 1 16 6758 1 1 12 LEU C C 5.082 2.782 -0.660 1.00 . A A . 12 LEU C 1 1 16 6759 1 1 12 LEU CA C 6.528 2.274 -0.606 1.00 . A A . 12 LEU CA 1 1 16 6760 1 1 12 LEU CB C 6.950 1.650 -1.959 1.00 . A A . 12 LEU CB 1 1 16 6761 1 1 12 LEU CD1 C 8.775 0.261 -3.022 1.00 . A A . 12 LEU CD1 1 1 16 6762 1 1 12 LEU CD2 C 9.283 2.604 -2.252 1.00 . A A . 12 LEU CD2 1 1 16 6763 1 1 12 LEU CG C 8.471 1.324 -1.946 1.00 . A A . 12 LEU CG 1 1 16 6764 1 1 12 LEU H H 6.458 0.301 0.249 1.00 . A A . 12 LEU H 1 1 16 6765 1 1 12 LEU HA H 7.172 3.113 -0.384 1.00 . A A . 12 LEU HA 1 1 16 6766 1 1 12 LEU HB2 H 6.380 0.746 -2.121 1.00 . A A . 12 LEU HB2 1 1 16 6767 1 1 12 LEU HB3 H 6.732 2.338 -2.763 1.00 . A A . 12 LEU HB3 1 1 16 6768 1 1 12 LEU HD11 H 8.286 0.511 -3.952 1.00 . A A . 12 LEU HD11 1 1 16 6769 1 1 12 LEU HD12 H 9.839 0.195 -3.197 1.00 . A A . 12 LEU HD12 1 1 16 6770 1 1 12 LEU HD13 H 8.423 -0.704 -2.691 1.00 . A A . 12 LEU HD13 1 1 16 6771 1 1 12 LEU HD21 H 8.972 3.034 -3.193 1.00 . A A . 12 LEU HD21 1 1 16 6772 1 1 12 LEU HD22 H 9.137 3.334 -1.470 1.00 . A A . 12 LEU HD22 1 1 16 6773 1 1 12 LEU HD23 H 10.336 2.369 -2.309 1.00 . A A . 12 LEU HD23 1 1 16 6774 1 1 12 LEU HG H 8.762 0.938 -0.981 1.00 . A A . 12 LEU HG 1 1 16 6775 1 1 12 LEU N N 6.701 1.227 0.452 1.00 . A A . 12 LEU N 1 1 16 6776 1 1 12 LEU O O 4.374 2.597 -1.631 1.00 . A A . 12 LEU O 1 1 16 6777 1 1 13 ASP C C 3.204 5.349 -0.157 1.00 . A A . 13 ASP C 1 1 16 6778 1 1 13 ASP CA C 3.315 3.979 0.530 1.00 . A A . 13 ASP CA 1 1 16 6779 1 1 13 ASP CB C 2.972 4.086 2.026 1.00 . A A . 13 ASP CB 1 1 16 6780 1 1 13 ASP CG C 2.750 2.671 2.588 1.00 . A A . 13 ASP CG 1 1 16 6781 1 1 13 ASP H H 5.329 3.519 1.155 1.00 . A A . 13 ASP H 1 1 16 6782 1 1 13 ASP HA H 2.620 3.302 0.054 1.00 . A A . 13 ASP HA 1 1 16 6783 1 1 13 ASP HB2 H 3.782 4.555 2.568 1.00 . A A . 13 ASP HB2 1 1 16 6784 1 1 13 ASP HB3 H 2.078 4.676 2.157 1.00 . A A . 13 ASP HB3 1 1 16 6785 1 1 13 ASP N N 4.697 3.416 0.414 1.00 . A A . 13 ASP N 1 1 16 6786 1 1 13 ASP O O 3.454 6.382 0.434 1.00 . A A . 13 ASP O 1 1 16 6787 1 1 13 ASP OD1 O 3.728 1.945 2.625 1.00 . A A . 13 ASP OD1 1 1 16 6788 1 1 13 ASP OD2 O 1.619 2.391 2.949 1.00 . A A . 13 ASP OD2 1 1 16 6789 1 1 14 ASP C C 1.215 7.053 -2.138 1.00 . A A . 14 ASP C 1 1 16 6790 1 1 14 ASP CA C 2.653 6.513 -2.252 1.00 . A A . 14 ASP CA 1 1 16 6791 1 1 14 ASP CB C 2.965 6.131 -3.708 1.00 . A A . 14 ASP CB 1 1 16 6792 1 1 14 ASP CG C 2.243 4.816 -4.084 1.00 . A A . 14 ASP CG 1 1 16 6793 1 1 14 ASP H H 2.643 4.425 -1.820 1.00 . A A . 14 ASP H 1 1 16 6794 1 1 14 ASP HA H 3.340 7.278 -1.921 1.00 . A A . 14 ASP HA 1 1 16 6795 1 1 14 ASP HB2 H 2.628 6.913 -4.365 1.00 . A A . 14 ASP HB2 1 1 16 6796 1 1 14 ASP HB3 H 4.030 6.006 -3.840 1.00 . A A . 14 ASP HB3 1 1 16 6797 1 1 14 ASP N N 2.824 5.293 -1.407 1.00 . A A . 14 ASP N 1 1 16 6798 1 1 14 ASP O O 0.943 8.188 -2.478 1.00 . A A . 14 ASP O 1 1 16 6799 1 1 14 ASP OD1 O 1.068 4.902 -4.408 1.00 . A A . 14 ASP OD1 1 1 16 6800 1 1 14 ASP OD2 O 2.911 3.797 -4.023 1.00 . A A . 14 ASP OD2 1 1 16 6801 1 1 15 CYS C C -1.390 7.797 -0.713 1.00 . A A . 15 CYS C 1 1 16 6802 1 1 15 CYS CA C -1.097 6.487 -1.455 1.00 . A A . 15 CYS CA 1 1 16 6803 1 1 15 CYS CB C -1.677 5.306 -0.695 1.00 . A A . 15 CYS CB 1 1 16 6804 1 1 15 CYS H H 0.666 5.303 -1.395 1.00 . A A . 15 CYS H 1 1 16 6805 1 1 15 CYS HA H -1.565 6.534 -2.427 1.00 . A A . 15 CYS HA 1 1 16 6806 1 1 15 CYS HB2 H -1.471 5.482 0.348 1.00 . A A . 15 CYS HB2 1 1 16 6807 1 1 15 CYS HB3 H -2.747 5.253 -0.825 1.00 . A A . 15 CYS HB3 1 1 16 6808 1 1 15 CYS N N 0.353 6.195 -1.653 1.00 . A A . 15 CYS N 1 1 16 6809 1 1 15 CYS O O -0.539 8.338 -0.033 1.00 . A A . 15 CYS O 1 1 16 6810 1 1 15 CYS SG S -0.956 3.687 -1.056 1.00 . A A . 15 CYS SG 1 1 16 6811 1 1 16 CYS C C -3.132 9.239 1.291 1.00 . A A . 16 CYS C 1 1 16 6812 1 1 16 CYS CA C -3.042 9.522 -0.211 1.00 . A A . 16 CYS CA 1 1 16 6813 1 1 16 CYS CB C -4.422 9.944 -0.760 1.00 . A A . 16 CYS CB 1 1 16 6814 1 1 16 CYS H H -3.233 7.763 -1.441 1.00 . A A . 16 CYS H 1 1 16 6815 1 1 16 CYS HA H -2.299 10.285 -0.382 1.00 . A A . 16 CYS HA 1 1 16 6816 1 1 16 CYS HB2 H -4.522 9.590 -1.774 1.00 . A A . 16 CYS HB2 1 1 16 6817 1 1 16 CYS HB3 H -5.200 9.471 -0.178 1.00 . A A . 16 CYS HB3 1 1 16 6818 1 1 16 CYS N N -2.605 8.257 -0.876 1.00 . A A . 16 CYS N 1 1 16 6819 1 1 16 CYS O O -2.827 10.081 2.113 1.00 . A A . 16 CYS O 1 1 16 6820 1 1 16 CYS SG S -4.767 11.718 -0.797 1.00 . A A . 16 CYS SG 1 1 16 6821 1 1 17 SER C C -2.346 7.067 3.495 1.00 . A A . 17 SER C 1 1 16 6822 1 1 17 SER CA C -3.710 7.560 2.979 1.00 . A A . 17 SER CA 1 1 16 6823 1 1 17 SER CB C -4.731 6.423 2.976 1.00 . A A . 17 SER CB 1 1 16 6824 1 1 17 SER H H -3.791 7.411 0.865 1.00 . A A . 17 SER H 1 1 16 6825 1 1 17 SER HA H -4.055 8.373 3.601 1.00 . A A . 17 SER HA 1 1 16 6826 1 1 17 SER HB2 H -4.918 6.071 3.972 1.00 . A A . 17 SER HB2 1 1 16 6827 1 1 17 SER HB3 H -5.656 6.713 2.500 1.00 . A A . 17 SER HB3 1 1 16 6828 1 1 17 SER HG H -4.093 5.662 1.301 1.00 . A A . 17 SER HG 1 1 16 6829 1 1 17 SER N N -3.558 8.036 1.580 1.00 . A A . 17 SER N 1 1 16 6830 1 1 17 SER O O -2.196 6.797 4.671 1.00 . A A . 17 SER O 1 1 16 6831 1 1 17 SER OG O -4.115 5.387 2.221 1.00 . A A . 17 SER OG 1 1 16 6832 1 1 18 ARG C C -0.109 5.129 3.588 1.00 . A A . 18 ARG C 1 1 16 6833 1 1 18 ARG CA C -0.015 6.501 2.897 1.00 . A A . 18 ARG CA 1 1 16 6834 1 1 18 ARG CB C 0.685 7.535 3.828 1.00 . A A . 18 ARG CB 1 1 16 6835 1 1 18 ARG CD C -0.122 9.928 3.862 1.00 . A A . 18 ARG CD 1 1 16 6836 1 1 18 ARG CG C 0.773 8.918 3.129 1.00 . A A . 18 ARG CG 1 1 16 6837 1 1 18 ARG CZ C -1.029 12.110 3.281 1.00 . A A . 18 ARG CZ 1 1 16 6838 1 1 18 ARG H H -1.614 7.212 1.656 1.00 . A A . 18 ARG H 1 1 16 6839 1 1 18 ARG HA H 0.530 6.388 1.972 1.00 . A A . 18 ARG HA 1 1 16 6840 1 1 18 ARG HB2 H 0.155 7.610 4.765 1.00 . A A . 18 ARG HB2 1 1 16 6841 1 1 18 ARG HB3 H 1.688 7.194 4.038 1.00 . A A . 18 ARG HB3 1 1 16 6842 1 1 18 ARG HD2 H -1.138 9.567 3.924 1.00 . A A . 18 ARG HD2 1 1 16 6843 1 1 18 ARG HD3 H 0.252 10.112 4.859 1.00 . A A . 18 ARG HD3 1 1 16 6844 1 1 18 ARG HE H 0.619 11.379 2.449 1.00 . A A . 18 ARG HE 1 1 16 6845 1 1 18 ARG HG2 H 1.794 9.269 3.154 1.00 . A A . 18 ARG HG2 1 1 16 6846 1 1 18 ARG HG3 H 0.469 8.847 2.097 1.00 . A A . 18 ARG HG3 1 1 16 6847 1 1 18 ARG HH11 H -0.954 11.964 5.276 1.00 . A A . 18 ARG HH11 1 1 16 6848 1 1 18 ARG HH12 H -2.101 13.103 4.650 1.00 . A A . 18 ARG HH12 1 1 16 6849 1 1 18 ARG HH21 H -1.269 12.416 1.318 1.00 . A A . 18 ARG HH21 1 1 16 6850 1 1 18 ARG HH22 H -2.282 13.364 2.356 1.00 . A A . 18 ARG HH22 1 1 16 6851 1 1 18 ARG N N -1.404 6.969 2.582 1.00 . A A . 18 ARG N 1 1 16 6852 1 1 18 ARG NE N -0.098 11.210 3.095 1.00 . A A . 18 ARG NE 1 1 16 6853 1 1 18 ARG NH1 N -1.389 12.417 4.498 1.00 . A A . 18 ARG NH1 1 1 16 6854 1 1 18 ARG NH2 N -1.569 12.673 2.236 1.00 . A A . 18 ARG NH2 1 1 16 6855 1 1 18 ARG O O 0.701 4.779 4.425 1.00 . A A . 18 ARG O 1 1 16 6856 1 1 19 LYS C C -1.595 2.047 2.597 1.00 . A A . 19 LYS C 1 1 16 6857 1 1 19 LYS CA C -1.393 3.046 3.739 1.00 . A A . 19 LYS CA 1 1 16 6858 1 1 19 LYS CB C -2.650 3.138 4.609 1.00 . A A . 19 LYS CB 1 1 16 6859 1 1 19 LYS CD C -3.541 3.688 6.897 1.00 . A A . 19 LYS CD 1 1 16 6860 1 1 19 LYS CE C -3.166 4.226 8.291 1.00 . A A . 19 LYS CE 1 1 16 6861 1 1 19 LYS CG C -2.259 3.469 6.063 1.00 . A A . 19 LYS CG 1 1 16 6862 1 1 19 LYS H H -1.739 4.743 2.510 1.00 . A A . 19 LYS H 1 1 16 6863 1 1 19 LYS HA H -0.551 2.722 4.334 1.00 . A A . 19 LYS HA 1 1 16 6864 1 1 19 LYS HB2 H -3.296 3.914 4.226 1.00 . A A . 19 LYS HB2 1 1 16 6865 1 1 19 LYS HB3 H -3.186 2.207 4.559 1.00 . A A . 19 LYS HB3 1 1 16 6866 1 1 19 LYS HD2 H -4.186 4.400 6.401 1.00 . A A . 19 LYS HD2 1 1 16 6867 1 1 19 LYS HD3 H -4.074 2.754 7.001 1.00 . A A . 19 LYS HD3 1 1 16 6868 1 1 19 LYS HE2 H -2.583 5.133 8.202 1.00 . A A . 19 LYS HE2 1 1 16 6869 1 1 19 LYS HE3 H -4.061 4.440 8.856 1.00 . A A . 19 LYS HE3 1 1 16 6870 1 1 19 LYS HG2 H -1.688 2.653 6.481 1.00 . A A . 19 LYS HG2 1 1 16 6871 1 1 19 LYS HG3 H -1.652 4.364 6.083 1.00 . A A . 19 LYS HG3 1 1 16 6872 1 1 19 LYS HZ1 H -2.752 2.265 8.859 1.00 . A A . 19 LYS HZ1 1 1 16 6873 1 1 19 LYS HZ2 H -1.376 3.248 8.714 1.00 . A A . 19 LYS HZ2 1 1 16 6874 1 1 19 LYS HZ3 H -2.404 3.420 10.054 1.00 . A A . 19 LYS HZ3 1 1 16 6875 1 1 19 LYS N N -1.124 4.400 3.190 1.00 . A A . 19 LYS N 1 1 16 6876 1 1 19 LYS NZ N -2.364 3.214 9.036 1.00 . A A . 19 LYS NZ 1 1 16 6877 1 1 19 LYS O O -2.415 2.264 1.724 1.00 . A A . 19 LYS O 1 1 16 6878 1 1 20 CYS C C -1.291 -1.365 2.384 1.00 . A A . 20 CYS C 1 1 16 6879 1 1 20 CYS CA C -0.884 -0.089 1.637 1.00 . A A . 20 CYS CA 1 1 16 6880 1 1 20 CYS CB C 0.502 -0.178 1.018 1.00 . A A . 20 CYS CB 1 1 16 6881 1 1 20 CYS H H -0.177 0.879 3.370 1.00 . A A . 20 CYS H 1 1 16 6882 1 1 20 CYS HA H -1.625 0.153 0.891 1.00 . A A . 20 CYS HA 1 1 16 6883 1 1 20 CYS HB2 H 1.230 -0.330 1.803 1.00 . A A . 20 CYS HB2 1 1 16 6884 1 1 20 CYS HB3 H 0.521 -1.039 0.385 1.00 . A A . 20 CYS HB3 1 1 16 6885 1 1 20 CYS N N -0.828 0.989 2.651 1.00 . A A . 20 CYS N 1 1 16 6886 1 1 20 CYS O O -0.594 -1.802 3.280 1.00 . A A . 20 CYS O 1 1 16 6887 1 1 20 CYS SG S 1.003 1.285 0.077 1.00 . A A . 20 CYS SG 1 1 16 6888 1 1 21 ASN C C -2.069 -4.406 2.338 1.00 . A A . 21 ASN C 1 1 16 6889 1 1 21 ASN CA C -2.926 -3.168 2.644 1.00 . A A . 21 ASN CA 1 1 16 6890 1 1 21 ASN CB C -4.394 -3.407 2.175 1.00 . A A . 21 ASN CB 1 1 16 6891 1 1 21 ASN CG C -4.533 -3.206 0.660 1.00 . A A . 21 ASN CG 1 1 16 6892 1 1 21 ASN H H -2.917 -1.513 1.259 1.00 . A A . 21 ASN H 1 1 16 6893 1 1 21 ASN HA H -2.926 -3.016 3.713 1.00 . A A . 21 ASN HA 1 1 16 6894 1 1 21 ASN HB2 H -4.713 -4.411 2.416 1.00 . A A . 21 ASN HB2 1 1 16 6895 1 1 21 ASN HB3 H -5.051 -2.713 2.678 1.00 . A A . 21 ASN HB3 1 1 16 6896 1 1 21 ASN HD21 H -2.800 -4.075 0.268 1.00 . A A . 21 ASN HD21 1 1 16 6897 1 1 21 ASN HD22 H -3.654 -3.521 -1.083 1.00 . A A . 21 ASN HD22 1 1 16 6898 1 1 21 ASN N N -2.410 -1.921 1.993 1.00 . A A . 21 ASN N 1 1 16 6899 1 1 21 ASN ND2 N -3.583 -3.637 -0.118 1.00 . A A . 21 ASN ND2 1 1 16 6900 1 1 21 ASN O O -1.114 -4.348 1.587 1.00 . A A . 21 ASN O 1 1 16 6901 1 1 21 ASN OD1 O -5.501 -2.660 0.171 1.00 . A A . 21 ASN OD1 1 1 16 6902 1 1 22 ARG C C -1.664 -7.294 1.345 1.00 . A A . 22 ARG C 1 1 16 6903 1 1 22 ARG CA C -1.782 -6.806 2.798 1.00 . A A . 22 ARG CA 1 1 16 6904 1 1 22 ARG CB C -2.559 -7.833 3.645 1.00 . A A . 22 ARG CB 1 1 16 6905 1 1 22 ARG CD C -4.830 -8.856 4.047 1.00 . A A . 22 ARG CD 1 1 16 6906 1 1 22 ARG CG C -3.968 -8.082 3.040 1.00 . A A . 22 ARG CG 1 1 16 6907 1 1 22 ARG CZ C -5.489 -8.382 6.326 1.00 . A A . 22 ARG CZ 1 1 16 6908 1 1 22 ARG H H -3.245 -5.457 3.533 1.00 . A A . 22 ARG H 1 1 16 6909 1 1 22 ARG HA H -0.793 -6.689 3.207 1.00 . A A . 22 ARG HA 1 1 16 6910 1 1 22 ARG HB2 H -2.010 -8.760 3.678 1.00 . A A . 22 ARG HB2 1 1 16 6911 1 1 22 ARG HB3 H -2.652 -7.460 4.654 1.00 . A A . 22 ARG HB3 1 1 16 6912 1 1 22 ARG HD2 H -5.720 -9.236 3.567 1.00 . A A . 22 ARG HD2 1 1 16 6913 1 1 22 ARG HD3 H -4.276 -9.681 4.471 1.00 . A A . 22 ARG HD3 1 1 16 6914 1 1 22 ARG HE H -5.311 -6.957 4.952 1.00 . A A . 22 ARG HE 1 1 16 6915 1 1 22 ARG HG2 H -4.449 -7.144 2.803 1.00 . A A . 22 ARG HG2 1 1 16 6916 1 1 22 ARG HG3 H -3.879 -8.660 2.132 1.00 . A A . 22 ARG HG3 1 1 16 6917 1 1 22 ARG HH11 H -7.391 -8.810 5.877 1.00 . A A . 22 ARG HH11 1 1 16 6918 1 1 22 ARG HH12 H -6.900 -9.190 7.494 1.00 . A A . 22 ARG HH12 1 1 16 6919 1 1 22 ARG HH21 H -3.631 -8.032 6.980 1.00 . A A . 22 ARG HH21 1 1 16 6920 1 1 22 ARG HH22 H -4.712 -8.737 8.136 1.00 . A A . 22 ARG HH22 1 1 16 6921 1 1 22 ARG N N -2.467 -5.493 2.948 1.00 . A A . 22 ARG N 1 1 16 6922 1 1 22 ARG NE N -5.236 -7.916 5.133 1.00 . A A . 22 ARG NE 1 1 16 6923 1 1 22 ARG NH1 N -6.686 -8.829 6.586 1.00 . A A . 22 ARG NH1 1 1 16 6924 1 1 22 ARG NH2 N -4.537 -8.384 7.217 1.00 . A A . 22 ARG NH2 1 1 16 6925 1 1 22 ARG O O -0.845 -8.144 1.052 1.00 . A A . 22 ARG O 1 1 16 6926 1 1 23 PHE C C -1.465 -6.262 -1.737 1.00 . A A . 23 PHE C 1 1 16 6927 1 1 23 PHE CA C -2.460 -7.134 -0.959 1.00 . A A . 23 PHE CA 1 1 16 6928 1 1 23 PHE CB C -3.882 -6.962 -1.492 1.00 . A A . 23 PHE CB 1 1 16 6929 1 1 23 PHE CD1 C -4.779 -9.299 -1.111 1.00 . A A . 23 PHE CD1 1 1 16 6930 1 1 23 PHE CD2 C -5.705 -7.524 0.181 1.00 . A A . 23 PHE CD2 1 1 16 6931 1 1 23 PHE CE1 C -5.614 -10.196 -0.481 1.00 . A A . 23 PHE CE1 1 1 16 6932 1 1 23 PHE CE2 C -6.541 -8.422 0.813 1.00 . A A . 23 PHE CE2 1 1 16 6933 1 1 23 PHE CG C -4.817 -7.955 -0.786 1.00 . A A . 23 PHE CG 1 1 16 6934 1 1 23 PHE CZ C -6.497 -9.759 0.483 1.00 . A A . 23 PHE CZ 1 1 16 6935 1 1 23 PHE H H -3.119 -6.057 0.758 1.00 . A A . 23 PHE H 1 1 16 6936 1 1 23 PHE HA H -2.156 -8.167 -1.046 1.00 . A A . 23 PHE HA 1 1 16 6937 1 1 23 PHE HB2 H -4.234 -5.955 -1.320 1.00 . A A . 23 PHE HB2 1 1 16 6938 1 1 23 PHE HB3 H -3.901 -7.161 -2.546 1.00 . A A . 23 PHE HB3 1 1 16 6939 1 1 23 PHE HD1 H -4.092 -9.653 -1.865 1.00 . A A . 23 PHE HD1 1 1 16 6940 1 1 23 PHE HD2 H -5.749 -6.478 0.449 1.00 . A A . 23 PHE HD2 1 1 16 6941 1 1 23 PHE HE1 H -5.575 -11.242 -0.743 1.00 . A A . 23 PHE HE1 1 1 16 6942 1 1 23 PHE HE2 H -7.232 -8.076 1.568 1.00 . A A . 23 PHE HE2 1 1 16 6943 1 1 23 PHE HZ H -7.151 -10.464 0.975 1.00 . A A . 23 PHE HZ 1 1 16 6944 1 1 23 PHE N N -2.478 -6.741 0.480 1.00 . A A . 23 PHE N 1 1 16 6945 1 1 23 PHE O O -1.502 -6.204 -2.952 1.00 . A A . 23 PHE O 1 1 16 6946 1 1 24 ASN C C -0.168 -3.721 -2.544 1.00 . A A . 24 ASN C 1 1 16 6947 1 1 24 ASN CA C 0.446 -4.714 -1.558 1.00 . A A . 24 ASN CA 1 1 16 6948 1 1 24 ASN CB C 1.526 -5.577 -2.254 1.00 . A A . 24 ASN CB 1 1 16 6949 1 1 24 ASN CG C 2.175 -6.492 -1.206 1.00 . A A . 24 ASN CG 1 1 16 6950 1 1 24 ASN H H -0.645 -5.721 -0.019 1.00 . A A . 24 ASN H 1 1 16 6951 1 1 24 ASN HA H 0.881 -4.152 -0.745 1.00 . A A . 24 ASN HA 1 1 16 6952 1 1 24 ASN HB2 H 1.094 -6.181 -3.039 1.00 . A A . 24 ASN HB2 1 1 16 6953 1 1 24 ASN HB3 H 2.287 -4.937 -2.678 1.00 . A A . 24 ASN HB3 1 1 16 6954 1 1 24 ASN HD21 H 0.599 -7.692 -1.089 1.00 . A A . 24 ASN HD21 1 1 16 6955 1 1 24 ASN HD22 H 1.903 -8.110 -0.088 1.00 . A A . 24 ASN HD22 1 1 16 6956 1 1 24 ASN N N -0.603 -5.614 -0.990 1.00 . A A . 24 ASN N 1 1 16 6957 1 1 24 ASN ND2 N 1.503 -7.516 -0.758 1.00 . A A . 24 ASN ND2 1 1 16 6958 1 1 24 ASN O O 0.399 -3.407 -3.573 1.00 . A A . 24 ASN O 1 1 16 6959 1 1 24 ASN OD1 O 3.295 -6.281 -0.786 1.00 . A A . 24 ASN OD1 1 1 16 6960 1 1 25 LYS C C -2.449 -1.142 -1.997 1.00 . A A . 25 LYS C 1 1 16 6961 1 1 25 LYS CA C -2.118 -2.287 -2.955 1.00 . A A . 25 LYS CA 1 1 16 6962 1 1 25 LYS CB C -3.382 -2.986 -3.465 1.00 . A A . 25 LYS CB 1 1 16 6963 1 1 25 LYS CD C -4.397 -4.223 -5.418 1.00 . A A . 25 LYS CD 1 1 16 6964 1 1 25 LYS CE C -4.686 -5.572 -4.735 1.00 . A A . 25 LYS CE 1 1 16 6965 1 1 25 LYS CG C -3.100 -3.615 -4.845 1.00 . A A . 25 LYS CG 1 1 16 6966 1 1 25 LYS H H -1.713 -3.588 -1.315 1.00 . A A . 25 LYS H 1 1 16 6967 1 1 25 LYS HA H -1.519 -1.895 -3.760 1.00 . A A . 25 LYS HA 1 1 16 6968 1 1 25 LYS HB2 H -3.667 -3.777 -2.789 1.00 . A A . 25 LYS HB2 1 1 16 6969 1 1 25 LYS HB3 H -4.189 -2.279 -3.513 1.00 . A A . 25 LYS HB3 1 1 16 6970 1 1 25 LYS HD2 H -5.227 -3.551 -5.256 1.00 . A A . 25 LYS HD2 1 1 16 6971 1 1 25 LYS HD3 H -4.285 -4.373 -6.482 1.00 . A A . 25 LYS HD3 1 1 16 6972 1 1 25 LYS HE2 H -3.803 -6.194 -4.728 1.00 . A A . 25 LYS HE2 1 1 16 6973 1 1 25 LYS HE3 H -5.016 -5.414 -3.719 1.00 . A A . 25 LYS HE3 1 1 16 6974 1 1 25 LYS HG2 H -2.731 -2.862 -5.526 1.00 . A A . 25 LYS HG2 1 1 16 6975 1 1 25 LYS HG3 H -2.346 -4.381 -4.744 1.00 . A A . 25 LYS HG3 1 1 16 6976 1 1 25 LYS HZ1 H -5.461 -6.450 -6.454 1.00 . A A . 25 LYS HZ1 1 1 16 6977 1 1 25 LYS HZ2 H -5.946 -7.203 -5.011 1.00 . A A . 25 LYS HZ2 1 1 16 6978 1 1 25 LYS HZ3 H -6.629 -5.715 -5.463 1.00 . A A . 25 LYS HZ3 1 1 16 6979 1 1 25 LYS N N -1.331 -3.270 -2.161 1.00 . A A . 25 LYS N 1 1 16 6980 1 1 25 LYS NZ N -5.762 -6.289 -5.471 1.00 . A A . 25 LYS NZ 1 1 16 6981 1 1 25 LYS O O -2.328 -1.306 -0.799 1.00 . A A . 25 LYS O 1 1 16 6982 1 1 26 CYS C C -4.505 0.933 -0.884 1.00 . A A . 26 CYS C 1 1 16 6983 1 1 26 CYS CA C -3.183 1.125 -1.624 1.00 . A A . 26 CYS CA 1 1 16 6984 1 1 26 CYS CB C -3.234 2.406 -2.457 1.00 . A A . 26 CYS CB 1 1 16 6985 1 1 26 CYS H H -2.958 0.090 -3.490 1.00 . A A . 26 CYS H 1 1 16 6986 1 1 26 CYS HA H -2.400 1.217 -0.888 1.00 . A A . 26 CYS HA 1 1 16 6987 1 1 26 CYS HB2 H -3.766 2.208 -3.368 1.00 . A A . 26 CYS HB2 1 1 16 6988 1 1 26 CYS HB3 H -3.790 3.147 -1.912 1.00 . A A . 26 CYS HB3 1 1 16 6989 1 1 26 CYS N N -2.858 -0.016 -2.522 1.00 . A A . 26 CYS N 1 1 16 6990 1 1 26 CYS O O -5.249 0.002 -1.129 1.00 . A A . 26 CYS O 1 1 16 6991 1 1 26 CYS SG S -1.658 3.181 -2.879 1.00 . A A . 26 CYS SG 1 1 16 6992 1 1 27 VAL C C -6.580 3.288 0.827 1.00 . A A . 27 VAL C 1 1 16 6993 1 1 27 VAL CA C -5.949 1.875 0.861 1.00 . A A . 27 VAL CA 1 1 16 6994 1 1 27 VAL CB C -5.521 1.470 2.299 1.00 . A A . 27 VAL CB 1 1 16 6995 1 1 27 VAL CG1 C -6.760 1.264 3.195 1.00 . A A . 27 VAL CG1 1 1 16 6996 1 1 27 VAL CG2 C -4.733 0.134 2.253 1.00 . A A . 27 VAL CG2 1 1 16 6997 1 1 27 VAL H H -4.056 2.563 0.130 1.00 . A A . 27 VAL H 1 1 16 6998 1 1 27 VAL HA H -6.668 1.168 0.469 1.00 . A A . 27 VAL HA 1 1 16 6999 1 1 27 VAL HB H -4.886 2.245 2.706 1.00 . A A . 27 VAL HB 1 1 16 7000 1 1 27 VAL HG11 H -7.502 0.680 2.671 1.00 . A A . 27 VAL HG11 1 1 16 7001 1 1 27 VAL HG12 H -6.484 0.739 4.098 1.00 . A A . 27 VAL HG12 1 1 16 7002 1 1 27 VAL HG13 H -7.187 2.217 3.466 1.00 . A A . 27 VAL HG13 1 1 16 7003 1 1 27 VAL HG21 H -5.332 -0.635 1.789 1.00 . A A . 27 VAL HG21 1 1 16 7004 1 1 27 VAL HG22 H -3.823 0.243 1.684 1.00 . A A . 27 VAL HG22 1 1 16 7005 1 1 27 VAL HG23 H -4.471 -0.186 3.250 1.00 . A A . 27 VAL HG23 1 1 16 7006 1 1 27 VAL N N -4.724 1.856 0.011 1.00 . A A . 27 VAL N 1 1 16 7007 1 1 27 VAL O O -7.749 3.368 1.168 1.00 . A A . 27 VAL O 1 1 16 7008 1 1 27 VAL OXT O -5.870 4.213 0.461 1.00 . A A . 27 VAL OXT 1 1 17 7009 1 1 1 CYS C C -1.557 10.018 -4.471 1.00 . A A . 1 CYS C 1 1 17 7010 1 1 1 CYS CA C -0.903 11.193 -3.716 1.00 . A A . 1 CYS CA 1 1 17 7011 1 1 1 CYS CB C -1.939 12.053 -2.919 1.00 . A A . 1 CYS CB 1 1 17 7012 1 1 1 CYS H1 H -1.017 12.372 -5.427 1.00 . A A . 1 CYS H1 1 1 17 7013 1 1 1 CYS H2 H 0.157 12.883 -4.311 1.00 . A A . 1 CYS H2 1 1 17 7014 1 1 1 CYS H3 H 0.439 11.513 -5.273 1.00 . A A . 1 CYS H3 1 1 17 7015 1 1 1 CYS HA H -0.127 10.817 -3.064 1.00 . A A . 1 CYS HA 1 1 17 7016 1 1 1 CYS HB2 H -1.797 11.842 -1.872 1.00 . A A . 1 CYS HB2 1 1 17 7017 1 1 1 CYS HB3 H -1.676 13.092 -3.055 1.00 . A A . 1 CYS HB3 1 1 17 7018 1 1 1 CYS N N -0.284 12.055 -4.760 1.00 . A A . 1 CYS N 1 1 17 7019 1 1 1 CYS O O -2.529 10.196 -5.180 1.00 . A A . 1 CYS O 1 1 17 7020 1 1 1 CYS SG S -3.714 11.926 -3.257 1.00 . A A . 1 CYS SG 1 1 17 7021 1 1 2 ARG C C -2.970 7.324 -4.585 1.00 . A A . 2 ARG C 1 1 17 7022 1 1 2 ARG CA C -1.517 7.613 -4.978 1.00 . A A . 2 ARG CA 1 1 17 7023 1 1 2 ARG CB C -0.634 6.394 -4.595 1.00 . A A . 2 ARG CB 1 1 17 7024 1 1 2 ARG CD C 0.439 4.271 -5.386 1.00 . A A . 2 ARG CD 1 1 17 7025 1 1 2 ARG CG C -0.159 5.624 -5.837 1.00 . A A . 2 ARG CG 1 1 17 7026 1 1 2 ARG CZ C 2.635 3.656 -6.219 1.00 . A A . 2 ARG CZ 1 1 17 7027 1 1 2 ARG H H -0.210 8.771 -3.711 1.00 . A A . 2 ARG H 1 1 17 7028 1 1 2 ARG HA H -1.477 7.781 -6.045 1.00 . A A . 2 ARG HA 1 1 17 7029 1 1 2 ARG HB2 H 0.228 6.728 -4.041 1.00 . A A . 2 ARG HB2 1 1 17 7030 1 1 2 ARG HB3 H -1.196 5.711 -3.974 1.00 . A A . 2 ARG HB3 1 1 17 7031 1 1 2 ARG HD2 H 0.987 4.377 -4.460 1.00 . A A . 2 ARG HD2 1 1 17 7032 1 1 2 ARG HD3 H -0.344 3.542 -5.243 1.00 . A A . 2 ARG HD3 1 1 17 7033 1 1 2 ARG HE H 1.001 3.553 -7.340 1.00 . A A . 2 ARG HE 1 1 17 7034 1 1 2 ARG HG2 H -0.992 5.447 -6.500 1.00 . A A . 2 ARG HG2 1 1 17 7035 1 1 2 ARG HG3 H 0.588 6.203 -6.360 1.00 . A A . 2 ARG HG3 1 1 17 7036 1 1 2 ARG HH11 H 2.381 2.043 -5.068 1.00 . A A . 2 ARG HH11 1 1 17 7037 1 1 2 ARG HH12 H 4.019 2.570 -5.265 1.00 . A A . 2 ARG HH12 1 1 17 7038 1 1 2 ARG HH21 H 3.113 5.250 -7.327 1.00 . A A . 2 ARG HH21 1 1 17 7039 1 1 2 ARG HH22 H 4.443 4.431 -6.576 1.00 . A A . 2 ARG HH22 1 1 17 7040 1 1 2 ARG N N -0.990 8.845 -4.298 1.00 . A A . 2 ARG N 1 1 17 7041 1 1 2 ARG NE N 1.357 3.781 -6.457 1.00 . A A . 2 ARG NE 1 1 17 7042 1 1 2 ARG NH1 N 3.045 2.680 -5.458 1.00 . A A . 2 ARG NH1 1 1 17 7043 1 1 2 ARG NH2 N 3.461 4.513 -6.748 1.00 . A A . 2 ARG NH2 1 1 17 7044 1 1 2 ARG O O -3.341 7.452 -3.435 1.00 . A A . 2 ARG O 1 1 17 7045 1 1 3 ILE C C -5.299 5.311 -4.505 1.00 . A A . 3 ILE C 1 1 17 7046 1 1 3 ILE CA C -5.186 6.620 -5.322 1.00 . A A . 3 ILE CA 1 1 17 7047 1 1 3 ILE CB C -5.881 6.467 -6.696 1.00 . A A . 3 ILE CB 1 1 17 7048 1 1 3 ILE CD1 C -5.863 4.541 -8.355 1.00 . A A . 3 ILE CD1 1 1 17 7049 1 1 3 ILE CG1 C -5.001 5.590 -7.647 1.00 . A A . 3 ILE CG1 1 1 17 7050 1 1 3 ILE CG2 C -6.089 7.865 -7.321 1.00 . A A . 3 ILE CG2 1 1 17 7051 1 1 3 ILE H H -3.400 6.846 -6.471 1.00 . A A . 3 ILE H 1 1 17 7052 1 1 3 ILE HA H -5.624 7.435 -4.765 1.00 . A A . 3 ILE HA 1 1 17 7053 1 1 3 ILE HB H -6.841 6.002 -6.549 1.00 . A A . 3 ILE HB 1 1 17 7054 1 1 3 ILE HD11 H -6.707 5.013 -8.837 1.00 . A A . 3 ILE HD11 1 1 17 7055 1 1 3 ILE HD12 H -5.271 4.034 -9.103 1.00 . A A . 3 ILE HD12 1 1 17 7056 1 1 3 ILE HD13 H -6.222 3.814 -7.643 1.00 . A A . 3 ILE HD13 1 1 17 7057 1 1 3 ILE HG12 H -4.506 6.202 -8.385 1.00 . A A . 3 ILE HG12 1 1 17 7058 1 1 3 ILE HG13 H -4.242 5.081 -7.075 1.00 . A A . 3 ILE HG13 1 1 17 7059 1 1 3 ILE HG21 H -5.145 8.381 -7.418 1.00 . A A . 3 ILE HG21 1 1 17 7060 1 1 3 ILE HG22 H -6.537 7.773 -8.299 1.00 . A A . 3 ILE HG22 1 1 17 7061 1 1 3 ILE HG23 H -6.743 8.457 -6.697 1.00 . A A . 3 ILE HG23 1 1 17 7062 1 1 3 ILE N N -3.749 6.937 -5.560 1.00 . A A . 3 ILE N 1 1 17 7063 1 1 3 ILE O O -4.389 4.504 -4.539 1.00 . A A . 3 ILE O 1 1 17 7064 1 1 4 HYP C C -6.598 2.633 -4.020 1.00 . A A . 4 HYP C 1 1 17 7065 1 1 4 HYP CA C -6.662 3.845 -3.078 1.00 . A A . 4 HYP CA 1 1 17 7066 1 1 4 HYP CB C -8.049 4.001 -2.439 1.00 . A A . 4 HYP CB 1 1 17 7067 1 1 4 HYP CD C -7.470 6.139 -3.621 1.00 . A A . 4 HYP CD 1 1 17 7068 1 1 4 HYP CG C -8.448 5.492 -2.619 1.00 . A A . 4 HYP CG 1 1 17 7069 1 1 4 HYP HA H -5.922 3.729 -2.298 1.00 . A A . 4 HYP HA 1 1 17 7070 1 1 4 HYP HB2 H -8.017 3.728 -1.395 1.00 . A A . 4 HYP HB2 1 1 17 7071 1 1 4 HYP HB3 H -8.773 3.374 -2.936 1.00 . A A . 4 HYP HB3 1 1 17 7072 1 1 4 HYP HD1 H -8.452 7.010 -1.404 1.00 . A A . 4 HYP HD1 1 1 17 7073 1 1 4 HYP HD22 H -7.050 7.057 -3.238 1.00 . A A . 4 HYP HD22 1 1 17 7074 1 1 4 HYP HD23 H -7.956 6.316 -4.569 1.00 . A A . 4 HYP HD23 1 1 17 7075 1 1 4 HYP HG H -9.487 5.637 -2.871 1.00 . A A . 4 HYP HG 1 1 17 7076 1 1 4 HYP N N -6.393 5.124 -3.795 1.00 . A A . 4 HYP N 1 1 17 7077 1 1 4 HYP O O -6.838 2.765 -5.203 1.00 . A A . 4 HYP O 1 1 17 7078 1 1 4 HYP OD1 O -8.146 6.101 -1.369 1.00 . A A . 4 HYP OD1 1 1 17 7079 1 1 5 ASN C C -4.997 0.115 -5.176 1.00 . A A . 5 ASN C 1 1 17 7080 1 1 5 ASN CA C -6.146 0.190 -4.153 1.00 . A A . 5 ASN CA 1 1 17 7081 1 1 5 ASN CB C -7.536 -0.136 -4.848 1.00 . A A . 5 ASN CB 1 1 17 7082 1 1 5 ASN CG C -7.630 0.148 -6.368 1.00 . A A . 5 ASN CG 1 1 17 7083 1 1 5 ASN H H -6.096 1.525 -2.475 1.00 . A A . 5 ASN H 1 1 17 7084 1 1 5 ASN HA H -5.964 -0.568 -3.405 1.00 . A A . 5 ASN HA 1 1 17 7085 1 1 5 ASN HB2 H -7.758 -1.182 -4.694 1.00 . A A . 5 ASN HB2 1 1 17 7086 1 1 5 ASN HB3 H -8.314 0.432 -4.359 1.00 . A A . 5 ASN HB3 1 1 17 7087 1 1 5 ASN HD21 H -9.215 -1.033 -6.577 1.00 . A A . 5 ASN HD21 1 1 17 7088 1 1 5 ASN HD22 H -8.671 -0.283 -8.000 1.00 . A A . 5 ASN HD22 1 1 17 7089 1 1 5 ASN N N -6.270 1.505 -3.438 1.00 . A A . 5 ASN N 1 1 17 7090 1 1 5 ASN ND2 N -8.585 -0.438 -7.036 1.00 . A A . 5 ASN ND2 1 1 17 7091 1 1 5 ASN O O -4.748 -0.947 -5.712 1.00 . A A . 5 ASN O 1 1 17 7092 1 1 5 ASN OD1 O -6.867 0.881 -6.967 1.00 . A A . 5 ASN OD1 1 1 17 7093 1 1 6 GLN C C -1.980 0.480 -5.824 1.00 . A A . 6 GLN C 1 1 17 7094 1 1 6 GLN CA C -3.202 1.199 -6.415 1.00 . A A . 6 GLN CA 1 1 17 7095 1 1 6 GLN CB C -2.853 2.651 -6.775 1.00 . A A . 6 GLN CB 1 1 17 7096 1 1 6 GLN CD C -2.200 3.769 -8.942 1.00 . A A . 6 GLN CD 1 1 17 7097 1 1 6 GLN CG C -1.817 2.682 -7.928 1.00 . A A . 6 GLN CG 1 1 17 7098 1 1 6 GLN H H -4.562 2.054 -4.977 1.00 . A A . 6 GLN H 1 1 17 7099 1 1 6 GLN HA H -3.530 0.673 -7.301 1.00 . A A . 6 GLN HA 1 1 17 7100 1 1 6 GLN HB2 H -3.766 3.133 -7.083 1.00 . A A . 6 GLN HB2 1 1 17 7101 1 1 6 GLN HB3 H -2.466 3.168 -5.910 1.00 . A A . 6 GLN HB3 1 1 17 7102 1 1 6 GLN HE21 H -3.116 2.489 -10.153 1.00 . A A . 6 GLN HE21 1 1 17 7103 1 1 6 GLN HE22 H -3.120 4.107 -10.669 1.00 . A A . 6 GLN HE22 1 1 17 7104 1 1 6 GLN HG2 H -0.835 2.903 -7.540 1.00 . A A . 6 GLN HG2 1 1 17 7105 1 1 6 GLN HG3 H -1.776 1.734 -8.443 1.00 . A A . 6 GLN HG3 1 1 17 7106 1 1 6 GLN N N -4.329 1.215 -5.429 1.00 . A A . 6 GLN N 1 1 17 7107 1 1 6 GLN NE2 N -2.868 3.426 -10.010 1.00 . A A . 6 GLN NE2 1 1 17 7108 1 1 6 GLN O O -1.563 0.771 -4.721 1.00 . A A . 6 GLN O 1 1 17 7109 1 1 6 GLN OE1 O -1.897 4.932 -8.773 1.00 . A A . 6 GLN OE1 1 1 17 7110 1 1 7 LYS C C 0.876 -0.397 -5.561 1.00 . A A . 7 LYS C 1 1 17 7111 1 1 7 LYS CA C -0.259 -1.239 -6.178 1.00 . A A . 7 LYS CA 1 1 17 7112 1 1 7 LYS CB C 0.278 -2.018 -7.416 1.00 . A A . 7 LYS CB 1 1 17 7113 1 1 7 LYS CD C 1.971 -3.491 -6.153 1.00 . A A . 7 LYS CD 1 1 17 7114 1 1 7 LYS CE C 3.219 -3.305 -7.028 1.00 . A A . 7 LYS CE 1 1 17 7115 1 1 7 LYS CG C 0.680 -3.468 -7.020 1.00 . A A . 7 LYS CG 1 1 17 7116 1 1 7 LYS H H -1.852 -0.603 -7.478 1.00 . A A . 7 LYS H 1 1 17 7117 1 1 7 LYS HA H -0.601 -1.948 -5.443 1.00 . A A . 7 LYS HA 1 1 17 7118 1 1 7 LYS HB2 H -0.498 -2.075 -8.165 1.00 . A A . 7 LYS HB2 1 1 17 7119 1 1 7 LYS HB3 H 1.121 -1.508 -7.857 1.00 . A A . 7 LYS HB3 1 1 17 7120 1 1 7 LYS HD2 H 1.945 -2.718 -5.402 1.00 . A A . 7 LYS HD2 1 1 17 7121 1 1 7 LYS HD3 H 2.035 -4.446 -5.649 1.00 . A A . 7 LYS HD3 1 1 17 7122 1 1 7 LYS HE2 H 3.364 -4.167 -7.662 1.00 . A A . 7 LYS HE2 1 1 17 7123 1 1 7 LYS HE3 H 3.131 -2.423 -7.646 1.00 . A A . 7 LYS HE3 1 1 17 7124 1 1 7 LYS HG2 H -0.127 -3.926 -6.466 1.00 . A A . 7 LYS HG2 1 1 17 7125 1 1 7 LYS HG3 H 0.839 -4.051 -7.915 1.00 . A A . 7 LYS HG3 1 1 17 7126 1 1 7 LYS HZ1 H 4.464 -3.944 -5.487 1.00 . A A . 7 LYS HZ1 1 1 17 7127 1 1 7 LYS HZ2 H 5.275 -3.140 -6.744 1.00 . A A . 7 LYS HZ2 1 1 17 7128 1 1 7 LYS HZ3 H 4.349 -2.256 -5.629 1.00 . A A . 7 LYS HZ3 1 1 17 7129 1 1 7 LYS N N -1.452 -0.438 -6.599 1.00 . A A . 7 LYS N 1 1 17 7130 1 1 7 LYS NZ N 4.417 -3.149 -6.157 1.00 . A A . 7 LYS NZ 1 1 17 7131 1 1 7 LYS O O 1.548 0.351 -6.246 1.00 . A A . 7 LYS O 1 1 17 7132 1 1 8 CYS C C 2.706 -0.765 -2.456 1.00 . A A . 8 CYS C 1 1 17 7133 1 1 8 CYS CA C 2.083 0.169 -3.497 1.00 . A A . 8 CYS CA 1 1 17 7134 1 1 8 CYS CB C 1.447 1.371 -2.807 1.00 . A A . 8 CYS CB 1 1 17 7135 1 1 8 CYS H H 0.437 -1.175 -3.793 1.00 . A A . 8 CYS H 1 1 17 7136 1 1 8 CYS HA H 2.864 0.491 -4.170 1.00 . A A . 8 CYS HA 1 1 17 7137 1 1 8 CYS HB2 H 2.212 1.883 -2.241 1.00 . A A . 8 CYS HB2 1 1 17 7138 1 1 8 CYS HB3 H 1.108 2.055 -3.572 1.00 . A A . 8 CYS HB3 1 1 17 7139 1 1 8 CYS N N 1.030 -0.559 -4.270 1.00 . A A . 8 CYS N 1 1 17 7140 1 1 8 CYS O O 2.112 -1.748 -2.057 1.00 . A A . 8 CYS O 1 1 17 7141 1 1 8 CYS SG S 0.049 1.085 -1.693 1.00 . A A . 8 CYS SG 1 1 17 7142 1 1 9 PHE C C 4.322 -0.741 0.379 1.00 . A A . 9 PHE C 1 1 17 7143 1 1 9 PHE CA C 4.642 -1.226 -1.035 1.00 . A A . 9 PHE CA 1 1 17 7144 1 1 9 PHE CB C 6.162 -1.101 -1.283 1.00 . A A . 9 PHE CB 1 1 17 7145 1 1 9 PHE CD1 C 6.447 -0.075 -3.583 1.00 . A A . 9 PHE CD1 1 1 17 7146 1 1 9 PHE CD2 C 6.742 -2.431 -3.364 1.00 . A A . 9 PHE CD2 1 1 17 7147 1 1 9 PHE CE1 C 6.708 -0.165 -4.932 1.00 . A A . 9 PHE CE1 1 1 17 7148 1 1 9 PHE CE2 C 7.004 -2.522 -4.716 1.00 . A A . 9 PHE CE2 1 1 17 7149 1 1 9 PHE CG C 6.461 -1.207 -2.787 1.00 . A A . 9 PHE CG 1 1 17 7150 1 1 9 PHE CZ C 6.988 -1.390 -5.500 1.00 . A A . 9 PHE CZ 1 1 17 7151 1 1 9 PHE H H 4.313 0.395 -2.413 1.00 . A A . 9 PHE H 1 1 17 7152 1 1 9 PHE HA H 4.350 -2.263 -1.126 1.00 . A A . 9 PHE HA 1 1 17 7153 1 1 9 PHE HB2 H 6.529 -0.153 -0.921 1.00 . A A . 9 PHE HB2 1 1 17 7154 1 1 9 PHE HB3 H 6.688 -1.890 -0.766 1.00 . A A . 9 PHE HB3 1 1 17 7155 1 1 9 PHE HD1 H 6.228 0.889 -3.147 1.00 . A A . 9 PHE HD1 1 1 17 7156 1 1 9 PHE HD2 H 6.756 -3.324 -2.756 1.00 . A A . 9 PHE HD2 1 1 17 7157 1 1 9 PHE HE1 H 6.696 0.725 -5.545 1.00 . A A . 9 PHE HE1 1 1 17 7158 1 1 9 PHE HE2 H 7.222 -3.482 -5.159 1.00 . A A . 9 PHE HE2 1 1 17 7159 1 1 9 PHE HZ H 7.192 -1.461 -6.558 1.00 . A A . 9 PHE HZ 1 1 17 7160 1 1 9 PHE N N 3.898 -0.415 -2.049 1.00 . A A . 9 PHE N 1 1 17 7161 1 1 9 PHE O O 4.144 0.441 0.608 1.00 . A A . 9 PHE O 1 1 17 7162 1 1 10 GLN C C 4.996 -0.397 3.252 1.00 . A A . 10 GLN C 1 1 17 7163 1 1 10 GLN CA C 3.964 -1.396 2.711 1.00 . A A . 10 GLN CA 1 1 17 7164 1 1 10 GLN CB C 4.037 -2.705 3.531 1.00 . A A . 10 GLN CB 1 1 17 7165 1 1 10 GLN CD C 2.869 -4.306 1.976 1.00 . A A . 10 GLN CD 1 1 17 7166 1 1 10 GLN CG C 2.766 -3.557 3.312 1.00 . A A . 10 GLN CG 1 1 17 7167 1 1 10 GLN H H 4.406 -2.617 1.023 1.00 . A A . 10 GLN H 1 1 17 7168 1 1 10 GLN HA H 2.982 -0.966 2.760 1.00 . A A . 10 GLN HA 1 1 17 7169 1 1 10 GLN HB2 H 4.916 -3.265 3.244 1.00 . A A . 10 GLN HB2 1 1 17 7170 1 1 10 GLN HB3 H 4.123 -2.463 4.581 1.00 . A A . 10 GLN HB3 1 1 17 7171 1 1 10 GLN HE21 H 2.006 -2.843 0.947 1.00 . A A . 10 GLN HE21 1 1 17 7172 1 1 10 GLN HE22 H 2.474 -4.199 0.038 1.00 . A A . 10 GLN HE22 1 1 17 7173 1 1 10 GLN HG2 H 2.670 -4.281 4.107 1.00 . A A . 10 GLN HG2 1 1 17 7174 1 1 10 GLN HG3 H 1.885 -2.933 3.301 1.00 . A A . 10 GLN HG3 1 1 17 7175 1 1 10 GLN N N 4.260 -1.689 1.281 1.00 . A A . 10 GLN N 1 1 17 7176 1 1 10 GLN NE2 N 2.412 -3.734 0.898 1.00 . A A . 10 GLN NE2 1 1 17 7177 1 1 10 GLN O O 4.697 0.429 4.092 1.00 . A A . 10 GLN O 1 1 17 7178 1 1 10 GLN OE1 O 3.365 -5.412 1.899 1.00 . A A . 10 GLN OE1 1 1 17 7179 1 1 11 HIS C C 7.229 1.693 2.396 1.00 . A A . 11 HIS C 1 1 17 7180 1 1 11 HIS CA C 7.326 0.343 3.115 1.00 . A A . 11 HIS CA 1 1 17 7181 1 1 11 HIS CB C 8.632 -0.381 2.744 1.00 . A A . 11 HIS CB 1 1 17 7182 1 1 11 HIS CD2 C 10.212 0.261 4.757 1.00 . A A . 11 HIS CD2 1 1 17 7183 1 1 11 HIS CE1 C 11.486 1.550 3.747 1.00 . A A . 11 HIS CE1 1 1 17 7184 1 1 11 HIS CG C 9.796 0.320 3.441 1.00 . A A . 11 HIS CG 1 1 17 7185 1 1 11 HIS H H 6.331 -1.226 2.052 1.00 . A A . 11 HIS H 1 1 17 7186 1 1 11 HIS HA H 7.285 0.514 4.180 1.00 . A A . 11 HIS HA 1 1 17 7187 1 1 11 HIS HB2 H 8.600 -1.410 3.075 1.00 . A A . 11 HIS HB2 1 1 17 7188 1 1 11 HIS HB3 H 8.797 -0.363 1.676 1.00 . A A . 11 HIS HB3 1 1 17 7189 1 1 11 HIS HD1 H 10.604 1.392 1.929 1.00 . A A . 11 HIS HD1 1 1 17 7190 1 1 11 HIS HD2 H 9.737 -0.332 5.526 1.00 . A A . 11 HIS HD2 1 1 17 7191 1 1 11 HIS HE1 H 12.287 2.240 3.525 1.00 . A A . 11 HIS HE1 1 1 17 7192 1 1 11 HIS N N 6.187 -0.530 2.724 1.00 . A A . 11 HIS N 1 1 17 7193 1 1 11 HIS ND1 N 10.626 1.133 2.874 1.00 . A A . 11 HIS ND1 1 1 17 7194 1 1 11 HIS NE2 N 11.266 1.034 4.933 1.00 . A A . 11 HIS NE2 1 1 17 7195 1 1 11 HIS O O 7.260 2.734 3.024 1.00 . A A . 11 HIS O 1 1 17 7196 1 1 12 LEU C C 5.534 3.127 -0.048 1.00 . A A . 12 LEU C 1 1 17 7197 1 1 12 LEU CA C 7.012 2.853 0.255 1.00 . A A . 12 LEU CA 1 1 17 7198 1 1 12 LEU CB C 7.813 2.635 -1.049 1.00 . A A . 12 LEU CB 1 1 17 7199 1 1 12 LEU CD1 C 9.740 0.994 -1.076 1.00 . A A . 12 LEU CD1 1 1 17 7200 1 1 12 LEU CD2 C 10.174 3.429 -1.536 1.00 . A A . 12 LEU CD2 1 1 17 7201 1 1 12 LEU CG C 9.323 2.435 -0.716 1.00 . A A . 12 LEU CG 1 1 17 7202 1 1 12 LEU H H 7.098 0.735 0.671 1.00 . A A . 12 LEU H 1 1 17 7203 1 1 12 LEU HA H 7.419 3.698 0.793 1.00 . A A . 12 LEU HA 1 1 17 7204 1 1 12 LEU HB2 H 7.425 1.773 -1.567 1.00 . A A . 12 LEU HB2 1 1 17 7205 1 1 12 LEU HB3 H 7.678 3.497 -1.686 1.00 . A A . 12 LEU HB3 1 1 17 7206 1 1 12 LEU HD11 H 9.123 0.284 -0.545 1.00 . A A . 12 LEU HD11 1 1 17 7207 1 1 12 LEU HD12 H 9.627 0.826 -2.138 1.00 . A A . 12 LEU HD12 1 1 17 7208 1 1 12 LEU HD13 H 10.773 0.827 -0.804 1.00 . A A . 12 LEU HD13 1 1 17 7209 1 1 12 LEU HD21 H 9.984 3.304 -2.593 1.00 . A A . 12 LEU HD21 1 1 17 7210 1 1 12 LEU HD22 H 9.929 4.443 -1.256 1.00 . A A . 12 LEU HD22 1 1 17 7211 1 1 12 LEU HD23 H 11.226 3.263 -1.351 1.00 . A A . 12 LEU HD23 1 1 17 7212 1 1 12 LEU HG H 9.505 2.603 0.336 1.00 . A A . 12 LEU HG 1 1 17 7213 1 1 12 LEU N N 7.116 1.619 1.094 1.00 . A A . 12 LEU N 1 1 17 7214 1 1 12 LEU O O 5.096 3.142 -1.183 1.00 . A A . 12 LEU O 1 1 17 7215 1 1 13 ASP C C 3.192 5.106 0.574 1.00 . A A . 13 ASP C 1 1 17 7216 1 1 13 ASP CA C 3.352 3.621 0.934 1.00 . A A . 13 ASP CA 1 1 17 7217 1 1 13 ASP CB C 2.696 3.277 2.310 1.00 . A A . 13 ASP CB 1 1 17 7218 1 1 13 ASP CG C 3.497 3.872 3.489 1.00 . A A . 13 ASP CG 1 1 17 7219 1 1 13 ASP H H 5.245 3.302 1.902 1.00 . A A . 13 ASP H 1 1 17 7220 1 1 13 ASP HA H 2.916 3.016 0.153 1.00 . A A . 13 ASP HA 1 1 17 7221 1 1 13 ASP HB2 H 1.685 3.655 2.340 1.00 . A A . 13 ASP HB2 1 1 17 7222 1 1 13 ASP HB3 H 2.655 2.203 2.424 1.00 . A A . 13 ASP HB3 1 1 17 7223 1 1 13 ASP N N 4.812 3.335 1.025 1.00 . A A . 13 ASP N 1 1 17 7224 1 1 13 ASP O O 3.011 5.966 1.415 1.00 . A A . 13 ASP O 1 1 17 7225 1 1 13 ASP OD1 O 4.456 3.226 3.883 1.00 . A A . 13 ASP OD1 1 1 17 7226 1 1 13 ASP OD2 O 3.107 4.939 3.934 1.00 . A A . 13 ASP OD2 1 1 17 7227 1 1 14 ASP C C 1.671 7.076 -1.539 1.00 . A A . 14 ASP C 1 1 17 7228 1 1 14 ASP CA C 3.139 6.729 -1.253 1.00 . A A . 14 ASP CA 1 1 17 7229 1 1 14 ASP CB C 3.995 6.783 -2.528 1.00 . A A . 14 ASP CB 1 1 17 7230 1 1 14 ASP CG C 3.433 5.827 -3.600 1.00 . A A . 14 ASP CG 1 1 17 7231 1 1 14 ASP H H 3.408 4.624 -1.345 1.00 . A A . 14 ASP H 1 1 17 7232 1 1 14 ASP HA H 3.528 7.435 -0.533 1.00 . A A . 14 ASP HA 1 1 17 7233 1 1 14 ASP HB2 H 3.990 7.786 -2.908 1.00 . A A . 14 ASP HB2 1 1 17 7234 1 1 14 ASP HB3 H 5.015 6.504 -2.305 1.00 . A A . 14 ASP HB3 1 1 17 7235 1 1 14 ASP N N 3.266 5.351 -0.708 1.00 . A A . 14 ASP N 1 1 17 7236 1 1 14 ASP O O 1.381 7.990 -2.289 1.00 . A A . 14 ASP O 1 1 17 7237 1 1 14 ASP OD1 O 3.701 4.643 -3.469 1.00 . A A . 14 ASP OD1 1 1 17 7238 1 1 14 ASP OD2 O 2.769 6.335 -4.490 1.00 . A A . 14 ASP OD2 1 1 17 7239 1 1 15 CYS C C -1.110 7.863 -0.484 1.00 . A A . 15 CYS C 1 1 17 7240 1 1 15 CYS CA C -0.668 6.546 -1.104 1.00 . A A . 15 CYS CA 1 1 17 7241 1 1 15 CYS CB C -1.413 5.385 -0.454 1.00 . A A . 15 CYS CB 1 1 17 7242 1 1 15 CYS H H 1.078 5.605 -0.330 1.00 . A A . 15 CYS H 1 1 17 7243 1 1 15 CYS HA H -0.893 6.577 -2.152 1.00 . A A . 15 CYS HA 1 1 17 7244 1 1 15 CYS HB2 H -1.330 5.468 0.619 1.00 . A A . 15 CYS HB2 1 1 17 7245 1 1 15 CYS HB3 H -2.454 5.469 -0.709 1.00 . A A . 15 CYS HB3 1 1 17 7246 1 1 15 CYS N N 0.790 6.328 -0.924 1.00 . A A . 15 CYS N 1 1 17 7247 1 1 15 CYS O O -0.413 8.450 0.321 1.00 . A A . 15 CYS O 1 1 17 7248 1 1 15 CYS SG S -0.871 3.721 -0.904 1.00 . A A . 15 CYS SG 1 1 17 7249 1 1 16 CYS C C -3.147 9.330 1.109 1.00 . A A . 16 CYS C 1 1 17 7250 1 1 16 CYS CA C -2.859 9.549 -0.387 1.00 . A A . 16 CYS CA 1 1 17 7251 1 1 16 CYS CB C -4.142 9.835 -1.183 1.00 . A A . 16 CYS CB 1 1 17 7252 1 1 16 CYS H H -2.774 7.744 -1.548 1.00 . A A . 16 CYS H 1 1 17 7253 1 1 16 CYS HA H -2.135 10.343 -0.496 1.00 . A A . 16 CYS HA 1 1 17 7254 1 1 16 CYS HB2 H -4.058 9.383 -2.159 1.00 . A A . 16 CYS HB2 1 1 17 7255 1 1 16 CYS HB3 H -4.983 9.375 -0.687 1.00 . A A . 16 CYS HB3 1 1 17 7256 1 1 16 CYS N N -2.277 8.278 -0.897 1.00 . A A . 16 CYS N 1 1 17 7257 1 1 16 CYS O O -3.022 10.228 1.919 1.00 . A A . 16 CYS O 1 1 17 7258 1 1 16 CYS SG S -4.538 11.578 -1.444 1.00 . A A . 16 CYS SG 1 1 17 7259 1 1 17 SER C C -2.585 7.119 3.473 1.00 . A A . 17 SER C 1 1 17 7260 1 1 17 SER CA C -3.852 7.665 2.779 1.00 . A A . 17 SER CA 1 1 17 7261 1 1 17 SER CB C -4.920 6.578 2.667 1.00 . A A . 17 SER CB 1 1 17 7262 1 1 17 SER H H -3.606 7.444 0.688 1.00 . A A . 17 SER H 1 1 17 7263 1 1 17 SER HA H -4.235 8.501 3.346 1.00 . A A . 17 SER HA 1 1 17 7264 1 1 17 SER HB2 H -5.199 6.205 3.634 1.00 . A A . 17 SER HB2 1 1 17 7265 1 1 17 SER HB3 H -5.792 6.925 2.134 1.00 . A A . 17 SER HB3 1 1 17 7266 1 1 17 SER HG H -4.599 5.598 1.016 1.00 . A A . 17 SER HG 1 1 17 7267 1 1 17 SER N N -3.526 8.111 1.400 1.00 . A A . 17 SER N 1 1 17 7268 1 1 17 SER O O -2.596 6.864 4.661 1.00 . A A . 17 SER O 1 1 17 7269 1 1 17 SER OG O -4.294 5.538 1.925 1.00 . A A . 17 SER OG 1 1 17 7270 1 1 18 ARG C C -0.397 5.046 3.823 1.00 . A A . 18 ARG C 1 1 17 7271 1 1 18 ARG CA C -0.219 6.438 3.189 1.00 . A A . 18 ARG CA 1 1 17 7272 1 1 18 ARG CB C 0.377 7.422 4.240 1.00 . A A . 18 ARG CB 1 1 17 7273 1 1 18 ARG CD C -0.532 9.781 4.350 1.00 . A A . 18 ARG CD 1 1 17 7274 1 1 18 ARG CG C 0.479 8.852 3.654 1.00 . A A . 18 ARG CG 1 1 17 7275 1 1 18 ARG CZ C -1.168 12.095 4.055 1.00 . A A . 18 ARG CZ 1 1 17 7276 1 1 18 ARG H H -1.619 7.196 1.747 1.00 . A A . 18 ARG H 1 1 17 7277 1 1 18 ARG HA H 0.450 6.347 2.349 1.00 . A A . 18 ARG HA 1 1 17 7278 1 1 18 ARG HB2 H -0.220 7.415 5.139 1.00 . A A . 18 ARG HB2 1 1 17 7279 1 1 18 ARG HB3 H 1.370 7.089 4.502 1.00 . A A . 18 ARG HB3 1 1 17 7280 1 1 18 ARG HD2 H -1.499 9.309 4.448 1.00 . A A . 18 ARG HD2 1 1 17 7281 1 1 18 ARG HD3 H -0.170 10.057 5.331 1.00 . A A . 18 ARG HD3 1 1 17 7282 1 1 18 ARG HE H -0.423 11.000 2.572 1.00 . A A . 18 ARG HE 1 1 17 7283 1 1 18 ARG HG2 H 1.476 9.233 3.817 1.00 . A A . 18 ARG HG2 1 1 17 7284 1 1 18 ARG HG3 H 0.291 8.845 2.591 1.00 . A A . 18 ARG HG3 1 1 17 7285 1 1 18 ARG HH11 H 0.597 12.635 4.824 1.00 . A A . 18 ARG HH11 1 1 17 7286 1 1 18 ARG HH12 H -0.720 13.711 5.147 1.00 . A A . 18 ARG HH12 1 1 17 7287 1 1 18 ARG HH21 H -3.021 11.749 3.382 1.00 . A A . 18 ARG HH21 1 1 17 7288 1 1 18 ARG HH22 H -2.818 13.196 4.310 1.00 . A A . 18 ARG HH22 1 1 17 7289 1 1 18 ARG N N -1.538 6.961 2.695 1.00 . A A . 18 ARG N 1 1 17 7290 1 1 18 ARG NE N -0.685 11.009 3.517 1.00 . A A . 18 ARG NE 1 1 17 7291 1 1 18 ARG NH1 N -0.368 12.875 4.729 1.00 . A A . 18 ARG NH1 1 1 17 7292 1 1 18 ARG NH2 N -2.434 12.368 3.904 1.00 . A A . 18 ARG NH2 1 1 17 7293 1 1 18 ARG O O 0.375 4.633 4.667 1.00 . A A . 18 ARG O 1 1 17 7294 1 1 19 LYS C C -1.792 2.025 2.700 1.00 . A A . 19 LYS C 1 1 17 7295 1 1 19 LYS CA C -1.756 3.007 3.877 1.00 . A A . 19 LYS CA 1 1 17 7296 1 1 19 LYS CB C -3.121 3.076 4.560 1.00 . A A . 19 LYS CB 1 1 17 7297 1 1 19 LYS CD C -2.634 2.353 6.937 1.00 . A A . 19 LYS CD 1 1 17 7298 1 1 19 LYS CE C -2.770 2.775 8.409 1.00 . A A . 19 LYS CE 1 1 17 7299 1 1 19 LYS CG C -2.986 3.552 6.024 1.00 . A A . 19 LYS CG 1 1 17 7300 1 1 19 LYS H H -2.014 4.755 2.697 1.00 . A A . 19 LYS H 1 1 17 7301 1 1 19 LYS HA H -1.000 2.682 4.578 1.00 . A A . 19 LYS HA 1 1 17 7302 1 1 19 LYS HB2 H -3.755 3.767 4.025 1.00 . A A . 19 LYS HB2 1 1 17 7303 1 1 19 LYS HB3 H -3.577 2.105 4.510 1.00 . A A . 19 LYS HB3 1 1 17 7304 1 1 19 LYS HD2 H -3.302 1.527 6.737 1.00 . A A . 19 LYS HD2 1 1 17 7305 1 1 19 LYS HD3 H -1.621 2.032 6.743 1.00 . A A . 19 LYS HD3 1 1 17 7306 1 1 19 LYS HE2 H -2.104 3.595 8.631 1.00 . A A . 19 LYS HE2 1 1 17 7307 1 1 19 LYS HE3 H -3.785 3.078 8.622 1.00 . A A . 19 LYS HE3 1 1 17 7308 1 1 19 LYS HG2 H -2.219 4.311 6.103 1.00 . A A . 19 LYS HG2 1 1 17 7309 1 1 19 LYS HG3 H -3.924 3.984 6.338 1.00 . A A . 19 LYS HG3 1 1 17 7310 1 1 19 LYS HZ1 H -2.860 0.761 8.932 1.00 . A A . 19 LYS HZ1 1 1 17 7311 1 1 19 LYS HZ2 H -1.392 1.515 9.329 1.00 . A A . 19 LYS HZ2 1 1 17 7312 1 1 19 LYS HZ3 H -2.781 1.819 10.257 1.00 . A A . 19 LYS HZ3 1 1 17 7313 1 1 19 LYS N N -1.427 4.369 3.379 1.00 . A A . 19 LYS N 1 1 17 7314 1 1 19 LYS NZ N -2.425 1.631 9.298 1.00 . A A . 19 LYS NZ 1 1 17 7315 1 1 19 LYS O O -2.524 2.233 1.752 1.00 . A A . 19 LYS O 1 1 17 7316 1 1 20 CYS C C -1.174 -1.402 2.443 1.00 . A A . 20 CYS C 1 1 17 7317 1 1 20 CYS CA C -0.912 -0.056 1.755 1.00 . A A . 20 CYS CA 1 1 17 7318 1 1 20 CYS CB C 0.482 0.037 1.158 1.00 . A A . 20 CYS CB 1 1 17 7319 1 1 20 CYS H H -0.418 0.877 3.582 1.00 . A A . 20 CYS H 1 1 17 7320 1 1 20 CYS HA H -1.668 0.124 1.003 1.00 . A A . 20 CYS HA 1 1 17 7321 1 1 20 CYS HB2 H 1.200 0.057 1.963 1.00 . A A . 20 CYS HB2 1 1 17 7322 1 1 20 CYS HB3 H 0.668 -0.846 0.583 1.00 . A A . 20 CYS HB3 1 1 17 7323 1 1 20 CYS N N -0.996 0.991 2.804 1.00 . A A . 20 CYS N 1 1 17 7324 1 1 20 CYS O O -0.381 -1.854 3.247 1.00 . A A . 20 CYS O 1 1 17 7325 1 1 20 CYS SG S 0.770 1.508 0.147 1.00 . A A . 20 CYS SG 1 1 17 7326 1 1 21 ASN C C -1.745 -4.488 2.343 1.00 . A A . 21 ASN C 1 1 17 7327 1 1 21 ASN CA C -2.683 -3.317 2.691 1.00 . A A . 21 ASN CA 1 1 17 7328 1 1 21 ASN CB C -4.124 -3.635 2.221 1.00 . A A . 21 ASN CB 1 1 17 7329 1 1 21 ASN CG C -4.196 -3.870 0.703 1.00 . A A . 21 ASN CG 1 1 17 7330 1 1 21 ASN H H -2.877 -1.572 1.444 1.00 . A A . 21 ASN H 1 1 17 7331 1 1 21 ASN HA H -2.696 -3.211 3.767 1.00 . A A . 21 ASN HA 1 1 17 7332 1 1 21 ASN HB2 H -4.489 -4.520 2.720 1.00 . A A . 21 ASN HB2 1 1 17 7333 1 1 21 ASN HB3 H -4.775 -2.812 2.472 1.00 . A A . 21 ASN HB3 1 1 17 7334 1 1 21 ASN HD21 H -6.178 -3.954 0.711 1.00 . A A . 21 ASN HD21 1 1 17 7335 1 1 21 ASN HD22 H -5.439 -4.172 -0.801 1.00 . A A . 21 ASN HD22 1 1 17 7336 1 1 21 ASN N N -2.288 -1.999 2.101 1.00 . A A . 21 ASN N 1 1 17 7337 1 1 21 ASN ND2 N -5.370 -4.010 0.160 1.00 . A A . 21 ASN ND2 1 1 17 7338 1 1 21 ASN O O -0.731 -4.324 1.691 1.00 . A A . 21 ASN O 1 1 17 7339 1 1 21 ASN OD1 O -3.208 -3.934 -0.004 1.00 . A A . 21 ASN OD1 1 1 17 7340 1 1 22 ARG C C -1.356 -7.334 1.125 1.00 . A A . 22 ARG C 1 1 17 7341 1 1 22 ARG CA C -1.405 -6.907 2.598 1.00 . A A . 22 ARG CA 1 1 17 7342 1 1 22 ARG CB C -2.079 -8.003 3.450 1.00 . A A . 22 ARG CB 1 1 17 7343 1 1 22 ARG CD C -4.137 -9.434 3.752 1.00 . A A . 22 ARG CD 1 1 17 7344 1 1 22 ARG CG C -3.539 -8.244 2.985 1.00 . A A . 22 ARG CG 1 1 17 7345 1 1 22 ARG CZ C -4.241 -9.977 6.111 1.00 . A A . 22 ARG CZ 1 1 17 7346 1 1 22 ARG H H -2.977 -5.694 3.320 1.00 . A A . 22 ARG H 1 1 17 7347 1 1 22 ARG HA H -0.406 -6.741 2.954 1.00 . A A . 22 ARG HA 1 1 17 7348 1 1 22 ARG HB2 H -1.512 -8.914 3.361 1.00 . A A . 22 ARG HB2 1 1 17 7349 1 1 22 ARG HB3 H -2.076 -7.699 4.487 1.00 . A A . 22 ARG HB3 1 1 17 7350 1 1 22 ARG HD2 H -5.116 -9.675 3.362 1.00 . A A . 22 ARG HD2 1 1 17 7351 1 1 22 ARG HD3 H -3.497 -10.301 3.665 1.00 . A A . 22 ARG HD3 1 1 17 7352 1 1 22 ARG HE H -4.385 -8.112 5.439 1.00 . A A . 22 ARG HE 1 1 17 7353 1 1 22 ARG HG2 H -4.137 -7.361 3.161 1.00 . A A . 22 ARG HG2 1 1 17 7354 1 1 22 ARG HG3 H -3.556 -8.469 1.929 1.00 . A A . 22 ARG HG3 1 1 17 7355 1 1 22 ARG HH11 H -2.243 -10.092 6.091 1.00 . A A . 22 ARG HH11 1 1 17 7356 1 1 22 ARG HH12 H -3.044 -11.149 7.204 1.00 . A A . 22 ARG HH12 1 1 17 7357 1 1 22 ARG HH21 H -6.233 -10.026 6.289 1.00 . A A . 22 ARG HH21 1 1 17 7358 1 1 22 ARG HH22 H -5.361 -11.111 7.319 1.00 . A A . 22 ARG HH22 1 1 17 7359 1 1 22 ARG N N -2.150 -5.643 2.810 1.00 . A A . 22 ARG N 1 1 17 7360 1 1 22 ARG NE N -4.273 -9.052 5.189 1.00 . A A . 22 ARG NE 1 1 17 7361 1 1 22 ARG NH1 N -3.086 -10.442 6.499 1.00 . A A . 22 ARG NH1 1 1 17 7362 1 1 22 ARG NH2 N -5.367 -10.405 6.612 1.00 . A A . 22 ARG NH2 1 1 17 7363 1 1 22 ARG O O -0.538 -8.151 0.748 1.00 . A A . 22 ARG O 1 1 17 7364 1 1 23 PHE C C -1.361 -6.147 -1.885 1.00 . A A . 23 PHE C 1 1 17 7365 1 1 23 PHE CA C -2.298 -7.085 -1.111 1.00 . A A . 23 PHE CA 1 1 17 7366 1 1 23 PHE CB C -3.756 -6.910 -1.550 1.00 . A A . 23 PHE CB 1 1 17 7367 1 1 23 PHE CD1 C -4.662 -9.251 -1.188 1.00 . A A . 23 PHE CD1 1 1 17 7368 1 1 23 PHE CD2 C -5.450 -7.516 0.246 1.00 . A A . 23 PHE CD2 1 1 17 7369 1 1 23 PHE CE1 C -5.460 -10.160 -0.524 1.00 . A A . 23 PHE CE1 1 1 17 7370 1 1 23 PHE CE2 C -6.248 -8.426 0.910 1.00 . A A . 23 PHE CE2 1 1 17 7371 1 1 23 PHE CG C -4.649 -7.921 -0.808 1.00 . A A . 23 PHE CG 1 1 17 7372 1 1 23 PHE CZ C -6.254 -9.748 0.525 1.00 . A A . 23 PHE CZ 1 1 17 7373 1 1 23 PHE H H -2.870 -6.102 0.685 1.00 . A A . 23 PHE H 1 1 17 7374 1 1 23 PHE HA H -1.980 -8.106 -1.270 1.00 . A A . 23 PHE HA 1 1 17 7375 1 1 23 PHE HB2 H -4.098 -5.910 -1.328 1.00 . A A . 23 PHE HB2 1 1 17 7376 1 1 23 PHE HB3 H -3.842 -7.074 -2.606 1.00 . A A . 23 PHE HB3 1 1 17 7377 1 1 23 PHE HD1 H -4.044 -9.584 -2.009 1.00 . A A . 23 PHE HD1 1 1 17 7378 1 1 23 PHE HD2 H -5.453 -6.483 0.557 1.00 . A A . 23 PHE HD2 1 1 17 7379 1 1 23 PHE HE1 H -5.463 -11.197 -0.828 1.00 . A A . 23 PHE HE1 1 1 17 7380 1 1 23 PHE HE2 H -6.869 -8.100 1.731 1.00 . A A . 23 PHE HE2 1 1 17 7381 1 1 23 PHE HZ H -6.879 -10.460 1.044 1.00 . A A . 23 PHE HZ 1 1 17 7382 1 1 23 PHE N N -2.233 -6.761 0.339 1.00 . A A . 23 PHE N 1 1 17 7383 1 1 23 PHE O O -1.429 -6.058 -3.095 1.00 . A A . 23 PHE O 1 1 17 7384 1 1 24 ASN C C -0.216 -3.525 -2.627 1.00 . A A . 24 ASN C 1 1 17 7385 1 1 24 ASN CA C 0.481 -4.520 -1.703 1.00 . A A . 24 ASN CA 1 1 17 7386 1 1 24 ASN CB C 1.570 -5.332 -2.454 1.00 . A A . 24 ASN CB 1 1 17 7387 1 1 24 ASN CG C 2.335 -6.168 -1.418 1.00 . A A . 24 ASN CG 1 1 17 7388 1 1 24 ASN H H -0.525 -5.615 -0.167 1.00 . A A . 24 ASN H 1 1 17 7389 1 1 24 ASN HA H 0.916 -3.964 -0.891 1.00 . A A . 24 ASN HA 1 1 17 7390 1 1 24 ASN HB2 H 1.133 -5.993 -3.188 1.00 . A A . 24 ASN HB2 1 1 17 7391 1 1 24 ASN HB3 H 2.267 -4.669 -2.946 1.00 . A A . 24 ASN HB3 1 1 17 7392 1 1 24 ASN HD21 H 0.819 -7.415 -1.111 1.00 . A A . 24 ASN HD21 1 1 17 7393 1 1 24 ASN HD22 H 2.215 -7.732 -0.201 1.00 . A A . 24 ASN HD22 1 1 17 7394 1 1 24 ASN N N -0.511 -5.481 -1.137 1.00 . A A . 24 ASN N 1 1 17 7395 1 1 24 ASN ND2 N 1.740 -7.190 -0.864 1.00 . A A . 24 ASN ND2 1 1 17 7396 1 1 24 ASN O O 0.256 -3.201 -3.696 1.00 . A A . 24 ASN O 1 1 17 7397 1 1 24 ASN OD1 O 3.476 -5.899 -1.104 1.00 . A A . 24 ASN OD1 1 1 17 7398 1 1 25 LYS C C -2.615 -1.047 -1.826 1.00 . A A . 25 LYS C 1 1 17 7399 1 1 25 LYS CA C -2.207 -2.106 -2.851 1.00 . A A . 25 LYS CA 1 1 17 7400 1 1 25 LYS CB C -3.416 -2.856 -3.393 1.00 . A A . 25 LYS CB 1 1 17 7401 1 1 25 LYS CD C -4.302 -4.164 -5.352 1.00 . A A . 25 LYS CD 1 1 17 7402 1 1 25 LYS CE C -4.212 -4.253 -6.886 1.00 . A A . 25 LYS CE 1 1 17 7403 1 1 25 LYS CG C -3.098 -3.369 -4.812 1.00 . A A . 25 LYS CG 1 1 17 7404 1 1 25 LYS H H -1.658 -3.417 -1.271 1.00 . A A . 25 LYS H 1 1 17 7405 1 1 25 LYS HA H -1.643 -1.624 -3.635 1.00 . A A . 25 LYS HA 1 1 17 7406 1 1 25 LYS HB2 H -3.647 -3.691 -2.747 1.00 . A A . 25 LYS HB2 1 1 17 7407 1 1 25 LYS HB3 H -4.262 -2.194 -3.396 1.00 . A A . 25 LYS HB3 1 1 17 7408 1 1 25 LYS HD2 H -4.300 -5.157 -4.928 1.00 . A A . 25 LYS HD2 1 1 17 7409 1 1 25 LYS HD3 H -5.227 -3.675 -5.078 1.00 . A A . 25 LYS HD3 1 1 17 7410 1 1 25 LYS HE2 H -4.584 -3.343 -7.335 1.00 . A A . 25 LYS HE2 1 1 17 7411 1 1 25 LYS HE3 H -3.189 -4.409 -7.202 1.00 . A A . 25 LYS HE3 1 1 17 7412 1 1 25 LYS HG2 H -2.884 -2.533 -5.461 1.00 . A A . 25 LYS HG2 1 1 17 7413 1 1 25 LYS HG3 H -2.228 -4.010 -4.785 1.00 . A A . 25 LYS HG3 1 1 17 7414 1 1 25 LYS HZ1 H -5.894 -5.477 -6.796 1.00 . A A . 25 LYS HZ1 1 1 17 7415 1 1 25 LYS HZ2 H -5.298 -5.229 -8.368 1.00 . A A . 25 LYS HZ2 1 1 17 7416 1 1 25 LYS HZ3 H -4.483 -6.274 -7.304 1.00 . A A . 25 LYS HZ3 1 1 17 7417 1 1 25 LYS N N -1.347 -3.087 -2.139 1.00 . A A . 25 LYS N 1 1 17 7418 1 1 25 LYS NZ N -5.035 -5.394 -7.376 1.00 . A A . 25 LYS NZ 1 1 17 7419 1 1 25 LYS O O -2.651 -1.331 -0.644 1.00 . A A . 25 LYS O 1 1 17 7420 1 1 26 CYS C C -4.664 0.927 -0.677 1.00 . A A . 26 CYS C 1 1 17 7421 1 1 26 CYS CA C -3.315 1.217 -1.339 1.00 . A A . 26 CYS CA 1 1 17 7422 1 1 26 CYS CB C -3.381 2.542 -2.102 1.00 . A A . 26 CYS CB 1 1 17 7423 1 1 26 CYS H H -2.885 0.341 -3.242 1.00 . A A . 26 CYS H 1 1 17 7424 1 1 26 CYS HA H -2.564 1.288 -0.568 1.00 . A A . 26 CYS HA 1 1 17 7425 1 1 26 CYS HB2 H -3.987 2.398 -2.980 1.00 . A A . 26 CYS HB2 1 1 17 7426 1 1 26 CYS HB3 H -3.883 3.264 -1.482 1.00 . A A . 26 CYS HB3 1 1 17 7427 1 1 26 CYS N N -2.915 0.142 -2.286 1.00 . A A . 26 CYS N 1 1 17 7428 1 1 26 CYS O O -5.379 0.019 -1.054 1.00 . A A . 26 CYS O 1 1 17 7429 1 1 26 CYS SG S -1.821 3.288 -2.635 1.00 . A A . 26 CYS SG 1 1 17 7430 1 1 27 VAL C C -6.993 2.960 0.994 1.00 . A A . 27 VAL C 1 1 17 7431 1 1 27 VAL CA C -6.212 1.630 1.090 1.00 . A A . 27 VAL CA 1 1 17 7432 1 1 27 VAL CB C -5.842 1.296 2.564 1.00 . A A . 27 VAL CB 1 1 17 7433 1 1 27 VAL CG1 C -7.123 1.050 3.395 1.00 . A A . 27 VAL CG1 1 1 17 7434 1 1 27 VAL CG2 C -4.972 0.014 2.597 1.00 . A A . 27 VAL CG2 1 1 17 7435 1 1 27 VAL H H -4.293 2.436 0.532 1.00 . A A . 27 VAL H 1 1 17 7436 1 1 27 VAL HA H -6.823 0.839 0.676 1.00 . A A . 27 VAL HA 1 1 17 7437 1 1 27 VAL HB H -5.287 2.120 2.990 1.00 . A A . 27 VAL HB 1 1 17 7438 1 1 27 VAL HG11 H -7.800 0.404 2.855 1.00 . A A . 27 VAL HG11 1 1 17 7439 1 1 27 VAL HG12 H -6.878 0.585 4.338 1.00 . A A . 27 VAL HG12 1 1 17 7440 1 1 27 VAL HG13 H -7.620 1.987 3.596 1.00 . A A . 27 VAL HG13 1 1 17 7441 1 1 27 VAL HG21 H -5.450 -0.770 2.027 1.00 . A A . 27 VAL HG21 1 1 17 7442 1 1 27 VAL HG22 H -4.001 0.208 2.169 1.00 . A A . 27 VAL HG22 1 1 17 7443 1 1 27 VAL HG23 H -4.836 -0.329 3.613 1.00 . A A . 27 VAL HG23 1 1 17 7444 1 1 27 VAL N N -4.944 1.738 0.306 1.00 . A A . 27 VAL N 1 1 17 7445 1 1 27 VAL O O -8.204 2.885 1.118 1.00 . A A . 27 VAL O 1 1 17 7446 1 1 27 VAL OXT O -6.344 3.977 0.802 1.00 . A A . 27 VAL OXT 1 1 18 7447 1 1 1 CYS C C -1.748 10.228 -4.360 1.00 . A A . 1 CYS C 1 1 18 7448 1 1 1 CYS CA C -0.980 11.247 -3.492 1.00 . A A . 1 CYS CA 1 1 18 7449 1 1 1 CYS CB C -1.928 12.105 -2.596 1.00 . A A . 1 CYS CB 1 1 18 7450 1 1 1 CYS H1 H 0.306 11.595 -5.092 1.00 . A A . 1 CYS H1 1 1 18 7451 1 1 1 CYS H2 H -1.011 12.667 -5.013 1.00 . A A . 1 CYS H2 1 1 18 7452 1 1 1 CYS H3 H 0.289 12.836 -3.933 1.00 . A A . 1 CYS H3 1 1 18 7453 1 1 1 CYS HA H -0.235 10.734 -2.901 1.00 . A A . 1 CYS HA 1 1 18 7454 1 1 1 CYS HB2 H -1.789 11.796 -1.574 1.00 . A A . 1 CYS HB2 1 1 18 7455 1 1 1 CYS HB3 H -1.589 13.129 -2.650 1.00 . A A . 1 CYS HB3 1 1 18 7456 1 1 1 CYS N N -0.297 12.155 -4.456 1.00 . A A . 1 CYS N 1 1 18 7457 1 1 1 CYS O O -2.694 10.580 -5.038 1.00 . A A . 1 CYS O 1 1 18 7458 1 1 1 CYS SG S -3.709 12.140 -2.923 1.00 . A A . 1 CYS SG 1 1 18 7459 1 1 2 ARG C C -3.321 7.461 -4.531 1.00 . A A . 2 ARG C 1 1 18 7460 1 1 2 ARG CA C -1.980 7.912 -5.126 1.00 . A A . 2 ARG CA 1 1 18 7461 1 1 2 ARG CB C -1.019 6.706 -5.225 1.00 . A A . 2 ARG CB 1 1 18 7462 1 1 2 ARG CD C 0.703 5.924 -6.913 1.00 . A A . 2 ARG CD 1 1 18 7463 1 1 2 ARG CG C 0.229 7.111 -6.052 1.00 . A A . 2 ARG CG 1 1 18 7464 1 1 2 ARG CZ C 0.463 5.536 -9.300 1.00 . A A . 2 ARG CZ 1 1 18 7465 1 1 2 ARG H H -0.549 8.763 -3.751 1.00 . A A . 2 ARG H 1 1 18 7466 1 1 2 ARG HA H -2.167 8.295 -6.119 1.00 . A A . 2 ARG HA 1 1 18 7467 1 1 2 ARG HB2 H -0.704 6.399 -4.241 1.00 . A A . 2 ARG HB2 1 1 18 7468 1 1 2 ARG HB3 H -1.529 5.876 -5.694 1.00 . A A . 2 ARG HB3 1 1 18 7469 1 1 2 ARG HD2 H 1.756 6.021 -7.137 1.00 . A A . 2 ARG HD2 1 1 18 7470 1 1 2 ARG HD3 H 0.536 4.984 -6.406 1.00 . A A . 2 ARG HD3 1 1 18 7471 1 1 2 ARG HE H -1.005 6.263 -8.180 1.00 . A A . 2 ARG HE 1 1 18 7472 1 1 2 ARG HG2 H -0.003 7.945 -6.699 1.00 . A A . 2 ARG HG2 1 1 18 7473 1 1 2 ARG HG3 H 1.021 7.412 -5.383 1.00 . A A . 2 ARG HG3 1 1 18 7474 1 1 2 ARG HH11 H 1.463 7.246 -9.571 1.00 . A A . 2 ARG HH11 1 1 18 7475 1 1 2 ARG HH12 H 1.692 6.042 -10.794 1.00 . A A . 2 ARG HH12 1 1 18 7476 1 1 2 ARG HH21 H -0.442 3.751 -9.234 1.00 . A A . 2 ARG HH21 1 1 18 7477 1 1 2 ARG HH22 H 0.589 4.018 -10.598 1.00 . A A . 2 ARG HH22 1 1 18 7478 1 1 2 ARG N N -1.315 8.990 -4.318 1.00 . A A . 2 ARG N 1 1 18 7479 1 1 2 ARG NE N -0.080 5.943 -8.184 1.00 . A A . 2 ARG NE 1 1 18 7480 1 1 2 ARG NH1 N 1.269 6.338 -9.938 1.00 . A A . 2 ARG NH1 1 1 18 7481 1 1 2 ARG NH2 N 0.181 4.342 -9.744 1.00 . A A . 2 ARG NH2 1 1 18 7482 1 1 2 ARG O O -3.550 7.575 -3.345 1.00 . A A . 2 ARG O 1 1 18 7483 1 1 3 ILE C C -5.428 5.183 -4.120 1.00 . A A . 3 ILE C 1 1 18 7484 1 1 3 ILE CA C -5.520 6.470 -4.966 1.00 . A A . 3 ILE CA 1 1 18 7485 1 1 3 ILE CB C -6.359 6.215 -6.246 1.00 . A A . 3 ILE CB 1 1 18 7486 1 1 3 ILE CD1 C -6.429 4.599 -8.199 1.00 . A A . 3 ILE CD1 1 1 18 7487 1 1 3 ILE CG1 C -5.518 5.439 -7.296 1.00 . A A . 3 ILE CG1 1 1 18 7488 1 1 3 ILE CG2 C -6.802 7.571 -6.835 1.00 . A A . 3 ILE CG2 1 1 18 7489 1 1 3 ILE H H -3.926 6.881 -6.335 1.00 . A A . 3 ILE H 1 1 18 7490 1 1 3 ILE HA H -5.981 7.245 -4.370 1.00 . A A . 3 ILE HA 1 1 18 7491 1 1 3 ILE HB H -7.228 5.633 -5.997 1.00 . A A . 3 ILE HB 1 1 18 7492 1 1 3 ILE HD11 H -7.317 5.154 -8.463 1.00 . A A . 3 ILE HD11 1 1 18 7493 1 1 3 ILE HD12 H -5.899 4.341 -9.104 1.00 . A A . 3 ILE HD12 1 1 18 7494 1 1 3 ILE HD13 H -6.715 3.691 -7.690 1.00 . A A . 3 ILE HD13 1 1 18 7495 1 1 3 ILE HG12 H -4.956 6.135 -7.902 1.00 . A A . 3 ILE HG12 1 1 18 7496 1 1 3 ILE HG13 H -4.824 4.778 -6.799 1.00 . A A . 3 ILE HG13 1 1 18 7497 1 1 3 ILE HG21 H -5.942 8.188 -7.049 1.00 . A A . 3 ILE HG21 1 1 18 7498 1 1 3 ILE HG22 H -7.356 7.417 -7.751 1.00 . A A . 3 ILE HG22 1 1 18 7499 1 1 3 ILE HG23 H -7.437 8.091 -6.133 1.00 . A A . 3 ILE HG23 1 1 18 7500 1 1 3 ILE N N -4.169 6.954 -5.389 1.00 . A A . 3 ILE N 1 1 18 7501 1 1 3 ILE O O -4.378 4.575 -4.062 1.00 . A A . 3 ILE O 1 1 18 7502 1 1 4 HYP C C -6.419 2.343 -4.020 1.00 . A A . 4 HYP C 1 1 18 7503 1 1 4 HYP CA C -6.696 3.418 -2.958 1.00 . A A . 4 HYP CA 1 1 18 7504 1 1 4 HYP CB C -8.140 3.345 -2.437 1.00 . A A . 4 HYP CB 1 1 18 7505 1 1 4 HYP CD C -7.688 5.688 -3.217 1.00 . A A . 4 HYP CD 1 1 18 7506 1 1 4 HYP CG C -8.670 4.805 -2.413 1.00 . A A . 4 HYP CG 1 1 18 7507 1 1 4 HYP HA H -6.012 3.275 -2.136 1.00 . A A . 4 HYP HA 1 1 18 7508 1 1 4 HYP HB2 H -8.166 2.895 -1.456 1.00 . A A . 4 HYP HB2 1 1 18 7509 1 1 4 HYP HB3 H -8.754 2.753 -3.100 1.00 . A A . 4 HYP HB3 1 1 18 7510 1 1 4 HYP HD1 H -8.043 6.025 -1.011 1.00 . A A . 4 HYP HD1 1 1 18 7511 1 1 4 HYP HD22 H -7.362 6.556 -2.664 1.00 . A A . 4 HYP HD22 1 1 18 7512 1 1 4 HYP HD23 H -8.140 5.995 -4.148 1.00 . A A . 4 HYP HD23 1 1 18 7513 1 1 4 HYP HG H -9.694 4.893 -2.747 1.00 . A A . 4 HYP HG 1 1 18 7514 1 1 4 HYP N N -6.521 4.801 -3.487 1.00 . A A . 4 HYP N 1 1 18 7515 1 1 4 HYP O O -6.315 2.646 -5.193 1.00 . A A . 4 HYP O 1 1 18 7516 1 1 4 HYP OD1 O -8.553 5.213 -1.057 1.00 . A A . 4 HYP OD1 1 1 18 7517 1 1 5 ASN C C -4.814 -0.022 -5.326 1.00 . A A . 5 ASN C 1 1 18 7518 1 1 5 ASN CA C -6.034 -0.094 -4.377 1.00 . A A . 5 ASN CA 1 1 18 7519 1 1 5 ASN CB C -7.326 -0.427 -5.203 1.00 . A A . 5 ASN CB 1 1 18 7520 1 1 5 ASN CG C -7.531 0.510 -6.404 1.00 . A A . 5 ASN CG 1 1 18 7521 1 1 5 ASN H H -6.406 1.007 -2.574 1.00 . A A . 5 ASN H 1 1 18 7522 1 1 5 ASN HA H -5.866 -0.911 -3.694 1.00 . A A . 5 ASN HA 1 1 18 7523 1 1 5 ASN HB2 H -7.262 -1.440 -5.572 1.00 . A A . 5 ASN HB2 1 1 18 7524 1 1 5 ASN HB3 H -8.194 -0.356 -4.561 1.00 . A A . 5 ASN HB3 1 1 18 7525 1 1 5 ASN HD21 H -9.096 1.420 -5.589 1.00 . A A . 5 ASN HD21 1 1 18 7526 1 1 5 ASN HD22 H -8.649 1.981 -7.128 1.00 . A A . 5 ASN HD22 1 1 18 7527 1 1 5 ASN N N -6.306 1.127 -3.542 1.00 . A A . 5 ASN N 1 1 18 7528 1 1 5 ASN ND2 N -8.507 1.375 -6.371 1.00 . A A . 5 ASN ND2 1 1 18 7529 1 1 5 ASN O O -4.533 -0.979 -6.021 1.00 . A A . 5 ASN O 1 1 18 7530 1 1 5 ASN OD1 O -6.809 0.466 -7.381 1.00 . A A . 5 ASN OD1 1 1 18 7531 1 1 6 GLN C C -1.779 0.373 -5.720 1.00 . A A . 6 GLN C 1 1 18 7532 1 1 6 GLN CA C -2.927 1.262 -6.212 1.00 . A A . 6 GLN CA 1 1 18 7533 1 1 6 GLN CB C -2.485 2.739 -6.187 1.00 . A A . 6 GLN CB 1 1 18 7534 1 1 6 GLN CD C -2.836 3.699 -8.478 1.00 . A A . 6 GLN CD 1 1 18 7535 1 1 6 GLN CG C -1.805 3.090 -7.521 1.00 . A A . 6 GLN CG 1 1 18 7536 1 1 6 GLN H H -4.394 1.832 -4.754 1.00 . A A . 6 GLN H 1 1 18 7537 1 1 6 GLN HA H -3.199 0.966 -7.216 1.00 . A A . 6 GLN HA 1 1 18 7538 1 1 6 GLN HB2 H -3.338 3.380 -6.023 1.00 . A A . 6 GLN HB2 1 1 18 7539 1 1 6 GLN HB3 H -1.781 2.910 -5.385 1.00 . A A . 6 GLN HB3 1 1 18 7540 1 1 6 GLN HE21 H -2.266 5.561 -8.102 1.00 . A A . 6 GLN HE21 1 1 18 7541 1 1 6 GLN HE22 H -3.532 5.402 -9.220 1.00 . A A . 6 GLN HE22 1 1 18 7542 1 1 6 GLN HG2 H -1.022 3.808 -7.347 1.00 . A A . 6 GLN HG2 1 1 18 7543 1 1 6 GLN HG3 H -1.373 2.216 -7.986 1.00 . A A . 6 GLN HG3 1 1 18 7544 1 1 6 GLN N N -4.124 1.092 -5.332 1.00 . A A . 6 GLN N 1 1 18 7545 1 1 6 GLN NE2 N -2.881 4.996 -8.612 1.00 . A A . 6 GLN NE2 1 1 18 7546 1 1 6 GLN O O -1.413 0.437 -4.563 1.00 . A A . 6 GLN O 1 1 18 7547 1 1 6 GLN OE1 O -3.605 3.003 -9.109 1.00 . A A . 6 GLN OE1 1 1 18 7548 1 1 7 LYS C C 1.062 -0.606 -5.616 1.00 . A A . 7 LYS C 1 1 18 7549 1 1 7 LYS CA C -0.124 -1.344 -6.269 1.00 . A A . 7 LYS CA 1 1 18 7550 1 1 7 LYS CB C 0.336 -2.061 -7.565 1.00 . A A . 7 LYS CB 1 1 18 7551 1 1 7 LYS CD C 0.745 -4.470 -6.855 1.00 . A A . 7 LYS CD 1 1 18 7552 1 1 7 LYS CE C 1.836 -5.520 -6.533 1.00 . A A . 7 LYS CE 1 1 18 7553 1 1 7 LYS CG C 1.416 -3.135 -7.245 1.00 . A A . 7 LYS CG 1 1 18 7554 1 1 7 LYS H H -1.598 -0.412 -7.533 1.00 . A A . 7 LYS H 1 1 18 7555 1 1 7 LYS HA H -0.501 -2.083 -5.579 1.00 . A A . 7 LYS HA 1 1 18 7556 1 1 7 LYS HB2 H -0.518 -2.529 -8.035 1.00 . A A . 7 LYS HB2 1 1 18 7557 1 1 7 LYS HB3 H 0.746 -1.338 -8.255 1.00 . A A . 7 LYS HB3 1 1 18 7558 1 1 7 LYS HD2 H 0.105 -4.322 -5.998 1.00 . A A . 7 LYS HD2 1 1 18 7559 1 1 7 LYS HD3 H 0.141 -4.824 -7.678 1.00 . A A . 7 LYS HD3 1 1 18 7560 1 1 7 LYS HE2 H 1.870 -6.268 -7.311 1.00 . A A . 7 LYS HE2 1 1 18 7561 1 1 7 LYS HE3 H 2.812 -5.065 -6.449 1.00 . A A . 7 LYS HE3 1 1 18 7562 1 1 7 LYS HG2 H 2.031 -3.287 -8.119 1.00 . A A . 7 LYS HG2 1 1 18 7563 1 1 7 LYS HG3 H 2.056 -2.807 -6.438 1.00 . A A . 7 LYS HG3 1 1 18 7564 1 1 7 LYS HZ1 H 0.842 -5.627 -4.709 1.00 . A A . 7 LYS HZ1 1 1 18 7565 1 1 7 LYS HZ2 H 1.123 -7.137 -5.432 1.00 . A A . 7 LYS HZ2 1 1 18 7566 1 1 7 LYS HZ3 H 2.400 -6.298 -4.691 1.00 . A A . 7 LYS HZ3 1 1 18 7567 1 1 7 LYS N N -1.250 -0.422 -6.618 1.00 . A A . 7 LYS N 1 1 18 7568 1 1 7 LYS NZ N 1.527 -6.197 -5.245 1.00 . A A . 7 LYS NZ 1 1 18 7569 1 1 7 LYS O O 1.882 -0.006 -6.286 1.00 . A A . 7 LYS O 1 1 18 7570 1 1 8 CYS C C 2.597 -1.025 -2.417 1.00 . A A . 8 CYS C 1 1 18 7571 1 1 8 CYS CA C 2.168 -0.040 -3.500 1.00 . A A . 8 CYS CA 1 1 18 7572 1 1 8 CYS CB C 1.619 1.230 -2.866 1.00 . A A . 8 CYS CB 1 1 18 7573 1 1 8 CYS H H 0.387 -1.189 -3.851 1.00 . A A . 8 CYS H 1 1 18 7574 1 1 8 CYS HA H 3.017 0.187 -4.129 1.00 . A A . 8 CYS HA 1 1 18 7575 1 1 8 CYS HB2 H 2.410 1.690 -2.292 1.00 . A A . 8 CYS HB2 1 1 18 7576 1 1 8 CYS HB3 H 1.362 1.915 -3.662 1.00 . A A . 8 CYS HB3 1 1 18 7577 1 1 8 CYS N N 1.093 -0.688 -4.311 1.00 . A A . 8 CYS N 1 1 18 7578 1 1 8 CYS O O 1.773 -1.668 -1.799 1.00 . A A . 8 CYS O 1 1 18 7579 1 1 8 CYS SG S 0.172 1.094 -1.787 1.00 . A A . 8 CYS SG 1 1 18 7580 1 1 9 PHE C C 4.494 -1.323 0.164 1.00 . A A . 9 PHE C 1 1 18 7581 1 1 9 PHE CA C 4.427 -2.039 -1.185 1.00 . A A . 9 PHE CA 1 1 18 7582 1 1 9 PHE CB C 5.831 -2.499 -1.630 1.00 . A A . 9 PHE CB 1 1 18 7583 1 1 9 PHE CD1 C 5.700 -2.276 -4.165 1.00 . A A . 9 PHE CD1 1 1 18 7584 1 1 9 PHE CD2 C 5.743 -4.470 -3.238 1.00 . A A . 9 PHE CD2 1 1 18 7585 1 1 9 PHE CE1 C 5.630 -2.809 -5.434 1.00 . A A . 9 PHE CE1 1 1 18 7586 1 1 9 PHE CE2 C 5.675 -5.005 -4.509 1.00 . A A . 9 PHE CE2 1 1 18 7587 1 1 9 PHE CG C 5.757 -3.099 -3.051 1.00 . A A . 9 PHE CG 1 1 18 7588 1 1 9 PHE CZ C 5.618 -4.175 -5.609 1.00 . A A . 9 PHE CZ 1 1 18 7589 1 1 9 PHE H H 4.497 -0.550 -2.740 1.00 . A A . 9 PHE H 1 1 18 7590 1 1 9 PHE HA H 3.775 -2.897 -1.098 1.00 . A A . 9 PHE HA 1 1 18 7591 1 1 9 PHE HB2 H 6.513 -1.665 -1.630 1.00 . A A . 9 PHE HB2 1 1 18 7592 1 1 9 PHE HB3 H 6.206 -3.252 -0.949 1.00 . A A . 9 PHE HB3 1 1 18 7593 1 1 9 PHE HD1 H 5.708 -1.204 -4.043 1.00 . A A . 9 PHE HD1 1 1 18 7594 1 1 9 PHE HD2 H 5.788 -5.131 -2.384 1.00 . A A . 9 PHE HD2 1 1 18 7595 1 1 9 PHE HE1 H 5.585 -2.155 -6.292 1.00 . A A . 9 PHE HE1 1 1 18 7596 1 1 9 PHE HE2 H 5.665 -6.076 -4.644 1.00 . A A . 9 PHE HE2 1 1 18 7597 1 1 9 PHE HZ H 5.563 -4.593 -6.602 1.00 . A A . 9 PHE HZ 1 1 18 7598 1 1 9 PHE N N 3.884 -1.105 -2.215 1.00 . A A . 9 PHE N 1 1 18 7599 1 1 9 PHE O O 4.599 -0.113 0.231 1.00 . A A . 9 PHE O 1 1 18 7600 1 1 10 GLN C C 5.621 -0.675 2.903 1.00 . A A . 10 GLN C 1 1 18 7601 1 1 10 GLN CA C 4.468 -1.650 2.606 1.00 . A A . 10 GLN CA 1 1 18 7602 1 1 10 GLN CB C 4.578 -2.883 3.546 1.00 . A A . 10 GLN CB 1 1 18 7603 1 1 10 GLN CD C 2.306 -3.601 2.596 1.00 . A A . 10 GLN CD 1 1 18 7604 1 1 10 GLN CG C 3.690 -4.077 3.068 1.00 . A A . 10 GLN CG 1 1 18 7605 1 1 10 GLN H H 4.338 -3.090 1.030 1.00 . A A . 10 GLN H 1 1 18 7606 1 1 10 GLN HA H 3.536 -1.146 2.799 1.00 . A A . 10 GLN HA 1 1 18 7607 1 1 10 GLN HB2 H 5.606 -3.214 3.586 1.00 . A A . 10 GLN HB2 1 1 18 7608 1 1 10 GLN HB3 H 4.276 -2.597 4.543 1.00 . A A . 10 GLN HB3 1 1 18 7609 1 1 10 GLN HE21 H 2.553 -4.294 0.751 1.00 . A A . 10 GLN HE21 1 1 18 7610 1 1 10 GLN HE22 H 1.068 -3.527 1.049 1.00 . A A . 10 GLN HE22 1 1 18 7611 1 1 10 GLN HG2 H 4.179 -4.595 2.256 1.00 . A A . 10 GLN HG2 1 1 18 7612 1 1 10 GLN HG3 H 3.549 -4.770 3.884 1.00 . A A . 10 GLN HG3 1 1 18 7613 1 1 10 GLN N N 4.425 -2.130 1.191 1.00 . A A . 10 GLN N 1 1 18 7614 1 1 10 GLN NE2 N 1.946 -3.826 1.363 1.00 . A A . 10 GLN NE2 1 1 18 7615 1 1 10 GLN O O 5.590 0.019 3.901 1.00 . A A . 10 GLN O 1 1 18 7616 1 1 10 GLN OE1 O 1.544 -3.024 3.342 1.00 . A A . 10 GLN OE1 1 1 18 7617 1 1 11 HIS C C 7.480 1.569 1.486 1.00 . A A . 11 HIS C 1 1 18 7618 1 1 11 HIS CA C 7.776 0.245 2.197 1.00 . A A . 11 HIS CA 1 1 18 7619 1 1 11 HIS CB C 9.016 -0.417 1.575 1.00 . A A . 11 HIS CB 1 1 18 7620 1 1 11 HIS CD2 C 8.809 -2.888 2.513 1.00 . A A . 11 HIS CD2 1 1 18 7621 1 1 11 HIS CE1 C 10.502 -2.896 3.710 1.00 . A A . 11 HIS CE1 1 1 18 7622 1 1 11 HIS CG C 9.413 -1.647 2.395 1.00 . A A . 11 HIS CG 1 1 18 7623 1 1 11 HIS H H 6.558 -1.251 1.254 1.00 . A A . 11 HIS H 1 1 18 7624 1 1 11 HIS HA H 7.942 0.439 3.245 1.00 . A A . 11 HIS HA 1 1 18 7625 1 1 11 HIS HB2 H 8.808 -0.732 0.562 1.00 . A A . 11 HIS HB2 1 1 18 7626 1 1 11 HIS HB3 H 9.846 0.274 1.565 1.00 . A A . 11 HIS HB3 1 1 18 7627 1 1 11 HIS HD1 H 11.101 -1.004 3.303 1.00 . A A . 11 HIS HD1 1 1 18 7628 1 1 11 HIS HD2 H 7.903 -3.186 2.005 1.00 . A A . 11 HIS HD2 1 1 18 7629 1 1 11 HIS HE1 H 11.277 -3.209 4.393 1.00 . A A . 11 HIS HE1 1 1 18 7630 1 1 11 HIS N N 6.598 -0.658 2.032 1.00 . A A . 11 HIS N 1 1 18 7631 1 1 11 HIS ND1 N 10.451 -1.724 3.160 1.00 . A A . 11 HIS ND1 1 1 18 7632 1 1 11 HIS NE2 N 9.500 -3.653 3.335 1.00 . A A . 11 HIS NE2 1 1 18 7633 1 1 11 HIS O O 7.528 2.624 2.090 1.00 . A A . 11 HIS O 1 1 18 7634 1 1 12 LEU C C 5.351 2.893 -0.689 1.00 . A A . 12 LEU C 1 1 18 7635 1 1 12 LEU CA C 6.866 2.659 -0.614 1.00 . A A . 12 LEU CA 1 1 18 7636 1 1 12 LEU CB C 7.468 2.460 -2.037 1.00 . A A . 12 LEU CB 1 1 18 7637 1 1 12 LEU CD1 C 6.655 1.355 -4.183 1.00 . A A . 12 LEU CD1 1 1 18 7638 1 1 12 LEU CD2 C 8.190 0.099 -2.620 1.00 . A A . 12 LEU CD2 1 1 18 7639 1 1 12 LEU CG C 7.023 1.110 -2.693 1.00 . A A . 12 LEU CG 1 1 18 7640 1 1 12 LEU H H 7.158 0.565 -0.188 1.00 . A A . 12 LEU H 1 1 18 7641 1 1 12 LEU HA H 7.322 3.531 -0.167 1.00 . A A . 12 LEU HA 1 1 18 7642 1 1 12 LEU HB2 H 7.158 3.294 -2.651 1.00 . A A . 12 LEU HB2 1 1 18 7643 1 1 12 LEU HB3 H 8.545 2.498 -1.960 1.00 . A A . 12 LEU HB3 1 1 18 7644 1 1 12 LEU HD11 H 7.149 2.238 -4.563 1.00 . A A . 12 LEU HD11 1 1 18 7645 1 1 12 LEU HD12 H 6.951 0.513 -4.794 1.00 . A A . 12 LEU HD12 1 1 18 7646 1 1 12 LEU HD13 H 5.586 1.488 -4.277 1.00 . A A . 12 LEU HD13 1 1 18 7647 1 1 12 LEU HD21 H 9.066 0.497 -3.111 1.00 . A A . 12 LEU HD21 1 1 18 7648 1 1 12 LEU HD22 H 8.436 -0.113 -1.590 1.00 . A A . 12 LEU HD22 1 1 18 7649 1 1 12 LEU HD23 H 7.916 -0.826 -3.106 1.00 . A A . 12 LEU HD23 1 1 18 7650 1 1 12 LEU HG H 6.166 0.701 -2.178 1.00 . A A . 12 LEU HG 1 1 18 7651 1 1 12 LEU N N 7.179 1.457 0.217 1.00 . A A . 12 LEU N 1 1 18 7652 1 1 12 LEU O O 4.731 2.810 -1.731 1.00 . A A . 12 LEU O 1 1 18 7653 1 1 13 ASP C C 3.132 4.927 0.249 1.00 . A A . 13 ASP C 1 1 18 7654 1 1 13 ASP CA C 3.344 3.446 0.593 1.00 . A A . 13 ASP CA 1 1 18 7655 1 1 13 ASP CB C 2.888 3.123 2.054 1.00 . A A . 13 ASP CB 1 1 18 7656 1 1 13 ASP CG C 3.993 3.468 3.073 1.00 . A A . 13 ASP CG 1 1 18 7657 1 1 13 ASP H H 5.382 3.221 1.259 1.00 . A A . 13 ASP H 1 1 18 7658 1 1 13 ASP HA H 2.807 2.838 -0.118 1.00 . A A . 13 ASP HA 1 1 18 7659 1 1 13 ASP HB2 H 1.992 3.676 2.297 1.00 . A A . 13 ASP HB2 1 1 18 7660 1 1 13 ASP HB3 H 2.661 2.069 2.133 1.00 . A A . 13 ASP HB3 1 1 18 7661 1 1 13 ASP N N 4.809 3.180 0.465 1.00 . A A . 13 ASP N 1 1 18 7662 1 1 13 ASP O O 2.991 5.776 1.107 1.00 . A A . 13 ASP O 1 1 18 7663 1 1 13 ASP OD1 O 4.828 2.603 3.282 1.00 . A A . 13 ASP OD1 1 1 18 7664 1 1 13 ASP OD2 O 3.944 4.574 3.584 1.00 . A A . 13 ASP OD2 1 1 18 7665 1 1 14 ASP C C 1.443 6.877 -1.816 1.00 . A A . 14 ASP C 1 1 18 7666 1 1 14 ASP CA C 2.930 6.539 -1.603 1.00 . A A . 14 ASP CA 1 1 18 7667 1 1 14 ASP CB C 3.705 6.586 -2.936 1.00 . A A . 14 ASP CB 1 1 18 7668 1 1 14 ASP CG C 3.372 5.338 -3.787 1.00 . A A . 14 ASP CG 1 1 18 7669 1 1 14 ASP H H 3.231 4.428 -1.666 1.00 . A A . 14 ASP H 1 1 18 7670 1 1 14 ASP HA H 3.350 7.263 -0.921 1.00 . A A . 14 ASP HA 1 1 18 7671 1 1 14 ASP HB2 H 3.437 7.465 -3.493 1.00 . A A . 14 ASP HB2 1 1 18 7672 1 1 14 ASP HB3 H 4.767 6.613 -2.737 1.00 . A A . 14 ASP HB3 1 1 18 7673 1 1 14 ASP N N 3.115 5.168 -1.037 1.00 . A A . 14 ASP N 1 1 18 7674 1 1 14 ASP O O 1.099 7.719 -2.623 1.00 . A A . 14 ASP O 1 1 18 7675 1 1 14 ASP OD1 O 2.236 5.262 -4.231 1.00 . A A . 14 ASP OD1 1 1 18 7676 1 1 14 ASP OD2 O 4.270 4.528 -3.942 1.00 . A A . 14 ASP OD2 1 1 18 7677 1 1 15 CYS C C -1.252 7.747 -0.528 1.00 . A A . 15 CYS C 1 1 18 7678 1 1 15 CYS CA C -0.862 6.418 -1.169 1.00 . A A . 15 CYS CA 1 1 18 7679 1 1 15 CYS CB C -1.542 5.260 -0.463 1.00 . A A . 15 CYS CB 1 1 18 7680 1 1 15 CYS H H 0.936 5.532 -0.440 1.00 . A A . 15 CYS H 1 1 18 7681 1 1 15 CYS HA H -1.153 6.431 -2.207 1.00 . A A . 15 CYS HA 1 1 18 7682 1 1 15 CYS HB2 H -1.440 5.390 0.604 1.00 . A A . 15 CYS HB2 1 1 18 7683 1 1 15 CYS HB3 H -2.592 5.275 -0.691 1.00 . A A . 15 CYS HB3 1 1 18 7684 1 1 15 CYS N N 0.606 6.200 -1.074 1.00 . A A . 15 CYS N 1 1 18 7685 1 1 15 CYS O O -0.489 8.320 0.228 1.00 . A A . 15 CYS O 1 1 18 7686 1 1 15 CYS SG S -0.901 3.619 -0.862 1.00 . A A . 15 CYS SG 1 1 18 7687 1 1 16 CYS C C -3.181 9.206 1.201 1.00 . A A . 16 CYS C 1 1 18 7688 1 1 16 CYS CA C -2.936 9.482 -0.287 1.00 . A A . 16 CYS CA 1 1 18 7689 1 1 16 CYS CB C -4.239 9.883 -1.006 1.00 . A A . 16 CYS CB 1 1 18 7690 1 1 16 CYS H H -2.995 7.683 -1.472 1.00 . A A . 16 CYS H 1 1 18 7691 1 1 16 CYS HA H -2.172 10.236 -0.384 1.00 . A A . 16 CYS HA 1 1 18 7692 1 1 16 CYS HB2 H -4.219 9.489 -2.010 1.00 . A A . 16 CYS HB2 1 1 18 7693 1 1 16 CYS HB3 H -5.085 9.441 -0.499 1.00 . A A . 16 CYS HB3 1 1 18 7694 1 1 16 CYS N N -2.437 8.196 -0.854 1.00 . A A . 16 CYS N 1 1 18 7695 1 1 16 CYS O O -2.987 10.058 2.046 1.00 . A A . 16 CYS O 1 1 18 7696 1 1 16 CYS SG S -4.535 11.662 -1.141 1.00 . A A . 16 CYS SG 1 1 18 7697 1 1 17 SER C C -2.545 7.111 3.462 1.00 . A A . 17 SER C 1 1 18 7698 1 1 17 SER CA C -3.895 7.506 2.821 1.00 . A A . 17 SER CA 1 1 18 7699 1 1 17 SER CB C -4.828 6.296 2.705 1.00 . A A . 17 SER CB 1 1 18 7700 1 1 17 SER H H -3.747 7.364 0.710 1.00 . A A . 17 SER H 1 1 18 7701 1 1 17 SER HA H -4.353 8.297 3.399 1.00 . A A . 17 SER HA 1 1 18 7702 1 1 17 SER HB2 H -5.087 5.910 3.672 1.00 . A A . 17 SER HB2 1 1 18 7703 1 1 17 SER HB3 H -5.721 6.537 2.146 1.00 . A A . 17 SER HB3 1 1 18 7704 1 1 17 SER HG H -4.593 4.513 1.959 1.00 . A A . 17 SER HG 1 1 18 7705 1 1 17 SER N N -3.606 7.991 1.448 1.00 . A A . 17 SER N 1 1 18 7706 1 1 17 SER O O -2.459 6.886 4.654 1.00 . A A . 17 SER O 1 1 18 7707 1 1 17 SER OG O -4.076 5.320 1.994 1.00 . A A . 17 SER OG 1 1 18 7708 1 1 18 ARG C C -0.116 5.268 3.628 1.00 . A A . 18 ARG C 1 1 18 7709 1 1 18 ARG CA C -0.144 6.681 3.019 1.00 . A A . 18 ARG CA 1 1 18 7710 1 1 18 ARG CB C 0.366 7.754 4.042 1.00 . A A . 18 ARG CB 1 1 18 7711 1 1 18 ARG CD C 2.842 7.646 3.601 1.00 . A A . 18 ARG CD 1 1 18 7712 1 1 18 ARG CG C 1.579 8.509 3.454 1.00 . A A . 18 ARG CG 1 1 18 7713 1 1 18 ARG CZ C 4.917 8.615 2.808 1.00 . A A . 18 ARG CZ 1 1 18 7714 1 1 18 ARG H H -1.707 7.241 1.672 1.00 . A A . 18 ARG H 1 1 18 7715 1 1 18 ARG HA H 0.469 6.671 2.130 1.00 . A A . 18 ARG HA 1 1 18 7716 1 1 18 ARG HB2 H -0.411 8.478 4.239 1.00 . A A . 18 ARG HB2 1 1 18 7717 1 1 18 ARG HB3 H 0.637 7.298 4.983 1.00 . A A . 18 ARG HB3 1 1 18 7718 1 1 18 ARG HD2 H 3.305 7.809 4.564 1.00 . A A . 18 ARG HD2 1 1 18 7719 1 1 18 ARG HD3 H 2.596 6.603 3.499 1.00 . A A . 18 ARG HD3 1 1 18 7720 1 1 18 ARG HE H 3.580 7.812 1.580 1.00 . A A . 18 ARG HE 1 1 18 7721 1 1 18 ARG HG2 H 1.405 8.739 2.413 1.00 . A A . 18 ARG HG2 1 1 18 7722 1 1 18 ARG HG3 H 1.718 9.437 3.989 1.00 . A A . 18 ARG HG3 1 1 18 7723 1 1 18 ARG HH11 H 5.805 6.918 3.386 1.00 . A A . 18 ARG HH11 1 1 18 7724 1 1 18 ARG HH12 H 6.777 8.349 3.497 1.00 . A A . 18 ARG HH12 1 1 18 7725 1 1 18 ARG HH21 H 4.219 10.414 2.278 1.00 . A A . 18 ARG HH21 1 1 18 7726 1 1 18 ARG HH22 H 5.853 10.385 2.851 1.00 . A A . 18 ARG HH22 1 1 18 7727 1 1 18 ARG N N -1.538 7.045 2.616 1.00 . A A . 18 ARG N 1 1 18 7728 1 1 18 ARG NE N 3.795 8.017 2.513 1.00 . A A . 18 ARG NE 1 1 18 7729 1 1 18 ARG NH1 N 5.910 7.906 3.267 1.00 . A A . 18 ARG NH1 1 1 18 7730 1 1 18 ARG NH2 N 5.004 9.906 2.632 1.00 . A A . 18 ARG NH2 1 1 18 7731 1 1 18 ARG O O 0.800 4.910 4.344 1.00 . A A . 18 ARG O 1 1 18 7732 1 1 19 LYS C C -1.547 2.146 2.645 1.00 . A A . 19 LYS C 1 1 18 7733 1 1 19 LYS CA C -1.285 3.120 3.800 1.00 . A A . 19 LYS CA 1 1 18 7734 1 1 19 LYS CB C -2.452 3.109 4.781 1.00 . A A . 19 LYS CB 1 1 18 7735 1 1 19 LYS CD C -3.177 3.876 7.060 1.00 . A A . 19 LYS CD 1 1 18 7736 1 1 19 LYS CE C -2.690 4.446 8.403 1.00 . A A . 19 LYS CE 1 1 18 7737 1 1 19 LYS CG C -1.962 3.485 6.193 1.00 . A A . 19 LYS CG 1 1 18 7738 1 1 19 LYS H H -1.843 4.859 2.718 1.00 . A A . 19 LYS H 1 1 18 7739 1 1 19 LYS HA H -0.375 2.817 4.299 1.00 . A A . 19 LYS HA 1 1 18 7740 1 1 19 LYS HB2 H -3.198 3.819 4.452 1.00 . A A . 19 LYS HB2 1 1 18 7741 1 1 19 LYS HB3 H -2.904 2.135 4.780 1.00 . A A . 19 LYS HB3 1 1 18 7742 1 1 19 LYS HD2 H -3.774 4.618 6.549 1.00 . A A . 19 LYS HD2 1 1 18 7743 1 1 19 LYS HD3 H -3.791 3.005 7.238 1.00 . A A . 19 LYS HD3 1 1 18 7744 1 1 19 LYS HE2 H -3.485 4.405 9.132 1.00 . A A . 19 LYS HE2 1 1 18 7745 1 1 19 LYS HE3 H -1.846 3.883 8.775 1.00 . A A . 19 LYS HE3 1 1 18 7746 1 1 19 LYS HG2 H -1.454 2.642 6.636 1.00 . A A . 19 LYS HG2 1 1 18 7747 1 1 19 LYS HG3 H -1.273 4.316 6.137 1.00 . A A . 19 LYS HG3 1 1 18 7748 1 1 19 LYS HZ1 H -2.998 6.373 7.678 1.00 . A A . 19 LYS HZ1 1 1 18 7749 1 1 19 LYS HZ2 H -2.180 6.314 9.165 1.00 . A A . 19 LYS HZ2 1 1 18 7750 1 1 19 LYS HZ3 H -1.366 5.907 7.732 1.00 . A A . 19 LYS HZ3 1 1 18 7751 1 1 19 LYS N N -1.138 4.514 3.304 1.00 . A A . 19 LYS N 1 1 18 7752 1 1 19 LYS NZ N -2.277 5.868 8.231 1.00 . A A . 19 LYS NZ 1 1 18 7753 1 1 19 LYS O O -2.339 2.426 1.766 1.00 . A A . 19 LYS O 1 1 18 7754 1 1 20 CYS C C -1.392 -1.303 2.425 1.00 . A A . 20 CYS C 1 1 18 7755 1 1 20 CYS CA C -0.982 -0.031 1.677 1.00 . A A . 20 CYS CA 1 1 18 7756 1 1 20 CYS CB C 0.375 -0.161 1.010 1.00 . A A . 20 CYS CB 1 1 18 7757 1 1 20 CYS H H -0.224 0.866 3.421 1.00 . A A . 20 CYS H 1 1 18 7758 1 1 20 CYS HA H -1.747 0.240 0.970 1.00 . A A . 20 CYS HA 1 1 18 7759 1 1 20 CYS HB2 H 1.121 -0.361 1.765 1.00 . A A . 20 CYS HB2 1 1 18 7760 1 1 20 CYS HB3 H 0.339 -1.007 0.359 1.00 . A A . 20 CYS HB3 1 1 18 7761 1 1 20 CYS N N -0.859 1.034 2.699 1.00 . A A . 20 CYS N 1 1 18 7762 1 1 20 CYS O O -0.755 -1.667 3.395 1.00 . A A . 20 CYS O 1 1 18 7763 1 1 20 CYS SG S 0.896 1.305 0.087 1.00 . A A . 20 CYS SG 1 1 18 7764 1 1 21 ASN C C -2.073 -4.441 2.286 1.00 . A A . 21 ASN C 1 1 18 7765 1 1 21 ASN CA C -2.904 -3.193 2.652 1.00 . A A . 21 ASN CA 1 1 18 7766 1 1 21 ASN CB C -4.399 -3.401 2.297 1.00 . A A . 21 ASN CB 1 1 18 7767 1 1 21 ASN CG C -4.557 -3.737 0.816 1.00 . A A . 21 ASN CG 1 1 18 7768 1 1 21 ASN H H -2.921 -1.608 1.186 1.00 . A A . 21 ASN H 1 1 18 7769 1 1 21 ASN HA H -2.831 -3.045 3.720 1.00 . A A . 21 ASN HA 1 1 18 7770 1 1 21 ASN HB2 H -4.818 -4.205 2.886 1.00 . A A . 21 ASN HB2 1 1 18 7771 1 1 21 ASN HB3 H -4.955 -2.500 2.508 1.00 . A A . 21 ASN HB3 1 1 18 7772 1 1 21 ASN HD21 H -4.253 -1.860 0.237 1.00 . A A . 21 ASN HD21 1 1 18 7773 1 1 21 ASN HD22 H -4.537 -2.983 -1.004 1.00 . A A . 21 ASN HD22 1 1 18 7774 1 1 21 ASN N N -2.440 -1.945 1.970 1.00 . A A . 21 ASN N 1 1 18 7775 1 1 21 ASN ND2 N -4.439 -2.778 -0.055 1.00 . A A . 21 ASN ND2 1 1 18 7776 1 1 21 ASN O O -1.044 -4.356 1.644 1.00 . A A . 21 ASN O 1 1 18 7777 1 1 21 ASN OD1 O -4.787 -4.868 0.439 1.00 . A A . 21 ASN OD1 1 1 18 7778 1 1 22 ARG C C -1.690 -7.314 1.066 1.00 . A A . 22 ARG C 1 1 18 7779 1 1 22 ARG CA C -1.976 -6.902 2.516 1.00 . A A . 22 ARG CA 1 1 18 7780 1 1 22 ARG CB C -2.904 -7.946 3.173 1.00 . A A . 22 ARG CB 1 1 18 7781 1 1 22 ARG CD C -5.157 -9.086 2.900 1.00 . A A . 22 ARG CD 1 1 18 7782 1 1 22 ARG CG C -4.364 -7.784 2.666 1.00 . A A . 22 ARG CG 1 1 18 7783 1 1 22 ARG CZ C -6.035 -8.904 5.155 1.00 . A A . 22 ARG CZ 1 1 18 7784 1 1 22 ARG H H -3.424 -5.523 3.224 1.00 . A A . 22 ARG H 1 1 18 7785 1 1 22 ARG HA H -1.043 -6.901 3.054 1.00 . A A . 22 ARG HA 1 1 18 7786 1 1 22 ARG HB2 H -2.541 -8.934 2.946 1.00 . A A . 22 ARG HB2 1 1 18 7787 1 1 22 ARG HB3 H -2.881 -7.814 4.246 1.00 . A A . 22 ARG HB3 1 1 18 7788 1 1 22 ARG HD2 H -6.181 -8.964 2.577 1.00 . A A . 22 ARG HD2 1 1 18 7789 1 1 22 ARG HD3 H -4.709 -9.902 2.352 1.00 . A A . 22 ARG HD3 1 1 18 7790 1 1 22 ARG HE H -4.457 -10.026 4.710 1.00 . A A . 22 ARG HE 1 1 18 7791 1 1 22 ARG HG2 H -4.844 -6.971 3.192 1.00 . A A . 22 ARG HG2 1 1 18 7792 1 1 22 ARG HG3 H -4.374 -7.556 1.611 1.00 . A A . 22 ARG HG3 1 1 18 7793 1 1 22 ARG HH11 H -5.100 -7.138 5.249 1.00 . A A . 22 ARG HH11 1 1 18 7794 1 1 22 ARG HH12 H -6.565 -7.260 6.168 1.00 . A A . 22 ARG HH12 1 1 18 7795 1 1 22 ARG HH21 H -7.127 -10.581 5.201 1.00 . A A . 22 ARG HH21 1 1 18 7796 1 1 22 ARG HH22 H -7.740 -9.261 6.140 1.00 . A A . 22 ARG HH22 1 1 18 7797 1 1 22 ARG N N -2.587 -5.559 2.727 1.00 . A A . 22 ARG N 1 1 18 7798 1 1 22 ARG NE N -5.140 -9.420 4.356 1.00 . A A . 22 ARG NE 1 1 18 7799 1 1 22 ARG NH1 N -5.889 -7.671 5.555 1.00 . A A . 22 ARG NH1 1 1 18 7800 1 1 22 ARG NH2 N -7.046 -9.640 5.527 1.00 . A A . 22 ARG NH2 1 1 18 7801 1 1 22 ARG O O -0.783 -8.086 0.826 1.00 . A A . 22 ARG O 1 1 18 7802 1 1 23 PHE C C -1.271 -6.170 -1.946 1.00 . A A . 23 PHE C 1 1 18 7803 1 1 23 PHE CA C -2.266 -7.137 -1.294 1.00 . A A . 23 PHE CA 1 1 18 7804 1 1 23 PHE CB C -3.636 -7.048 -1.977 1.00 . A A . 23 PHE CB 1 1 18 7805 1 1 23 PHE CD1 C -4.414 -9.299 -1.056 1.00 . A A . 23 PHE CD1 1 1 18 7806 1 1 23 PHE CD2 C -5.904 -7.445 -0.915 1.00 . A A . 23 PHE CD2 1 1 18 7807 1 1 23 PHE CE1 C -5.358 -10.102 -0.450 1.00 . A A . 23 PHE CE1 1 1 18 7808 1 1 23 PHE CE2 C -6.847 -8.248 -0.309 1.00 . A A . 23 PHE CE2 1 1 18 7809 1 1 23 PHE CG C -4.678 -7.960 -1.295 1.00 . A A . 23 PHE CG 1 1 18 7810 1 1 23 PHE CZ C -6.575 -9.578 -0.076 1.00 . A A . 23 PHE CZ 1 1 18 7811 1 1 23 PHE H H -3.177 -6.176 0.372 1.00 . A A . 23 PHE H 1 1 18 7812 1 1 23 PHE HA H -1.875 -8.140 -1.380 1.00 . A A . 23 PHE HA 1 1 18 7813 1 1 23 PHE HB2 H -3.992 -6.029 -1.951 1.00 . A A . 23 PHE HB2 1 1 18 7814 1 1 23 PHE HB3 H -3.539 -7.349 -3.001 1.00 . A A . 23 PHE HB3 1 1 18 7815 1 1 23 PHE HD1 H -3.464 -9.724 -1.345 1.00 . A A . 23 PHE HD1 1 1 18 7816 1 1 23 PHE HD2 H -6.132 -6.403 -1.093 1.00 . A A . 23 PHE HD2 1 1 18 7817 1 1 23 PHE HE1 H -5.143 -11.145 -0.267 1.00 . A A . 23 PHE HE1 1 1 18 7818 1 1 23 PHE HE2 H -7.801 -7.834 -0.016 1.00 . A A . 23 PHE HE2 1 1 18 7819 1 1 23 PHE HZ H -7.314 -10.207 0.399 1.00 . A A . 23 PHE HZ 1 1 18 7820 1 1 23 PHE N N -2.459 -6.796 0.143 1.00 . A A . 23 PHE N 1 1 18 7821 1 1 23 PHE O O -1.229 -6.057 -3.156 1.00 . A A . 23 PHE O 1 1 18 7822 1 1 24 ASN C C -0.148 -3.560 -2.584 1.00 . A A . 24 ASN C 1 1 18 7823 1 1 24 ASN CA C 0.523 -4.525 -1.602 1.00 . A A . 24 ASN CA 1 1 18 7824 1 1 24 ASN CB C 1.683 -5.298 -2.270 1.00 . A A . 24 ASN CB 1 1 18 7825 1 1 24 ASN CG C 2.524 -5.957 -1.175 1.00 . A A . 24 ASN CG 1 1 18 7826 1 1 24 ASN H H -0.585 -5.660 -0.154 1.00 . A A . 24 ASN H 1 1 18 7827 1 1 24 ASN HA H 0.879 -3.952 -0.761 1.00 . A A . 24 ASN HA 1 1 18 7828 1 1 24 ASN HB2 H 1.300 -6.071 -2.915 1.00 . A A . 24 ASN HB2 1 1 18 7829 1 1 24 ASN HB3 H 2.312 -4.630 -2.841 1.00 . A A . 24 ASN HB3 1 1 18 7830 1 1 24 ASN HD21 H 1.153 -7.343 -0.801 1.00 . A A . 24 ASN HD21 1 1 18 7831 1 1 24 ASN HD22 H 2.561 -7.441 0.143 1.00 . A A . 24 ASN HD22 1 1 18 7832 1 1 24 ASN N N -0.496 -5.509 -1.117 1.00 . A A . 24 ASN N 1 1 18 7833 1 1 24 ASN ND2 N 2.040 -7.001 -0.559 1.00 . A A . 24 ASN ND2 1 1 18 7834 1 1 24 ASN O O 0.362 -3.240 -3.639 1.00 . A A . 24 ASN O 1 1 18 7835 1 1 24 ASN OD1 O 3.621 -5.532 -0.871 1.00 . A A . 24 ASN OD1 1 1 18 7836 1 1 25 LYS C C -2.462 -1.056 -1.910 1.00 . A A . 25 LYS C 1 1 18 7837 1 1 25 LYS CA C -2.187 -2.206 -2.884 1.00 . A A . 25 LYS CA 1 1 18 7838 1 1 25 LYS CB C -3.472 -2.938 -3.255 1.00 . A A . 25 LYS CB 1 1 18 7839 1 1 25 LYS CD C -4.703 -4.107 -5.086 1.00 . A A . 25 LYS CD 1 1 18 7840 1 1 25 LYS CE C -4.656 -4.500 -6.570 1.00 . A A . 25 LYS CE 1 1 18 7841 1 1 25 LYS CG C -3.318 -3.607 -4.633 1.00 . A A . 25 LYS CG 1 1 18 7842 1 1 25 LYS H H -1.631 -3.484 -1.282 1.00 . A A . 25 LYS H 1 1 18 7843 1 1 25 LYS HA H -1.670 -1.823 -3.751 1.00 . A A . 25 LYS HA 1 1 18 7844 1 1 25 LYS HB2 H -3.678 -3.700 -2.516 1.00 . A A . 25 LYS HB2 1 1 18 7845 1 1 25 LYS HB3 H -4.290 -2.240 -3.256 1.00 . A A . 25 LYS HB3 1 1 18 7846 1 1 25 LYS HD2 H -4.991 -4.965 -4.496 1.00 . A A . 25 LYS HD2 1 1 18 7847 1 1 25 LYS HD3 H -5.441 -3.331 -4.947 1.00 . A A . 25 LYS HD3 1 1 18 7848 1 1 25 LYS HE2 H -4.239 -3.699 -7.162 1.00 . A A . 25 LYS HE2 1 1 18 7849 1 1 25 LYS HE3 H -4.060 -5.390 -6.706 1.00 . A A . 25 LYS HE3 1 1 18 7850 1 1 25 LYS HG2 H -2.922 -2.900 -5.347 1.00 . A A . 25 LYS HG2 1 1 18 7851 1 1 25 LYS HG3 H -2.637 -4.441 -4.559 1.00 . A A . 25 LYS HG3 1 1 18 7852 1 1 25 LYS HZ1 H -6.694 -4.084 -6.631 1.00 . A A . 25 LYS HZ1 1 1 18 7853 1 1 25 LYS HZ2 H -6.068 -4.697 -8.086 1.00 . A A . 25 LYS HZ2 1 1 18 7854 1 1 25 LYS HZ3 H -6.319 -5.734 -6.764 1.00 . A A . 25 LYS HZ3 1 1 18 7855 1 1 25 LYS N N -1.309 -3.152 -2.145 1.00 . A A . 25 LYS N 1 1 18 7856 1 1 25 LYS NZ N -6.038 -4.775 -7.050 1.00 . A A . 25 LYS NZ 1 1 18 7857 1 1 25 LYS O O -2.218 -1.210 -0.730 1.00 . A A . 25 LYS O 1 1 18 7858 1 1 26 CYS C C -4.550 1.043 -0.708 1.00 . A A . 26 CYS C 1 1 18 7859 1 1 26 CYS CA C -3.234 1.198 -1.475 1.00 . A A . 26 CYS CA 1 1 18 7860 1 1 26 CYS CB C -3.259 2.487 -2.297 1.00 . A A . 26 CYS CB 1 1 18 7861 1 1 26 CYS H H -3.150 0.146 -3.349 1.00 . A A . 26 CYS H 1 1 18 7862 1 1 26 CYS HA H -2.432 1.269 -0.756 1.00 . A A . 26 CYS HA 1 1 18 7863 1 1 26 CYS HB2 H -3.769 2.292 -3.222 1.00 . A A . 26 CYS HB2 1 1 18 7864 1 1 26 CYS HB3 H -3.828 3.235 -1.772 1.00 . A A . 26 CYS HB3 1 1 18 7865 1 1 26 CYS N N -2.957 0.055 -2.394 1.00 . A A . 26 CYS N 1 1 18 7866 1 1 26 CYS O O -5.301 0.107 -0.910 1.00 . A A . 26 CYS O 1 1 18 7867 1 1 26 CYS SG S -1.658 3.224 -2.693 1.00 . A A . 26 CYS SG 1 1 18 7868 1 1 27 VAL C C -6.721 3.394 0.786 1.00 . A A . 27 VAL C 1 1 18 7869 1 1 27 VAL CA C -5.978 2.057 1.023 1.00 . A A . 27 VAL CA 1 1 18 7870 1 1 27 VAL CB C -5.500 1.904 2.499 1.00 . A A . 27 VAL CB 1 1 18 7871 1 1 27 VAL CG1 C -6.689 1.995 3.484 1.00 . A A . 27 VAL CG1 1 1 18 7872 1 1 27 VAL CG2 C -4.823 0.520 2.672 1.00 . A A . 27 VAL CG2 1 1 18 7873 1 1 27 VAL H H -4.090 2.709 0.244 1.00 . A A . 27 VAL H 1 1 18 7874 1 1 27 VAL HA H -6.640 1.242 0.761 1.00 . A A . 27 VAL HA 1 1 18 7875 1 1 27 VAL HB H -4.785 2.681 2.731 1.00 . A A . 27 VAL HB 1 1 18 7876 1 1 27 VAL HG11 H -7.521 1.403 3.131 1.00 . A A . 27 VAL HG11 1 1 18 7877 1 1 27 VAL HG12 H -6.395 1.635 4.458 1.00 . A A . 27 VAL HG12 1 1 18 7878 1 1 27 VAL HG13 H -7.007 3.024 3.583 1.00 . A A . 27 VAL HG13 1 1 18 7879 1 1 27 VAL HG21 H -3.972 0.428 2.013 1.00 . A A . 27 VAL HG21 1 1 18 7880 1 1 27 VAL HG22 H -4.482 0.393 3.688 1.00 . A A . 27 VAL HG22 1 1 18 7881 1 1 27 VAL HG23 H -5.525 -0.268 2.440 1.00 . A A . 27 VAL HG23 1 1 18 7882 1 1 27 VAL N N -4.760 2.000 0.158 1.00 . A A . 27 VAL N 1 1 18 7883 1 1 27 VAL O O -7.897 3.424 1.107 1.00 . A A . 27 VAL O 1 1 18 7884 1 1 27 VAL OXT O -6.085 4.315 0.295 1.00 . A A . 27 VAL OXT 1 1 19 7885 1 1 1 CYS C C -1.666 10.501 -4.266 1.00 . A A . 1 CYS C 1 1 19 7886 1 1 1 CYS CA C -0.878 11.474 -3.364 1.00 . A A . 1 CYS CA 1 1 19 7887 1 1 1 CYS CB C -1.801 12.306 -2.429 1.00 . A A . 1 CYS CB 1 1 19 7888 1 1 1 CYS H1 H 0.404 11.866 -4.952 1.00 . A A . 1 CYS H1 1 1 19 7889 1 1 1 CYS H2 H -0.917 12.931 -4.849 1.00 . A A . 1 CYS H2 1 1 19 7890 1 1 1 CYS H3 H 0.384 13.081 -3.766 1.00 . A A . 1 CYS H3 1 1 19 7891 1 1 1 CYS HA H -0.128 10.935 -2.802 1.00 . A A . 1 CYS HA 1 1 19 7892 1 1 1 CYS HB2 H -1.649 11.964 -1.419 1.00 . A A . 1 CYS HB2 1 1 19 7893 1 1 1 CYS HB3 H -1.451 13.327 -2.458 1.00 . A A . 1 CYS HB3 1 1 19 7894 1 1 1 CYS N N -0.201 12.410 -4.305 1.00 . A A . 1 CYS N 1 1 19 7895 1 1 1 CYS O O -2.567 10.909 -4.973 1.00 . A A . 1 CYS O 1 1 19 7896 1 1 1 CYS SG S -3.587 12.373 -2.719 1.00 . A A . 1 CYS SG 1 1 19 7897 1 1 2 ARG C C -3.360 7.770 -4.539 1.00 . A A . 2 ARG C 1 1 19 7898 1 1 2 ARG CA C -1.983 8.197 -5.056 1.00 . A A . 2 ARG CA 1 1 19 7899 1 1 2 ARG CB C -1.058 6.956 -5.143 1.00 . A A . 2 ARG CB 1 1 19 7900 1 1 2 ARG CD C -0.559 6.712 -7.633 1.00 . A A . 2 ARG CD 1 1 19 7901 1 1 2 ARG CG C -0.004 7.166 -6.260 1.00 . A A . 2 ARG CG 1 1 19 7902 1 1 2 ARG CZ C 0.758 5.809 -9.466 1.00 . A A . 2 ARG CZ 1 1 19 7903 1 1 2 ARG H H -0.572 8.977 -3.621 1.00 . A A . 2 ARG H 1 1 19 7904 1 1 2 ARG HA H -2.117 8.603 -6.047 1.00 . A A . 2 ARG HA 1 1 19 7905 1 1 2 ARG HB2 H -0.554 6.816 -4.201 1.00 . A A . 2 ARG HB2 1 1 19 7906 1 1 2 ARG HB3 H -1.636 6.064 -5.344 1.00 . A A . 2 ARG HB3 1 1 19 7907 1 1 2 ARG HD2 H -1.528 6.244 -7.540 1.00 . A A . 2 ARG HD2 1 1 19 7908 1 1 2 ARG HD3 H -0.645 7.560 -8.297 1.00 . A A . 2 ARG HD3 1 1 19 7909 1 1 2 ARG HE H 0.748 4.999 -7.655 1.00 . A A . 2 ARG HE 1 1 19 7910 1 1 2 ARG HG2 H 0.276 8.209 -6.313 1.00 . A A . 2 ARG HG2 1 1 19 7911 1 1 2 ARG HG3 H 0.883 6.598 -6.021 1.00 . A A . 2 ARG HG3 1 1 19 7912 1 1 2 ARG HH11 H -0.948 5.015 -10.146 1.00 . A A . 2 ARG HH11 1 1 19 7913 1 1 2 ARG HH12 H 0.211 5.454 -11.357 1.00 . A A . 2 ARG HH12 1 1 19 7914 1 1 2 ARG HH21 H 2.530 6.622 -9.012 1.00 . A A . 2 ARG HH21 1 1 19 7915 1 1 2 ARG HH22 H 2.224 6.386 -10.700 1.00 . A A . 2 ARG HH22 1 1 19 7916 1 1 2 ARG N N -1.301 9.241 -4.217 1.00 . A A . 2 ARG N 1 1 19 7917 1 1 2 ARG NE N 0.394 5.721 -8.215 1.00 . A A . 2 ARG NE 1 1 19 7918 1 1 2 ARG NH1 N -0.057 5.394 -10.396 1.00 . A A . 2 ARG NH1 1 1 19 7919 1 1 2 ARG NH2 N 1.928 6.313 -9.747 1.00 . A A . 2 ARG NH2 1 1 19 7920 1 1 2 ARG O O -3.750 8.070 -3.431 1.00 . A A . 2 ARG O 1 1 19 7921 1 1 3 ILE C C -5.361 5.246 -4.261 1.00 . A A . 3 ILE C 1 1 19 7922 1 1 3 ILE CA C -5.417 6.547 -5.097 1.00 . A A . 3 ILE CA 1 1 19 7923 1 1 3 ILE CB C -6.142 6.284 -6.443 1.00 . A A . 3 ILE CB 1 1 19 7924 1 1 3 ILE CD1 C -5.886 4.232 -7.979 1.00 . A A . 3 ILE CD1 1 1 19 7925 1 1 3 ILE CG1 C -5.210 5.515 -7.451 1.00 . A A . 3 ILE CG1 1 1 19 7926 1 1 3 ILE CG2 C -6.562 7.636 -7.060 1.00 . A A . 3 ILE CG2 1 1 19 7927 1 1 3 ILE H H -3.668 6.864 -6.275 1.00 . A A . 3 ILE H 1 1 19 7928 1 1 3 ILE HA H -5.946 7.305 -4.539 1.00 . A A . 3 ILE HA 1 1 19 7929 1 1 3 ILE HB H -7.026 5.705 -6.243 1.00 . A A . 3 ILE HB 1 1 19 7930 1 1 3 ILE HD11 H -6.951 4.241 -7.801 1.00 . A A . 3 ILE HD11 1 1 19 7931 1 1 3 ILE HD12 H -5.717 4.142 -9.042 1.00 . A A . 3 ILE HD12 1 1 19 7932 1 1 3 ILE HD13 H -5.457 3.368 -7.494 1.00 . A A . 3 ILE HD13 1 1 19 7933 1 1 3 ILE HG12 H -4.964 6.148 -8.291 1.00 . A A . 3 ILE HG12 1 1 19 7934 1 1 3 ILE HG13 H -4.285 5.233 -6.972 1.00 . A A . 3 ILE HG13 1 1 19 7935 1 1 3 ILE HG21 H -5.696 8.266 -7.204 1.00 . A A . 3 ILE HG21 1 1 19 7936 1 1 3 ILE HG22 H -7.037 7.474 -8.017 1.00 . A A . 3 ILE HG22 1 1 19 7937 1 1 3 ILE HG23 H -7.259 8.144 -6.410 1.00 . A A . 3 ILE HG23 1 1 19 7938 1 1 3 ILE N N -4.051 7.065 -5.398 1.00 . A A . 3 ILE N 1 1 19 7939 1 1 3 ILE O O -4.343 4.580 -4.253 1.00 . A A . 3 ILE O 1 1 19 7940 1 1 4 HYP C C -6.474 2.462 -4.152 1.00 . A A . 4 HYP C 1 1 19 7941 1 1 4 HYP CA C -6.692 3.538 -3.073 1.00 . A A . 4 HYP CA 1 1 19 7942 1 1 4 HYP CB C -8.132 3.541 -2.550 1.00 . A A . 4 HYP CB 1 1 19 7943 1 1 4 HYP CD C -7.531 5.876 -3.238 1.00 . A A . 4 HYP CD 1 1 19 7944 1 1 4 HYP CG C -8.528 5.036 -2.408 1.00 . A A . 4 HYP CG 1 1 19 7945 1 1 4 HYP HA H -6.019 3.349 -2.250 1.00 . A A . 4 HYP HA 1 1 19 7946 1 1 4 HYP HB2 H -8.196 3.017 -1.608 1.00 . A A . 4 HYP HB2 1 1 19 7947 1 1 4 HYP HB3 H -8.793 3.062 -3.257 1.00 . A A . 4 HYP HB3 1 1 19 7948 1 1 4 HYP HD1 H -8.365 6.309 -0.945 1.00 . A A . 4 HYP HD1 1 1 19 7949 1 1 4 HYP HD22 H -7.120 6.698 -2.671 1.00 . A A . 4 HYP HD22 1 1 19 7950 1 1 4 HYP HD23 H -7.996 6.242 -4.141 1.00 . A A . 4 HYP HD23 1 1 19 7951 1 1 4 HYP HG H -9.564 5.237 -2.638 1.00 . A A . 4 HYP HG 1 1 19 7952 1 1 4 HYP N N -6.443 4.919 -3.583 1.00 . A A . 4 HYP N 1 1 19 7953 1 1 4 HYP O O -6.503 2.759 -5.328 1.00 . A A . 4 HYP O 1 1 19 7954 1 1 4 HYP OD1 O -8.245 5.364 -1.055 1.00 . A A . 4 HYP OD1 1 1 19 7955 1 1 5 ASN C C -4.714 0.100 -5.379 1.00 . A A . 5 ASN C 1 1 19 7956 1 1 5 ASN CA C -6.027 0.050 -4.570 1.00 . A A . 5 ASN CA 1 1 19 7957 1 1 5 ASN CB C -7.268 -0.121 -5.535 1.00 . A A . 5 ASN CB 1 1 19 7958 1 1 5 ASN CG C -7.048 0.426 -6.963 1.00 . A A . 5 ASN CG 1 1 19 7959 1 1 5 ASN H H -6.260 1.125 -2.724 1.00 . A A . 5 ASN H 1 1 19 7960 1 1 5 ASN HA H -5.981 -0.815 -3.926 1.00 . A A . 5 ASN HA 1 1 19 7961 1 1 5 ASN HB2 H -7.503 -1.172 -5.616 1.00 . A A . 5 ASN HB2 1 1 19 7962 1 1 5 ASN HB3 H -8.127 0.378 -5.110 1.00 . A A . 5 ASN HB3 1 1 19 7963 1 1 5 ASN HD21 H -8.325 1.926 -6.724 1.00 . A A . 5 ASN HD21 1 1 19 7964 1 1 5 ASN HD22 H -7.579 1.844 -8.247 1.00 . A A . 5 ASN HD22 1 1 19 7965 1 1 5 ASN N N -6.263 1.251 -3.694 1.00 . A A . 5 ASN N 1 1 19 7966 1 1 5 ASN ND2 N -7.705 1.487 -7.343 1.00 . A A . 5 ASN ND2 1 1 19 7967 1 1 5 ASN O O -4.291 -0.909 -5.907 1.00 . A A . 5 ASN O 1 1 19 7968 1 1 5 ASN OD1 O -6.284 -0.109 -7.743 1.00 . A A . 5 ASN OD1 1 1 19 7969 1 1 6 GLN C C -1.767 0.455 -5.689 1.00 . A A . 6 GLN C 1 1 19 7970 1 1 6 GLN CA C -2.830 1.433 -6.214 1.00 . A A . 6 GLN CA 1 1 19 7971 1 1 6 GLN CB C -2.376 2.899 -6.036 1.00 . A A . 6 GLN CB 1 1 19 7972 1 1 6 GLN CD C -1.099 3.116 -8.206 1.00 . A A . 6 GLN CD 1 1 19 7973 1 1 6 GLN CG C -0.995 3.166 -6.677 1.00 . A A . 6 GLN CG 1 1 19 7974 1 1 6 GLN H H -4.499 2.039 -5.009 1.00 . A A . 6 GLN H 1 1 19 7975 1 1 6 GLN HA H -3.020 1.228 -7.257 1.00 . A A . 6 GLN HA 1 1 19 7976 1 1 6 GLN HB2 H -3.116 3.547 -6.478 1.00 . A A . 6 GLN HB2 1 1 19 7977 1 1 6 GLN HB3 H -2.321 3.131 -4.986 1.00 . A A . 6 GLN HB3 1 1 19 7978 1 1 6 GLN HE21 H -2.679 4.318 -8.275 1.00 . A A . 6 GLN HE21 1 1 19 7979 1 1 6 GLN HE22 H -2.120 3.766 -9.780 1.00 . A A . 6 GLN HE22 1 1 19 7980 1 1 6 GLN HG2 H -0.652 4.149 -6.389 1.00 . A A . 6 GLN HG2 1 1 19 7981 1 1 6 GLN HG3 H -0.265 2.441 -6.348 1.00 . A A . 6 GLN HG3 1 1 19 7982 1 1 6 GLN N N -4.109 1.260 -5.457 1.00 . A A . 6 GLN N 1 1 19 7983 1 1 6 GLN NE2 N -2.045 3.790 -8.803 1.00 . A A . 6 GLN NE2 1 1 19 7984 1 1 6 GLN O O -1.412 0.501 -4.528 1.00 . A A . 6 GLN O 1 1 19 7985 1 1 6 GLN OE1 O -0.319 2.465 -8.872 1.00 . A A . 6 GLN OE1 1 1 19 7986 1 1 7 LYS C C 0.988 -0.706 -5.639 1.00 . A A . 7 LYS C 1 1 19 7987 1 1 7 LYS CA C -0.263 -1.407 -6.204 1.00 . A A . 7 LYS CA 1 1 19 7988 1 1 7 LYS CB C 0.071 -2.230 -7.476 1.00 . A A . 7 LYS CB 1 1 19 7989 1 1 7 LYS CD C -0.088 -4.510 -6.320 1.00 . A A . 7 LYS CD 1 1 19 7990 1 1 7 LYS CE C -0.066 -5.914 -6.937 1.00 . A A . 7 LYS CE 1 1 19 7991 1 1 7 LYS CG C 0.831 -3.535 -7.112 1.00 . A A . 7 LYS CG 1 1 19 7992 1 1 7 LYS H H -1.641 -0.367 -7.490 1.00 . A A . 7 LYS H 1 1 19 7993 1 1 7 LYS HA H -0.679 -2.052 -5.448 1.00 . A A . 7 LYS HA 1 1 19 7994 1 1 7 LYS HB2 H -0.847 -2.486 -7.987 1.00 . A A . 7 LYS HB2 1 1 19 7995 1 1 7 LYS HB3 H 0.674 -1.639 -8.149 1.00 . A A . 7 LYS HB3 1 1 19 7996 1 1 7 LYS HD2 H 0.271 -4.593 -5.307 1.00 . A A . 7 LYS HD2 1 1 19 7997 1 1 7 LYS HD3 H -1.107 -4.152 -6.297 1.00 . A A . 7 LYS HD3 1 1 19 7998 1 1 7 LYS HE2 H -0.662 -5.937 -7.838 1.00 . A A . 7 LYS HE2 1 1 19 7999 1 1 7 LYS HE3 H 0.946 -6.210 -7.173 1.00 . A A . 7 LYS HE3 1 1 19 8000 1 1 7 LYS HG2 H 1.170 -4.000 -8.027 1.00 . A A . 7 LYS HG2 1 1 19 8001 1 1 7 LYS HG3 H 1.699 -3.297 -6.516 1.00 . A A . 7 LYS HG3 1 1 19 8002 1 1 7 LYS HZ1 H -0.274 -6.679 -5.011 1.00 . A A . 7 LYS HZ1 1 1 19 8003 1 1 7 LYS HZ2 H -1.670 -6.822 -5.968 1.00 . A A . 7 LYS HZ2 1 1 19 8004 1 1 7 LYS HZ3 H -0.346 -7.854 -6.235 1.00 . A A . 7 LYS HZ3 1 1 19 8005 1 1 7 LYS N N -1.301 -0.395 -6.572 1.00 . A A . 7 LYS N 1 1 19 8006 1 1 7 LYS NZ N -0.632 -6.891 -5.965 1.00 . A A . 7 LYS NZ 1 1 19 8007 1 1 7 LYS O O 1.829 -0.220 -6.372 1.00 . A A . 7 LYS O 1 1 19 8008 1 1 8 CYS C C 2.754 -1.042 -2.568 1.00 . A A . 8 CYS C 1 1 19 8009 1 1 8 CYS CA C 2.168 -0.054 -3.578 1.00 . A A . 8 CYS CA 1 1 19 8010 1 1 8 CYS CB C 1.619 1.174 -2.866 1.00 . A A . 8 CYS CB 1 1 19 8011 1 1 8 CYS H H 0.314 -1.103 -3.824 1.00 . A A . 8 CYS H 1 1 19 8012 1 1 8 CYS HA H 2.948 0.241 -4.266 1.00 . A A . 8 CYS HA 1 1 19 8013 1 1 8 CYS HB2 H 2.392 1.590 -2.240 1.00 . A A . 8 CYS HB2 1 1 19 8014 1 1 8 CYS HB3 H 1.381 1.902 -3.624 1.00 . A A . 8 CYS HB3 1 1 19 8015 1 1 8 CYS N N 1.042 -0.687 -4.331 1.00 . A A . 8 CYS N 1 1 19 8016 1 1 8 CYS O O 2.064 -1.928 -2.104 1.00 . A A . 8 CYS O 1 1 19 8017 1 1 8 CYS SG S 0.130 0.980 -1.853 1.00 . A A . 8 CYS SG 1 1 19 8018 1 1 9 PHE C C 4.433 -1.226 0.145 1.00 . A A . 9 PHE C 1 1 19 8019 1 1 9 PHE CA C 4.655 -1.785 -1.263 1.00 . A A . 9 PHE CA 1 1 19 8020 1 1 9 PHE CB C 6.165 -1.881 -1.587 1.00 . A A . 9 PHE CB 1 1 19 8021 1 1 9 PHE CD1 C 6.456 -4.045 -0.272 1.00 . A A . 9 PHE CD1 1 1 19 8022 1 1 9 PHE CD2 C 8.006 -2.282 0.111 1.00 . A A . 9 PHE CD2 1 1 19 8023 1 1 9 PHE CE1 C 7.113 -4.826 0.655 1.00 . A A . 9 PHE CE1 1 1 19 8024 1 1 9 PHE CE2 C 8.665 -3.060 1.038 1.00 . A A . 9 PHE CE2 1 1 19 8025 1 1 9 PHE CG C 6.895 -2.764 -0.555 1.00 . A A . 9 PHE CG 1 1 19 8026 1 1 9 PHE CZ C 8.219 -4.334 1.313 1.00 . A A . 9 PHE CZ 1 1 19 8027 1 1 9 PHE H H 4.521 -0.127 -2.638 1.00 . A A . 9 PHE H 1 1 19 8028 1 1 9 PHE HA H 4.198 -2.763 -1.334 1.00 . A A . 9 PHE HA 1 1 19 8029 1 1 9 PHE HB2 H 6.302 -2.316 -2.567 1.00 . A A . 9 PHE HB2 1 1 19 8030 1 1 9 PHE HB3 H 6.605 -0.897 -1.579 1.00 . A A . 9 PHE HB3 1 1 19 8031 1 1 9 PHE HD1 H 5.591 -4.442 -0.782 1.00 . A A . 9 PHE HD1 1 1 19 8032 1 1 9 PHE HD2 H 8.365 -1.286 -0.098 1.00 . A A . 9 PHE HD2 1 1 19 8033 1 1 9 PHE HE1 H 6.759 -5.825 0.868 1.00 . A A . 9 PHE HE1 1 1 19 8034 1 1 9 PHE HE2 H 9.533 -2.672 1.550 1.00 . A A . 9 PHE HE2 1 1 19 8035 1 1 9 PHE HZ H 8.735 -4.944 2.039 1.00 . A A . 9 PHE HZ 1 1 19 8036 1 1 9 PHE N N 4.008 -0.863 -2.242 1.00 . A A . 9 PHE N 1 1 19 8037 1 1 9 PHE O O 4.311 -0.032 0.336 1.00 . A A . 9 PHE O 1 1 19 8038 1 1 10 GLN C C 5.024 -0.634 2.993 1.00 . A A . 10 GLN C 1 1 19 8039 1 1 10 GLN CA C 4.182 -1.831 2.519 1.00 . A A . 10 GLN CA 1 1 19 8040 1 1 10 GLN CB C 4.529 -3.099 3.330 1.00 . A A . 10 GLN CB 1 1 19 8041 1 1 10 GLN CD C 3.041 -5.051 3.958 1.00 . A A . 10 GLN CD 1 1 19 8042 1 1 10 GLN CG C 3.709 -4.309 2.794 1.00 . A A . 10 GLN CG 1 1 19 8043 1 1 10 GLN H H 4.498 -3.083 0.813 1.00 . A A . 10 GLN H 1 1 19 8044 1 1 10 GLN HA H 3.138 -1.597 2.653 1.00 . A A . 10 GLN HA 1 1 19 8045 1 1 10 GLN HB2 H 5.580 -3.321 3.220 1.00 . A A . 10 GLN HB2 1 1 19 8046 1 1 10 GLN HB3 H 4.324 -2.930 4.377 1.00 . A A . 10 GLN HB3 1 1 19 8047 1 1 10 GLN HE21 H 1.317 -4.086 3.750 1.00 . A A . 10 GLN HE21 1 1 19 8048 1 1 10 GLN HE22 H 1.364 -5.233 5.001 1.00 . A A . 10 GLN HE22 1 1 19 8049 1 1 10 GLN HG2 H 2.940 -3.990 2.105 1.00 . A A . 10 GLN HG2 1 1 19 8050 1 1 10 GLN HG3 H 4.365 -4.997 2.278 1.00 . A A . 10 GLN HG3 1 1 19 8051 1 1 10 GLN N N 4.391 -2.146 1.074 1.00 . A A . 10 GLN N 1 1 19 8052 1 1 10 GLN NE2 N 1.804 -4.766 4.261 1.00 . A A . 10 GLN NE2 1 1 19 8053 1 1 10 GLN O O 4.561 0.170 3.779 1.00 . A A . 10 GLN O 1 1 19 8054 1 1 10 GLN OE1 O 3.636 -5.895 4.598 1.00 . A A . 10 GLN OE1 1 1 19 8055 1 1 11 HIS C C 6.997 1.730 1.890 1.00 . A A . 11 HIS C 1 1 19 8056 1 1 11 HIS CA C 7.159 0.556 2.868 1.00 . A A . 11 HIS CA 1 1 19 8057 1 1 11 HIS CB C 8.616 0.070 2.815 1.00 . A A . 11 HIS CB 1 1 19 8058 1 1 11 HIS CD2 C 8.314 -2.144 4.250 1.00 . A A . 11 HIS CD2 1 1 19 8059 1 1 11 HIS CE1 C 9.794 -1.788 5.656 1.00 . A A . 11 HIS CE1 1 1 19 8060 1 1 11 HIS CG C 8.899 -0.928 3.942 1.00 . A A . 11 HIS CG 1 1 19 8061 1 1 11 HIS H H 6.533 -1.248 1.865 1.00 . A A . 11 HIS H 1 1 19 8062 1 1 11 HIS HA H 6.921 0.899 3.866 1.00 . A A . 11 HIS HA 1 1 19 8063 1 1 11 HIS HB2 H 8.822 -0.406 1.870 1.00 . A A . 11 HIS HB2 1 1 19 8064 1 1 11 HIS HB3 H 9.287 0.909 2.931 1.00 . A A . 11 HIS HB3 1 1 19 8065 1 1 11 HIS HD1 H 10.406 -0.004 4.921 1.00 . A A . 11 HIS HD1 1 1 19 8066 1 1 11 HIS HD2 H 7.510 -2.599 3.695 1.00 . A A . 11 HIS HD2 1 1 19 8067 1 1 11 HIS HE1 H 10.457 -1.898 6.500 1.00 . A A . 11 HIS HE1 1 1 19 8068 1 1 11 HIS N N 6.233 -0.559 2.493 1.00 . A A . 11 HIS N 1 1 19 8069 1 1 11 HIS ND1 N 9.803 -0.773 4.851 1.00 . A A . 11 HIS ND1 1 1 19 8070 1 1 11 HIS NE2 N 8.882 -2.666 5.318 1.00 . A A . 11 HIS NE2 1 1 19 8071 1 1 11 HIS O O 7.028 2.877 2.292 1.00 . A A . 11 HIS O 1 1 19 8072 1 1 12 LEU C C 5.179 2.782 -0.614 1.00 . A A . 12 LEU C 1 1 19 8073 1 1 12 LEU CA C 6.662 2.432 -0.432 1.00 . A A . 12 LEU CA 1 1 19 8074 1 1 12 LEU CB C 7.258 1.887 -1.761 1.00 . A A . 12 LEU CB 1 1 19 8075 1 1 12 LEU CD1 C 9.120 0.545 -2.813 1.00 . A A . 12 LEU CD1 1 1 19 8076 1 1 12 LEU CD2 C 9.692 2.480 -1.310 1.00 . A A . 12 LEU CD2 1 1 19 8077 1 1 12 LEU CG C 8.694 1.325 -1.552 1.00 . A A . 12 LEU CG 1 1 19 8078 1 1 12 LEU H H 6.811 0.444 0.392 1.00 . A A . 12 LEU H 1 1 19 8079 1 1 12 LEU HA H 7.180 3.335 -0.147 1.00 . A A . 12 LEU HA 1 1 19 8080 1 1 12 LEU HB2 H 6.617 1.111 -2.152 1.00 . A A . 12 LEU HB2 1 1 19 8081 1 1 12 LEU HB3 H 7.286 2.686 -2.488 1.00 . A A . 12 LEU HB3 1 1 19 8082 1 1 12 LEU HD11 H 8.415 -0.247 -3.016 1.00 . A A . 12 LEU HD11 1 1 19 8083 1 1 12 LEU HD12 H 9.159 1.204 -3.668 1.00 . A A . 12 LEU HD12 1 1 19 8084 1 1 12 LEU HD13 H 10.097 0.106 -2.667 1.00 . A A . 12 LEU HD13 1 1 19 8085 1 1 12 LEU HD21 H 9.585 3.242 -2.068 1.00 . A A . 12 LEU HD21 1 1 19 8086 1 1 12 LEU HD22 H 9.519 2.923 -0.341 1.00 . A A . 12 LEU HD22 1 1 19 8087 1 1 12 LEU HD23 H 10.705 2.103 -1.338 1.00 . A A . 12 LEU HD23 1 1 19 8088 1 1 12 LEU HG H 8.721 0.663 -0.702 1.00 . A A . 12 LEU HG 1 1 19 8089 1 1 12 LEU N N 6.828 1.394 0.635 1.00 . A A . 12 LEU N 1 1 19 8090 1 1 12 LEU O O 4.614 2.641 -1.684 1.00 . A A . 12 LEU O 1 1 19 8091 1 1 13 ASP C C 3.027 5.035 -0.150 1.00 . A A . 13 ASP C 1 1 19 8092 1 1 13 ASP CA C 3.151 3.621 0.432 1.00 . A A . 13 ASP CA 1 1 19 8093 1 1 13 ASP CB C 2.555 3.573 1.873 1.00 . A A . 13 ASP CB 1 1 19 8094 1 1 13 ASP CG C 3.599 3.957 2.938 1.00 . A A . 13 ASP CG 1 1 19 8095 1 1 13 ASP H H 5.107 3.328 1.294 1.00 . A A . 13 ASP H 1 1 19 8096 1 1 13 ASP HA H 2.621 2.931 -0.207 1.00 . A A . 13 ASP HA 1 1 19 8097 1 1 13 ASP HB2 H 1.717 4.250 1.938 1.00 . A A . 13 ASP HB2 1 1 19 8098 1 1 13 ASP HB3 H 2.197 2.576 2.082 1.00 . A A . 13 ASP HB3 1 1 19 8099 1 1 13 ASP N N 4.593 3.238 0.464 1.00 . A A . 13 ASP N 1 1 19 8100 1 1 13 ASP O O 3.231 6.031 0.518 1.00 . A A . 13 ASP O 1 1 19 8101 1 1 13 ASP OD1 O 4.302 3.051 3.359 1.00 . A A . 13 ASP OD1 1 1 19 8102 1 1 13 ASP OD2 O 3.635 5.131 3.268 1.00 . A A . 13 ASP OD2 1 1 19 8103 1 1 14 ASP C C 1.061 6.816 -2.080 1.00 . A A . 14 ASP C 1 1 19 8104 1 1 14 ASP CA C 2.507 6.307 -2.189 1.00 . A A . 14 ASP CA 1 1 19 8105 1 1 14 ASP CB C 2.855 6.020 -3.661 1.00 . A A . 14 ASP CB 1 1 19 8106 1 1 14 ASP CG C 2.278 4.652 -4.092 1.00 . A A . 14 ASP CG 1 1 19 8107 1 1 14 ASP H H 2.543 4.194 -1.873 1.00 . A A . 14 ASP H 1 1 19 8108 1 1 14 ASP HA H 3.175 7.063 -1.803 1.00 . A A . 14 ASP HA 1 1 19 8109 1 1 14 ASP HB2 H 2.439 6.786 -4.294 1.00 . A A . 14 ASP HB2 1 1 19 8110 1 1 14 ASP HB3 H 3.928 6.012 -3.790 1.00 . A A . 14 ASP HB3 1 1 19 8111 1 1 14 ASP N N 2.686 5.045 -1.411 1.00 . A A . 14 ASP N 1 1 19 8112 1 1 14 ASP O O 0.766 7.921 -2.489 1.00 . A A . 14 ASP O 1 1 19 8113 1 1 14 ASP OD1 O 1.081 4.604 -4.325 1.00 . A A . 14 ASP OD1 1 1 19 8114 1 1 14 ASP OD2 O 3.074 3.730 -4.158 1.00 . A A . 14 ASP OD2 1 1 19 8115 1 1 15 CYS C C -1.439 7.632 -0.623 1.00 . A A . 15 CYS C 1 1 19 8116 1 1 15 CYS CA C -1.230 6.300 -1.335 1.00 . A A . 15 CYS CA 1 1 19 8117 1 1 15 CYS CB C -1.834 5.178 -0.524 1.00 . A A . 15 CYS CB 1 1 19 8118 1 1 15 CYS H H 0.531 5.111 -1.209 1.00 . A A . 15 CYS H 1 1 19 8119 1 1 15 CYS HA H -1.704 6.342 -2.305 1.00 . A A . 15 CYS HA 1 1 19 8120 1 1 15 CYS HB2 H -1.629 5.401 0.509 1.00 . A A . 15 CYS HB2 1 1 19 8121 1 1 15 CYS HB3 H -2.904 5.141 -0.663 1.00 . A A . 15 CYS HB3 1 1 19 8122 1 1 15 CYS N N 0.217 5.983 -1.524 1.00 . A A . 15 CYS N 1 1 19 8123 1 1 15 CYS O O -0.601 8.042 0.151 1.00 . A A . 15 CYS O 1 1 19 8124 1 1 15 CYS SG S -1.143 3.532 -0.794 1.00 . A A . 15 CYS SG 1 1 19 8125 1 1 16 CYS C C -2.953 9.329 1.260 1.00 . A A . 16 CYS C 1 1 19 8126 1 1 16 CYS CA C -2.851 9.576 -0.253 1.00 . A A . 16 CYS CA 1 1 19 8127 1 1 16 CYS CB C -4.181 10.116 -0.820 1.00 . A A . 16 CYS CB 1 1 19 8128 1 1 16 CYS H H -3.182 7.872 -1.536 1.00 . A A . 16 CYS H 1 1 19 8129 1 1 16 CYS HA H -2.034 10.252 -0.442 1.00 . A A . 16 CYS HA 1 1 19 8130 1 1 16 CYS HB2 H -4.309 9.742 -1.823 1.00 . A A . 16 CYS HB2 1 1 19 8131 1 1 16 CYS HB3 H -5.001 9.737 -0.228 1.00 . A A . 16 CYS HB3 1 1 19 8132 1 1 16 CYS N N -2.550 8.264 -0.901 1.00 . A A . 16 CYS N 1 1 19 8133 1 1 16 CYS O O -2.464 10.104 2.060 1.00 . A A . 16 CYS O 1 1 19 8134 1 1 16 CYS SG S -4.351 11.914 -0.905 1.00 . A A . 16 CYS SG 1 1 19 8135 1 1 17 SER C C -2.487 7.194 3.544 1.00 . A A . 17 SER C 1 1 19 8136 1 1 17 SER CA C -3.792 7.812 2.997 1.00 . A A . 17 SER CA 1 1 19 8137 1 1 17 SER CB C -4.931 6.788 3.021 1.00 . A A . 17 SER CB 1 1 19 8138 1 1 17 SER H H -3.961 7.657 0.882 1.00 . A A . 17 SER H 1 1 19 8139 1 1 17 SER HA H -4.054 8.675 3.592 1.00 . A A . 17 SER HA 1 1 19 8140 1 1 17 SER HB2 H -5.160 6.493 4.027 1.00 . A A . 17 SER HB2 1 1 19 8141 1 1 17 SER HB3 H -5.820 7.157 2.532 1.00 . A A . 17 SER HB3 1 1 19 8142 1 1 17 SER HG H -4.986 4.912 2.497 1.00 . A A . 17 SER HG 1 1 19 8143 1 1 17 SER N N -3.593 8.232 1.582 1.00 . A A . 17 SER N 1 1 19 8144 1 1 17 SER O O -2.369 6.938 4.726 1.00 . A A . 17 SER O 1 1 19 8145 1 1 17 SER OG O -4.428 5.668 2.302 1.00 . A A . 17 SER OG 1 1 19 8146 1 1 18 ARG C C -0.388 4.962 3.546 1.00 . A A . 18 ARG C 1 1 19 8147 1 1 18 ARG CA C -0.219 6.384 2.971 1.00 . A A . 18 ARG CA 1 1 19 8148 1 1 18 ARG CB C 0.515 7.316 4.002 1.00 . A A . 18 ARG CB 1 1 19 8149 1 1 18 ARG CD C 1.883 9.257 3.084 1.00 . A A . 18 ARG CD 1 1 19 8150 1 1 18 ARG CG C 1.901 7.761 3.449 1.00 . A A . 18 ARG CG 1 1 19 8151 1 1 18 ARG CZ C 1.290 9.930 0.827 1.00 . A A . 18 ARG CZ 1 1 19 8152 1 1 18 ARG H H -1.742 7.218 1.712 1.00 . A A . 18 ARG H 1 1 19 8153 1 1 18 ARG HA H 0.340 6.307 2.049 1.00 . A A . 18 ARG HA 1 1 19 8154 1 1 18 ARG HB2 H -0.091 8.187 4.212 1.00 . A A . 18 ARG HB2 1 1 19 8155 1 1 18 ARG HB3 H 0.671 6.796 4.936 1.00 . A A . 18 ARG HB3 1 1 19 8156 1 1 18 ARG HD2 H 1.589 9.855 3.935 1.00 . A A . 18 ARG HD2 1 1 19 8157 1 1 18 ARG HD3 H 2.864 9.568 2.754 1.00 . A A . 18 ARG HD3 1 1 19 8158 1 1 18 ARG HE H -0.052 9.254 2.126 1.00 . A A . 18 ARG HE 1 1 19 8159 1 1 18 ARG HG2 H 2.654 7.594 4.206 1.00 . A A . 18 ARG HG2 1 1 19 8160 1 1 18 ARG HG3 H 2.175 7.191 2.574 1.00 . A A . 18 ARG HG3 1 1 19 8161 1 1 18 ARG HH11 H 2.074 8.175 0.265 1.00 . A A . 18 ARG HH11 1 1 19 8162 1 1 18 ARG HH12 H 2.217 9.463 -0.886 1.00 . A A . 18 ARG HH12 1 1 19 8163 1 1 18 ARG HH21 H 0.573 11.759 1.195 1.00 . A A . 18 ARG HH21 1 1 19 8164 1 1 18 ARG HH22 H 1.341 11.551 -0.344 1.00 . A A . 18 ARG HH22 1 1 19 8165 1 1 18 ARG N N -1.555 6.979 2.642 1.00 . A A . 18 ARG N 1 1 19 8166 1 1 18 ARG NE N 0.895 9.465 1.983 1.00 . A A . 18 ARG NE 1 1 19 8167 1 1 18 ARG NH1 N 1.909 9.127 0.003 1.00 . A A . 18 ARG NH1 1 1 19 8168 1 1 18 ARG NH2 N 1.049 11.177 0.535 1.00 . A A . 18 ARG NH2 1 1 19 8169 1 1 18 ARG O O 0.503 4.438 4.187 1.00 . A A . 18 ARG O 1 1 19 8170 1 1 19 LYS C C -1.923 2.009 2.609 1.00 . A A . 19 LYS C 1 1 19 8171 1 1 19 LYS CA C -1.876 3.017 3.765 1.00 . A A . 19 LYS CA 1 1 19 8172 1 1 19 LYS CB C -3.235 3.086 4.452 1.00 . A A . 19 LYS CB 1 1 19 8173 1 1 19 LYS CD C -4.458 4.309 6.286 1.00 . A A . 19 LYS CD 1 1 19 8174 1 1 19 LYS CE C -4.300 5.053 7.625 1.00 . A A . 19 LYS CE 1 1 19 8175 1 1 19 LYS CG C -3.097 3.722 5.854 1.00 . A A . 19 LYS CG 1 1 19 8176 1 1 19 LYS H H -2.219 4.857 2.762 1.00 . A A . 19 LYS H 1 1 19 8177 1 1 19 LYS HA H -1.131 2.691 4.477 1.00 . A A . 19 LYS HA 1 1 19 8178 1 1 19 LYS HB2 H -3.914 3.665 3.844 1.00 . A A . 19 LYS HB2 1 1 19 8179 1 1 19 LYS HB3 H -3.625 2.087 4.531 1.00 . A A . 19 LYS HB3 1 1 19 8180 1 1 19 LYS HD2 H -4.813 5.000 5.537 1.00 . A A . 19 LYS HD2 1 1 19 8181 1 1 19 LYS HD3 H -5.184 3.516 6.393 1.00 . A A . 19 LYS HD3 1 1 19 8182 1 1 19 LYS HE2 H -3.437 5.702 7.605 1.00 . A A . 19 LYS HE2 1 1 19 8183 1 1 19 LYS HE3 H -5.180 5.650 7.819 1.00 . A A . 19 LYS HE3 1 1 19 8184 1 1 19 LYS HG2 H -2.784 2.967 6.561 1.00 . A A . 19 LYS HG2 1 1 19 8185 1 1 19 LYS HG3 H -2.353 4.505 5.833 1.00 . A A . 19 LYS HG3 1 1 19 8186 1 1 19 LYS HZ1 H -4.852 3.324 8.640 1.00 . A A . 19 LYS HZ1 1 1 19 8187 1 1 19 LYS HZ2 H -3.188 3.657 8.693 1.00 . A A . 19 LYS HZ2 1 1 19 8188 1 1 19 LYS HZ3 H -4.264 4.558 9.647 1.00 . A A . 19 LYS HZ3 1 1 19 8189 1 1 19 LYS N N -1.539 4.388 3.285 1.00 . A A . 19 LYS N 1 1 19 8190 1 1 19 LYS NZ N -4.139 4.075 8.737 1.00 . A A . 19 LYS NZ 1 1 19 8191 1 1 19 LYS O O -2.698 2.168 1.686 1.00 . A A . 19 LYS O 1 1 19 8192 1 1 20 CYS C C -1.230 -1.391 2.418 1.00 . A A . 20 CYS C 1 1 19 8193 1 1 20 CYS CA C -1.001 -0.064 1.680 1.00 . A A . 20 CYS CA 1 1 19 8194 1 1 20 CYS CB C 0.384 0.009 1.059 1.00 . A A . 20 CYS CB 1 1 19 8195 1 1 20 CYS H H -0.477 0.933 3.464 1.00 . A A . 20 CYS H 1 1 19 8196 1 1 20 CYS HA H -1.777 0.085 0.940 1.00 . A A . 20 CYS HA 1 1 19 8197 1 1 20 CYS HB2 H 1.121 0.007 1.849 1.00 . A A . 20 CYS HB2 1 1 19 8198 1 1 20 CYS HB3 H 0.529 -0.878 0.483 1.00 . A A . 20 CYS HB3 1 1 19 8199 1 1 20 CYS N N -1.084 1.006 2.705 1.00 . A A . 20 CYS N 1 1 19 8200 1 1 20 CYS O O -0.422 -1.792 3.235 1.00 . A A . 20 CYS O 1 1 19 8201 1 1 20 CYS SG S 0.692 1.461 0.027 1.00 . A A . 20 CYS SG 1 1 19 8202 1 1 21 ASN C C -1.723 -4.500 2.427 1.00 . A A . 21 ASN C 1 1 19 8203 1 1 21 ASN CA C -2.673 -3.333 2.758 1.00 . A A . 21 ASN CA 1 1 19 8204 1 1 21 ASN CB C -4.123 -3.686 2.350 1.00 . A A . 21 ASN CB 1 1 19 8205 1 1 21 ASN CG C -4.245 -3.991 0.848 1.00 . A A . 21 ASN CG 1 1 19 8206 1 1 21 ASN H H -2.932 -1.652 1.437 1.00 . A A . 21 ASN H 1 1 19 8207 1 1 21 ASN HA H -2.651 -3.186 3.829 1.00 . A A . 21 ASN HA 1 1 19 8208 1 1 21 ASN HB2 H -4.466 -4.547 2.904 1.00 . A A . 21 ASN HB2 1 1 19 8209 1 1 21 ASN HB3 H -4.771 -2.853 2.581 1.00 . A A . 21 ASN HB3 1 1 19 8210 1 1 21 ASN HD21 H -6.225 -4.084 0.937 1.00 . A A . 21 ASN HD21 1 1 19 8211 1 1 21 ASN HD22 H -5.546 -4.353 -0.595 1.00 . A A . 21 ASN HD22 1 1 19 8212 1 1 21 ASN N N -2.328 -2.031 2.107 1.00 . A A . 21 ASN N 1 1 19 8213 1 1 21 ASN ND2 N -5.439 -4.156 0.357 1.00 . A A . 21 ASN ND2 1 1 19 8214 1 1 21 ASN O O -0.729 -4.342 1.744 1.00 . A A . 21 ASN O 1 1 19 8215 1 1 21 ASN OD1 O -3.282 -4.083 0.111 1.00 . A A . 21 ASN OD1 1 1 19 8216 1 1 22 ARG C C -1.283 -7.368 1.294 1.00 . A A . 22 ARG C 1 1 19 8217 1 1 22 ARG CA C -1.333 -6.909 2.759 1.00 . A A . 22 ARG CA 1 1 19 8218 1 1 22 ARG CB C -1.988 -7.999 3.638 1.00 . A A . 22 ARG CB 1 1 19 8219 1 1 22 ARG CD C -4.078 -9.421 3.566 1.00 . A A . 22 ARG CD 1 1 19 8220 1 1 22 ARG CG C -3.534 -7.988 3.485 1.00 . A A . 22 ARG CG 1 1 19 8221 1 1 22 ARG CZ C -6.438 -9.824 3.982 1.00 . A A . 22 ARG CZ 1 1 19 8222 1 1 22 ARG H H -2.906 -5.687 3.478 1.00 . A A . 22 ARG H 1 1 19 8223 1 1 22 ARG HA H -0.335 -6.725 3.110 1.00 . A A . 22 ARG HA 1 1 19 8224 1 1 22 ARG HB2 H -1.588 -8.962 3.363 1.00 . A A . 22 ARG HB2 1 1 19 8225 1 1 22 ARG HB3 H -1.736 -7.813 4.673 1.00 . A A . 22 ARG HB3 1 1 19 8226 1 1 22 ARG HD2 H -3.548 -10.074 2.887 1.00 . A A . 22 ARG HD2 1 1 19 8227 1 1 22 ARG HD3 H -3.987 -9.804 4.573 1.00 . A A . 22 ARG HD3 1 1 19 8228 1 1 22 ARG HE H -5.771 -9.034 2.288 1.00 . A A . 22 ARG HE 1 1 19 8229 1 1 22 ARG HG2 H -3.968 -7.400 4.281 1.00 . A A . 22 ARG HG2 1 1 19 8230 1 1 22 ARG HG3 H -3.824 -7.547 2.543 1.00 . A A . 22 ARG HG3 1 1 19 8231 1 1 22 ARG HH11 H -6.221 -8.281 5.239 1.00 . A A . 22 ARG HH11 1 1 19 8232 1 1 22 ARG HH12 H -7.415 -9.452 5.689 1.00 . A A . 22 ARG HH12 1 1 19 8233 1 1 22 ARG HH21 H -6.814 -11.445 2.871 1.00 . A A . 22 ARG HH21 1 1 19 8234 1 1 22 ARG HH22 H -7.759 -11.289 4.314 1.00 . A A . 22 ARG HH22 1 1 19 8235 1 1 22 ARG N N -2.094 -5.645 2.944 1.00 . A A . 22 ARG N 1 1 19 8236 1 1 22 ARG NE N -5.517 -9.388 3.166 1.00 . A A . 22 ARG NE 1 1 19 8237 1 1 22 ARG NH1 N -6.712 -9.132 5.054 1.00 . A A . 22 ARG NH1 1 1 19 8238 1 1 22 ARG NH2 N -7.051 -10.940 3.701 1.00 . A A . 22 ARG NH2 1 1 19 8239 1 1 22 ARG O O -0.443 -8.168 0.926 1.00 . A A . 22 ARG O 1 1 19 8240 1 1 23 PHE C C -1.350 -6.227 -1.730 1.00 . A A . 23 PHE C 1 1 19 8241 1 1 23 PHE CA C -2.256 -7.196 -0.946 1.00 . A A . 23 PHE CA 1 1 19 8242 1 1 23 PHE CB C -3.730 -7.068 -1.403 1.00 . A A . 23 PHE CB 1 1 19 8243 1 1 23 PHE CD1 C -4.356 -9.130 -0.018 1.00 . A A . 23 PHE CD1 1 1 19 8244 1 1 23 PHE CD2 C -5.429 -8.804 -2.121 1.00 . A A . 23 PHE CD2 1 1 19 8245 1 1 23 PHE CE1 C -5.080 -10.290 0.171 1.00 . A A . 23 PHE CE1 1 1 19 8246 1 1 23 PHE CE2 C -6.153 -9.963 -1.931 1.00 . A A . 23 PHE CE2 1 1 19 8247 1 1 23 PHE CG C -4.522 -8.372 -1.167 1.00 . A A . 23 PHE CG 1 1 19 8248 1 1 23 PHE CZ C -5.979 -10.707 -0.785 1.00 . A A . 23 PHE CZ 1 1 19 8249 1 1 23 PHE H H -2.834 -6.202 0.872 1.00 . A A . 23 PHE H 1 1 19 8250 1 1 23 PHE HA H -1.898 -8.205 -1.093 1.00 . A A . 23 PHE HA 1 1 19 8251 1 1 23 PHE HB2 H -4.220 -6.275 -0.857 1.00 . A A . 23 PHE HB2 1 1 19 8252 1 1 23 PHE HB3 H -3.772 -6.824 -2.453 1.00 . A A . 23 PHE HB3 1 1 19 8253 1 1 23 PHE HD1 H -3.655 -8.819 0.740 1.00 . A A . 23 PHE HD1 1 1 19 8254 1 1 23 PHE HD2 H -5.575 -8.228 -3.024 1.00 . A A . 23 PHE HD2 1 1 19 8255 1 1 23 PHE HE1 H -4.942 -10.872 1.070 1.00 . A A . 23 PHE HE1 1 1 19 8256 1 1 23 PHE HE2 H -6.858 -10.288 -2.682 1.00 . A A . 23 PHE HE2 1 1 19 8257 1 1 23 PHE HZ H -6.546 -11.614 -0.635 1.00 . A A . 23 PHE HZ 1 1 19 8258 1 1 23 PHE N N -2.187 -6.841 0.506 1.00 . A A . 23 PHE N 1 1 19 8259 1 1 23 PHE O O -1.422 -6.151 -2.942 1.00 . A A . 23 PHE O 1 1 19 8260 1 1 24 ASN C C -0.294 -3.563 -2.507 1.00 . A A . 24 ASN C 1 1 19 8261 1 1 24 ASN CA C 0.434 -4.530 -1.569 1.00 . A A . 24 ASN CA 1 1 19 8262 1 1 24 ASN CB C 1.550 -5.301 -2.316 1.00 . A A . 24 ASN CB 1 1 19 8263 1 1 24 ASN CG C 2.383 -6.066 -1.279 1.00 . A A . 24 ASN CG 1 1 19 8264 1 1 24 ASN H H -0.527 -5.650 -0.021 1.00 . A A . 24 ASN H 1 1 19 8265 1 1 24 ASN HA H 0.849 -3.953 -0.756 1.00 . A A . 24 ASN HA 1 1 19 8266 1 1 24 ASN HB2 H 1.134 -6.003 -3.022 1.00 . A A . 24 ASN HB2 1 1 19 8267 1 1 24 ASN HB3 H 2.198 -4.613 -2.843 1.00 . A A . 24 ASN HB3 1 1 19 8268 1 1 24 ASN HD21 H 0.968 -7.422 -0.951 1.00 . A A . 24 ASN HD21 1 1 19 8269 1 1 24 ASN HD22 H 2.392 -7.624 -0.048 1.00 . A A . 24 ASN HD22 1 1 19 8270 1 1 24 ASN N N -0.522 -5.524 -0.992 1.00 . A A . 24 ASN N 1 1 19 8271 1 1 24 ASN ND2 N 1.872 -7.125 -0.713 1.00 . A A . 24 ASN ND2 1 1 19 8272 1 1 24 ASN O O 0.208 -3.156 -3.534 1.00 . A A . 24 ASN O 1 1 19 8273 1 1 24 ASN OD1 O 3.502 -5.708 -0.973 1.00 . A A . 24 ASN OD1 1 1 19 8274 1 1 25 LYS C C -2.769 -1.216 -1.836 1.00 . A A . 25 LYS C 1 1 19 8275 1 1 25 LYS CA C -2.380 -2.312 -2.824 1.00 . A A . 25 LYS CA 1 1 19 8276 1 1 25 LYS CB C -3.609 -3.095 -3.296 1.00 . A A . 25 LYS CB 1 1 19 8277 1 1 25 LYS CD C -4.684 -3.993 -5.414 1.00 . A A . 25 LYS CD 1 1 19 8278 1 1 25 LYS CE C -4.557 -3.775 -6.943 1.00 . A A . 25 LYS CE 1 1 19 8279 1 1 25 LYS CG C -3.341 -3.679 -4.705 1.00 . A A . 25 LYS CG 1 1 19 8280 1 1 25 LYS H H -1.808 -3.618 -1.244 1.00 . A A . 25 LYS H 1 1 19 8281 1 1 25 LYS HA H -1.847 -1.860 -3.646 1.00 . A A . 25 LYS HA 1 1 19 8282 1 1 25 LYS HB2 H -3.810 -3.904 -2.608 1.00 . A A . 25 LYS HB2 1 1 19 8283 1 1 25 LYS HB3 H -4.461 -2.438 -3.298 1.00 . A A . 25 LYS HB3 1 1 19 8284 1 1 25 LYS HD2 H -4.953 -5.023 -5.225 1.00 . A A . 25 LYS HD2 1 1 19 8285 1 1 25 LYS HD3 H -5.472 -3.364 -5.026 1.00 . A A . 25 LYS HD3 1 1 19 8286 1 1 25 LYS HE2 H -3.662 -3.226 -7.198 1.00 . A A . 25 LYS HE2 1 1 19 8287 1 1 25 LYS HE3 H -4.531 -4.728 -7.451 1.00 . A A . 25 LYS HE3 1 1 19 8288 1 1 25 LYS HG2 H -2.769 -2.972 -5.287 1.00 . A A . 25 LYS HG2 1 1 19 8289 1 1 25 LYS HG3 H -2.763 -4.588 -4.614 1.00 . A A . 25 LYS HG3 1 1 19 8290 1 1 25 LYS HZ1 H -5.923 -2.208 -6.806 1.00 . A A . 25 LYS HZ1 1 1 19 8291 1 1 25 LYS HZ2 H -5.530 -2.646 -8.399 1.00 . A A . 25 LYS HZ2 1 1 19 8292 1 1 25 LYS HZ3 H -6.564 -3.631 -7.478 1.00 . A A . 25 LYS HZ3 1 1 19 8293 1 1 25 LYS N N -1.484 -3.238 -2.084 1.00 . A A . 25 LYS N 1 1 19 8294 1 1 25 LYS NZ N -5.732 -3.007 -7.445 1.00 . A A . 25 LYS NZ 1 1 19 8295 1 1 25 LYS O O -2.801 -1.451 -0.643 1.00 . A A . 25 LYS O 1 1 19 8296 1 1 26 CYS C C -4.815 0.887 -0.807 1.00 . A A . 26 CYS C 1 1 19 8297 1 1 26 CYS CA C -3.445 1.071 -1.453 1.00 . A A . 26 CYS CA 1 1 19 8298 1 1 26 CYS CB C -3.425 2.358 -2.261 1.00 . A A . 26 CYS CB 1 1 19 8299 1 1 26 CYS H H -3.031 0.098 -3.316 1.00 . A A . 26 CYS H 1 1 19 8300 1 1 26 CYS HA H -2.706 1.144 -0.669 1.00 . A A . 26 CYS HA 1 1 19 8301 1 1 26 CYS HB2 H -3.943 2.194 -3.188 1.00 . A A . 26 CYS HB2 1 1 19 8302 1 1 26 CYS HB3 H -3.963 3.117 -1.721 1.00 . A A . 26 CYS HB3 1 1 19 8303 1 1 26 CYS N N -3.060 -0.050 -2.349 1.00 . A A . 26 CYS N 1 1 19 8304 1 1 26 CYS O O -5.575 0.001 -1.144 1.00 . A A . 26 CYS O 1 1 19 8305 1 1 26 CYS SG S -1.797 3.043 -2.637 1.00 . A A . 26 CYS SG 1 1 19 8306 1 1 27 VAL C C -6.930 3.226 0.827 1.00 . A A . 27 VAL C 1 1 19 8307 1 1 27 VAL CA C -6.326 1.804 0.901 1.00 . A A . 27 VAL CA 1 1 19 8308 1 1 27 VAL CB C -6.009 1.411 2.367 1.00 . A A . 27 VAL CB 1 1 19 8309 1 1 27 VAL CG1 C -7.322 1.287 3.179 1.00 . A A . 27 VAL CG1 1 1 19 8310 1 1 27 VAL CG2 C -5.280 0.040 2.395 1.00 . A A . 27 VAL CG2 1 1 19 8311 1 1 27 VAL H H -4.354 2.436 0.309 1.00 . A A . 27 VAL H 1 1 19 8312 1 1 27 VAL HA H -7.028 1.106 0.467 1.00 . A A . 27 VAL HA 1 1 19 8313 1 1 27 VAL HB H -5.377 2.170 2.805 1.00 . A A . 27 VAL HB 1 1 19 8314 1 1 27 VAL HG11 H -8.055 0.717 2.625 1.00 . A A . 27 VAL HG11 1 1 19 8315 1 1 27 VAL HG12 H -7.139 0.791 4.122 1.00 . A A . 27 VAL HG12 1 1 19 8316 1 1 27 VAL HG13 H -7.725 2.268 3.382 1.00 . A A . 27 VAL HG13 1 1 19 8317 1 1 27 VAL HG21 H -5.873 -0.711 1.890 1.00 . A A . 27 VAL HG21 1 1 19 8318 1 1 27 VAL HG22 H -4.322 0.110 1.901 1.00 . A A . 27 VAL HG22 1 1 19 8319 1 1 27 VAL HG23 H -5.115 -0.278 3.413 1.00 . A A . 27 VAL HG23 1 1 19 8320 1 1 27 VAL N N -5.051 1.772 0.122 1.00 . A A . 27 VAL N 1 1 19 8321 1 1 27 VAL O O -6.160 4.154 0.633 1.00 . A A . 27 VAL O 1 1 19 8322 1 1 27 VAL OXT O -8.139 3.307 0.970 1.00 . A A . 27 VAL OXT 1 1 20 8323 1 1 1 CYS C C -1.259 10.164 -4.506 1.00 . A A . 1 CYS C 1 1 20 8324 1 1 1 CYS CA C -0.393 11.120 -3.660 1.00 . A A . 1 CYS CA 1 1 20 8325 1 1 1 CYS CB C -1.248 12.090 -2.781 1.00 . A A . 1 CYS CB 1 1 20 8326 1 1 1 CYS H1 H 0.971 11.308 -5.222 1.00 . A A . 1 CYS H1 1 1 20 8327 1 1 1 CYS H2 H -0.274 12.464 -5.242 1.00 . A A . 1 CYS H2 1 1 20 8328 1 1 1 CYS H3 H 0.994 12.600 -4.118 1.00 . A A . 1 CYS H3 1 1 20 8329 1 1 1 CYS HA H 0.295 10.547 -3.054 1.00 . A A . 1 CYS HA 1 1 20 8330 1 1 1 CYS HB2 H -1.157 11.759 -1.759 1.00 . A A . 1 CYS HB2 1 1 20 8331 1 1 1 CYS HB3 H -0.792 13.068 -2.828 1.00 . A A . 1 CYS HB3 1 1 20 8332 1 1 1 CYS N N 0.383 11.934 -4.634 1.00 . A A . 1 CYS N 1 1 20 8333 1 1 1 CYS O O -2.190 10.579 -5.169 1.00 . A A . 1 CYS O 1 1 20 8334 1 1 1 CYS SG S -3.012 12.330 -3.110 1.00 . A A . 1 CYS SG 1 1 20 8335 1 1 2 ARG C C -3.037 7.558 -4.644 1.00 . A A . 2 ARG C 1 1 20 8336 1 1 2 ARG CA C -1.655 7.851 -5.229 1.00 . A A . 2 ARG CA 1 1 20 8337 1 1 2 ARG CB C -0.803 6.563 -5.244 1.00 . A A . 2 ARG CB 1 1 20 8338 1 1 2 ARG CD C 0.042 6.146 -7.582 1.00 . A A . 2 ARG CD 1 1 20 8339 1 1 2 ARG CG C 0.382 6.752 -6.217 1.00 . A A . 2 ARG CG 1 1 20 8340 1 1 2 ARG CZ C 1.066 6.457 -9.755 1.00 . A A . 2 ARG CZ 1 1 20 8341 1 1 2 ARG H H -0.154 8.635 -3.897 1.00 . A A . 2 ARG H 1 1 20 8342 1 1 2 ARG HA H -1.789 8.205 -6.242 1.00 . A A . 2 ARG HA 1 1 20 8343 1 1 2 ARG HB2 H -0.411 6.370 -4.258 1.00 . A A . 2 ARG HB2 1 1 20 8344 1 1 2 ARG HB3 H -1.407 5.716 -5.539 1.00 . A A . 2 ARG HB3 1 1 20 8345 1 1 2 ARG HD2 H -0.189 5.094 -7.487 1.00 . A A . 2 ARG HD2 1 1 20 8346 1 1 2 ARG HD3 H -0.794 6.668 -8.023 1.00 . A A . 2 ARG HD3 1 1 20 8347 1 1 2 ARG HE H 2.133 6.264 -8.090 1.00 . A A . 2 ARG HE 1 1 20 8348 1 1 2 ARG HG2 H 0.600 7.801 -6.343 1.00 . A A . 2 ARG HG2 1 1 20 8349 1 1 2 ARG HG3 H 1.255 6.264 -5.817 1.00 . A A . 2 ARG HG3 1 1 20 8350 1 1 2 ARG HH11 H 0.256 4.644 -10.007 1.00 . A A . 2 ARG HH11 1 1 20 8351 1 1 2 ARG HH12 H 0.401 5.607 -11.441 1.00 . A A . 2 ARG HH12 1 1 20 8352 1 1 2 ARG HH21 H 1.845 8.299 -9.729 1.00 . A A . 2 ARG HH21 1 1 20 8353 1 1 2 ARG HH22 H 1.321 7.729 -11.279 1.00 . A A . 2 ARG HH22 1 1 20 8354 1 1 2 ARG N N -0.913 8.900 -4.455 1.00 . A A . 2 ARG N 1 1 20 8355 1 1 2 ARG NE N 1.231 6.292 -8.471 1.00 . A A . 2 ARG NE 1 1 20 8356 1 1 2 ARG NH1 N 0.532 5.494 -10.457 1.00 . A A . 2 ARG NH1 1 1 20 8357 1 1 2 ARG NH2 N 1.440 7.582 -10.297 1.00 . A A . 2 ARG NH2 1 1 20 8358 1 1 2 ARG O O -3.310 7.856 -3.501 1.00 . A A . 2 ARG O 1 1 20 8359 1 1 3 ILE C C -5.297 5.311 -4.217 1.00 . A A . 3 ILE C 1 1 20 8360 1 1 3 ILE CA C -5.261 6.632 -5.019 1.00 . A A . 3 ILE CA 1 1 20 8361 1 1 3 ILE CB C -6.150 6.525 -6.281 1.00 . A A . 3 ILE CB 1 1 20 8362 1 1 3 ILE CD1 C -6.507 5.003 -8.263 1.00 . A A . 3 ILE CD1 1 1 20 8363 1 1 3 ILE CG1 C -5.459 5.660 -7.366 1.00 . A A . 3 ILE CG1 1 1 20 8364 1 1 3 ILE CG2 C -6.416 7.942 -6.836 1.00 . A A . 3 ILE CG2 1 1 20 8365 1 1 3 ILE H H -3.603 6.746 -6.374 1.00 . A A . 3 ILE H 1 1 20 8366 1 1 3 ILE HA H -5.619 7.434 -4.391 1.00 . A A . 3 ILE HA 1 1 20 8367 1 1 3 ILE HB H -7.084 6.069 -6.008 1.00 . A A . 3 ILE HB 1 1 20 8368 1 1 3 ILE HD11 H -7.185 5.748 -8.652 1.00 . A A . 3 ILE HD11 1 1 20 8369 1 1 3 ILE HD12 H -6.015 4.513 -9.089 1.00 . A A . 3 ILE HD12 1 1 20 8370 1 1 3 ILE HD13 H -7.066 4.271 -7.700 1.00 . A A . 3 ILE HD13 1 1 20 8371 1 1 3 ILE HG12 H -4.808 6.273 -7.971 1.00 . A A . 3 ILE HG12 1 1 20 8372 1 1 3 ILE HG13 H -4.871 4.884 -6.899 1.00 . A A . 3 ILE HG13 1 1 20 8373 1 1 3 ILE HG21 H -6.905 8.547 -6.088 1.00 . A A . 3 ILE HG21 1 1 20 8374 1 1 3 ILE HG22 H -5.488 8.419 -7.117 1.00 . A A . 3 ILE HG22 1 1 20 8375 1 1 3 ILE HG23 H -7.053 7.887 -7.706 1.00 . A A . 3 ILE HG23 1 1 20 8376 1 1 3 ILE N N -3.876 6.972 -5.460 1.00 . A A . 3 ILE N 1 1 20 8377 1 1 3 ILE O O -4.366 4.533 -4.294 1.00 . A A . 3 ILE O 1 1 20 8378 1 1 4 HYP C C -6.579 2.593 -3.867 1.00 . A A . 4 HYP C 1 1 20 8379 1 1 4 HYP CA C -6.666 3.760 -2.870 1.00 . A A . 4 HYP CA 1 1 20 8380 1 1 4 HYP CB C -8.071 3.888 -2.273 1.00 . A A . 4 HYP CB 1 1 20 8381 1 1 4 HYP CD C -7.373 6.131 -3.126 1.00 . A A . 4 HYP CD 1 1 20 8382 1 1 4 HYP CG C -8.357 5.410 -2.182 1.00 . A A . 4 HYP CG 1 1 20 8383 1 1 4 HYP HA H -5.964 3.583 -2.069 1.00 . A A . 4 HYP HA 1 1 20 8384 1 1 4 HYP HB2 H -8.123 3.414 -1.307 1.00 . A A . 4 HYP HB2 1 1 20 8385 1 1 4 HYP HB3 H -8.801 3.427 -2.923 1.00 . A A . 4 HYP HB3 1 1 20 8386 1 1 4 HYP HD1 H -7.885 6.733 -0.834 1.00 . A A . 4 HYP HD1 1 1 20 8387 1 1 4 HYP HD22 H -6.885 6.966 -2.642 1.00 . A A . 4 HYP HD22 1 1 20 8388 1 1 4 HYP HD23 H -7.876 6.463 -4.022 1.00 . A A . 4 HYP HD23 1 1 20 8389 1 1 4 HYP HG H -9.393 5.670 -2.345 1.00 . A A . 4 HYP HG 1 1 20 8390 1 1 4 HYP N N -6.360 5.091 -3.470 1.00 . A A . 4 HYP N 1 1 20 8391 1 1 4 HYP O O -6.732 2.784 -5.057 1.00 . A A . 4 HYP O 1 1 20 8392 1 1 4 HYP OD1 O -7.948 5.775 -0.871 1.00 . A A . 4 HYP OD1 1 1 20 8393 1 1 5 ASN C C -5.082 0.045 -5.102 1.00 . A A . 5 ASN C 1 1 20 8394 1 1 5 ASN CA C -6.200 0.128 -4.044 1.00 . A A . 5 ASN CA 1 1 20 8395 1 1 5 ASN CB C -7.607 -0.207 -4.693 1.00 . A A . 5 ASN CB 1 1 20 8396 1 1 5 ASN CG C -7.790 0.091 -6.205 1.00 . A A . 5 ASN CG 1 1 20 8397 1 1 5 ASN H H -6.230 1.417 -2.335 1.00 . A A . 5 ASN H 1 1 20 8398 1 1 5 ASN HA H -5.996 -0.633 -3.307 1.00 . A A . 5 ASN HA 1 1 20 8399 1 1 5 ASN HB2 H -7.795 -1.260 -4.545 1.00 . A A . 5 ASN HB2 1 1 20 8400 1 1 5 ASN HB3 H -8.373 0.334 -4.159 1.00 . A A . 5 ASN HB3 1 1 20 8401 1 1 5 ASN HD21 H -6.275 1.366 -6.412 1.00 . A A . 5 ASN HD21 1 1 20 8402 1 1 5 ASN HD22 H -7.170 1.065 -7.817 1.00 . A A . 5 ASN HD22 1 1 20 8403 1 1 5 ASN N N -6.333 1.433 -3.308 1.00 . A A . 5 ASN N 1 1 20 8404 1 1 5 ASN ND2 N -7.013 0.909 -6.863 1.00 . A A . 5 ASN ND2 1 1 20 8405 1 1 5 ASN O O -4.885 -1.007 -5.680 1.00 . A A . 5 ASN O 1 1 20 8406 1 1 5 ASN OD1 O -8.688 -0.448 -6.820 1.00 . A A . 5 ASN OD1 1 1 20 8407 1 1 6 GLN C C -2.038 0.374 -5.835 1.00 . A A . 6 GLN C 1 1 20 8408 1 1 6 GLN CA C -3.282 1.105 -6.354 1.00 . A A . 6 GLN CA 1 1 20 8409 1 1 6 GLN CB C -2.913 2.560 -6.731 1.00 . A A . 6 GLN CB 1 1 20 8410 1 1 6 GLN CD C -2.641 4.114 -8.693 1.00 . A A . 6 GLN CD 1 1 20 8411 1 1 6 GLN CG C -3.299 2.820 -8.203 1.00 . A A . 6 GLN CG 1 1 20 8412 1 1 6 GLN H H -4.573 1.952 -4.841 1.00 . A A . 6 GLN H 1 1 20 8413 1 1 6 GLN HA H -3.646 0.577 -7.225 1.00 . A A . 6 GLN HA 1 1 20 8414 1 1 6 GLN HB2 H -3.446 3.251 -6.098 1.00 . A A . 6 GLN HB2 1 1 20 8415 1 1 6 GLN HB3 H -1.854 2.730 -6.598 1.00 . A A . 6 GLN HB3 1 1 20 8416 1 1 6 GLN HE21 H -2.032 3.308 -10.400 1.00 . A A . 6 GLN HE21 1 1 20 8417 1 1 6 GLN HE22 H -1.623 4.941 -10.183 1.00 . A A . 6 GLN HE22 1 1 20 8418 1 1 6 GLN HG2 H -2.964 2.004 -8.828 1.00 . A A . 6 GLN HG2 1 1 20 8419 1 1 6 GLN HG3 H -4.370 2.916 -8.297 1.00 . A A . 6 GLN HG3 1 1 20 8420 1 1 6 GLN N N -4.380 1.127 -5.335 1.00 . A A . 6 GLN N 1 1 20 8421 1 1 6 GLN NE2 N -2.050 4.122 -9.855 1.00 . A A . 6 GLN NE2 1 1 20 8422 1 1 6 GLN O O -1.676 0.502 -4.682 1.00 . A A . 6 GLN O 1 1 20 8423 1 1 6 GLN OE1 O -2.660 5.130 -8.028 1.00 . A A . 6 GLN OE1 1 1 20 8424 1 1 7 LYS C C 0.888 -0.267 -5.749 1.00 . A A . 7 LYS C 1 1 20 8425 1 1 7 LYS CA C -0.196 -1.152 -6.391 1.00 . A A . 7 LYS CA 1 1 20 8426 1 1 7 LYS CB C 0.327 -1.808 -7.702 1.00 . A A . 7 LYS CB 1 1 20 8427 1 1 7 LYS CD C 1.550 -3.574 -6.313 1.00 . A A . 7 LYS CD 1 1 20 8428 1 1 7 LYS CE C 2.579 -4.706 -6.452 1.00 . A A . 7 LYS CE 1 1 20 8429 1 1 7 LYS CG C 1.667 -2.575 -7.490 1.00 . A A . 7 LYS CG 1 1 20 8430 1 1 7 LYS H H -1.786 -0.412 -7.636 1.00 . A A . 7 LYS H 1 1 20 8431 1 1 7 LYS HA H -0.480 -1.925 -5.694 1.00 . A A . 7 LYS HA 1 1 20 8432 1 1 7 LYS HB2 H -0.418 -2.496 -8.075 1.00 . A A . 7 LYS HB2 1 1 20 8433 1 1 7 LYS HB3 H 0.477 -1.042 -8.449 1.00 . A A . 7 LYS HB3 1 1 20 8434 1 1 7 LYS HD2 H 1.748 -3.044 -5.395 1.00 . A A . 7 LYS HD2 1 1 20 8435 1 1 7 LYS HD3 H 0.555 -3.996 -6.267 1.00 . A A . 7 LYS HD3 1 1 20 8436 1 1 7 LYS HE2 H 2.241 -5.578 -5.911 1.00 . A A . 7 LYS HE2 1 1 20 8437 1 1 7 LYS HE3 H 2.729 -4.977 -7.488 1.00 . A A . 7 LYS HE3 1 1 20 8438 1 1 7 LYS HG2 H 1.909 -3.102 -8.401 1.00 . A A . 7 LYS HG2 1 1 20 8439 1 1 7 LYS HG3 H 2.461 -1.872 -7.287 1.00 . A A . 7 LYS HG3 1 1 20 8440 1 1 7 LYS HZ1 H 3.737 -3.938 -4.902 1.00 . A A . 7 LYS HZ1 1 1 20 8441 1 1 7 LYS HZ2 H 4.543 -5.074 -5.873 1.00 . A A . 7 LYS HZ2 1 1 20 8442 1 1 7 LYS HZ3 H 4.273 -3.501 -6.453 1.00 . A A . 7 LYS HZ3 1 1 20 8443 1 1 7 LYS N N -1.427 -0.369 -6.726 1.00 . A A . 7 LYS N 1 1 20 8444 1 1 7 LYS NZ N 3.881 -4.273 -5.876 1.00 . A A . 7 LYS NZ 1 1 20 8445 1 1 7 LYS O O 1.514 0.539 -6.409 1.00 . A A . 7 LYS O 1 1 20 8446 1 1 8 CYS C C 2.782 -0.655 -2.717 1.00 . A A . 8 CYS C 1 1 20 8447 1 1 8 CYS CA C 2.062 0.299 -3.671 1.00 . A A . 8 CYS CA 1 1 20 8448 1 1 8 CYS CB C 1.334 1.389 -2.889 1.00 . A A . 8 CYS CB 1 1 20 8449 1 1 8 CYS H H 0.500 -1.128 -4.010 1.00 . A A . 8 CYS H 1 1 20 8450 1 1 8 CYS HA H 2.789 0.744 -4.336 1.00 . A A . 8 CYS HA 1 1 20 8451 1 1 8 CYS HB2 H 2.064 1.951 -2.326 1.00 . A A . 8 CYS HB2 1 1 20 8452 1 1 8 CYS HB3 H 0.896 2.063 -3.609 1.00 . A A . 8 CYS HB3 1 1 20 8453 1 1 8 CYS N N 1.055 -0.463 -4.466 1.00 . A A . 8 CYS N 1 1 20 8454 1 1 8 CYS O O 2.182 -1.566 -2.179 1.00 . A A . 8 CYS O 1 1 20 8455 1 1 8 CYS SG S 0.013 0.917 -1.746 1.00 . A A . 8 CYS SG 1 1 20 8456 1 1 9 PHE C C 4.826 -0.692 -0.210 1.00 . A A . 9 PHE C 1 1 20 8457 1 1 9 PHE CA C 4.879 -1.262 -1.631 1.00 . A A . 9 PHE CA 1 1 20 8458 1 1 9 PHE CB C 6.332 -1.277 -2.128 1.00 . A A . 9 PHE CB 1 1 20 8459 1 1 9 PHE CD1 C 6.717 -3.576 -3.121 1.00 . A A . 9 PHE CD1 1 1 20 8460 1 1 9 PHE CD2 C 6.381 -1.748 -4.616 1.00 . A A . 9 PHE CD2 1 1 20 8461 1 1 9 PHE CE1 C 6.855 -4.429 -4.196 1.00 . A A . 9 PHE CE1 1 1 20 8462 1 1 9 PHE CE2 C 6.521 -2.601 -5.691 1.00 . A A . 9 PHE CE2 1 1 20 8463 1 1 9 PHE CG C 6.479 -2.229 -3.322 1.00 . A A . 9 PHE CG 1 1 20 8464 1 1 9 PHE CZ C 6.758 -3.942 -5.481 1.00 . A A . 9 PHE CZ 1 1 20 8465 1 1 9 PHE H H 4.472 0.348 -3.003 1.00 . A A . 9 PHE H 1 1 20 8466 1 1 9 PHE HA H 4.481 -2.267 -1.625 1.00 . A A . 9 PHE HA 1 1 20 8467 1 1 9 PHE HB2 H 6.621 -0.289 -2.445 1.00 . A A . 9 PHE HB2 1 1 20 8468 1 1 9 PHE HB3 H 7.000 -1.597 -1.340 1.00 . A A . 9 PHE HB3 1 1 20 8469 1 1 9 PHE HD1 H 6.794 -3.966 -2.117 1.00 . A A . 9 PHE HD1 1 1 20 8470 1 1 9 PHE HD2 H 6.195 -0.698 -4.789 1.00 . A A . 9 PHE HD2 1 1 20 8471 1 1 9 PHE HE1 H 7.042 -5.480 -4.030 1.00 . A A . 9 PHE HE1 1 1 20 8472 1 1 9 PHE HE2 H 6.443 -2.217 -6.698 1.00 . A A . 9 PHE HE2 1 1 20 8473 1 1 9 PHE HZ H 6.868 -4.610 -6.323 1.00 . A A . 9 PHE HZ 1 1 20 8474 1 1 9 PHE N N 4.055 -0.407 -2.537 1.00 . A A . 9 PHE N 1 1 20 8475 1 1 9 PHE O O 4.986 0.497 -0.010 1.00 . A A . 9 PHE O 1 1 20 8476 1 1 10 GLN C C 5.736 -0.401 2.639 1.00 . A A . 10 GLN C 1 1 20 8477 1 1 10 GLN CA C 4.514 -1.208 2.168 1.00 . A A . 10 GLN CA 1 1 20 8478 1 1 10 GLN CB C 4.376 -2.515 2.999 1.00 . A A . 10 GLN CB 1 1 20 8479 1 1 10 GLN CD C 5.416 -4.311 1.534 1.00 . A A . 10 GLN CD 1 1 20 8480 1 1 10 GLN CG C 5.590 -3.471 2.808 1.00 . A A . 10 GLN CG 1 1 20 8481 1 1 10 GLN H H 4.471 -2.512 0.479 1.00 . A A . 10 GLN H 1 1 20 8482 1 1 10 GLN HA H 3.625 -0.614 2.296 1.00 . A A . 10 GLN HA 1 1 20 8483 1 1 10 GLN HB2 H 4.295 -2.259 4.046 1.00 . A A . 10 GLN HB2 1 1 20 8484 1 1 10 GLN HB3 H 3.469 -3.023 2.707 1.00 . A A . 10 GLN HB3 1 1 20 8485 1 1 10 GLN HE21 H 4.160 -5.587 2.390 1.00 . A A . 10 GLN HE21 1 1 20 8486 1 1 10 GLN HE22 H 4.510 -5.896 0.758 1.00 . A A . 10 GLN HE22 1 1 20 8487 1 1 10 GLN HG2 H 6.518 -2.927 2.743 1.00 . A A . 10 GLN HG2 1 1 20 8488 1 1 10 GLN HG3 H 5.649 -4.141 3.653 1.00 . A A . 10 GLN HG3 1 1 20 8489 1 1 10 GLN N N 4.597 -1.577 0.726 1.00 . A A . 10 GLN N 1 1 20 8490 1 1 10 GLN NE2 N 4.630 -5.351 1.564 1.00 . A A . 10 GLN NE2 1 1 20 8491 1 1 10 GLN O O 5.644 0.395 3.553 1.00 . A A . 10 GLN O 1 1 20 8492 1 1 10 GLN OE1 O 5.992 -4.030 0.501 1.00 . A A . 10 GLN OE1 1 1 20 8493 1 1 11 HIS C C 8.038 1.539 1.936 1.00 . A A . 11 HIS C 1 1 20 8494 1 1 11 HIS CA C 8.124 0.054 2.317 1.00 . A A . 11 HIS CA 1 1 20 8495 1 1 11 HIS CB C 9.277 -0.615 1.546 1.00 . A A . 11 HIS CB 1 1 20 8496 1 1 11 HIS CD2 C 8.839 -3.090 0.709 1.00 . A A . 11 HIS CD2 1 1 20 8497 1 1 11 HIS CE1 C 9.185 -4.081 2.496 1.00 . A A . 11 HIS CE1 1 1 20 8498 1 1 11 HIS CG C 9.163 -2.139 1.661 1.00 . A A . 11 HIS CG 1 1 20 8499 1 1 11 HIS H H 6.832 -1.303 1.258 1.00 . A A . 11 HIS H 1 1 20 8500 1 1 11 HIS HA H 8.299 -0.025 3.380 1.00 . A A . 11 HIS HA 1 1 20 8501 1 1 11 HIS HB2 H 9.236 -0.349 0.500 1.00 . A A . 11 HIS HB2 1 1 20 8502 1 1 11 HIS HB3 H 10.229 -0.305 1.951 1.00 . A A . 11 HIS HB3 1 1 20 8503 1 1 11 HIS HD1 H 9.612 -2.444 3.608 1.00 . A A . 11 HIS HD1 1 1 20 8504 1 1 11 HIS HD2 H 8.605 -2.878 -0.324 1.00 . A A . 11 HIS HD2 1 1 20 8505 1 1 11 HIS HE1 H 9.293 -4.862 3.235 1.00 . A A . 11 HIS HE1 1 1 20 8506 1 1 11 HIS N N 6.844 -0.645 1.984 1.00 . A A . 11 HIS N 1 1 20 8507 1 1 11 HIS ND1 N 9.364 -2.823 2.739 1.00 . A A . 11 HIS ND1 1 1 20 8508 1 1 11 HIS NE2 N 8.856 -4.293 1.245 1.00 . A A . 11 HIS NE2 1 1 20 8509 1 1 11 HIS O O 8.495 2.395 2.668 1.00 . A A . 11 HIS O 1 1 20 8510 1 1 12 LEU C C 5.791 3.416 0.000 1.00 . A A . 12 LEU C 1 1 20 8511 1 1 12 LEU CA C 7.275 3.171 0.271 1.00 . A A . 12 LEU CA 1 1 20 8512 1 1 12 LEU CB C 8.119 3.332 -1.031 1.00 . A A . 12 LEU CB 1 1 20 8513 1 1 12 LEU CD1 C 7.459 2.747 -3.425 1.00 . A A . 12 LEU CD1 1 1 20 8514 1 1 12 LEU CD2 C 9.096 1.288 -2.190 1.00 . A A . 12 LEU CD2 1 1 20 8515 1 1 12 LEU CG C 7.838 2.171 -2.041 1.00 . A A . 12 LEU CG 1 1 20 8516 1 1 12 LEU H H 7.104 1.031 0.266 1.00 . A A . 12 LEU H 1 1 20 8517 1 1 12 LEU HA H 7.596 3.892 1.005 1.00 . A A . 12 LEU HA 1 1 20 8518 1 1 12 LEU HB2 H 7.883 4.286 -1.481 1.00 . A A . 12 LEU HB2 1 1 20 8519 1 1 12 LEU HB3 H 9.165 3.348 -0.762 1.00 . A A . 12 LEU HB3 1 1 20 8520 1 1 12 LEU HD11 H 6.577 3.364 -3.346 1.00 . A A . 12 LEU HD11 1 1 20 8521 1 1 12 LEU HD12 H 8.267 3.346 -3.818 1.00 . A A . 12 LEU HD12 1 1 20 8522 1 1 12 LEU HD13 H 7.254 1.943 -4.118 1.00 . A A . 12 LEU HD13 1 1 20 8523 1 1 12 LEU HD21 H 9.440 0.964 -1.220 1.00 . A A . 12 LEU HD21 1 1 20 8524 1 1 12 LEU HD22 H 8.869 0.414 -2.784 1.00 . A A . 12 LEU HD22 1 1 20 8525 1 1 12 LEU HD23 H 9.890 1.840 -2.672 1.00 . A A . 12 LEU HD23 1 1 20 8526 1 1 12 LEU HG H 7.020 1.565 -1.686 1.00 . A A . 12 LEU HG 1 1 20 8527 1 1 12 LEU N N 7.446 1.782 0.794 1.00 . A A . 12 LEU N 1 1 20 8528 1 1 12 LEU O O 5.325 3.366 -1.124 1.00 . A A . 12 LEU O 1 1 20 8529 1 1 13 ASP C C 3.441 5.273 0.237 1.00 . A A . 13 ASP C 1 1 20 8530 1 1 13 ASP CA C 3.625 3.936 0.970 1.00 . A A . 13 ASP CA 1 1 20 8531 1 1 13 ASP CB C 3.018 3.995 2.391 1.00 . A A . 13 ASP CB 1 1 20 8532 1 1 13 ASP CG C 1.541 3.553 2.337 1.00 . A A . 13 ASP CG 1 1 20 8533 1 1 13 ASP H H 5.528 3.689 1.949 1.00 . A A . 13 ASP H 1 1 20 8534 1 1 13 ASP HA H 3.169 3.144 0.391 1.00 . A A . 13 ASP HA 1 1 20 8535 1 1 13 ASP HB2 H 3.564 3.330 3.046 1.00 . A A . 13 ASP HB2 1 1 20 8536 1 1 13 ASP HB3 H 3.064 4.993 2.804 1.00 . A A . 13 ASP HB3 1 1 20 8537 1 1 13 ASP N N 5.087 3.673 1.074 1.00 . A A . 13 ASP N 1 1 20 8538 1 1 13 ASP O O 3.504 6.340 0.817 1.00 . A A . 13 ASP O 1 1 20 8539 1 1 13 ASP OD1 O 0.816 4.126 1.539 1.00 . A A . 13 ASP OD1 1 1 20 8540 1 1 13 ASP OD2 O 1.221 2.660 3.104 1.00 . A A . 13 ASP OD2 1 1 20 8541 1 1 14 ASP C C 1.540 6.745 -2.013 1.00 . A A . 14 ASP C 1 1 20 8542 1 1 14 ASP CA C 3.011 6.309 -1.944 1.00 . A A . 14 ASP CA 1 1 20 8543 1 1 14 ASP CB C 3.519 5.905 -3.338 1.00 . A A . 14 ASP CB 1 1 20 8544 1 1 14 ASP CG C 2.971 4.510 -3.714 1.00 . A A . 14 ASP CG 1 1 20 8545 1 1 14 ASP H H 3.184 4.241 -1.426 1.00 . A A . 14 ASP H 1 1 20 8546 1 1 14 ASP HA H 3.599 7.140 -1.582 1.00 . A A . 14 ASP HA 1 1 20 8547 1 1 14 ASP HB2 H 3.186 6.616 -4.073 1.00 . A A . 14 ASP HB2 1 1 20 8548 1 1 14 ASP HB3 H 4.599 5.880 -3.345 1.00 . A A . 14 ASP HB3 1 1 20 8549 1 1 14 ASP N N 3.215 5.140 -1.041 1.00 . A A . 14 ASP N 1 1 20 8550 1 1 14 ASP O O 1.218 7.693 -2.703 1.00 . A A . 14 ASP O 1 1 20 8551 1 1 14 ASP OD1 O 1.805 4.462 -4.075 1.00 . A A . 14 ASP OD1 1 1 20 8552 1 1 14 ASP OD2 O 3.747 3.571 -3.617 1.00 . A A . 14 ASP OD2 1 1 20 8553 1 1 15 CYS C C -1.038 7.717 -0.600 1.00 . A A . 15 CYS C 1 1 20 8554 1 1 15 CYS CA C -0.759 6.383 -1.289 1.00 . A A . 15 CYS CA 1 1 20 8555 1 1 15 CYS CB C -1.495 5.267 -0.569 1.00 . A A . 15 CYS CB 1 1 20 8556 1 1 15 CYS H H 1.003 5.293 -0.757 1.00 . A A . 15 CYS H 1 1 20 8557 1 1 15 CYS HA H -1.113 6.437 -2.306 1.00 . A A . 15 CYS HA 1 1 20 8558 1 1 15 CYS HB2 H -1.388 5.401 0.497 1.00 . A A . 15 CYS HB2 1 1 20 8559 1 1 15 CYS HB3 H -2.542 5.340 -0.803 1.00 . A A . 15 CYS HB3 1 1 20 8560 1 1 15 CYS N N 0.693 6.048 -1.298 1.00 . A A . 15 CYS N 1 1 20 8561 1 1 15 CYS O O -0.264 8.177 0.218 1.00 . A A . 15 CYS O 1 1 20 8562 1 1 15 CYS SG S -0.958 3.587 -0.961 1.00 . A A . 15 CYS SG 1 1 20 8563 1 1 16 CYS C C -3.004 9.294 1.055 1.00 . A A . 16 CYS C 1 1 20 8564 1 1 16 CYS CA C -2.580 9.599 -0.389 1.00 . A A . 16 CYS CA 1 1 20 8565 1 1 16 CYS CB C -3.759 10.151 -1.213 1.00 . A A . 16 CYS CB 1 1 20 8566 1 1 16 CYS H H -2.720 7.851 -1.635 1.00 . A A . 16 CYS H 1 1 20 8567 1 1 16 CYS HA H -1.744 10.281 -0.380 1.00 . A A . 16 CYS HA 1 1 20 8568 1 1 16 CYS HB2 H -3.681 9.785 -2.224 1.00 . A A . 16 CYS HB2 1 1 20 8569 1 1 16 CYS HB3 H -4.689 9.779 -0.806 1.00 . A A . 16 CYS HB3 1 1 20 8570 1 1 16 CYS N N -2.154 8.290 -0.970 1.00 . A A . 16 CYS N 1 1 20 8571 1 1 16 CYS O O -2.829 10.093 1.954 1.00 . A A . 16 CYS O 1 1 20 8572 1 1 16 CYS SG S -3.880 11.951 -1.324 1.00 . A A . 16 CYS SG 1 1 20 8573 1 1 17 SER C C -2.850 7.016 3.300 1.00 . A A . 17 SER C 1 1 20 8574 1 1 17 SER CA C -4.037 7.604 2.511 1.00 . A A . 17 SER CA 1 1 20 8575 1 1 17 SER CB C -5.084 6.524 2.237 1.00 . A A . 17 SER CB 1 1 20 8576 1 1 17 SER H H -3.666 7.530 0.425 1.00 . A A . 17 SER H 1 1 20 8577 1 1 17 SER HA H -4.469 8.416 3.078 1.00 . A A . 17 SER HA 1 1 20 8578 1 1 17 SER HB2 H -5.453 6.096 3.152 1.00 . A A . 17 SER HB2 1 1 20 8579 1 1 17 SER HB3 H -5.903 6.894 1.639 1.00 . A A . 17 SER HB3 1 1 20 8580 1 1 17 SER HG H -3.774 5.087 2.108 1.00 . A A . 17 SER HG 1 1 20 8581 1 1 17 SER N N -3.556 8.115 1.201 1.00 . A A . 17 SER N 1 1 20 8582 1 1 17 SER O O -3.037 6.527 4.397 1.00 . A A . 17 SER O 1 1 20 8583 1 1 17 SER OG O -4.377 5.530 1.505 1.00 . A A . 17 SER OG 1 1 20 8584 1 1 18 ARG C C -0.579 5.189 3.953 1.00 . A A . 18 ARG C 1 1 20 8585 1 1 18 ARG CA C -0.402 6.569 3.289 1.00 . A A . 18 ARG CA 1 1 20 8586 1 1 18 ARG CB C 0.133 7.629 4.317 1.00 . A A . 18 ARG CB 1 1 20 8587 1 1 18 ARG CD C 0.040 8.390 6.724 1.00 . A A . 18 ARG CD 1 1 20 8588 1 1 18 ARG CG C -0.769 7.777 5.569 1.00 . A A . 18 ARG CG 1 1 20 8589 1 1 18 ARG CZ C -1.019 7.359 8.649 1.00 . A A . 18 ARG CZ 1 1 20 8590 1 1 18 ARG H H -1.639 7.497 1.810 1.00 . A A . 18 ARG H 1 1 20 8591 1 1 18 ARG HA H 0.319 6.471 2.491 1.00 . A A . 18 ARG HA 1 1 20 8592 1 1 18 ARG HB2 H 1.130 7.342 4.619 1.00 . A A . 18 ARG HB2 1 1 20 8593 1 1 18 ARG HB3 H 0.202 8.587 3.822 1.00 . A A . 18 ARG HB3 1 1 20 8594 1 1 18 ARG HD2 H 0.916 7.794 6.941 1.00 . A A . 18 ARG HD2 1 1 20 8595 1 1 18 ARG HD3 H 0.346 9.397 6.479 1.00 . A A . 18 ARG HD3 1 1 20 8596 1 1 18 ARG HE H -1.269 9.276 8.191 1.00 . A A . 18 ARG HE 1 1 20 8597 1 1 18 ARG HG2 H -1.605 8.423 5.342 1.00 . A A . 18 ARG HG2 1 1 20 8598 1 1 18 ARG HG3 H -1.146 6.816 5.882 1.00 . A A . 18 ARG HG3 1 1 20 8599 1 1 18 ARG HH11 H -2.557 6.736 7.528 1.00 . A A . 18 ARG HH11 1 1 20 8600 1 1 18 ARG HH12 H -2.130 5.710 8.858 1.00 . A A . 18 ARG HH12 1 1 20 8601 1 1 18 ARG HH21 H 0.488 7.787 9.895 1.00 . A A . 18 ARG HH21 1 1 20 8602 1 1 18 ARG HH22 H -0.367 6.318 10.229 1.00 . A A . 18 ARG HH22 1 1 20 8603 1 1 18 ARG N N -1.681 7.086 2.697 1.00 . A A . 18 ARG N 1 1 20 8604 1 1 18 ARG NE N -0.834 8.437 7.934 1.00 . A A . 18 ARG NE 1 1 20 8605 1 1 18 ARG NH1 N -1.977 6.538 8.319 1.00 . A A . 18 ARG NH1 1 1 20 8606 1 1 18 ARG NH2 N -0.238 7.137 9.671 1.00 . A A . 18 ARG NH2 1 1 20 8607 1 1 18 ARG O O 0.082 4.855 4.918 1.00 . A A . 18 ARG O 1 1 20 8608 1 1 19 LYS C C -1.849 2.074 2.704 1.00 . A A . 19 LYS C 1 1 20 8609 1 1 19 LYS CA C -1.806 3.064 3.879 1.00 . A A . 19 LYS CA 1 1 20 8610 1 1 19 LYS CB C -3.164 3.139 4.575 1.00 . A A . 19 LYS CB 1 1 20 8611 1 1 19 LYS CD C -4.312 4.025 6.645 1.00 . A A . 19 LYS CD 1 1 20 8612 1 1 19 LYS CE C -4.518 3.523 8.087 1.00 . A A . 19 LYS CE 1 1 20 8613 1 1 19 LYS CG C -2.984 3.467 6.072 1.00 . A A . 19 LYS CG 1 1 20 8614 1 1 19 LYS H H -1.984 4.756 2.608 1.00 . A A . 19 LYS H 1 1 20 8615 1 1 19 LYS HA H -1.044 2.741 4.574 1.00 . A A . 19 LYS HA 1 1 20 8616 1 1 19 LYS HB2 H -3.768 3.901 4.101 1.00 . A A . 19 LYS HB2 1 1 20 8617 1 1 19 LYS HB3 H -3.663 2.195 4.455 1.00 . A A . 19 LYS HB3 1 1 20 8618 1 1 19 LYS HD2 H -4.282 5.104 6.642 1.00 . A A . 19 LYS HD2 1 1 20 8619 1 1 19 LYS HD3 H -5.150 3.706 6.042 1.00 . A A . 19 LYS HD3 1 1 20 8620 1 1 19 LYS HE2 H -5.444 3.915 8.483 1.00 . A A . 19 LYS HE2 1 1 20 8621 1 1 19 LYS HE3 H -4.559 2.444 8.109 1.00 . A A . 19 LYS HE3 1 1 20 8622 1 1 19 LYS HG2 H -2.689 2.572 6.600 1.00 . A A . 19 LYS HG2 1 1 20 8623 1 1 19 LYS HG3 H -2.209 4.209 6.200 1.00 . A A . 19 LYS HG3 1 1 20 8624 1 1 19 LYS HZ1 H -2.493 3.798 8.485 1.00 . A A . 19 LYS HZ1 1 1 20 8625 1 1 19 LYS HZ2 H -3.497 4.998 9.143 1.00 . A A . 19 LYS HZ2 1 1 20 8626 1 1 19 LYS HZ3 H -3.431 3.459 9.860 1.00 . A A . 19 LYS HZ3 1 1 20 8627 1 1 19 LYS N N -1.485 4.431 3.384 1.00 . A A . 19 LYS N 1 1 20 8628 1 1 19 LYS NZ N -3.400 3.979 8.960 1.00 . A A . 19 LYS NZ 1 1 20 8629 1 1 19 LYS O O -2.562 2.296 1.744 1.00 . A A . 19 LYS O 1 1 20 8630 1 1 20 CYS C C -1.274 -1.389 2.472 1.00 . A A . 20 CYS C 1 1 20 8631 1 1 20 CYS CA C -1.008 -0.039 1.782 1.00 . A A . 20 CYS CA 1 1 20 8632 1 1 20 CYS CB C 0.387 0.019 1.170 1.00 . A A . 20 CYS CB 1 1 20 8633 1 1 20 CYS H H -0.517 0.893 3.609 1.00 . A A . 20 CYS H 1 1 20 8634 1 1 20 CYS HA H -1.766 0.141 1.034 1.00 . A A . 20 CYS HA 1 1 20 8635 1 1 20 CYS HB2 H 1.116 0.053 1.967 1.00 . A A . 20 CYS HB2 1 1 20 8636 1 1 20 CYS HB3 H 0.545 -0.891 0.633 1.00 . A A . 20 CYS HB3 1 1 20 8637 1 1 20 CYS N N -1.081 1.017 2.823 1.00 . A A . 20 CYS N 1 1 20 8638 1 1 20 CYS O O -0.511 -1.806 3.321 1.00 . A A . 20 CYS O 1 1 20 8639 1 1 20 CYS SG S 0.707 1.429 0.081 1.00 . A A . 20 CYS SG 1 1 20 8640 1 1 21 ASN C C -1.752 -4.503 2.371 1.00 . A A . 21 ASN C 1 1 20 8641 1 1 21 ASN CA C -2.728 -3.351 2.684 1.00 . A A . 21 ASN CA 1 1 20 8642 1 1 21 ASN CB C -4.150 -3.710 2.184 1.00 . A A . 21 ASN CB 1 1 20 8643 1 1 21 ASN CG C -4.187 -3.951 0.667 1.00 . A A . 21 ASN CG 1 1 20 8644 1 1 21 ASN H H -2.925 -1.636 1.398 1.00 . A A . 21 ASN H 1 1 20 8645 1 1 21 ASN HA H -2.768 -3.234 3.757 1.00 . A A . 21 ASN HA 1 1 20 8646 1 1 21 ASN HB2 H -4.504 -4.602 2.679 1.00 . A A . 21 ASN HB2 1 1 20 8647 1 1 21 ASN HB3 H -4.830 -2.906 2.418 1.00 . A A . 21 ASN HB3 1 1 20 8648 1 1 21 ASN HD21 H -6.171 -3.903 0.608 1.00 . A A . 21 ASN HD21 1 1 20 8649 1 1 21 ASN HD22 H -5.394 -4.172 -0.877 1.00 . A A . 21 ASN HD22 1 1 20 8650 1 1 21 ASN N N -2.352 -2.029 2.088 1.00 . A A . 21 ASN N 1 1 20 8651 1 1 21 ASN ND2 N -5.349 -4.014 0.085 1.00 . A A . 21 ASN ND2 1 1 20 8652 1 1 21 ASN O O -0.715 -4.313 1.764 1.00 . A A . 21 ASN O 1 1 20 8653 1 1 21 ASN OD1 O -3.183 -4.086 -0.004 1.00 . A A . 21 ASN OD1 1 1 20 8654 1 1 22 ARG C C -1.226 -7.338 1.158 1.00 . A A . 22 ARG C 1 1 20 8655 1 1 22 ARG CA C -1.369 -6.918 2.626 1.00 . A A . 22 ARG CA 1 1 20 8656 1 1 22 ARG CB C -2.059 -8.032 3.439 1.00 . A A . 22 ARG CB 1 1 20 8657 1 1 22 ARG CD C -4.133 -9.459 3.696 1.00 . A A . 22 ARG CD 1 1 20 8658 1 1 22 ARG CG C -3.463 -8.357 2.859 1.00 . A A . 22 ARG CG 1 1 20 8659 1 1 22 ARG CZ C -4.074 -9.582 6.117 1.00 . A A . 22 ARG CZ 1 1 20 8660 1 1 22 ARG H H -3.000 -5.742 3.283 1.00 . A A . 22 ARG H 1 1 20 8661 1 1 22 ARG HA H -0.396 -6.737 3.041 1.00 . A A . 22 ARG HA 1 1 20 8662 1 1 22 ARG HB2 H -1.444 -8.916 3.423 1.00 . A A . 22 ARG HB2 1 1 20 8663 1 1 22 ARG HB3 H -2.158 -7.706 4.464 1.00 . A A . 22 ARG HB3 1 1 20 8664 1 1 22 ARG HD2 H -5.064 -9.760 3.239 1.00 . A A . 22 ARG HD2 1 1 20 8665 1 1 22 ARG HD3 H -3.486 -10.320 3.781 1.00 . A A . 22 ARG HD3 1 1 20 8666 1 1 22 ARG HE H -4.882 -8.049 5.146 1.00 . A A . 22 ARG HE 1 1 20 8667 1 1 22 ARG HG2 H -4.082 -7.471 2.861 1.00 . A A . 22 ARG HG2 1 1 20 8668 1 1 22 ARG HG3 H -3.367 -8.708 1.843 1.00 . A A . 22 ARG HG3 1 1 20 8669 1 1 22 ARG HH11 H -2.185 -8.923 6.050 1.00 . A A . 22 ARG HH11 1 1 20 8670 1 1 22 ARG HH12 H -2.557 -10.004 7.352 1.00 . A A . 22 ARG HH12 1 1 20 8671 1 1 22 ARG HH21 H -5.901 -10.360 6.369 1.00 . A A . 22 ARG HH21 1 1 20 8672 1 1 22 ARG HH22 H -4.713 -10.839 7.537 1.00 . A A . 22 ARG HH22 1 1 20 8673 1 1 22 ARG N N -2.151 -5.670 2.811 1.00 . A A . 22 ARG N 1 1 20 8674 1 1 22 ARG NE N -4.426 -8.911 5.055 1.00 . A A . 22 ARG NE 1 1 20 8675 1 1 22 ARG NH1 N -2.843 -9.497 6.539 1.00 . A A . 22 ARG NH1 1 1 20 8676 1 1 22 ARG NH2 N -4.965 -10.317 6.721 1.00 . A A . 22 ARG NH2 1 1 20 8677 1 1 22 ARG O O -0.332 -8.087 0.814 1.00 . A A . 22 ARG O 1 1 20 8678 1 1 23 PHE C C -1.218 -6.160 -1.873 1.00 . A A . 23 PHE C 1 1 20 8679 1 1 23 PHE CA C -2.102 -7.159 -1.113 1.00 . A A . 23 PHE CA 1 1 20 8680 1 1 23 PHE CB C -3.547 -7.098 -1.607 1.00 . A A . 23 PHE CB 1 1 20 8681 1 1 23 PHE CD1 C -4.267 -9.478 -1.108 1.00 . A A . 23 PHE CD1 1 1 20 8682 1 1 23 PHE CD2 C -5.349 -7.711 0.071 1.00 . A A . 23 PHE CD2 1 1 20 8683 1 1 23 PHE CE1 C -5.043 -10.401 -0.439 1.00 . A A . 23 PHE CE1 1 1 20 8684 1 1 23 PHE CE2 C -6.126 -8.633 0.740 1.00 . A A . 23 PHE CE2 1 1 20 8685 1 1 23 PHE CG C -4.412 -8.126 -0.859 1.00 . A A . 23 PHE CG 1 1 20 8686 1 1 23 PHE CZ C -5.973 -9.979 0.487 1.00 . A A . 23 PHE CZ 1 1 20 8687 1 1 23 PHE H H -2.816 -6.235 0.666 1.00 . A A . 23 PHE H 1 1 20 8688 1 1 23 PHE HA H -1.703 -8.153 -1.256 1.00 . A A . 23 PHE HA 1 1 20 8689 1 1 23 PHE HB2 H -3.955 -6.111 -1.452 1.00 . A A . 23 PHE HB2 1 1 20 8690 1 1 23 PHE HB3 H -3.575 -7.323 -2.654 1.00 . A A . 23 PHE HB3 1 1 20 8691 1 1 23 PHE HD1 H -3.540 -9.818 -1.832 1.00 . A A . 23 PHE HD1 1 1 20 8692 1 1 23 PHE HD2 H -5.476 -6.659 0.277 1.00 . A A . 23 PHE HD2 1 1 20 8693 1 1 23 PHE HE1 H -4.922 -11.456 -0.640 1.00 . A A . 23 PHE HE1 1 1 20 8694 1 1 23 PHE HE2 H -6.855 -8.300 1.465 1.00 . A A . 23 PHE HE2 1 1 20 8695 1 1 23 PHE HZ H -6.582 -10.702 1.011 1.00 . A A . 23 PHE HZ 1 1 20 8696 1 1 23 PHE N N -2.117 -6.836 0.339 1.00 . A A . 23 PHE N 1 1 20 8697 1 1 23 PHE O O -1.315 -6.046 -3.080 1.00 . A A . 23 PHE O 1 1 20 8698 1 1 24 ASN C C -0.224 -3.477 -2.604 1.00 . A A . 24 ASN C 1 1 20 8699 1 1 24 ASN CA C 0.553 -4.455 -1.716 1.00 . A A . 24 ASN CA 1 1 20 8700 1 1 24 ASN CB C 1.648 -5.188 -2.537 1.00 . A A . 24 ASN CB 1 1 20 8701 1 1 24 ASN CG C 2.333 -6.231 -1.645 1.00 . A A . 24 ASN CG 1 1 20 8702 1 1 24 ASN H H -0.361 -5.626 -0.165 1.00 . A A . 24 ASN H 1 1 20 8703 1 1 24 ASN HA H 0.996 -3.895 -0.907 1.00 . A A . 24 ASN HA 1 1 20 8704 1 1 24 ASN HB2 H 1.221 -5.688 -3.394 1.00 . A A . 24 ASN HB2 1 1 20 8705 1 1 24 ASN HB3 H 2.391 -4.483 -2.880 1.00 . A A . 24 ASN HB3 1 1 20 8706 1 1 24 ASN HD21 H 0.908 -7.584 -1.926 1.00 . A A . 24 ASN HD21 1 1 20 8707 1 1 24 ASN HD22 H 2.180 -8.073 -0.916 1.00 . A A . 24 ASN HD22 1 1 20 8708 1 1 24 ASN N N -0.380 -5.472 -1.132 1.00 . A A . 24 ASN N 1 1 20 8709 1 1 24 ASN ND2 N 1.760 -7.393 -1.482 1.00 . A A . 24 ASN ND2 1 1 20 8710 1 1 24 ASN O O 0.225 -3.064 -3.652 1.00 . A A . 24 ASN O 1 1 20 8711 1 1 24 ASN OD1 O 3.388 -5.998 -1.091 1.00 . A A . 24 ASN OD1 1 1 20 8712 1 1 25 LYS C C -2.664 -1.125 -1.797 1.00 . A A . 25 LYS C 1 1 20 8713 1 1 25 LYS CA C -2.323 -2.216 -2.808 1.00 . A A . 25 LYS CA 1 1 20 8714 1 1 25 LYS CB C -3.575 -2.990 -3.213 1.00 . A A . 25 LYS CB 1 1 20 8715 1 1 25 LYS CD C -4.753 -4.124 -5.141 1.00 . A A . 25 LYS CD 1 1 20 8716 1 1 25 LYS CE C -5.038 -5.518 -4.539 1.00 . A A . 25 LYS CE 1 1 20 8717 1 1 25 LYS CG C -3.398 -3.575 -4.628 1.00 . A A . 25 LYS CG 1 1 20 8718 1 1 25 LYS H H -1.675 -3.538 -1.269 1.00 . A A . 25 LYS H 1 1 20 8719 1 1 25 LYS HA H -1.834 -1.768 -3.659 1.00 . A A . 25 LYS HA 1 1 20 8720 1 1 25 LYS HB2 H -3.730 -3.798 -2.514 1.00 . A A . 25 LYS HB2 1 1 20 8721 1 1 25 LYS HB3 H -4.429 -2.339 -3.166 1.00 . A A . 25 LYS HB3 1 1 20 8722 1 1 25 LYS HD2 H -5.553 -3.445 -4.886 1.00 . A A . 25 LYS HD2 1 1 20 8723 1 1 25 LYS HD3 H -4.711 -4.208 -6.217 1.00 . A A . 25 LYS HD3 1 1 20 8724 1 1 25 LYS HE2 H -5.647 -6.090 -5.221 1.00 . A A . 25 LYS HE2 1 1 20 8725 1 1 25 LYS HE3 H -4.119 -6.057 -4.361 1.00 . A A . 25 LYS HE3 1 1 20 8726 1 1 25 LYS HG2 H -3.055 -2.802 -5.302 1.00 . A A . 25 LYS HG2 1 1 20 8727 1 1 25 LYS HG3 H -2.654 -4.359 -4.612 1.00 . A A . 25 LYS HG3 1 1 20 8728 1 1 25 LYS HZ1 H -5.425 -4.561 -2.724 1.00 . A A . 25 LYS HZ1 1 1 20 8729 1 1 25 LYS HZ2 H -6.790 -5.267 -3.443 1.00 . A A . 25 LYS HZ2 1 1 20 8730 1 1 25 LYS HZ3 H -5.632 -6.245 -2.678 1.00 . A A . 25 LYS HZ3 1 1 20 8731 1 1 25 LYS N N -1.391 -3.152 -2.120 1.00 . A A . 25 LYS N 1 1 20 8732 1 1 25 LYS NZ N -5.775 -5.387 -3.248 1.00 . A A . 25 LYS NZ 1 1 20 8733 1 1 25 LYS O O -2.592 -1.365 -0.608 1.00 . A A . 25 LYS O 1 1 20 8734 1 1 26 CYS C C -4.707 0.856 -0.635 1.00 . A A . 26 CYS C 1 1 20 8735 1 1 26 CYS CA C -3.375 1.139 -1.337 1.00 . A A . 26 CYS CA 1 1 20 8736 1 1 26 CYS CB C -3.451 2.439 -2.133 1.00 . A A . 26 CYS CB 1 1 20 8737 1 1 26 CYS H H -3.085 0.195 -3.239 1.00 . A A . 26 CYS H 1 1 20 8738 1 1 26 CYS HA H -2.596 1.223 -0.594 1.00 . A A . 26 CYS HA 1 1 20 8739 1 1 26 CYS HB2 H -4.066 2.278 -2.999 1.00 . A A . 26 CYS HB2 1 1 20 8740 1 1 26 CYS HB3 H -3.930 3.183 -1.525 1.00 . A A . 26 CYS HB3 1 1 20 8741 1 1 26 CYS N N -3.031 0.036 -2.275 1.00 . A A . 26 CYS N 1 1 20 8742 1 1 26 CYS O O -5.399 -0.090 -0.959 1.00 . A A . 26 CYS O 1 1 20 8743 1 1 26 CYS SG S -1.884 3.141 -2.699 1.00 . A A . 26 CYS SG 1 1 20 8744 1 1 27 VAL C C -7.091 2.880 1.013 1.00 . A A . 27 VAL C 1 1 20 8745 1 1 27 VAL CA C -6.276 1.575 1.103 1.00 . A A . 27 VAL CA 1 1 20 8746 1 1 27 VAL CB C -5.889 1.255 2.574 1.00 . A A . 27 VAL CB 1 1 20 8747 1 1 27 VAL CG1 C -7.156 0.935 3.404 1.00 . A A . 27 VAL CG1 1 1 20 8748 1 1 27 VAL CG2 C -4.959 0.014 2.606 1.00 . A A . 27 VAL CG2 1 1 20 8749 1 1 27 VAL H H -4.390 2.434 0.504 1.00 . A A . 27 VAL H 1 1 20 8750 1 1 27 VAL HA H -6.872 0.768 0.699 1.00 . A A . 27 VAL HA 1 1 20 8751 1 1 27 VAL HB H -5.379 2.106 3.002 1.00 . A A . 27 VAL HB 1 1 20 8752 1 1 27 VAL HG11 H -7.779 0.222 2.882 1.00 . A A . 27 VAL HG11 1 1 20 8753 1 1 27 VAL HG12 H -6.879 0.518 4.361 1.00 . A A . 27 VAL HG12 1 1 20 8754 1 1 27 VAL HG13 H -7.727 1.835 3.577 1.00 . A A . 27 VAL HG13 1 1 20 8755 1 1 27 VAL HG21 H -5.409 -0.799 2.056 1.00 . A A . 27 VAL HG21 1 1 20 8756 1 1 27 VAL HG22 H -4.005 0.244 2.157 1.00 . A A . 27 VAL HG22 1 1 20 8757 1 1 27 VAL HG23 H -4.787 -0.306 3.623 1.00 . A A . 27 VAL HG23 1 1 20 8758 1 1 27 VAL N N -5.010 1.701 0.312 1.00 . A A . 27 VAL N 1 1 20 8759 1 1 27 VAL O O -8.296 2.781 1.178 1.00 . A A . 27 VAL O 1 1 20 8760 1 1 27 VAL OXT O -6.475 3.907 0.782 1.00 . A A . 27 VAL OXT 1 1 stop_ save_
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