NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
527047 | 2lk0 | 17969 | cing | 4-filtered-FRED | STAR | entry | full | 407 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2lk0 # This FRED archive file contains, for PDB entry <2lk0>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396. save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.PDB_coordinate_file_version . _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_2lk0 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2lk0 _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "free and other bound" _Assembly.Molecular_mass 3808.80 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 $RNA_binding_protein_5 A . 1 1 2 . 2 $ZINC_ION B . 1 1 stop_ loop_ _PDBX_nonpoly_scheme.Entity_assembly_ID _PDBX_nonpoly_scheme.Entity_ID _PDBX_nonpoly_scheme.Mon_ID _PDBX_nonpoly_scheme.Comp_index_ID _PDBX_nonpoly_scheme.Comp_ID _PDBX_nonpoly_scheme.Entry_ID _PDBX_nonpoly_scheme.Assembly_ID 2 2 ZN 1 ZN 1 1 stop_ save_ save_RNA_binding_protein_5 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "RNA binding protein 5" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code XKFEDWLCNKCCLNNFRKRLKCFRCGADKFDX _Entity.Number_of_monomers 32 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 ACE $ACE 1 1 2 LYS . 1 1 3 PHE . 1 1 4 GLU . 1 1 5 ASP . 1 1 6 TRP . 1 1 7 LEU . 1 1 8 CYS . 1 1 9 ASN . 1 1 10 LYS . 1 1 11 CYS . 1 1 12 CYS . 1 1 13 LEU . 1 1 14 ASN . 1 1 15 ASN . 1 1 16 PHE . 1 1 17 ARG . 1 1 18 LYS . 1 1 19 ARG . 1 1 20 LEU . 1 1 21 LYS . 1 1 22 CYS . 1 1 23 PHE . 1 1 24 ARG . 1 1 25 CYS . 1 1 26 GLY . 1 1 27 ALA . 1 1 28 ASP . 1 1 29 LYS . 1 1 30 PHE . 1 1 31 ASP . 1 1 32 NH2 $NH2 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID ACE 1 1 1 1 LYS 2 2 1 1 PHE 3 3 1 1 GLU 4 4 1 1 ASP 5 5 1 1 TRP 6 6 1 1 LEU 7 7 1 1 CYS 8 8 1 1 ASN 9 9 1 1 LYS 10 10 1 1 CYS 11 11 1 1 CYS 12 12 1 1 LEU 13 13 1 1 ASN 14 14 1 1 ASN 15 15 1 1 PHE 16 16 1 1 ARG 17 17 1 1 LYS 18 18 1 1 ARG 19 19 1 1 LEU 20 20 1 1 LYS 21 21 1 1 CYS 22 22 1 1 PHE 23 23 1 1 ARG 24 24 1 1 CYS 25 25 1 1 GLY 26 26 1 1 ALA 27 27 1 1 ASP 28 28 1 1 LYS 29 29 1 1 PHE 30 30 1 1 ASP 31 31 1 1 NH2 32 32 1 1 stop_ save_ save_ZINC_ION _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 2 _Entity.Name "ZINC ION" _Entity.Type non-polymer loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 ZN $ZN 1 2 stop_ save_ save_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID NH2 _Chem_comp.Type non-polymer save_ save_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID ZN _Chem_comp.Type non-polymer save_ save_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID ACE _Chem_comp.Type non-polymer save_ save_DYANA/DIANA_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 1 . . . 1 1 196 1 . . . 1 1 197 1 . . . 1 1 198 1 . . . 1 1 199 1 . . . 1 1 200 1 . . . 1 1 201 1 . . . 1 1 202 1 . . . 1 1 203 1 . . . 1 1 204 1 . . . 1 1 205 1 . . . 1 1 206 1 . . . 1 1 207 1 . . . 1 1 208 1 . . . 1 1 209 1 . . . 1 1 210 1 . . . 1 1 211 1 . . . 1 1 212 1 . . . 1 1 213 1 . . . 1 1 214 1 . . . 1 1 215 1 . . . 1 1 216 1 . . . 1 1 217 1 . . . 1 1 218 1 . . . 1 1 219 1 . . . 1 1 220 1 . . . 1 1 221 1 . . . 1 1 222 1 . . . 1 1 223 1 . . . 1 1 224 1 . . . 1 1 225 1 . . . 1 1 226 1 . . . 1 1 227 1 . . . 1 1 228 1 . . . 1 1 229 1 . . . 1 1 230 1 . . . 1 1 231 1 . . . 1 1 232 1 . . . 1 1 233 1 . . . 1 1 234 1 . . . 1 1 235 1 . . . 1 1 236 1 . . . 1 1 237 1 . . . 1 1 238 1 . . . 1 1 239 1 . . . 1 1 240 1 . . . 1 1 241 1 . . . 1 1 242 1 . . . 1 1 243 1 . . . 1 1 244 1 . . . 1 1 245 1 . . . 1 1 246 1 . . . 1 1 247 1 . . . 1 1 248 1 . . . 1 1 249 1 . . . 1 1 250 1 . . . 1 1 251 1 . . . 1 1 252 1 . . . 1 1 253 1 . . . 1 1 254 1 . . . 1 1 255 1 . . . 1 1 256 1 . . . 1 1 257 1 . . . 1 1 258 1 . . . 1 1 259 1 . . . 1 1 260 1 . . . 1 1 261 1 . . . 1 1 262 1 . . . 1 1 263 1 . . . 1 1 264 1 . . . 1 1 265 1 . . . 1 1 266 1 . . . 1 1 267 1 . . . 1 1 268 1 . . . 1 1 269 1 . . . 1 1 270 1 . . . 1 1 271 1 . . . 1 1 272 1 . . . 1 1 273 1 . . . 1 1 274 1 . . . 1 1 275 1 . . . 1 1 276 1 . . . 1 1 277 1 . . . 1 1 278 1 . . . 1 1 279 1 . . . 1 1 280 1 . . . 1 1 281 1 . . . 1 1 282 1 . . . 1 1 283 1 . . . 1 1 284 1 . . . 1 1 285 1 . . . 1 1 286 1 . . . 1 1 287 1 . . . 1 1 288 1 . . . 1 1 289 1 . . . 1 1 290 1 . . . 1 1 291 1 . . . 1 1 292 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 2 LYS H . 1 LYS H 1 1 1 1 2 1 1 2 LYS HB2 . 1 LYS HB2 1 1 2 1 1 1 1 2 LYS H . 1 LYS H 1 1 2 1 2 1 1 2 LYS HB3 . 1 LYS HB3 1 1 3 1 1 1 1 2 LYS H . 1 LYS H 1 1 3 1 2 1 1 2 LYS QG . 1 LYS QG 1 1 4 1 1 1 1 2 LYS H . 1 LYS H 1 1 4 1 2 1 1 3 PHE H . 2 PHE H 1 1 5 1 1 1 1 2 LYS HA . 1 LYS HA 1 1 5 1 2 1 1 2 LYS QB . 1 LYS QB 1 1 6 1 1 1 1 2 LYS HA . 1 LYS HA 1 1 6 1 2 1 1 2 LYS QD . 1 LYS QD 1 1 7 1 1 1 1 2 LYS HA . 1 LYS HA 1 1 7 1 2 1 1 3 PHE H . 2 PHE H 1 1 8 1 1 1 1 2 LYS QB . 1 LYS QB 1 1 8 1 2 1 1 3 PHE H . 2 PHE H 1 1 9 1 1 1 1 2 LYS QB . 1 LYS QB 1 1 9 1 2 1 1 5 ASP H . 4 ASP H 1 1 10 1 1 1 1 3 PHE H . 2 PHE H 1 1 10 1 2 1 1 3 PHE HB2 . 2 PHE HB2 1 1 11 1 1 1 1 3 PHE H . 2 PHE H 1 1 11 1 2 1 1 3 PHE QB . 2 PHE QB 1 1 12 1 1 1 1 3 PHE H . 2 PHE H 1 1 12 1 2 1 1 3 PHE HB3 . 2 PHE HB3 1 1 13 1 1 1 1 3 PHE H . 2 PHE H 1 1 13 1 2 1 1 4 GLU H . 3 GLU H 1 1 14 1 1 1 1 3 PHE HA . 2 PHE HA 1 1 14 1 2 1 1 4 GLU H . 3 GLU H 1 1 15 1 1 1 1 4 GLU H . 3 GLU H 1 1 15 1 2 1 1 4 GLU QG . 3 GLU QG 1 1 16 1 1 1 1 4 GLU H . 3 GLU H 1 1 16 1 2 1 1 5 ASP H . 4 ASP H 1 1 17 1 1 1 1 4 GLU HA . 3 GLU HA 1 1 17 1 2 1 1 4 GLU QG . 3 GLU QG 1 1 18 1 1 1 1 4 GLU HA . 3 GLU HA 1 1 18 1 2 1 1 5 ASP H . 4 ASP H 1 1 19 1 1 1 1 4 GLU QB . 3 GLU QB 1 1 19 1 2 1 1 5 ASP H . 4 ASP H 1 1 20 1 1 1 1 4 GLU QG . 3 GLU QG 1 1 20 1 2 1 1 5 ASP H . 4 ASP H 1 1 21 1 1 1 1 5 ASP H . 4 ASP H 1 1 21 1 2 1 1 5 ASP QB . 4 ASP QB 1 1 22 1 1 1 1 5 ASP H . 4 ASP H 1 1 22 1 2 1 1 6 TRP H . 5 TRP H 1 1 23 1 1 1 1 5 ASP H . 4 ASP H 1 1 23 1 2 1 1 17 ARG QB . 16 ARG QB 1 1 24 1 1 1 1 5 ASP HA . 4 ASP HA 1 1 24 1 2 1 1 6 TRP H . 5 TRP H 1 1 25 1 1 1 1 5 ASP HA . 4 ASP HA 1 1 25 1 2 1 1 6 TRP HD1 . 5 TRP HD1 1 1 26 1 1 1 1 5 ASP HA . 4 ASP HA 1 1 26 1 2 1 1 17 ARG H . 16 ARG H 1 1 27 1 1 1 1 5 ASP HA . 4 ASP HA 1 1 27 1 2 1 1 17 ARG HA . 16 ARG HA 1 1 28 1 1 1 1 5 ASP QB . 4 ASP QB 1 1 28 1 2 1 1 6 TRP H . 5 TRP H 1 1 29 1 1 1 1 5 ASP QB . 4 ASP QB 1 1 29 1 2 1 1 14 ASN QD . 13 ASN QD2 1 1 30 1 1 1 1 5 ASP HB2 . 4 ASP HB2 1 1 30 1 2 1 1 6 TRP H . 5 TRP H 1 1 31 1 1 1 1 5 ASP HB3 . 4 ASP HB3 1 1 31 1 2 1 1 6 TRP H . 5 TRP H 1 1 32 1 1 1 1 6 TRP H . 5 TRP H 1 1 32 1 2 1 1 6 TRP HB3 . 5 TRP HB3 1 1 33 1 1 1 1 6 TRP H . 5 TRP H 1 1 33 1 2 1 1 6 TRP HD1 . 5 TRP HD1 1 1 34 1 1 1 1 6 TRP H . 5 TRP H 1 1 34 1 2 1 1 14 ASN QB . 13 ASN QB 1 1 35 1 1 1 1 6 TRP H . 5 TRP H 1 1 35 1 2 1 1 15 ASN H . 14 ASN H 1 1 36 1 1 1 1 6 TRP H . 5 TRP H 1 1 36 1 2 1 1 15 ASN QB . 14 ASN QB 1 1 37 1 1 1 1 6 TRP HA . 5 TRP HA 1 1 37 1 2 1 1 6 TRP HB2 . 5 TRP HB2 1 1 38 1 1 1 1 6 TRP HA . 5 TRP HA 1 1 38 1 2 1 1 6 TRP HB3 . 5 TRP HB3 1 1 39 1 1 1 1 6 TRP HA . 5 TRP HA 1 1 39 1 2 1 1 7 LEU H . 6 LEU H 1 1 40 1 1 1 1 6 TRP HB2 . 5 TRP HB2 1 1 40 1 2 1 1 6 TRP HD1 . 5 TRP HD1 1 1 41 1 1 1 1 6 TRP HB2 . 5 TRP HB2 1 1 41 1 2 1 1 6 TRP HE3 . 5 TRP HE3 1 1 42 1 1 1 1 6 TRP HB2 . 5 TRP HB2 1 1 42 1 2 1 1 7 LEU H . 6 LEU H 1 1 43 1 1 1 1 6 TRP HB2 . 5 TRP HB2 1 1 43 1 2 1 1 29 LYS QE . 28 LYS QE 1 1 44 1 1 1 1 6 TRP HB3 . 5 TRP HB3 1 1 44 1 2 1 1 6 TRP HD1 . 5 TRP HD1 1 1 45 1 1 1 1 6 TRP HB3 . 5 TRP HB3 1 1 45 1 2 1 1 7 LEU H . 6 LEU H 1 1 46 1 1 1 1 6 TRP HB3 . 5 TRP HB3 1 1 46 1 2 1 1 29 LYS QE . 28 LYS QE 1 1 47 1 1 1 1 6 TRP HD1 . 5 TRP HD1 1 1 47 1 2 1 1 17 ARG H . 16 ARG H 1 1 48 1 1 1 1 6 TRP HD1 . 5 TRP HD1 1 1 48 1 2 1 1 17 ARG HA . 16 ARG HA 1 1 49 1 1 1 1 6 TRP HD1 . 5 TRP HD1 1 1 49 1 2 1 1 17 ARG QB . 16 ARG QB 1 1 50 1 1 1 1 6 TRP HD1 . 5 TRP HD1 1 1 50 1 2 1 1 29 LYS QE . 28 LYS QE 1 1 51 1 1 1 1 6 TRP HE1 . 5 TRP HE1 1 1 51 1 2 1 1 19 ARG H . 18 ARG H 1 1 52 1 1 1 1 6 TRP HE1 . 5 TRP HE1 1 1 52 1 2 1 1 19 ARG QB . 18 ARG QB 1 1 53 1 1 1 1 6 TRP HE3 . 5 TRP HE3 1 1 53 1 2 1 1 7 LEU QB . 6 LEU QB 1 1 54 1 1 1 1 6 TRP HE3 . 5 TRP HE3 1 1 54 1 2 1 1 8 CYS HA . 7 CYS HA 1 1 55 1 1 1 1 6 TRP HE3 . 5 TRP HE3 1 1 55 1 2 1 1 29 LYS HA . 28 LYS HA 1 1 56 1 1 1 1 6 TRP HE3 . 5 TRP HE3 1 1 56 1 2 1 1 29 LYS QE . 28 LYS QE 1 1 57 1 1 1 1 6 TRP HE3 . 5 TRP HE3 1 1 57 1 2 1 1 29 LYS QG . 28 LYS QG 1 1 58 1 1 1 1 6 TRP HH2 . 5 TRP HH2 1 1 58 1 2 1 1 8 CYS QB . 7 CYS QB 1 1 59 1 1 1 1 6 TRP HH2 . 5 TRP HH2 1 1 59 1 2 1 1 15 ASN QB . 14 ASN QB 1 1 60 1 1 1 1 6 TRP HH2 . 5 TRP HH2 1 1 60 1 2 1 1 21 LYS HA . 20 LYS HA 1 1 61 1 1 1 1 6 TRP HH2 . 5 TRP HH2 1 1 61 1 2 1 1 22 CYS H . 21 CYS H 1 1 62 1 1 1 1 6 TRP HH2 . 5 TRP HH2 1 1 62 1 2 1 1 22 CYS HA . 21 CYS HA 1 1 63 1 1 1 1 6 TRP HH2 . 5 TRP HH2 1 1 63 1 2 1 1 22 CYS HB2 . 21 CYS HB2 1 1 64 1 1 1 1 6 TRP HH2 . 5 TRP HH2 1 1 64 1 2 1 1 22 CYS QB . 21 CYS QB 1 1 65 1 1 1 1 6 TRP HH2 . 5 TRP HH2 1 1 65 1 2 1 1 22 CYS HB3 . 21 CYS HB3 1 1 66 1 1 1 1 6 TRP HZ2 . 5 TRP HZ2 1 1 66 1 2 1 1 15 ASN QB . 14 ASN QB 1 1 67 1 1 1 1 6 TRP HZ2 . 5 TRP HZ2 1 1 67 1 2 1 1 19 ARG HB2 . 18 ARG HB2 1 1 68 1 1 1 1 6 TRP HZ2 . 5 TRP HZ2 1 1 68 1 2 1 1 19 ARG HB3 . 18 ARG HB3 1 1 69 1 1 1 1 6 TRP HZ2 . 5 TRP HZ2 1 1 69 1 2 1 1 20 LEU HA . 19 LEU HA 1 1 70 1 1 1 1 6 TRP HZ2 . 5 TRP HZ2 1 1 70 1 2 1 1 21 LYS HA . 20 LYS HA 1 1 71 1 1 1 1 6 TRP HZ2 . 5 TRP HZ2 1 1 71 1 2 1 1 22 CYS H . 21 CYS H 1 1 72 1 1 1 1 6 TRP HZ2 . 5 TRP HZ2 1 1 72 1 2 1 1 22 CYS HA . 21 CYS HA 1 1 73 1 1 1 1 6 TRP HZ2 . 5 TRP HZ2 1 1 73 1 2 1 1 29 LYS QG . 28 LYS QG 1 1 74 1 1 1 1 6 TRP HZ3 . 5 TRP HZ3 1 1 74 1 2 1 1 8 CYS HA . 7 CYS HA 1 1 75 1 1 1 1 6 TRP HZ3 . 5 TRP HZ3 1 1 75 1 2 1 1 8 CYS HB2 . 7 CYS HB2 1 1 76 1 1 1 1 6 TRP HZ3 . 5 TRP HZ3 1 1 76 1 2 1 1 8 CYS QB . 7 CYS QB 1 1 77 1 1 1 1 6 TRP HZ3 . 5 TRP HZ3 1 1 77 1 2 1 1 8 CYS HB3 . 7 CYS HB3 1 1 78 1 1 1 1 6 TRP HZ3 . 5 TRP HZ3 1 1 78 1 2 1 1 9 ASN H . 8 ASN H 1 1 79 1 1 1 1 7 LEU H . 6 LEU H 1 1 79 1 2 1 1 7 LEU QB . 6 LEU QB 1 1 80 1 1 1 1 7 LEU H . 6 LEU H 1 1 80 1 2 1 1 7 LEU HG . 6 LEU HG 1 1 81 1 1 1 1 7 LEU H . 6 LEU H 1 1 81 1 2 1 1 8 CYS H . 7 CYS H 1 1 82 1 1 1 1 7 LEU HA . 6 LEU HA 1 1 82 1 2 1 1 7 LEU MD1 . 6 LEU QD1 1 1 83 1 1 1 1 7 LEU HA . 6 LEU HA 1 1 83 1 2 1 1 7 LEU QD . 6 LEU QQD 1 1 84 1 1 1 1 7 LEU HA . 6 LEU HA 1 1 84 1 2 1 1 7 LEU MD2 . 6 LEU QD2 1 1 85 1 1 1 1 7 LEU HA . 6 LEU HA 1 1 85 1 2 1 1 7 LEU HG . 6 LEU HG 1 1 86 1 1 1 1 7 LEU HA . 6 LEU HA 1 1 86 1 2 1 1 14 ASN HA . 13 ASN HA 1 1 87 1 1 1 1 7 LEU HA . 6 LEU HA 1 1 87 1 2 1 1 15 ASN H . 14 ASN H 1 1 88 1 1 1 1 7 LEU QB . 6 LEU QB 1 1 88 1 2 1 1 8 CYS H . 7 CYS H 1 1 89 1 1 1 1 7 LEU QD . 6 LEU QQD 1 1 89 1 2 1 1 8 CYS H . 7 CYS H 1 1 90 1 1 1 1 7 LEU QD . 6 LEU QQD 1 1 90 1 2 1 1 13 LEU HA . 12 LEU HA 1 1 91 1 1 1 1 7 LEU QD . 6 LEU QQD 1 1 91 1 2 1 1 14 ASN HA . 13 ASN HA 1 1 92 1 1 1 1 7 LEU QD . 6 LEU QQD 1 1 92 1 2 1 1 14 ASN QD . 13 ASN QD2 1 1 93 1 1 1 1 7 LEU MD1 . 6 LEU QD1 1 1 93 1 2 1 1 14 ASN HA . 13 ASN HA 1 1 94 1 1 1 1 7 LEU MD2 . 6 LEU QD2 1 1 94 1 2 1 1 14 ASN HA . 13 ASN HA 1 1 95 1 1 1 1 7 LEU HG . 6 LEU HG 1 1 95 1 2 1 1 8 CYS H . 7 CYS H 1 1 96 1 1 1 1 8 CYS H . 7 CYS H 1 1 96 1 2 1 1 8 CYS HB2 . 7 CYS HB2 1 1 97 1 1 1 1 8 CYS H . 7 CYS H 1 1 97 1 2 1 1 8 CYS QB . 7 CYS QB 1 1 98 1 1 1 1 8 CYS H . 7 CYS H 1 1 98 1 2 1 1 8 CYS HB3 . 7 CYS HB3 1 1 99 1 1 1 1 8 CYS H . 7 CYS H 1 1 99 1 2 1 1 12 CYS HA . 11 CYS HA 1 1 100 1 1 1 1 8 CYS H . 7 CYS H 1 1 100 1 2 1 1 14 ASN HA . 13 ASN HA 1 1 101 1 1 1 1 8 CYS HA . 7 CYS HA 1 1 101 1 2 1 1 9 ASN H . 8 ASN H 1 1 102 1 1 1 1 8 CYS QB . 7 CYS QB 1 1 102 1 2 1 1 11 CYS H . 10 CYS H 1 1 103 1 1 1 1 8 CYS QB . 7 CYS QB 1 1 103 1 2 1 1 12 CYS H . 11 CYS H 1 1 104 1 1 1 1 9 ASN H . 8 ASN H 1 1 104 1 2 1 1 9 ASN HB2 . 8 ASN HB2 1 1 105 1 1 1 1 9 ASN H . 8 ASN H 1 1 105 1 2 1 1 9 ASN QB . 8 ASN QB 1 1 106 1 1 1 1 9 ASN H . 8 ASN H 1 1 106 1 2 1 1 9 ASN HB3 . 8 ASN HB3 1 1 107 1 1 1 1 9 ASN H . 8 ASN H 1 1 107 1 2 1 1 10 LYS H . 9 LYS H 1 1 108 1 1 1 1 9 ASN HA . 8 ASN HA 1 1 108 1 2 1 1 9 ASN HB2 . 8 ASN HB2 1 1 109 1 1 1 1 9 ASN HA . 8 ASN HA 1 1 109 1 2 1 1 9 ASN QB . 8 ASN QB 1 1 110 1 1 1 1 9 ASN HA . 8 ASN HA 1 1 110 1 2 1 1 9 ASN HB3 . 8 ASN HB3 1 1 111 1 1 1 1 9 ASN QB . 8 ASN QB 1 1 111 1 2 1 1 9 ASN QD . 8 ASN QD2 1 1 112 1 1 1 1 10 LYS H . 9 LYS H 1 1 112 1 2 1 1 11 CYS H . 10 CYS H 1 1 113 1 1 1 1 10 LYS HA . 9 LYS HA 1 1 113 1 2 1 1 10 LYS HD2 . 9 LYS HD2 1 1 114 1 1 1 1 10 LYS HA . 9 LYS HA 1 1 114 1 2 1 1 10 LYS QD . 9 LYS QD 1 1 115 1 1 1 1 10 LYS HA . 9 LYS HA 1 1 115 1 2 1 1 10 LYS HD3 . 9 LYS HD3 1 1 116 1 1 1 1 10 LYS QB . 9 LYS QB 1 1 116 1 2 1 1 10 LYS HD2 . 9 LYS HD2 1 1 117 1 1 1 1 10 LYS QB . 9 LYS QB 1 1 117 1 2 1 1 10 LYS HD3 . 9 LYS HD3 1 1 118 1 1 1 1 10 LYS QB . 9 LYS QB 1 1 118 1 2 1 1 11 CYS H . 10 CYS H 1 1 119 1 1 1 1 11 CYS H . 10 CYS H 1 1 119 1 2 1 1 11 CYS QB . 10 CYS QB 1 1 120 1 1 1 1 11 CYS H . 10 CYS H 1 1 120 1 2 1 1 12 CYS H . 11 CYS H 1 1 121 1 1 1 1 11 CYS QB . 10 CYS QB 1 1 121 1 2 1 1 24 ARG QD . 23 ARG QD 1 1 122 1 1 1 1 11 CYS QB . 10 CYS QB 1 1 122 1 2 1 1 24 ARG HE . 23 ARG HE 1 1 123 1 1 1 1 12 CYS H . 11 CYS H 1 1 123 1 2 1 1 12 CYS HA . 11 CYS HA 1 1 124 1 1 1 1 13 LEU HA . 12 LEU HA 1 1 124 1 2 1 1 13 LEU QD . 12 LEU QQD 1 1 125 1 1 1 1 13 LEU HA . 12 LEU HA 1 1 125 1 2 1 1 13 LEU HG . 12 LEU HG 1 1 126 1 1 1 1 13 LEU HA . 12 LEU HA 1 1 126 1 2 1 1 14 ASN H . 13 ASN H 1 1 127 1 1 1 1 13 LEU QB . 12 LEU QB 1 1 127 1 2 1 1 14 ASN H . 13 ASN H 1 1 128 1 1 1 1 13 LEU QD . 12 LEU QQD 1 1 128 1 2 1 1 14 ASN H . 13 ASN H 1 1 129 1 1 1 1 13 LEU QD . 12 LEU QQD 1 1 129 1 2 1 1 23 PHE H . 22 PHE H 1 1 130 1 1 1 1 13 LEU QD . 12 LEU QQD 1 1 130 1 2 1 1 23 PHE HB2 . 22 PHE HB2 1 1 131 1 1 1 1 13 LEU QD . 12 LEU QQD 1 1 131 1 2 1 1 23 PHE HB3 . 22 PHE HB3 1 1 132 1 1 1 1 13 LEU QD . 12 LEU QQD 1 1 132 1 2 1 1 23 PHE QD . 22 PHE QD 1 1 133 1 1 1 1 13 LEU QD . 12 LEU QQD 1 1 133 1 2 1 1 24 ARG H . 23 ARG H 1 1 134 1 1 1 1 13 LEU QD . 12 LEU QQD 1 1 134 1 2 1 1 24 ARG QB . 23 ARG QB 1 1 135 1 1 1 1 13 LEU QD . 12 LEU QQD 1 1 135 1 2 1 1 24 ARG QD . 23 ARG QD 1 1 136 1 1 1 1 13 LEU QD . 12 LEU QQD 1 1 136 1 2 1 1 24 ARG QG . 23 ARG QG 1 1 137 1 1 1 1 13 LEU QD . 12 LEU QQD 1 1 137 1 2 1 1 25 CYS H . 24 CYS H 1 1 138 1 1 1 1 13 LEU MD1 . 12 LEU QD1 1 1 138 1 2 1 1 24 ARG HE . 23 ARG HE 1 1 139 1 1 1 1 13 LEU MD1 . 12 LEU QD1 1 1 139 1 2 1 1 24 ARG HG2 . 23 ARG HG2 1 1 140 1 1 1 1 13 LEU MD1 . 12 LEU QD1 1 1 140 1 2 1 1 24 ARG HG3 . 23 ARG HG3 1 1 141 1 1 1 1 13 LEU MD2 . 12 LEU QD2 1 1 141 1 2 1 1 24 ARG HE . 23 ARG HE 1 1 142 1 1 1 1 13 LEU MD2 . 12 LEU QD2 1 1 142 1 2 1 1 24 ARG HG2 . 23 ARG HG2 1 1 143 1 1 1 1 13 LEU MD2 . 12 LEU QD2 1 1 143 1 2 1 1 24 ARG HG3 . 23 ARG HG3 1 1 144 1 1 1 1 13 LEU HG . 12 LEU HG 1 1 144 1 2 1 1 14 ASN H . 13 ASN H 1 1 145 1 1 1 1 13 LEU HG . 12 LEU HG 1 1 145 1 2 1 1 24 ARG HE . 23 ARG HE 1 1 146 1 1 1 1 14 ASN H . 13 ASN H 1 1 146 1 2 1 1 14 ASN HB2 . 13 ASN HB2 1 1 147 1 1 1 1 14 ASN H . 13 ASN H 1 1 147 1 2 1 1 14 ASN QB . 13 ASN QB 1 1 148 1 1 1 1 14 ASN H . 13 ASN H 1 1 148 1 2 1 1 14 ASN HB3 . 13 ASN HB3 1 1 149 1 1 1 1 14 ASN HA . 13 ASN HA 1 1 149 1 2 1 1 15 ASN H . 14 ASN H 1 1 150 1 1 1 1 14 ASN QB . 13 ASN QB 1 1 150 1 2 1 1 14 ASN QD . 13 ASN QD2 1 1 151 1 1 1 1 14 ASN QB . 13 ASN QB 1 1 151 1 2 1 1 15 ASN H . 14 ASN H 1 1 152 1 1 1 1 15 ASN H . 14 ASN H 1 1 152 1 2 1 1 15 ASN QB . 14 ASN QB 1 1 153 1 1 1 1 15 ASN HA . 14 ASN HA 1 1 153 1 2 1 1 16 PHE H . 15 PHE H 1 1 154 1 1 1 1 15 ASN QB . 14 ASN QB 1 1 154 1 2 1 1 19 ARG QB . 18 ARG QB 1 1 155 1 1 1 1 16 PHE H . 15 PHE H 1 1 155 1 2 1 1 16 PHE HB2 . 15 PHE HB2 1 1 156 1 1 1 1 16 PHE H . 15 PHE H 1 1 156 1 2 1 1 16 PHE QB . 15 PHE QB 1 1 157 1 1 1 1 16 PHE H . 15 PHE H 1 1 157 1 2 1 1 16 PHE HB3 . 15 PHE HB3 1 1 158 1 1 1 1 16 PHE HA . 15 PHE HA 1 1 158 1 2 1 1 17 ARG H . 16 ARG H 1 1 159 1 1 1 1 16 PHE QB . 15 PHE QB 1 1 159 1 2 1 1 17 ARG H . 16 ARG H 1 1 160 1 1 1 1 16 PHE QB . 15 PHE QB 1 1 160 1 2 1 1 18 LYS QB . 17 LYS QB 1 1 161 1 1 1 1 16 PHE QD . 15 PHE QD 1 1 161 1 2 1 1 17 ARG H . 16 ARG H 1 1 162 1 1 1 1 16 PHE QD . 15 PHE QD 1 1 162 1 2 1 1 17 ARG QG . 16 ARG QG 1 1 163 1 1 1 1 16 PHE QD . 15 PHE QD 1 1 163 1 2 1 1 18 LYS H . 17 LYS H 1 1 164 1 1 1 1 16 PHE QD . 15 PHE QD 1 1 164 1 2 1 1 18 LYS HB2 . 17 LYS HB2 1 1 165 1 1 1 1 16 PHE QD . 15 PHE QD 1 1 165 1 2 1 1 18 LYS QB . 17 LYS QB 1 1 166 1 1 1 1 16 PHE QD . 15 PHE QD 1 1 166 1 2 1 1 18 LYS HB3 . 17 LYS HB3 1 1 167 1 1 1 1 16 PHE QD . 15 PHE QD 1 1 167 1 2 1 1 18 LYS QD . 17 LYS QD 1 1 168 1 1 1 1 16 PHE QD . 15 PHE QD 1 1 168 1 2 1 1 18 LYS QE . 17 LYS QE 1 1 169 1 1 1 1 16 PHE QD . 15 PHE QD 1 1 169 1 2 1 1 18 LYS QG . 17 LYS QG 1 1 170 1 1 1 1 16 PHE QD . 15 PHE QD 1 1 170 1 2 1 1 19 ARG H . 18 ARG H 1 1 171 1 1 1 1 16 PHE QE . 15 PHE QE 1 1 171 1 2 1 1 18 LYS QD . 17 LYS QD 1 1 172 1 1 1 1 16 PHE QE . 15 PHE QE 1 1 172 1 2 1 1 18 LYS QG . 17 LYS QG 1 1 173 1 1 1 1 17 ARG H . 16 ARG H 1 1 173 1 2 1 1 17 ARG HB2 . 16 ARG HB2 1 1 174 1 1 1 1 17 ARG H . 16 ARG H 1 1 174 1 2 1 1 17 ARG QB . 16 ARG QB 1 1 175 1 1 1 1 17 ARG H . 16 ARG H 1 1 175 1 2 1 1 17 ARG HB3 . 16 ARG HB3 1 1 176 1 1 1 1 17 ARG H . 16 ARG H 1 1 176 1 2 1 1 17 ARG QD . 16 ARG QD 1 1 177 1 1 1 1 17 ARG H . 16 ARG H 1 1 177 1 2 1 1 17 ARG QG . 16 ARG QG 1 1 178 1 1 1 1 17 ARG H . 16 ARG H 1 1 178 1 2 1 1 18 LYS H . 17 LYS H 1 1 179 1 1 1 1 17 ARG QB . 16 ARG QB 1 1 179 1 2 1 1 17 ARG QD . 16 ARG QD 1 1 180 1 1 1 1 17 ARG QB . 16 ARG QB 1 1 180 1 2 1 1 17 ARG QG . 16 ARG QG 1 1 181 1 1 1 1 18 LYS H . 17 LYS H 1 1 181 1 2 1 1 19 ARG H . 18 ARG H 1 1 182 1 1 1 1 18 LYS HA . 17 LYS HA 1 1 182 1 2 1 1 18 LYS HB2 . 17 LYS HB2 1 1 183 1 1 1 1 18 LYS HA . 17 LYS HA 1 1 183 1 2 1 1 18 LYS QB . 17 LYS QB 1 1 184 1 1 1 1 18 LYS HA . 17 LYS HA 1 1 184 1 2 1 1 18 LYS HB3 . 17 LYS HB3 1 1 185 1 1 1 1 18 LYS HA . 17 LYS HA 1 1 185 1 2 1 1 18 LYS QD . 17 LYS QD 1 1 186 1 1 1 1 18 LYS HA . 17 LYS HA 1 1 186 1 2 1 1 18 LYS QG . 17 LYS QG 1 1 187 1 1 1 1 18 LYS HA . 17 LYS HA 1 1 187 1 2 1 1 19 ARG H . 18 ARG H 1 1 188 1 1 1 1 18 LYS QB . 17 LYS QB 1 1 188 1 2 1 1 18 LYS QD . 17 LYS QD 1 1 189 1 1 1 1 18 LYS QB . 17 LYS QB 1 1 189 1 2 1 1 19 ARG H . 18 ARG H 1 1 190 1 1 1 1 19 ARG H . 18 ARG H 1 1 190 1 2 1 1 19 ARG HB2 . 18 ARG HB2 1 1 191 1 1 1 1 19 ARG H . 18 ARG H 1 1 191 1 2 1 1 19 ARG HB3 . 18 ARG HB3 1 1 192 1 1 1 1 19 ARG H . 18 ARG H 1 1 192 1 2 1 1 19 ARG QG . 18 ARG QG 1 1 193 1 1 1 1 19 ARG H . 18 ARG H 1 1 193 1 2 1 1 20 LEU H . 19 LEU H 1 1 194 1 1 1 1 19 ARG HA . 18 ARG HA 1 1 194 1 2 1 1 19 ARG HD2 . 18 ARG HD2 1 1 195 1 1 1 1 19 ARG HA . 18 ARG HA 1 1 195 1 2 1 1 19 ARG QD . 18 ARG QD 1 1 196 1 1 1 1 19 ARG HA . 18 ARG HA 1 1 196 1 2 1 1 19 ARG HD3 . 18 ARG HD3 1 1 197 1 1 1 1 19 ARG HA . 18 ARG HA 1 1 197 1 2 1 1 19 ARG QG . 18 ARG QG 1 1 198 1 1 1 1 19 ARG HA . 18 ARG HA 1 1 198 1 2 1 1 20 LEU H . 19 LEU H 1 1 199 1 1 1 1 19 ARG HA . 18 ARG HA 1 1 199 1 2 1 1 21 LYS H . 20 LYS H 1 1 200 1 1 1 1 19 ARG QB . 18 ARG QB 1 1 200 1 2 1 1 19 ARG QD . 18 ARG QD 1 1 201 1 1 1 1 19 ARG QB . 18 ARG QB 1 1 201 1 2 1 1 20 LEU H . 19 LEU H 1 1 202 1 1 1 1 19 ARG QB . 18 ARG QB 1 1 202 1 2 1 1 21 LYS H . 20 LYS H 1 1 203 1 1 1 1 19 ARG QD . 18 ARG QD 1 1 203 1 2 1 1 23 PHE H . 22 PHE H 1 1 204 1 1 1 1 19 ARG HE . 18 ARG HE 1 1 204 1 2 1 1 23 PHE H . 22 PHE H 1 1 205 1 1 1 1 20 LEU H . 19 LEU H 1 1 205 1 2 1 1 20 LEU QB . 19 LEU QB 1 1 206 1 1 1 1 20 LEU H . 19 LEU H 1 1 206 1 2 1 1 20 LEU HG . 19 LEU HG 1 1 207 1 1 1 1 20 LEU H . 19 LEU H 1 1 207 1 2 1 1 21 LYS H . 20 LYS H 1 1 208 1 1 1 1 20 LEU HA . 19 LEU HA 1 1 208 1 2 1 1 20 LEU QD . 19 LEU QQD 1 1 209 1 1 1 1 20 LEU QB . 19 LEU QB 1 1 209 1 2 1 1 21 LYS H . 20 LYS H 1 1 210 1 1 1 1 21 LYS H . 20 LYS H 1 1 210 1 2 1 1 21 LYS QB . 20 LYS QB 1 1 211 1 1 1 1 21 LYS H . 20 LYS H 1 1 211 1 2 1 1 21 LYS QG . 20 LYS QG 1 1 212 1 1 1 1 21 LYS HA . 20 LYS HA 1 1 212 1 2 1 1 28 ASP HA . 27 ASP HA 1 1 213 1 1 1 1 21 LYS HA . 20 LYS HA 1 1 213 1 2 1 1 29 LYS H . 28 LYS H 1 1 214 1 1 1 1 21 LYS QB . 20 LYS QB 1 1 214 1 2 1 1 22 CYS H . 21 CYS H 1 1 215 1 1 1 1 22 CYS H . 21 CYS H 1 1 215 1 2 1 1 22 CYS HB2 . 21 CYS HB2 1 1 216 1 1 1 1 22 CYS H . 21 CYS H 1 1 216 1 2 1 1 22 CYS QB . 21 CYS QB 1 1 217 1 1 1 1 22 CYS H . 21 CYS H 1 1 217 1 2 1 1 22 CYS HB3 . 21 CYS HB3 1 1 218 1 1 1 1 22 CYS H . 21 CYS H 1 1 218 1 2 1 1 26 GLY H . 25 GLY H 1 1 219 1 1 1 1 22 CYS HA . 21 CYS HA 1 1 219 1 2 1 1 23 PHE H . 22 PHE H 1 1 220 1 1 1 1 22 CYS QB . 21 CYS QB 1 1 220 1 2 1 1 26 GLY H . 25 GLY H 1 1 221 1 1 1 1 22 CYS QB . 21 CYS QB 1 1 221 1 2 1 1 27 ALA H . 26 ALA H 1 1 222 1 1 1 1 23 PHE H . 22 PHE H 1 1 222 1 2 1 1 23 PHE HB2 . 22 PHE HB2 1 1 223 1 1 1 1 23 PHE H . 22 PHE H 1 1 223 1 2 1 1 23 PHE HB3 . 22 PHE HB3 1 1 224 1 1 1 1 23 PHE H . 22 PHE H 1 1 224 1 2 1 1 24 ARG H . 23 ARG H 1 1 225 1 1 1 1 23 PHE HA . 22 PHE HA 1 1 225 1 2 1 1 23 PHE HB2 . 22 PHE HB2 1 1 226 1 1 1 1 23 PHE HB2 . 22 PHE HB2 1 1 226 1 2 1 1 24 ARG H . 23 ARG H 1 1 227 1 1 1 1 23 PHE HB3 . 22 PHE HB3 1 1 227 1 2 1 1 24 ARG H . 23 ARG H 1 1 228 1 1 1 1 24 ARG H . 23 ARG H 1 1 228 1 2 1 1 24 ARG HB2 . 23 ARG HB2 1 1 229 1 1 1 1 24 ARG H . 23 ARG H 1 1 229 1 2 1 1 24 ARG QB . 23 ARG QB 1 1 230 1 1 1 1 24 ARG H . 23 ARG H 1 1 230 1 2 1 1 24 ARG HB3 . 23 ARG HB3 1 1 231 1 1 1 1 24 ARG H . 23 ARG H 1 1 231 1 2 1 1 24 ARG HG2 . 23 ARG HG2 1 1 232 1 1 1 1 24 ARG H . 23 ARG H 1 1 232 1 2 1 1 24 ARG QG . 23 ARG QG 1 1 233 1 1 1 1 24 ARG H . 23 ARG H 1 1 233 1 2 1 1 24 ARG HG3 . 23 ARG HG3 1 1 234 1 1 1 1 24 ARG H . 23 ARG H 1 1 234 1 2 1 1 25 CYS H . 24 CYS H 1 1 235 1 1 1 1 24 ARG H . 23 ARG H 1 1 235 1 2 1 1 26 GLY H . 25 GLY H 1 1 236 1 1 1 1 24 ARG HA . 23 ARG HA 1 1 236 1 2 1 1 24 ARG QD . 23 ARG QD 1 1 237 1 1 1 1 24 ARG QB . 23 ARG QB 1 1 237 1 2 1 1 24 ARG QD . 23 ARG QD 1 1 238 1 1 1 1 24 ARG QB . 23 ARG QB 1 1 238 1 2 1 1 24 ARG HE . 23 ARG HE 1 1 239 1 1 1 1 24 ARG QB . 23 ARG QB 1 1 239 1 2 1 1 24 ARG QG . 23 ARG QG 1 1 240 1 1 1 1 24 ARG QB . 23 ARG QB 1 1 240 1 2 1 1 25 CYS H . 24 CYS H 1 1 241 1 1 1 1 24 ARG HB2 . 23 ARG HB2 1 1 241 1 2 1 1 24 ARG HD2 . 23 ARG HD2 1 1 242 1 1 1 1 24 ARG HB2 . 23 ARG HB2 1 1 242 1 2 1 1 24 ARG HD3 . 23 ARG HD3 1 1 243 1 1 1 1 24 ARG HB2 . 23 ARG HB2 1 1 243 1 2 1 1 25 CYS H . 24 CYS H 1 1 244 1 1 1 1 24 ARG HB3 . 23 ARG HB3 1 1 244 1 2 1 1 24 ARG HD2 . 23 ARG HD2 1 1 245 1 1 1 1 24 ARG HB3 . 23 ARG HB3 1 1 245 1 2 1 1 24 ARG HD3 . 23 ARG HD3 1 1 246 1 1 1 1 24 ARG HB3 . 23 ARG HB3 1 1 246 1 2 1 1 25 CYS H . 24 CYS H 1 1 247 1 1 1 1 24 ARG QD . 23 ARG QD 1 1 247 1 2 1 1 24 ARG QG . 23 ARG QG 1 1 248 1 1 1 1 24 ARG HE . 23 ARG HE 1 1 248 1 2 1 1 24 ARG HG2 . 23 ARG HG2 1 1 249 1 1 1 1 24 ARG HE . 23 ARG HE 1 1 249 1 2 1 1 24 ARG QG . 23 ARG QG 1 1 250 1 1 1 1 24 ARG HE . 23 ARG HE 1 1 250 1 2 1 1 24 ARG HG3 . 23 ARG HG3 1 1 251 1 1 1 1 24 ARG QG . 23 ARG QG 1 1 251 1 2 1 1 25 CYS H . 24 CYS H 1 1 252 1 1 1 1 25 CYS H . 24 CYS H 1 1 252 1 2 1 1 25 CYS HB2 . 24 CYS HB2 1 1 253 1 1 1 1 25 CYS H . 24 CYS H 1 1 253 1 2 1 1 25 CYS QB . 24 CYS QB 1 1 254 1 1 1 1 25 CYS H . 24 CYS H 1 1 254 1 2 1 1 25 CYS HB3 . 24 CYS HB3 1 1 255 1 1 1 1 25 CYS H . 24 CYS H 1 1 255 1 2 1 1 26 GLY H . 25 GLY H 1 1 256 1 1 1 1 26 GLY H . 25 GLY H 1 1 256 1 2 1 1 26 GLY HA2 . 25 GLY HA2 1 1 257 1 1 1 1 26 GLY H . 25 GLY H 1 1 257 1 2 1 1 26 GLY QA . 25 GLY QA 1 1 258 1 1 1 1 26 GLY H . 25 GLY H 1 1 258 1 2 1 1 26 GLY HA3 . 25 GLY HA3 1 1 259 1 1 1 1 26 GLY H . 25 GLY H 1 1 259 1 2 1 1 27 ALA H . 26 ALA H 1 1 260 1 1 1 1 26 GLY QA . 25 GLY QA 1 1 260 1 2 1 1 27 ALA MB . 26 ALA QB 1 1 261 1 1 1 1 27 ALA H . 26 ALA H 1 1 261 1 2 1 1 28 ASP H . 27 ASP H 1 1 262 1 1 1 1 27 ALA HA . 26 ALA HA 1 1 262 1 2 1 1 28 ASP H . 27 ASP H 1 1 263 1 1 1 1 27 ALA MB . 26 ALA QB 1 1 263 1 2 1 1 28 ASP H . 27 ASP H 1 1 264 1 1 1 1 28 ASP H . 27 ASP H 1 1 264 1 2 1 1 28 ASP HA . 27 ASP HA 1 1 265 1 1 1 1 28 ASP H . 27 ASP H 1 1 265 1 2 1 1 28 ASP HB2 . 27 ASP HB2 1 1 266 1 1 1 1 28 ASP H . 27 ASP H 1 1 266 1 2 1 1 28 ASP QB . 27 ASP QB 1 1 267 1 1 1 1 28 ASP H . 27 ASP H 1 1 267 1 2 1 1 28 ASP HB3 . 27 ASP HB3 1 1 268 1 1 1 1 28 ASP H . 27 ASP H 1 1 268 1 2 1 1 29 LYS H . 28 LYS H 1 1 269 1 1 1 1 28 ASP HA . 27 ASP HA 1 1 269 1 2 1 1 29 LYS H . 28 LYS H 1 1 270 1 1 1 1 28 ASP QB . 27 ASP QB 1 1 270 1 2 1 1 29 LYS H . 28 LYS H 1 1 271 1 1 1 1 28 ASP QB . 27 ASP QB 1 1 271 1 2 1 1 30 PHE H . 29 PHE H 1 1 272 1 1 1 1 29 LYS H . 28 LYS H 1 1 272 1 2 1 1 29 LYS QB . 28 LYS QB 1 1 273 1 1 1 1 29 LYS H . 28 LYS H 1 1 273 1 2 1 1 29 LYS QG . 28 LYS QG 1 1 274 1 1 1 1 29 LYS H . 28 LYS H 1 1 274 1 2 1 1 30 PHE H . 29 PHE H 1 1 275 1 1 1 1 29 LYS HA . 28 LYS HA 1 1 275 1 2 1 1 29 LYS QG . 28 LYS QG 1 1 276 1 1 1 1 29 LYS HA . 28 LYS HA 1 1 276 1 2 1 1 30 PHE H . 29 PHE H 1 1 277 1 1 1 1 29 LYS QB . 28 LYS QB 1 1 277 1 2 1 1 30 PHE H . 29 PHE H 1 1 278 1 1 1 1 29 LYS QD . 28 LYS QD 1 1 278 1 2 1 1 29 LYS QE . 28 LYS QE 1 1 279 1 1 1 1 29 LYS QD . 28 LYS QD 1 1 279 1 2 1 1 30 PHE H . 29 PHE H 1 1 280 1 1 1 1 29 LYS QE . 28 LYS QE 1 1 280 1 2 1 1 29 LYS QG . 28 LYS QG 1 1 281 1 1 1 1 29 LYS QG . 28 LYS QG 1 1 281 1 2 1 1 30 PHE H . 29 PHE H 1 1 282 1 1 1 1 29 LYS HG2 . 28 LYS HG2 1 1 282 1 2 1 1 30 PHE H . 29 PHE H 1 1 283 1 1 1 1 29 LYS HG3 . 28 LYS HG3 1 1 283 1 2 1 1 30 PHE H . 29 PHE H 1 1 284 1 1 1 1 30 PHE H . 29 PHE H 1 1 284 1 2 1 1 30 PHE HB2 . 29 PHE HB2 1 1 285 1 1 1 1 30 PHE H . 29 PHE H 1 1 285 1 2 1 1 30 PHE QB . 29 PHE QB 1 1 286 1 1 1 1 30 PHE H . 29 PHE H 1 1 286 1 2 1 1 30 PHE HB3 . 29 PHE HB3 1 1 287 1 1 1 1 30 PHE H . 29 PHE H 1 1 287 1 2 1 1 31 ASP H . 30 ASP H 1 1 288 1 1 1 1 30 PHE HA . 29 PHE HA 1 1 288 1 2 1 1 30 PHE HB2 . 29 PHE HB2 1 1 289 1 1 1 1 30 PHE HA . 29 PHE HA 1 1 289 1 2 1 1 30 PHE HB3 . 29 PHE HB3 1 1 290 1 1 1 1 30 PHE HA . 29 PHE HA 1 1 290 1 2 1 1 31 ASP H . 30 ASP H 1 1 291 1 1 1 1 30 PHE QB . 29 PHE QB 1 1 291 1 2 1 1 31 ASP H . 30 ASP H 1 1 292 1 1 1 1 31 ASP H . 30 ASP H 1 1 292 1 2 1 1 31 ASP QB . 30 ASP QB 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . . . 2.95 1 1 2 1 . . . . . . . 2.95 1 1 3 1 . . . . . . . 3.95 1 1 4 1 . . . . . . . 4.06 1 1 5 1 . . . . . . . 2.62 1 1 6 1 . . . . . . . 4.47 1 1 7 1 . . . . . . . 2.69 1 1 8 1 . . . . . . . 3.84 1 1 9 1 . . . . . . . 4.97 1 1 10 1 . . . . . . . 3.68 1 1 11 1 . . . . . . . 3.03 1 1 12 1 . . . . . . . 3.68 1 1 13 1 . . . . . . . 3.56 1 1 14 1 . . . . . . . 2.76 1 1 15 1 . . . . . . . 4.0 1 1 16 1 . . . . . . . 2.77 1 1 17 1 . . . . . . . 3.63 1 1 18 1 . . . . . . . 2.52 1 1 19 1 . . . . . . . 4.46 1 1 20 1 . . . . . . . 3.91 1 1 21 1 . . . . . . . 2.84 1 1 22 1 . . . . . . . 4.52 1 1 23 1 . . . . . . . 4.09 1 1 24 1 . . . . . . . 2.53 1 1 25 1 . . . . . . . 3.74 1 1 26 1 . . . . . . . 3.07 1 1 27 1 . . . . . . . 3.07 1 1 28 1 . . . . . . . 2.75 1 1 29 1 . . . . . . . 4.29 1 1 30 1 . . . . . . . 3.25 1 1 31 1 . . . . . . . 3.25 1 1 32 1 . . . . . . . 3.89 1 1 33 1 . . . . . . . 3.29 1 1 34 1 . . . . . . . 4.8 1 1 35 1 . . . . . . . 3.3 1 1 36 1 . . . . . . . 4.83 1 1 37 1 . . . . . . . 2.73 1 1 38 1 . . . . . . . 2.66 1 1 39 1 . . . . . . . 2.41 1 1 40 1 . . . . . . . 3.7 1 1 41 1 . . . . . . . 2.81 1 1 42 1 . . . . . . . 3.15 1 1 43 1 . . . . . . . 4.73 1 1 44 1 . . . . . . . 3.01 1 1 45 1 . . . . . . . 3.65 1 1 46 1 . . . . . . . 3.84 1 1 47 1 . . . . . . . 4.64 1 1 48 1 . . . . . . . 2.56 1 1 49 1 . . . . . . . 5.34 1 1 50 1 . . . . . . . 3.55 1 1 51 1 . . . . . . . 4.23 1 1 52 1 . . . . . . . 4.04 1 1 53 1 . . . . . . . 5.24 1 1 54 1 . . . . . . . 3.24 1 1 55 1 . . . . . . . 4.19 1 1 56 1 . . . . . . . 4.19 1 1 57 1 . . . . . . . 5.34 1 1 58 1 . . . . . . . 3.62 1 1 59 1 . . . . . . . 3.29 1 1 60 1 . . . . . . . 3.59 1 1 61 1 . . . . . . . 3.0 1 1 62 1 . . . . . . . 3.25 1 1 63 1 . . . . . . . 3.85 1 1 64 1 . . . . . . . 3.07 1 1 65 1 . . . . . . . 3.85 1 1 66 1 . . . . . . . 4.57 1 1 67 1 . . . . . . . 3.63 1 1 68 1 . . . . . . . 3.63 1 1 69 1 . . . . . . . 4.92 1 1 70 1 . . . . . . . 5.27 1 1 71 1 . . . . . . . 4.58 1 1 72 1 . . . . . . . 4.52 1 1 73 1 . . . . . . . 3.94 1 1 74 1 . . . . . . . 2.72 1 1 75 1 . . . . . . . 3.84 1 1 76 1 . . . . . . . 3.04 1 1 77 1 . . . . . . . 3.84 1 1 78 1 . . . . . . . 4.3 1 1 79 1 . . . . . . . 3.49 1 1 80 1 . . . . . . . 4.03 1 1 81 1 . . . . . . . 5.09 1 1 82 1 . . . . . . . 4.67 1 1 83 1 . . . . . . . 4.04 1 1 84 1 . . . . . . . 4.67 1 1 85 1 . . . . . . . 3.59 1 1 86 1 . . . . . . . 3.07 1 1 87 1 . . . . . . . 3.81 1 1 88 1 . . . . . . . 4.53 1 1 89 1 . . . . . . . 4.68 1 1 90 1 . . . . . . . 4.9 1 1 91 1 . . . . . . . 4.47 1 1 92 1 . . . . . . . 5.94 1 1 93 1 . . . . . . . 5.23 1 1 94 1 . . . . . . . 5.23 1 1 95 1 . . . . . . . 4.71 1 1 96 1 . . . . . . . 2.94 1 1 97 1 . . . . . . . 2.57 1 1 98 1 . . . . . . . 2.94 1 1 99 1 . . . . . . . 4.0 1 1 100 1 . . . . . . . 3.74 1 1 101 1 . . . . . . . 2.62 1 1 102 1 . . . . . . . 3.96 1 1 103 1 . . . . . . . 4.18 1 1 104 1 . . . . . . . 3.47 1 1 105 1 . . . . . . . 3.02 1 1 106 1 . . . . . . . 3.47 1 1 107 1 . . . . . . . 3.15 1 1 108 1 . . . . . . . 2.85 1 1 109 1 . . . . . . . 2.43 1 1 110 1 . . . . . . . 2.85 1 1 111 1 . . . . . . . 3.06 1 1 112 1 . . . . . . . 3.16 1 1 113 1 . . . . . . . 4.29 1 1 114 1 . . . . . . . 3.47 1 1 115 1 . . . . . . . 4.29 1 1 116 1 . . . . . . . 3.61 1 1 117 1 . . . . . . . 3.61 1 1 118 1 . . . . . . . 3.8 1 1 119 1 . . . . . . . 3.66 1 1 120 1 . . . . . . . 3.0 1 1 121 1 . . . . . . . 3.77 1 1 122 1 . . . . . . . 4.12 1 1 123 1 . . . . . . . 2.86 1 1 124 1 . . . . . . . 3.95 1 1 125 1 . . . . . . . 3.64 1 1 126 1 . . . . . . . 2.51 1 1 127 1 . . . . . . . 3.89 1 1 128 1 . . . . . . . 4.23 1 1 129 1 . . . . . . . 4.87 1 1 130 1 . . . . . . . 4.51 1 1 131 1 . . . . . . . 3.79 1 1 132 1 . . . . . . . 6.28 1 1 133 1 . . . . . . . 4.0 1 1 134 1 . . . . . . . 4.23 1 1 135 1 . . . . . . . 5.01 1 1 136 1 . . . . . . . 3.31 1 1 137 1 . . . . . . . 6.42 1 1 138 1 . . . . . . . 6.13 1 1 139 1 . . . . . . . 5.63 1 1 140 1 . . . . . . . 5.63 1 1 141 1 . . . . . . . 6.13 1 1 142 1 . . . . . . . 5.63 1 1 143 1 . . . . . . . 5.63 1 1 144 1 . . . . . . . 4.39 1 1 145 1 . . . . . . . 4.56 1 1 146 1 . . . . . . . 3.09 1 1 147 1 . . . . . . . 2.65 1 1 148 1 . . . . . . . 3.09 1 1 149 1 . . . . . . . 2.54 1 1 150 1 . . . . . . . 2.89 1 1 151 1 . . . . . . . 4.06 1 1 152 1 . . . . . . . 3.08 1 1 153 1 . . . . . . . 2.63 1 1 154 1 . . . . . . . 4.18 1 1 155 1 . . . . . . . 3.38 1 1 156 1 . . . . . . . 2.85 1 1 157 1 . . . . . . . 3.38 1 1 158 1 . . . . . . . 2.42 1 1 159 1 . . . . . . . 4.37 1 1 160 1 . . . . . . . 3.19 1 1 161 1 . . . . . . . 5.43 1 1 162 1 . . . . . . . 5.58 1 1 163 1 . . . . . . . 5.67 1 1 164 1 . . . . . . . 5.12 1 1 165 1 . . . . . . . 4.38 1 1 166 1 . . . . . . . 5.12 1 1 167 1 . . . . . . . 6.37 1 1 168 1 . . . . . . . 7.26 1 1 169 1 . . . . . . . 6.13 1 1 170 1 . . . . . . . 7.39 1 1 171 1 . . . . . . . 8.52 1 1 172 1 . . . . . . . 8.3 1 1 173 1 . . . . . . . 3.28 1 1 174 1 . . . . . . . 2.69 1 1 175 1 . . . . . . . 3.28 1 1 176 1 . . . . . . . 5.02 1 1 177 1 . . . . . . . 3.15 1 1 178 1 . . . . . . . 5.5 1 1 179 1 . . . . . . . 3.45 1 1 180 1 . . . . . . . 2.21 1 1 181 1 . . . . . . . 3.26 1 1 182 1 . . . . . . . 2.99 1 1 183 1 . . . . . . . 2.61 1 1 184 1 . . . . . . . 2.99 1 1 185 1 . . . . . . . 4.11 1 1 186 1 . . . . . . . 3.69 1 1 187 1 . . . . . . . 3.53 1 1 188 1 . . . . . . . 3.25 1 1 189 1 . . . . . . . 3.29 1 1 190 1 . . . . . . . 3.12 1 1 191 1 . . . . . . . 3.12 1 1 192 1 . . . . . . . 4.25 1 1 193 1 . . . . . . . 5.5 1 1 194 1 . . . . . . . 4.16 1 1 195 1 . . . . . . . 3.65 1 1 196 1 . . . . . . . 4.16 1 1 197 1 . . . . . . . 3.92 1 1 198 1 . . . . . . . 2.52 1 1 199 1 . . . . . . . 5.5 1 1 200 1 . . . . . . . 3.27 1 1 201 1 . . . . . . . 4.23 1 1 202 1 . . . . . . . 3.52 1 1 203 1 . . . . . . . 4.65 1 1 204 1 . . . . . . . 5.5 1 1 205 1 . . . . . . . 3.52 1 1 206 1 . . . . . . . 4.24 1 1 207 1 . . . . . . . 2.66 1 1 208 1 . . . . . . . 3.7 1 1 209 1 . . . . . . . 4.55 1 1 210 1 . . . . . . . 3.68 1 1 211 1 . . . . . . . 4.61 1 1 212 1 . . . . . . . 3.07 1 1 213 1 . . . . . . . 3.63 1 1 214 1 . . . . . . . 4.5 1 1 215 1 . . . . . . . 3.06 1 1 216 1 . . . . . . . 2.62 1 1 217 1 . . . . . . . 3.06 1 1 218 1 . . . . . . . 5.5 1 1 219 1 . . . . . . . 2.63 1 1 220 1 . . . . . . . 2.9 1 1 221 1 . . . . . . . 2.91 1 1 222 1 . . . . . . . 3.01 1 1 223 1 . . . . . . . 3.03 1 1 224 1 . . . . . . . 3.46 1 1 225 1 . . . . . . . 2.69 1 1 226 1 . . . . . . . 4.76 1 1 227 1 . . . . . . . 3.87 1 1 228 1 . . . . . . . 3.48 1 1 229 1 . . . . . . . 2.77 1 1 230 1 . . . . . . . 3.48 1 1 231 1 . . . . . . . 4.69 1 1 232 1 . . . . . . . 3.87 1 1 233 1 . . . . . . . 4.69 1 1 234 1 . . . . . . . 2.87 1 1 235 1 . . . . . . . 4.39 1 1 236 1 . . . . . . . 4.11 1 1 237 1 . . . . . . . 2.76 1 1 238 1 . . . . . . . 3.17 1 1 239 1 . . . . . . . 2.32 1 1 240 1 . . . . . . . 3.01 1 1 241 1 . . . . . . . 4.09 1 1 242 1 . . . . . . . 4.09 1 1 243 1 . . . . . . . 3.83 1 1 244 1 . . . . . . . 4.09 1 1 245 1 . . . . . . . 4.09 1 1 246 1 . . . . . . . 3.83 1 1 247 1 . . . . . . . 2.34 1 1 248 1 . . . . . . . 3.59 1 1 249 1 . . . . . . . 2.94 1 1 250 1 . . . . . . . 3.59 1 1 251 1 . . . . . . . 3.62 1 1 252 1 . . . . . . . 3.89 1 1 253 1 . . . . . . . 3.2 1 1 254 1 . . . . . . . 3.89 1 1 255 1 . . . . . . . 2.82 1 1 256 1 . . . . . . . 2.9 1 1 257 1 . . . . . . . 2.44 1 1 258 1 . . . . . . . 2.9 1 1 259 1 . . . . . . . 3.29 1 1 260 1 . . . . . . . 4.19 1 1 261 1 . . . . . . . 4.61 1 1 262 1 . . . . . . . 2.4 1 1 263 1 . . . . . . . 3.94 1 1 264 1 . . . . . . . 2.92 1 1 265 1 . . . . . . . 3.04 1 1 266 1 . . . . . . . 2.48 1 1 267 1 . . . . . . . 3.04 1 1 268 1 . . . . . . . 4.93 1 1 269 1 . . . . . . . 2.45 1 1 270 1 . . . . . . . 3.75 1 1 271 1 . . . . . . . 3.9 1 1 272 1 . . . . . . . 3.68 1 1 273 1 . . . . . . . 2.72 1 1 274 1 . . . . . . . 3.82 1 1 275 1 . . . . . . . 3.56 1 1 276 1 . . . . . . . 3.38 1 1 277 1 . . . . . . . 5.13 1 1 278 1 . . . . . . . 2.18 1 1 279 1 . . . . . . . 4.04 1 1 280 1 . . . . . . . 2.9 1 1 281 1 . . . . . . . 3.99 1 1 282 1 . . . . . . . 4.81 1 1 283 1 . . . . . . . 4.81 1 1 284 1 . . . . . . . 3.32 1 1 285 1 . . . . . . . 2.81 1 1 286 1 . . . . . . . 3.32 1 1 287 1 . . . . . . . 3.21 1 1 288 1 . . . . . . . 2.85 1 1 289 1 . . . . . . . 2.85 1 1 290 1 . . . . . . . 3.04 1 1 291 1 . . . . . . . 4.09 1 1 292 1 . . . . . . . 3.64 1 1 stop_ save_ save_DYANA/DIANA_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 PHI 1 1 2 LYS C 1 1 3 PHE N 1 1 3 PHE CA 1 1 3 PHE C 44.999996 285.0 . 2 PHE . . 2 PHE . . 2 PHE . . 2 PHE . 1 1 2 PHI 1 1 2 LYS C 1 1 3 PHE N 1 1 3 PHE CA 1 1 3 PHE C -185.0 75.0 . 2 PHE . . 2 PHE . . 2 PHE . . 2 PHE . 1 1 3 CHI1 1 1 3 PHE N 1 1 3 PHE CA 1 1 3 PHE CB 1 1 3 PHE CG -325.0 -25.0 . 2 PHE . . 2 PHE . . 2 PHE . . 2 PHE . 1 1 4 CHI1 1 1 3 PHE N 1 1 3 PHE CA 1 1 3 PHE CB 1 1 3 PHE CG -205.0 75.0 . 2 PHE . . 2 PHE . . 2 PHE . . 2 PHE . 1 1 5 PSI 1 1 3 PHE N 1 1 3 PHE CA 1 1 3 PHE C 1 1 4 GLU N 25.0 115.00001 . 2 PHE . . 2 PHE . . 2 PHE . . 2 PHE . 1 1 6 PHI 1 1 3 PHE C 1 1 4 GLU N 1 1 4 GLU CA 1 1 4 GLU C 44.999996 235.00002 . 3 GLU . . 3 GLU . . 3 GLU . . 3 GLU . 1 1 7 PHI 1 1 3 PHE C 1 1 4 GLU N 1 1 4 GLU CA 1 1 4 GLU C -185.0 75.0 . 3 GLU . . 3 GLU . . 3 GLU . . 3 GLU . 1 1 8 CHI1 1 1 4 GLU N 1 1 4 GLU CA 1 1 4 GLU CB 1 1 4 GLU CG -335.0 -25.0 . 3 GLU . . 3 GLU . . 3 GLU . . 3 GLU . 1 1 9 CHI1 1 1 4 GLU N 1 1 4 GLU CA 1 1 4 GLU CB 1 1 4 GLU CG -185.0 65.0 . 3 GLU . . 3 GLU . . 3 GLU . . 3 GLU . 1 1 10 CHI1 1 1 4 GLU N 1 1 4 GLU CA 1 1 4 GLU CB 1 1 4 GLU CG -115.00001 235.00002 . 3 GLU . . 3 GLU . . 3 GLU . . 3 GLU . 1 1 11 PSI 1 1 4 GLU N 1 1 4 GLU CA 1 1 4 GLU C 1 1 5 ASP N 44.999996 75.0 . 3 GLU . . 3 GLU . . 3 GLU . . 3 GLU . 1 1 12 PHI 1 1 4 GLU C 1 1 5 ASP N 1 1 5 ASP CA 1 1 5 ASP C -165.0 -44.999996 . 4 ASP . . 4 ASP . . 4 ASP . . 4 ASP . 1 1 13 CHI1 1 1 5 ASP N 1 1 5 ASP CA 1 1 5 ASP CB 1 1 5 ASP CG -325.0 -15.0 . 4 ASP . . 4 ASP . . 4 ASP . . 4 ASP . 1 1 14 CHI1 1 1 5 ASP N 1 1 5 ASP CA 1 1 5 ASP CB 1 1 5 ASP CG -75.0 44.999996 . 4 ASP . . 4 ASP . . 4 ASP . . 4 ASP . 1 1 15 PSI 1 1 5 ASP N 1 1 5 ASP CA 1 1 5 ASP C 1 1 6 TRP N 145.0 195.0 . 4 ASP . . 4 ASP . . 4 ASP . . 4 ASP . 1 1 16 PHI 1 1 5 ASP C 1 1 6 TRP N 1 1 6 TRP CA 1 1 6 TRP C -185.0 -44.999996 . 5 TRP . . 5 TRP . . 5 TRP . . 5 TRP . 1 1 17 CHI1 1 1 6 TRP N 1 1 6 TRP CA 1 1 6 TRP CB 1 1 6 TRP CG 25.0 85.0 . 5 TRP . . 5 TRP . . 5 TRP . . 5 TRP . 1 1 18 PSI 1 1 6 TRP N 1 1 6 TRP CA 1 1 6 TRP C 1 1 7 LEU N 135.0 185.0 . 5 TRP . . 5 TRP . . 5 TRP . . 5 TRP . 1 1 19 PHI 1 1 6 TRP C 1 1 7 LEU N 1 1 7 LEU CA 1 1 7 LEU C 44.999996 315.0 . 6 LEU . . 6 LEU . . 6 LEU . . 6 LEU . 1 1 20 PHI 1 1 6 TRP C 1 1 7 LEU N 1 1 7 LEU CA 1 1 7 LEU C -185.0 75.0 . 6 LEU . . 6 LEU . . 6 LEU . . 6 LEU . 1 1 21 CHI1 1 1 7 LEU N 1 1 7 LEU CA 1 1 7 LEU CB 1 1 7 LEU CG -225.0 105.0 . 6 LEU . . 6 LEU . . 6 LEU . . 6 LEU . 1 1 22 PSI 1 1 7 LEU N 1 1 7 LEU CA 1 1 7 LEU C 1 1 8 CYS N -85.0 205.0 . 6 LEU . . 6 LEU . . 6 LEU . . 6 LEU . 1 1 23 PHI 1 1 7 LEU C 1 1 8 CYS N 1 1 8 CYS CA 1 1 8 CYS C -145.0 -44.999996 . 7 CYS . . 7 CYS . . 7 CYS . . 7 CYS . 1 1 24 CHI1 1 1 8 CYS N 1 1 8 CYS CA 1 1 8 CYS CB 1 1 8 CYS SG -205.0 -125.0 . 7 CYS . . 7 CYS . . 7 CYS . . 7 CYS . 1 1 25 PSI 1 1 8 CYS N 1 1 8 CYS CA 1 1 8 CYS C 1 1 9 ASN N 35.0 195.0 . 7 CYS . . 7 CYS . . 7 CYS . . 7 CYS . 1 1 26 PHI 1 1 8 CYS C 1 1 9 ASN N 1 1 9 ASN CA 1 1 9 ASN C 44.999996 315.0 . 8 ASN . . 8 ASN . . 8 ASN . . 8 ASN . 1 1 27 PHI 1 1 8 CYS C 1 1 9 ASN N 1 1 9 ASN CA 1 1 9 ASN C -185.0 65.0 . 8 ASN . . 8 ASN . . 8 ASN . . 8 ASN . 1 1 28 CHI1 1 1 9 ASN N 1 1 9 ASN CA 1 1 9 ASN CB 1 1 9 ASN CG 15.0 275.0 . 8 ASN . . 8 ASN . . 8 ASN . . 8 ASN . 1 1 29 CHI1 1 1 9 ASN N 1 1 9 ASN CA 1 1 9 ASN CB 1 1 9 ASN CG -225.0 105.0 . 8 ASN . . 8 ASN . . 8 ASN . . 8 ASN . 1 1 30 PSI 1 1 9 ASN N 1 1 9 ASN CA 1 1 9 ASN C 1 1 10 LYS N -85.0 95.0 . 8 ASN . . 8 ASN . . 8 ASN . . 8 ASN . 1 1 31 PHI 1 1 9 ASN C 1 1 10 LYS N 1 1 10 LYS CA 1 1 10 LYS C 44.999996 315.0 . 9 LYS . . 9 LYS . . 9 LYS . . 9 LYS . 1 1 32 PHI 1 1 9 ASN C 1 1 10 LYS N 1 1 10 LYS CA 1 1 10 LYS C -185.0 75.0 . 9 LYS . . 9 LYS . . 9 LYS . . 9 LYS . 1 1 33 CHI1 1 1 10 LYS N 1 1 10 LYS CA 1 1 10 LYS CB 1 1 10 LYS CG -335.0 -25.0 . 9 LYS . . 9 LYS . . 9 LYS . . 9 LYS . 1 1 34 CHI1 1 1 10 LYS N 1 1 10 LYS CA 1 1 10 LYS CB 1 1 10 LYS CG -205.0 95.0 . 9 LYS . . 9 LYS . . 9 LYS . . 9 LYS . 1 1 35 PSI 1 1 10 LYS N 1 1 10 LYS CA 1 1 10 LYS C 1 1 11 CYS N -85.0 95.0 . 9 LYS . . 9 LYS . . 9 LYS . . 9 LYS . 1 1 36 PHI 1 1 10 LYS C 1 1 11 CYS N 1 1 11 CYS CA 1 1 11 CYS C 44.999996 315.0 . 10 CYS . . 10 CYS . . 10 CYS . . 10 CYS . 1 1 37 PHI 1 1 10 LYS C 1 1 11 CYS N 1 1 11 CYS CA 1 1 11 CYS C -185.0 75.0 . 10 CYS . . 10 CYS . . 10 CYS . . 10 CYS . 1 1 38 CHI1 1 1 11 CYS N 1 1 11 CYS CA 1 1 11 CYS CB 1 1 11 CYS SG -335.0 -25.0 . 10 CYS . . 10 CYS . . 10 CYS . . 10 CYS . 1 1 39 CHI1 1 1 11 CYS N 1 1 11 CYS CA 1 1 11 CYS CB 1 1 11 CYS SG -205.0 85.0 . 10 CYS . . 10 CYS . . 10 CYS . . 10 CYS . 1 1 40 PSI 1 1 11 CYS N 1 1 11 CYS CA 1 1 11 CYS C 1 1 12 CYS N -85.0 85.0 . 10 CYS . . 10 CYS . . 10 CYS . . 10 CYS . 1 1 41 PHI 1 1 11 CYS C 1 1 12 CYS N 1 1 12 CYS CA 1 1 12 CYS C 44.999996 315.0 . 11 CYS . . 11 CYS . . 11 CYS . . 11 CYS . 1 1 42 PHI 1 1 11 CYS C 1 1 12 CYS N 1 1 12 CYS CA 1 1 12 CYS C -185.0 75.0 . 11 CYS . . 11 CYS . . 11 CYS . . 11 CYS . 1 1 43 CHI1 1 1 12 CYS N 1 1 12 CYS CA 1 1 12 CYS CB 1 1 12 CYS SG 25.0 325.0 . 11 CYS . . 11 CYS . . 11 CYS . . 11 CYS . 1 1 44 CHI1 1 1 12 CYS N 1 1 12 CYS CA 1 1 12 CYS CB 1 1 12 CYS SG -205.0 85.0 . 11 CYS . . 11 CYS . . 11 CYS . . 11 CYS . 1 1 45 PSI 1 1 12 CYS N 1 1 12 CYS CA 1 1 12 CYS C 1 1 13 LEU N -85.0 195.0 . 11 CYS . . 11 CYS . . 11 CYS . . 11 CYS . 1 1 46 PHI 1 1 12 CYS C 1 1 13 LEU N 1 1 13 LEU CA 1 1 13 LEU C 44.999996 315.0 . 12 LEU . . 12 LEU . . 12 LEU . . 12 LEU . 1 1 47 PHI 1 1 12 CYS C 1 1 13 LEU N 1 1 13 LEU CA 1 1 13 LEU C -185.0 75.0 . 12 LEU . . 12 LEU . . 12 LEU . . 12 LEU . 1 1 48 CHI1 1 1 13 LEU N 1 1 13 LEU CA 1 1 13 LEU CB 1 1 13 LEU CG -225.0 105.0 . 12 LEU . . 12 LEU . . 12 LEU . . 12 LEU . 1 1 49 PSI 1 1 13 LEU N 1 1 13 LEU CA 1 1 13 LEU C 1 1 14 ASN N 44.999996 195.0 . 12 LEU . . 12 LEU . . 12 LEU . . 12 LEU . 1 1 50 PHI 1 1 13 LEU C 1 1 14 ASN N 1 1 14 ASN CA 1 1 14 ASN C -155.0 -44.999996 . 13 ASN . . 13 ASN . . 13 ASN . . 13 ASN . 1 1 51 CHI1 1 1 14 ASN N 1 1 14 ASN CA 1 1 14 ASN CB 1 1 14 ASN CG -225.0 -115.00001 . 13 ASN . . 13 ASN . . 13 ASN . . 13 ASN . 1 1 52 PSI 1 1 14 ASN N 1 1 14 ASN CA 1 1 14 ASN C 1 1 15 ASN N 44.999996 195.0 . 13 ASN . . 13 ASN . . 13 ASN . . 13 ASN . 1 1 53 PSI 1 1 14 ASN N 1 1 14 ASN CA 1 1 14 ASN C 1 1 15 ASN N -285.0 65.0 . 13 ASN . . 13 ASN . . 13 ASN . . 13 ASN . 1 1 54 PHI 1 1 14 ASN C 1 1 15 ASN N 1 1 15 ASN CA 1 1 15 ASN C 44.999996 315.0 . 14 ASN . . 14 ASN . . 14 ASN . . 14 ASN . 1 1 55 PHI 1 1 14 ASN C 1 1 15 ASN N 1 1 15 ASN CA 1 1 15 ASN C -185.0 75.0 . 14 ASN . . 14 ASN . . 14 ASN . . 14 ASN . 1 1 56 CHI1 1 1 15 ASN N 1 1 15 ASN CA 1 1 15 ASN CB 1 1 15 ASN CG -335.0 5.0 . 14 ASN . . 14 ASN . . 14 ASN . . 14 ASN . 1 1 57 CHI1 1 1 15 ASN N 1 1 15 ASN CA 1 1 15 ASN CB 1 1 15 ASN CG -225.0 115.00001 . 14 ASN . . 14 ASN . . 14 ASN . . 14 ASN . 1 1 58 PSI 1 1 15 ASN N 1 1 15 ASN CA 1 1 15 ASN C 1 1 16 PHE N 35.0 195.0 . 14 ASN . . 14 ASN . . 14 ASN . . 14 ASN . 1 1 59 PHI 1 1 15 ASN C 1 1 16 PHE N 1 1 16 PHE CA 1 1 16 PHE C 44.999996 315.0 . 15 PHE . . 15 PHE . . 15 PHE . . 15 PHE . 1 1 60 PHI 1 1 15 ASN C 1 1 16 PHE N 1 1 16 PHE CA 1 1 16 PHE C -185.0 65.0 . 15 PHE . . 15 PHE . . 15 PHE . . 15 PHE . 1 1 61 CHI1 1 1 16 PHE N 1 1 16 PHE CA 1 1 16 PHE CB 1 1 16 PHE CG -315.0 -35.0 . 15 PHE . . 15 PHE . . 15 PHE . . 15 PHE . 1 1 62 CHI1 1 1 16 PHE N 1 1 16 PHE CA 1 1 16 PHE CB 1 1 16 PHE CG -205.0 85.0 . 15 PHE . . 15 PHE . . 15 PHE . . 15 PHE . 1 1 63 PSI 1 1 16 PHE N 1 1 16 PHE CA 1 1 16 PHE C 1 1 17 ARG N 55.0 185.0 . 15 PHE . . 15 PHE . . 15 PHE . . 15 PHE . 1 1 64 PHI 1 1 16 PHE C 1 1 17 ARG N 1 1 17 ARG CA 1 1 17 ARG C -165.0 -44.999996 . 16 ARG . . 16 ARG . . 16 ARG . . 16 ARG . 1 1 65 CHI1 1 1 17 ARG N 1 1 17 ARG CA 1 1 17 ARG CB 1 1 17 ARG CG -205.0 -85.0 . 16 ARG . . 16 ARG . . 16 ARG . . 16 ARG . 1 1 66 PSI 1 1 17 ARG N 1 1 17 ARG CA 1 1 17 ARG C 1 1 18 LYS N -85.0 195.0 . 16 ARG . . 16 ARG . . 16 ARG . . 16 ARG . 1 1 67 PHI 1 1 17 ARG C 1 1 18 LYS N 1 1 18 LYS CA 1 1 18 LYS C -185.0 -44.999996 . 17 LYS . . 17 LYS . . 17 LYS . . 17 LYS . 1 1 68 CHI1 1 1 18 LYS N 1 1 18 LYS CA 1 1 18 LYS CB 1 1 18 LYS CG -335.0 -25.0 . 17 LYS . . 17 LYS . . 17 LYS . . 17 LYS . 1 1 69 CHI1 1 1 18 LYS N 1 1 18 LYS CA 1 1 18 LYS CB 1 1 18 LYS CG -205.0 55.0 . 17 LYS . . 17 LYS . . 17 LYS . . 17 LYS . 1 1 70 PSI 1 1 18 LYS N 1 1 18 LYS CA 1 1 18 LYS C 1 1 19 ARG N -85.0 -5.0 . 17 LYS . . 17 LYS . . 17 LYS . . 17 LYS . 1 1 71 PHI 1 1 18 LYS C 1 1 19 ARG N 1 1 19 ARG CA 1 1 19 ARG C -165.0 -44.999996 . 18 ARG . . 18 ARG . . 18 ARG . . 18 ARG . 1 1 72 CHI1 1 1 19 ARG N 1 1 19 ARG CA 1 1 19 ARG CB 1 1 19 ARG CG -205.0 -105.0 . 18 ARG . . 18 ARG . . 18 ARG . . 18 ARG . 1 1 73 PSI 1 1 19 ARG N 1 1 19 ARG CA 1 1 19 ARG C 1 1 20 LEU N 44.999996 195.0 . 18 ARG . . 18 ARG . . 18 ARG . . 18 ARG . 1 1 74 PHI 1 1 19 ARG C 1 1 20 LEU N 1 1 20 LEU CA 1 1 20 LEU C 44.999996 315.0 . 19 LEU . . 19 LEU . . 19 LEU . . 19 LEU . 1 1 75 PHI 1 1 19 ARG C 1 1 20 LEU N 1 1 20 LEU CA 1 1 20 LEU C -185.0 75.0 . 19 LEU . . 19 LEU . . 19 LEU . . 19 LEU . 1 1 76 CHI1 1 1 20 LEU N 1 1 20 LEU CA 1 1 20 LEU CB 1 1 20 LEU CG -225.0 105.0 . 19 LEU . . 19 LEU . . 19 LEU . . 19 LEU . 1 1 77 PSI 1 1 20 LEU N 1 1 20 LEU CA 1 1 20 LEU C 1 1 21 LYS N -85.0 75.0 . 19 LEU . . 19 LEU . . 19 LEU . . 19 LEU . 1 1 78 PHI 1 1 20 LEU C 1 1 21 LYS N 1 1 21 LYS CA 1 1 21 LYS C 44.999996 315.0 . 20 LYS . . 20 LYS . . 20 LYS . . 20 LYS . 1 1 79 PHI 1 1 20 LEU C 1 1 21 LYS N 1 1 21 LYS CA 1 1 21 LYS C -185.0 75.0 . 20 LYS . . 20 LYS . . 20 LYS . . 20 LYS . 1 1 80 CHI1 1 1 21 LYS N 1 1 21 LYS CA 1 1 21 LYS CB 1 1 21 LYS CG -335.0 -25.0 . 20 LYS . . 20 LYS . . 20 LYS . . 20 LYS . 1 1 81 CHI1 1 1 21 LYS N 1 1 21 LYS CA 1 1 21 LYS CB 1 1 21 LYS CG -205.0 95.0 . 20 LYS . . 20 LYS . . 20 LYS . . 20 LYS . 1 1 82 PSI 1 1 21 LYS N 1 1 21 LYS CA 1 1 21 LYS C 1 1 22 CYS N -85.0 195.0 . 20 LYS . . 20 LYS . . 20 LYS . . 20 LYS . 1 1 83 PHI 1 1 21 LYS C 1 1 22 CYS N 1 1 22 CYS CA 1 1 22 CYS C -145.0 -44.999996 . 21 CYS . . 21 CYS . . 21 CYS . . 21 CYS . 1 1 84 CHI1 1 1 22 CYS N 1 1 22 CYS CA 1 1 22 CYS CB 1 1 22 CYS SG -205.0 -115.00001 . 21 CYS . . 21 CYS . . 21 CYS . . 21 CYS . 1 1 85 PSI 1 1 22 CYS N 1 1 22 CYS CA 1 1 22 CYS C 1 1 23 PHE N 35.0 195.0 . 21 CYS . . 21 CYS . . 21 CYS . . 21 CYS . 1 1 86 PHI 1 1 22 CYS C 1 1 23 PHE N 1 1 23 PHE CA 1 1 23 PHE C -155.0 -44.999996 . 22 PHE . . 22 PHE . . 22 PHE . . 22 PHE . 1 1 87 CHI1 1 1 23 PHE N 1 1 23 PHE CA 1 1 23 PHE CB 1 1 23 PHE CG -205.0 -125.0 . 22 PHE . . 22 PHE . . 22 PHE . . 22 PHE . 1 1 88 PSI 1 1 23 PHE N 1 1 23 PHE CA 1 1 23 PHE C 1 1 24 ARG N -85.0 35.0 . 22 PHE . . 22 PHE . . 22 PHE . . 22 PHE . 1 1 89 PHI 1 1 23 PHE C 1 1 24 ARG N 1 1 24 ARG CA 1 1 24 ARG C -174.99998 -44.999996 . 23 ARG . . 23 ARG . . 23 ARG . . 23 ARG . 1 1 90 CHI1 1 1 24 ARG N 1 1 24 ARG CA 1 1 24 ARG CB 1 1 24 ARG CG -205.0 -25.0 . 23 ARG . . 23 ARG . . 23 ARG . . 23 ARG . 1 1 91 PSI 1 1 24 ARG N 1 1 24 ARG CA 1 1 24 ARG C 1 1 25 CYS N -85.0 -15.0 . 23 ARG . . 23 ARG . . 23 ARG . . 23 ARG . 1 1 92 PHI 1 1 24 ARG C 1 1 25 CYS N 1 1 25 CYS CA 1 1 25 CYS C 44.999996 315.0 . 24 CYS . . 24 CYS . . 24 CYS . . 24 CYS . 1 1 93 PHI 1 1 24 ARG C 1 1 25 CYS N 1 1 25 CYS CA 1 1 25 CYS C -185.0 75.0 . 24 CYS . . 24 CYS . . 24 CYS . . 24 CYS . 1 1 94 CHI1 1 1 25 CYS N 1 1 25 CYS CA 1 1 25 CYS CB 1 1 25 CYS SG -335.0 -25.0 . 24 CYS . . 24 CYS . . 24 CYS . . 24 CYS . 1 1 95 CHI1 1 1 25 CYS N 1 1 25 CYS CA 1 1 25 CYS CB 1 1 25 CYS SG -205.0 85.0 . 24 CYS . . 24 CYS . . 24 CYS . . 24 CYS . 1 1 96 PSI 1 1 25 CYS N 1 1 25 CYS CA 1 1 25 CYS C 1 1 26 GLY N -85.0 75.0 . 24 CYS . . 24 CYS . . 24 CYS . . 24 CYS . 1 1 97 PHI 1 1 25 CYS C 1 1 26 GLY N 1 1 26 GLY CA 1 1 26 GLY C 44.999996 315.0 . 25 GLY . . 25 GLY . . 25 GLY . . 25 GLY . 1 1 98 PSI 1 1 26 GLY N 1 1 26 GLY CA 1 1 26 GLY C 1 1 27 ALA N -115.00001 115.00001 . 25 GLY . . 25 GLY . . 25 GLY . . 25 GLY . 1 1 99 PHI 1 1 26 GLY C 1 1 27 ALA N 1 1 27 ALA CA 1 1 27 ALA C 44.999996 315.0 . 26 ALA . . 26 ALA . . 26 ALA . . 26 ALA . 1 1 100 PHI 1 1 26 GLY C 1 1 27 ALA N 1 1 27 ALA CA 1 1 27 ALA C -185.0 75.0 . 26 ALA . . 26 ALA . . 26 ALA . . 26 ALA . 1 1 101 PSI 1 1 27 ALA N 1 1 27 ALA CA 1 1 27 ALA C 1 1 28 ASP N 55.0 185.0 . 26 ALA . . 26 ALA . . 26 ALA . . 26 ALA . 1 1 102 PHI 1 1 27 ALA C 1 1 28 ASP N 1 1 28 ASP CA 1 1 28 ASP C -135.0 -44.999996 . 27 ASP . . 27 ASP . . 27 ASP . . 27 ASP . 1 1 103 CHI1 1 1 28 ASP N 1 1 28 ASP CA 1 1 28 ASP CB 1 1 28 ASP CG -225.0 -115.00001 . 27 ASP . . 27 ASP . . 27 ASP . . 27 ASP . 1 1 104 PSI 1 1 28 ASP N 1 1 28 ASP CA 1 1 28 ASP C 1 1 29 LYS N 95.0 185.0 . 27 ASP . . 27 ASP . . 27 ASP . . 27 ASP . 1 1 105 PHI 1 1 28 ASP C 1 1 29 LYS N 1 1 29 LYS CA 1 1 29 LYS C 44.999996 315.0 . 28 LYS . . 28 LYS . . 28 LYS . . 28 LYS . 1 1 106 PHI 1 1 28 ASP C 1 1 29 LYS N 1 1 29 LYS CA 1 1 29 LYS C -185.0 75.0 . 28 LYS . . 28 LYS . . 28 LYS . . 28 LYS . 1 1 107 CHI1 1 1 29 LYS N 1 1 29 LYS CA 1 1 29 LYS CB 1 1 29 LYS CG -335.0 -25.0 . 28 LYS . . 28 LYS . . 28 LYS . . 28 LYS . 1 1 108 CHI1 1 1 29 LYS N 1 1 29 LYS CA 1 1 29 LYS CB 1 1 29 LYS CG -205.0 95.0 . 28 LYS . . 28 LYS . . 28 LYS . . 28 LYS . 1 1 109 PSI 1 1 29 LYS N 1 1 29 LYS CA 1 1 29 LYS C 1 1 30 PHE N -85.0 135.0 . 28 LYS . . 28 LYS . . 28 LYS . . 28 LYS . 1 1 110 PHI 1 1 29 LYS C 1 1 30 PHE N 1 1 30 PHE CA 1 1 30 PHE C -174.99998 -85.0 . 29 PHE . . 29 PHE . . 29 PHE . . 29 PHE . 1 1 111 CHI1 1 1 30 PHE N 1 1 30 PHE CA 1 1 30 PHE CB 1 1 30 PHE CG -165.0 -95.0 . 29 PHE . . 29 PHE . . 29 PHE . . 29 PHE . 1 1 112 PSI 1 1 30 PHE N 1 1 30 PHE CA 1 1 30 PHE C 1 1 31 ASP N 5.0 55.0 . 29 PHE . . 29 PHE . . 29 PHE . . 29 PHE . 1 1 113 PHI 1 1 30 PHE C 1 1 31 ASP N 1 1 31 ASP CA 1 1 31 ASP C 44.999996 315.0 . 30 ASP . . 30 ASP . . 30 ASP . . 30 ASP . 1 1 114 PHI 1 1 30 PHE C 1 1 31 ASP N 1 1 31 ASP CA 1 1 31 ASP C -185.0 75.0 . 30 ASP . . 30 ASP . . 30 ASP . . 30 ASP . 1 1 115 CHI1 1 1 31 ASP N 1 1 31 ASP CA 1 1 31 ASP CB 1 1 31 ASP CG -225.0 115.00001 . 30 ASP . . 30 ASP . . 30 ASP . . 30 ASP . 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 ACE C C -0.017 -0.045 0.007 1.00 . A A . 0 ACE C 1 1 1 2 1 1 1 ACE CH3 C -0.706 -0.032 1.344 1.00 . A A . 0 ACE CH3 1 1 1 3 1 1 1 ACE H1 H -0.411 0.872 1.898 1.00 . A A . 0 ACE H1 1 1 1 4 1 1 1 ACE H2 H -0.420 -0.922 1.922 1.00 . A A . 0 ACE H2 1 1 1 5 1 1 1 ACE H3 H -1.798 -0.025 1.210 1.00 . A A . 0 ACE H3 1 1 1 6 1 1 1 ACE O O -0.695 -0.040 -1.008 1.00 . A A . 0 ACE O 1 1 1 7 1 1 2 LYS C C 2.607 -1.369 -1.573 1.00 . A A . 1 LYS C 1 1 1 8 1 1 2 LYS CA C 2.070 0.011 -1.253 1.00 . A A . 1 LYS CA 1 1 1 9 1 1 2 LYS CB C 3.201 1.065 -1.106 1.00 . A A . 1 LYS CB 1 1 1 10 1 1 2 LYS CD C 4.808 2.553 -2.466 1.00 . A A . 1 LYS CD 1 1 1 11 1 1 2 LYS CE C 6.028 1.617 -2.690 1.00 . A A . 1 LYS CE 1 1 1 12 1 1 2 LYS CG C 3.464 1.782 -2.455 1.00 . A A . 1 LYS CG 1 1 1 13 1 1 2 LYS H H 1.854 -0.104 0.857 1.00 . A A . 1 LYS H 1 1 1 14 1 1 2 LYS HA H 1.412 0.359 -2.063 1.00 . A A . 1 LYS HA 1 1 1 15 1 1 2 LYS HB2 H 2.890 1.841 -0.389 1.00 . A A . 1 LYS HB2 1 1 1 16 1 1 2 LYS HB3 H 4.112 0.600 -0.707 1.00 . A A . 1 LYS HB3 1 1 1 17 1 1 2 LYS HD2 H 4.760 3.274 -3.299 1.00 . A A . 1 LYS HD2 1 1 1 18 1 1 2 LYS HD3 H 4.929 3.114 -1.527 1.00 . A A . 1 LYS HD3 1 1 1 19 1 1 2 LYS HE2 H 6.121 0.876 -1.882 1.00 . A A . 1 LYS HE2 1 1 1 20 1 1 2 LYS HE3 H 5.885 1.064 -3.622 1.00 . A A . 1 LYS HE3 1 1 1 21 1 1 2 LYS HG2 H 3.442 1.062 -3.284 1.00 . A A . 1 LYS HG2 1 1 1 22 1 1 2 LYS HG3 H 2.643 2.502 -2.615 1.00 . A A . 1 LYS HG3 1 1 1 23 1 1 2 LYS HZ1 H 7.980 1.823 -3.470 1.00 . A A . 1 LYS HZ1 1 1 1 24 1 1 2 LYS HZ2 H 7.776 2.473 -1.859 1.00 . A A . 1 LYS HZ2 1 1 1 25 1 1 2 LYS HZ3 H 7.160 3.337 -3.255 1.00 . A A . 1 LYS HZ3 1 1 1 26 1 1 2 LYS N N 1.334 -0.052 0.003 1.00 . A A . 1 LYS N 1 1 1 27 1 1 2 LYS NZ N 7.300 2.357 -2.822 1.00 . A A . 1 LYS NZ 1 1 1 28 1 1 2 LYS O O 3.664 -1.731 -1.081 1.00 . A A . 1 LYS O 1 1 1 29 1 1 3 PHE C C 3.341 -3.450 -3.907 1.00 . A A . 2 PHE C 1 1 1 30 1 1 3 PHE CA C 2.396 -3.505 -2.733 1.00 . A A . 2 PHE CA 1 1 1 31 1 1 3 PHE CB C 1.218 -4.454 -3.067 1.00 . A A . 2 PHE CB 1 1 1 32 1 1 3 PHE CD1 C 0.864 -5.702 -0.898 1.00 . A A . 2 PHE CD1 1 1 1 33 1 1 3 PHE CD2 C -0.801 -4.079 -1.558 1.00 . A A . 2 PHE CD2 1 1 1 34 1 1 3 PHE CE1 C 0.111 -6.021 0.233 1.00 . A A . 2 PHE CE1 1 1 1 35 1 1 3 PHE CE2 C -1.557 -4.401 -0.429 1.00 . A A . 2 PHE CE2 1 1 1 36 1 1 3 PHE CG C 0.402 -4.745 -1.806 1.00 . A A . 2 PHE CG 1 1 1 37 1 1 3 PHE CZ C -1.105 -5.375 0.464 1.00 . A A . 2 PHE CZ 1 1 1 38 1 1 3 PHE H H 1.064 -1.854 -2.840 1.00 . A A . 2 PHE H 1 1 1 39 1 1 3 PHE HA H 2.941 -3.950 -1.885 1.00 . A A . 2 PHE HA 1 1 1 40 1 1 3 PHE HB2 H 0.588 -4.015 -3.856 1.00 . A A . 2 PHE HB2 1 1 1 41 1 1 3 PHE HB3 H 1.599 -5.419 -3.434 1.00 . A A . 2 PHE HB3 1 1 1 42 1 1 3 PHE HD1 H 1.811 -6.205 -1.067 1.00 . A A . 2 PHE HD1 1 1 1 43 1 1 3 PHE HD2 H -1.155 -3.312 -2.238 1.00 . A A . 2 PHE HD2 1 1 1 44 1 1 3 PHE HE1 H 0.470 -6.771 0.929 1.00 . A A . 2 PHE HE1 1 1 1 45 1 1 3 PHE HE2 H -2.499 -3.895 -0.247 1.00 . A A . 2 PHE HE2 1 1 1 46 1 1 3 PHE HZ H -1.697 -5.630 1.336 1.00 . A A . 2 PHE HZ 1 1 1 47 1 1 3 PHE N N 1.905 -2.169 -2.401 1.00 . A A . 2 PHE N 1 1 1 48 1 1 3 PHE O O 3.084 -4.093 -4.910 1.00 . A A . 2 PHE O 1 1 1 49 1 1 4 GLU C C 4.838 -1.887 -6.060 1.00 . A A . 3 GLU C 1 1 1 50 1 1 4 GLU CA C 5.419 -2.665 -4.891 1.00 . A A . 3 GLU CA 1 1 1 51 1 1 4 GLU CB C 5.899 -4.102 -5.259 1.00 . A A . 3 GLU CB 1 1 1 52 1 1 4 GLU CD C 7.450 -4.865 -7.191 1.00 . A A . 3 GLU CD 1 1 1 53 1 1 4 GLU CG C 7.336 -4.179 -5.850 1.00 . A A . 3 GLU CG 1 1 1 54 1 1 4 GLU H H 4.653 -2.203 -2.949 1.00 . A A . 3 GLU H 1 1 1 55 1 1 4 GLU HA H 6.285 -2.115 -4.490 1.00 . A A . 3 GLU HA 1 1 1 56 1 1 4 GLU HB2 H 5.902 -4.690 -4.327 1.00 . A A . 3 GLU HB2 1 1 1 57 1 1 4 GLU HB3 H 5.193 -4.584 -5.948 1.00 . A A . 3 GLU HB3 1 1 1 58 1 1 4 GLU HG2 H 7.758 -3.182 -5.969 1.00 . A A . 3 GLU HG2 1 1 1 59 1 1 4 GLU HG3 H 7.993 -4.702 -5.138 1.00 . A A . 3 GLU HG3 1 1 1 60 1 1 4 GLU N N 4.459 -2.707 -3.792 1.00 . A A . 3 GLU N 1 1 1 61 1 1 4 GLU O O 4.680 -2.417 -7.147 1.00 . A A . 3 GLU O 1 1 1 62 1 1 4 GLU OE1 O 6.496 -4.815 -8.016 1.00 . A A . 3 GLU OE1 1 1 1 63 1 1 4 GLU OE2 O 8.534 -5.455 -7.444 1.00 . A A . 3 GLU OE2 1 1 1 64 1 1 5 ASP C C 4.349 1.688 -6.715 1.00 . A A . 4 ASP C 1 1 1 65 1 1 5 ASP CA C 3.972 0.238 -6.929 1.00 . A A . 4 ASP CA 1 1 1 66 1 1 5 ASP CB C 2.431 0.115 -6.902 1.00 . A A . 4 ASP CB 1 1 1 67 1 1 5 ASP CG C 1.979 -1.317 -6.943 1.00 . A A . 4 ASP CG 1 1 1 68 1 1 5 ASP H H 4.581 -0.194 -4.950 1.00 . A A . 4 ASP H 1 1 1 69 1 1 5 ASP HA H 4.377 -0.065 -7.904 1.00 . A A . 4 ASP HA 1 1 1 70 1 1 5 ASP HB2 H 2.062 0.568 -5.970 1.00 . A A . 4 ASP HB2 1 1 1 71 1 1 5 ASP HB3 H 1.973 0.646 -7.747 1.00 . A A . 4 ASP HB3 1 1 1 72 1 1 5 ASP N N 4.520 -0.590 -5.855 1.00 . A A . 4 ASP N 1 1 1 73 1 1 5 ASP O O 4.978 1.986 -5.712 1.00 . A A . 4 ASP O 1 1 1 74 1 1 5 ASP OD1 O 1.769 -1.851 -8.065 1.00 . A A . 4 ASP OD1 1 1 1 75 1 1 5 ASP OD2 O 1.813 -1.902 -5.839 1.00 . A A . 4 ASP OD2 1 1 1 76 1 1 6 TRP C C 3.184 4.857 -8.078 1.00 . A A . 5 TRP C 1 1 1 77 1 1 6 TRP CA C 4.262 4.026 -7.432 1.00 . A A . 5 TRP CA 1 1 1 78 1 1 6 TRP CB C 5.631 4.381 -8.050 1.00 . A A . 5 TRP CB 1 1 1 79 1 1 6 TRP CD1 C 6.194 2.790 -9.944 1.00 . A A . 5 TRP CD1 1 1 1 80 1 1 6 TRP CD2 C 5.232 4.703 -10.695 1.00 . A A . 5 TRP CD2 1 1 1 81 1 1 6 TRP CE2 C 5.575 3.874 -11.746 1.00 . A A . 5 TRP CE2 1 1 1 82 1 1 6 TRP CE3 C 4.610 5.933 -10.882 1.00 . A A . 5 TRP CE3 1 1 1 83 1 1 6 TRP CG C 5.696 3.944 -9.486 1.00 . A A . 5 TRP CG 1 1 1 84 1 1 6 TRP CH2 C 4.750 5.495 -13.268 1.00 . A A . 5 TRP CH2 1 1 1 85 1 1 6 TRP CZ2 C 5.368 4.260 -13.066 1.00 . A A . 5 TRP CZ2 1 1 1 86 1 1 6 TRP CZ3 C 4.308 6.276 -12.200 1.00 . A A . 5 TRP CZ3 1 1 1 87 1 1 6 TRP H H 3.524 2.339 -8.487 1.00 . A A . 5 TRP H 1 1 1 88 1 1 6 TRP HA H 4.266 4.277 -6.360 1.00 . A A . 5 TRP HA 1 1 1 89 1 1 6 TRP HB2 H 5.830 5.461 -7.990 1.00 . A A . 5 TRP HB2 1 1 1 90 1 1 6 TRP HB3 H 6.411 3.853 -7.480 1.00 . A A . 5 TRP HB3 1 1 1 91 1 1 6 TRP HD1 H 6.589 2.064 -9.251 1.00 . A A . 5 TRP HD1 1 1 1 92 1 1 6 TRP HE1 H 6.419 1.938 -11.821 1.00 . A A . 5 TRP HE1 1 1 1 93 1 1 6 TRP HE3 H 4.397 6.577 -10.048 1.00 . A A . 5 TRP HE3 1 1 1 94 1 1 6 TRP HH2 H 4.618 5.865 -14.267 1.00 . A A . 5 TRP HH2 1 1 1 95 1 1 6 TRP HZ2 H 5.660 3.671 -13.919 1.00 . A A . 5 TRP HZ2 1 1 1 96 1 1 6 TRP HZ3 H 3.736 7.156 -12.426 1.00 . A A . 5 TRP HZ3 1 1 1 97 1 1 6 TRP N N 3.980 2.607 -7.634 1.00 . A A . 5 TRP N 1 1 1 98 1 1 6 TRP NE1 N 6.111 2.738 -11.248 1.00 . A A . 5 TRP NE1 1 1 1 99 1 1 6 TRP O O 2.404 4.277 -8.817 1.00 . A A . 5 TRP O 1 1 1 100 1 1 7 LEU C C 2.675 8.144 -9.179 1.00 . A A . 6 LEU C 1 1 1 101 1 1 7 LEU CA C 2.094 7.045 -8.328 1.00 . A A . 6 LEU CA 1 1 1 102 1 1 7 LEU CB C 1.203 7.560 -7.172 1.00 . A A . 6 LEU CB 1 1 1 103 1 1 7 LEU CD1 C 1.407 10.142 -7.078 1.00 . A A . 6 LEU CD1 1 1 1 104 1 1 7 LEU CD2 C 1.380 8.749 -4.935 1.00 . A A . 6 LEU CD2 1 1 1 105 1 1 7 LEU CG C 1.803 8.790 -6.423 1.00 . A A . 6 LEU CG 1 1 1 106 1 1 7 LEU H H 3.816 6.612 -7.192 1.00 . A A . 6 LEU H 1 1 1 107 1 1 7 LEU HA H 1.452 6.449 -8.974 1.00 . A A . 6 LEU HA 1 1 1 108 1 1 7 LEU HB2 H 0.192 7.777 -7.552 1.00 . A A . 6 LEU HB2 1 1 1 109 1 1 7 LEU HB3 H 1.106 6.713 -6.478 1.00 . A A . 6 LEU HB3 1 1 1 110 1 1 7 LEU HD11 H 0.684 9.963 -7.874 1.00 . A A . 6 LEU HD11 1 1 1 111 1 1 7 LEU HD12 H 2.288 10.636 -7.515 1.00 . A A . 6 LEU HD12 1 1 1 112 1 1 7 LEU HD13 H 0.945 10.842 -6.366 1.00 . A A . 6 LEU HD13 1 1 1 113 1 1 7 LEU HD21 H 1.919 7.931 -4.433 1.00 . A A . 6 LEU HD21 1 1 1 114 1 1 7 LEU HD22 H 0.297 8.576 -4.850 1.00 . A A . 6 LEU HD22 1 1 1 115 1 1 7 LEU HD23 H 1.641 9.689 -4.425 1.00 . A A . 6 LEU HD23 1 1 1 116 1 1 7 LEU HG H 2.902 8.732 -6.407 1.00 . A A . 6 LEU HG 1 1 1 117 1 1 7 LEU N N 3.143 6.183 -7.793 1.00 . A A . 6 LEU N 1 1 1 118 1 1 7 LEU O O 3.671 8.731 -8.790 1.00 . A A . 6 LEU O 1 1 1 119 1 1 8 CYS C C 2.666 10.766 -10.629 1.00 . A A . 7 CYS C 1 1 1 120 1 1 8 CYS CA C 2.718 9.393 -11.240 1.00 . A A . 7 CYS CA 1 1 1 121 1 1 8 CYS CB C 1.973 9.400 -12.593 1.00 . A A . 7 CYS CB 1 1 1 122 1 1 8 CYS H H 1.288 7.923 -10.696 1.00 . A A . 7 CYS H 1 1 1 123 1 1 8 CYS HA H 3.776 9.130 -11.387 1.00 . A A . 7 CYS HA 1 1 1 124 1 1 8 CYS HB2 H 1.865 8.392 -13.017 1.00 . A A . 7 CYS HB2 1 1 1 125 1 1 8 CYS HB3 H 0.979 9.830 -12.449 1.00 . A A . 7 CYS HB3 1 1 1 126 1 1 8 CYS N N 2.102 8.410 -10.368 1.00 . A A . 7 CYS N 1 1 1 127 1 1 8 CYS O O 1.711 11.078 -9.940 1.00 . A A . 7 CYS O 1 1 1 128 1 1 8 CYS SG S 2.839 10.437 -13.789 1.00 . A A . 7 CYS SG 1 1 1 129 1 1 9 ASN C C 3.041 13.957 -11.267 1.00 . A A . 8 ASN C 1 1 1 130 1 1 9 ASN CA C 3.711 12.961 -10.347 1.00 . A A . 8 ASN CA 1 1 1 131 1 1 9 ASN CB C 5.181 13.346 -10.034 1.00 . A A . 8 ASN CB 1 1 1 132 1 1 9 ASN CG C 6.091 13.059 -11.201 1.00 . A A . 8 ASN CG 1 1 1 133 1 1 9 ASN H H 4.382 11.347 -11.566 1.00 . A A . 8 ASN H 1 1 1 134 1 1 9 ASN HA H 3.165 12.998 -9.391 1.00 . A A . 8 ASN HA 1 1 1 135 1 1 9 ASN HB2 H 5.264 14.409 -9.762 1.00 . A A . 8 ASN HB2 1 1 1 136 1 1 9 ASN HB3 H 5.501 12.743 -9.171 1.00 . A A . 8 ASN HB3 1 1 1 137 1 1 9 ASN HD21 H 7.751 12.701 -10.038 1.00 . A A . 8 ASN HD21 1 1 1 138 1 1 9 ASN HD22 H 7.975 12.552 -11.739 1.00 . A A . 8 ASN HD22 1 1 1 139 1 1 9 ASN N N 3.680 11.611 -10.903 1.00 . A A . 8 ASN N 1 1 1 140 1 1 9 ASN ND2 N 7.377 12.743 -10.963 1.00 . A A . 8 ASN ND2 1 1 1 141 1 1 9 ASN O O 3.331 15.139 -11.174 1.00 . A A . 8 ASN O 1 1 1 142 1 1 9 ASN OD1 O 5.632 13.090 -12.332 1.00 . A A . 8 ASN OD1 1 1 1 143 1 1 10 LYS C C 0.000 14.084 -13.101 1.00 . A A . 9 LYS C 1 1 1 144 1 1 10 LYS CA C 1.477 14.392 -13.105 1.00 . A A . 9 LYS CA 1 1 1 145 1 1 10 LYS CB C 2.127 14.161 -14.497 1.00 . A A . 9 LYS CB 1 1 1 146 1 1 10 LYS CD C 1.456 16.207 -15.965 1.00 . A A . 9 LYS CD 1 1 1 147 1 1 10 LYS CE C 0.533 17.072 -15.067 1.00 . A A . 9 LYS CE 1 1 1 148 1 1 10 LYS CG C 2.585 15.459 -15.208 1.00 . A A . 9 LYS CG 1 1 1 149 1 1 10 LYS H H 1.929 12.533 -12.223 1.00 . A A . 9 LYS H 1 1 1 150 1 1 10 LYS HA H 1.583 15.438 -12.790 1.00 . A A . 9 LYS HA 1 1 1 151 1 1 10 LYS HB2 H 3.033 13.554 -14.339 1.00 . A A . 9 LYS HB2 1 1 1 152 1 1 10 LYS HB3 H 1.471 13.597 -15.176 1.00 . A A . 9 LYS HB3 1 1 1 153 1 1 10 LYS HD2 H 1.964 16.877 -16.676 1.00 . A A . 9 LYS HD2 1 1 1 154 1 1 10 LYS HD3 H 0.844 15.503 -16.552 1.00 . A A . 9 LYS HD3 1 1 1 155 1 1 10 LYS HE2 H -0.332 16.473 -14.744 1.00 . A A . 9 LYS HE2 1 1 1 156 1 1 10 LYS HE3 H 1.068 17.432 -14.175 1.00 . A A . 9 LYS HE3 1 1 1 157 1 1 10 LYS HG2 H 3.107 16.129 -14.507 1.00 . A A . 9 LYS HG2 1 1 1 158 1 1 10 LYS HG3 H 3.317 15.149 -15.971 1.00 . A A . 9 LYS HG3 1 1 1 159 1 1 10 LYS HZ1 H -0.369 17.981 -16.766 1.00 . A A . 9 LYS HZ1 1 1 1 160 1 1 10 LYS HZ2 H 0.878 18.944 -15.991 1.00 . A A . 9 LYS HZ2 1 1 1 161 1 1 10 LYS HZ3 H -0.687 18.793 -15.246 1.00 . A A . 9 LYS HZ3 1 1 1 162 1 1 10 LYS N N 2.131 13.501 -12.155 1.00 . A A . 9 LYS N 1 1 1 163 1 1 10 LYS NZ N 0.061 18.257 -15.813 1.00 . A A . 9 LYS NZ 1 1 1 164 1 1 10 LYS O O -0.787 14.947 -12.748 1.00 . A A . 9 LYS O 1 1 1 165 1 1 11 CYS C C -2.175 11.768 -12.156 1.00 . A A . 10 CYS C 1 1 1 166 1 1 11 CYS CA C -1.803 12.489 -13.431 1.00 . A A . 10 CYS CA 1 1 1 167 1 1 11 CYS CB C -2.108 11.581 -14.634 1.00 . A A . 10 CYS CB 1 1 1 168 1 1 11 CYS H H 0.264 12.160 -13.762 1.00 . A A . 10 CYS H 1 1 1 169 1 1 11 CYS HA H -2.454 13.369 -13.541 1.00 . A A . 10 CYS HA 1 1 1 170 1 1 11 CYS HB2 H -3.146 11.258 -14.567 1.00 . A A . 10 CYS HB2 1 1 1 171 1 1 11 CYS HB3 H -1.919 12.086 -15.593 1.00 . A A . 10 CYS HB3 1 1 1 172 1 1 11 CYS N N -0.394 12.853 -13.480 1.00 . A A . 10 CYS N 1 1 1 173 1 1 11 CYS O O -3.336 11.429 -11.996 1.00 . A A . 10 CYS O 1 1 1 174 1 1 11 CYS SG S -1.115 10.090 -14.539 1.00 . A A . 10 CYS SG 1 1 1 175 1 1 12 CYS C C -1.987 9.402 -10.153 1.00 . A A . 11 CYS C 1 1 1 176 1 1 12 CYS CA C -1.575 10.849 -9.984 1.00 . A A . 11 CYS CA 1 1 1 177 1 1 12 CYS CB C -2.604 11.657 -9.159 1.00 . A A . 11 CYS CB 1 1 1 178 1 1 12 CYS H H -0.270 11.773 -11.352 1.00 . A A . 11 CYS H 1 1 1 179 1 1 12 CYS HA H -0.672 10.857 -9.372 1.00 . A A . 11 CYS HA 1 1 1 180 1 1 12 CYS HB2 H -3.627 11.497 -9.528 1.00 . A A . 11 CYS HB2 1 1 1 181 1 1 12 CYS HB3 H -2.559 11.341 -8.105 1.00 . A A . 11 CYS HB3 1 1 1 182 1 1 12 CYS HG H -2.859 13.706 -9.932 1.00 . A A . 11 CYS HG 1 1 1 183 1 1 12 CYS N N -1.227 11.515 -11.231 1.00 . A A . 11 CYS N 1 1 1 184 1 1 12 CYS O O -2.564 8.837 -9.238 1.00 . A A . 11 CYS O 1 1 1 185 1 1 12 CYS SG S -2.178 13.429 -9.242 1.00 . A A . 11 CYS SG 1 1 1 186 1 1 13 LEU C C -1.168 6.437 -10.987 1.00 . A A . 12 LEU C 1 1 1 187 1 1 13 LEU CA C -2.150 7.420 -11.585 1.00 . A A . 12 LEU CA 1 1 1 188 1 1 13 LEU CB C -2.202 7.192 -13.121 1.00 . A A . 12 LEU CB 1 1 1 189 1 1 13 LEU CD1 C -4.306 5.773 -13.652 1.00 . A A . 12 LEU CD1 1 1 1 190 1 1 13 LEU CD2 C -2.036 5.187 -14.766 1.00 . A A . 12 LEU CD2 1 1 1 191 1 1 13 LEU CG C -2.757 5.792 -13.527 1.00 . A A . 12 LEU CG 1 1 1 192 1 1 13 LEU H H -1.183 9.243 -12.021 1.00 . A A . 12 LEU H 1 1 1 193 1 1 13 LEU HA H -3.162 7.292 -11.173 1.00 . A A . 12 LEU HA 1 1 1 194 1 1 13 LEU HB2 H -2.814 7.979 -13.588 1.00 . A A . 12 LEU HB2 1 1 1 195 1 1 13 LEU HB3 H -1.163 7.314 -13.463 1.00 . A A . 12 LEU HB3 1 1 1 196 1 1 13 LEU HD11 H -4.748 6.539 -13.001 1.00 . A A . 12 LEU HD11 1 1 1 197 1 1 13 LEU HD12 H -4.705 4.797 -13.338 1.00 . A A . 12 LEU HD12 1 1 1 198 1 1 13 LEU HD13 H -4.642 5.944 -14.683 1.00 . A A . 12 LEU HD13 1 1 1 199 1 1 13 LEU HD21 H -2.747 4.889 -15.550 1.00 . A A . 12 LEU HD21 1 1 1 200 1 1 13 LEU HD22 H -1.482 4.286 -14.468 1.00 . A A . 12 LEU HD22 1 1 1 201 1 1 13 LEU HD23 H -1.305 5.880 -15.202 1.00 . A A . 12 LEU HD23 1 1 1 202 1 1 13 LEU HG H -2.540 5.091 -12.715 1.00 . A A . 12 LEU HG 1 1 1 203 1 1 13 LEU N N -1.703 8.782 -11.317 1.00 . A A . 12 LEU N 1 1 1 204 1 1 13 LEU O O 0.025 6.689 -11.053 1.00 . A A . 12 LEU O 1 1 1 205 1 1 14 ASN C C -0.115 3.474 -10.939 1.00 . A A . 13 ASN C 1 1 1 206 1 1 14 ASN CA C -0.770 4.302 -9.863 1.00 . A A . 13 ASN CA 1 1 1 207 1 1 14 ASN CB C -1.486 3.363 -8.855 1.00 . A A . 13 ASN CB 1 1 1 208 1 1 14 ASN CG C -0.742 3.329 -7.546 1.00 . A A . 13 ASN CG 1 1 1 209 1 1 14 ASN H H -2.647 5.147 -10.389 1.00 . A A . 13 ASN H 1 1 1 210 1 1 14 ASN HA H 0.017 4.819 -9.314 1.00 . A A . 13 ASN HA 1 1 1 211 1 1 14 ASN HB2 H -2.502 3.712 -8.623 1.00 . A A . 13 ASN HB2 1 1 1 212 1 1 14 ASN HB3 H -1.569 2.349 -9.276 1.00 . A A . 13 ASN HB3 1 1 1 213 1 1 14 ASN HD21 H -1.182 5.287 -7.108 1.00 . A A . 13 ASN HD21 1 1 1 214 1 1 14 ASN HD22 H -0.243 4.442 -5.924 1.00 . A A . 13 ASN HD22 1 1 1 215 1 1 14 ASN N N -1.663 5.316 -10.414 1.00 . A A . 13 ASN N 1 1 1 216 1 1 14 ASN ND2 N -0.722 4.452 -6.801 1.00 . A A . 13 ASN ND2 1 1 1 217 1 1 14 ASN O O -0.628 3.431 -12.045 1.00 . A A . 13 ASN O 1 1 1 218 1 1 14 ASN OD1 O -0.184 2.304 -7.192 1.00 . A A . 13 ASN OD1 1 1 1 219 1 1 15 ASN C C 2.565 0.930 -10.998 1.00 . A A . 14 ASN C 1 1 1 220 1 1 15 ASN CA C 1.629 1.932 -11.630 1.00 . A A . 14 ASN CA 1 1 1 221 1 1 15 ASN CB C 2.459 2.754 -12.641 1.00 . A A . 14 ASN CB 1 1 1 222 1 1 15 ASN CG C 1.638 3.349 -13.755 1.00 . A A . 14 ASN CG 1 1 1 223 1 1 15 ASN H H 1.446 2.866 -9.731 1.00 . A A . 14 ASN H 1 1 1 224 1 1 15 ASN HA H 0.832 1.364 -12.132 1.00 . A A . 14 ASN HA 1 1 1 225 1 1 15 ASN HB2 H 2.944 3.554 -12.067 1.00 . A A . 14 ASN HB2 1 1 1 226 1 1 15 ASN HB3 H 3.238 2.127 -13.102 1.00 . A A . 14 ASN HB3 1 1 1 227 1 1 15 ASN HD21 H 1.015 1.535 -14.499 1.00 . A A . 14 ASN HD21 1 1 1 228 1 1 15 ASN HD22 H 0.449 2.927 -15.342 1.00 . A A . 14 ASN HD22 1 1 1 229 1 1 15 ASN N N 1.008 2.789 -10.631 1.00 . A A . 14 ASN N 1 1 1 230 1 1 15 ASN ND2 N 0.988 2.526 -14.604 1.00 . A A . 14 ASN ND2 1 1 1 231 1 1 15 ASN O O 3.093 1.192 -9.928 1.00 . A A . 14 ASN O 1 1 1 232 1 1 15 ASN OD1 O 1.588 4.561 -13.878 1.00 . A A . 14 ASN OD1 1 1 1 233 1 1 16 PHE C C 4.981 -0.849 -10.847 1.00 . A A . 15 PHE C 1 1 1 234 1 1 16 PHE CA C 3.555 -1.298 -11.089 1.00 . A A . 15 PHE CA 1 1 1 235 1 1 16 PHE CB C 3.552 -2.600 -11.950 1.00 . A A . 15 PHE CB 1 1 1 236 1 1 16 PHE CD1 C 1.561 -4.022 -11.255 1.00 . A A . 15 PHE CD1 1 1 1 237 1 1 16 PHE CD2 C 3.748 -4.650 -10.453 1.00 . A A . 15 PHE CD2 1 1 1 238 1 1 16 PHE CE1 C 1.007 -5.134 -10.616 1.00 . A A . 15 PHE CE1 1 1 1 239 1 1 16 PHE CE2 C 3.196 -5.760 -9.812 1.00 . A A . 15 PHE CE2 1 1 1 240 1 1 16 PHE CG C 2.938 -3.786 -11.197 1.00 . A A . 15 PHE CG 1 1 1 241 1 1 16 PHE CZ C 1.825 -6.008 -9.898 1.00 . A A . 15 PHE CZ 1 1 1 242 1 1 16 PHE H H 2.330 -0.363 -12.564 1.00 . A A . 15 PHE H 1 1 1 243 1 1 16 PHE HA H 3.085 -1.536 -10.127 1.00 . A A . 15 PHE HA 1 1 1 244 1 1 16 PHE HB2 H 2.987 -2.487 -12.888 1.00 . A A . 15 PHE HB2 1 1 1 245 1 1 16 PHE HB3 H 4.578 -2.861 -12.244 1.00 . A A . 15 PHE HB3 1 1 1 246 1 1 16 PHE HD1 H 0.911 -3.343 -11.796 1.00 . A A . 15 PHE HD1 1 1 1 247 1 1 16 PHE HD2 H 4.813 -4.470 -10.364 1.00 . A A . 15 PHE HD2 1 1 1 248 1 1 16 PHE HE1 H -0.061 -5.319 -10.676 1.00 . A A . 15 PHE HE1 1 1 1 249 1 1 16 PHE HE2 H 3.835 -6.429 -9.245 1.00 . A A . 15 PHE HE2 1 1 1 250 1 1 16 PHE HZ H 1.397 -6.875 -9.406 1.00 . A A . 15 PHE HZ 1 1 1 251 1 1 16 PHE N N 2.763 -0.222 -11.677 1.00 . A A . 15 PHE N 1 1 1 252 1 1 16 PHE O O 5.499 -0.042 -11.601 1.00 . A A . 15 PHE O 1 1 1 253 1 1 17 ARG C C 7.948 -1.490 -10.725 1.00 . A A . 16 ARG C 1 1 1 254 1 1 17 ARG CA C 7.068 -1.045 -9.593 1.00 . A A . 16 ARG CA 1 1 1 255 1 1 17 ARG CB C 7.625 -1.587 -8.250 1.00 . A A . 16 ARG CB 1 1 1 256 1 1 17 ARG CD C 9.190 -0.120 -6.794 1.00 . A A . 16 ARG CD 1 1 1 257 1 1 17 ARG CG C 7.722 -0.494 -7.145 1.00 . A A . 16 ARG CG 1 1 1 258 1 1 17 ARG CZ C 10.770 -0.404 -4.939 1.00 . A A . 16 ARG CZ 1 1 1 259 1 1 17 ARG H H 5.184 -2.027 -9.200 1.00 . A A . 16 ARG H 1 1 1 260 1 1 17 ARG HA H 7.204 0.032 -9.652 1.00 . A A . 16 ARG HA 1 1 1 261 1 1 17 ARG HB2 H 6.941 -2.364 -7.918 1.00 . A A . 16 ARG HB2 1 1 1 262 1 1 17 ARG HB3 H 8.588 -2.096 -8.406 1.00 . A A . 16 ARG HB3 1 1 1 263 1 1 17 ARG HD2 H 9.868 -0.340 -7.634 1.00 . A A . 16 ARG HD2 1 1 1 264 1 1 17 ARG HD3 H 9.171 0.968 -6.631 1.00 . A A . 16 ARG HD3 1 1 1 265 1 1 17 ARG HE H 9.113 -1.523 -5.170 1.00 . A A . 16 ARG HE 1 1 1 266 1 1 17 ARG HG2 H 7.169 0.409 -7.441 1.00 . A A . 16 ARG HG2 1 1 1 267 1 1 17 ARG HG3 H 7.223 -0.823 -6.229 1.00 . A A . 16 ARG HG3 1 1 1 268 1 1 17 ARG HH11 H 11.410 0.996 -6.283 1.00 . A A . 16 ARG HH11 1 1 1 269 1 1 17 ARG HH12 H 12.416 0.796 -4.859 1.00 . A A . 16 ARG HH12 1 1 1 270 1 1 17 ARG HH21 H 10.474 -1.736 -3.413 1.00 . A A . 16 ARG HH21 1 1 1 271 1 1 17 ARG HH22 H 11.917 -0.736 -3.281 1.00 . A A . 16 ARG HH22 1 1 1 272 1 1 17 ARG N N 5.655 -1.380 -9.807 1.00 . A A . 16 ARG N 1 1 1 273 1 1 17 ARG NE N 9.679 -0.766 -5.570 1.00 . A A . 16 ARG NE 1 1 1 274 1 1 17 ARG NH1 N 11.574 0.526 -5.387 1.00 . A A . 16 ARG NH1 1 1 1 275 1 1 17 ARG NH2 N 11.071 -0.994 -3.809 1.00 . A A . 16 ARG NH2 1 1 1 276 1 1 17 ARG O O 8.940 -0.840 -11.014 1.00 . A A . 16 ARG O 1 1 1 277 1 1 18 LYS C C 8.215 -2.017 -13.679 1.00 . A A . 17 LYS C 1 1 1 278 1 1 18 LYS CA C 8.341 -3.016 -12.553 1.00 . A A . 17 LYS CA 1 1 1 279 1 1 18 LYS CB C 7.752 -4.377 -12.987 1.00 . A A . 17 LYS CB 1 1 1 280 1 1 18 LYS CD C 7.770 -6.271 -14.650 1.00 . A A . 17 LYS CD 1 1 1 281 1 1 18 LYS CE C 8.097 -6.657 -16.112 1.00 . A A . 17 LYS CE 1 1 1 282 1 1 18 LYS CG C 8.358 -4.882 -14.313 1.00 . A A . 17 LYS CG 1 1 1 283 1 1 18 LYS H H 6.791 -3.121 -11.079 1.00 . A A . 17 LYS H 1 1 1 284 1 1 18 LYS HA H 9.403 -3.136 -12.289 1.00 . A A . 17 LYS HA 1 1 1 285 1 1 18 LYS HB2 H 7.936 -5.110 -12.185 1.00 . A A . 17 LYS HB2 1 1 1 286 1 1 18 LYS HB3 H 6.666 -4.267 -13.131 1.00 . A A . 17 LYS HB3 1 1 1 287 1 1 18 LYS HD2 H 8.170 -7.025 -13.955 1.00 . A A . 17 LYS HD2 1 1 1 288 1 1 18 LYS HD3 H 6.675 -6.224 -14.536 1.00 . A A . 17 LYS HD3 1 1 1 289 1 1 18 LYS HE2 H 7.741 -5.851 -16.775 1.00 . A A . 17 LYS HE2 1 1 1 290 1 1 18 LYS HE3 H 9.190 -6.738 -16.229 1.00 . A A . 17 LYS HE3 1 1 1 291 1 1 18 LYS HG2 H 8.081 -4.185 -15.117 1.00 . A A . 17 LYS HG2 1 1 1 292 1 1 18 LYS HG3 H 9.456 -4.934 -14.242 1.00 . A A . 17 LYS HG3 1 1 1 293 1 1 18 LYS HZ1 H 8.142 -8.737 -16.542 1.00 . A A . 17 LYS HZ1 1 1 1 294 1 1 18 LYS HZ2 H 6.981 -7.835 -17.480 1.00 . A A . 17 LYS HZ2 1 1 1 295 1 1 18 LYS HZ3 H 6.646 -8.225 -15.827 1.00 . A A . 17 LYS HZ3 1 1 1 296 1 1 18 LYS N N 7.586 -2.599 -11.383 1.00 . A A . 17 LYS N 1 1 1 297 1 1 18 LYS NZ N 7.434 -7.922 -16.502 1.00 . A A . 17 LYS NZ 1 1 1 298 1 1 18 LYS O O 9.086 -1.977 -14.534 1.00 . A A . 17 LYS O 1 1 1 299 1 1 19 ARG C C 8.155 0.636 -14.932 1.00 . A A . 18 ARG C 1 1 1 300 1 1 19 ARG CA C 6.959 -0.293 -14.833 1.00 . A A . 18 ARG CA 1 1 1 301 1 1 19 ARG CB C 5.668 0.570 -14.686 1.00 . A A . 18 ARG CB 1 1 1 302 1 1 19 ARG CD C 3.599 -0.194 -15.973 1.00 . A A . 18 ARG CD 1 1 1 303 1 1 19 ARG CG C 4.812 0.769 -15.969 1.00 . A A . 18 ARG CG 1 1 1 304 1 1 19 ARG CZ C 3.594 -1.021 -18.275 1.00 . A A . 18 ARG CZ 1 1 1 305 1 1 19 ARG H H 6.446 -1.241 -13.000 1.00 . A A . 18 ARG H 1 1 1 306 1 1 19 ARG HA H 6.904 -0.903 -15.747 1.00 . A A . 18 ARG HA 1 1 1 307 1 1 19 ARG HB2 H 4.972 0.182 -13.934 1.00 . A A . 18 ARG HB2 1 1 1 308 1 1 19 ARG HB3 H 6.013 1.538 -14.319 1.00 . A A . 18 ARG HB3 1 1 1 309 1 1 19 ARG HD2 H 3.826 -1.187 -15.557 1.00 . A A . 18 ARG HD2 1 1 1 310 1 1 19 ARG HD3 H 2.837 0.244 -15.312 1.00 . A A . 18 ARG HD3 1 1 1 311 1 1 19 ARG HE H 2.183 0.225 -17.511 1.00 . A A . 18 ARG HE 1 1 1 312 1 1 19 ARG HG2 H 4.423 1.801 -15.987 1.00 . A A . 18 ARG HG2 1 1 1 313 1 1 19 ARG HG3 H 5.378 0.621 -16.895 1.00 . A A . 18 ARG HG3 1 1 1 314 1 1 19 ARG HH11 H 5.188 -1.755 -17.222 1.00 . A A . 18 ARG HH11 1 1 1 315 1 1 19 ARG HH12 H 5.086 -2.271 -18.890 1.00 . A A . 18 ARG HH12 1 1 1 316 1 1 19 ARG HH21 H 2.155 -0.512 -19.633 1.00 . A A . 18 ARG HH21 1 1 1 317 1 1 19 ARG HH22 H 3.406 -1.602 -20.222 1.00 . A A . 18 ARG HH22 1 1 1 318 1 1 19 ARG N N 7.133 -1.213 -13.719 1.00 . A A . 18 ARG N 1 1 1 319 1 1 19 ARG NE N 3.052 -0.297 -17.322 1.00 . A A . 18 ARG NE 1 1 1 320 1 1 19 ARG NH1 N 4.689 -1.723 -18.115 1.00 . A A . 18 ARG NH1 1 1 1 321 1 1 19 ARG NH2 N 3.016 -1.046 -19.448 1.00 . A A . 18 ARG NH2 1 1 1 322 1 1 19 ARG O O 8.993 0.679 -14.046 1.00 . A A . 18 ARG O 1 1 1 323 1 1 20 LEU C C 8.645 3.771 -16.344 1.00 . A A . 19 LEU C 1 1 1 324 1 1 20 LEU CA C 9.235 2.381 -16.299 1.00 . A A . 19 LEU CA 1 1 1 325 1 1 20 LEU CB C 9.986 2.089 -17.626 1.00 . A A . 19 LEU CB 1 1 1 326 1 1 20 LEU CD1 C 9.908 2.116 -20.156 1.00 . A A . 19 LEU CD1 1 1 1 327 1 1 20 LEU CD2 C 8.632 0.275 -18.944 1.00 . A A . 19 LEU CD2 1 1 1 328 1 1 20 LEU CG C 9.107 1.761 -18.876 1.00 . A A . 19 LEU CG 1 1 1 329 1 1 20 LEU H H 7.476 1.316 -16.698 1.00 . A A . 19 LEU H 1 1 1 330 1 1 20 LEU HA H 9.985 2.384 -15.491 1.00 . A A . 19 LEU HA 1 1 1 331 1 1 20 LEU HB2 H 10.589 2.988 -17.827 1.00 . A A . 19 LEU HB2 1 1 1 332 1 1 20 LEU HB3 H 10.690 1.261 -17.454 1.00 . A A . 19 LEU HB3 1 1 1 333 1 1 20 LEU HD11 H 10.112 3.196 -20.184 1.00 . A A . 19 LEU HD11 1 1 1 334 1 1 20 LEU HD12 H 9.338 1.861 -21.062 1.00 . A A . 19 LEU HD12 1 1 1 335 1 1 20 LEU HD13 H 10.863 1.571 -20.168 1.00 . A A . 19 LEU HD13 1 1 1 336 1 1 20 LEU HD21 H 7.617 0.138 -18.549 1.00 . A A . 19 LEU HD21 1 1 1 337 1 1 20 LEU HD22 H 9.312 -0.390 -18.392 1.00 . A A . 19 LEU HD22 1 1 1 338 1 1 20 LEU HD23 H 8.592 -0.078 -19.983 1.00 . A A . 19 LEU HD23 1 1 1 339 1 1 20 LEU HG H 8.225 2.414 -18.913 1.00 . A A . 19 LEU HG 1 1 1 340 1 1 20 LEU N N 8.196 1.399 -16.039 1.00 . A A . 19 LEU N 1 1 1 341 1 1 20 LEU O O 9.305 4.672 -15.857 1.00 . A A . 19 LEU O 1 1 1 342 1 1 21 LYS C C 5.444 5.282 -17.017 1.00 . A A . 20 LYS C 1 1 1 343 1 1 21 LYS CA C 6.935 5.362 -16.983 1.00 . A A . 20 LYS CA 1 1 1 344 1 1 21 LYS CB C 7.450 6.071 -18.261 1.00 . A A . 20 LYS CB 1 1 1 345 1 1 21 LYS CD C 7.844 5.591 -20.736 1.00 . A A . 20 LYS CD 1 1 1 346 1 1 21 LYS CE C 7.397 4.651 -21.883 1.00 . A A . 20 LYS CE 1 1 1 347 1 1 21 LYS CG C 6.881 5.414 -19.540 1.00 . A A . 20 LYS CG 1 1 1 348 1 1 21 LYS H H 6.819 3.314 -17.267 1.00 . A A . 20 LYS H 1 1 1 349 1 1 21 LYS HA H 7.204 5.884 -16.055 1.00 . A A . 20 LYS HA 1 1 1 350 1 1 21 LYS HB2 H 7.138 7.123 -18.324 1.00 . A A . 20 LYS HB2 1 1 1 351 1 1 21 LYS HB3 H 8.548 6.031 -18.231 1.00 . A A . 20 LYS HB3 1 1 1 352 1 1 21 LYS HD2 H 7.819 6.651 -21.035 1.00 . A A . 20 LYS HD2 1 1 1 353 1 1 21 LYS HD3 H 8.876 5.328 -20.460 1.00 . A A . 20 LYS HD3 1 1 1 354 1 1 21 LYS HE2 H 7.660 3.616 -21.610 1.00 . A A . 20 LYS HE2 1 1 1 355 1 1 21 LYS HE3 H 6.300 4.701 -21.970 1.00 . A A . 20 LYS HE3 1 1 1 356 1 1 21 LYS HG2 H 6.713 4.341 -19.389 1.00 . A A . 20 LYS HG2 1 1 1 357 1 1 21 LYS HG3 H 5.909 5.879 -19.782 1.00 . A A . 20 LYS HG3 1 1 1 358 1 1 21 LYS HZ1 H 7.275 4.908 -23.974 1.00 . A A . 20 LYS HZ1 1 1 1 359 1 1 21 LYS HZ2 H 8.829 4.329 -23.431 1.00 . A A . 20 LYS HZ2 1 1 1 360 1 1 21 LYS HZ3 H 8.391 6.000 -23.228 1.00 . A A . 20 LYS HZ3 1 1 1 361 1 1 21 LYS N N 7.433 4.004 -16.897 1.00 . A A . 20 LYS N 1 1 1 362 1 1 21 LYS NZ N 8.010 4.991 -23.185 1.00 . A A . 20 LYS NZ 1 1 1 363 1 1 21 LYS O O 4.902 4.221 -17.284 1.00 . A A . 20 LYS O 1 1 1 364 1 1 22 CYS C C 2.743 6.015 -17.948 1.00 . A A . 21 CYS C 1 1 1 365 1 1 22 CYS CA C 3.352 6.369 -16.620 1.00 . A A . 21 CYS CA 1 1 1 366 1 1 22 CYS CB C 2.885 7.743 -16.118 1.00 . A A . 21 CYS CB 1 1 1 367 1 1 22 CYS H H 5.270 7.273 -16.542 1.00 . A A . 21 CYS H 1 1 1 368 1 1 22 CYS HA H 3.066 5.618 -15.871 1.00 . A A . 21 CYS HA 1 1 1 369 1 1 22 CYS HB2 H 3.419 8.025 -15.199 1.00 . A A . 21 CYS HB2 1 1 1 370 1 1 22 CYS HB3 H 3.015 8.518 -16.887 1.00 . A A . 21 CYS HB3 1 1 1 371 1 1 22 CYS N N 4.789 6.411 -16.723 1.00 . A A . 21 CYS N 1 1 1 372 1 1 22 CYS O O 3.052 6.664 -18.933 1.00 . A A . 21 CYS O 1 1 1 373 1 1 22 CYS SG S 1.154 7.509 -15.711 1.00 . A A . 21 CYS SG 1 1 1 374 1 1 23 PHE C C 0.123 5.526 -19.624 1.00 . A A . 22 PHE C 1 1 1 375 1 1 23 PHE CA C 1.266 4.602 -19.263 1.00 . A A . 22 PHE CA 1 1 1 376 1 1 23 PHE CB C 0.774 3.138 -19.114 1.00 . A A . 22 PHE CB 1 1 1 377 1 1 23 PHE CD1 C 1.917 2.132 -21.132 1.00 . A A . 22 PHE CD1 1 1 1 378 1 1 23 PHE CD2 C -0.492 1.987 -21.005 1.00 . A A . 22 PHE CD2 1 1 1 379 1 1 23 PHE CE1 C 1.896 1.464 -22.357 1.00 . A A . 22 PHE CE1 1 1 1 380 1 1 23 PHE CE2 C -0.511 1.296 -22.219 1.00 . A A . 22 PHE CE2 1 1 1 381 1 1 23 PHE CG C 0.723 2.403 -20.456 1.00 . A A . 22 PHE CG 1 1 1 382 1 1 23 PHE CZ C 0.682 1.039 -22.898 1.00 . A A . 22 PHE CZ 1 1 1 383 1 1 23 PHE H H 1.590 4.508 -17.163 1.00 . A A . 22 PHE H 1 1 1 384 1 1 23 PHE HA H 2.029 4.654 -20.054 1.00 . A A . 22 PHE HA 1 1 1 385 1 1 23 PHE HB2 H 1.486 2.563 -18.503 1.00 . A A . 22 PHE HB2 1 1 1 386 1 1 23 PHE HB3 H -0.201 3.129 -18.601 1.00 . A A . 22 PHE HB3 1 1 1 387 1 1 23 PHE HD1 H 2.868 2.438 -20.710 1.00 . A A . 22 PHE HD1 1 1 1 388 1 1 23 PHE HD2 H -1.427 2.194 -20.495 1.00 . A A . 22 PHE HD2 1 1 1 389 1 1 23 PHE HE1 H 2.824 1.276 -22.887 1.00 . A A . 22 PHE HE1 1 1 1 390 1 1 23 PHE HE2 H -1.454 0.959 -22.635 1.00 . A A . 22 PHE HE2 1 1 1 391 1 1 23 PHE HZ H 0.665 0.511 -23.845 1.00 . A A . 22 PHE HZ 1 1 1 392 1 1 23 PHE N N 1.872 4.985 -17.996 1.00 . A A . 22 PHE N 1 1 1 393 1 1 23 PHE O O -0.353 5.453 -20.745 1.00 . A A . 22 PHE O 1 1 1 394 1 1 24 ARG C C -0.956 8.547 -19.636 1.00 . A A . 23 ARG C 1 1 1 395 1 1 24 ARG CA C -1.450 7.288 -18.961 1.00 . A A . 23 ARG CA 1 1 1 396 1 1 24 ARG CB C -2.189 7.607 -17.628 1.00 . A A . 23 ARG CB 1 1 1 397 1 1 24 ARG CD C -3.958 9.430 -16.944 1.00 . A A . 23 ARG CD 1 1 1 398 1 1 24 ARG CG C -3.589 8.233 -17.868 1.00 . A A . 23 ARG CG 1 1 1 399 1 1 24 ARG CZ C -5.375 9.873 -14.983 1.00 . A A . 23 ARG CZ 1 1 1 400 1 1 24 ARG H H 0.070 6.445 -17.788 1.00 . A A . 23 ARG H 1 1 1 401 1 1 24 ARG HA H -2.165 6.772 -19.621 1.00 . A A . 23 ARG HA 1 1 1 402 1 1 24 ARG HB2 H -2.350 6.645 -17.133 1.00 . A A . 23 ARG HB2 1 1 1 403 1 1 24 ARG HB3 H -1.575 8.223 -16.957 1.00 . A A . 23 ARG HB3 1 1 1 404 1 1 24 ARG HD2 H -3.063 10.026 -16.722 1.00 . A A . 23 ARG HD2 1 1 1 405 1 1 24 ARG HD3 H -4.643 10.033 -17.556 1.00 . A A . 23 ARG HD3 1 1 1 406 1 1 24 ARG HE H -4.615 8.062 -15.456 1.00 . A A . 23 ARG HE 1 1 1 407 1 1 24 ARG HG2 H -3.610 8.608 -18.902 1.00 . A A . 23 ARG HG2 1 1 1 408 1 1 24 ARG HG3 H -4.356 7.446 -17.788 1.00 . A A . 23 ARG HG3 1 1 1 409 1 1 24 ARG HH11 H -4.973 11.599 -16.005 1.00 . A A . 23 ARG HH11 1 1 1 410 1 1 24 ARG HH12 H -6.026 11.771 -14.613 1.00 . A A . 23 ARG HH12 1 1 1 411 1 1 24 ARG HH21 H -6.021 8.401 -13.725 1.00 . A A . 23 ARG HH21 1 1 1 412 1 1 24 ARG HH22 H -6.586 10.019 -13.342 1.00 . A A . 23 ARG HH22 1 1 1 413 1 1 24 ARG N N -0.334 6.391 -18.691 1.00 . A A . 23 ARG N 1 1 1 414 1 1 24 ARG NE N -4.664 9.048 -15.721 1.00 . A A . 23 ARG NE 1 1 1 415 1 1 24 ARG NH1 N -5.470 11.157 -15.223 1.00 . A A . 23 ARG NH1 1 1 1 416 1 1 24 ARG NH2 N -6.031 9.402 -13.952 1.00 . A A . 23 ARG NH2 1 1 1 417 1 1 24 ARG O O -1.320 8.786 -20.775 1.00 . A A . 23 ARG O 1 1 1 418 1 1 25 CYS C C 1.624 10.280 -20.369 1.00 . A A . 24 CYS C 1 1 1 419 1 1 25 CYS CA C 0.371 10.587 -19.581 1.00 . A A . 24 CYS CA 1 1 1 420 1 1 25 CYS CB C 0.588 11.702 -18.524 1.00 . A A . 24 CYS CB 1 1 1 421 1 1 25 CYS H H 0.207 9.135 -18.047 1.00 . A A . 24 CYS H 1 1 1 422 1 1 25 CYS HA H -0.378 10.997 -20.277 1.00 . A A . 24 CYS HA 1 1 1 423 1 1 25 CYS HB2 H 0.992 12.612 -18.992 1.00 . A A . 24 CYS HB2 1 1 1 424 1 1 25 CYS HB3 H -0.367 11.944 -18.034 1.00 . A A . 24 CYS HB3 1 1 1 425 1 1 25 CYS N N -0.130 9.369 -18.955 1.00 . A A . 24 CYS N 1 1 1 426 1 1 25 CYS O O 1.983 11.096 -21.202 1.00 . A A . 24 CYS O 1 1 1 427 1 1 25 CYS SG S 1.730 11.181 -17.222 1.00 . A A . 24 CYS SG 1 1 1 428 1 1 26 GLY C C 4.755 9.307 -20.108 1.00 . A A . 25 GLY C 1 1 1 429 1 1 26 GLY CA C 3.537 8.847 -20.874 1.00 . A A . 25 GLY CA 1 1 1 430 1 1 26 GLY H H 2.054 8.462 -19.442 1.00 . A A . 25 GLY H 1 1 1 431 1 1 26 GLY HA2 H 3.617 7.765 -21.057 1.00 . A A . 25 GLY HA2 1 1 1 432 1 1 26 GLY HA3 H 3.535 9.335 -21.860 1.00 . A A . 25 GLY HA3 1 1 1 433 1 1 26 GLY N N 2.309 9.131 -20.141 1.00 . A A . 25 GLY N 1 1 1 434 1 1 26 GLY O O 5.848 8.878 -20.441 1.00 . A A . 25 GLY O 1 1 1 435 1 1 27 ALA C C 6.348 9.805 -17.450 1.00 . A A . 26 ALA C 1 1 1 436 1 1 27 ALA CA C 5.761 10.775 -18.441 1.00 . A A . 26 ALA CA 1 1 1 437 1 1 27 ALA CB C 5.414 12.091 -17.699 1.00 . A A . 26 ALA CB 1 1 1 438 1 1 27 ALA H H 3.706 10.492 -18.794 1.00 . A A . 26 ALA H 1 1 1 439 1 1 27 ALA HA H 6.501 11.014 -19.222 1.00 . A A . 26 ALA HA 1 1 1 440 1 1 27 ALA HB1 H 6.289 12.759 -17.699 1.00 . A A . 26 ALA HB1 1 1 1 441 1 1 27 ALA HB2 H 4.580 12.616 -18.190 1.00 . A A . 26 ALA HB2 1 1 1 442 1 1 27 ALA HB3 H 5.131 11.880 -16.656 1.00 . A A . 26 ALA HB3 1 1 1 443 1 1 27 ALA N N 4.602 10.195 -19.101 1.00 . A A . 26 ALA N 1 1 1 444 1 1 27 ALA O O 5.637 8.943 -16.957 1.00 . A A . 26 ALA O 1 1 1 445 1 1 28 ASP C C 7.935 9.326 -14.800 1.00 . A A . 27 ASP C 1 1 1 446 1 1 28 ASP CA C 8.277 8.998 -16.228 1.00 . A A . 27 ASP CA 1 1 1 447 1 1 28 ASP CB C 9.799 8.889 -16.478 1.00 . A A . 27 ASP CB 1 1 1 448 1 1 28 ASP CG C 10.321 7.544 -16.059 1.00 . A A . 27 ASP CG 1 1 1 449 1 1 28 ASP H H 8.214 10.671 -17.531 1.00 . A A . 27 ASP H 1 1 1 450 1 1 28 ASP HA H 7.870 8.010 -16.423 1.00 . A A . 27 ASP HA 1 1 1 451 1 1 28 ASP HB2 H 9.997 8.999 -17.555 1.00 . A A . 27 ASP HB2 1 1 1 452 1 1 28 ASP HB3 H 10.325 9.689 -15.937 1.00 . A A . 27 ASP HB3 1 1 1 453 1 1 28 ASP N N 7.656 9.936 -17.148 1.00 . A A . 27 ASP N 1 1 1 454 1 1 28 ASP O O 7.684 10.480 -14.490 1.00 . A A . 27 ASP O 1 1 1 455 1 1 28 ASP OD1 O 10.249 7.249 -14.837 1.00 . A A . 27 ASP OD1 1 1 1 456 1 1 28 ASP OD2 O 10.802 6.790 -16.950 1.00 . A A . 27 ASP OD2 1 1 1 457 1 1 29 LYS C C 8.765 9.539 -11.963 1.00 . A A . 28 LYS C 1 1 1 458 1 1 29 LYS CA C 7.717 8.590 -12.497 1.00 . A A . 28 LYS CA 1 1 1 459 1 1 29 LYS CB C 7.756 7.291 -11.652 1.00 . A A . 28 LYS CB 1 1 1 460 1 1 29 LYS CD C 9.704 5.942 -10.595 1.00 . A A . 28 LYS CD 1 1 1 461 1 1 29 LYS CE C 8.834 4.905 -9.852 1.00 . A A . 28 LYS CE 1 1 1 462 1 1 29 LYS CG C 9.045 6.462 -11.891 1.00 . A A . 28 LYS CG 1 1 1 463 1 1 29 LYS H H 8.179 7.385 -14.195 1.00 . A A . 28 LYS H 1 1 1 464 1 1 29 LYS HA H 6.725 9.056 -12.375 1.00 . A A . 28 LYS HA 1 1 1 465 1 1 29 LYS HB2 H 7.639 7.565 -10.592 1.00 . A A . 28 LYS HB2 1 1 1 466 1 1 29 LYS HB3 H 6.904 6.666 -11.940 1.00 . A A . 28 LYS HB3 1 1 1 467 1 1 29 LYS HD2 H 10.660 5.490 -10.904 1.00 . A A . 28 LYS HD2 1 1 1 468 1 1 29 LYS HD3 H 9.907 6.777 -9.911 1.00 . A A . 28 LYS HD3 1 1 1 469 1 1 29 LYS HE2 H 8.041 5.443 -9.310 1.00 . A A . 28 LYS HE2 1 1 1 470 1 1 29 LYS HE3 H 8.363 4.248 -10.597 1.00 . A A . 28 LYS HE3 1 1 1 471 1 1 29 LYS HG2 H 8.831 5.616 -12.565 1.00 . A A . 28 LYS HG2 1 1 1 472 1 1 29 LYS HG3 H 9.817 7.080 -12.363 1.00 . A A . 28 LYS HG3 1 1 1 473 1 1 29 LYS HZ1 H 9.283 4.195 -7.895 1.00 . A A . 28 LYS HZ1 1 1 1 474 1 1 29 LYS HZ2 H 10.690 4.354 -8.884 1.00 . A A . 28 LYS HZ2 1 1 1 475 1 1 29 LYS HZ3 H 9.591 3.049 -9.182 1.00 . A A . 28 LYS HZ3 1 1 1 476 1 1 29 LYS N N 7.942 8.314 -13.909 1.00 . A A . 28 LYS N 1 1 1 477 1 1 29 LYS NZ N 9.641 4.094 -8.909 1.00 . A A . 28 LYS NZ 1 1 1 478 1 1 29 LYS O O 8.511 10.158 -10.943 1.00 . A A . 28 LYS O 1 1 1 479 1 1 30 PHE C C 11.024 11.783 -13.110 1.00 . A A . 29 PHE C 1 1 1 480 1 1 30 PHE CA C 10.966 10.593 -12.178 1.00 . A A . 29 PHE CA 1 1 1 481 1 1 30 PHE CB C 12.320 9.827 -12.110 1.00 . A A . 29 PHE CB 1 1 1 482 1 1 30 PHE CD1 C 12.370 9.055 -9.705 1.00 . A A . 29 PHE CD1 1 1 1 483 1 1 30 PHE CD2 C 13.978 10.721 -10.384 1.00 . A A . 29 PHE CD2 1 1 1 484 1 1 30 PHE CE1 C 12.916 9.036 -8.421 1.00 . A A . 29 PHE CE1 1 1 1 485 1 1 30 PHE CE2 C 14.525 10.706 -9.098 1.00 . A A . 29 PHE CE2 1 1 1 486 1 1 30 PHE CG C 12.910 9.877 -10.697 1.00 . A A . 29 PHE CG 1 1 1 487 1 1 30 PHE CZ C 13.999 9.862 -8.118 1.00 . A A . 29 PHE CZ 1 1 1 488 1 1 30 PHE H H 10.136 9.152 -13.466 1.00 . A A . 29 PHE H 1 1 1 489 1 1 30 PHE HA H 10.744 10.994 -11.177 1.00 . A A . 29 PHE HA 1 1 1 490 1 1 30 PHE HB2 H 12.169 8.762 -12.341 1.00 . A A . 29 PHE HB2 1 1 1 491 1 1 30 PHE HB3 H 13.045 10.209 -12.843 1.00 . A A . 29 PHE HB3 1 1 1 492 1 1 30 PHE HD1 H 11.521 8.429 -9.936 1.00 . A A . 29 PHE HD1 1 1 1 493 1 1 30 PHE HD2 H 14.386 11.388 -11.135 1.00 . A A . 29 PHE HD2 1 1 1 494 1 1 30 PHE HE1 H 12.498 8.382 -7.662 1.00 . A A . 29 PHE HE1 1 1 1 495 1 1 30 PHE HE2 H 15.362 11.354 -8.861 1.00 . A A . 29 PHE HE2 1 1 1 496 1 1 30 PHE HZ H 14.429 9.849 -7.122 1.00 . A A . 29 PHE HZ 1 1 1 497 1 1 30 PHE N N 9.938 9.664 -12.628 1.00 . A A . 29 PHE N 1 1 1 498 1 1 30 PHE O O 12.063 12.419 -13.188 1.00 . A A . 29 PHE O 1 1 1 499 1 1 31 ASP C C 11.056 13.069 -15.760 1.00 . A A . 30 ASP C 1 1 1 500 1 1 31 ASP CA C 9.962 13.257 -14.733 1.00 . A A . 30 ASP CA 1 1 1 501 1 1 31 ASP CB C 10.034 14.619 -13.992 1.00 . A A . 30 ASP CB 1 1 1 502 1 1 31 ASP CG C 8.691 15.047 -13.470 1.00 . A A . 30 ASP CG 1 1 1 503 1 1 31 ASP H H 9.066 11.604 -13.775 1.00 . A A . 30 ASP H 1 1 1 504 1 1 31 ASP HA H 9.026 13.271 -15.316 1.00 . A A . 30 ASP HA 1 1 1 505 1 1 31 ASP HB2 H 10.744 14.577 -13.153 1.00 . A A . 30 ASP HB2 1 1 1 506 1 1 31 ASP HB3 H 10.364 15.398 -14.695 1.00 . A A . 30 ASP HB3 1 1 1 507 1 1 31 ASP N N 9.927 12.116 -13.826 1.00 . A A . 30 ASP N 1 1 1 508 1 1 31 ASP O O 10.808 12.399 -16.750 1.00 . A A . 30 ASP O 1 1 1 509 1 1 31 ASP OD1 O 7.851 15.486 -14.301 1.00 . A A . 30 ASP OD1 1 1 1 510 1 1 31 ASP OD2 O 8.480 14.968 -12.230 1.00 . A A . 30 ASP OD2 1 1 1 511 1 1 32 NH2 HN1 H 12.512 14.138 -14.772 1.00 . A A . 31 NH2 HN1 1 1 1 512 1 1 32 NH2 HN2 H 12.960 13.504 -16.312 1.00 . A A . 31 NH2 HN2 1 1 1 513 1 1 32 NH2 N N 12.274 13.627 -15.596 1.00 . A A . 31 NH2 N 1 1 1 514 2 2 1 ZN ZN ZN 1.113 9.873 -15.340 1.00 . B A . 32 ZN ZN 1 1 2 515 1 1 1 ACE C C -0.349 -0.308 -0.377 1.00 . A A . 0 ACE C 1 1 2 516 1 1 1 ACE CH3 C -1.098 -0.390 0.925 1.00 . A A . 0 ACE CH3 1 1 2 517 1 1 1 ACE H1 H -0.777 0.433 1.581 1.00 . A A . 0 ACE H1 1 1 2 518 1 1 1 ACE H2 H -0.889 -1.352 1.417 1.00 . A A . 0 ACE H2 1 1 2 519 1 1 1 ACE H3 H -2.180 -0.304 0.748 1.00 . A A . 0 ACE H3 1 1 2 520 1 1 1 ACE O O -0.980 -0.156 -1.410 1.00 . A A . 0 ACE O 1 1 2 521 1 1 2 LYS C C 2.256 -1.631 -1.973 1.00 . A A . 1 LYS C 1 1 2 522 1 1 2 LYS CA C 1.790 -0.258 -1.544 1.00 . A A . 1 LYS CA 1 1 2 523 1 1 2 LYS CB C 2.975 0.707 -1.264 1.00 . A A . 1 LYS CB 1 1 2 524 1 1 2 LYS CD C 4.713 2.178 -2.490 1.00 . A A . 1 LYS CD 1 1 2 525 1 1 2 LYS CE C 4.729 3.508 -1.686 1.00 . A A . 1 LYS CE 1 1 2 526 1 1 2 LYS CG C 3.337 1.470 -2.561 1.00 . A A . 1 LYS CG 1 1 2 527 1 1 2 LYS H H 1.477 -0.572 0.532 1.00 . A A . 1 LYS H 1 1 2 528 1 1 2 LYS HA H 1.182 0.199 -2.339 1.00 . A A . 1 LYS HA 1 1 2 529 1 1 2 LYS HB2 H 2.683 1.447 -0.506 1.00 . A A . 1 LYS HB2 1 1 2 530 1 1 2 LYS HB3 H 3.847 0.155 -0.885 1.00 . A A . 1 LYS HB3 1 1 2 531 1 1 2 LYS HD2 H 5.487 1.477 -2.144 1.00 . A A . 1 LYS HD2 1 1 2 532 1 1 2 LYS HD3 H 4.963 2.447 -3.524 1.00 . A A . 1 LYS HD3 1 1 2 533 1 1 2 LYS HE2 H 5.439 4.181 -2.198 1.00 . A A . 1 LYS HE2 1 1 2 534 1 1 2 LYS HE3 H 3.741 3.994 -1.714 1.00 . A A . 1 LYS HE3 1 1 2 535 1 1 2 LYS HG2 H 3.376 0.736 -3.378 1.00 . A A . 1 LYS HG2 1 1 2 536 1 1 2 LYS HG3 H 2.547 2.199 -2.801 1.00 . A A . 1 LYS HG3 1 1 2 537 1 1 2 LYS HZ1 H 5.589 4.322 0.056 1.00 . A A . 1 LYS HZ1 1 1 2 538 1 1 2 LYS HZ2 H 5.976 2.651 -0.158 1.00 . A A . 1 LYS HZ2 1 1 2 539 1 1 2 LYS HZ3 H 4.375 3.123 0.381 1.00 . A A . 1 LYS HZ3 1 1 2 540 1 1 2 LYS N N 0.997 -0.398 -0.329 1.00 . A A . 1 LYS N 1 1 2 541 1 1 2 LYS NZ N 5.185 3.377 -0.286 1.00 . A A . 1 LYS NZ 1 1 2 542 1 1 2 LYS O O 3.231 -2.124 -1.426 1.00 . A A . 1 LYS O 1 1 2 543 1 1 3 PHE C C 3.021 -3.561 -4.457 1.00 . A A . 2 PHE C 1 1 2 544 1 1 3 PHE CA C 1.995 -3.626 -3.352 1.00 . A A . 2 PHE CA 1 1 2 545 1 1 3 PHE CB C 0.730 -4.413 -3.781 1.00 . A A . 2 PHE CB 1 1 2 546 1 1 3 PHE CD1 C 1.097 -6.592 -2.544 1.00 . A A . 2 PHE CD1 1 1 2 547 1 1 3 PHE CD2 C 1.052 -6.658 -4.958 1.00 . A A . 2 PHE CD2 1 1 2 548 1 1 3 PHE CE1 C 1.290 -7.974 -2.506 1.00 . A A . 2 PHE CE1 1 1 2 549 1 1 3 PHE CE2 C 1.227 -8.043 -4.920 1.00 . A A . 2 PHE CE2 1 1 2 550 1 1 3 PHE CG C 0.971 -5.928 -3.768 1.00 . A A . 2 PHE CG 1 1 2 551 1 1 3 PHE CZ C 1.346 -8.703 -3.695 1.00 . A A . 2 PHE CZ 1 1 2 552 1 1 3 PHE H H 0.824 -1.860 -3.439 1.00 . A A . 2 PHE H 1 1 2 553 1 1 3 PHE HA H 2.444 -4.161 -2.502 1.00 . A A . 2 PHE HA 1 1 2 554 1 1 3 PHE HB2 H -0.072 -4.215 -3.054 1.00 . A A . 2 PHE HB2 1 1 2 555 1 1 3 PHE HB3 H 0.381 -4.066 -4.766 1.00 . A A . 2 PHE HB3 1 1 2 556 1 1 3 PHE HD1 H 1.043 -6.037 -1.614 1.00 . A A . 2 PHE HD1 1 1 2 557 1 1 3 PHE HD2 H 0.978 -6.156 -5.916 1.00 . A A . 2 PHE HD2 1 1 2 558 1 1 3 PHE HE1 H 1.395 -8.480 -1.553 1.00 . A A . 2 PHE HE1 1 1 2 559 1 1 3 PHE HE2 H 1.270 -8.608 -5.845 1.00 . A A . 2 PHE HE2 1 1 2 560 1 1 3 PHE HZ H 1.482 -9.778 -3.666 1.00 . A A . 2 PHE HZ 1 1 2 561 1 1 3 PHE N N 1.589 -2.281 -2.949 1.00 . A A . 2 PHE N 1 1 2 562 1 1 3 PHE O O 2.813 -4.169 -5.492 1.00 . A A . 2 PHE O 1 1 2 563 1 1 4 GLU C C 4.673 -1.846 -6.399 1.00 . A A . 3 GLU C 1 1 2 564 1 1 4 GLU CA C 5.173 -2.729 -5.273 1.00 . A A . 3 GLU CA 1 1 2 565 1 1 4 GLU CB C 5.633 -4.148 -5.728 1.00 . A A . 3 GLU CB 1 1 2 566 1 1 4 GLU CD C 7.267 -4.831 -7.609 1.00 . A A . 3 GLU CD 1 1 2 567 1 1 4 GLU CG C 7.105 -4.238 -6.227 1.00 . A A . 3 GLU CG 1 1 2 568 1 1 4 GLU H H 4.292 -2.375 -3.366 1.00 . A A . 3 GLU H 1 1 2 569 1 1 4 GLU HA H 6.031 -2.224 -4.802 1.00 . A A . 3 GLU HA 1 1 2 570 1 1 4 GLU HB2 H 5.550 -4.805 -4.847 1.00 . A A . 3 GLU HB2 1 1 2 571 1 1 4 GLU HB3 H 4.955 -4.547 -6.494 1.00 . A A . 3 GLU HB3 1 1 2 572 1 1 4 GLU HG2 H 7.599 -3.261 -6.202 1.00 . A A . 3 GLU HG2 1 1 2 573 1 1 4 GLU HG3 H 7.672 -4.873 -5.529 1.00 . A A . 3 GLU HG3 1 1 2 574 1 1 4 GLU N N 4.144 -2.839 -4.241 1.00 . A A . 3 GLU N 1 1 2 575 1 1 4 GLU O O 4.501 -2.305 -7.517 1.00 . A A . 3 GLU O 1 1 2 576 1 1 4 GLU OE1 O 6.356 -4.707 -8.474 1.00 . A A . 3 GLU OE1 1 1 2 577 1 1 4 GLU OE2 O 8.347 -5.432 -7.855 1.00 . A A . 3 GLU OE2 1 1 2 578 1 1 5 ASP C C 4.343 1.757 -6.888 1.00 . A A . 4 ASP C 1 1 2 579 1 1 5 ASP CA C 3.908 0.337 -7.171 1.00 . A A . 4 ASP CA 1 1 2 580 1 1 5 ASP CB C 2.364 0.264 -7.201 1.00 . A A . 4 ASP CB 1 1 2 581 1 1 5 ASP CG C 1.811 -1.129 -7.287 1.00 . A A . 4 ASP CG 1 1 2 582 1 1 5 ASP H H 4.587 -0.158 -5.222 1.00 . A A . 4 ASP H 1 1 2 583 1 1 5 ASP HA H 4.302 0.065 -8.160 1.00 . A A . 4 ASP HA 1 1 2 584 1 1 5 ASP HB2 H 1.967 0.741 -6.293 1.00 . A A . 4 ASP HB2 1 1 2 585 1 1 5 ASP HB3 H 1.998 0.805 -8.080 1.00 . A A . 4 ASP HB3 1 1 2 586 1 1 5 ASP N N 4.437 -0.543 -6.130 1.00 . A A . 4 ASP N 1 1 2 587 1 1 5 ASP O O 5.005 1.964 -5.885 1.00 . A A . 4 ASP O 1 1 2 588 1 1 5 ASP OD1 O 1.688 -1.775 -6.211 1.00 . A A . 4 ASP OD1 1 1 2 589 1 1 5 ASP OD2 O 1.462 -1.569 -8.416 1.00 . A A . 4 ASP OD2 1 1 2 590 1 1 6 TRP C C 3.273 5.038 -8.053 1.00 . A A . 5 TRP C 1 1 2 591 1 1 6 TRP CA C 4.320 4.136 -7.449 1.00 . A A . 5 TRP CA 1 1 2 592 1 1 6 TRP CB C 5.707 4.483 -8.028 1.00 . A A . 5 TRP CB 1 1 2 593 1 1 6 TRP CD1 C 6.215 2.867 -9.906 1.00 . A A . 5 TRP CD1 1 1 2 594 1 1 6 TRP CD2 C 5.397 4.846 -10.678 1.00 . A A . 5 TRP CD2 1 1 2 595 1 1 6 TRP CE2 C 5.733 4.000 -11.715 1.00 . A A . 5 TRP CE2 1 1 2 596 1 1 6 TRP CE3 C 4.865 6.117 -10.888 1.00 . A A . 5 TRP CE3 1 1 2 597 1 1 6 TRP CG C 5.778 4.052 -9.463 1.00 . A A . 5 TRP CG 1 1 2 598 1 1 6 TRP CH2 C 5.150 5.695 -13.268 1.00 . A A . 5 TRP CH2 1 1 2 599 1 1 6 TRP CZ2 C 5.619 4.396 -13.043 1.00 . A A . 5 TRP CZ2 1 1 2 600 1 1 6 TRP CZ3 C 4.730 6.515 -12.218 1.00 . A A . 5 TRP CZ3 1 1 2 601 1 1 6 TRP H H 3.530 2.541 -8.604 1.00 . A A . 5 TRP H 1 1 2 602 1 1 6 TRP HA H 4.324 4.317 -6.363 1.00 . A A . 5 TRP HA 1 1 2 603 1 1 6 TRP HB2 H 5.928 5.558 -7.958 1.00 . A A . 5 TRP HB2 1 1 2 604 1 1 6 TRP HB3 H 6.470 3.934 -7.455 1.00 . A A . 5 TRP HB3 1 1 2 605 1 1 6 TRP HD1 H 6.533 2.115 -9.199 1.00 . A A . 5 TRP HD1 1 1 2 606 1 1 6 TRP HE1 H 6.450 2.015 -11.786 1.00 . A A . 5 TRP HE1 1 1 2 607 1 1 6 TRP HE3 H 4.595 6.749 -10.059 1.00 . A A . 5 TRP HE3 1 1 2 608 1 1 6 TRP HH2 H 5.118 6.092 -14.267 1.00 . A A . 5 TRP HH2 1 1 2 609 1 1 6 TRP HZ2 H 5.885 3.746 -13.860 1.00 . A A . 5 TRP HZ2 1 1 2 610 1 1 6 TRP HZ3 H 4.308 7.473 -12.471 1.00 . A A . 5 TRP HZ3 1 1 2 611 1 1 6 TRP N N 3.994 2.744 -7.739 1.00 . A A . 5 TRP N 1 1 2 612 1 1 6 TRP NE1 N 6.175 2.829 -11.212 1.00 . A A . 5 TRP NE1 1 1 2 613 1 1 6 TRP O O 2.517 4.556 -8.882 1.00 . A A . 5 TRP O 1 1 2 614 1 1 7 LEU C C 2.838 8.273 -9.022 1.00 . A A . 6 LEU C 1 1 2 615 1 1 7 LEU CA C 2.212 7.257 -8.111 1.00 . A A . 6 LEU CA 1 1 2 616 1 1 7 LEU CB C 1.579 8.039 -6.934 1.00 . A A . 6 LEU CB 1 1 2 617 1 1 7 LEU CD1 C 0.406 7.399 -4.769 1.00 . A A . 6 LEU CD1 1 1 2 618 1 1 7 LEU CD2 C -0.960 7.845 -6.885 1.00 . A A . 6 LEU CD2 1 1 2 619 1 1 7 LEU CG C 0.369 7.286 -6.313 1.00 . A A . 6 LEU CG 1 1 2 620 1 1 7 LEU H H 3.917 6.678 -7.000 1.00 . A A . 6 LEU H 1 1 2 621 1 1 7 LEU HA H 1.417 6.741 -8.656 1.00 . A A . 6 LEU HA 1 1 2 622 1 1 7 LEU HB2 H 2.359 8.228 -6.182 1.00 . A A . 6 LEU HB2 1 1 2 623 1 1 7 LEU HB3 H 1.244 9.022 -7.300 1.00 . A A . 6 LEU HB3 1 1 2 624 1 1 7 LEU HD11 H -0.539 7.048 -4.330 1.00 . A A . 6 LEU HD11 1 1 2 625 1 1 7 LEU HD12 H 0.579 8.440 -4.460 1.00 . A A . 6 LEU HD12 1 1 2 626 1 1 7 LEU HD13 H 1.223 6.769 -4.384 1.00 . A A . 6 LEU HD13 1 1 2 627 1 1 7 LEU HD21 H -1.047 8.927 -6.699 1.00 . A A . 6 LEU HD21 1 1 2 628 1 1 7 LEU HD22 H -1.822 7.345 -6.420 1.00 . A A . 6 LEU HD22 1 1 2 629 1 1 7 LEU HD23 H -0.995 7.663 -7.970 1.00 . A A . 6 LEU HD23 1 1 2 630 1 1 7 LEU HG H 0.416 6.209 -6.550 1.00 . A A . 6 LEU HG 1 1 2 631 1 1 7 LEU N N 3.231 6.324 -7.635 1.00 . A A . 6 LEU N 1 1 2 632 1 1 7 LEU O O 3.893 8.789 -8.690 1.00 . A A . 6 LEU O 1 1 2 633 1 1 8 CYS C C 2.748 10.926 -10.576 1.00 . A A . 7 CYS C 1 1 2 634 1 1 8 CYS CA C 2.822 9.512 -11.090 1.00 . A A . 7 CYS CA 1 1 2 635 1 1 8 CYS CB C 2.113 9.399 -12.456 1.00 . A A . 7 CYS CB 1 1 2 636 1 1 8 CYS H H 1.334 8.147 -10.438 1.00 . A A . 7 CYS H 1 1 2 637 1 1 8 CYS HA H 3.885 9.262 -11.198 1.00 . A A . 7 CYS HA 1 1 2 638 1 1 8 CYS HB2 H 2.129 8.368 -12.836 1.00 . A A . 7 CYS HB2 1 1 2 639 1 1 8 CYS HB3 H 1.074 9.726 -12.358 1.00 . A A . 7 CYS HB3 1 1 2 640 1 1 8 CYS N N 2.208 8.567 -10.177 1.00 . A A . 7 CYS N 1 1 2 641 1 1 8 CYS O O 1.827 11.239 -9.841 1.00 . A A . 7 CYS O 1 1 2 642 1 1 8 CYS SG S 2.903 10.507 -13.642 1.00 . A A . 7 CYS SG 1 1 2 643 1 1 9 ASN C C 3.093 14.080 -11.599 1.00 . A A . 8 ASN C 1 1 2 644 1 1 9 ASN CA C 3.723 13.185 -10.548 1.00 . A A . 8 ASN CA 1 1 2 645 1 1 9 ASN CB C 5.194 13.596 -10.233 1.00 . A A . 8 ASN CB 1 1 2 646 1 1 9 ASN CG C 5.370 14.015 -8.794 1.00 . A A . 8 ASN CG 1 1 2 647 1 1 9 ASN H H 4.406 11.497 -11.641 1.00 . A A . 8 ASN H 1 1 2 648 1 1 9 ASN HA H 3.116 13.294 -9.637 1.00 . A A . 8 ASN HA 1 1 2 649 1 1 9 ASN HB2 H 5.872 12.759 -10.450 1.00 . A A . 8 ASN HB2 1 1 2 650 1 1 9 ASN HB3 H 5.529 14.434 -10.862 1.00 . A A . 8 ASN HB3 1 1 2 651 1 1 9 ASN HD21 H 7.069 12.886 -8.480 1.00 . A A . 8 ASN HD21 1 1 2 652 1 1 9 ASN HD22 H 6.508 13.806 -7.132 1.00 . A A . 8 ASN HD22 1 1 2 653 1 1 9 ASN N N 3.711 11.789 -10.983 1.00 . A A . 8 ASN N 1 1 2 654 1 1 9 ASN ND2 N 6.405 13.522 -8.084 1.00 . A A . 8 ASN ND2 1 1 2 655 1 1 9 ASN O O 3.448 15.242 -11.706 1.00 . A A . 8 ASN O 1 1 2 656 1 1 9 ASN OD1 O 4.579 14.800 -8.298 1.00 . A A . 8 ASN OD1 1 1 2 657 1 1 10 LYS C C 0.037 14.016 -13.496 1.00 . A A . 9 LYS C 1 1 2 658 1 1 10 LYS CA C 1.522 14.312 -13.472 1.00 . A A . 9 LYS CA 1 1 2 659 1 1 10 LYS CB C 2.167 13.915 -14.829 1.00 . A A . 9 LYS CB 1 1 2 660 1 1 10 LYS CD C 3.791 15.875 -15.300 1.00 . A A . 9 LYS CD 1 1 2 661 1 1 10 LYS CE C 4.592 16.307 -16.558 1.00 . A A . 9 LYS CE 1 1 2 662 1 1 10 LYS CG C 2.496 15.130 -15.728 1.00 . A A . 9 LYS CG 1 1 2 663 1 1 10 LYS H H 1.872 12.603 -12.272 1.00 . A A . 9 LYS H 1 1 2 664 1 1 10 LYS HA H 1.643 15.390 -13.297 1.00 . A A . 9 LYS HA 1 1 2 665 1 1 10 LYS HB2 H 3.079 13.322 -14.663 1.00 . A A . 9 LYS HB2 1 1 2 666 1 1 10 LYS HB3 H 1.469 13.291 -15.405 1.00 . A A . 9 LYS HB3 1 1 2 667 1 1 10 LYS HD2 H 3.497 16.749 -14.697 1.00 . A A . 9 LYS HD2 1 1 2 668 1 1 10 LYS HD3 H 4.451 15.242 -14.684 1.00 . A A . 9 LYS HD3 1 1 2 669 1 1 10 LYS HE2 H 5.075 15.411 -16.985 1.00 . A A . 9 LYS HE2 1 1 2 670 1 1 10 LYS HE3 H 3.886 16.700 -17.308 1.00 . A A . 9 LYS HE3 1 1 2 671 1 1 10 LYS HG2 H 2.617 14.733 -16.748 1.00 . A A . 9 LYS HG2 1 1 2 672 1 1 10 LYS HG3 H 1.645 15.831 -15.741 1.00 . A A . 9 LYS HG3 1 1 2 673 1 1 10 LYS HZ1 H 5.572 18.124 -17.033 1.00 . A A . 9 LYS HZ1 1 1 2 674 1 1 10 LYS HZ2 H 6.619 16.936 -16.317 1.00 . A A . 9 LYS HZ2 1 1 2 675 1 1 10 LYS HZ3 H 5.505 17.826 -15.328 1.00 . A A . 9 LYS HZ3 1 1 2 676 1 1 10 LYS N N 2.138 13.549 -12.391 1.00 . A A . 9 LYS N 1 1 2 677 1 1 10 LYS NZ N 5.617 17.342 -16.287 1.00 . A A . 9 LYS NZ 1 1 2 678 1 1 10 LYS O O -0.752 14.933 -13.341 1.00 . A A . 9 LYS O 1 1 2 679 1 1 11 CYS C C -2.117 11.717 -12.300 1.00 . A A . 10 CYS C 1 1 2 680 1 1 11 CYS CA C -1.766 12.360 -13.621 1.00 . A A . 10 CYS CA 1 1 2 681 1 1 11 CYS CB C -2.096 11.370 -14.760 1.00 . A A . 10 CYS CB 1 1 2 682 1 1 11 CYS H H 0.316 12.017 -13.825 1.00 . A A . 10 CYS H 1 1 2 683 1 1 11 CYS HA H -2.423 13.229 -13.770 1.00 . A A . 10 CYS HA 1 1 2 684 1 1 11 CYS HB2 H -3.141 11.025 -14.712 1.00 . A A . 10 CYS HB2 1 1 2 685 1 1 11 CYS HB3 H -1.928 11.857 -15.728 1.00 . A A . 10 CYS HB3 1 1 2 686 1 1 11 CYS N N -0.356 12.736 -13.682 1.00 . A A . 10 CYS N 1 1 2 687 1 1 11 CYS O O -3.275 11.378 -12.121 1.00 . A A . 10 CYS O 1 1 2 688 1 1 11 CYS SG S -0.998 9.944 -14.593 1.00 . A A . 10 CYS SG 1 1 2 689 1 1 12 CYS C C -2.040 9.563 -10.172 1.00 . A A . 11 CYS C 1 1 2 690 1 1 12 CYS CA C -1.524 10.976 -10.055 1.00 . A A . 11 CYS CA 1 1 2 691 1 1 12 CYS CB C -2.523 11.907 -9.324 1.00 . A A . 11 CYS CB 1 1 2 692 1 1 12 CYS H H -0.214 11.789 -11.477 1.00 . A A . 11 CYS H 1 1 2 693 1 1 12 CYS HA H -0.623 10.926 -9.424 1.00 . A A . 11 CYS HA 1 1 2 694 1 1 12 CYS HB2 H -3.540 11.809 -9.731 1.00 . A A . 11 CYS HB2 1 1 2 695 1 1 12 CYS HB3 H -2.553 11.655 -8.254 1.00 . A A . 11 CYS HB3 1 1 2 696 1 1 12 CYS HG H -2.122 13.750 -10.492 1.00 . A A . 11 CYS HG 1 1 2 697 1 1 12 CYS N N -1.169 11.536 -11.352 1.00 . A A . 11 CYS N 1 1 2 698 1 1 12 CYS O O -2.743 9.124 -9.277 1.00 . A A . 11 CYS O 1 1 2 699 1 1 12 CYS SG S -1.974 13.640 -9.500 1.00 . A A . 11 CYS SG 1 1 2 700 1 1 13 LEU C C -1.174 6.509 -10.964 1.00 . A A . 12 LEU C 1 1 2 701 1 1 13 LEU CA C -2.201 7.498 -11.465 1.00 . A A . 12 LEU CA 1 1 2 702 1 1 13 LEU CB C -2.512 7.263 -12.970 1.00 . A A . 12 LEU CB 1 1 2 703 1 1 13 LEU CD1 C -4.628 6.173 -14.000 1.00 . A A . 12 LEU CD1 1 1 2 704 1 1 13 LEU CD2 C -2.474 4.792 -13.820 1.00 . A A . 12 LEU CD2 1 1 2 705 1 1 13 LEU CG C -3.317 5.943 -13.202 1.00 . A A . 12 LEU CG 1 1 2 706 1 1 13 LEU H H -1.101 9.207 -11.968 1.00 . A A . 12 LEU H 1 1 2 707 1 1 13 LEU HA H -3.152 7.415 -10.921 1.00 . A A . 12 LEU HA 1 1 2 708 1 1 13 LEU HB2 H -3.101 8.138 -13.275 1.00 . A A . 12 LEU HB2 1 1 2 709 1 1 13 LEU HB3 H -1.576 7.278 -13.549 1.00 . A A . 12 LEU HB3 1 1 2 710 1 1 13 LEU HD11 H -5.135 7.089 -13.662 1.00 . A A . 12 LEU HD11 1 1 2 711 1 1 13 LEU HD12 H -5.313 5.329 -13.842 1.00 . A A . 12 LEU HD12 1 1 2 712 1 1 13 LEU HD13 H -4.434 6.250 -15.075 1.00 . A A . 12 LEU HD13 1 1 2 713 1 1 13 LEU HD21 H -1.405 4.947 -13.641 1.00 . A A . 12 LEU HD21 1 1 2 714 1 1 13 LEU HD22 H -2.619 4.685 -14.901 1.00 . A A . 12 LEU HD22 1 1 2 715 1 1 13 LEU HD23 H -2.768 3.834 -13.366 1.00 . A A . 12 LEU HD23 1 1 2 716 1 1 13 LEU HG H -3.659 5.581 -12.223 1.00 . A A . 12 LEU HG 1 1 2 717 1 1 13 LEU N N -1.699 8.846 -11.264 1.00 . A A . 12 LEU N 1 1 2 718 1 1 13 LEU O O 0.008 6.695 -11.211 1.00 . A A . 12 LEU O 1 1 2 719 1 1 14 ASN C C -0.126 3.602 -10.840 1.00 . A A . 13 ASN C 1 1 2 720 1 1 14 ASN CA C -0.700 4.454 -9.734 1.00 . A A . 13 ASN CA 1 1 2 721 1 1 14 ASN CB C -1.411 3.567 -8.683 1.00 . A A . 13 ASN CB 1 1 2 722 1 1 14 ASN CG C -0.682 2.271 -8.477 1.00 . A A . 13 ASN CG 1 1 2 723 1 1 14 ASN H H -2.596 5.356 -10.048 1.00 . A A . 13 ASN H 1 1 2 724 1 1 14 ASN HA H 0.116 4.964 -9.218 1.00 . A A . 13 ASN HA 1 1 2 725 1 1 14 ASN HB2 H -1.471 4.123 -7.733 1.00 . A A . 13 ASN HB2 1 1 2 726 1 1 14 ASN HB3 H -2.434 3.317 -8.997 1.00 . A A . 13 ASN HB3 1 1 2 727 1 1 14 ASN HD21 H -1.588 1.323 -10.063 1.00 . A A . 13 ASN HD21 1 1 2 728 1 1 14 ASN HD22 H -0.449 0.372 -9.175 1.00 . A A . 13 ASN HD22 1 1 2 729 1 1 14 ASN N N -1.623 5.460 -10.245 1.00 . A A . 13 ASN N 1 1 2 730 1 1 14 ASN ND2 N -0.929 1.240 -9.313 1.00 . A A . 13 ASN ND2 1 1 2 731 1 1 14 ASN O O -0.824 3.384 -11.814 1.00 . A A . 13 ASN O 1 1 2 732 1 1 14 ASN OD1 O 0.106 2.199 -7.551 1.00 . A A . 13 ASN OD1 1 1 2 733 1 1 15 ASN C C 2.603 1.197 -11.156 1.00 . A A . 14 ASN C 1 1 2 734 1 1 15 ASN CA C 1.686 2.237 -11.745 1.00 . A A . 14 ASN CA 1 1 2 735 1 1 15 ASN CB C 2.558 3.029 -12.737 1.00 . A A . 14 ASN CB 1 1 2 736 1 1 15 ASN CG C 1.664 3.827 -13.638 1.00 . A A . 14 ASN CG 1 1 2 737 1 1 15 ASN H H 1.690 3.305 -9.912 1.00 . A A . 14 ASN H 1 1 2 738 1 1 15 ASN HA H 0.876 1.727 -12.289 1.00 . A A . 14 ASN HA 1 1 2 739 1 1 15 ASN HB2 H 3.208 3.676 -12.138 1.00 . A A . 14 ASN HB2 1 1 2 740 1 1 15 ASN HB3 H 3.183 2.361 -13.349 1.00 . A A . 14 ASN HB3 1 1 2 741 1 1 15 ASN HD21 H 1.954 5.603 -12.620 1.00 . A A . 14 ASN HD21 1 1 2 742 1 1 15 ASN HD22 H 0.807 5.616 -13.899 1.00 . A A . 14 ASN HD22 1 1 2 743 1 1 15 ASN N N 1.121 3.095 -10.708 1.00 . A A . 14 ASN N 1 1 2 744 1 1 15 ASN ND2 N 1.475 5.125 -13.355 1.00 . A A . 14 ASN ND2 1 1 2 745 1 1 15 ASN O O 3.202 1.448 -10.122 1.00 . A A . 14 ASN O 1 1 2 746 1 1 15 ASN OD1 O 1.127 3.282 -14.589 1.00 . A A . 14 ASN OD1 1 1 2 747 1 1 16 PHE C C 4.915 -0.660 -11.031 1.00 . A A . 15 PHE C 1 1 2 748 1 1 16 PHE CA C 3.483 -1.076 -11.294 1.00 . A A . 15 PHE CA 1 1 2 749 1 1 16 PHE CB C 3.465 -2.326 -12.227 1.00 . A A . 15 PHE CB 1 1 2 750 1 1 16 PHE CD1 C 1.678 -3.894 -11.326 1.00 . A A . 15 PHE CD1 1 1 2 751 1 1 16 PHE CD2 C 3.979 -4.496 -10.972 1.00 . A A . 15 PHE CD2 1 1 2 752 1 1 16 PHE CE1 C 1.279 -5.082 -10.709 1.00 . A A . 15 PHE CE1 1 1 2 753 1 1 16 PHE CE2 C 3.587 -5.677 -10.345 1.00 . A A . 15 PHE CE2 1 1 2 754 1 1 16 PHE CG C 3.036 -3.601 -11.486 1.00 . A A . 15 PHE CG 1 1 2 755 1 1 16 PHE CZ C 2.231 -5.978 -10.220 1.00 . A A . 15 PHE CZ 1 1 2 756 1 1 16 PHE H H 2.213 -0.086 -12.694 1.00 . A A . 15 PHE H 1 1 2 757 1 1 16 PHE HA H 3.004 -1.351 -10.345 1.00 . A A . 15 PHE HA 1 1 2 758 1 1 16 PHE HB2 H 2.751 -2.220 -13.057 1.00 . A A . 15 PHE HB2 1 1 2 759 1 1 16 PHE HB3 H 4.452 -2.465 -12.692 1.00 . A A . 15 PHE HB3 1 1 2 760 1 1 16 PHE HD1 H 0.924 -3.200 -11.681 1.00 . A A . 15 PHE HD1 1 1 2 761 1 1 16 PHE HD2 H 5.032 -4.299 -11.049 1.00 . A A . 15 PHE HD2 1 1 2 762 1 1 16 PHE HE1 H 0.224 -5.310 -10.606 1.00 . A A . 15 PHE HE1 1 1 2 763 1 1 16 PHE HE2 H 4.341 -6.354 -9.954 1.00 . A A . 15 PHE HE2 1 1 2 764 1 1 16 PHE HZ H 1.924 -6.902 -9.744 1.00 . A A . 15 PHE HZ 1 1 2 765 1 1 16 PHE N N 2.709 0.035 -11.836 1.00 . A A . 15 PHE N 1 1 2 766 1 1 16 PHE O O 5.439 0.183 -11.744 1.00 . A A . 15 PHE O 1 1 2 767 1 1 17 ARG C C 7.914 -1.397 -10.904 1.00 . A A . 16 ARG C 1 1 2 768 1 1 17 ARG CA C 7.003 -0.946 -9.797 1.00 . A A . 16 ARG CA 1 1 2 769 1 1 17 ARG CB C 7.561 -1.512 -8.467 1.00 . A A . 16 ARG CB 1 1 2 770 1 1 17 ARG CD C 8.650 0.626 -7.558 1.00 . A A . 16 ARG CD 1 1 2 771 1 1 17 ARG CG C 7.563 -0.456 -7.340 1.00 . A A . 16 ARG CG 1 1 2 772 1 1 17 ARG CZ C 10.728 1.406 -6.559 1.00 . A A . 16 ARG CZ 1 1 2 773 1 1 17 ARG H H 5.122 -1.946 -9.457 1.00 . A A . 16 ARG H 1 1 2 774 1 1 17 ARG HA H 7.116 0.134 -9.832 1.00 . A A . 16 ARG HA 1 1 2 775 1 1 17 ARG HB2 H 6.908 -2.331 -8.174 1.00 . A A . 16 ARG HB2 1 1 2 776 1 1 17 ARG HB3 H 8.578 -1.921 -8.581 1.00 . A A . 16 ARG HB3 1 1 2 777 1 1 17 ARG HD2 H 8.991 0.649 -8.605 1.00 . A A . 16 ARG HD2 1 1 2 778 1 1 17 ARG HD3 H 8.143 1.570 -7.306 1.00 . A A . 16 ARG HD3 1 1 2 779 1 1 17 ARG HE H 9.937 -0.427 -6.205 1.00 . A A . 16 ARG HE 1 1 2 780 1 1 17 ARG HG2 H 6.578 0.024 -7.350 1.00 . A A . 16 ARG HG2 1 1 2 781 1 1 17 ARG HG3 H 7.687 -0.916 -6.350 1.00 . A A . 16 ARG HG3 1 1 2 782 1 1 17 ARG HH11 H 9.936 2.737 -7.879 1.00 . A A . 16 ARG HH11 1 1 2 783 1 1 17 ARG HH12 H 11.395 3.263 -7.057 1.00 . A A . 16 ARG HH12 1 1 2 784 1 1 17 ARG HH21 H 11.811 0.335 -5.202 1.00 . A A . 16 ARG HH21 1 1 2 785 1 1 17 ARG HH22 H 12.443 1.935 -5.586 1.00 . A A . 16 ARG HH22 1 1 2 786 1 1 17 ARG N N 5.588 -1.258 -10.026 1.00 . A A . 16 ARG N 1 1 2 787 1 1 17 ARG NE N 9.829 0.463 -6.713 1.00 . A A . 16 ARG NE 1 1 2 788 1 1 17 ARG NH1 N 10.676 2.543 -7.202 1.00 . A A . 16 ARG NH1 1 1 2 789 1 1 17 ARG NH2 N 11.723 1.213 -5.732 1.00 . A A . 16 ARG NH2 1 1 2 790 1 1 17 ARG O O 8.978 -0.830 -11.092 1.00 . A A . 16 ARG O 1 1 2 791 1 1 18 LYS C C 8.126 -1.900 -13.918 1.00 . A A . 17 LYS C 1 1 2 792 1 1 18 LYS CA C 8.255 -2.889 -12.783 1.00 . A A . 17 LYS CA 1 1 2 793 1 1 18 LYS CB C 7.706 -4.275 -13.227 1.00 . A A . 17 LYS CB 1 1 2 794 1 1 18 LYS CD C 8.274 -6.664 -13.903 1.00 . A A . 17 LYS CD 1 1 2 795 1 1 18 LYS CE C 8.237 -6.721 -15.449 1.00 . A A . 17 LYS CE 1 1 2 796 1 1 18 LYS CG C 8.841 -5.309 -13.409 1.00 . A A . 17 LYS CG 1 1 2 797 1 1 18 LYS H H 6.590 -2.800 -11.470 1.00 . A A . 17 LYS H 1 1 2 798 1 1 18 LYS HA H 9.312 -2.969 -12.484 1.00 . A A . 17 LYS HA 1 1 2 799 1 1 18 LYS HB2 H 7.064 -4.720 -12.451 1.00 . A A . 17 LYS HB2 1 1 2 800 1 1 18 LYS HB3 H 7.102 -4.165 -14.140 1.00 . A A . 17 LYS HB3 1 1 2 801 1 1 18 LYS HD2 H 8.925 -7.475 -13.541 1.00 . A A . 17 LYS HD2 1 1 2 802 1 1 18 LYS HD3 H 7.263 -6.837 -13.501 1.00 . A A . 17 LYS HD3 1 1 2 803 1 1 18 LYS HE2 H 7.700 -5.849 -15.854 1.00 . A A . 17 LYS HE2 1 1 2 804 1 1 18 LYS HE3 H 9.273 -6.700 -15.824 1.00 . A A . 17 LYS HE3 1 1 2 805 1 1 18 LYS HG2 H 9.601 -4.924 -14.107 1.00 . A A . 17 LYS HG2 1 1 2 806 1 1 18 LYS HG3 H 9.314 -5.462 -12.426 1.00 . A A . 17 LYS HG3 1 1 2 807 1 1 18 LYS HZ1 H 7.705 -8.067 -16.983 1.00 . A A . 17 LYS HZ1 1 1 2 808 1 1 18 LYS HZ2 H 6.516 -7.929 -15.706 1.00 . A A . 17 LYS HZ2 1 1 2 809 1 1 18 LYS HZ3 H 7.994 -8.831 -15.439 1.00 . A A . 17 LYS HZ3 1 1 2 810 1 1 18 LYS N N 7.481 -2.418 -11.652 1.00 . A A . 17 LYS N 1 1 2 811 1 1 18 LYS NZ N 7.577 -7.956 -15.916 1.00 . A A . 17 LYS NZ 1 1 2 812 1 1 18 LYS O O 8.868 -2.029 -14.879 1.00 . A A . 17 LYS O 1 1 2 813 1 1 19 ARG C C 8.085 1.031 -14.961 1.00 . A A . 18 ARG C 1 1 2 814 1 1 19 ARG CA C 7.000 -0.025 -14.974 1.00 . A A . 18 ARG CA 1 1 2 815 1 1 19 ARG CB C 5.569 0.600 -15.022 1.00 . A A . 18 ARG CB 1 1 2 816 1 1 19 ARG CD C 5.345 0.955 -17.586 1.00 . A A . 18 ARG CD 1 1 2 817 1 1 19 ARG CG C 4.766 0.286 -16.313 1.00 . A A . 18 ARG CG 1 1 2 818 1 1 19 ARG CZ C 5.223 -0.754 -19.342 1.00 . A A . 18 ARG CZ 1 1 2 819 1 1 19 ARG H H 6.624 -0.761 -13.046 1.00 . A A . 18 ARG H 1 1 2 820 1 1 19 ARG HA H 7.105 -0.656 -15.859 1.00 . A A . 18 ARG HA 1 1 2 821 1 1 19 ARG HB2 H 4.942 0.213 -14.206 1.00 . A A . 18 ARG HB2 1 1 2 822 1 1 19 ARG HB3 H 5.631 1.685 -14.894 1.00 . A A . 18 ARG HB3 1 1 2 823 1 1 19 ARG HD2 H 5.035 2.008 -17.581 1.00 . A A . 18 ARG HD2 1 1 2 824 1 1 19 ARG HD3 H 6.437 0.962 -17.619 1.00 . A A . 18 ARG HD3 1 1 2 825 1 1 19 ARG HE H 4.075 0.921 -19.293 1.00 . A A . 18 ARG HE 1 1 2 826 1 1 19 ARG HG2 H 4.705 -0.805 -16.436 1.00 . A A . 18 ARG HG2 1 1 2 827 1 1 19 ARG HG3 H 3.738 0.664 -16.180 1.00 . A A . 18 ARG HG3 1 1 2 828 1 1 19 ARG HH11 H 6.594 -1.278 -17.931 1.00 . A A . 18 ARG HH11 1 1 2 829 1 1 19 ARG HH12 H 6.433 -2.398 -19.258 1.00 . A A . 18 ARG HH12 1 1 2 830 1 1 19 ARG HH21 H 4.001 -0.569 -20.963 1.00 . A A . 18 ARG HH21 1 1 2 831 1 1 19 ARG HH22 H 4.983 -2.028 -20.918 1.00 . A A . 18 ARG HH22 1 1 2 832 1 1 19 ARG N N 7.190 -0.922 -13.850 1.00 . A A . 18 ARG N 1 1 2 833 1 1 19 ARG NE N 4.807 0.374 -18.813 1.00 . A A . 18 ARG NE 1 1 2 834 1 1 19 ARG NH1 N 6.139 -1.521 -18.808 1.00 . A A . 18 ARG NH1 1 1 2 835 1 1 19 ARG NH2 N 4.700 -1.143 -20.476 1.00 . A A . 18 ARG NH2 1 1 2 836 1 1 19 ARG O O 8.289 1.646 -13.926 1.00 . A A . 18 ARG O 1 1 2 837 1 1 20 LEU C C 9.052 3.652 -16.599 1.00 . A A . 19 LEU C 1 1 2 838 1 1 20 LEU CA C 9.731 2.361 -16.215 1.00 . A A . 19 LEU CA 1 1 2 839 1 1 20 LEU CB C 10.811 2.006 -17.282 1.00 . A A . 19 LEU CB 1 1 2 840 1 1 20 LEU CD1 C 12.134 -0.202 -17.493 1.00 . A A . 19 LEU CD1 1 1 2 841 1 1 20 LEU CD2 C 13.282 1.890 -16.599 1.00 . A A . 19 LEU CD2 1 1 2 842 1 1 20 LEU CG C 11.940 1.109 -16.690 1.00 . A A . 19 LEU CG 1 1 2 843 1 1 20 LEU H H 8.609 0.716 -16.921 1.00 . A A . 19 LEU H 1 1 2 844 1 1 20 LEU HA H 10.218 2.575 -15.250 1.00 . A A . 19 LEU HA 1 1 2 845 1 1 20 LEU HB2 H 10.339 1.528 -18.154 1.00 . A A . 19 LEU HB2 1 1 2 846 1 1 20 LEU HB3 H 11.266 2.924 -17.678 1.00 . A A . 19 LEU HB3 1 1 2 847 1 1 20 LEU HD11 H 11.167 -0.679 -17.708 1.00 . A A . 19 LEU HD11 1 1 2 848 1 1 20 LEU HD12 H 12.733 -0.907 -16.894 1.00 . A A . 19 LEU HD12 1 1 2 849 1 1 20 LEU HD13 H 12.661 -0.001 -18.438 1.00 . A A . 19 LEU HD13 1 1 2 850 1 1 20 LEU HD21 H 13.493 2.460 -17.518 1.00 . A A . 19 LEU HD21 1 1 2 851 1 1 20 LEU HD22 H 14.119 1.193 -16.444 1.00 . A A . 19 LEU HD22 1 1 2 852 1 1 20 LEU HD23 H 13.244 2.590 -15.750 1.00 . A A . 19 LEU HD23 1 1 2 853 1 1 20 LEU HG H 11.661 0.783 -15.675 1.00 . A A . 19 LEU HG 1 1 2 854 1 1 20 LEU N N 8.771 1.262 -16.104 1.00 . A A . 19 LEU N 1 1 2 855 1 1 20 LEU O O 9.757 4.576 -16.961 1.00 . A A . 19 LEU O 1 1 2 856 1 1 21 LYS C C 5.646 5.009 -16.652 1.00 . A A . 20 LYS C 1 1 2 857 1 1 21 LYS CA C 7.118 5.055 -16.933 1.00 . A A . 20 LYS CA 1 1 2 858 1 1 21 LYS CB C 7.349 5.386 -18.430 1.00 . A A . 20 LYS CB 1 1 2 859 1 1 21 LYS CD C 7.454 4.376 -20.747 1.00 . A A . 20 LYS CD 1 1 2 860 1 1 21 LYS CE C 6.894 3.284 -21.693 1.00 . A A . 20 LYS CE 1 1 2 861 1 1 21 LYS CG C 6.894 4.205 -19.316 1.00 . A A . 20 LYS CG 1 1 2 862 1 1 21 LYS H H 7.099 3.080 -16.211 1.00 . A A . 20 LYS H 1 1 2 863 1 1 21 LYS HA H 7.540 5.818 -16.271 1.00 . A A . 20 LYS HA 1 1 2 864 1 1 21 LYS HB2 H 6.789 6.279 -18.738 1.00 . A A . 20 LYS HB2 1 1 2 865 1 1 21 LYS HB3 H 8.408 5.609 -18.611 1.00 . A A . 20 LYS HB3 1 1 2 866 1 1 21 LYS HD2 H 7.205 5.375 -21.140 1.00 . A A . 20 LYS HD2 1 1 2 867 1 1 21 LYS HD3 H 8.550 4.294 -20.683 1.00 . A A . 20 LYS HD3 1 1 2 868 1 1 21 LYS HE2 H 6.528 2.421 -21.115 1.00 . A A . 20 LYS HE2 1 1 2 869 1 1 21 LYS HE3 H 6.044 3.702 -22.259 1.00 . A A . 20 LYS HE3 1 1 2 870 1 1 21 LYS HG2 H 7.285 3.256 -18.917 1.00 . A A . 20 LYS HG2 1 1 2 871 1 1 21 LYS HG3 H 5.793 4.156 -19.333 1.00 . A A . 20 LYS HG3 1 1 2 872 1 1 21 LYS HZ1 H 7.521 2.058 -23.293 1.00 . A A . 20 LYS HZ1 1 1 2 873 1 1 21 LYS HZ2 H 8.747 2.330 -22.085 1.00 . A A . 20 LYS HZ2 1 1 2 874 1 1 21 LYS HZ3 H 8.334 3.610 -23.215 1.00 . A A . 20 LYS HZ3 1 1 2 875 1 1 21 LYS N N 7.714 3.789 -16.539 1.00 . A A . 20 LYS N 1 1 2 876 1 1 21 LYS NZ N 7.933 2.799 -22.623 1.00 . A A . 20 LYS NZ 1 1 2 877 1 1 21 LYS O O 5.151 3.962 -16.272 1.00 . A A . 20 LYS O 1 1 2 878 1 1 22 CYS C C 2.727 5.568 -17.647 1.00 . A A . 21 CYS C 1 1 2 879 1 1 22 CYS CA C 3.527 6.128 -16.497 1.00 . A A . 21 CYS CA 1 1 2 880 1 1 22 CYS CB C 3.140 7.577 -16.153 1.00 . A A . 21 CYS CB 1 1 2 881 1 1 22 CYS H H 5.350 7.003 -17.105 1.00 . A A . 21 CYS H 1 1 2 882 1 1 22 CYS HA H 3.343 5.520 -15.600 1.00 . A A . 21 CYS HA 1 1 2 883 1 1 22 CYS HB2 H 3.783 7.990 -15.361 1.00 . A A . 21 CYS HB2 1 1 2 884 1 1 22 CYS HB3 H 3.155 8.241 -17.028 1.00 . A A . 21 CYS HB3 1 1 2 885 1 1 22 CYS N N 4.938 6.138 -16.810 1.00 . A A . 21 CYS N 1 1 2 886 1 1 22 CYS O O 2.946 5.996 -18.767 1.00 . A A . 21 CYS O 1 1 2 887 1 1 22 CYS SG S 1.483 7.439 -15.500 1.00 . A A . 21 CYS SG 1 1 2 888 1 1 23 PHE C C -0.285 4.886 -18.704 1.00 . A A . 22 PHE C 1 1 2 889 1 1 23 PHE CA C 0.979 4.075 -18.482 1.00 . A A . 22 PHE CA 1 1 2 890 1 1 23 PHE CB C 0.610 2.601 -18.157 1.00 . A A . 22 PHE CB 1 1 2 891 1 1 23 PHE CD1 C 0.404 1.999 -20.647 1.00 . A A . 22 PHE CD1 1 1 2 892 1 1 23 PHE CD2 C 1.324 0.374 -19.127 1.00 . A A . 22 PHE CD2 1 1 2 893 1 1 23 PHE CE1 C 0.589 1.115 -21.711 1.00 . A A . 22 PHE CE1 1 1 2 894 1 1 23 PHE CE2 C 1.478 -0.525 -20.183 1.00 . A A . 22 PHE CE2 1 1 2 895 1 1 23 PHE CG C 0.779 1.643 -19.347 1.00 . A A . 22 PHE CG 1 1 2 896 1 1 23 PHE CZ C 1.131 -0.148 -21.480 1.00 . A A . 22 PHE CZ 1 1 2 897 1 1 23 PHE H H 1.575 4.343 -16.455 1.00 . A A . 22 PHE H 1 1 2 898 1 1 23 PHE HA H 1.581 4.083 -19.403 1.00 . A A . 22 PHE HA 1 1 2 899 1 1 23 PHE HB2 H 1.279 2.243 -17.361 1.00 . A A . 22 PHE HB2 1 1 2 900 1 1 23 PHE HB3 H -0.421 2.535 -17.776 1.00 . A A . 22 PHE HB3 1 1 2 901 1 1 23 PHE HD1 H -0.036 2.963 -20.866 1.00 . A A . 22 PHE HD1 1 1 2 902 1 1 23 PHE HD2 H 1.633 0.068 -18.132 1.00 . A A . 22 PHE HD2 1 1 2 903 1 1 23 PHE HE1 H 0.304 1.414 -22.714 1.00 . A A . 22 PHE HE1 1 1 2 904 1 1 23 PHE HE2 H 1.868 -1.519 -19.991 1.00 . A A . 22 PHE HE2 1 1 2 905 1 1 23 PHE HZ H 1.280 -0.833 -22.308 1.00 . A A . 22 PHE HZ 1 1 2 906 1 1 23 PHE N N 1.786 4.626 -17.394 1.00 . A A . 22 PHE N 1 1 2 907 1 1 23 PHE O O -1.169 4.443 -19.417 1.00 . A A . 22 PHE O 1 1 2 908 1 1 24 ARG C C -1.200 8.197 -18.939 1.00 . A A . 23 ARG C 1 1 2 909 1 1 24 ARG CA C -1.572 6.925 -18.230 1.00 . A A . 23 ARG CA 1 1 2 910 1 1 24 ARG CB C -2.136 7.212 -16.815 1.00 . A A . 23 ARG CB 1 1 2 911 1 1 24 ARG CD C -4.405 8.195 -17.603 1.00 . A A . 23 ARG CD 1 1 2 912 1 1 24 ARG CG C -3.129 8.399 -16.737 1.00 . A A . 23 ARG CG 1 1 2 913 1 1 24 ARG CZ C -6.827 7.946 -17.414 1.00 . A A . 23 ARG CZ 1 1 2 914 1 1 24 ARG H H 0.327 6.415 -17.512 1.00 . A A . 23 ARG H 1 1 2 915 1 1 24 ARG HA H -2.337 6.420 -18.834 1.00 . A A . 23 ARG HA 1 1 2 916 1 1 24 ARG HB2 H -2.621 6.287 -16.501 1.00 . A A . 23 ARG HB2 1 1 2 917 1 1 24 ARG HB3 H -1.320 7.424 -16.109 1.00 . A A . 23 ARG HB3 1 1 2 918 1 1 24 ARG HD2 H -4.450 9.036 -18.312 1.00 . A A . 23 ARG HD2 1 1 2 919 1 1 24 ARG HD3 H -4.332 7.252 -18.159 1.00 . A A . 23 ARG HD3 1 1 2 920 1 1 24 ARG HE H -5.603 8.184 -15.827 1.00 . A A . 23 ARG HE 1 1 2 921 1 1 24 ARG HG2 H -3.387 8.536 -15.678 1.00 . A A . 23 ARG HG2 1 1 2 922 1 1 24 ARG HG3 H -2.613 9.320 -17.050 1.00 . A A . 23 ARG HG3 1 1 2 923 1 1 24 ARG HH11 H -6.213 7.991 -19.366 1.00 . A A . 23 ARG HH11 1 1 2 924 1 1 24 ARG HH12 H -7.936 7.775 -19.117 1.00 . A A . 23 ARG HH12 1 1 2 925 1 1 24 ARG HH21 H -7.793 7.829 -15.616 1.00 . A A . 23 ARG HH21 1 1 2 926 1 1 24 ARG HH22 H -8.817 7.689 -17.040 1.00 . A A . 23 ARG HH22 1 1 2 927 1 1 24 ARG N N -0.396 6.080 -18.090 1.00 . A A . 23 ARG N 1 1 2 928 1 1 24 ARG NE N -5.655 8.113 -16.850 1.00 . A A . 23 ARG NE 1 1 2 929 1 1 24 ARG NH1 N -6.999 7.898 -18.711 1.00 . A A . 23 ARG NH1 1 1 2 930 1 1 24 ARG NH2 N -7.877 7.818 -16.642 1.00 . A A . 23 ARG NH2 1 1 2 931 1 1 24 ARG O O -1.807 8.487 -19.956 1.00 . A A . 23 ARG O 1 1 2 932 1 1 25 CYS C C 1.472 9.896 -19.921 1.00 . A A . 24 CYS C 1 1 2 933 1 1 25 CYS CA C 0.220 10.162 -19.115 1.00 . A A . 24 CYS CA 1 1 2 934 1 1 25 CYS CB C 0.432 11.291 -18.081 1.00 . A A . 24 CYS CB 1 1 2 935 1 1 25 CYS H H 0.236 8.732 -17.564 1.00 . A A . 24 CYS H 1 1 2 936 1 1 25 CYS HA H -0.568 10.532 -19.788 1.00 . A A . 24 CYS HA 1 1 2 937 1 1 25 CYS HB2 H 0.493 12.277 -18.563 1.00 . A A . 24 CYS HB2 1 1 2 938 1 1 25 CYS HB3 H -0.400 11.288 -17.368 1.00 . A A . 24 CYS HB3 1 1 2 939 1 1 25 CYS N N -0.221 8.964 -18.417 1.00 . A A . 24 CYS N 1 1 2 940 1 1 25 CYS O O 1.815 10.757 -20.715 1.00 . A A . 24 CYS O 1 1 2 941 1 1 25 CYS SG S 1.957 11.042 -17.157 1.00 . A A . 24 CYS SG 1 1 2 942 1 1 26 GLY C C 4.645 9.004 -19.765 1.00 . A A . 25 GLY C 1 1 2 943 1 1 26 GLY CA C 3.417 8.536 -20.514 1.00 . A A . 25 GLY CA 1 1 2 944 1 1 26 GLY H H 1.932 8.036 -19.111 1.00 . A A . 25 GLY H 1 1 2 945 1 1 26 GLY HA2 H 3.526 7.461 -20.724 1.00 . A A . 25 GLY HA2 1 1 2 946 1 1 26 GLY HA3 H 3.382 9.047 -21.487 1.00 . A A . 25 GLY HA3 1 1 2 947 1 1 26 GLY N N 2.187 8.755 -19.757 1.00 . A A . 25 GLY N 1 1 2 948 1 1 26 GLY O O 5.679 8.363 -19.858 1.00 . A A . 25 GLY O 1 1 2 949 1 1 27 ALA C C 6.363 9.694 -17.402 1.00 . A A . 26 ALA C 1 1 2 950 1 1 27 ALA CA C 5.725 10.679 -18.349 1.00 . A A . 26 ALA CA 1 1 2 951 1 1 27 ALA CB C 5.362 11.951 -17.545 1.00 . A A . 26 ALA CB 1 1 2 952 1 1 27 ALA H H 3.720 10.665 -19.026 1.00 . A A . 26 ALA H 1 1 2 953 1 1 27 ALA HA H 6.458 10.956 -19.121 1.00 . A A . 26 ALA HA 1 1 2 954 1 1 27 ALA HB1 H 4.907 12.701 -18.210 1.00 . A A . 26 ALA HB1 1 1 2 955 1 1 27 ALA HB2 H 4.653 11.703 -16.742 1.00 . A A . 26 ALA HB2 1 1 2 956 1 1 27 ALA HB3 H 6.262 12.387 -17.087 1.00 . A A . 26 ALA HB3 1 1 2 957 1 1 27 ALA N N 4.562 10.137 -19.040 1.00 . A A . 26 ALA N 1 1 2 958 1 1 27 ALA O O 5.718 8.745 -16.985 1.00 . A A . 26 ALA O 1 1 2 959 1 1 28 ASP C C 8.092 9.338 -14.742 1.00 . A A . 27 ASP C 1 1 2 960 1 1 28 ASP CA C 8.346 8.986 -16.187 1.00 . A A . 27 ASP CA 1 1 2 961 1 1 28 ASP CB C 9.860 8.937 -16.507 1.00 . A A . 27 ASP CB 1 1 2 962 1 1 28 ASP CG C 10.440 7.571 -16.250 1.00 . A A . 27 ASP CG 1 1 2 963 1 1 28 ASP H H 8.149 10.721 -17.388 1.00 . A A . 27 ASP H 1 1 2 964 1 1 28 ASP HA H 7.946 7.989 -16.381 1.00 . A A . 27 ASP HA 1 1 2 965 1 1 28 ASP HB2 H 10.010 9.159 -17.575 1.00 . A A . 27 ASP HB2 1 1 2 966 1 1 28 ASP HB3 H 10.395 9.690 -15.910 1.00 . A A . 27 ASP HB3 1 1 2 967 1 1 28 ASP N N 7.651 9.919 -17.062 1.00 . A A . 27 ASP N 1 1 2 968 1 1 28 ASP O O 7.483 10.358 -14.466 1.00 . A A . 27 ASP O 1 1 2 969 1 1 28 ASP OD1 O 10.268 7.059 -15.108 1.00 . A A . 27 ASP OD1 1 1 2 970 1 1 28 ASP OD2 O 11.070 7.008 -17.185 1.00 . A A . 27 ASP OD2 1 1 2 971 1 1 29 LYS C C 8.886 10.043 -11.961 1.00 . A A . 28 LYS C 1 1 2 972 1 1 29 LYS CA C 8.296 8.725 -12.392 1.00 . A A . 28 LYS CA 1 1 2 973 1 1 29 LYS CB C 8.968 7.638 -11.515 1.00 . A A . 28 LYS CB 1 1 2 974 1 1 29 LYS CD C 9.479 5.090 -11.550 1.00 . A A . 28 LYS CD 1 1 2 975 1 1 29 LYS CE C 9.481 4.598 -10.083 1.00 . A A . 28 LYS CE 1 1 2 976 1 1 29 LYS CG C 8.444 6.214 -11.828 1.00 . A A . 28 LYS CG 1 1 2 977 1 1 29 LYS H H 9.134 7.722 -14.080 1.00 . A A . 28 LYS H 1 1 2 978 1 1 29 LYS HA H 7.208 8.713 -12.215 1.00 . A A . 28 LYS HA 1 1 2 979 1 1 29 LYS HB2 H 10.057 7.665 -11.660 1.00 . A A . 28 LYS HB2 1 1 2 980 1 1 29 LYS HB3 H 8.751 7.902 -10.470 1.00 . A A . 28 LYS HB3 1 1 2 981 1 1 29 LYS HD2 H 9.193 4.227 -12.176 1.00 . A A . 28 LYS HD2 1 1 2 982 1 1 29 LYS HD3 H 10.497 5.383 -11.851 1.00 . A A . 28 LYS HD3 1 1 2 983 1 1 29 LYS HE2 H 8.452 4.493 -9.712 1.00 . A A . 28 LYS HE2 1 1 2 984 1 1 29 LYS HE3 H 9.940 3.597 -10.089 1.00 . A A . 28 LYS HE3 1 1 2 985 1 1 29 LYS HG2 H 7.540 6.067 -11.231 1.00 . A A . 28 LYS HG2 1 1 2 986 1 1 29 LYS HG3 H 8.148 6.111 -12.880 1.00 . A A . 28 LYS HG3 1 1 2 987 1 1 29 LYS HZ1 H 9.887 6.466 -9.122 1.00 . A A . 28 LYS HZ1 1 1 2 988 1 1 29 LYS HZ2 H 11.298 5.486 -9.442 1.00 . A A . 28 LYS HZ2 1 1 2 989 1 1 29 LYS HZ3 H 10.169 5.128 -8.140 1.00 . A A . 28 LYS HZ3 1 1 2 990 1 1 29 LYS N N 8.572 8.502 -13.803 1.00 . A A . 28 LYS N 1 1 2 991 1 1 29 LYS NZ N 10.255 5.457 -9.162 1.00 . A A . 28 LYS NZ 1 1 2 992 1 1 29 LYS O O 8.178 10.867 -11.406 1.00 . A A . 28 LYS O 1 1 2 993 1 1 30 PHE C C 10.947 12.358 -13.050 1.00 . A A . 29 PHE C 1 1 2 994 1 1 30 PHE CA C 10.858 11.474 -11.833 1.00 . A A . 29 PHE CA 1 1 2 995 1 1 30 PHE CB C 12.279 11.163 -11.276 1.00 . A A . 29 PHE CB 1 1 2 996 1 1 30 PHE CD1 C 12.809 13.092 -9.709 1.00 . A A . 29 PHE CD1 1 1 2 997 1 1 30 PHE CD2 C 12.233 10.951 -8.747 1.00 . A A . 29 PHE CD2 1 1 2 998 1 1 30 PHE CE1 C 12.975 13.621 -8.428 1.00 . A A . 29 PHE CE1 1 1 2 999 1 1 30 PHE CE2 C 12.403 11.479 -7.467 1.00 . A A . 29 PHE CE2 1 1 2 1000 1 1 30 PHE CG C 12.445 11.753 -9.872 1.00 . A A . 29 PHE CG 1 1 2 1001 1 1 30 PHE CZ C 12.774 12.814 -7.306 1.00 . A A . 29 PHE CZ 1 1 2 1002 1 1 30 PHE H H 10.724 9.580 -12.766 1.00 . A A . 29 PHE H 1 1 2 1003 1 1 30 PHE HA H 10.288 12.011 -11.058 1.00 . A A . 29 PHE HA 1 1 2 1004 1 1 30 PHE HB2 H 12.438 10.076 -11.209 1.00 . A A . 29 PHE HB2 1 1 2 1005 1 1 30 PHE HB3 H 13.080 11.553 -11.922 1.00 . A A . 29 PHE HB3 1 1 2 1006 1 1 30 PHE HD1 H 12.961 13.727 -10.577 1.00 . A A . 29 PHE HD1 1 1 2 1007 1 1 30 PHE HD2 H 11.935 9.914 -8.861 1.00 . A A . 29 PHE HD2 1 1 2 1008 1 1 30 PHE HE1 H 13.260 14.660 -8.303 1.00 . A A . 29 PHE HE1 1 1 2 1009 1 1 30 PHE HE2 H 12.245 10.849 -6.597 1.00 . A A . 29 PHE HE2 1 1 2 1010 1 1 30 PHE HZ H 12.906 13.224 -6.310 1.00 . A A . 29 PHE HZ 1 1 2 1011 1 1 30 PHE N N 10.197 10.237 -12.224 1.00 . A A . 29 PHE N 1 1 2 1012 1 1 30 PHE O O 11.786 13.241 -13.061 1.00 . A A . 29 PHE O 1 1 2 1013 1 1 31 ASP C C 11.596 12.855 -16.044 1.00 . A A . 30 ASP C 1 1 2 1014 1 1 31 ASP CA C 10.257 12.915 -15.333 1.00 . A A . 30 ASP CA 1 1 2 1015 1 1 31 ASP CB C 9.733 14.354 -15.117 1.00 . A A . 30 ASP CB 1 1 2 1016 1 1 31 ASP CG C 10.821 15.316 -14.728 1.00 . A A . 30 ASP CG 1 1 2 1017 1 1 31 ASP H H 9.394 11.470 -14.072 1.00 . A A . 30 ASP H 1 1 2 1018 1 1 31 ASP HA H 9.548 12.451 -16.040 1.00 . A A . 30 ASP HA 1 1 2 1019 1 1 31 ASP HB2 H 9.297 14.720 -16.059 1.00 . A A . 30 ASP HB2 1 1 2 1020 1 1 31 ASP HB3 H 8.937 14.336 -14.356 1.00 . A A . 30 ASP HB3 1 1 2 1021 1 1 31 ASP N N 10.136 12.135 -14.105 1.00 . A A . 30 ASP N 1 1 2 1022 1 1 31 ASP O O 11.574 12.832 -17.264 1.00 . A A . 30 ASP O 1 1 2 1023 1 1 31 ASP OD1 O 11.634 15.673 -15.622 1.00 . A A . 30 ASP OD1 1 1 2 1024 1 1 31 ASP OD2 O 10.854 15.745 -13.545 1.00 . A A . 30 ASP OD2 1 1 2 1025 1 1 32 NH2 HN1 H 12.870 12.866 -14.412 1.00 . A A . 31 NH2 HN1 1 1 2 1026 1 1 32 NH2 HN2 H 13.620 12.773 -15.951 1.00 . A A . 31 NH2 HN2 1 1 2 1027 1 1 32 NH2 N N 12.785 12.816 -15.405 1.00 . A A . 31 NH2 N 1 1 2 1028 2 2 1 ZN ZN ZN 1.283 9.809 -15.244 1.00 . B A . 32 ZN ZN 1 1 3 1029 1 1 1 ACE C C -1.086 -4.726 -1.643 1.00 . A A . 0 ACE C 1 1 3 1030 1 1 1 ACE CH3 C -2.325 -4.579 -0.806 1.00 . A A . 0 ACE CH3 1 1 3 1031 1 1 1 ACE H1 H -3.210 -4.594 -1.461 1.00 . A A . 0 ACE H1 1 1 3 1032 1 1 1 ACE H2 H -2.295 -3.627 -0.258 1.00 . A A . 0 ACE H2 1 1 3 1033 1 1 1 ACE H3 H -2.399 -5.409 -0.088 1.00 . A A . 0 ACE H3 1 1 3 1034 1 1 1 ACE O O -0.362 -5.692 -1.468 1.00 . A A . 0 ACE O 1 1 3 1035 1 1 2 LYS C C 1.385 -3.002 -2.934 1.00 . A A . 1 LYS C 1 1 3 1036 1 1 2 LYS CA C 0.292 -3.890 -3.466 1.00 . A A . 1 LYS CA 1 1 3 1037 1 1 2 LYS CB C -0.167 -3.504 -4.895 1.00 . A A . 1 LYS CB 1 1 3 1038 1 1 2 LYS CD C -0.436 -4.498 -7.223 1.00 . A A . 1 LYS CD 1 1 3 1039 1 1 2 LYS CE C -0.656 -3.157 -7.976 1.00 . A A . 1 LYS CE 1 1 3 1040 1 1 2 LYS CG C 0.521 -4.341 -6.014 1.00 . A A . 1 LYS CG 1 1 3 1041 1 1 2 LYS H H -1.430 -2.960 -2.639 1.00 . A A . 1 LYS H 1 1 3 1042 1 1 2 LYS HA H 0.628 -4.934 -3.491 1.00 . A A . 1 LYS HA 1 1 3 1043 1 1 2 LYS HB2 H -1.247 -3.702 -4.930 1.00 . A A . 1 LYS HB2 1 1 3 1044 1 1 2 LYS HB3 H -0.035 -2.425 -5.054 1.00 . A A . 1 LYS HB3 1 1 3 1045 1 1 2 LYS HD2 H -0.015 -5.248 -7.902 1.00 . A A . 1 LYS HD2 1 1 3 1046 1 1 2 LYS HD3 H -1.379 -4.922 -6.849 1.00 . A A . 1 LYS HD3 1 1 3 1047 1 1 2 LYS HE2 H -0.458 -2.309 -7.308 1.00 . A A . 1 LYS HE2 1 1 3 1048 1 1 2 LYS HE3 H 0.073 -3.106 -8.797 1.00 . A A . 1 LYS HE3 1 1 3 1049 1 1 2 LYS HG2 H 1.482 -3.900 -6.321 1.00 . A A . 1 LYS HG2 1 1 3 1050 1 1 2 LYS HG3 H 0.719 -5.372 -5.683 1.00 . A A . 1 LYS HG3 1 1 3 1051 1 1 2 LYS HZ1 H -2.434 -2.032 -8.193 1.00 . A A . 1 LYS HZ1 1 1 3 1052 1 1 2 LYS HZ2 H -2.741 -3.728 -8.226 1.00 . A A . 1 LYS HZ2 1 1 3 1053 1 1 2 LYS HZ3 H -2.012 -2.952 -9.599 1.00 . A A . 1 LYS HZ3 1 1 3 1054 1 1 2 LYS N N -0.846 -3.769 -2.565 1.00 . A A . 1 LYS N 1 1 3 1055 1 1 2 LYS NZ N -2.024 -2.978 -8.520 1.00 . A A . 1 LYS NZ 1 1 3 1056 1 1 2 LYS O O 1.341 -1.799 -3.134 1.00 . A A . 1 LYS O 1 1 3 1057 1 1 3 PHE C C 4.579 -2.706 -2.729 1.00 . A A . 2 PHE C 1 1 3 1058 1 1 3 PHE CA C 3.466 -2.764 -1.711 1.00 . A A . 2 PHE CA 1 1 3 1059 1 1 3 PHE CB C 3.901 -3.396 -0.364 1.00 . A A . 2 PHE CB 1 1 3 1060 1 1 3 PHE CD1 C 4.257 -1.307 1.019 1.00 . A A . 2 PHE CD1 1 1 3 1061 1 1 3 PHE CD2 C 6.158 -2.743 0.617 1.00 . A A . 2 PHE CD2 1 1 3 1062 1 1 3 PHE CE1 C 5.062 -0.445 1.764 1.00 . A A . 2 PHE CE1 1 1 3 1063 1 1 3 PHE CE2 C 6.962 -1.888 1.375 1.00 . A A . 2 PHE CE2 1 1 3 1064 1 1 3 PHE CG C 4.801 -2.458 0.442 1.00 . A A . 2 PHE CG 1 1 3 1065 1 1 3 PHE CZ C 6.415 -0.738 1.948 1.00 . A A . 2 PHE CZ 1 1 3 1066 1 1 3 PHE H H 2.412 -4.567 -2.079 1.00 . A A . 2 PHE H 1 1 3 1067 1 1 3 PHE HA H 3.129 -1.736 -1.509 1.00 . A A . 2 PHE HA 1 1 3 1068 1 1 3 PHE HB2 H 3.002 -3.586 0.244 1.00 . A A . 2 PHE HB2 1 1 3 1069 1 1 3 PHE HB3 H 4.394 -4.365 -0.546 1.00 . A A . 2 PHE HB3 1 1 3 1070 1 1 3 PHE HD1 H 3.204 -1.078 0.896 1.00 . A A . 2 PHE HD1 1 1 3 1071 1 1 3 PHE HD2 H 6.598 -3.627 0.167 1.00 . A A . 2 PHE HD2 1 1 3 1072 1 1 3 PHE HE1 H 4.636 0.452 2.201 1.00 . A A . 2 PHE HE1 1 1 3 1073 1 1 3 PHE HE2 H 8.011 -2.120 1.519 1.00 . A A . 2 PHE HE2 1 1 3 1074 1 1 3 PHE HZ H 7.040 -0.073 2.534 1.00 . A A . 2 PHE HZ 1 1 3 1075 1 1 3 PHE N N 2.381 -3.579 -2.234 1.00 . A A . 2 PHE N 1 1 3 1076 1 1 3 PHE O O 5.714 -2.974 -2.370 1.00 . A A . 2 PHE O 1 1 3 1077 1 1 4 GLU C C 4.896 -1.493 -6.174 1.00 . A A . 3 GLU C 1 1 3 1078 1 1 4 GLU CA C 5.347 -2.350 -5.009 1.00 . A A . 3 GLU CA 1 1 3 1079 1 1 4 GLU CB C 5.699 -3.814 -5.400 1.00 . A A . 3 GLU CB 1 1 3 1080 1 1 4 GLU CD C 7.902 -4.979 -6.045 1.00 . A A . 3 GLU CD 1 1 3 1081 1 1 4 GLU CG C 6.921 -3.885 -6.350 1.00 . A A . 3 GLU CG 1 1 3 1082 1 1 4 GLU H H 3.357 -2.138 -4.316 1.00 . A A . 3 GLU H 1 1 3 1083 1 1 4 GLU HA H 6.235 -1.866 -4.575 1.00 . A A . 3 GLU HA 1 1 3 1084 1 1 4 GLU HB2 H 5.953 -4.374 -4.488 1.00 . A A . 3 GLU HB2 1 1 3 1085 1 1 4 GLU HB3 H 4.825 -4.301 -5.863 1.00 . A A . 3 GLU HB3 1 1 3 1086 1 1 4 GLU HG2 H 6.577 -3.993 -7.389 1.00 . A A . 3 GLU HG2 1 1 3 1087 1 1 4 GLU HG3 H 7.516 -2.972 -6.240 1.00 . A A . 3 GLU HG3 1 1 3 1088 1 1 4 GLU N N 4.288 -2.366 -4.006 1.00 . A A . 3 GLU N 1 1 3 1089 1 1 4 GLU O O 4.768 -1.974 -7.289 1.00 . A A . 3 GLU O 1 1 3 1090 1 1 4 GLU OE1 O 8.643 -4.833 -5.036 1.00 . A A . 3 GLU OE1 1 1 3 1091 1 1 4 GLU OE2 O 7.961 -5.968 -6.824 1.00 . A A . 3 GLU OE2 1 1 3 1092 1 1 5 ASP C C 4.439 2.106 -6.663 1.00 . A A . 4 ASP C 1 1 3 1093 1 1 5 ASP CA C 4.078 0.674 -6.955 1.00 . A A . 4 ASP CA 1 1 3 1094 1 1 5 ASP CB C 2.540 0.513 -7.038 1.00 . A A . 4 ASP CB 1 1 3 1095 1 1 5 ASP CG C 2.139 -0.934 -6.973 1.00 . A A . 4 ASP CG 1 1 3 1096 1 1 5 ASP H H 4.725 0.190 -4.994 1.00 . A A . 4 ASP H 1 1 3 1097 1 1 5 ASP HA H 4.529 0.451 -7.925 1.00 . A A . 4 ASP HA 1 1 3 1098 1 1 5 ASP HB2 H 2.073 1.039 -6.193 1.00 . A A . 4 ASP HB2 1 1 3 1099 1 1 5 ASP HB3 H 2.149 0.945 -7.969 1.00 . A A . 4 ASP HB3 1 1 3 1100 1 1 5 ASP N N 4.630 -0.191 -5.915 1.00 . A A . 4 ASP N 1 1 3 1101 1 1 5 ASP O O 5.051 2.347 -5.636 1.00 . A A . 4 ASP O 1 1 3 1102 1 1 5 ASP OD1 O 2.197 -1.521 -5.858 1.00 . A A . 4 ASP OD1 1 1 3 1103 1 1 5 ASP OD2 O 1.756 -1.496 -8.033 1.00 . A A . 4 ASP OD2 1 1 3 1104 1 1 6 TRP C C 3.373 5.347 -7.949 1.00 . A A . 5 TRP C 1 1 3 1105 1 1 6 TRP CA C 4.394 4.459 -7.290 1.00 . A A . 5 TRP CA 1 1 3 1106 1 1 6 TRP CB C 5.793 4.798 -7.846 1.00 . A A . 5 TRP CB 1 1 3 1107 1 1 6 TRP CD1 C 6.375 3.181 -9.708 1.00 . A A . 5 TRP CD1 1 1 3 1108 1 1 6 TRP CD2 C 5.547 5.137 -10.511 1.00 . A A . 5 TRP CD2 1 1 3 1109 1 1 6 TRP CE2 C 5.914 4.294 -11.542 1.00 . A A . 5 TRP CE2 1 1 3 1110 1 1 6 TRP CE3 C 4.987 6.392 -10.738 1.00 . A A . 5 TRP CE3 1 1 3 1111 1 1 6 TRP CG C 5.910 4.361 -9.279 1.00 . A A . 5 TRP CG 1 1 3 1112 1 1 6 TRP CH2 C 5.276 5.953 -13.115 1.00 . A A . 5 TRP CH2 1 1 3 1113 1 1 6 TRP CZ2 C 5.802 4.678 -12.872 1.00 . A A . 5 TRP CZ2 1 1 3 1114 1 1 6 TRP CZ3 C 4.835 6.771 -12.072 1.00 . A A . 5 TRP CZ3 1 1 3 1115 1 1 6 TRP H H 3.616 2.838 -8.414 1.00 . A A . 5 TRP H 1 1 3 1116 1 1 6 TRP HA H 4.364 4.662 -6.209 1.00 . A A . 5 TRP HA 1 1 3 1117 1 1 6 TRP HB2 H 6.001 5.876 -7.774 1.00 . A A . 5 TRP HB2 1 1 3 1118 1 1 6 TRP HB3 H 6.543 4.259 -7.247 1.00 . A A . 5 TRP HB3 1 1 3 1119 1 1 6 TRP HD1 H 6.675 2.443 -8.980 1.00 . A A . 5 TRP HD1 1 1 3 1120 1 1 6 TRP HE1 H 6.679 2.329 -11.581 1.00 . A A . 5 TRP HE1 1 1 3 1121 1 1 6 TRP HE3 H 4.703 7.021 -9.913 1.00 . A A . 5 TRP HE3 1 1 3 1122 1 1 6 TRP HH2 H 5.227 6.328 -14.124 1.00 . A A . 5 TRP HH2 1 1 3 1123 1 1 6 TRP HZ2 H 6.112 4.044 -13.689 1.00 . A A . 5 TRP HZ2 1 1 3 1124 1 1 6 TRP HZ3 H 4.383 7.718 -12.319 1.00 . A A . 5 TRP HZ3 1 1 3 1125 1 1 6 TRP N N 4.080 3.059 -7.550 1.00 . A A . 5 TRP N 1 1 3 1126 1 1 6 TRP NE1 N 6.373 3.137 -11.017 1.00 . A A . 5 TRP NE1 1 1 3 1127 1 1 6 TRP O O 2.687 4.870 -8.838 1.00 . A A . 5 TRP O 1 1 3 1128 1 1 7 LEU C C 2.902 8.547 -8.994 1.00 . A A . 6 LEU C 1 1 3 1129 1 1 7 LEU CA C 2.278 7.535 -8.073 1.00 . A A . 6 LEU CA 1 1 3 1130 1 1 7 LEU CB C 1.521 8.348 -6.998 1.00 . A A . 6 LEU CB 1 1 3 1131 1 1 7 LEU CD1 C 0.962 6.986 -4.891 1.00 . A A . 6 LEU CD1 1 1 3 1132 1 1 7 LEU CD2 C -0.832 8.413 -6.049 1.00 . A A . 6 LEU CD2 1 1 3 1133 1 1 7 LEU CG C 0.432 7.535 -6.242 1.00 . A A . 6 LEU CG 1 1 3 1134 1 1 7 LEU H H 3.899 6.993 -6.827 1.00 . A A . 6 LEU H 1 1 3 1135 1 1 7 LEU HA H 1.546 6.986 -8.663 1.00 . A A . 6 LEU HA 1 1 3 1136 1 1 7 LEU HB2 H 2.248 8.792 -6.301 1.00 . A A . 6 LEU HB2 1 1 3 1137 1 1 7 LEU HB3 H 1.032 9.175 -7.535 1.00 . A A . 6 LEU HB3 1 1 3 1138 1 1 7 LEU HD11 H 1.454 7.773 -4.303 1.00 . A A . 6 LEU HD11 1 1 3 1139 1 1 7 LEU HD12 H 1.682 6.175 -5.081 1.00 . A A . 6 LEU HD12 1 1 3 1140 1 1 7 LEU HD13 H 0.137 6.589 -4.284 1.00 . A A . 6 LEU HD13 1 1 3 1141 1 1 7 LEU HD21 H -1.359 8.496 -7.013 1.00 . A A . 6 LEU HD21 1 1 3 1142 1 1 7 LEU HD22 H -0.559 9.423 -5.705 1.00 . A A . 6 LEU HD22 1 1 3 1143 1 1 7 LEU HD23 H -1.525 7.967 -5.322 1.00 . A A . 6 LEU HD23 1 1 3 1144 1 1 7 LEU HG H 0.104 6.676 -6.844 1.00 . A A . 6 LEU HG 1 1 3 1145 1 1 7 LEU N N 3.276 6.627 -7.518 1.00 . A A . 6 LEU N 1 1 3 1146 1 1 7 LEU O O 3.973 9.040 -8.683 1.00 . A A . 6 LEU O 1 1 3 1147 1 1 8 CYS C C 2.652 11.226 -10.544 1.00 . A A . 7 CYS C 1 1 3 1148 1 1 8 CYS CA C 2.837 9.818 -11.045 1.00 . A A . 7 CYS CA 1 1 3 1149 1 1 8 CYS CB C 2.207 9.681 -12.449 1.00 . A A . 7 CYS CB 1 1 3 1150 1 1 8 CYS H H 1.344 8.479 -10.364 1.00 . A A . 7 CYS H 1 1 3 1151 1 1 8 CYS HA H 3.914 9.615 -11.125 1.00 . A A . 7 CYS HA 1 1 3 1152 1 1 8 CYS HB2 H 2.274 8.646 -12.813 1.00 . A A . 7 CYS HB2 1 1 3 1153 1 1 8 CYS HB3 H 1.149 9.969 -12.416 1.00 . A A . 7 CYS HB3 1 1 3 1154 1 1 8 CYS N N 2.241 8.864 -10.129 1.00 . A A . 7 CYS N 1 1 3 1155 1 1 8 CYS O O 1.666 11.487 -9.872 1.00 . A A . 7 CYS O 1 1 3 1156 1 1 8 CYS SG S 3.094 10.789 -13.586 1.00 . A A . 7 CYS SG 1 1 3 1157 1 1 9 ASN C C 2.853 14.368 -11.569 1.00 . A A . 8 ASN C 1 1 3 1158 1 1 9 ASN CA C 3.482 13.535 -10.470 1.00 . A A . 8 ASN CA 1 1 3 1159 1 1 9 ASN CB C 4.902 14.045 -10.078 1.00 . A A . 8 ASN CB 1 1 3 1160 1 1 9 ASN CG C 4.919 14.566 -8.663 1.00 . A A . 8 ASN CG 1 1 3 1161 1 1 9 ASN H H 4.339 11.891 -11.498 1.00 . A A . 8 ASN H 1 1 3 1162 1 1 9 ASN HA H 2.825 13.616 -9.590 1.00 . A A . 8 ASN HA 1 1 3 1163 1 1 9 ASN HB2 H 5.636 13.232 -10.172 1.00 . A A . 8 ASN HB2 1 1 3 1164 1 1 9 ASN HB3 H 5.249 14.848 -10.743 1.00 . A A . 8 ASN HB3 1 1 3 1165 1 1 9 ASN HD21 H 6.302 13.201 -7.964 1.00 . A A . 8 ASN HD21 1 1 3 1166 1 1 9 ASN HD22 H 5.715 14.342 -6.813 1.00 . A A . 8 ASN HD22 1 1 3 1167 1 1 9 ASN N N 3.586 12.141 -10.890 1.00 . A A . 8 ASN N 1 1 3 1168 1 1 9 ASN ND2 N 5.715 13.981 -7.744 1.00 . A A . 8 ASN ND2 1 1 3 1169 1 1 9 ASN O O 3.167 15.542 -11.693 1.00 . A A . 8 ASN O 1 1 3 1170 1 1 9 ASN OD1 O 4.208 15.516 -8.375 1.00 . A A . 8 ASN OD1 1 1 3 1171 1 1 10 LYS C C -0.104 14.113 -13.637 1.00 . A A . 9 LYS C 1 1 3 1172 1 1 10 LYS CA C 1.355 14.492 -13.507 1.00 . A A . 9 LYS CA 1 1 3 1173 1 1 10 LYS CB C 2.161 14.173 -14.795 1.00 . A A . 9 LYS CB 1 1 3 1174 1 1 10 LYS CD C 3.705 15.603 -16.226 1.00 . A A . 9 LYS CD 1 1 3 1175 1 1 10 LYS CE C 3.842 16.762 -17.246 1.00 . A A . 9 LYS CE 1 1 3 1176 1 1 10 LYS CG C 2.235 15.359 -15.802 1.00 . A A . 9 LYS CG 1 1 3 1177 1 1 10 LYS H H 1.730 12.818 -12.268 1.00 . A A . 9 LYS H 1 1 3 1178 1 1 10 LYS HA H 1.386 15.568 -13.285 1.00 . A A . 9 LYS HA 1 1 3 1179 1 1 10 LYS HB2 H 3.176 13.897 -14.472 1.00 . A A . 9 LYS HB2 1 1 3 1180 1 1 10 LYS HB3 H 1.742 13.293 -15.308 1.00 . A A . 9 LYS HB3 1 1 3 1181 1 1 10 LYS HD2 H 4.325 15.824 -15.341 1.00 . A A . 9 LYS HD2 1 1 3 1182 1 1 10 LYS HD3 H 4.087 14.680 -16.690 1.00 . A A . 9 LYS HD3 1 1 3 1183 1 1 10 LYS HE2 H 4.848 16.683 -17.686 1.00 . A A . 9 LYS HE2 1 1 3 1184 1 1 10 LYS HE3 H 3.108 16.628 -18.057 1.00 . A A . 9 LYS HE3 1 1 3 1185 1 1 10 LYS HG2 H 1.635 15.110 -16.692 1.00 . A A . 9 LYS HG2 1 1 3 1186 1 1 10 LYS HG3 H 1.842 16.297 -15.386 1.00 . A A . 9 LYS HG3 1 1 3 1187 1 1 10 LYS HZ1 H 2.702 18.515 -16.813 1.00 . A A . 9 LYS HZ1 1 1 3 1188 1 1 10 LYS HZ2 H 4.396 18.798 -17.082 1.00 . A A . 9 LYS HZ2 1 1 3 1189 1 1 10 LYS HZ3 H 3.868 18.135 -15.578 1.00 . A A . 9 LYS HZ3 1 1 3 1190 1 1 10 LYS N N 1.955 13.775 -12.385 1.00 . A A . 9 LYS N 1 1 3 1191 1 1 10 LYS NZ N 3.688 18.108 -16.643 1.00 . A A . 9 LYS NZ 1 1 3 1192 1 1 10 LYS O O -0.933 15.007 -13.587 1.00 . A A . 9 LYS O 1 1 3 1193 1 1 11 CYS C C -2.229 11.819 -12.410 1.00 . A A . 10 CYS C 1 1 3 1194 1 1 11 CYS CA C -1.846 12.402 -13.753 1.00 . A A . 10 CYS CA 1 1 3 1195 1 1 11 CYS CB C -2.122 11.373 -14.871 1.00 . A A . 10 CYS CB 1 1 3 1196 1 1 11 CYS H H 0.241 12.095 -13.858 1.00 . A A . 10 CYS H 1 1 3 1197 1 1 11 CYS HA H -2.513 13.250 -13.968 1.00 . A A . 10 CYS HA 1 1 3 1198 1 1 11 CYS HB2 H -3.193 11.138 -14.949 1.00 . A A . 10 CYS HB2 1 1 3 1199 1 1 11 CYS HB3 H -1.771 11.769 -15.833 1.00 . A A . 10 CYS HB3 1 1 3 1200 1 1 11 CYS N N -0.444 12.811 -13.782 1.00 . A A . 10 CYS N 1 1 3 1201 1 1 11 CYS O O -3.386 11.465 -12.247 1.00 . A A . 10 CYS O 1 1 3 1202 1 1 11 CYS SG S -1.232 9.849 -14.498 1.00 . A A . 10 CYS SG 1 1 3 1203 1 1 12 CYS C C -2.108 9.727 -10.176 1.00 . A A . 11 CYS C 1 1 3 1204 1 1 12 CYS CA C -1.711 11.186 -10.113 1.00 . A A . 11 CYS CA 1 1 3 1205 1 1 12 CYS CB C -2.828 12.093 -9.521 1.00 . A A . 11 CYS CB 1 1 3 1206 1 1 12 CYS H H -0.361 11.972 -11.517 1.00 . A A . 11 CYS H 1 1 3 1207 1 1 12 CYS HA H -0.844 11.227 -9.436 1.00 . A A . 11 CYS HA 1 1 3 1208 1 1 12 CYS HB2 H -2.986 12.980 -10.155 1.00 . A A . 11 CYS HB2 1 1 3 1209 1 1 12 CYS HB3 H -3.783 11.552 -9.450 1.00 . A A . 11 CYS HB3 1 1 3 1210 1 1 12 CYS HG H -1.807 13.494 -8.167 1.00 . A A . 11 CYS HG 1 1 3 1211 1 1 12 CYS N N -1.314 11.703 -11.418 1.00 . A A . 11 CYS N 1 1 3 1212 1 1 12 CYS O O -2.801 9.268 -9.283 1.00 . A A . 11 CYS O 1 1 3 1213 1 1 12 CYS SG S -2.383 12.721 -7.868 1.00 . A A . 11 CYS SG 1 1 3 1214 1 1 13 LEU C C -1.077 6.680 -10.775 1.00 . A A . 12 LEU C 1 1 3 1215 1 1 13 LEU CA C -2.119 7.593 -11.372 1.00 . A A . 12 LEU CA 1 1 3 1216 1 1 13 LEU CB C -2.367 7.275 -12.867 1.00 . A A . 12 LEU CB 1 1 3 1217 1 1 13 LEU CD1 C -2.134 4.685 -13.055 1.00 . A A . 12 LEU CD1 1 1 3 1218 1 1 13 LEU CD2 C -4.427 5.725 -12.492 1.00 . A A . 12 LEU CD2 1 1 3 1219 1 1 13 LEU CG C -3.060 5.923 -13.195 1.00 . A A . 12 LEU CG 1 1 3 1220 1 1 13 LEU H H -1.051 9.335 -11.893 1.00 . A A . 12 LEU H 1 1 3 1221 1 1 13 LEU HA H -3.087 7.491 -10.866 1.00 . A A . 12 LEU HA 1 1 3 1222 1 1 13 LEU HB2 H -3.023 8.074 -13.241 1.00 . A A . 12 LEU HB2 1 1 3 1223 1 1 13 LEU HB3 H -1.411 7.319 -13.412 1.00 . A A . 12 LEU HB3 1 1 3 1224 1 1 13 LEU HD11 H -2.509 4.035 -12.255 1.00 . A A . 12 LEU HD11 1 1 3 1225 1 1 13 LEU HD12 H -1.102 4.967 -12.821 1.00 . A A . 12 LEU HD12 1 1 3 1226 1 1 13 LEU HD13 H -2.117 4.103 -13.989 1.00 . A A . 12 LEU HD13 1 1 3 1227 1 1 13 LEU HD21 H -4.333 5.553 -11.414 1.00 . A A . 12 LEU HD21 1 1 3 1228 1 1 13 LEU HD22 H -4.933 4.851 -12.927 1.00 . A A . 12 LEU HD22 1 1 3 1229 1 1 13 LEU HD23 H -5.055 6.615 -12.650 1.00 . A A . 12 LEU HD23 1 1 3 1230 1 1 13 LEU HG H -3.332 5.990 -14.255 1.00 . A A . 12 LEU HG 1 1 3 1231 1 1 13 LEU N N -1.679 8.974 -11.214 1.00 . A A . 12 LEU N 1 1 3 1232 1 1 13 LEU O O 0.104 6.964 -10.906 1.00 . A A . 12 LEU O 1 1 3 1233 1 1 14 ASN C C -0.088 3.645 -10.391 1.00 . A A . 13 ASN C 1 1 3 1234 1 1 14 ASN CA C -0.611 4.683 -9.431 1.00 . A A . 13 ASN CA 1 1 3 1235 1 1 14 ASN CB C -1.312 4.003 -8.225 1.00 . A A . 13 ASN CB 1 1 3 1236 1 1 14 ASN CG C -0.442 4.021 -6.995 1.00 . A A . 13 ASN CG 1 1 3 1237 1 1 14 ASN H H -2.497 5.390 -10.067 1.00 . A A . 13 ASN H 1 1 3 1238 1 1 14 ASN HA H 0.204 5.278 -9.023 1.00 . A A . 13 ASN HA 1 1 3 1239 1 1 14 ASN HB2 H -2.260 4.510 -8.000 1.00 . A A . 13 ASN HB2 1 1 3 1240 1 1 14 ASN HB3 H -1.545 2.953 -8.454 1.00 . A A . 13 ASN HB3 1 1 3 1241 1 1 14 ASN HD21 H -1.894 4.828 -5.759 1.00 . A A . 13 ASN HD21 1 1 3 1242 1 1 14 ASN HD22 H -0.395 4.414 -5.016 1.00 . A A . 13 ASN HD22 1 1 3 1243 1 1 14 ASN N N -1.525 5.593 -10.110 1.00 . A A . 13 ASN N 1 1 3 1244 1 1 14 ASN ND2 N -0.965 4.463 -5.833 1.00 . A A . 13 ASN ND2 1 1 3 1245 1 1 14 ASN O O -0.893 2.869 -10.880 1.00 . A A . 13 ASN O 1 1 3 1246 1 1 14 ASN OD1 O 0.712 3.631 -7.069 1.00 . A A . 13 ASN OD1 1 1 3 1247 1 1 15 ASN C C 2.632 1.630 -10.987 1.00 . A A . 14 ASN C 1 1 3 1248 1 1 15 ASN CA C 1.751 2.648 -11.648 1.00 . A A . 14 ASN CA 1 1 3 1249 1 1 15 ASN CB C 2.602 3.354 -12.717 1.00 . A A . 14 ASN CB 1 1 3 1250 1 1 15 ASN CG C 1.691 4.282 -13.463 1.00 . A A . 14 ASN CG 1 1 3 1251 1 1 15 ASN H H 1.892 4.203 -10.223 1.00 . A A . 14 ASN H 1 1 3 1252 1 1 15 ASN HA H 0.928 2.134 -12.162 1.00 . A A . 14 ASN HA 1 1 3 1253 1 1 15 ASN HB2 H 3.403 3.903 -12.215 1.00 . A A . 14 ASN HB2 1 1 3 1254 1 1 15 ASN HB3 H 3.070 2.631 -13.393 1.00 . A A . 14 ASN HB3 1 1 3 1255 1 1 15 ASN HD21 H 2.018 5.821 -12.133 1.00 . A A . 14 ASN HD21 1 1 3 1256 1 1 15 ASN HD22 H 0.856 6.130 -13.343 1.00 . A A . 14 ASN HD22 1 1 3 1257 1 1 15 ASN N N 1.232 3.602 -10.678 1.00 . A A . 14 ASN N 1 1 3 1258 1 1 15 ASN ND2 N 1.517 5.509 -12.939 1.00 . A A . 14 ASN ND2 1 1 3 1259 1 1 15 ASN O O 3.236 1.927 -9.970 1.00 . A A . 14 ASN O 1 1 3 1260 1 1 15 ASN OD1 O 1.137 3.886 -14.478 1.00 . A A . 14 ASN OD1 1 1 3 1261 1 1 16 PHE C C 4.901 -0.251 -10.858 1.00 . A A . 15 PHE C 1 1 3 1262 1 1 16 PHE CA C 3.448 -0.656 -10.950 1.00 . A A . 15 PHE CA 1 1 3 1263 1 1 16 PHE CB C 3.305 -2.011 -11.710 1.00 . A A . 15 PHE CB 1 1 3 1264 1 1 16 PHE CD1 C 4.201 -3.796 -10.064 1.00 . A A . 15 PHE CD1 1 1 3 1265 1 1 16 PHE CD2 C 1.899 -3.875 -10.715 1.00 . A A . 15 PHE CD2 1 1 3 1266 1 1 16 PHE CE1 C 4.019 -4.898 -9.231 1.00 . A A . 15 PHE CE1 1 1 3 1267 1 1 16 PHE CE2 C 1.740 -5.048 -9.975 1.00 . A A . 15 PHE CE2 1 1 3 1268 1 1 16 PHE CG C 3.145 -3.246 -10.801 1.00 . A A . 15 PHE CG 1 1 3 1269 1 1 16 PHE CZ C 2.774 -5.523 -9.169 1.00 . A A . 15 PHE CZ 1 1 3 1270 1 1 16 PHE H H 2.224 0.247 -12.435 1.00 . A A . 15 PHE H 1 1 3 1271 1 1 16 PHE HA H 3.018 -0.781 -9.950 1.00 . A A . 15 PHE HA 1 1 3 1272 1 1 16 PHE HB2 H 2.406 -1.987 -12.343 1.00 . A A . 15 PHE HB2 1 1 3 1273 1 1 16 PHE HB3 H 4.148 -2.149 -12.400 1.00 . A A . 15 PHE HB3 1 1 3 1274 1 1 16 PHE HD1 H 5.197 -3.400 -10.111 1.00 . A A . 15 PHE HD1 1 1 3 1275 1 1 16 PHE HD2 H 1.033 -3.468 -11.224 1.00 . A A . 15 PHE HD2 1 1 3 1276 1 1 16 PHE HE1 H 4.845 -5.274 -8.636 1.00 . A A . 15 PHE HE1 1 1 3 1277 1 1 16 PHE HE2 H 0.806 -5.593 -10.033 1.00 . A A . 15 PHE HE2 1 1 3 1278 1 1 16 PHE HZ H 2.622 -6.368 -8.506 1.00 . A A . 15 PHE HZ 1 1 3 1279 1 1 16 PHE N N 2.700 0.420 -11.580 1.00 . A A . 15 PHE N 1 1 3 1280 1 1 16 PHE O O 5.389 0.499 -11.688 1.00 . A A . 15 PHE O 1 1 3 1281 1 1 17 ARG C C 7.843 -1.037 -10.994 1.00 . A A . 16 ARG C 1 1 3 1282 1 1 17 ARG CA C 7.082 -0.529 -9.801 1.00 . A A . 16 ARG CA 1 1 3 1283 1 1 17 ARG CB C 7.709 -1.160 -8.536 1.00 . A A . 16 ARG CB 1 1 3 1284 1 1 17 ARG CD C 9.165 0.800 -7.823 1.00 . A A . 16 ARG CD 1 1 3 1285 1 1 17 ARG CG C 7.980 -0.121 -7.420 1.00 . A A . 16 ARG CG 1 1 3 1286 1 1 17 ARG CZ C 11.295 1.549 -6.903 1.00 . A A . 16 ARG CZ 1 1 3 1287 1 1 17 ARG H H 5.176 -1.330 -9.171 1.00 . A A . 16 ARG H 1 1 3 1288 1 1 17 ARG HA H 7.286 0.539 -9.830 1.00 . A A . 16 ARG HA 1 1 3 1289 1 1 17 ARG HB2 H 7.019 -1.909 -8.168 1.00 . A A . 16 ARG HB2 1 1 3 1290 1 1 17 ARG HB3 H 8.629 -1.716 -8.774 1.00 . A A . 16 ARG HB3 1 1 3 1291 1 1 17 ARG HD2 H 9.714 0.269 -8.611 1.00 . A A . 16 ARG HD2 1 1 3 1292 1 1 17 ARG HD3 H 8.795 1.754 -8.221 1.00 . A A . 16 ARG HD3 1 1 3 1293 1 1 17 ARG HE H 9.764 0.849 -5.771 1.00 . A A . 16 ARG HE 1 1 3 1294 1 1 17 ARG HG2 H 7.078 0.471 -7.198 1.00 . A A . 16 ARG HG2 1 1 3 1295 1 1 17 ARG HG3 H 8.238 -0.695 -6.519 1.00 . A A . 16 ARG HG3 1 1 3 1296 1 1 17 ARG HH11 H 11.211 1.838 -8.933 1.00 . A A . 16 ARG HH11 1 1 3 1297 1 1 17 ARG HH12 H 12.737 2.239 -8.171 1.00 . A A . 16 ARG HH12 1 1 3 1298 1 1 17 ARG HH21 H 11.750 1.423 -4.916 1.00 . A A . 16 ARG HH21 1 1 3 1299 1 1 17 ARG HH22 H 13.032 2.046 -5.950 1.00 . A A . 16 ARG HH22 1 1 3 1300 1 1 17 ARG N N 5.637 -0.768 -9.860 1.00 . A A . 16 ARG N 1 1 3 1301 1 1 17 ARG NE N 10.083 1.080 -6.723 1.00 . A A . 16 ARG NE 1 1 3 1302 1 1 17 ARG NH1 N 11.771 1.898 -8.075 1.00 . A A . 16 ARG NH1 1 1 3 1303 1 1 17 ARG NH2 N 12.072 1.684 -5.859 1.00 . A A . 16 ARG NH2 1 1 3 1304 1 1 17 ARG O O 8.945 -0.574 -11.239 1.00 . A A . 16 ARG O 1 1 3 1305 1 1 18 LYS C C 7.671 -1.529 -14.068 1.00 . A A . 17 LYS C 1 1 3 1306 1 1 18 LYS CA C 7.919 -2.491 -12.929 1.00 . A A . 17 LYS CA 1 1 3 1307 1 1 18 LYS CB C 7.283 -3.871 -13.262 1.00 . A A . 17 LYS CB 1 1 3 1308 1 1 18 LYS CD C 9.216 -5.471 -12.755 1.00 . A A . 17 LYS CD 1 1 3 1309 1 1 18 LYS CE C 10.724 -5.471 -13.127 1.00 . A A . 17 LYS CE 1 1 3 1310 1 1 18 LYS CG C 8.341 -4.817 -13.867 1.00 . A A . 17 LYS CG 1 1 3 1311 1 1 18 LYS H H 6.344 -2.286 -11.576 1.00 . A A . 17 LYS H 1 1 3 1312 1 1 18 LYS HA H 8.999 -2.593 -12.738 1.00 . A A . 17 LYS HA 1 1 3 1313 1 1 18 LYS HB2 H 6.871 -4.373 -12.371 1.00 . A A . 17 LYS HB2 1 1 3 1314 1 1 18 LYS HB3 H 6.451 -3.716 -13.968 1.00 . A A . 17 LYS HB3 1 1 3 1315 1 1 18 LYS HD2 H 9.110 -4.962 -11.784 1.00 . A A . 17 LYS HD2 1 1 3 1316 1 1 18 LYS HD3 H 8.849 -6.500 -12.620 1.00 . A A . 17 LYS HD3 1 1 3 1317 1 1 18 LYS HE2 H 10.843 -5.506 -14.220 1.00 . A A . 17 LYS HE2 1 1 3 1318 1 1 18 LYS HE3 H 11.177 -4.533 -12.760 1.00 . A A . 17 LYS HE3 1 1 3 1319 1 1 18 LYS HG2 H 7.821 -5.617 -14.421 1.00 . A A . 17 LYS HG2 1 1 3 1320 1 1 18 LYS HG3 H 8.931 -4.238 -14.591 1.00 . A A . 17 LYS HG3 1 1 3 1321 1 1 18 LYS HZ1 H 10.941 -7.563 -12.726 1.00 . A A . 17 LYS HZ1 1 1 3 1322 1 1 18 LYS HZ2 H 11.647 -6.514 -11.511 1.00 . A A . 17 LYS HZ2 1 1 3 1323 1 1 18 LYS HZ3 H 12.410 -6.727 -13.071 1.00 . A A . 17 LYS HZ3 1 1 3 1324 1 1 18 LYS N N 7.265 -1.984 -11.747 1.00 . A A . 17 LYS N 1 1 3 1325 1 1 18 LYS NZ N 11.458 -6.627 -12.569 1.00 . A A . 17 LYS NZ 1 1 3 1326 1 1 18 LYS O O 8.265 -1.712 -15.118 1.00 . A A . 17 LYS O 1 1 3 1327 1 1 19 ARG C C 7.642 1.331 -15.108 1.00 . A A . 18 ARG C 1 1 3 1328 1 1 19 ARG CA C 6.487 0.360 -15.022 1.00 . A A . 18 ARG CA 1 1 3 1329 1 1 19 ARG CB C 5.123 1.107 -14.886 1.00 . A A . 18 ARG CB 1 1 3 1330 1 1 19 ARG CD C 2.991 -0.101 -15.694 1.00 . A A . 18 ARG CD 1 1 3 1331 1 1 19 ARG CG C 4.139 0.882 -16.069 1.00 . A A . 18 ARG CG 1 1 3 1332 1 1 19 ARG CZ C 0.775 -0.030 -14.626 1.00 . A A . 18 ARG CZ 1 1 3 1333 1 1 19 ARG H H 6.367 -0.276 -13.034 1.00 . A A . 18 ARG H 1 1 3 1334 1 1 19 ARG HA H 6.438 -0.284 -15.911 1.00 . A A . 18 ARG HA 1 1 3 1335 1 1 19 ARG HB2 H 4.597 0.833 -13.963 1.00 . A A . 18 ARG HB2 1 1 3 1336 1 1 19 ARG HB3 H 5.319 2.184 -14.826 1.00 . A A . 18 ARG HB3 1 1 3 1337 1 1 19 ARG HD2 H 2.624 -0.556 -16.627 1.00 . A A . 18 ARG HD2 1 1 3 1338 1 1 19 ARG HD3 H 3.413 -0.891 -15.054 1.00 . A A . 18 ARG HD3 1 1 3 1339 1 1 19 ARG HE H 1.882 1.602 -15.011 1.00 . A A . 18 ARG HE 1 1 3 1340 1 1 19 ARG HG2 H 3.717 1.855 -16.348 1.00 . A A . 18 ARG HG2 1 1 3 1341 1 1 19 ARG HG3 H 4.656 0.521 -16.970 1.00 . A A . 18 ARG HG3 1 1 3 1342 1 1 19 ARG HH11 H 1.392 -1.948 -14.957 1.00 . A A . 18 ARG HH11 1 1 3 1343 1 1 19 ARG HH12 H -0.198 -1.775 -14.232 1.00 . A A . 18 ARG HH12 1 1 3 1344 1 1 19 ARG HH21 H -0.182 1.735 -14.211 1.00 . A A . 18 ARG HH21 1 1 3 1345 1 1 19 ARG HH22 H -1.062 0.269 -13.787 1.00 . A A . 18 ARG HH22 1 1 3 1346 1 1 19 ARG N N 6.792 -0.511 -13.904 1.00 . A A . 18 ARG N 1 1 3 1347 1 1 19 ARG NE N 1.846 0.579 -15.076 1.00 . A A . 18 ARG NE 1 1 3 1348 1 1 19 ARG NH1 N 0.652 -1.331 -14.605 1.00 . A A . 18 ARG NH1 1 1 3 1349 1 1 19 ARG NH2 N -0.212 0.702 -14.172 1.00 . A A . 18 ARG NH2 1 1 3 1350 1 1 19 ARG O O 7.775 2.191 -14.251 1.00 . A A . 18 ARG O 1 1 3 1351 1 1 20 LEU C C 8.948 3.546 -16.545 1.00 . A A . 19 LEU C 1 1 3 1352 1 1 20 LEU CA C 9.551 2.184 -16.349 1.00 . A A . 19 LEU CA 1 1 3 1353 1 1 20 LEU CB C 10.398 1.853 -17.607 1.00 . A A . 19 LEU CB 1 1 3 1354 1 1 20 LEU CD1 C 10.775 -0.638 -18.222 1.00 . A A . 19 LEU CD1 1 1 3 1355 1 1 20 LEU CD2 C 12.746 0.876 -17.787 1.00 . A A . 19 LEU CD2 1 1 3 1356 1 1 20 LEU CG C 11.274 0.581 -17.402 1.00 . A A . 19 LEU CG 1 1 3 1357 1 1 20 LEU H H 8.377 0.480 -16.814 1.00 . A A . 19 LEU H 1 1 3 1358 1 1 20 LEU HA H 10.197 2.237 -15.458 1.00 . A A . 19 LEU HA 1 1 3 1359 1 1 20 LEU HB2 H 9.742 1.746 -18.485 1.00 . A A . 19 LEU HB2 1 1 3 1360 1 1 20 LEU HB3 H 11.047 2.725 -17.790 1.00 . A A . 19 LEU HB3 1 1 3 1361 1 1 20 LEU HD11 H 9.697 -0.810 -18.117 1.00 . A A . 19 LEU HD11 1 1 3 1362 1 1 20 LEU HD12 H 11.293 -1.544 -17.873 1.00 . A A . 19 LEU HD12 1 1 3 1363 1 1 20 LEU HD13 H 10.995 -0.494 -19.290 1.00 . A A . 19 LEU HD13 1 1 3 1364 1 1 20 LEU HD21 H 13.359 -0.030 -17.663 1.00 . A A . 19 LEU HD21 1 1 3 1365 1 1 20 LEU HD22 H 13.159 1.666 -17.141 1.00 . A A . 19 LEU HD22 1 1 3 1366 1 1 20 LEU HD23 H 12.806 1.205 -18.835 1.00 . A A . 19 LEU HD23 1 1 3 1367 1 1 20 LEU HG H 11.263 0.295 -16.338 1.00 . A A . 19 LEU HG 1 1 3 1368 1 1 20 LEU N N 8.491 1.208 -16.147 1.00 . A A . 19 LEU N 1 1 3 1369 1 1 20 LEU O O 9.642 4.516 -16.294 1.00 . A A . 19 LEU O 1 1 3 1370 1 1 21 LYS C C 5.633 4.939 -16.922 1.00 . A A . 20 LYS C 1 1 3 1371 1 1 21 LYS CA C 7.110 4.978 -17.165 1.00 . A A . 20 LYS CA 1 1 3 1372 1 1 21 LYS CB C 7.420 5.514 -18.581 1.00 . A A . 20 LYS CB 1 1 3 1373 1 1 21 LYS CD C 7.669 4.305 -20.845 1.00 . A A . 20 LYS CD 1 1 3 1374 1 1 21 LYS CE C 7.152 3.085 -21.649 1.00 . A A . 20 LYS CE 1 1 3 1375 1 1 21 LYS CG C 6.716 4.656 -19.673 1.00 . A A . 20 LYS CG 1 1 3 1376 1 1 21 LYS H H 7.096 2.870 -17.191 1.00 . A A . 20 LYS H 1 1 3 1377 1 1 21 LYS HA H 7.516 5.632 -16.383 1.00 . A A . 20 LYS HA 1 1 3 1378 1 1 21 LYS HB2 H 7.082 6.555 -18.653 1.00 . A A . 20 LYS HB2 1 1 3 1379 1 1 21 LYS HB3 H 8.514 5.520 -18.693 1.00 . A A . 20 LYS HB3 1 1 3 1380 1 1 21 LYS HD2 H 7.787 5.181 -21.502 1.00 . A A . 20 LYS HD2 1 1 3 1381 1 1 21 LYS HD3 H 8.654 4.024 -20.444 1.00 . A A . 20 LYS HD3 1 1 3 1382 1 1 21 LYS HE2 H 7.021 2.227 -20.968 1.00 . A A . 20 LYS HE2 1 1 3 1383 1 1 21 LYS HE3 H 6.178 3.320 -22.107 1.00 . A A . 20 LYS HE3 1 1 3 1384 1 1 21 LYS HG2 H 6.372 3.709 -19.241 1.00 . A A . 20 LYS HG2 1 1 3 1385 1 1 21 LYS HG3 H 5.823 5.179 -20.054 1.00 . A A . 20 LYS HG3 1 1 3 1386 1 1 21 LYS HZ1 H 7.828 1.744 -23.135 1.00 . A A . 20 LYS HZ1 1 1 3 1387 1 1 21 LYS HZ2 H 9.113 2.546 -22.285 1.00 . A A . 20 LYS HZ2 1 1 3 1388 1 1 21 LYS HZ3 H 8.175 3.429 -23.470 1.00 . A A . 20 LYS HZ3 1 1 3 1389 1 1 21 LYS N N 7.677 3.655 -16.983 1.00 . A A . 20 LYS N 1 1 3 1390 1 1 21 LYS NZ N 8.120 2.684 -22.690 1.00 . A A . 20 LYS NZ 1 1 3 1391 1 1 21 LYS O O 5.055 3.865 -16.935 1.00 . A A . 20 LYS O 1 1 3 1392 1 1 22 CYS C C 2.818 5.497 -17.446 1.00 . A A . 21 CYS C 1 1 3 1393 1 1 22 CYS CA C 3.622 6.120 -16.334 1.00 . A A . 21 CYS CA 1 1 3 1394 1 1 22 CYS CB C 3.189 7.573 -16.046 1.00 . A A . 21 CYS CB 1 1 3 1395 1 1 22 CYS H H 5.523 6.984 -16.704 1.00 . A A . 21 CYS H 1 1 3 1396 1 1 22 CYS HA H 3.487 5.532 -15.413 1.00 . A A . 21 CYS HA 1 1 3 1397 1 1 22 CYS HB2 H 3.820 8.047 -15.279 1.00 . A A . 21 CYS HB2 1 1 3 1398 1 1 22 CYS HB3 H 3.204 8.189 -16.957 1.00 . A A . 21 CYS HB3 1 1 3 1399 1 1 22 CYS N N 5.027 6.112 -16.681 1.00 . A A . 21 CYS N 1 1 3 1400 1 1 22 CYS O O 3.020 5.872 -18.590 1.00 . A A . 21 CYS O 1 1 3 1401 1 1 22 CYS SG S 1.524 7.466 -15.375 1.00 . A A . 21 CYS SG 1 1 3 1402 1 1 23 PHE C C -0.172 4.705 -18.484 1.00 . A A . 22 PHE C 1 1 3 1403 1 1 23 PHE CA C 1.097 3.939 -18.201 1.00 . A A . 22 PHE CA 1 1 3 1404 1 1 23 PHE CB C 0.733 2.510 -17.740 1.00 . A A . 22 PHE CB 1 1 3 1405 1 1 23 PHE CD1 C 1.866 1.183 -19.551 1.00 . A A . 22 PHE CD1 1 1 3 1406 1 1 23 PHE CD2 C -0.517 0.879 -19.240 1.00 . A A . 22 PHE CD2 1 1 3 1407 1 1 23 PHE CE1 C 1.854 0.256 -20.592 1.00 . A A . 22 PHE CE1 1 1 3 1408 1 1 23 PHE CE2 C -0.523 -0.065 -20.268 1.00 . A A . 22 PHE CE2 1 1 3 1409 1 1 23 PHE CG C 0.681 1.500 -18.880 1.00 . A A . 22 PHE CG 1 1 3 1410 1 1 23 PHE CZ C 0.657 -0.371 -20.948 1.00 . A A . 22 PHE CZ 1 1 3 1411 1 1 23 PHE H H 1.691 4.315 -16.191 1.00 . A A . 22 PHE H 1 1 3 1412 1 1 23 PHE HA H 1.682 3.882 -19.130 1.00 . A A . 22 PHE HA 1 1 3 1413 1 1 23 PHE HB2 H 1.571 2.136 -17.155 1.00 . A A . 22 PHE HB2 1 1 3 1414 1 1 23 PHE HB3 H -0.164 2.503 -17.101 1.00 . A A . 22 PHE HB3 1 1 3 1415 1 1 23 PHE HD1 H 2.803 1.653 -19.266 1.00 . A A . 22 PHE HD1 1 1 3 1416 1 1 23 PHE HD2 H -1.439 1.122 -18.722 1.00 . A A . 22 PHE HD2 1 1 3 1417 1 1 23 PHE HE1 H 2.772 0.022 -21.120 1.00 . A A . 22 PHE HE1 1 1 3 1418 1 1 23 PHE HE2 H -1.450 -0.560 -20.540 1.00 . A A . 22 PHE HE2 1 1 3 1419 1 1 23 PHE HZ H 0.647 -1.095 -21.755 1.00 . A A . 22 PHE HZ 1 1 3 1420 1 1 23 PHE N N 1.895 4.556 -17.144 1.00 . A A . 22 PHE N 1 1 3 1421 1 1 23 PHE O O -1.020 4.199 -19.201 1.00 . A A . 22 PHE O 1 1 3 1422 1 1 24 ARG C C -1.085 8.004 -18.850 1.00 . A A . 23 ARG C 1 1 3 1423 1 1 24 ARG CA C -1.475 6.756 -18.099 1.00 . A A . 23 ARG CA 1 1 3 1424 1 1 24 ARG CB C -2.051 7.071 -16.696 1.00 . A A . 23 ARG CB 1 1 3 1425 1 1 24 ARG CD C -4.315 8.000 -17.540 1.00 . A A . 23 ARG CD 1 1 3 1426 1 1 24 ARG CG C -3.051 8.253 -16.676 1.00 . A A . 23 ARG CG 1 1 3 1427 1 1 24 ARG CZ C -6.744 7.954 -17.308 1.00 . A A . 23 ARG CZ 1 1 3 1428 1 1 24 ARG H H 0.405 6.284 -17.335 1.00 . A A . 23 ARG H 1 1 3 1429 1 1 24 ARG HA H -2.225 6.218 -18.693 1.00 . A A . 23 ARG HA 1 1 3 1430 1 1 24 ARG HB2 H -2.520 6.146 -16.343 1.00 . A A . 23 ARG HB2 1 1 3 1431 1 1 24 ARG HB3 H -1.244 7.335 -15.997 1.00 . A A . 23 ARG HB3 1 1 3 1432 1 1 24 ARG HD2 H -4.357 8.853 -18.234 1.00 . A A . 23 ARG HD2 1 1 3 1433 1 1 24 ARG HD3 H -4.238 7.067 -18.111 1.00 . A A . 23 ARG HD3 1 1 3 1434 1 1 24 ARG HE H -5.469 7.761 -15.747 1.00 . A A . 23 ARG HE 1 1 3 1435 1 1 24 ARG HG2 H -3.340 8.446 -15.634 1.00 . A A . 23 ARG HG2 1 1 3 1436 1 1 24 ARG HG3 H -2.534 9.160 -17.028 1.00 . A A . 23 ARG HG3 1 1 3 1437 1 1 24 ARG HH11 H -6.170 8.097 -19.269 1.00 . A A . 23 ARG HH11 1 1 3 1438 1 1 24 ARG HH12 H -7.897 8.141 -18.979 1.00 . A A . 23 ARG HH12 1 1 3 1439 1 1 24 ARG HH21 H -7.687 7.790 -15.503 1.00 . A A . 23 ARG HH21 1 1 3 1440 1 1 24 ARG HH22 H -8.744 7.939 -16.903 1.00 . A A . 23 ARG HH22 1 1 3 1441 1 1 24 ARG N N -0.304 5.919 -17.913 1.00 . A A . 23 ARG N 1 1 3 1442 1 1 24 ARG NE N -5.551 7.887 -16.767 1.00 . A A . 23 ARG NE 1 1 3 1443 1 1 24 ARG NH1 N -6.945 8.076 -18.597 1.00 . A A . 23 ARG NH1 1 1 3 1444 1 1 24 ARG NH2 N -7.789 7.890 -16.523 1.00 . A A . 23 ARG NH2 1 1 3 1445 1 1 24 ARG O O -1.685 8.252 -19.883 1.00 . A A . 23 ARG O 1 1 3 1446 1 1 25 CYS C C 1.564 9.623 -19.955 1.00 . A A . 24 CYS C 1 1 3 1447 1 1 25 CYS CA C 0.350 9.956 -19.117 1.00 . A A . 24 CYS CA 1 1 3 1448 1 1 25 CYS CB C 0.631 11.156 -18.176 1.00 . A A . 24 CYS CB 1 1 3 1449 1 1 25 CYS H H 0.352 8.603 -17.501 1.00 . A A . 24 CYS H 1 1 3 1450 1 1 25 CYS HA H -0.452 10.304 -19.785 1.00 . A A . 24 CYS HA 1 1 3 1451 1 1 25 CYS HB2 H 0.636 12.097 -18.743 1.00 . A A . 24 CYS HB2 1 1 3 1452 1 1 25 CYS HB3 H -0.155 11.203 -17.414 1.00 . A A . 24 CYS HB3 1 1 3 1453 1 1 25 CYS N N -0.106 8.797 -18.361 1.00 . A A . 24 CYS N 1 1 3 1454 1 1 25 CYS O O 1.881 10.425 -20.817 1.00 . A A . 24 CYS O 1 1 3 1455 1 1 25 CYS SG S 2.226 11.094 -17.326 1.00 . A A . 24 CYS SG 1 1 3 1456 1 1 26 GLY C C 4.725 8.752 -19.804 1.00 . A A . 25 GLY C 1 1 3 1457 1 1 26 GLY CA C 3.494 8.228 -20.506 1.00 . A A . 25 GLY CA 1 1 3 1458 1 1 26 GLY H H 2.037 7.815 -19.043 1.00 . A A . 25 GLY H 1 1 3 1459 1 1 26 GLY HA2 H 3.607 7.143 -20.651 1.00 . A A . 25 GLY HA2 1 1 3 1460 1 1 26 GLY HA3 H 3.442 8.679 -21.507 1.00 . A A . 25 GLY HA3 1 1 3 1461 1 1 26 GLY N N 2.277 8.490 -19.740 1.00 . A A . 25 GLY N 1 1 3 1462 1 1 26 GLY O O 5.764 8.119 -19.879 1.00 . A A . 25 GLY O 1 1 3 1463 1 1 27 ALA C C 6.467 9.562 -17.514 1.00 . A A . 26 ALA C 1 1 3 1464 1 1 27 ALA CA C 5.797 10.511 -18.478 1.00 . A A . 26 ALA CA 1 1 3 1465 1 1 27 ALA CB C 5.455 11.807 -17.694 1.00 . A A . 26 ALA CB 1 1 3 1466 1 1 27 ALA H H 3.809 10.457 -19.208 1.00 . A A . 26 ALA H 1 1 3 1467 1 1 27 ALA HA H 6.495 10.782 -19.283 1.00 . A A . 26 ALA HA 1 1 3 1468 1 1 27 ALA HB1 H 4.716 12.417 -18.235 1.00 . A A . 26 ALA HB1 1 1 3 1469 1 1 27 ALA HB2 H 5.056 11.560 -16.698 1.00 . A A . 26 ALA HB2 1 1 3 1470 1 1 27 ALA HB3 H 6.365 12.410 -17.563 1.00 . A A . 26 ALA HB3 1 1 3 1471 1 1 27 ALA N N 4.641 9.925 -19.146 1.00 . A A . 26 ALA N 1 1 3 1472 1 1 27 ALA O O 5.815 8.708 -16.935 1.00 . A A . 26 ALA O 1 1 3 1473 1 1 28 ASP C C 8.228 9.090 -15.006 1.00 . A A . 27 ASP C 1 1 3 1474 1 1 28 ASP CA C 8.502 8.777 -16.457 1.00 . A A . 27 ASP CA 1 1 3 1475 1 1 28 ASP CB C 10.024 8.777 -16.740 1.00 . A A . 27 ASP CB 1 1 3 1476 1 1 28 ASP CG C 10.614 7.431 -16.434 1.00 . A A . 27 ASP CG 1 1 3 1477 1 1 28 ASP H H 8.313 10.418 -17.794 1.00 . A A . 27 ASP H 1 1 3 1478 1 1 28 ASP HA H 8.139 7.774 -16.699 1.00 . A A . 27 ASP HA 1 1 3 1479 1 1 28 ASP HB2 H 10.210 8.988 -17.803 1.00 . A A . 27 ASP HB2 1 1 3 1480 1 1 28 ASP HB3 H 10.525 9.548 -16.138 1.00 . A A . 27 ASP HB3 1 1 3 1481 1 1 28 ASP N N 7.796 9.702 -17.329 1.00 . A A . 27 ASP N 1 1 3 1482 1 1 28 ASP O O 7.909 10.225 -14.687 1.00 . A A . 27 ASP O 1 1 3 1483 1 1 28 ASP OD1 O 10.671 7.083 -15.223 1.00 . A A . 27 ASP OD1 1 1 3 1484 1 1 28 ASP OD2 O 11.018 6.733 -17.404 1.00 . A A . 27 ASP OD2 1 1 3 1485 1 1 29 LYS C C 9.182 9.427 -12.186 1.00 . A A . 28 LYS C 1 1 3 1486 1 1 29 LYS CA C 8.197 8.393 -12.678 1.00 . A A . 28 LYS CA 1 1 3 1487 1 1 29 LYS CB C 8.372 7.132 -11.798 1.00 . A A . 28 LYS CB 1 1 3 1488 1 1 29 LYS CD C 10.431 6.078 -10.686 1.00 . A A . 28 LYS CD 1 1 3 1489 1 1 29 LYS CE C 9.671 5.019 -9.851 1.00 . A A . 28 LYS CE 1 1 3 1490 1 1 29 LYS CG C 9.724 6.400 -12.020 1.00 . A A . 28 LYS CG 1 1 3 1491 1 1 29 LYS H H 8.663 7.187 -14.381 1.00 . A A . 28 LYS H 1 1 3 1492 1 1 29 LYS HA H 7.178 8.784 -12.516 1.00 . A A . 28 LYS HA 1 1 3 1493 1 1 29 LYS HB2 H 8.238 7.444 -10.751 1.00 . A A . 28 LYS HB2 1 1 3 1494 1 1 29 LYS HB3 H 7.576 6.423 -12.037 1.00 . A A . 28 LYS HB3 1 1 3 1495 1 1 29 LYS HD2 H 11.442 5.703 -10.910 1.00 . A A . 28 LYS HD2 1 1 3 1496 1 1 29 LYS HD3 H 10.528 7.005 -10.103 1.00 . A A . 28 LYS HD3 1 1 3 1497 1 1 29 LYS HE2 H 8.610 5.283 -9.738 1.00 . A A . 28 LYS HE2 1 1 3 1498 1 1 29 LYS HE3 H 9.735 4.047 -10.366 1.00 . A A . 28 LYS HE3 1 1 3 1499 1 1 29 LYS HG2 H 9.566 5.470 -12.592 1.00 . A A . 28 LYS HG2 1 1 3 1500 1 1 29 LYS HG3 H 10.420 7.028 -12.589 1.00 . A A . 28 LYS HG3 1 1 3 1501 1 1 29 LYS HZ1 H 9.906 4.068 -7.980 1.00 . A A . 28 LYS HZ1 1 1 3 1502 1 1 29 LYS HZ2 H 10.020 5.802 -7.922 1.00 . A A . 28 LYS HZ2 1 1 3 1503 1 1 29 LYS HZ3 H 11.358 4.876 -8.558 1.00 . A A . 28 LYS HZ3 1 1 3 1504 1 1 29 LYS N N 8.374 8.104 -14.097 1.00 . A A . 28 LYS N 1 1 3 1505 1 1 29 LYS NZ N 10.280 4.931 -8.508 1.00 . A A . 28 LYS NZ 1 1 3 1506 1 1 29 LYS O O 8.914 10.047 -11.169 1.00 . A A . 28 LYS O 1 1 3 1507 1 1 30 PHE C C 11.159 11.867 -13.351 1.00 . A A . 29 PHE C 1 1 3 1508 1 1 30 PHE CA C 11.289 10.633 -12.488 1.00 . A A . 29 PHE CA 1 1 3 1509 1 1 30 PHE CB C 12.709 10.000 -12.549 1.00 . A A . 29 PHE CB 1 1 3 1510 1 1 30 PHE CD1 C 12.816 9.464 -10.078 1.00 . A A . 29 PHE CD1 1 1 3 1511 1 1 30 PHE CD2 C 14.656 10.686 -11.053 1.00 . A A . 29 PHE CD2 1 1 3 1512 1 1 30 PHE CE1 C 13.461 9.467 -8.840 1.00 . A A . 29 PHE CE1 1 1 3 1513 1 1 30 PHE CE2 C 15.303 10.690 -9.815 1.00 . A A . 29 PHE CE2 1 1 3 1514 1 1 30 PHE CG C 13.416 10.058 -11.193 1.00 . A A . 29 PHE CG 1 1 3 1515 1 1 30 PHE CZ C 14.709 10.078 -8.710 1.00 . A A . 29 PHE CZ 1 1 3 1516 1 1 30 PHE H H 10.519 9.110 -13.723 1.00 . A A . 29 PHE H 1 1 3 1517 1 1 30 PHE HA H 11.103 10.996 -11.465 1.00 . A A . 29 PHE HA 1 1 3 1518 1 1 30 PHE HB2 H 12.643 8.926 -12.783 1.00 . A A . 29 PHE HB2 1 1 3 1519 1 1 30 PHE HB3 H 13.313 10.467 -13.341 1.00 . A A . 29 PHE HB3 1 1 3 1520 1 1 30 PHE HD1 H 11.844 8.997 -10.172 1.00 . A A . 29 PHE HD1 1 1 3 1521 1 1 30 PHE HD2 H 15.125 11.171 -11.902 1.00 . A A . 29 PHE HD2 1 1 3 1522 1 1 30 PHE HE1 H 12.992 8.995 -7.984 1.00 . A A . 29 PHE HE1 1 1 3 1523 1 1 30 PHE HE2 H 16.271 11.169 -9.714 1.00 . A A . 29 PHE HE2 1 1 3 1524 1 1 30 PHE HZ H 15.215 10.078 -7.752 1.00 . A A . 29 PHE HZ 1 1 3 1525 1 1 30 PHE N N 10.322 9.620 -12.887 1.00 . A A . 29 PHE N 1 1 3 1526 1 1 30 PHE O O 12.088 12.658 -13.362 1.00 . A A . 29 PHE O 1 1 3 1527 1 1 31 ASP C C 8.523 13.963 -14.628 1.00 . A A . 30 ASP C 1 1 3 1528 1 1 31 ASP CA C 9.832 13.243 -14.885 1.00 . A A . 30 ASP CA 1 1 3 1529 1 1 31 ASP CB C 9.893 12.777 -16.357 1.00 . A A . 30 ASP CB 1 1 3 1530 1 1 31 ASP CG C 10.314 13.886 -17.280 1.00 . A A . 30 ASP CG 1 1 3 1531 1 1 31 ASP H H 9.311 11.352 -14.112 1.00 . A A . 30 ASP H 1 1 3 1532 1 1 31 ASP HA H 10.637 13.973 -14.713 1.00 . A A . 30 ASP HA 1 1 3 1533 1 1 31 ASP HB2 H 10.637 11.974 -16.454 1.00 . A A . 30 ASP HB2 1 1 3 1534 1 1 31 ASP HB3 H 8.907 12.386 -16.643 1.00 . A A . 30 ASP HB3 1 1 3 1535 1 1 31 ASP N N 10.022 12.050 -14.065 1.00 . A A . 30 ASP N 1 1 3 1536 1 1 31 ASP O O 8.383 15.070 -15.119 1.00 . A A . 30 ASP O 1 1 3 1537 1 1 31 ASP OD1 O 11.501 14.303 -17.196 1.00 . A A . 30 ASP OD1 1 1 3 1538 1 1 31 ASP OD2 O 9.475 14.334 -18.107 1.00 . A A . 30 ASP OD2 1 1 3 1539 1 1 32 NH2 HN1 H 7.564 12.543 -13.440 1.00 . A A . 31 NH2 HN1 1 1 3 1540 1 1 32 NH2 HN2 H 6.690 13.975 -13.774 1.00 . A A . 31 NH2 HN2 1 1 3 1541 1 1 32 NH2 N N 7.523 13.436 -13.884 1.00 . A A . 31 NH2 N 1 1 3 1542 2 2 1 ZN ZN ZN 1.239 10.018 -15.225 1.00 . B A . 32 ZN ZN 1 1 4 1543 1 1 1 ACE C C -0.336 -0.263 -1.989 1.00 . A A . 0 ACE C 1 1 4 1544 1 1 1 ACE CH3 C -1.699 -0.451 -1.386 1.00 . A A . 0 ACE CH3 1 1 4 1545 1 1 1 ACE H1 H -1.836 0.264 -0.561 1.00 . A A . 0 ACE H1 1 1 4 1546 1 1 1 ACE H2 H -1.798 -1.476 -1.002 1.00 . A A . 0 ACE H2 1 1 4 1547 1 1 1 ACE H3 H -2.477 -0.275 -2.145 1.00 . A A . 0 ACE H3 1 1 4 1548 1 1 1 ACE O O -0.250 0.043 -3.167 1.00 . A A . 0 ACE O 1 1 4 1549 1 1 2 LYS C C 2.650 -1.565 -2.171 1.00 . A A . 1 LYS C 1 1 4 1550 1 1 2 LYS CA C 2.082 -0.237 -1.721 1.00 . A A . 1 LYS CA 1 1 4 1551 1 1 2 LYS CB C 2.973 0.425 -0.633 1.00 . A A . 1 LYS CB 1 1 4 1552 1 1 2 LYS CD C 5.484 1.082 -0.496 1.00 . A A . 1 LYS CD 1 1 4 1553 1 1 2 LYS CE C 5.492 1.954 0.789 1.00 . A A . 1 LYS CE 1 1 4 1554 1 1 2 LYS CG C 4.161 1.173 -1.297 1.00 . A A . 1 LYS CG 1 1 4 1555 1 1 2 LYS H H 0.637 -0.751 -0.245 1.00 . A A . 1 LYS H 1 1 4 1556 1 1 2 LYS HA H 2.042 0.445 -2.585 1.00 . A A . 1 LYS HA 1 1 4 1557 1 1 2 LYS HB2 H 2.375 1.155 -0.064 1.00 . A A . 1 LYS HB2 1 1 4 1558 1 1 2 LYS HB3 H 3.314 -0.342 0.079 1.00 . A A . 1 LYS HB3 1 1 4 1559 1 1 2 LYS HD2 H 5.701 0.030 -0.247 1.00 . A A . 1 LYS HD2 1 1 4 1560 1 1 2 LYS HD3 H 6.279 1.422 -1.177 1.00 . A A . 1 LYS HD3 1 1 4 1561 1 1 2 LYS HE2 H 4.624 2.633 0.802 1.00 . A A . 1 LYS HE2 1 1 4 1562 1 1 2 LYS HE3 H 5.423 1.304 1.677 1.00 . A A . 1 LYS HE3 1 1 4 1563 1 1 2 LYS HG2 H 4.373 0.730 -2.282 1.00 . A A . 1 LYS HG2 1 1 4 1564 1 1 2 LYS HG3 H 3.883 2.227 -1.462 1.00 . A A . 1 LYS HG3 1 1 4 1565 1 1 2 LYS HZ1 H 6.895 3.354 -0.020 1.00 . A A . 1 LYS HZ1 1 1 4 1566 1 1 2 LYS HZ2 H 7.587 2.153 1.061 1.00 . A A . 1 LYS HZ2 1 1 4 1567 1 1 2 LYS HZ3 H 6.644 3.490 1.682 1.00 . A A . 1 LYS HZ3 1 1 4 1568 1 1 2 LYS N N 0.739 -0.448 -1.193 1.00 . A A . 1 LYS N 1 1 4 1569 1 1 2 LYS NZ N 6.720 2.773 0.876 1.00 . A A . 1 LYS NZ 1 1 4 1570 1 1 2 LYS O O 3.757 -1.914 -1.790 1.00 . A A . 1 LYS O 1 1 4 1571 1 1 3 PHE C C 3.331 -3.537 -4.526 1.00 . A A . 2 PHE C 1 1 4 1572 1 1 3 PHE CA C 2.369 -3.670 -3.368 1.00 . A A . 2 PHE CA 1 1 4 1573 1 1 3 PHE CB C 1.151 -4.580 -3.688 1.00 . A A . 2 PHE CB 1 1 4 1574 1 1 3 PHE CD1 C 2.569 -6.718 -3.896 1.00 . A A . 2 PHE CD1 1 1 4 1575 1 1 3 PHE CD2 C 0.463 -6.834 -2.737 1.00 . A A . 2 PHE CD2 1 1 4 1576 1 1 3 PHE CE1 C 2.776 -8.078 -3.658 1.00 . A A . 2 PHE CE1 1 1 4 1577 1 1 3 PHE CE2 C 0.668 -8.194 -2.494 1.00 . A A . 2 PHE CE2 1 1 4 1578 1 1 3 PHE CG C 1.410 -6.079 -3.440 1.00 . A A . 2 PHE CG 1 1 4 1579 1 1 3 PHE CZ C 1.825 -8.821 -2.958 1.00 . A A . 2 PHE CZ 1 1 4 1580 1 1 3 PHE H H 1.056 -1.994 -3.390 1.00 . A A . 2 PHE H 1 1 4 1581 1 1 3 PHE HA H 2.886 -4.136 -2.514 1.00 . A A . 2 PHE HA 1 1 4 1582 1 1 3 PHE HB2 H 0.341 -4.270 -3.011 1.00 . A A . 2 PHE HB2 1 1 4 1583 1 1 3 PHE HB3 H 0.793 -4.428 -4.717 1.00 . A A . 2 PHE HB3 1 1 4 1584 1 1 3 PHE HD1 H 3.329 -6.177 -4.442 1.00 . A A . 2 PHE HD1 1 1 4 1585 1 1 3 PHE HD2 H -0.450 -6.376 -2.371 1.00 . A A . 2 PHE HD2 1 1 4 1586 1 1 3 PHE HE1 H 3.679 -8.558 -4.021 1.00 . A A . 2 PHE HE1 1 1 4 1587 1 1 3 PHE HE2 H -0.073 -8.764 -1.944 1.00 . A A . 2 PHE HE2 1 1 4 1588 1 1 3 PHE HZ H 1.985 -9.878 -2.774 1.00 . A A . 2 PHE HZ 1 1 4 1589 1 1 3 PHE N N 1.907 -2.337 -2.990 1.00 . A A . 2 PHE N 1 1 4 1590 1 1 3 PHE O O 3.063 -4.052 -5.598 1.00 . A A . 2 PHE O 1 1 4 1591 1 1 4 GLU C C 4.859 -1.818 -6.479 1.00 . A A . 3 GLU C 1 1 4 1592 1 1 4 GLU CA C 5.445 -2.708 -5.402 1.00 . A A . 3 GLU CA 1 1 4 1593 1 1 4 GLU CB C 5.900 -4.124 -5.874 1.00 . A A . 3 GLU CB 1 1 4 1594 1 1 4 GLU CD C 8.139 -5.338 -5.865 1.00 . A A . 3 GLU CD 1 1 4 1595 1 1 4 GLU CG C 7.343 -4.202 -6.445 1.00 . A A . 3 GLU CG 1 1 4 1596 1 1 4 GLU H H 4.684 -2.453 -3.427 1.00 . A A . 3 GLU H 1 1 4 1597 1 1 4 GLU HA H 6.313 -2.184 -4.975 1.00 . A A . 3 GLU HA 1 1 4 1598 1 1 4 GLU HB2 H 5.862 -4.773 -4.987 1.00 . A A . 3 GLU HB2 1 1 4 1599 1 1 4 GLU HB3 H 5.210 -4.540 -6.624 1.00 . A A . 3 GLU HB3 1 1 4 1600 1 1 4 GLU HG2 H 7.316 -4.382 -7.529 1.00 . A A . 3 GLU HG2 1 1 4 1601 1 1 4 GLU HG3 H 7.912 -3.287 -6.243 1.00 . A A . 3 GLU HG3 1 1 4 1602 1 1 4 GLU N N 4.476 -2.853 -4.321 1.00 . A A . 3 GLU N 1 1 4 1603 1 1 4 GLU O O 4.644 -2.259 -7.597 1.00 . A A . 3 GLU O 1 1 4 1604 1 1 4 GLU OE1 O 7.680 -6.505 -5.980 1.00 . A A . 3 GLU OE1 1 1 4 1605 1 1 4 GLU OE2 O 9.233 -5.061 -5.303 1.00 . A A . 3 GLU OE2 1 1 4 1606 1 1 5 ASP C C 4.432 1.791 -6.834 1.00 . A A . 4 ASP C 1 1 4 1607 1 1 5 ASP CA C 4.017 0.372 -7.146 1.00 . A A . 4 ASP CA 1 1 4 1608 1 1 5 ASP CB C 2.472 0.291 -7.115 1.00 . A A . 4 ASP CB 1 1 4 1609 1 1 5 ASP CG C 1.934 -1.110 -7.181 1.00 . A A . 4 ASP CG 1 1 4 1610 1 1 5 ASP H H 4.754 -0.171 -5.234 1.00 . A A . 4 ASP H 1 1 4 1611 1 1 5 ASP HA H 4.390 0.137 -8.153 1.00 . A A . 4 ASP HA 1 1 4 1612 1 1 5 ASP HB2 H 2.118 0.744 -6.178 1.00 . A A . 4 ASP HB2 1 1 4 1613 1 1 5 ASP HB3 H 2.051 0.852 -7.959 1.00 . A A . 4 ASP HB3 1 1 4 1614 1 1 5 ASP N N 4.599 -0.530 -6.157 1.00 . A A . 4 ASP N 1 1 4 1615 1 1 5 ASP O O 5.051 1.997 -5.802 1.00 . A A . 4 ASP O 1 1 4 1616 1 1 5 ASP OD1 O 1.834 -1.744 -6.098 1.00 . A A . 4 ASP OD1 1 1 4 1617 1 1 5 ASP OD2 O 1.581 -1.573 -8.299 1.00 . A A . 4 ASP OD2 1 1 4 1618 1 1 6 TRP C C 3.358 5.070 -7.968 1.00 . A A . 5 TRP C 1 1 4 1619 1 1 6 TRP CA C 4.432 4.164 -7.422 1.00 . A A . 5 TRP CA 1 1 4 1620 1 1 6 TRP CB C 5.794 4.521 -8.053 1.00 . A A . 5 TRP CB 1 1 4 1621 1 1 6 TRP CD1 C 6.264 2.897 -9.932 1.00 . A A . 5 TRP CD1 1 1 4 1622 1 1 6 TRP CD2 C 5.397 4.855 -10.697 1.00 . A A . 5 TRP CD2 1 1 4 1623 1 1 6 TRP CE2 C 5.722 4.008 -11.737 1.00 . A A . 5 TRP CE2 1 1 4 1624 1 1 6 TRP CE3 C 4.825 6.111 -10.906 1.00 . A A . 5 TRP CE3 1 1 4 1625 1 1 6 TRP CG C 5.826 4.081 -9.487 1.00 . A A . 5 TRP CG 1 1 4 1626 1 1 6 TRP CH2 C 5.056 5.673 -13.289 1.00 . A A . 5 TRP CH2 1 1 4 1627 1 1 6 TRP CZ2 C 5.565 4.390 -13.063 1.00 . A A . 5 TRP CZ2 1 1 4 1628 1 1 6 TRP CZ3 C 4.644 6.491 -12.235 1.00 . A A . 5 TRP CZ3 1 1 4 1629 1 1 6 TRP H H 3.651 2.563 -8.575 1.00 . A A . 5 TRP H 1 1 4 1630 1 1 6 TRP HA H 4.481 4.341 -6.337 1.00 . A A . 5 TRP HA 1 1 4 1631 1 1 6 TRP HB2 H 6.011 5.597 -7.997 1.00 . A A . 5 TRP HB2 1 1 4 1632 1 1 6 TRP HB3 H 6.579 3.981 -7.501 1.00 . A A . 5 TRP HB3 1 1 4 1633 1 1 6 TRP HD1 H 6.602 2.157 -9.222 1.00 . A A . 5 TRP HD1 1 1 4 1634 1 1 6 TRP HE1 H 6.468 2.034 -11.811 1.00 . A A . 5 TRP HE1 1 1 4 1635 1 1 6 TRP HE3 H 4.558 6.745 -10.076 1.00 . A A . 5 TRP HE3 1 1 4 1636 1 1 6 TRP HH2 H 4.984 6.055 -14.292 1.00 . A A . 5 TRP HH2 1 1 4 1637 1 1 6 TRP HZ2 H 5.821 3.747 -13.889 1.00 . A A . 5 TRP HZ2 1 1 4 1638 1 1 6 TRP HZ3 H 4.192 7.436 -12.488 1.00 . A A . 5 TRP HZ3 1 1 4 1639 1 1 6 TRP N N 4.104 2.771 -7.704 1.00 . A A . 5 TRP N 1 1 4 1640 1 1 6 TRP NE1 N 6.195 2.847 -11.236 1.00 . A A . 5 TRP NE1 1 1 4 1641 1 1 6 TRP O O 2.547 4.602 -8.752 1.00 . A A . 5 TRP O 1 1 4 1642 1 1 7 LEU C C 2.901 8.286 -8.922 1.00 . A A . 6 LEU C 1 1 4 1643 1 1 7 LEU CA C 2.328 7.305 -7.936 1.00 . A A . 6 LEU CA 1 1 4 1644 1 1 7 LEU CB C 1.790 8.060 -6.693 1.00 . A A . 6 LEU CB 1 1 4 1645 1 1 7 LEU CD1 C -0.142 9.174 -7.969 1.00 . A A . 6 LEU CD1 1 1 4 1646 1 1 7 LEU CD2 C 0.621 10.087 -5.721 1.00 . A A . 6 LEU CD2 1 1 4 1647 1 1 7 LEU CG C 1.071 9.395 -7.030 1.00 . A A . 6 LEU CG 1 1 4 1648 1 1 7 LEU H H 4.086 6.693 -6.939 1.00 . A A . 6 LEU H 1 1 4 1649 1 1 7 LEU HA H 1.477 6.783 -8.379 1.00 . A A . 6 LEU HA 1 1 4 1650 1 1 7 LEU HB2 H 1.103 7.390 -6.152 1.00 . A A . 6 LEU HB2 1 1 4 1651 1 1 7 LEU HB3 H 2.628 8.300 -6.025 1.00 . A A . 6 LEU HB3 1 1 4 1652 1 1 7 LEU HD11 H -0.550 8.156 -7.893 1.00 . A A . 6 LEU HD11 1 1 4 1653 1 1 7 LEU HD12 H 0.155 9.350 -9.009 1.00 . A A . 6 LEU HD12 1 1 4 1654 1 1 7 LEU HD13 H -0.944 9.880 -7.717 1.00 . A A . 6 LEU HD13 1 1 4 1655 1 1 7 LEU HD21 H 0.156 11.060 -5.943 1.00 . A A . 6 LEU HD21 1 1 4 1656 1 1 7 LEU HD22 H 1.490 10.267 -5.071 1.00 . A A . 6 LEU HD22 1 1 4 1657 1 1 7 LEU HD23 H -0.103 9.453 -5.189 1.00 . A A . 6 LEU HD23 1 1 4 1658 1 1 7 LEU HG H 1.776 10.100 -7.499 1.00 . A A . 6 LEU HG 1 1 4 1659 1 1 7 LEU N N 3.360 6.353 -7.537 1.00 . A A . 6 LEU N 1 1 4 1660 1 1 7 LEU O O 3.930 8.876 -8.635 1.00 . A A . 6 LEU O 1 1 4 1661 1 1 8 CYS C C 2.656 10.873 -10.589 1.00 . A A . 7 CYS C 1 1 4 1662 1 1 8 CYS CA C 2.767 9.436 -11.045 1.00 . A A . 7 CYS CA 1 1 4 1663 1 1 8 CYS CB C 1.972 9.241 -12.354 1.00 . A A . 7 CYS CB 1 1 4 1664 1 1 8 CYS H H 1.434 7.945 -10.339 1.00 . A A . 7 CYS H 1 1 4 1665 1 1 8 CYS HA H 3.833 9.227 -11.203 1.00 . A A . 7 CYS HA 1 1 4 1666 1 1 8 CYS HB2 H 1.940 8.191 -12.681 1.00 . A A . 7 CYS HB2 1 1 4 1667 1 1 8 CYS HB3 H 0.950 9.610 -12.228 1.00 . A A . 7 CYS HB3 1 1 4 1668 1 1 8 CYS N N 2.255 8.469 -10.091 1.00 . A A . 7 CYS N 1 1 4 1669 1 1 8 CYS O O 1.724 11.200 -9.873 1.00 . A A . 7 CYS O 1 1 4 1670 1 1 8 CYS SG S 2.741 10.206 -13.654 1.00 . A A . 7 CYS SG 1 1 4 1671 1 1 9 ASN C C 2.919 14.021 -11.674 1.00 . A A . 8 ASN C 1 1 4 1672 1 1 9 ASN CA C 3.579 13.158 -10.615 1.00 . A A . 8 ASN CA 1 1 4 1673 1 1 9 ASN CB C 5.032 13.629 -10.305 1.00 . A A . 8 ASN CB 1 1 4 1674 1 1 9 ASN CG C 5.152 14.108 -8.880 1.00 . A A . 8 ASN CG 1 1 4 1675 1 1 9 ASN H H 4.296 11.465 -11.678 1.00 . A A . 8 ASN H 1 1 4 1676 1 1 9 ASN HA H 2.982 13.282 -9.697 1.00 . A A . 8 ASN HA 1 1 4 1677 1 1 9 ASN HB2 H 5.748 12.811 -10.468 1.00 . A A . 8 ASN HB2 1 1 4 1678 1 1 9 ASN HB3 H 5.352 14.448 -10.964 1.00 . A A . 8 ASN HB3 1 1 4 1679 1 1 9 ASN HD21 H 6.068 12.398 -8.184 1.00 . A A . 8 ASN HD21 1 1 4 1680 1 1 9 ASN HD22 H 5.801 13.642 -7.015 1.00 . A A . 8 ASN HD22 1 1 4 1681 1 1 9 ASN N N 3.596 11.751 -11.021 1.00 . A A . 8 ASN N 1 1 4 1682 1 1 9 ASN ND2 N 5.722 13.307 -7.954 1.00 . A A . 8 ASN ND2 1 1 4 1683 1 1 9 ASN O O 3.242 15.192 -11.792 1.00 . A A . 8 ASN O 1 1 4 1684 1 1 9 ASN OD1 O 4.727 15.214 -8.588 1.00 . A A . 8 ASN OD1 1 1 4 1685 1 1 10 LYS C C -0.100 13.904 -13.615 1.00 . A A . 9 LYS C 1 1 4 1686 1 1 10 LYS CA C 1.376 14.210 -13.568 1.00 . A A . 9 LYS CA 1 1 4 1687 1 1 10 LYS CB C 2.099 13.795 -14.879 1.00 . A A . 9 LYS CB 1 1 4 1688 1 1 10 LYS CD C 1.807 15.654 -16.626 1.00 . A A . 9 LYS CD 1 1 4 1689 1 1 10 LYS CE C 2.533 16.745 -17.460 1.00 . A A . 9 LYS CE 1 1 4 1690 1 1 10 LYS CG C 2.779 14.970 -15.628 1.00 . A A . 9 LYS CG 1 1 4 1691 1 1 10 LYS H H 1.732 12.507 -12.356 1.00 . A A . 9 LYS H 1 1 4 1692 1 1 10 LYS HA H 1.447 15.296 -13.404 1.00 . A A . 9 LYS HA 1 1 4 1693 1 1 10 LYS HB2 H 2.885 13.069 -14.617 1.00 . A A . 9 LYS HB2 1 1 4 1694 1 1 10 LYS HB3 H 1.411 13.293 -15.574 1.00 . A A . 9 LYS HB3 1 1 4 1695 1 1 10 LYS HD2 H 1.448 14.889 -17.333 1.00 . A A . 9 LYS HD2 1 1 4 1696 1 1 10 LYS HD3 H 0.934 16.077 -16.103 1.00 . A A . 9 LYS HD3 1 1 4 1697 1 1 10 LYS HE2 H 3.564 16.417 -17.668 1.00 . A A . 9 LYS HE2 1 1 4 1698 1 1 10 LYS HE3 H 2.021 16.845 -18.431 1.00 . A A . 9 LYS HE3 1 1 4 1699 1 1 10 LYS HG2 H 3.206 15.698 -14.921 1.00 . A A . 9 LYS HG2 1 1 4 1700 1 1 10 LYS HG3 H 3.608 14.538 -16.209 1.00 . A A . 9 LYS HG3 1 1 4 1701 1 1 10 LYS HZ1 H 3.482 18.579 -16.974 1.00 . A A . 9 LYS HZ1 1 1 4 1702 1 1 10 LYS HZ2 H 2.419 18.010 -15.724 1.00 . A A . 9 LYS HZ2 1 1 4 1703 1 1 10 LYS HZ3 H 1.757 18.699 -17.181 1.00 . A A . 9 LYS HZ3 1 1 4 1704 1 1 10 LYS N N 1.979 13.463 -12.465 1.00 . A A . 9 LYS N 1 1 4 1705 1 1 10 LYS NZ N 2.546 18.067 -16.795 1.00 . A A . 9 LYS NZ 1 1 4 1706 1 1 10 LYS O O -0.904 14.794 -13.391 1.00 . A A . 9 LYS O 1 1 4 1707 1 1 11 CYS C C -2.339 11.764 -12.546 1.00 . A A . 10 CYS C 1 1 4 1708 1 1 11 CYS CA C -1.890 12.285 -13.893 1.00 . A A . 10 CYS CA 1 1 4 1709 1 1 11 CYS CB C -2.123 11.219 -14.977 1.00 . A A . 10 CYS CB 1 1 4 1710 1 1 11 CYS H H 0.200 11.931 -14.064 1.00 . A A . 10 CYS H 1 1 4 1711 1 1 11 CYS HA H -2.518 13.144 -14.170 1.00 . A A . 10 CYS HA 1 1 4 1712 1 1 11 CYS HB2 H -3.195 11.005 -15.057 1.00 . A A . 10 CYS HB2 1 1 4 1713 1 1 11 CYS HB3 H -1.747 11.562 -15.950 1.00 . A A . 10 CYS HB3 1 1 4 1714 1 1 11 CYS N N -0.477 12.641 -13.894 1.00 . A A . 10 CYS N 1 1 4 1715 1 1 11 CYS O O -3.515 11.475 -12.386 1.00 . A A . 10 CYS O 1 1 4 1716 1 1 11 CYS SG S -1.204 9.748 -14.476 1.00 . A A . 10 CYS SG 1 1 4 1717 1 1 12 CYS C C -2.321 9.804 -10.174 1.00 . A A . 11 CYS C 1 1 4 1718 1 1 12 CYS CA C -1.841 11.239 -10.219 1.00 . A A . 11 CYS CA 1 1 4 1719 1 1 12 CYS CB C -2.891 12.230 -9.661 1.00 . A A . 11 CYS CB 1 1 4 1720 1 1 12 CYS H H -0.459 11.820 -11.682 1.00 . A A . 11 CYS H 1 1 4 1721 1 1 12 CYS HA H -0.955 11.360 -9.580 1.00 . A A . 11 CYS HA 1 1 4 1722 1 1 12 CYS HB2 H -2.736 13.214 -10.129 1.00 . A A . 11 CYS HB2 1 1 4 1723 1 1 12 CYS HB3 H -3.916 11.889 -9.871 1.00 . A A . 11 CYS HB3 1 1 4 1724 1 1 12 CYS HG H -3.311 13.201 -7.735 1.00 . A A . 11 CYS HG 1 1 4 1725 1 1 12 CYS N N -1.430 11.637 -11.556 1.00 . A A . 11 CYS N 1 1 4 1726 1 1 12 CYS O O -3.068 9.463 -9.270 1.00 . A A . 11 CYS O 1 1 4 1727 1 1 12 CYS SG S -2.665 12.437 -7.863 1.00 . A A . 11 CYS SG 1 1 4 1728 1 1 13 LEU C C -1.287 6.638 -10.746 1.00 . A A . 12 LEU C 1 1 4 1729 1 1 13 LEU CA C -2.386 7.572 -11.193 1.00 . A A . 12 LEU CA 1 1 4 1730 1 1 13 LEU CB C -2.770 7.218 -12.651 1.00 . A A . 12 LEU CB 1 1 4 1731 1 1 13 LEU CD1 C -5.156 6.289 -12.991 1.00 . A A . 12 LEU CD1 1 1 4 1732 1 1 13 LEU CD2 C -3.165 5.029 -13.914 1.00 . A A . 12 LEU CD2 1 1 4 1733 1 1 13 LEU CG C -3.661 5.944 -12.772 1.00 . A A . 12 LEU CG 1 1 4 1734 1 1 13 LEU H H -1.264 9.226 -11.837 1.00 . A A . 12 LEU H 1 1 4 1735 1 1 13 LEU HA H -3.293 7.465 -10.580 1.00 . A A . 12 LEU HA 1 1 4 1736 1 1 13 LEU HB2 H -3.319 8.084 -13.032 1.00 . A A . 12 LEU HB2 1 1 4 1737 1 1 13 LEU HB3 H -1.846 7.114 -13.241 1.00 . A A . 12 LEU HB3 1 1 4 1738 1 1 13 LEU HD11 H -5.333 6.529 -14.048 1.00 . A A . 12 LEU HD11 1 1 4 1739 1 1 13 LEU HD12 H -5.465 7.138 -12.365 1.00 . A A . 12 LEU HD12 1 1 4 1740 1 1 13 LEU HD13 H -5.784 5.422 -12.735 1.00 . A A . 12 LEU HD13 1 1 4 1741 1 1 13 LEU HD21 H -3.162 5.606 -14.841 1.00 . A A . 12 LEU HD21 1 1 4 1742 1 1 13 LEU HD22 H -3.830 4.161 -14.035 1.00 . A A . 12 LEU HD22 1 1 4 1743 1 1 13 LEU HD23 H -2.144 4.673 -13.718 1.00 . A A . 12 LEU HD23 1 1 4 1744 1 1 13 LEU HG H -3.609 5.339 -11.863 1.00 . A A . 12 LEU HG 1 1 4 1745 1 1 13 LEU N N -1.907 8.947 -11.135 1.00 . A A . 12 LEU N 1 1 4 1746 1 1 13 LEU O O -0.123 6.913 -11.002 1.00 . A A . 12 LEU O 1 1 4 1747 1 1 14 ASN C C -0.091 3.778 -10.768 1.00 . A A . 13 ASN C 1 1 4 1748 1 1 14 ASN CA C -0.655 4.573 -9.621 1.00 . A A . 13 ASN CA 1 1 4 1749 1 1 14 ASN CB C -1.242 3.604 -8.559 1.00 . A A . 13 ASN CB 1 1 4 1750 1 1 14 ASN CG C -0.282 3.419 -7.418 1.00 . A A . 13 ASN CG 1 1 4 1751 1 1 14 ASN H H -2.611 5.349 -9.855 1.00 . A A . 13 ASN H 1 1 4 1752 1 1 14 ASN HA H 0.158 5.147 -9.176 1.00 . A A . 13 ASN HA 1 1 4 1753 1 1 14 ASN HB2 H -2.160 3.998 -8.101 1.00 . A A . 13 ASN HB2 1 1 4 1754 1 1 14 ASN HB3 H -1.487 2.640 -9.031 1.00 . A A . 13 ASN HB3 1 1 4 1755 1 1 14 ASN HD21 H -0.441 5.369 -6.795 1.00 . A A . 13 ASN HD21 1 1 4 1756 1 1 14 ASN HD22 H 0.626 4.367 -5.871 1.00 . A A . 13 ASN HD22 1 1 4 1757 1 1 14 ASN N N -1.655 5.531 -10.069 1.00 . A A . 13 ASN N 1 1 4 1758 1 1 14 ASN ND2 N -0.009 4.481 -6.633 1.00 . A A . 13 ASN ND2 1 1 4 1759 1 1 14 ASN O O -0.723 3.735 -11.810 1.00 . A A . 13 ASN O 1 1 4 1760 1 1 14 ASN OD1 O 0.213 2.325 -7.221 1.00 . A A . 13 ASN OD1 1 1 4 1761 1 1 15 ASN C C 2.560 1.258 -11.101 1.00 . A A . 14 ASN C 1 1 4 1762 1 1 15 ASN CA C 1.650 2.322 -11.657 1.00 . A A . 14 ASN CA 1 1 4 1763 1 1 15 ASN CB C 2.509 3.155 -12.628 1.00 . A A . 14 ASN CB 1 1 4 1764 1 1 15 ASN CG C 1.590 3.995 -13.465 1.00 . A A . 14 ASN CG 1 1 4 1765 1 1 15 ASN H H 1.599 3.217 -9.731 1.00 . A A . 14 ASN H 1 1 4 1766 1 1 15 ASN HA H 0.831 1.842 -12.215 1.00 . A A . 14 ASN HA 1 1 4 1767 1 1 15 ASN HB2 H 3.174 3.775 -12.018 1.00 . A A . 14 ASN HB2 1 1 4 1768 1 1 15 ASN HB3 H 3.113 2.504 -13.277 1.00 . A A . 14 ASN HB3 1 1 4 1769 1 1 15 ASN HD21 H 1.654 5.594 -12.169 1.00 . A A . 14 ASN HD21 1 1 4 1770 1 1 15 ASN HD22 H 0.528 5.708 -13.463 1.00 . A A . 14 ASN HD22 1 1 4 1771 1 1 15 ASN N N 1.085 3.136 -10.587 1.00 . A A . 14 ASN N 1 1 4 1772 1 1 15 ASN ND2 N 1.248 5.207 -12.996 1.00 . A A . 14 ASN ND2 1 1 4 1773 1 1 15 ASN O O 3.192 1.489 -10.082 1.00 . A A . 14 ASN O 1 1 4 1774 1 1 15 ASN OD1 O 1.164 3.549 -14.521 1.00 . A A . 14 ASN OD1 1 1 4 1775 1 1 16 PHE C C 4.840 -0.639 -11.074 1.00 . A A . 15 PHE C 1 1 4 1776 1 1 16 PHE CA C 3.392 -1.026 -11.262 1.00 . A A . 15 PHE CA 1 1 4 1777 1 1 16 PHE CB C 3.309 -2.291 -12.169 1.00 . A A . 15 PHE CB 1 1 4 1778 1 1 16 PHE CD1 C 1.358 -3.669 -11.312 1.00 . A A . 15 PHE CD1 1 1 4 1779 1 1 16 PHE CD2 C 3.594 -4.422 -10.802 1.00 . A A . 15 PHE CD2 1 1 4 1780 1 1 16 PHE CE1 C 0.832 -4.790 -10.667 1.00 . A A . 15 PHE CE1 1 1 4 1781 1 1 16 PHE CE2 C 3.070 -5.541 -10.153 1.00 . A A . 15 PHE CE2 1 1 4 1782 1 1 16 PHE CG C 2.742 -3.492 -11.404 1.00 . A A . 15 PHE CG 1 1 4 1783 1 1 16 PHE CZ C 1.687 -5.731 -10.090 1.00 . A A . 15 PHE CZ 1 1 4 1784 1 1 16 PHE H H 2.097 -0.022 -12.625 1.00 . A A . 15 PHE H 1 1 4 1785 1 1 16 PHE HA H 2.963 -1.275 -10.284 1.00 . A A . 15 PHE HA 1 1 4 1786 1 1 16 PHE HB2 H 2.664 -2.145 -13.047 1.00 . A A . 15 PHE HB2 1 1 4 1787 1 1 16 PHE HB3 H 4.303 -2.547 -12.562 1.00 . A A . 15 PHE HB3 1 1 4 1788 1 1 16 PHE HD1 H 0.682 -2.935 -11.738 1.00 . A A . 15 PHE HD1 1 1 4 1789 1 1 16 PHE HD2 H 4.667 -4.286 -10.833 1.00 . A A . 15 PHE HD2 1 1 4 1790 1 1 16 PHE HE1 H -0.242 -4.930 -10.612 1.00 . A A . 15 PHE HE1 1 1 4 1791 1 1 16 PHE HE2 H 3.737 -6.263 -9.693 1.00 . A A . 15 PHE HE2 1 1 4 1792 1 1 16 PHE HZ H 1.280 -6.604 -9.594 1.00 . A A . 15 PHE HZ 1 1 4 1793 1 1 16 PHE N N 2.620 0.095 -11.783 1.00 . A A . 15 PHE N 1 1 4 1794 1 1 16 PHE O O 5.348 0.174 -11.831 1.00 . A A . 15 PHE O 1 1 4 1795 1 1 17 ARG C C 7.772 -1.314 -11.168 1.00 . A A . 16 ARG C 1 1 4 1796 1 1 17 ARG CA C 6.977 -0.922 -9.954 1.00 . A A . 16 ARG CA 1 1 4 1797 1 1 17 ARG CB C 7.626 -1.525 -8.685 1.00 . A A . 16 ARG CB 1 1 4 1798 1 1 17 ARG CD C 9.033 0.472 -7.922 1.00 . A A . 16 ARG CD 1 1 4 1799 1 1 17 ARG CG C 7.854 -0.471 -7.574 1.00 . A A . 16 ARG CG 1 1 4 1800 1 1 17 ARG CZ C 10.283 0.546 -5.819 1.00 . A A . 16 ARG CZ 1 1 4 1801 1 1 17 ARG H H 5.101 -1.871 -9.465 1.00 . A A . 16 ARG H 1 1 4 1802 1 1 17 ARG HA H 7.087 0.158 -9.934 1.00 . A A . 16 ARG HA 1 1 4 1803 1 1 17 ARG HB2 H 6.959 -2.292 -8.298 1.00 . A A . 16 ARG HB2 1 1 4 1804 1 1 17 ARG HB3 H 8.578 -2.023 -8.925 1.00 . A A . 16 ARG HB3 1 1 4 1805 1 1 17 ARG HD2 H 9.855 -0.037 -8.445 1.00 . A A . 16 ARG HD2 1 1 4 1806 1 1 17 ARG HD3 H 8.690 1.260 -8.604 1.00 . A A . 16 ARG HD3 1 1 4 1807 1 1 17 ARG HE H 9.198 2.098 -6.558 1.00 . A A . 16 ARG HE 1 1 4 1808 1 1 17 ARG HG2 H 6.939 0.113 -7.394 1.00 . A A . 16 ARG HG2 1 1 4 1809 1 1 17 ARG HG3 H 8.089 -0.994 -6.638 1.00 . A A . 16 ARG HG3 1 1 4 1810 1 1 17 ARG HH11 H 10.439 -1.301 -6.697 1.00 . A A . 16 ARG HH11 1 1 4 1811 1 1 17 ARG HH12 H 11.314 -1.100 -5.194 1.00 . A A . 16 ARG HH12 1 1 4 1812 1 1 17 ARG HH21 H 10.360 2.222 -4.654 1.00 . A A . 16 ARG HH21 1 1 4 1813 1 1 17 ARG HH22 H 11.277 0.841 -4.062 1.00 . A A . 16 ARG HH22 1 1 4 1814 1 1 17 ARG N N 5.551 -1.227 -10.092 1.00 . A A . 16 ARG N 1 1 4 1815 1 1 17 ARG NE N 9.501 1.123 -6.703 1.00 . A A . 16 ARG NE 1 1 4 1816 1 1 17 ARG NH1 N 10.705 -0.691 -5.916 1.00 . A A . 16 ARG NH1 1 1 4 1817 1 1 17 ARG NH2 N 10.663 1.246 -4.781 1.00 . A A . 16 ARG NH2 1 1 4 1818 1 1 17 ARG O O 8.756 -0.659 -11.475 1.00 . A A . 16 ARG O 1 1 4 1819 1 1 18 LYS C C 7.732 -1.662 -14.201 1.00 . A A . 17 LYS C 1 1 4 1820 1 1 18 LYS CA C 8.008 -2.695 -13.136 1.00 . A A . 17 LYS CA 1 1 4 1821 1 1 18 LYS CB C 7.511 -4.066 -13.658 1.00 . A A . 17 LYS CB 1 1 4 1822 1 1 18 LYS CD C 7.945 -6.595 -13.527 1.00 . A A . 17 LYS CD 1 1 4 1823 1 1 18 LYS CE C 7.270 -7.617 -12.577 1.00 . A A . 17 LYS CE 1 1 4 1824 1 1 18 LYS CG C 8.193 -5.209 -12.869 1.00 . A A . 17 LYS CG 1 1 4 1825 1 1 18 LYS H H 6.561 -2.899 -11.577 1.00 . A A . 17 LYS H 1 1 4 1826 1 1 18 LYS HA H 9.099 -2.712 -12.990 1.00 . A A . 17 LYS HA 1 1 4 1827 1 1 18 LYS HB2 H 6.414 -4.147 -13.574 1.00 . A A . 17 LYS HB2 1 1 4 1828 1 1 18 LYS HB3 H 7.780 -4.154 -14.721 1.00 . A A . 17 LYS HB3 1 1 4 1829 1 1 18 LYS HD2 H 7.319 -6.505 -14.429 1.00 . A A . 17 LYS HD2 1 1 4 1830 1 1 18 LYS HD3 H 8.921 -6.994 -13.843 1.00 . A A . 17 LYS HD3 1 1 4 1831 1 1 18 LYS HE2 H 7.579 -7.465 -11.531 1.00 . A A . 17 LYS HE2 1 1 4 1832 1 1 18 LYS HE3 H 6.177 -7.483 -12.638 1.00 . A A . 17 LYS HE3 1 1 4 1833 1 1 18 LYS HG2 H 9.281 -5.040 -12.873 1.00 . A A . 17 LYS HG2 1 1 4 1834 1 1 18 LYS HG3 H 7.851 -5.167 -11.824 1.00 . A A . 17 LYS HG3 1 1 4 1835 1 1 18 LYS HZ1 H 6.948 -9.709 -12.548 1.00 . A A . 17 LYS HZ1 1 1 4 1836 1 1 18 LYS HZ2 H 8.626 -9.235 -12.561 1.00 . A A . 17 LYS HZ2 1 1 4 1837 1 1 18 LYS HZ3 H 7.678 -9.140 -14.027 1.00 . A A . 17 LYS HZ3 1 1 4 1838 1 1 18 LYS N N 7.350 -2.372 -11.878 1.00 . A A . 17 LYS N 1 1 4 1839 1 1 18 LYS NZ N 7.647 -8.995 -12.957 1.00 . A A . 17 LYS NZ 1 1 4 1840 1 1 18 LYS O O 8.461 -1.620 -15.179 1.00 . A A . 17 LYS O 1 1 4 1841 1 1 19 ARG C C 7.445 1.164 -15.144 1.00 . A A . 18 ARG C 1 1 4 1842 1 1 19 ARG CA C 6.363 0.101 -15.121 1.00 . A A . 18 ARG CA 1 1 4 1843 1 1 19 ARG CB C 4.921 0.692 -14.997 1.00 . A A . 18 ARG CB 1 1 4 1844 1 1 19 ARG CD C 4.491 1.070 -17.508 1.00 . A A . 18 ARG CD 1 1 4 1845 1 1 19 ARG CG C 4.010 0.369 -16.211 1.00 . A A . 18 ARG CG 1 1 4 1846 1 1 19 ARG CZ C 4.795 0.504 -19.862 1.00 . A A . 18 ARG CZ 1 1 4 1847 1 1 19 ARG H H 6.139 -0.809 -13.225 1.00 . A A . 18 ARG H 1 1 4 1848 1 1 19 ARG HA H 6.390 -0.500 -16.043 1.00 . A A . 18 ARG HA 1 1 4 1849 1 1 19 ARG HB2 H 4.387 0.283 -14.129 1.00 . A A . 18 ARG HB2 1 1 4 1850 1 1 19 ARG HB3 H 4.965 1.779 -14.871 1.00 . A A . 18 ARG HB3 1 1 4 1851 1 1 19 ARG HD2 H 4.032 2.065 -17.601 1.00 . A A . 18 ARG HD2 1 1 4 1852 1 1 19 ARG HD3 H 5.576 1.155 -17.418 1.00 . A A . 18 ARG HD3 1 1 4 1853 1 1 19 ARG HE H 3.474 -0.429 -18.630 1.00 . A A . 18 ARG HE 1 1 4 1854 1 1 19 ARG HG2 H 4.006 -0.725 -16.333 1.00 . A A . 18 ARG HG2 1 1 4 1855 1 1 19 ARG HG3 H 2.980 0.694 -15.995 1.00 . A A . 18 ARG HG3 1 1 4 1856 1 1 19 ARG HH11 H 5.929 2.130 -19.352 1.00 . A A . 18 ARG HH11 1 1 4 1857 1 1 19 ARG HH12 H 6.153 1.537 -20.984 1.00 . A A . 18 ARG HH12 1 1 4 1858 1 1 19 ARG HH21 H 3.826 -1.061 -20.743 1.00 . A A . 18 ARG HH21 1 1 4 1859 1 1 19 ARG HH22 H 4.936 -0.173 -21.782 1.00 . A A . 18 ARG HH22 1 1 4 1860 1 1 19 ARG N N 6.685 -0.828 -14.054 1.00 . A A . 18 ARG N 1 1 4 1861 1 1 19 ARG NE N 4.186 0.312 -18.714 1.00 . A A . 18 ARG NE 1 1 4 1862 1 1 19 ARG NH1 N 5.684 1.444 -20.072 1.00 . A A . 18 ARG NH1 1 1 4 1863 1 1 19 ARG NH2 N 4.498 -0.291 -20.858 1.00 . A A . 18 ARG NH2 1 1 4 1864 1 1 19 ARG O O 7.453 2.037 -14.294 1.00 . A A . 18 ARG O 1 1 4 1865 1 1 20 LEU C C 8.794 3.551 -16.340 1.00 . A A . 19 LEU C 1 1 4 1866 1 1 20 LEU CA C 9.385 2.157 -16.265 1.00 . A A . 19 LEU CA 1 1 4 1867 1 1 20 LEU CB C 10.293 1.909 -17.507 1.00 . A A . 19 LEU CB 1 1 4 1868 1 1 20 LEU CD1 C 10.341 2.494 -20.016 1.00 . A A . 19 LEU CD1 1 1 4 1869 1 1 20 LEU CD2 C 9.359 0.293 -19.349 1.00 . A A . 19 LEU CD2 1 1 4 1870 1 1 20 LEU CG C 9.561 1.768 -18.886 1.00 . A A . 19 LEU CG 1 1 4 1871 1 1 20 LEU H H 8.446 0.303 -16.694 1.00 . A A . 19 LEU H 1 1 4 1872 1 1 20 LEU HA H 10.031 2.135 -15.372 1.00 . A A . 19 LEU HA 1 1 4 1873 1 1 20 LEU HB2 H 10.982 2.767 -17.543 1.00 . A A . 19 LEU HB2 1 1 4 1874 1 1 20 LEU HB3 H 10.907 1.017 -17.315 1.00 . A A . 19 LEU HB3 1 1 4 1875 1 1 20 LEU HD11 H 11.260 1.942 -20.259 1.00 . A A . 19 LEU HD11 1 1 4 1876 1 1 20 LEU HD12 H 10.616 3.519 -19.740 1.00 . A A . 19 LEU HD12 1 1 4 1877 1 1 20 LEU HD13 H 9.711 2.552 -20.919 1.00 . A A . 19 LEU HD13 1 1 4 1878 1 1 20 LEU HD21 H 9.163 0.256 -20.431 1.00 . A A . 19 LEU HD21 1 1 4 1879 1 1 20 LEU HD22 H 8.500 -0.192 -18.866 1.00 . A A . 19 LEU HD22 1 1 4 1880 1 1 20 LEU HD23 H 10.261 -0.308 -19.155 1.00 . A A . 19 LEU HD23 1 1 4 1881 1 1 20 LEU HG H 8.577 2.257 -18.831 1.00 . A A . 19 LEU HG 1 1 4 1882 1 1 20 LEU N N 8.382 1.107 -16.113 1.00 . A A . 19 LEU N 1 1 4 1883 1 1 20 LEU O O 9.472 4.499 -15.977 1.00 . A A . 19 LEU O 1 1 4 1884 1 1 21 LYS C C 5.484 4.870 -16.673 1.00 . A A . 20 LYS C 1 1 4 1885 1 1 21 LYS CA C 6.942 5.018 -16.995 1.00 . A A . 20 LYS CA 1 1 4 1886 1 1 21 LYS CB C 7.035 5.403 -18.489 1.00 . A A . 20 LYS CB 1 1 4 1887 1 1 21 LYS CD C 8.490 5.961 -20.447 1.00 . A A . 20 LYS CD 1 1 4 1888 1 1 21 LYS CE C 9.498 7.031 -20.937 1.00 . A A . 20 LYS CE 1 1 4 1889 1 1 21 LYS CG C 8.472 5.772 -18.908 1.00 . A A . 20 LYS CG 1 1 4 1890 1 1 21 LYS H H 6.990 2.925 -17.085 1.00 . A A . 20 LYS H 1 1 4 1891 1 1 21 LYS HA H 7.374 5.789 -16.338 1.00 . A A . 20 LYS HA 1 1 4 1892 1 1 21 LYS HB2 H 6.657 4.564 -19.092 1.00 . A A . 20 LYS HB2 1 1 4 1893 1 1 21 LYS HB3 H 6.417 6.287 -18.705 1.00 . A A . 20 LYS HB3 1 1 4 1894 1 1 21 LYS HD2 H 8.663 4.988 -20.933 1.00 . A A . 20 LYS HD2 1 1 4 1895 1 1 21 LYS HD3 H 7.500 6.313 -20.778 1.00 . A A . 20 LYS HD3 1 1 4 1896 1 1 21 LYS HE2 H 9.149 7.364 -21.927 1.00 . A A . 20 LYS HE2 1 1 4 1897 1 1 21 LYS HE3 H 9.483 7.909 -20.270 1.00 . A A . 20 LYS HE3 1 1 4 1898 1 1 21 LYS HG2 H 8.743 6.696 -18.377 1.00 . A A . 20 LYS HG2 1 1 4 1899 1 1 21 LYS HG3 H 9.174 4.985 -18.609 1.00 . A A . 20 LYS HG3 1 1 4 1900 1 1 21 LYS HZ1 H 11.413 6.545 -20.147 1.00 . A A . 20 LYS HZ1 1 1 4 1901 1 1 21 LYS HZ2 H 11.414 7.173 -21.775 1.00 . A A . 20 LYS HZ2 1 1 4 1902 1 1 21 LYS HZ3 H 10.926 5.535 -21.502 1.00 . A A . 20 LYS HZ3 1 1 4 1903 1 1 21 LYS N N 7.544 3.705 -16.818 1.00 . A A . 20 LYS N 1 1 4 1904 1 1 21 LYS NZ N 10.881 6.531 -21.088 1.00 . A A . 20 LYS NZ 1 1 4 1905 1 1 21 LYS O O 5.076 3.774 -16.332 1.00 . A A . 20 LYS O 1 1 4 1906 1 1 22 CYS C C 2.458 5.184 -17.509 1.00 . A A . 21 CYS C 1 1 4 1907 1 1 22 CYS CA C 3.281 5.814 -16.410 1.00 . A A . 21 CYS CA 1 1 4 1908 1 1 22 CYS CB C 2.815 7.247 -16.096 1.00 . A A . 21 CYS CB 1 1 4 1909 1 1 22 CYS H H 5.030 6.846 -17.028 1.00 . A A . 21 CYS H 1 1 4 1910 1 1 22 CYS HA H 3.175 5.212 -15.496 1.00 . A A . 21 CYS HA 1 1 4 1911 1 1 22 CYS HB2 H 3.456 7.739 -15.348 1.00 . A A . 21 CYS HB2 1 1 4 1912 1 1 22 CYS HB3 H 2.782 7.849 -17.005 1.00 . A A . 21 CYS HB3 1 1 4 1913 1 1 22 CYS N N 4.682 5.943 -16.765 1.00 . A A . 21 CYS N 1 1 4 1914 1 1 22 CYS O O 2.761 5.409 -18.669 1.00 . A A . 21 CYS O 1 1 4 1915 1 1 22 CYS SG S 1.145 7.162 -15.476 1.00 . A A . 21 CYS SG 1 1 4 1916 1 1 23 PHE C C -0.637 4.647 -18.554 1.00 . A A . 22 PHE C 1 1 4 1917 1 1 23 PHE CA C 0.561 3.794 -18.199 1.00 . A A . 22 PHE CA 1 1 4 1918 1 1 23 PHE CB C 0.129 2.397 -17.679 1.00 . A A . 22 PHE CB 1 1 4 1919 1 1 23 PHE CD1 C 1.067 1.076 -19.626 1.00 . A A . 22 PHE CD1 1 1 4 1920 1 1 23 PHE CD2 C -1.229 0.683 -18.995 1.00 . A A . 22 PHE CD2 1 1 4 1921 1 1 23 PHE CE1 C 0.940 0.157 -20.668 1.00 . A A . 22 PHE CE1 1 1 4 1922 1 1 23 PHE CE2 C -1.329 -0.299 -19.983 1.00 . A A . 22 PHE CE2 1 1 4 1923 1 1 23 PHE CG C -0.022 1.361 -18.798 1.00 . A A . 22 PHE CG 1 1 4 1924 1 1 23 PHE CZ C -0.243 -0.568 -20.818 1.00 . A A . 22 PHE CZ 1 1 4 1925 1 1 23 PHE H H 1.141 4.275 -16.210 1.00 . A A . 22 PHE H 1 1 4 1926 1 1 23 PHE HA H 1.133 3.685 -19.130 1.00 . A A . 22 PHE HA 1 1 4 1927 1 1 23 PHE HB2 H 0.913 1.992 -17.022 1.00 . A A . 22 PHE HB2 1 1 4 1928 1 1 23 PHE HB3 H -0.791 2.501 -17.083 1.00 . A A . 22 PHE HB3 1 1 4 1929 1 1 23 PHE HD1 H 2.020 1.566 -19.469 1.00 . A A . 22 PHE HD1 1 1 4 1930 1 1 23 PHE HD2 H -2.094 0.908 -18.379 1.00 . A A . 22 PHE HD2 1 1 4 1931 1 1 23 PHE HE1 H 1.756 0.007 -21.364 1.00 . A A . 22 PHE HE1 1 1 4 1932 1 1 23 PHE HE2 H -2.255 -0.852 -20.106 1.00 . A A . 22 PHE HE2 1 1 4 1933 1 1 23 PHE HZ H -0.316 -1.336 -21.580 1.00 . A A . 22 PHE HZ 1 1 4 1934 1 1 23 PHE N N 1.401 4.408 -17.171 1.00 . A A . 22 PHE N 1 1 4 1935 1 1 23 PHE O O -1.603 4.129 -19.089 1.00 . A A . 22 PHE O 1 1 4 1936 1 1 24 ARG C C -1.091 8.098 -19.259 1.00 . A A . 23 ARG C 1 1 4 1937 1 1 24 ARG CA C -1.653 6.891 -18.546 1.00 . A A . 23 ARG CA 1 1 4 1938 1 1 24 ARG CB C -2.367 7.238 -17.218 1.00 . A A . 23 ARG CB 1 1 4 1939 1 1 24 ARG CD C -4.811 8.103 -16.808 1.00 . A A . 23 ARG CD 1 1 4 1940 1 1 24 ARG CG C -3.399 8.384 -17.403 1.00 . A A . 23 ARG CG 1 1 4 1941 1 1 24 ARG CZ C -6.177 8.832 -14.911 1.00 . A A . 23 ARG CZ 1 1 4 1942 1 1 24 ARG H H 0.229 6.332 -17.810 1.00 . A A . 23 ARG H 1 1 4 1943 1 1 24 ARG HA H -2.399 6.435 -19.217 1.00 . A A . 23 ARG HA 1 1 4 1944 1 1 24 ARG HB2 H -2.854 6.297 -16.944 1.00 . A A . 23 ARG HB2 1 1 4 1945 1 1 24 ARG HB3 H -1.645 7.502 -16.429 1.00 . A A . 23 ARG HB3 1 1 4 1946 1 1 24 ARG HD2 H -5.496 8.635 -17.484 1.00 . A A . 23 ARG HD2 1 1 4 1947 1 1 24 ARG HD3 H -5.054 7.030 -16.822 1.00 . A A . 23 ARG HD3 1 1 4 1948 1 1 24 ARG HE H -4.155 8.921 -14.959 1.00 . A A . 23 ARG HE 1 1 4 1949 1 1 24 ARG HG2 H -2.983 9.325 -17.010 1.00 . A A . 23 ARG HG2 1 1 4 1950 1 1 24 ARG HG3 H -3.548 8.533 -18.482 1.00 . A A . 23 ARG HG3 1 1 4 1951 1 1 24 ARG HH11 H -7.320 7.976 -16.376 1.00 . A A . 23 ARG HH11 1 1 4 1952 1 1 24 ARG HH12 H -8.206 8.641 -15.017 1.00 . A A . 23 ARG HH12 1 1 4 1953 1 1 24 ARG HH21 H -5.384 9.718 -13.246 1.00 . A A . 23 ARG HH21 1 1 4 1954 1 1 24 ARG HH22 H -7.140 9.563 -13.264 1.00 . A A . 23 ARG HH22 1 1 4 1955 1 1 24 ARG N N -0.569 5.962 -18.261 1.00 . A A . 23 ARG N 1 1 4 1956 1 1 24 ARG NE N -5.001 8.645 -15.467 1.00 . A A . 23 ARG NE 1 1 4 1957 1 1 24 ARG NH1 N -7.301 8.466 -15.475 1.00 . A A . 23 ARG NH1 1 1 4 1958 1 1 24 ARG NH2 N -6.237 9.405 -13.735 1.00 . A A . 23 ARG NH2 1 1 4 1959 1 1 24 ARG O O -1.561 8.383 -20.348 1.00 . A A . 23 ARG O 1 1 4 1960 1 1 25 CYS C C 1.915 9.559 -19.926 1.00 . A A . 24 CYS C 1 1 4 1961 1 1 25 CYS CA C 0.531 9.914 -19.409 1.00 . A A . 24 CYS CA 1 1 4 1962 1 1 25 CYS CB C 0.570 11.130 -18.456 1.00 . A A . 24 CYS CB 1 1 4 1963 1 1 25 CYS H H 0.241 8.602 -17.775 1.00 . A A . 24 CYS H 1 1 4 1964 1 1 25 CYS HA H -0.077 10.238 -20.267 1.00 . A A . 24 CYS HA 1 1 4 1965 1 1 25 CYS HB2 H 0.905 12.044 -18.969 1.00 . A A . 24 CYS HB2 1 1 4 1966 1 1 25 CYS HB3 H -0.426 11.298 -18.020 1.00 . A A . 24 CYS HB3 1 1 4 1967 1 1 25 CYS N N -0.097 8.811 -18.689 1.00 . A A . 24 CYS N 1 1 4 1968 1 1 25 CYS O O 2.518 10.402 -20.570 1.00 . A A . 24 CYS O 1 1 4 1969 1 1 25 CYS SG S 1.715 10.776 -17.115 1.00 . A A . 24 CYS SG 1 1 4 1970 1 1 26 GLY C C 4.888 8.953 -19.728 1.00 . A A . 25 GLY C 1 1 4 1971 1 1 26 GLY CA C 3.792 8.033 -20.207 1.00 . A A . 25 GLY CA 1 1 4 1972 1 1 26 GLY H H 1.974 7.613 -19.217 1.00 . A A . 25 GLY H 1 1 4 1973 1 1 26 GLY HA2 H 4.099 7.023 -19.903 1.00 . A A . 25 GLY HA2 1 1 4 1974 1 1 26 GLY HA3 H 3.754 8.053 -21.306 1.00 . A A . 25 GLY HA3 1 1 4 1975 1 1 26 GLY N N 2.462 8.344 -19.690 1.00 . A A . 25 GLY N 1 1 4 1976 1 1 26 GLY O O 5.897 9.042 -20.410 1.00 . A A . 25 GLY O 1 1 4 1977 1 1 27 ALA C C 6.654 9.806 -17.100 1.00 . A A . 26 ALA C 1 1 4 1978 1 1 27 ALA CA C 5.762 10.532 -18.080 1.00 . A A . 26 ALA CA 1 1 4 1979 1 1 27 ALA CB C 5.103 11.759 -17.410 1.00 . A A . 26 ALA CB 1 1 4 1980 1 1 27 ALA H H 3.930 9.511 -17.997 1.00 . A A . 26 ALA H 1 1 4 1981 1 1 27 ALA HA H 6.344 10.915 -18.933 1.00 . A A . 26 ALA HA 1 1 4 1982 1 1 27 ALA HB1 H 4.321 12.159 -18.073 1.00 . A A . 26 ALA HB1 1 1 4 1983 1 1 27 ALA HB2 H 4.651 11.479 -16.447 1.00 . A A . 26 ALA HB2 1 1 4 1984 1 1 27 ALA HB3 H 5.857 12.542 -17.236 1.00 . A A . 26 ALA HB3 1 1 4 1985 1 1 27 ALA N N 4.736 9.621 -18.565 1.00 . A A . 26 ALA N 1 1 4 1986 1 1 27 ALA O O 6.165 8.958 -16.370 1.00 . A A . 26 ALA O 1 1 4 1987 1 1 28 ASP C C 8.507 9.677 -14.756 1.00 . A A . 27 ASP C 1 1 4 1988 1 1 28 ASP CA C 8.879 9.404 -16.197 1.00 . A A . 27 ASP CA 1 1 4 1989 1 1 28 ASP CB C 10.354 9.806 -16.452 1.00 . A A . 27 ASP CB 1 1 4 1990 1 1 28 ASP CG C 11.323 8.736 -16.042 1.00 . A A . 27 ASP CG 1 1 4 1991 1 1 28 ASP H H 8.332 10.827 -17.688 1.00 . A A . 27 ASP H 1 1 4 1992 1 1 28 ASP HA H 8.772 8.329 -16.411 1.00 . A A . 27 ASP HA 1 1 4 1993 1 1 28 ASP HB2 H 10.520 10.016 -17.520 1.00 . A A . 27 ASP HB2 1 1 4 1994 1 1 28 ASP HB3 H 10.594 10.706 -15.878 1.00 . A A . 27 ASP HB3 1 1 4 1995 1 1 28 ASP N N 7.968 10.117 -17.087 1.00 . A A . 27 ASP N 1 1 4 1996 1 1 28 ASP O O 7.879 10.685 -14.482 1.00 . A A . 27 ASP O 1 1 4 1997 1 1 28 ASP OD1 O 11.054 8.042 -15.022 1.00 . A A . 27 ASP OD1 1 1 4 1998 1 1 28 ASP OD2 O 12.361 8.587 -16.744 1.00 . A A . 27 ASP OD2 1 1 4 1999 1 1 29 LYS C C 8.988 10.187 -11.832 1.00 . A A . 28 LYS C 1 1 4 2000 1 1 29 LYS CA C 8.417 8.933 -12.440 1.00 . A A . 28 LYS CA 1 1 4 2001 1 1 29 LYS CB C 8.883 7.743 -11.562 1.00 . A A . 28 LYS CB 1 1 4 2002 1 1 29 LYS CD C 9.303 5.216 -11.977 1.00 . A A . 28 LYS CD 1 1 4 2003 1 1 29 LYS CE C 9.457 4.641 -10.542 1.00 . A A . 28 LYS CE 1 1 4 2004 1 1 29 LYS CG C 8.312 6.403 -12.088 1.00 . A A . 28 LYS CG 1 1 4 2005 1 1 29 LYS H H 9.506 8.040 -14.071 1.00 . A A . 28 LYS H 1 1 4 2006 1 1 29 LYS HA H 7.315 8.980 -12.424 1.00 . A A . 28 LYS HA 1 1 4 2007 1 1 29 LYS HB2 H 9.981 7.705 -11.559 1.00 . A A . 28 LYS HB2 1 1 4 2008 1 1 29 LYS HB3 H 8.547 7.904 -10.524 1.00 . A A . 28 LYS HB3 1 1 4 2009 1 1 29 LYS HD2 H 8.888 4.412 -12.606 1.00 . A A . 28 LYS HD2 1 1 4 2010 1 1 29 LYS HD3 H 10.282 5.488 -12.402 1.00 . A A . 28 LYS HD3 1 1 4 2011 1 1 29 LYS HE2 H 8.509 4.715 -9.991 1.00 . A A . 28 LYS HE2 1 1 4 2012 1 1 29 LYS HE3 H 9.703 3.571 -10.644 1.00 . A A . 28 LYS HE3 1 1 4 2013 1 1 29 LYS HG2 H 7.399 6.190 -11.526 1.00 . A A . 28 LYS HG2 1 1 4 2014 1 1 29 LYS HG3 H 8.022 6.487 -13.145 1.00 . A A . 28 LYS HG3 1 1 4 2015 1 1 29 LYS HZ1 H 11.467 5.320 -10.288 1.00 . A A . 28 LYS HZ1 1 1 4 2016 1 1 29 LYS HZ2 H 10.727 4.658 -8.865 1.00 . A A . 28 LYS HZ2 1 1 4 2017 1 1 29 LYS HZ3 H 10.269 6.251 -9.400 1.00 . A A . 28 LYS HZ3 1 1 4 2018 1 1 29 LYS N N 8.888 8.791 -13.816 1.00 . A A . 28 LYS N 1 1 4 2019 1 1 29 LYS NZ N 10.535 5.262 -9.743 1.00 . A A . 28 LYS NZ 1 1 4 2020 1 1 29 LYS O O 8.244 10.991 -11.291 1.00 . A A . 28 LYS O 1 1 4 2021 1 1 30 PHE C C 11.293 12.475 -12.469 1.00 . A A . 29 PHE C 1 1 4 2022 1 1 30 PHE CA C 10.979 11.515 -11.348 1.00 . A A . 29 PHE CA 1 1 4 2023 1 1 30 PHE CB C 12.268 11.050 -10.607 1.00 . A A . 29 PHE CB 1 1 4 2024 1 1 30 PHE CD1 C 11.443 10.896 -8.225 1.00 . A A . 29 PHE CD1 1 1 4 2025 1 1 30 PHE CD2 C 13.089 12.589 -8.742 1.00 . A A . 29 PHE CD2 1 1 4 2026 1 1 30 PHE CE1 C 11.445 11.297 -6.888 1.00 . A A . 29 PHE CE1 1 1 4 2027 1 1 30 PHE CE2 C 13.093 12.989 -7.403 1.00 . A A . 29 PHE CE2 1 1 4 2028 1 1 30 PHE CG C 12.271 11.532 -9.153 1.00 . A A . 29 PHE CG 1 1 4 2029 1 1 30 PHE CZ C 12.273 12.344 -6.476 1.00 . A A . 29 PHE CZ 1 1 4 2030 1 1 30 PHE H H 10.886 9.704 -12.449 1.00 . A A . 29 PHE H 1 1 4 2031 1 1 30 PHE HA H 10.328 12.035 -10.629 1.00 . A A . 29 PHE HA 1 1 4 2032 1 1 30 PHE HB2 H 12.310 9.952 -10.559 1.00 . A A . 29 PHE HB2 1 1 4 2033 1 1 30 PHE HB3 H 13.184 11.375 -11.121 1.00 . A A . 29 PHE HB3 1 1 4 2034 1 1 30 PHE HD1 H 10.793 10.087 -8.540 1.00 . A A . 29 PHE HD1 1 1 4 2035 1 1 30 PHE HD2 H 13.723 13.104 -9.456 1.00 . A A . 29 PHE HD2 1 1 4 2036 1 1 30 PHE HE1 H 10.804 10.796 -6.170 1.00 . A A . 29 PHE HE1 1 1 4 2037 1 1 30 PHE HE2 H 13.736 13.804 -7.083 1.00 . A A . 29 PHE HE2 1 1 4 2038 1 1 30 PHE HZ H 12.278 12.655 -5.436 1.00 . A A . 29 PHE HZ 1 1 4 2039 1 1 30 PHE N N 10.325 10.347 -11.925 1.00 . A A . 29 PHE N 1 1 4 2040 1 1 30 PHE O O 12.233 13.241 -12.342 1.00 . A A . 29 PHE O 1 1 4 2041 1 1 31 ASP C C 12.307 13.033 -15.296 1.00 . A A . 30 ASP C 1 1 4 2042 1 1 31 ASP CA C 10.908 13.261 -14.752 1.00 . A A . 30 ASP CA 1 1 4 2043 1 1 31 ASP CB C 10.612 14.758 -14.475 1.00 . A A . 30 ASP CB 1 1 4 2044 1 1 31 ASP CG C 9.145 15.098 -14.548 1.00 . A A . 30 ASP CG 1 1 4 2045 1 1 31 ASP H H 9.742 11.859 -13.696 1.00 . A A . 30 ASP H 1 1 4 2046 1 1 31 ASP HA H 10.269 12.979 -15.603 1.00 . A A . 30 ASP HA 1 1 4 2047 1 1 31 ASP HB2 H 10.998 15.045 -13.487 1.00 . A A . 30 ASP HB2 1 1 4 2048 1 1 31 ASP HB3 H 11.116 15.378 -15.230 1.00 . A A . 30 ASP HB3 1 1 4 2049 1 1 31 ASP N N 10.557 12.430 -13.603 1.00 . A A . 30 ASP N 1 1 4 2050 1 1 31 ASP O O 12.631 13.661 -16.290 1.00 . A A . 30 ASP O 1 1 4 2051 1 1 31 ASP OD1 O 8.400 14.476 -15.354 1.00 . A A . 30 ASP OD1 1 1 4 2052 1 1 31 ASP OD2 O 8.720 16.018 -13.800 1.00 . A A . 30 ASP OD2 1 1 4 2053 1 1 32 NH2 HN1 H 12.991 11.591 -13.967 1.00 . A A . 31 NH2 HN1 1 1 4 2054 1 1 32 NH2 HN2 H 14.092 12.090 -15.180 1.00 . A A . 31 NH2 HN2 1 1 4 2055 1 1 32 NH2 N N 13.189 12.165 -14.755 1.00 . A A . 31 NH2 N 1 1 4 2056 2 2 1 ZN ZN ZN 1.052 9.536 -15.199 1.00 . B A . 32 ZN ZN 1 1 5 2057 1 1 1 ACE C C 6.368 -7.753 -5.688 1.00 . A A . 0 ACE C 1 1 5 2058 1 1 1 ACE CH3 C 5.994 -8.997 -6.440 1.00 . A A . 0 ACE CH3 1 1 5 2059 1 1 1 ACE H1 H 6.492 -8.986 -7.421 1.00 . A A . 0 ACE H1 1 1 5 2060 1 1 1 ACE H2 H 4.905 -9.037 -6.580 1.00 . A A . 0 ACE H2 1 1 5 2061 1 1 1 ACE H3 H 6.321 -9.887 -5.882 1.00 . A A . 0 ACE H3 1 1 5 2062 1 1 1 ACE O O 6.995 -7.865 -4.646 1.00 . A A . 0 ACE O 1 1 5 2063 1 1 2 LYS C C 5.159 -4.702 -4.952 1.00 . A A . 1 LYS C 1 1 5 2064 1 1 2 LYS CA C 6.385 -5.322 -5.577 1.00 . A A . 1 LYS CA 1 1 5 2065 1 1 2 LYS CB C 7.053 -4.397 -6.625 1.00 . A A . 1 LYS CB 1 1 5 2066 1 1 2 LYS CD C 9.471 -3.573 -7.050 1.00 . A A . 1 LYS CD 1 1 5 2067 1 1 2 LYS CE C 10.474 -4.746 -6.877 1.00 . A A . 1 LYS CE 1 1 5 2068 1 1 2 LYS CG C 8.277 -3.617 -6.054 1.00 . A A . 1 LYS CG 1 1 5 2069 1 1 2 LYS H H 5.444 -6.519 -7.055 1.00 . A A . 1 LYS H 1 1 5 2070 1 1 2 LYS HA H 7.133 -5.547 -4.809 1.00 . A A . 1 LYS HA 1 1 5 2071 1 1 2 LYS HB2 H 7.375 -5.031 -7.455 1.00 . A A . 1 LYS HB2 1 1 5 2072 1 1 2 LYS HB3 H 6.305 -3.712 -7.047 1.00 . A A . 1 LYS HB3 1 1 5 2073 1 1 2 LYS HD2 H 9.150 -3.533 -8.103 1.00 . A A . 1 LYS HD2 1 1 5 2074 1 1 2 LYS HD3 H 10.034 -2.651 -6.836 1.00 . A A . 1 LYS HD3 1 1 5 2075 1 1 2 LYS HE2 H 11.383 -4.458 -7.429 1.00 . A A . 1 LYS HE2 1 1 5 2076 1 1 2 LYS HE3 H 10.759 -4.849 -5.817 1.00 . A A . 1 LYS HE3 1 1 5 2077 1 1 2 LYS HG2 H 7.941 -2.604 -5.798 1.00 . A A . 1 LYS HG2 1 1 5 2078 1 1 2 LYS HG3 H 8.673 -4.018 -5.114 1.00 . A A . 1 LYS HG3 1 1 5 2079 1 1 2 LYS HZ1 H 9.597 -6.675 -6.617 1.00 . A A . 1 LYS HZ1 1 1 5 2080 1 1 2 LYS HZ2 H 10.839 -6.593 -7.832 1.00 . A A . 1 LYS HZ2 1 1 5 2081 1 1 2 LYS HZ3 H 9.299 -5.988 -8.208 1.00 . A A . 1 LYS HZ3 1 1 5 2082 1 1 2 LYS N N 5.996 -6.569 -6.222 1.00 . A A . 1 LYS N 1 1 5 2083 1 1 2 LYS NZ N 10.010 -6.052 -7.400 1.00 . A A . 1 LYS NZ 1 1 5 2084 1 1 2 LYS O O 4.311 -4.203 -5.672 1.00 . A A . 1 LYS O 1 1 5 2085 1 1 3 PHE C C 4.164 -2.717 -2.580 1.00 . A A . 2 PHE C 1 1 5 2086 1 1 3 PHE CA C 3.894 -4.163 -2.925 1.00 . A A . 2 PHE CA 1 1 5 2087 1 1 3 PHE CB C 3.540 -5.031 -1.681 1.00 . A A . 2 PHE CB 1 1 5 2088 1 1 3 PHE CD1 C 5.291 -4.542 0.121 1.00 . A A . 2 PHE CD1 1 1 5 2089 1 1 3 PHE CD2 C 5.415 -6.637 -1.063 1.00 . A A . 2 PHE CD2 1 1 5 2090 1 1 3 PHE CE1 C 6.455 -4.868 0.820 1.00 . A A . 2 PHE CE1 1 1 5 2091 1 1 3 PHE CE2 C 6.571 -6.971 -0.356 1.00 . A A . 2 PHE CE2 1 1 5 2092 1 1 3 PHE CG C 4.777 -5.410 -0.848 1.00 . A A . 2 PHE CG 1 1 5 2093 1 1 3 PHE CZ C 7.095 -6.085 0.586 1.00 . A A . 2 PHE CZ 1 1 5 2094 1 1 3 PHE H H 5.810 -5.070 -3.057 1.00 . A A . 2 PHE H 1 1 5 2095 1 1 3 PHE HA H 3.006 -4.173 -3.578 1.00 . A A . 2 PHE HA 1 1 5 2096 1 1 3 PHE HB2 H 2.798 -4.522 -1.047 1.00 . A A . 2 PHE HB2 1 1 5 2097 1 1 3 PHE HB3 H 3.072 -5.961 -2.042 1.00 . A A . 2 PHE HB3 1 1 5 2098 1 1 3 PHE HD1 H 4.794 -3.605 0.343 1.00 . A A . 2 PHE HD1 1 1 5 2099 1 1 3 PHE HD2 H 5.025 -7.342 -1.791 1.00 . A A . 2 PHE HD2 1 1 5 2100 1 1 3 PHE HE1 H 6.861 -4.172 1.546 1.00 . A A . 2 PHE HE1 1 1 5 2101 1 1 3 PHE HE2 H 7.066 -7.920 -0.540 1.00 . A A . 2 PHE HE2 1 1 5 2102 1 1 3 PHE HZ H 7.995 -6.341 1.137 1.00 . A A . 2 PHE HZ 1 1 5 2103 1 1 3 PHE N N 5.058 -4.721 -3.609 1.00 . A A . 2 PHE N 1 1 5 2104 1 1 3 PHE O O 3.884 -2.305 -1.467 1.00 . A A . 2 PHE O 1 1 5 2105 1 1 4 GLU C C 4.912 0.300 -4.438 1.00 . A A . 3 GLU C 1 1 5 2106 1 1 4 GLU CA C 5.023 -0.524 -3.183 1.00 . A A . 3 GLU CA 1 1 5 2107 1 1 4 GLU CB C 6.448 -0.439 -2.591 1.00 . A A . 3 GLU CB 1 1 5 2108 1 1 4 GLU CD C 7.146 1.136 -0.724 1.00 . A A . 3 GLU CD 1 1 5 2109 1 1 4 GLU CG C 6.787 1.022 -2.181 1.00 . A A . 3 GLU CG 1 1 5 2110 1 1 4 GLU H H 4.898 -2.224 -4.445 1.00 . A A . 3 GLU H 1 1 5 2111 1 1 4 GLU HA H 4.299 -0.121 -2.458 1.00 . A A . 3 GLU HA 1 1 5 2112 1 1 4 GLU HB2 H 6.498 -1.117 -1.726 1.00 . A A . 3 GLU HB2 1 1 5 2113 1 1 4 GLU HB3 H 7.167 -0.802 -3.343 1.00 . A A . 3 GLU HB3 1 1 5 2114 1 1 4 GLU HG2 H 7.625 1.386 -2.795 1.00 . A A . 3 GLU HG2 1 1 5 2115 1 1 4 GLU HG3 H 5.933 1.697 -2.344 1.00 . A A . 3 GLU HG3 1 1 5 2116 1 1 4 GLU N N 4.700 -1.908 -3.518 1.00 . A A . 3 GLU N 1 1 5 2117 1 1 4 GLU O O 5.871 0.904 -4.885 1.00 . A A . 3 GLU O 1 1 5 2118 1 1 4 GLU OE1 O 6.399 0.580 0.124 1.00 . A A . 3 GLU OE1 1 1 5 2119 1 1 4 GLU OE2 O 8.179 1.793 -0.423 1.00 . A A . 3 GLU OE2 1 1 5 2120 1 1 5 ASP C C 3.781 2.491 -6.133 1.00 . A A . 4 ASP C 1 1 5 2121 1 1 5 ASP CA C 3.484 1.016 -6.270 1.00 . A A . 4 ASP CA 1 1 5 2122 1 1 5 ASP CB C 2.000 0.851 -6.655 1.00 . A A . 4 ASP CB 1 1 5 2123 1 1 5 ASP CG C 1.491 -0.563 -6.605 1.00 . A A . 4 ASP CG 1 1 5 2124 1 1 5 ASP H H 2.959 -0.217 -4.600 1.00 . A A . 4 ASP H 1 1 5 2125 1 1 5 ASP HA H 4.136 0.603 -7.051 1.00 . A A . 4 ASP HA 1 1 5 2126 1 1 5 ASP HB2 H 1.428 1.450 -5.932 1.00 . A A . 4 ASP HB2 1 1 5 2127 1 1 5 ASP HB3 H 1.828 1.230 -7.668 1.00 . A A . 4 ASP HB3 1 1 5 2128 1 1 5 ASP N N 3.703 0.304 -5.018 1.00 . A A . 4 ASP N 1 1 5 2129 1 1 5 ASP O O 4.119 2.923 -5.043 1.00 . A A . 4 ASP O 1 1 5 2130 1 1 5 ASP OD1 O 2.333 -1.503 -6.623 1.00 . A A . 4 ASP OD1 1 1 5 2131 1 1 5 ASP OD2 O 0.244 -0.727 -6.540 1.00 . A A . 4 ASP OD2 1 1 5 2132 1 1 6 TRP C C 2.895 5.521 -7.832 1.00 . A A . 5 TRP C 1 1 5 2133 1 1 6 TRP CA C 3.952 4.713 -7.127 1.00 . A A . 5 TRP CA 1 1 5 2134 1 1 6 TRP CB C 5.351 4.968 -7.731 1.00 . A A . 5 TRP CB 1 1 5 2135 1 1 6 TRP CD1 C 6.085 3.242 -9.459 1.00 . A A . 5 TRP CD1 1 1 5 2136 1 1 6 TRP CD2 C 4.984 4.997 -10.390 1.00 . A A . 5 TRP CD2 1 1 5 2137 1 1 6 TRP CE2 C 5.394 4.099 -11.355 1.00 . A A . 5 TRP CE2 1 1 5 2138 1 1 6 TRP CE3 C 4.307 6.173 -10.698 1.00 . A A . 5 TRP CE3 1 1 5 2139 1 1 6 TRP CG C 5.481 4.387 -9.113 1.00 . A A . 5 TRP CG 1 1 5 2140 1 1 6 TRP CH2 C 4.494 5.513 -13.030 1.00 . A A . 5 TRP CH2 1 1 5 2141 1 1 6 TRP CZ2 C 5.193 4.346 -12.707 1.00 . A A . 5 TRP CZ2 1 1 5 2142 1 1 6 TRP CZ3 C 4.032 6.390 -12.046 1.00 . A A . 5 TRP CZ3 1 1 5 2143 1 1 6 TRP H H 3.389 2.932 -8.121 1.00 . A A . 5 TRP H 1 1 5 2144 1 1 6 TRP HA H 3.955 5.058 -6.081 1.00 . A A . 5 TRP HA 1 1 5 2145 1 1 6 TRP HB2 H 5.571 6.044 -7.778 1.00 . A A . 5 TRP HB2 1 1 5 2146 1 1 6 TRP HB3 H 6.097 4.490 -7.079 1.00 . A A . 5 TRP HB3 1 1 5 2147 1 1 6 TRP HD1 H 6.556 2.614 -8.715 1.00 . A A . 5 TRP HD1 1 1 5 2148 1 1 6 TRP HE1 H 6.391 2.243 -11.255 1.00 . A A . 5 TRP HE1 1 1 5 2149 1 1 6 TRP HE3 H 4.035 6.872 -9.929 1.00 . A A . 5 TRP HE3 1 1 5 2150 1 1 6 TRP HH2 H 4.327 5.756 -14.058 1.00 . A A . 5 TRP HH2 1 1 5 2151 1 1 6 TRP HZ2 H 5.568 3.707 -13.491 1.00 . A A . 5 TRP HZ2 1 1 5 2152 1 1 6 TRP HZ3 H 3.467 7.250 -12.351 1.00 . A A . 5 TRP HZ3 1 1 5 2153 1 1 6 TRP N N 3.654 3.287 -7.221 1.00 . A A . 5 TRP N 1 1 5 2154 1 1 6 TRP NE1 N 6.009 3.060 -10.752 1.00 . A A . 5 TRP NE1 1 1 5 2155 1 1 6 TRP O O 2.124 4.931 -8.573 1.00 . A A . 5 TRP O 1 1 5 2156 1 1 7 LEU C C 2.543 8.699 -9.166 1.00 . A A . 6 LEU C 1 1 5 2157 1 1 7 LEU CA C 1.878 7.726 -8.230 1.00 . A A . 6 LEU CA 1 1 5 2158 1 1 7 LEU CB C 1.045 8.530 -7.205 1.00 . A A . 6 LEU CB 1 1 5 2159 1 1 7 LEU CD1 C 0.438 7.333 -5.007 1.00 . A A . 6 LEU CD1 1 1 5 2160 1 1 7 LEU CD2 C -1.408 8.295 -6.503 1.00 . A A . 6 LEU CD2 1 1 5 2161 1 1 7 LEU CG C 0.002 7.647 -6.458 1.00 . A A . 6 LEU CG 1 1 5 2162 1 1 7 LEU H H 3.530 7.300 -6.995 1.00 . A A . 6 LEU H 1 1 5 2163 1 1 7 LEU HA H 1.189 7.150 -8.840 1.00 . A A . 6 LEU HA 1 1 5 2164 1 1 7 LEU HB2 H 1.720 9.030 -6.493 1.00 . A A . 6 LEU HB2 1 1 5 2165 1 1 7 LEU HB3 H 0.529 9.311 -7.785 1.00 . A A . 6 LEU HB3 1 1 5 2166 1 1 7 LEU HD11 H -0.311 6.689 -4.520 1.00 . A A . 6 LEU HD11 1 1 5 2167 1 1 7 LEU HD12 H 0.542 8.259 -4.424 1.00 . A A . 6 LEU HD12 1 1 5 2168 1 1 7 LEU HD13 H 1.398 6.795 -5.017 1.00 . A A . 6 LEU HD13 1 1 5 2169 1 1 7 LEU HD21 H -2.059 7.887 -5.717 1.00 . A A . 6 LEU HD21 1 1 5 2170 1 1 7 LEU HD22 H -1.870 8.077 -7.478 1.00 . A A . 6 LEU HD22 1 1 5 2171 1 1 7 LEU HD23 H -1.354 9.387 -6.371 1.00 . A A . 6 LEU HD23 1 1 5 2172 1 1 7 LEU HG H -0.073 6.666 -6.946 1.00 . A A . 6 LEU HG 1 1 5 2173 1 1 7 LEU N N 2.864 6.857 -7.596 1.00 . A A . 6 LEU N 1 1 5 2174 1 1 7 LEU O O 3.484 9.355 -8.749 1.00 . A A . 6 LEU O 1 1 5 2175 1 1 8 CYS C C 2.761 11.096 -10.823 1.00 . A A . 7 CYS C 1 1 5 2176 1 1 8 CYS CA C 2.765 9.687 -11.356 1.00 . A A . 7 CYS CA 1 1 5 2177 1 1 8 CYS CB C 2.073 9.693 -12.741 1.00 . A A . 7 CYS CB 1 1 5 2178 1 1 8 CYS H H 1.325 8.243 -10.790 1.00 . A A . 7 CYS H 1 1 5 2179 1 1 8 CYS HA H 3.807 9.352 -11.462 1.00 . A A . 7 CYS HA 1 1 5 2180 1 1 8 CYS HB2 H 1.889 8.686 -13.140 1.00 . A A . 7 CYS HB2 1 1 5 2181 1 1 8 CYS HB3 H 1.106 10.199 -12.665 1.00 . A A . 7 CYS HB3 1 1 5 2182 1 1 8 CYS N N 2.089 8.790 -10.436 1.00 . A A . 7 CYS N 1 1 5 2183 1 1 8 CYS O O 1.849 11.448 -10.095 1.00 . A A . 7 CYS O 1 1 5 2184 1 1 8 CYS SG S 3.148 10.594 -13.895 1.00 . A A . 7 CYS SG 1 1 5 2185 1 1 9 ASN C C 3.220 14.228 -11.805 1.00 . A A . 8 ASN C 1 1 5 2186 1 1 9 ASN CA C 3.824 13.304 -10.766 1.00 . A A . 8 ASN CA 1 1 5 2187 1 1 9 ASN CB C 5.309 13.656 -10.446 1.00 . A A . 8 ASN CB 1 1 5 2188 1 1 9 ASN CG C 5.533 14.030 -9.002 1.00 . A A . 8 ASN CG 1 1 5 2189 1 1 9 ASN H H 4.463 11.591 -11.849 1.00 . A A . 8 ASN H 1 1 5 2190 1 1 9 ASN HA H 3.211 13.427 -9.861 1.00 . A A . 8 ASN HA 1 1 5 2191 1 1 9 ASN HB2 H 5.955 12.798 -10.678 1.00 . A A . 8 ASN HB2 1 1 5 2192 1 1 9 ASN HB3 H 5.666 14.491 -11.066 1.00 . A A . 8 ASN HB3 1 1 5 2193 1 1 9 ASN HD21 H 7.416 13.192 -8.917 1.00 . A A . 8 ASN HD21 1 1 5 2194 1 1 9 ASN HD22 H 6.846 13.926 -7.462 1.00 . A A . 8 ASN HD22 1 1 5 2195 1 1 9 ASN N N 3.767 11.913 -11.206 1.00 . A A . 8 ASN N 1 1 5 2196 1 1 9 ASN ND2 N 6.699 13.682 -8.419 1.00 . A A . 8 ASN ND2 1 1 5 2197 1 1 9 ASN O O 3.578 15.393 -11.856 1.00 . A A . 8 ASN O 1 1 5 2198 1 1 9 ASN OD1 O 4.679 14.644 -8.383 1.00 . A A . 8 ASN OD1 1 1 5 2199 1 1 10 LYS C C 0.237 14.269 -13.788 1.00 . A A . 9 LYS C 1 1 5 2200 1 1 10 LYS CA C 1.721 14.528 -13.728 1.00 . A A . 9 LYS CA 1 1 5 2201 1 1 10 LYS CB C 2.431 14.135 -15.056 1.00 . A A . 9 LYS CB 1 1 5 2202 1 1 10 LYS CD C 2.160 15.784 -17.027 1.00 . A A . 9 LYS CD 1 1 5 2203 1 1 10 LYS CE C 2.923 16.773 -17.946 1.00 . A A . 9 LYS CE 1 1 5 2204 1 1 10 LYS CG C 3.046 15.327 -15.840 1.00 . A A . 9 LYS CG 1 1 5 2205 1 1 10 LYS H H 2.029 12.773 -12.589 1.00 . A A . 9 LYS H 1 1 5 2206 1 1 10 LYS HA H 1.822 15.598 -13.498 1.00 . A A . 9 LYS HA 1 1 5 2207 1 1 10 LYS HB2 H 3.262 13.462 -14.797 1.00 . A A . 9 LYS HB2 1 1 5 2208 1 1 10 LYS HB3 H 1.751 13.571 -15.711 1.00 . A A . 9 LYS HB3 1 1 5 2209 1 1 10 LYS HD2 H 1.887 14.918 -17.652 1.00 . A A . 9 LYS HD2 1 1 5 2210 1 1 10 LYS HD3 H 1.235 16.245 -16.645 1.00 . A A . 9 LYS HD3 1 1 5 2211 1 1 10 LYS HE2 H 3.755 16.244 -18.440 1.00 . A A . 9 LYS HE2 1 1 5 2212 1 1 10 LYS HE3 H 2.227 17.120 -18.729 1.00 . A A . 9 LYS HE3 1 1 5 2213 1 1 10 LYS HG2 H 3.240 16.172 -15.165 1.00 . A A . 9 LYS HG2 1 1 5 2214 1 1 10 LYS HG3 H 4.012 15.003 -16.255 1.00 . A A . 9 LYS HG3 1 1 5 2215 1 1 10 LYS HZ1 H 4.318 17.688 -16.614 1.00 . A A . 9 LYS HZ1 1 1 5 2216 1 1 10 LYS HZ2 H 2.703 18.399 -16.600 1.00 . A A . 9 LYS HZ2 1 1 5 2217 1 1 10 LYS HZ3 H 3.815 18.682 -17.924 1.00 . A A . 9 LYS HZ3 1 1 5 2218 1 1 10 LYS N N 2.293 13.725 -12.649 1.00 . A A . 9 LYS N 1 1 5 2219 1 1 10 LYS NZ N 3.461 17.943 -17.222 1.00 . A A . 9 LYS NZ 1 1 5 2220 1 1 10 LYS O O -0.528 15.206 -13.628 1.00 . A A . 9 LYS O 1 1 5 2221 1 1 11 CYS C C -2.025 12.082 -12.636 1.00 . A A . 10 CYS C 1 1 5 2222 1 1 11 CYS CA C -1.611 12.699 -13.957 1.00 . A A . 10 CYS CA 1 1 5 2223 1 1 11 CYS CB C -1.925 11.749 -15.130 1.00 . A A . 10 CYS CB 1 1 5 2224 1 1 11 CYS H H 0.442 12.255 -14.163 1.00 . A A . 10 CYS H 1 1 5 2225 1 1 11 CYS HA H -2.225 13.595 -14.134 1.00 . A A . 10 CYS HA 1 1 5 2226 1 1 11 CYS HB2 H -3.001 11.578 -15.146 1.00 . A A . 10 CYS HB2 1 1 5 2227 1 1 11 CYS HB3 H -1.592 12.159 -16.095 1.00 . A A . 10 CYS HB3 1 1 5 2228 1 1 11 CYS N N -0.189 13.008 -14.003 1.00 . A A . 10 CYS N 1 1 5 2229 1 1 11 CYS O O -3.202 11.804 -12.472 1.00 . A A . 10 CYS O 1 1 5 2230 1 1 11 CYS SG S -1.139 10.151 -14.894 1.00 . A A . 10 CYS SG 1 1 5 2231 1 1 12 CYS C C -2.008 9.843 -10.532 1.00 . A A . 11 CYS C 1 1 5 2232 1 1 12 CYS CA C -1.478 11.250 -10.398 1.00 . A A . 11 CYS CA 1 1 5 2233 1 1 12 CYS CB C -2.476 12.177 -9.661 1.00 . A A . 11 CYS CB 1 1 5 2234 1 1 12 CYS H H -0.142 12.101 -11.781 1.00 . A A . 11 CYS H 1 1 5 2235 1 1 12 CYS HA H -0.570 11.164 -9.786 1.00 . A A . 11 CYS HA 1 1 5 2236 1 1 12 CYS HB2 H -2.293 13.219 -9.964 1.00 . A A . 11 CYS HB2 1 1 5 2237 1 1 12 CYS HB3 H -3.513 11.911 -9.920 1.00 . A A . 11 CYS HB3 1 1 5 2238 1 1 12 CYS HG H -1.284 12.263 -7.797 1.00 . A A . 11 CYS HG 1 1 5 2239 1 1 12 CYS N N -1.101 11.854 -11.673 1.00 . A A . 11 CYS N 1 1 5 2240 1 1 12 CYS O O -2.663 9.354 -9.626 1.00 . A A . 11 CYS O 1 1 5 2241 1 1 12 CYS SG S -2.270 12.056 -7.853 1.00 . A A . 11 CYS SG 1 1 5 2242 1 1 13 LEU C C -1.338 6.872 -11.193 1.00 . A A . 12 LEU C 1 1 5 2243 1 1 13 LEU CA C -2.261 7.840 -11.896 1.00 . A A . 12 LEU CA 1 1 5 2244 1 1 13 LEU CB C -2.287 7.519 -13.412 1.00 . A A . 12 LEU CB 1 1 5 2245 1 1 13 LEU CD1 C -4.474 6.303 -14.094 1.00 . A A . 12 LEU CD1 1 1 5 2246 1 1 13 LEU CD2 C -2.179 5.368 -14.844 1.00 . A A . 12 LEU CD2 1 1 5 2247 1 1 13 LEU CG C -2.961 6.153 -13.747 1.00 . A A . 12 LEU CG 1 1 5 2248 1 1 13 LEU H H -1.131 9.554 -12.354 1.00 . A A . 12 LEU H 1 1 5 2249 1 1 13 LEU HA H -3.302 7.803 -11.541 1.00 . A A . 12 LEU HA 1 1 5 2250 1 1 13 LEU HB2 H -2.829 8.322 -13.929 1.00 . A A . 12 LEU HB2 1 1 5 2251 1 1 13 LEU HB3 H -1.236 7.543 -13.732 1.00 . A A . 12 LEU HB3 1 1 5 2252 1 1 13 LEU HD11 H -4.655 6.160 -15.167 1.00 . A A . 12 LEU HD11 1 1 5 2253 1 1 13 LEU HD12 H -4.871 7.288 -13.809 1.00 . A A . 12 LEU HD12 1 1 5 2254 1 1 13 LEU HD13 H -5.060 5.542 -13.558 1.00 . A A . 12 LEU HD13 1 1 5 2255 1 1 13 LEU HD21 H -2.819 4.920 -15.617 1.00 . A A . 12 LEU HD21 1 1 5 2256 1 1 13 LEU HD22 H -1.634 4.544 -14.367 1.00 . A A . 12 LEU HD22 1 1 5 2257 1 1 13 LEU HD23 H -1.446 6.001 -15.358 1.00 . A A . 12 LEU HD23 1 1 5 2258 1 1 13 LEU HG H -2.920 5.535 -12.837 1.00 . A A . 12 LEU HG 1 1 5 2259 1 1 13 LEU N N -1.729 9.170 -11.665 1.00 . A A . 12 LEU N 1 1 5 2260 1 1 13 LEU O O -0.145 6.862 -11.462 1.00 . A A . 12 LEU O 1 1 5 2261 1 1 14 ASN C C -0.617 3.987 -10.559 1.00 . A A . 13 ASN C 1 1 5 2262 1 1 14 ASN CA C -1.097 5.046 -9.600 1.00 . A A . 13 ASN CA 1 1 5 2263 1 1 14 ASN CB C -1.865 4.442 -8.397 1.00 . A A . 13 ASN CB 1 1 5 2264 1 1 14 ASN CG C -1.586 2.978 -8.243 1.00 . A A . 13 ASN CG 1 1 5 2265 1 1 14 ASN H H -2.870 6.123 -10.078 1.00 . A A . 13 ASN H 1 1 5 2266 1 1 14 ASN HA H -0.210 5.524 -9.194 1.00 . A A . 13 ASN HA 1 1 5 2267 1 1 14 ASN HB2 H -1.615 4.982 -7.472 1.00 . A A . 13 ASN HB2 1 1 5 2268 1 1 14 ASN HB3 H -2.953 4.513 -8.526 1.00 . A A . 13 ASN HB3 1 1 5 2269 1 1 14 ASN HD21 H 0.072 3.228 -7.048 1.00 . A A . 13 ASN HD21 1 1 5 2270 1 1 14 ASN HD22 H -0.467 1.593 -7.354 1.00 . A A . 13 ASN HD22 1 1 5 2271 1 1 14 ASN N N -1.895 6.057 -10.279 1.00 . A A . 13 ASN N 1 1 5 2272 1 1 14 ASN ND2 N -0.555 2.580 -7.485 1.00 . A A . 13 ASN ND2 1 1 5 2273 1 1 14 ASN O O -1.358 3.660 -11.472 1.00 . A A . 13 ASN O 1 1 5 2274 1 1 14 ASN OD1 O -2.313 2.177 -8.806 1.00 . A A . 13 ASN OD1 1 1 5 2275 1 1 15 ASN C C 1.991 1.430 -10.535 1.00 . A A . 14 ASN C 1 1 5 2276 1 1 15 ASN CA C 1.089 2.400 -11.259 1.00 . A A . 14 ASN CA 1 1 5 2277 1 1 15 ASN CB C 1.943 3.015 -12.384 1.00 . A A . 14 ASN CB 1 1 5 2278 1 1 15 ASN CG C 1.082 3.698 -13.407 1.00 . A A . 14 ASN CG 1 1 5 2279 1 1 15 ASN H H 1.239 3.753 -9.648 1.00 . A A . 14 ASN H 1 1 5 2280 1 1 15 ASN HA H 0.236 1.861 -11.695 1.00 . A A . 14 ASN HA 1 1 5 2281 1 1 15 ASN HB2 H 2.669 3.697 -11.928 1.00 . A A . 14 ASN HB2 1 1 5 2282 1 1 15 ASN HB3 H 2.514 2.231 -12.890 1.00 . A A . 14 ASN HB3 1 1 5 2283 1 1 15 ASN HD21 H 1.592 5.589 -12.786 1.00 . A A . 14 ASN HD21 1 1 5 2284 1 1 15 ASN HD22 H 0.548 5.517 -14.136 1.00 . A A . 14 ASN HD22 1 1 5 2285 1 1 15 ASN N N 0.609 3.443 -10.368 1.00 . A A . 14 ASN N 1 1 5 2286 1 1 15 ASN ND2 N 1.080 5.043 -13.444 1.00 . A A . 14 ASN ND2 1 1 5 2287 1 1 15 ASN O O 2.863 1.877 -9.805 1.00 . A A . 14 ASN O 1 1 5 2288 1 1 15 ASN OD1 O 0.426 3.011 -14.176 1.00 . A A . 14 ASN OD1 1 1 5 2289 1 1 16 PHE C C 4.077 -0.556 -10.147 1.00 . A A . 15 PHE C 1 1 5 2290 1 1 16 PHE CA C 2.606 -0.886 -10.073 1.00 . A A . 15 PHE CA 1 1 5 2291 1 1 16 PHE CB C 2.378 -2.342 -10.574 1.00 . A A . 15 PHE CB 1 1 5 2292 1 1 16 PHE CD1 C 0.323 -3.210 -9.354 1.00 . A A . 15 PHE CD1 1 1 5 2293 1 1 16 PHE CD2 C 2.493 -3.983 -8.631 1.00 . A A . 15 PHE CD2 1 1 5 2294 1 1 16 PHE CE1 C -0.286 -4.036 -8.407 1.00 . A A . 15 PHE CE1 1 1 5 2295 1 1 16 PHE CE2 C 1.884 -4.813 -7.689 1.00 . A A . 15 PHE CE2 1 1 5 2296 1 1 16 PHE CG C 1.715 -3.200 -9.490 1.00 . A A . 15 PHE CG 1 1 5 2297 1 1 16 PHE CZ C 0.493 -4.843 -7.576 1.00 . A A . 15 PHE CZ 1 1 5 2298 1 1 16 PHE H H 1.024 -0.218 -11.298 1.00 . A A . 15 PHE H 1 1 5 2299 1 1 16 PHE HA H 2.285 -0.845 -9.030 1.00 . A A . 15 PHE HA 1 1 5 2300 1 1 16 PHE HB2 H 1.754 -2.373 -11.479 1.00 . A A . 15 PHE HB2 1 1 5 2301 1 1 16 PHE HB3 H 3.339 -2.800 -10.846 1.00 . A A . 15 PHE HB3 1 1 5 2302 1 1 16 PHE HD1 H -0.293 -2.577 -9.982 1.00 . A A . 15 PHE HD1 1 1 5 2303 1 1 16 PHE HD2 H 3.576 -3.952 -8.686 1.00 . A A . 15 PHE HD2 1 1 5 2304 1 1 16 PHE HE1 H -1.367 -4.049 -8.313 1.00 . A A . 15 PHE HE1 1 1 5 2305 1 1 16 PHE HE2 H 2.490 -5.436 -7.040 1.00 . A A . 15 PHE HE2 1 1 5 2306 1 1 16 PHE HZ H 0.020 -5.491 -6.845 1.00 . A A . 15 PHE HZ 1 1 5 2307 1 1 16 PHE N N 1.786 0.109 -10.748 1.00 . A A . 15 PHE N 1 1 5 2308 1 1 16 PHE O O 4.540 -0.024 -11.142 1.00 . A A . 15 PHE O 1 1 5 2309 1 1 17 ARG C C 6.973 -1.270 -10.208 1.00 . A A . 16 ARG C 1 1 5 2310 1 1 17 ARG CA C 6.261 -0.579 -9.076 1.00 . A A . 16 ARG CA 1 1 5 2311 1 1 17 ARG CB C 6.934 -0.987 -7.741 1.00 . A A . 16 ARG CB 1 1 5 2312 1 1 17 ARG CD C 9.046 0.493 -7.634 1.00 . A A . 16 ARG CD 1 1 5 2313 1 1 17 ARG CG C 7.679 0.148 -7.007 1.00 . A A . 16 ARG CG 1 1 5 2314 1 1 17 ARG CZ C 10.091 1.775 -5.811 1.00 . A A . 16 ARG CZ 1 1 5 2315 1 1 17 ARG H H 4.411 -1.378 -8.317 1.00 . A A . 16 ARG H 1 1 5 2316 1 1 17 ARG HA H 6.372 0.488 -9.262 1.00 . A A . 16 ARG HA 1 1 5 2317 1 1 17 ARG HB2 H 6.194 -1.355 -7.017 1.00 . A A . 16 ARG HB2 1 1 5 2318 1 1 17 ARG HB3 H 7.640 -1.787 -7.971 1.00 . A A . 16 ARG HB3 1 1 5 2319 1 1 17 ARG HD2 H 9.770 -0.331 -7.580 1.00 . A A . 16 ARG HD2 1 1 5 2320 1 1 17 ARG HD3 H 8.883 0.703 -8.702 1.00 . A A . 16 ARG HD3 1 1 5 2321 1 1 17 ARG HE H 9.391 2.577 -7.537 1.00 . A A . 16 ARG HE 1 1 5 2322 1 1 17 ARG HG2 H 7.047 1.045 -6.998 1.00 . A A . 16 ARG HG2 1 1 5 2323 1 1 17 ARG HG3 H 7.839 -0.165 -5.966 1.00 . A A . 16 ARG HG3 1 1 5 2324 1 1 17 ARG HH11 H 10.053 -0.213 -5.337 1.00 . A A . 16 ARG HH11 1 1 5 2325 1 1 17 ARG HH12 H 10.744 0.840 -4.121 1.00 . A A . 16 ARG HH12 1 1 5 2326 1 1 17 ARG HH21 H 10.324 3.801 -5.888 1.00 . A A . 16 ARG HH21 1 1 5 2327 1 1 17 ARG HH22 H 10.912 3.039 -4.428 1.00 . A A . 16 ARG HH22 1 1 5 2328 1 1 17 ARG N N 4.834 -0.896 -9.086 1.00 . A A . 16 ARG N 1 1 5 2329 1 1 17 ARG NE N 9.524 1.716 -6.996 1.00 . A A . 16 ARG NE 1 1 5 2330 1 1 17 ARG NH1 N 10.308 0.734 -5.048 1.00 . A A . 16 ARG NH1 1 1 5 2331 1 1 17 ARG NH2 N 10.465 2.944 -5.351 1.00 . A A . 16 ARG NH2 1 1 5 2332 1 1 17 ARG O O 7.951 -0.757 -10.725 1.00 . A A . 16 ARG O 1 1 5 2333 1 1 18 LYS C C 7.163 -2.191 -12.923 1.00 . A A . 17 LYS C 1 1 5 2334 1 1 18 LYS CA C 6.992 -3.147 -11.761 1.00 . A A . 17 LYS CA 1 1 5 2335 1 1 18 LYS CB C 5.994 -4.269 -12.177 1.00 . A A . 17 LYS CB 1 1 5 2336 1 1 18 LYS CD C 7.575 -5.406 -13.860 1.00 . A A . 17 LYS CD 1 1 5 2337 1 1 18 LYS CE C 7.510 -6.650 -14.784 1.00 . A A . 17 LYS CE 1 1 5 2338 1 1 18 LYS CG C 6.695 -5.582 -12.598 1.00 . A A . 17 LYS CG 1 1 5 2339 1 1 18 LYS H H 5.723 -2.852 -10.060 1.00 . A A . 17 LYS H 1 1 5 2340 1 1 18 LYS HA H 7.969 -3.569 -11.484 1.00 . A A . 17 LYS HA 1 1 5 2341 1 1 18 LYS HB2 H 5.347 -4.586 -11.346 1.00 . A A . 17 LYS HB2 1 1 5 2342 1 1 18 LYS HB3 H 5.332 -3.911 -12.982 1.00 . A A . 17 LYS HB3 1 1 5 2343 1 1 18 LYS HD2 H 7.240 -4.539 -14.445 1.00 . A A . 17 LYS HD2 1 1 5 2344 1 1 18 LYS HD3 H 8.614 -5.225 -13.540 1.00 . A A . 17 LYS HD3 1 1 5 2345 1 1 18 LYS HE2 H 8.457 -6.729 -15.341 1.00 . A A . 17 LYS HE2 1 1 5 2346 1 1 18 LYS HE3 H 7.388 -7.570 -14.189 1.00 . A A . 17 LYS HE3 1 1 5 2347 1 1 18 LYS HG2 H 7.312 -5.956 -11.764 1.00 . A A . 17 LYS HG2 1 1 5 2348 1 1 18 LYS HG3 H 5.897 -6.317 -12.782 1.00 . A A . 17 LYS HG3 1 1 5 2349 1 1 18 LYS HZ1 H 5.444 -6.433 -15.284 1.00 . A A . 17 LYS HZ1 1 1 5 2350 1 1 18 LYS HZ2 H 6.384 -7.380 -16.416 1.00 . A A . 17 LYS HZ2 1 1 5 2351 1 1 18 LYS HZ3 H 6.545 -5.659 -16.404 1.00 . A A . 17 LYS HZ3 1 1 5 2352 1 1 18 LYS N N 6.463 -2.452 -10.593 1.00 . A A . 17 LYS N 1 1 5 2353 1 1 18 LYS NZ N 6.409 -6.519 -15.763 1.00 . A A . 17 LYS NZ 1 1 5 2354 1 1 18 LYS O O 8.085 -2.336 -13.710 1.00 . A A . 17 LYS O 1 1 5 2355 1 1 19 ARG C C 7.497 0.635 -14.048 1.00 . A A . 18 ARG C 1 1 5 2356 1 1 19 ARG CA C 6.316 -0.300 -14.195 1.00 . A A . 18 ARG CA 1 1 5 2357 1 1 19 ARG CB C 5.030 0.568 -14.284 1.00 . A A . 18 ARG CB 1 1 5 2358 1 1 19 ARG CD C 3.253 -0.242 -16.003 1.00 . A A . 18 ARG CD 1 1 5 2359 1 1 19 ARG CG C 4.398 0.763 -15.693 1.00 . A A . 18 ARG CG 1 1 5 2360 1 1 19 ARG CZ C 0.906 -0.565 -15.305 1.00 . A A . 18 ARG CZ 1 1 5 2361 1 1 19 ARG H H 5.560 -1.063 -12.350 1.00 . A A . 18 ARG H 1 1 5 2362 1 1 19 ARG HA H 6.409 -0.914 -15.105 1.00 . A A . 18 ARG HA 1 1 5 2363 1 1 19 ARG HB2 H 4.267 0.145 -13.631 1.00 . A A . 18 ARG HB2 1 1 5 2364 1 1 19 ARG HB3 H 5.276 1.548 -13.870 1.00 . A A . 18 ARG HB3 1 1 5 2365 1 1 19 ARG HD2 H 2.967 -0.033 -17.044 1.00 . A A . 18 ARG HD2 1 1 5 2366 1 1 19 ARG HD3 H 3.644 -1.269 -15.921 1.00 . A A . 18 ARG HD3 1 1 5 2367 1 1 19 ARG HE H 2.234 0.525 -14.294 1.00 . A A . 18 ARG HE 1 1 5 2368 1 1 19 ARG HG2 H 3.959 1.772 -15.744 1.00 . A A . 18 ARG HG2 1 1 5 2369 1 1 19 ARG HG3 H 5.158 0.692 -16.483 1.00 . A A . 18 ARG HG3 1 1 5 2370 1 1 19 ARG HH11 H 1.290 -1.545 -17.052 1.00 . A A . 18 ARG HH11 1 1 5 2371 1 1 19 ARG HH12 H -0.363 -1.659 -16.461 1.00 . A A . 18 ARG HH12 1 1 5 2372 1 1 19 ARG HH21 H 0.163 0.278 -13.595 1.00 . A A . 18 ARG HH21 1 1 5 2373 1 1 19 ARG HH22 H -0.979 -0.682 -14.521 1.00 . A A . 18 ARG HH22 1 1 5 2374 1 1 19 ARG N N 6.257 -1.201 -13.052 1.00 . A A . 18 ARG N 1 1 5 2375 1 1 19 ARG NE N 2.101 -0.066 -15.112 1.00 . A A . 18 ARG NE 1 1 5 2376 1 1 19 ARG NH1 N 0.596 -1.304 -16.336 1.00 . A A . 18 ARG NH1 1 1 5 2377 1 1 19 ARG NH2 N -0.025 -0.310 -14.418 1.00 . A A . 18 ARG NH2 1 1 5 2378 1 1 19 ARG O O 8.019 0.799 -12.958 1.00 . A A . 18 ARG O 1 1 5 2379 1 1 20 LEU C C 8.439 3.640 -15.478 1.00 . A A . 19 LEU C 1 1 5 2380 1 1 20 LEU CA C 8.966 2.252 -15.180 1.00 . A A . 19 LEU CA 1 1 5 2381 1 1 20 LEU CB C 10.090 1.870 -16.185 1.00 . A A . 19 LEU CB 1 1 5 2382 1 1 20 LEU CD1 C 10.513 1.922 -18.749 1.00 . A A . 19 LEU CD1 1 1 5 2383 1 1 20 LEU CD2 C 9.440 -0.102 -17.708 1.00 . A A . 19 LEU CD2 1 1 5 2384 1 1 20 LEU CG C 9.586 1.442 -17.600 1.00 . A A . 19 LEU CG 1 1 5 2385 1 1 20 LEU H H 7.405 1.075 -16.011 1.00 . A A . 19 LEU H 1 1 5 2386 1 1 20 LEU HA H 9.444 2.322 -14.190 1.00 . A A . 19 LEU HA 1 1 5 2387 1 1 20 LEU HB2 H 10.756 2.744 -16.252 1.00 . A A . 19 LEU HB2 1 1 5 2388 1 1 20 LEU HB3 H 10.676 1.048 -15.747 1.00 . A A . 19 LEU HB3 1 1 5 2389 1 1 20 LEU HD11 H 11.366 1.242 -18.879 1.00 . A A . 19 LEU HD11 1 1 5 2390 1 1 20 LEU HD12 H 10.910 2.931 -18.575 1.00 . A A . 19 LEU HD12 1 1 5 2391 1 1 20 LEU HD13 H 9.933 1.945 -19.687 1.00 . A A . 19 LEU HD13 1 1 5 2392 1 1 20 LEU HD21 H 8.699 -0.513 -17.011 1.00 . A A . 19 LEU HD21 1 1 5 2393 1 1 20 LEU HD22 H 10.403 -0.591 -17.497 1.00 . A A . 19 LEU HD22 1 1 5 2394 1 1 20 LEU HD23 H 9.134 -0.372 -18.730 1.00 . A A . 19 LEU HD23 1 1 5 2395 1 1 20 LEU HG H 8.616 1.917 -17.803 1.00 . A A . 19 LEU HG 1 1 5 2396 1 1 20 LEU N N 7.886 1.271 -15.170 1.00 . A A . 19 LEU N 1 1 5 2397 1 1 20 LEU O O 9.023 4.578 -14.962 1.00 . A A . 19 LEU O 1 1 5 2398 1 1 21 LYS C C 5.432 5.136 -16.725 1.00 . A A . 20 LYS C 1 1 5 2399 1 1 21 LYS CA C 6.929 5.171 -16.626 1.00 . A A . 20 LYS CA 1 1 5 2400 1 1 21 LYS CB C 7.483 5.629 -18.001 1.00 . A A . 20 LYS CB 1 1 5 2401 1 1 21 LYS CD C 9.654 5.790 -19.440 1.00 . A A . 20 LYS CD 1 1 5 2402 1 1 21 LYS CE C 10.110 7.265 -19.572 1.00 . A A . 20 LYS CE 1 1 5 2403 1 1 21 LYS CG C 9.014 5.428 -18.071 1.00 . A A . 20 LYS CG 1 1 5 2404 1 1 21 LYS H H 6.838 3.102 -16.716 1.00 . A A . 20 LYS H 1 1 5 2405 1 1 21 LYS HA H 7.192 5.862 -15.817 1.00 . A A . 20 LYS HA 1 1 5 2406 1 1 21 LYS HB2 H 7.020 5.006 -18.782 1.00 . A A . 20 LYS HB2 1 1 5 2407 1 1 21 LYS HB3 H 7.204 6.674 -18.186 1.00 . A A . 20 LYS HB3 1 1 5 2408 1 1 21 LYS HD2 H 10.572 5.189 -19.525 1.00 . A A . 20 LYS HD2 1 1 5 2409 1 1 21 LYS HD3 H 8.993 5.511 -20.274 1.00 . A A . 20 LYS HD3 1 1 5 2410 1 1 21 LYS HE2 H 10.547 7.584 -18.617 1.00 . A A . 20 LYS HE2 1 1 5 2411 1 1 21 LYS HE3 H 10.928 7.299 -20.309 1.00 . A A . 20 LYS HE3 1 1 5 2412 1 1 21 LYS HG2 H 9.515 5.944 -17.244 1.00 . A A . 20 LYS HG2 1 1 5 2413 1 1 21 LYS HG3 H 9.175 4.355 -17.929 1.00 . A A . 20 LYS HG3 1 1 5 2414 1 1 21 LYS HZ1 H 9.022 9.054 -19.369 1.00 . A A . 20 LYS HZ1 1 1 5 2415 1 1 21 LYS HZ2 H 8.047 7.813 -20.101 1.00 . A A . 20 LYS HZ2 1 1 5 2416 1 1 21 LYS HZ3 H 9.280 8.614 -20.996 1.00 . A A . 20 LYS HZ3 1 1 5 2417 1 1 21 LYS N N 7.368 3.827 -16.287 1.00 . A A . 20 LYS N 1 1 5 2418 1 1 21 LYS NZ N 9.053 8.202 -20.023 1.00 . A A . 20 LYS NZ 1 1 5 2419 1 1 21 LYS O O 4.885 4.079 -17.001 1.00 . A A . 20 LYS O 1 1 5 2420 1 1 22 CYS C C 2.813 5.880 -17.870 1.00 . A A . 21 CYS C 1 1 5 2421 1 1 22 CYS CA C 3.319 6.265 -16.508 1.00 . A A . 21 CYS CA 1 1 5 2422 1 1 22 CYS CB C 2.802 7.652 -16.092 1.00 . A A . 21 CYS CB 1 1 5 2423 1 1 22 CYS H H 5.246 7.139 -16.293 1.00 . A A . 21 CYS H 1 1 5 2424 1 1 22 CYS HA H 2.946 5.544 -15.769 1.00 . A A . 21 CYS HA 1 1 5 2425 1 1 22 CYS HB2 H 3.236 7.936 -15.123 1.00 . A A . 21 CYS HB2 1 1 5 2426 1 1 22 CYS HB3 H 3.066 8.405 -16.850 1.00 . A A . 21 CYS HB3 1 1 5 2427 1 1 22 CYS N N 4.767 6.278 -16.489 1.00 . A A . 21 CYS N 1 1 5 2428 1 1 22 CYS O O 3.239 6.467 -18.850 1.00 . A A . 21 CYS O 1 1 5 2429 1 1 22 CYS SG S 1.007 7.506 -15.892 1.00 . A A . 21 CYS SG 1 1 5 2430 1 1 23 PHE C C 0.329 5.451 -19.725 1.00 . A A . 22 PHE C 1 1 5 2431 1 1 23 PHE CA C 1.375 4.472 -19.233 1.00 . A A . 22 PHE CA 1 1 5 2432 1 1 23 PHE CB C 0.774 3.056 -19.043 1.00 . A A . 22 PHE CB 1 1 5 2433 1 1 23 PHE CD1 C 1.917 1.573 -20.744 1.00 . A A . 22 PHE CD1 1 1 5 2434 1 1 23 PHE CD2 C -0.351 2.287 -21.188 1.00 . A A . 22 PHE CD2 1 1 5 2435 1 1 23 PHE CE1 C 1.923 0.843 -21.934 1.00 . A A . 22 PHE CE1 1 1 5 2436 1 1 23 PHE CE2 C -0.344 1.557 -22.378 1.00 . A A . 22 PHE CE2 1 1 5 2437 1 1 23 PHE CG C 0.777 2.288 -20.364 1.00 . A A . 22 PHE CG 1 1 5 2438 1 1 23 PHE CZ C 0.791 0.833 -22.750 1.00 . A A . 22 PHE CZ 1 1 5 2439 1 1 23 PHE H H 1.530 4.460 -17.116 1.00 . A A . 22 PHE H 1 1 5 2440 1 1 23 PHE HA H 2.203 4.410 -19.958 1.00 . A A . 22 PHE HA 1 1 5 2441 1 1 23 PHE HB2 H 1.392 2.470 -18.344 1.00 . A A . 22 PHE HB2 1 1 5 2442 1 1 23 PHE HB3 H -0.239 3.129 -18.620 1.00 . A A . 22 PHE HB3 1 1 5 2443 1 1 23 PHE HD1 H 2.805 1.583 -20.121 1.00 . A A . 22 PHE HD1 1 1 5 2444 1 1 23 PHE HD2 H -1.232 2.854 -20.909 1.00 . A A . 22 PHE HD2 1 1 5 2445 1 1 23 PHE HE1 H 2.808 0.285 -22.221 1.00 . A A . 22 PHE HE1 1 1 5 2446 1 1 23 PHE HE2 H -1.223 1.551 -23.014 1.00 . A A . 22 PHE HE2 1 1 5 2447 1 1 23 PHE HZ H 0.794 0.265 -23.673 1.00 . A A . 22 PHE HZ 1 1 5 2448 1 1 23 PHE N N 1.899 4.890 -17.942 1.00 . A A . 22 PHE N 1 1 5 2449 1 1 23 PHE O O 0.046 5.476 -20.912 1.00 . A A . 22 PHE O 1 1 5 2450 1 1 24 ARG C C -0.674 8.406 -19.933 1.00 . A A . 23 ARG C 1 1 5 2451 1 1 24 ARG CA C -1.287 7.226 -19.210 1.00 . A A . 23 ARG CA 1 1 5 2452 1 1 24 ARG CB C -2.065 7.713 -17.952 1.00 . A A . 23 ARG CB 1 1 5 2453 1 1 24 ARG CD C -3.995 9.302 -17.228 1.00 . A A . 23 ARG CD 1 1 5 2454 1 1 24 ARG CG C -3.455 8.304 -18.298 1.00 . A A . 23 ARG CG 1 1 5 2455 1 1 24 ARG CZ C -5.860 9.609 -15.657 1.00 . A A . 23 ARG CZ 1 1 5 2456 1 1 24 ARG H H -0.030 6.214 -17.860 1.00 . A A . 23 ARG H 1 1 5 2457 1 1 24 ARG HA H -2.006 6.712 -19.868 1.00 . A A . 23 ARG HA 1 1 5 2458 1 1 24 ARG HB2 H -2.262 6.857 -17.300 1.00 . A A . 23 ARG HB2 1 1 5 2459 1 1 24 ARG HB3 H -1.451 8.431 -17.395 1.00 . A A . 23 ARG HB3 1 1 5 2460 1 1 24 ARG HD2 H -3.226 9.511 -16.477 1.00 . A A . 23 ARG HD2 1 1 5 2461 1 1 24 ARG HD3 H -4.211 10.228 -17.779 1.00 . A A . 23 ARG HD3 1 1 5 2462 1 1 24 ARG HE H -5.392 7.849 -16.532 1.00 . A A . 23 ARG HE 1 1 5 2463 1 1 24 ARG HG2 H -3.363 8.837 -19.257 1.00 . A A . 23 ARG HG2 1 1 5 2464 1 1 24 ARG HG3 H -4.152 7.465 -18.455 1.00 . A A . 23 ARG HG3 1 1 5 2465 1 1 24 ARG HH11 H -5.000 11.406 -16.100 1.00 . A A . 23 ARG HH11 1 1 5 2466 1 1 24 ARG HH12 H -6.245 11.457 -14.874 1.00 . A A . 23 ARG HH12 1 1 5 2467 1 1 24 ARG HH21 H -7.000 8.051 -14.987 1.00 . A A . 23 ARG HH21 1 1 5 2468 1 1 24 ARG HH22 H -7.385 9.624 -14.299 1.00 . A A . 23 ARG HH22 1 1 5 2469 1 1 24 ARG N N -0.263 6.264 -18.821 1.00 . A A . 23 ARG N 1 1 5 2470 1 1 24 ARG NE N -5.149 8.841 -16.454 1.00 . A A . 23 ARG NE 1 1 5 2471 1 1 24 ARG NH1 N -5.682 10.901 -15.533 1.00 . A A . 23 ARG NH1 1 1 5 2472 1 1 24 ARG NH2 N -6.808 9.061 -14.939 1.00 . A A . 23 ARG NH2 1 1 5 2473 1 1 24 ARG O O -0.991 8.596 -21.096 1.00 . A A . 23 ARG O 1 1 5 2474 1 1 25 CYS C C 2.024 9.921 -20.709 1.00 . A A . 24 CYS C 1 1 5 2475 1 1 25 CYS CA C 0.782 10.362 -19.968 1.00 . A A . 24 CYS CA 1 1 5 2476 1 1 25 CYS CB C 1.038 11.561 -19.012 1.00 . A A . 24 CYS CB 1 1 5 2477 1 1 25 CYS H H 0.502 9.034 -18.351 1.00 . A A . 24 CYS H 1 1 5 2478 1 1 25 CYS HA H 0.066 10.761 -20.706 1.00 . A A . 24 CYS HA 1 1 5 2479 1 1 25 CYS HB2 H 1.424 12.422 -19.576 1.00 . A A . 24 CYS HB2 1 1 5 2480 1 1 25 CYS HB3 H 0.102 11.850 -18.510 1.00 . A A . 24 CYS HB3 1 1 5 2481 1 1 25 CYS N N 0.192 9.218 -19.281 1.00 . A A . 24 CYS N 1 1 5 2482 1 1 25 CYS O O 2.430 10.640 -21.610 1.00 . A A . 24 CYS O 1 1 5 2483 1 1 25 CYS SG S 2.252 11.263 -17.708 1.00 . A A . 24 CYS SG 1 1 5 2484 1 1 26 GLY C C 5.108 8.847 -20.298 1.00 . A A . 25 GLY C 1 1 5 2485 1 1 26 GLY CA C 3.880 8.359 -21.037 1.00 . A A . 25 GLY CA 1 1 5 2486 1 1 26 GLY H H 2.343 8.174 -19.619 1.00 . A A . 25 GLY H 1 1 5 2487 1 1 26 GLY HA2 H 3.918 7.262 -21.098 1.00 . A A . 25 GLY HA2 1 1 5 2488 1 1 26 GLY HA3 H 3.908 8.738 -22.070 1.00 . A A . 25 GLY HA3 1 1 5 2489 1 1 26 GLY N N 2.646 8.765 -20.369 1.00 . A A . 25 GLY N 1 1 5 2490 1 1 26 GLY O O 6.212 8.421 -20.610 1.00 . A A . 25 GLY O 1 1 5 2491 1 1 27 ALA C C 6.575 9.494 -17.556 1.00 . A A . 26 ALA C 1 1 5 2492 1 1 27 ALA CA C 6.076 10.383 -18.665 1.00 . A A . 26 ALA CA 1 1 5 2493 1 1 27 ALA CB C 5.726 11.776 -18.078 1.00 . A A . 26 ALA CB 1 1 5 2494 1 1 27 ALA H H 4.045 10.043 -19.018 1.00 . A A . 26 ALA H 1 1 5 2495 1 1 27 ALA HA H 6.859 10.534 -19.424 1.00 . A A . 26 ALA HA 1 1 5 2496 1 1 27 ALA HB1 H 5.390 11.684 -17.034 1.00 . A A . 26 ALA HB1 1 1 5 2497 1 1 27 ALA HB2 H 6.614 12.424 -18.103 1.00 . A A . 26 ALA HB2 1 1 5 2498 1 1 27 ALA HB3 H 4.934 12.262 -18.666 1.00 . A A . 26 ALA HB3 1 1 5 2499 1 1 27 ALA N N 4.941 9.762 -19.321 1.00 . A A . 26 ALA N 1 1 5 2500 1 1 27 ALA O O 5.852 8.642 -17.065 1.00 . A A . 26 ALA O 1 1 5 2501 1 1 28 ASP C C 7.795 9.149 -14.788 1.00 . A A . 27 ASP C 1 1 5 2502 1 1 28 ASP CA C 8.430 8.866 -16.126 1.00 . A A . 27 ASP CA 1 1 5 2503 1 1 28 ASP CB C 9.968 9.029 -16.030 1.00 . A A . 27 ASP CB 1 1 5 2504 1 1 28 ASP CG C 10.624 7.771 -15.537 1.00 . A A . 27 ASP CG 1 1 5 2505 1 1 28 ASP H H 8.382 10.426 -17.580 1.00 . A A . 27 ASP H 1 1 5 2506 1 1 28 ASP HA H 8.243 7.832 -16.417 1.00 . A A . 27 ASP HA 1 1 5 2507 1 1 28 ASP HB2 H 10.391 9.283 -17.012 1.00 . A A . 27 ASP HB2 1 1 5 2508 1 1 28 ASP HB3 H 10.216 9.839 -15.335 1.00 . A A . 27 ASP HB3 1 1 5 2509 1 1 28 ASP N N 7.845 9.699 -17.163 1.00 . A A . 27 ASP N 1 1 5 2510 1 1 28 ASP O O 7.337 10.257 -14.559 1.00 . A A . 27 ASP O 1 1 5 2511 1 1 28 ASP OD1 O 10.243 7.320 -14.430 1.00 . A A . 27 ASP OD1 1 1 5 2512 1 1 28 ASP OD2 O 11.513 7.230 -16.248 1.00 . A A . 27 ASP OD2 1 1 5 2513 1 1 29 LYS C C 8.102 9.481 -11.830 1.00 . A A . 28 LYS C 1 1 5 2514 1 1 29 LYS CA C 7.300 8.405 -12.524 1.00 . A A . 28 LYS CA 1 1 5 2515 1 1 29 LYS CB C 7.363 7.101 -11.690 1.00 . A A . 28 LYS CB 1 1 5 2516 1 1 29 LYS CD C 9.410 6.476 -10.230 1.00 . A A . 28 LYS CD 1 1 5 2517 1 1 29 LYS CE C 8.960 5.254 -9.413 1.00 . A A . 28 LYS CE 1 1 5 2518 1 1 29 LYS CG C 8.781 6.469 -11.634 1.00 . A A . 28 LYS CG 1 1 5 2519 1 1 29 LYS H H 8.190 7.270 -14.107 1.00 . A A . 28 LYS H 1 1 5 2520 1 1 29 LYS HA H 6.249 8.734 -12.579 1.00 . A A . 28 LYS HA 1 1 5 2521 1 1 29 LYS HB2 H 6.935 7.275 -10.690 1.00 . A A . 28 LYS HB2 1 1 5 2522 1 1 29 LYS HB3 H 6.726 6.387 -12.212 1.00 . A A . 28 LYS HB3 1 1 5 2523 1 1 29 LYS HD2 H 10.509 6.456 -10.308 1.00 . A A . 28 LYS HD2 1 1 5 2524 1 1 29 LYS HD3 H 9.104 7.396 -9.717 1.00 . A A . 28 LYS HD3 1 1 5 2525 1 1 29 LYS HE2 H 7.870 5.297 -9.324 1.00 . A A . 28 LYS HE2 1 1 5 2526 1 1 29 LYS HE3 H 9.235 4.317 -9.930 1.00 . A A . 28 LYS HE3 1 1 5 2527 1 1 29 LYS HG2 H 8.764 5.446 -12.046 1.00 . A A . 28 LYS HG2 1 1 5 2528 1 1 29 LYS HG3 H 9.487 7.058 -12.219 1.00 . A A . 28 LYS HG3 1 1 5 2529 1 1 29 LYS HZ1 H 9.913 6.298 -7.787 1.00 . A A . 28 LYS HZ1 1 1 5 2530 1 1 29 LYS HZ2 H 10.513 4.726 -8.113 1.00 . A A . 28 LYS HZ2 1 1 5 2531 1 1 29 LYS HZ3 H 8.878 5.002 -7.342 1.00 . A A . 28 LYS HZ3 1 1 5 2532 1 1 29 LYS N N 7.786 8.158 -13.877 1.00 . A A . 28 LYS N 1 1 5 2533 1 1 29 LYS NZ N 9.601 5.306 -8.084 1.00 . A A . 28 LYS NZ 1 1 5 2534 1 1 29 LYS O O 7.590 10.058 -10.883 1.00 . A A . 28 LYS O 1 1 5 2535 1 1 30 PHE C C 10.373 11.940 -12.648 1.00 . A A . 29 PHE C 1 1 5 2536 1 1 30 PHE CA C 10.157 10.807 -11.672 1.00 . A A . 29 PHE CA 1 1 5 2537 1 1 30 PHE CB C 11.498 10.158 -11.221 1.00 . A A . 29 PHE CB 1 1 5 2538 1 1 30 PHE CD1 C 10.800 9.903 -8.801 1.00 . A A . 29 PHE CD1 1 1 5 2539 1 1 30 PHE CD2 C 12.918 10.964 -9.260 1.00 . A A . 29 PHE CD2 1 1 5 2540 1 1 30 PHE CE1 C 11.037 10.001 -7.431 1.00 . A A . 29 PHE CE1 1 1 5 2541 1 1 30 PHE CE2 C 13.149 11.083 -7.888 1.00 . A A . 29 PHE CE2 1 1 5 2542 1 1 30 PHE CG C 11.750 10.353 -9.722 1.00 . A A . 29 PHE CG 1 1 5 2543 1 1 30 PHE CZ C 12.214 10.595 -6.972 1.00 . A A . 29 PHE CZ 1 1 5 2544 1 1 30 PHE H H 9.754 9.265 -13.046 1.00 . A A . 29 PHE H 1 1 5 2545 1 1 30 PHE HA H 9.657 11.275 -10.811 1.00 . A A . 29 PHE HA 1 1 5 2546 1 1 30 PHE HB2 H 11.457 9.068 -11.371 1.00 . A A . 29 PHE HB2 1 1 5 2547 1 1 30 PHE HB3 H 12.345 10.529 -11.817 1.00 . A A . 29 PHE HB3 1 1 5 2548 1 1 30 PHE HD1 H 9.869 9.478 -9.147 1.00 . A A . 29 PHE HD1 1 1 5 2549 1 1 30 PHE HD2 H 13.653 11.348 -9.959 1.00 . A A . 29 PHE HD2 1 1 5 2550 1 1 30 PHE HE1 H 10.307 9.619 -6.725 1.00 . A A . 29 PHE HE1 1 1 5 2551 1 1 30 PHE HE2 H 14.058 11.555 -7.532 1.00 . A A . 29 PHE HE2 1 1 5 2552 1 1 30 PHE HZ H 12.400 10.679 -5.907 1.00 . A A . 29 PHE HZ 1 1 5 2553 1 1 30 PHE N N 9.345 9.759 -12.279 1.00 . A A . 29 PHE N 1 1 5 2554 1 1 30 PHE O O 11.373 12.628 -12.530 1.00 . A A . 29 PHE O 1 1 5 2555 1 1 31 ASP C C 8.374 14.056 -14.610 1.00 . A A . 30 ASP C 1 1 5 2556 1 1 31 ASP CA C 9.634 13.230 -14.583 1.00 . A A . 30 ASP CA 1 1 5 2557 1 1 31 ASP CB C 9.845 12.614 -15.977 1.00 . A A . 30 ASP CB 1 1 5 2558 1 1 31 ASP CG C 9.806 13.648 -17.065 1.00 . A A . 30 ASP CG 1 1 5 2559 1 1 31 ASP H H 8.607 11.616 -13.686 1.00 . A A . 30 ASP H 1 1 5 2560 1 1 31 ASP HA H 10.504 13.864 -14.359 1.00 . A A . 30 ASP HA 1 1 5 2561 1 1 31 ASP HB2 H 10.797 12.064 -16.021 1.00 . A A . 30 ASP HB2 1 1 5 2562 1 1 31 ASP HB3 H 9.010 11.924 -16.111 1.00 . A A . 30 ASP HB3 1 1 5 2563 1 1 31 ASP N N 9.449 12.160 -13.608 1.00 . A A . 30 ASP N 1 1 5 2564 1 1 31 ASP O O 7.299 13.489 -14.492 1.00 . A A . 30 ASP O 1 1 5 2565 1 1 31 ASP OD1 O 10.630 14.598 -17.008 1.00 . A A . 30 ASP OD1 1 1 5 2566 1 1 31 ASP OD2 O 8.958 13.507 -17.988 1.00 . A A . 30 ASP OD2 1 1 5 2567 1 1 32 NH2 HN1 H 9.343 15.848 -14.859 1.00 . A A . 31 NH2 HN1 1 1 5 2568 1 1 32 NH2 HN2 H 7.618 15.929 -14.751 1.00 . A A . 31 NH2 HN2 1 1 5 2569 1 1 32 NH2 N N 8.459 15.392 -14.750 1.00 . A A . 31 NH2 N 1 1 5 2570 2 2 1 ZN ZN ZN 1.316 10.072 -15.640 1.00 . B A . 32 ZN ZN 1 1 6 2571 1 1 1 ACE C C -0.224 -4.271 -1.610 1.00 . A A . 0 ACE C 1 1 6 2572 1 1 1 ACE CH3 C -1.028 -4.886 -0.499 1.00 . A A . 0 ACE CH3 1 1 6 2573 1 1 1 ACE H1 H -2.093 -4.655 -0.650 1.00 . A A . 0 ACE H1 1 1 6 2574 1 1 1 ACE H2 H -0.699 -4.476 0.467 1.00 . A A . 0 ACE H2 1 1 6 2575 1 1 1 ACE H3 H -0.895 -5.978 -0.493 1.00 . A A . 0 ACE H3 1 1 6 2576 1 1 1 ACE O O 0.432 -4.990 -2.346 1.00 . A A . 0 ACE O 1 1 6 2577 1 1 2 LYS C C 1.803 -1.893 -2.373 1.00 . A A . 1 LYS C 1 1 6 2578 1 1 2 LYS CA C 0.424 -2.276 -2.844 1.00 . A A . 1 LYS CA 1 1 6 2579 1 1 2 LYS CB C -0.461 -1.083 -3.299 1.00 . A A . 1 LYS CB 1 1 6 2580 1 1 2 LYS CD C -1.512 0.064 -5.328 1.00 . A A . 1 LYS CD 1 1 6 2581 1 1 2 LYS CE C -2.738 -0.842 -5.652 1.00 . A A . 1 LYS CE 1 1 6 2582 1 1 2 LYS CG C -0.312 -0.758 -4.806 1.00 . A A . 1 LYS CG 1 1 6 2583 1 1 2 LYS H H -0.754 -2.365 -1.071 1.00 . A A . 1 LYS H 1 1 6 2584 1 1 2 LYS HA H 0.533 -2.974 -3.687 1.00 . A A . 1 LYS HA 1 1 6 2585 1 1 2 LYS HB2 H -1.510 -1.349 -3.116 1.00 . A A . 1 LYS HB2 1 1 6 2586 1 1 2 LYS HB3 H -0.238 -0.184 -2.700 1.00 . A A . 1 LYS HB3 1 1 6 2587 1 1 2 LYS HD2 H -1.783 0.800 -4.556 1.00 . A A . 1 LYS HD2 1 1 6 2588 1 1 2 LYS HD3 H -1.197 0.623 -6.222 1.00 . A A . 1 LYS HD3 1 1 6 2589 1 1 2 LYS HE2 H -2.679 -1.807 -5.123 1.00 . A A . 1 LYS HE2 1 1 6 2590 1 1 2 LYS HE3 H -3.643 -0.326 -5.293 1.00 . A A . 1 LYS HE3 1 1 6 2591 1 1 2 LYS HG2 H 0.600 -0.161 -4.894 1.00 . A A . 1 LYS HG2 1 1 6 2592 1 1 2 LYS HG3 H -0.224 -1.656 -5.438 1.00 . A A . 1 LYS HG3 1 1 6 2593 1 1 2 LYS HZ1 H -2.700 -0.275 -7.733 1.00 . A A . 1 LYS HZ1 1 1 6 2594 1 1 2 LYS HZ2 H -3.925 -1.410 -7.301 1.00 . A A . 1 LYS HZ2 1 1 6 2595 1 1 2 LYS HZ3 H -2.262 -1.932 -7.416 1.00 . A A . 1 LYS HZ3 1 1 6 2596 1 1 2 LYS N N -0.266 -2.930 -1.738 1.00 . A A . 1 LYS N 1 1 6 2597 1 1 2 LYS NZ N -2.903 -1.123 -7.096 1.00 . A A . 1 LYS NZ 1 1 6 2598 1 1 2 LYS O O 2.179 -0.734 -2.438 1.00 . A A . 1 LYS O 1 1 6 2599 1 1 3 PHE C C 4.923 -2.663 -2.489 1.00 . A A . 2 PHE C 1 1 6 2600 1 1 3 PHE CA C 3.914 -2.582 -1.365 1.00 . A A . 2 PHE CA 1 1 6 2601 1 1 3 PHE CB C 4.231 -3.553 -0.189 1.00 . A A . 2 PHE CB 1 1 6 2602 1 1 3 PHE CD1 C 6.432 -2.748 0.831 1.00 . A A . 2 PHE CD1 1 1 6 2603 1 1 3 PHE CD2 C 4.391 -2.369 2.056 1.00 . A A . 2 PHE CD2 1 1 6 2604 1 1 3 PHE CE1 C 7.158 -2.114 1.842 1.00 . A A . 2 PHE CE1 1 1 6 2605 1 1 3 PHE CE2 C 5.118 -1.763 3.083 1.00 . A A . 2 PHE CE2 1 1 6 2606 1 1 3 PHE CG C 5.043 -2.871 0.924 1.00 . A A . 2 PHE CG 1 1 6 2607 1 1 3 PHE CZ C 6.503 -1.629 2.976 1.00 . A A . 2 PHE CZ 1 1 6 2608 1 1 3 PHE H H 2.293 -3.839 -1.934 1.00 . A A . 2 PHE H 1 1 6 2609 1 1 3 PHE HA H 3.935 -1.563 -0.948 1.00 . A A . 2 PHE HA 1 1 6 2610 1 1 3 PHE HB2 H 3.284 -3.883 0.264 1.00 . A A . 2 PHE HB2 1 1 6 2611 1 1 3 PHE HB3 H 4.746 -4.458 -0.545 1.00 . A A . 2 PHE HB3 1 1 6 2612 1 1 3 PHE HD1 H 6.966 -3.147 -0.023 1.00 . A A . 2 PHE HD1 1 1 6 2613 1 1 3 PHE HD2 H 3.314 -2.444 2.153 1.00 . A A . 2 PHE HD2 1 1 6 2614 1 1 3 PHE HE1 H 8.232 -2.000 1.747 1.00 . A A . 2 PHE HE1 1 1 6 2615 1 1 3 PHE HE2 H 4.605 -1.395 3.966 1.00 . A A . 2 PHE HE2 1 1 6 2616 1 1 3 PHE HZ H 7.068 -1.151 3.768 1.00 . A A . 2 PHE HZ 1 1 6 2617 1 1 3 PHE N N 2.587 -2.883 -1.893 1.00 . A A . 2 PHE N 1 1 6 2618 1 1 3 PHE O O 6.036 -3.097 -2.246 1.00 . A A . 2 PHE O 1 1 6 2619 1 1 4 GLU C C 4.998 -1.647 -6.037 1.00 . A A . 3 GLU C 1 1 6 2620 1 1 4 GLU CA C 5.516 -2.422 -4.838 1.00 . A A . 3 GLU CA 1 1 6 2621 1 1 4 GLU CB C 5.708 -3.938 -5.144 1.00 . A A . 3 GLU CB 1 1 6 2622 1 1 4 GLU CD C 7.746 -5.343 -5.925 1.00 . A A . 3 GLU CD 1 1 6 2623 1 1 4 GLU CG C 6.827 -4.184 -6.190 1.00 . A A . 3 GLU CG 1 1 6 2624 1 1 4 GLU H H 3.680 -1.886 -3.962 1.00 . A A . 3 GLU H 1 1 6 2625 1 1 4 GLU HA H 6.474 -1.976 -4.531 1.00 . A A . 3 GLU HA 1 1 6 2626 1 1 4 GLU HB2 H 5.991 -4.473 -4.228 1.00 . A A . 3 GLU HB2 1 1 6 2627 1 1 4 GLU HB3 H 4.755 -4.365 -5.493 1.00 . A A . 3 GLU HB3 1 1 6 2628 1 1 4 GLU HG2 H 6.371 -4.308 -7.185 1.00 . A A . 3 GLU HG2 1 1 6 2629 1 1 4 GLU HG3 H 7.514 -3.329 -6.184 1.00 . A A . 3 GLU HG3 1 1 6 2630 1 1 4 GLU N N 4.577 -2.265 -3.736 1.00 . A A . 3 GLU N 1 1 6 2631 1 1 4 GLU O O 4.803 -2.215 -7.099 1.00 . A A . 3 GLU O 1 1 6 2632 1 1 4 GLU OE1 O 8.272 -5.442 -4.785 1.00 . A A . 3 GLU OE1 1 1 6 2633 1 1 4 GLU OE2 O 7.981 -6.142 -6.874 1.00 . A A . 3 GLU OE2 1 1 6 2634 1 1 5 ASP C C 4.556 1.898 -6.797 1.00 . A A . 4 ASP C 1 1 6 2635 1 1 5 ASP CA C 4.161 0.450 -6.974 1.00 . A A . 4 ASP CA 1 1 6 2636 1 1 5 ASP CB C 2.623 0.326 -6.932 1.00 . A A . 4 ASP CB 1 1 6 2637 1 1 5 ASP CG C 2.165 -1.109 -6.953 1.00 . A A . 4 ASP CG 1 1 6 2638 1 1 5 ASP H H 4.916 0.142 -5.012 1.00 . A A . 4 ASP H 1 1 6 2639 1 1 5 ASP HA H 4.513 0.111 -7.957 1.00 . A A . 4 ASP HA 1 1 6 2640 1 1 5 ASP HB2 H 2.294 0.836 -6.018 1.00 . A A . 4 ASP HB2 1 1 6 2641 1 1 5 ASP HB3 H 2.164 0.836 -7.789 1.00 . A A . 4 ASP HB3 1 1 6 2642 1 1 5 ASP N N 4.754 -0.326 -5.884 1.00 . A A . 4 ASP N 1 1 6 2643 1 1 5 ASP O O 5.232 2.192 -5.823 1.00 . A A . 4 ASP O 1 1 6 2644 1 1 5 ASP OD1 O 2.285 -1.798 -5.899 1.00 . A A . 4 ASP OD1 1 1 6 2645 1 1 5 ASP OD2 O 1.660 -1.557 -8.019 1.00 . A A . 4 ASP OD2 1 1 6 2646 1 1 6 TRP C C 3.387 5.068 -8.156 1.00 . A A . 5 TRP C 1 1 6 2647 1 1 6 TRP CA C 4.474 4.225 -7.539 1.00 . A A . 5 TRP CA 1 1 6 2648 1 1 6 TRP CB C 5.830 4.529 -8.213 1.00 . A A . 5 TRP CB 1 1 6 2649 1 1 6 TRP CD1 C 6.218 2.870 -10.090 1.00 . A A . 5 TRP CD1 1 1 6 2650 1 1 6 TRP CD2 C 5.365 4.833 -10.850 1.00 . A A . 5 TRP CD2 1 1 6 2651 1 1 6 TRP CE2 C 5.607 3.959 -11.891 1.00 . A A . 5 TRP CE2 1 1 6 2652 1 1 6 TRP CE3 C 4.836 6.105 -11.044 1.00 . A A . 5 TRP CE3 1 1 6 2653 1 1 6 TRP CG C 5.816 4.064 -9.642 1.00 . A A . 5 TRP CG 1 1 6 2654 1 1 6 TRP CH2 C 4.907 5.630 -13.426 1.00 . A A . 5 TRP CH2 1 1 6 2655 1 1 6 TRP CZ2 C 5.366 4.325 -13.212 1.00 . A A . 5 TRP CZ2 1 1 6 2656 1 1 6 TRP CZ3 C 4.589 6.483 -12.363 1.00 . A A . 5 TRP CZ3 1 1 6 2657 1 1 6 TRP H H 3.660 2.542 -8.539 1.00 . A A . 5 TRP H 1 1 6 2658 1 1 6 TRP HA H 4.526 4.488 -6.471 1.00 . A A . 5 TRP HA 1 1 6 2659 1 1 6 TRP HB2 H 6.069 5.601 -8.181 1.00 . A A . 5 TRP HB2 1 1 6 2660 1 1 6 TRP HB3 H 6.612 3.981 -7.668 1.00 . A A . 5 TRP HB3 1 1 6 2661 1 1 6 TRP HD1 H 6.580 2.130 -9.392 1.00 . A A . 5 TRP HD1 1 1 6 2662 1 1 6 TRP HE1 H 6.326 1.973 -11.960 1.00 . A A . 5 TRP HE1 1 1 6 2663 1 1 6 TRP HE3 H 4.651 6.752 -10.207 1.00 . A A . 5 TRP HE3 1 1 6 2664 1 1 6 TRP HH2 H 4.812 6.004 -14.430 1.00 . A A . 5 TRP HH2 1 1 6 2665 1 1 6 TRP HZ2 H 5.527 3.649 -14.040 1.00 . A A . 5 TRP HZ2 1 1 6 2666 1 1 6 TRP HZ3 H 4.165 7.452 -12.581 1.00 . A A . 5 TRP HZ3 1 1 6 2667 1 1 6 TRP N N 4.157 2.811 -7.709 1.00 . A A . 5 TRP N 1 1 6 2668 1 1 6 TRP NE1 N 6.090 2.802 -11.391 1.00 . A A . 5 TRP NE1 1 1 6 2669 1 1 6 TRP O O 2.570 4.496 -8.860 1.00 . A A . 5 TRP O 1 1 6 2670 1 1 7 LEU C C 2.880 8.331 -9.292 1.00 . A A . 6 LEU C 1 1 6 2671 1 1 7 LEU CA C 2.317 7.265 -8.393 1.00 . A A . 6 LEU CA 1 1 6 2672 1 1 7 LEU CB C 1.482 7.851 -7.227 1.00 . A A . 6 LEU CB 1 1 6 2673 1 1 7 LEU CD1 C 1.550 10.442 -7.346 1.00 . A A . 6 LEU CD1 1 1 6 2674 1 1 7 LEU CD2 C 1.977 9.258 -5.123 1.00 . A A . 6 LEU CD2 1 1 6 2675 1 1 7 LEU CG C 2.113 9.161 -6.661 1.00 . A A . 6 LEU CG 1 1 6 2676 1 1 7 LEU H H 4.079 6.826 -7.318 1.00 . A A . 6 LEU H 1 1 6 2677 1 1 7 LEU HA H 1.650 6.673 -9.017 1.00 . A A . 6 LEU HA 1 1 6 2678 1 1 7 LEU HB2 H 0.445 8.022 -7.555 1.00 . A A . 6 LEU HB2 1 1 6 2679 1 1 7 LEU HB3 H 1.445 7.064 -6.459 1.00 . A A . 6 LEU HB3 1 1 6 2680 1 1 7 LEU HD11 H 2.368 11.032 -7.782 1.00 . A A . 6 LEU HD11 1 1 6 2681 1 1 7 LEU HD12 H 1.017 11.082 -6.627 1.00 . A A . 6 LEU HD12 1 1 6 2682 1 1 7 LEU HD13 H 0.842 10.189 -8.147 1.00 . A A . 6 LEU HD13 1 1 6 2683 1 1 7 LEU HD21 H 2.350 8.336 -4.651 1.00 . A A . 6 LEU HD21 1 1 6 2684 1 1 7 LEU HD22 H 0.929 9.415 -4.829 1.00 . A A . 6 LEU HD22 1 1 6 2685 1 1 7 LEU HD23 H 2.588 10.098 -4.760 1.00 . A A . 6 LEU HD23 1 1 6 2686 1 1 7 LEU HG H 3.202 9.129 -6.807 1.00 . A A . 6 LEU HG 1 1 6 2687 1 1 7 LEU N N 3.376 6.398 -7.885 1.00 . A A . 6 LEU N 1 1 6 2688 1 1 7 LEU O O 3.989 8.787 -9.064 1.00 . A A . 6 LEU O 1 1 6 2689 1 1 8 CYS C C 2.563 11.084 -10.800 1.00 . A A . 7 CYS C 1 1 6 2690 1 1 8 CYS CA C 2.709 9.665 -11.283 1.00 . A A . 7 CYS CA 1 1 6 2691 1 1 8 CYS CB C 1.968 9.488 -12.620 1.00 . A A . 7 CYS CB 1 1 6 2692 1 1 8 CYS H H 1.215 8.366 -10.513 1.00 . A A . 7 CYS H 1 1 6 2693 1 1 8 CYS HA H 3.774 9.439 -11.443 1.00 . A A . 7 CYS HA 1 1 6 2694 1 1 8 CYS HB2 H 2.031 8.454 -12.987 1.00 . A A . 7 CYS HB2 1 1 6 2695 1 1 8 CYS HB3 H 0.919 9.778 -12.519 1.00 . A A . 7 CYS HB3 1 1 6 2696 1 1 8 CYS N N 2.139 8.721 -10.343 1.00 . A A . 7 CYS N 1 1 6 2697 1 1 8 CYS O O 1.544 11.397 -10.208 1.00 . A A . 7 CYS O 1 1 6 2698 1 1 8 CYS SG S 2.725 10.615 -13.794 1.00 . A A . 7 CYS SG 1 1 6 2699 1 1 9 ASN C C 2.826 14.256 -11.614 1.00 . A A . 8 ASN C 1 1 6 2700 1 1 9 ASN CA C 3.485 13.350 -10.591 1.00 . A A . 8 ASN CA 1 1 6 2701 1 1 9 ASN CB C 4.917 13.837 -10.219 1.00 . A A . 8 ASN CB 1 1 6 2702 1 1 9 ASN CG C 4.999 14.269 -8.775 1.00 . A A . 8 ASN CG 1 1 6 2703 1 1 9 ASN H H 4.306 11.705 -11.676 1.00 . A A . 8 ASN H 1 1 6 2704 1 1 9 ASN HA H 2.863 13.391 -9.684 1.00 . A A . 8 ASN HA 1 1 6 2705 1 1 9 ASN HB2 H 5.648 13.036 -10.399 1.00 . A A . 8 ASN HB2 1 1 6 2706 1 1 9 ASN HB3 H 5.234 14.686 -10.840 1.00 . A A . 8 ASN HB3 1 1 6 2707 1 1 9 ASN HD21 H 6.464 12.913 -8.244 1.00 . A A . 8 ASN HD21 1 1 6 2708 1 1 9 ASN HD22 H 5.909 13.958 -6.990 1.00 . A A . 8 ASN HD22 1 1 6 2709 1 1 9 ASN N N 3.549 11.969 -11.076 1.00 . A A . 8 ASN N 1 1 6 2710 1 1 9 ASN ND2 N 5.865 13.655 -7.942 1.00 . A A . 8 ASN ND2 1 1 6 2711 1 1 9 ASN O O 3.110 15.443 -11.644 1.00 . A A . 8 ASN O 1 1 6 2712 1 1 9 ASN OD1 O 4.278 15.174 -8.386 1.00 . A A . 8 ASN OD1 1 1 6 2713 1 1 10 LYS C C -0.181 14.188 -13.529 1.00 . A A . 9 LYS C 1 1 6 2714 1 1 10 LYS CA C 1.299 14.487 -13.523 1.00 . A A . 9 LYS CA 1 1 6 2715 1 1 10 LYS CB C 1.930 14.145 -14.906 1.00 . A A . 9 LYS CB 1 1 6 2716 1 1 10 LYS CD C 3.414 16.160 -15.270 1.00 . A A . 9 LYS CD 1 1 6 2717 1 1 10 LYS CE C 3.353 17.704 -15.407 1.00 . A A . 9 LYS CE 1 1 6 2718 1 1 10 LYS CG C 2.134 15.425 -15.754 1.00 . A A . 9 LYS CG 1 1 6 2719 1 1 10 LYS H H 1.712 12.747 -12.406 1.00 . A A . 9 LYS H 1 1 6 2720 1 1 10 LYS HA H 1.390 15.562 -13.304 1.00 . A A . 9 LYS HA 1 1 6 2721 1 1 10 LYS HB2 H 2.898 13.638 -14.768 1.00 . A A . 9 LYS HB2 1 1 6 2722 1 1 10 LYS HB3 H 1.280 13.466 -15.478 1.00 . A A . 9 LYS HB3 1 1 6 2723 1 1 10 LYS HD2 H 3.586 15.920 -14.212 1.00 . A A . 9 LYS HD2 1 1 6 2724 1 1 10 LYS HD3 H 4.281 15.777 -15.834 1.00 . A A . 9 LYS HD3 1 1 6 2725 1 1 10 LYS HE2 H 3.804 18.000 -16.368 1.00 . A A . 9 LYS HE2 1 1 6 2726 1 1 10 LYS HE3 H 2.315 18.072 -15.391 1.00 . A A . 9 LYS HE3 1 1 6 2727 1 1 10 LYS HG2 H 2.249 15.163 -16.818 1.00 . A A . 9 LYS HG2 1 1 6 2728 1 1 10 LYS HG3 H 1.222 16.034 -15.655 1.00 . A A . 9 LYS HG3 1 1 6 2729 1 1 10 LYS HZ1 H 4.993 17.850 -14.034 1.00 . A A . 9 LYS HZ1 1 1 6 2730 1 1 10 LYS HZ2 H 3.446 18.339 -13.392 1.00 . A A . 9 LYS HZ2 1 1 6 2731 1 1 10 LYS HZ3 H 4.302 19.375 -14.510 1.00 . A A . 9 LYS HZ3 1 1 6 2732 1 1 10 LYS N N 1.932 13.709 -12.465 1.00 . A A . 9 LYS N 1 1 6 2733 1 1 10 LYS NZ N 4.064 18.347 -14.281 1.00 . A A . 9 LYS NZ 1 1 6 2734 1 1 10 LYS O O -0.974 15.097 -13.346 1.00 . A A . 9 LYS O 1 1 6 2735 1 1 11 CYS C C -2.349 11.858 -12.396 1.00 . A A . 10 CYS C 1 1 6 2736 1 1 11 CYS CA C -1.967 12.533 -13.698 1.00 . A A . 10 CYS CA 1 1 6 2737 1 1 11 CYS CB C -2.212 11.599 -14.897 1.00 . A A . 10 CYS CB 1 1 6 2738 1 1 11 CYS H H 0.111 12.194 -13.893 1.00 . A A . 10 CYS H 1 1 6 2739 1 1 11 CYS HA H -2.624 13.402 -13.848 1.00 . A A . 10 CYS HA 1 1 6 2740 1 1 11 CYS HB2 H -3.281 11.368 -14.963 1.00 . A A . 10 CYS HB2 1 1 6 2741 1 1 11 CYS HB3 H -1.901 12.087 -15.831 1.00 . A A . 10 CYS HB3 1 1 6 2742 1 1 11 CYS N N -0.560 12.910 -13.731 1.00 . A A . 10 CYS N 1 1 6 2743 1 1 11 CYS O O -3.497 11.465 -12.257 1.00 . A A . 10 CYS O 1 1 6 2744 1 1 11 CYS SG S -1.209 10.107 -14.666 1.00 . A A . 10 CYS SG 1 1 6 2745 1 1 12 CYS C C -2.206 9.709 -10.190 1.00 . A A . 11 CYS C 1 1 6 2746 1 1 12 CYS CA C -1.798 11.163 -10.121 1.00 . A A . 11 CYS CA 1 1 6 2747 1 1 12 CYS CB C -2.883 12.061 -9.468 1.00 . A A . 11 CYS CB 1 1 6 2748 1 1 12 CYS H H -0.470 11.991 -11.524 1.00 . A A . 11 CYS H 1 1 6 2749 1 1 12 CYS HA H -0.912 11.202 -9.472 1.00 . A A . 11 CYS HA 1 1 6 2750 1 1 12 CYS HB2 H -2.961 13.013 -10.017 1.00 . A A . 11 CYS HB2 1 1 6 2751 1 1 12 CYS HB3 H -3.867 11.569 -9.480 1.00 . A A . 11 CYS HB3 1 1 6 2752 1 1 12 CYS HG H -3.207 13.068 -7.543 1.00 . A A . 11 CYS HG 1 1 6 2753 1 1 12 CYS N N -1.423 11.712 -11.420 1.00 . A A . 11 CYS N 1 1 6 2754 1 1 12 CYS O O -2.854 9.230 -9.273 1.00 . A A . 11 CYS O 1 1 6 2755 1 1 12 CYS SG S -2.419 12.475 -7.753 1.00 . A A . 11 CYS SG 1 1 6 2756 1 1 13 LEU C C -1.211 6.668 -10.873 1.00 . A A . 12 LEU C 1 1 6 2757 1 1 13 LEU CA C -2.263 7.598 -11.421 1.00 . A A . 12 LEU CA 1 1 6 2758 1 1 13 LEU CB C -2.429 7.292 -12.928 1.00 . A A . 12 LEU CB 1 1 6 2759 1 1 13 LEU CD1 C -4.728 6.172 -13.275 1.00 . A A . 12 LEU CD1 1 1 6 2760 1 1 13 LEU CD2 C -2.646 5.236 -14.496 1.00 . A A . 12 LEU CD2 1 1 6 2761 1 1 13 LEU CG C -3.187 5.965 -13.232 1.00 . A A . 12 LEU CG 1 1 6 2762 1 1 13 LEU H H -1.264 9.371 -11.979 1.00 . A A . 12 LEU H 1 1 6 2763 1 1 13 LEU HA H -3.237 7.459 -10.928 1.00 . A A . 12 LEU HA 1 1 6 2764 1 1 13 LEU HB2 H -3.002 8.125 -13.336 1.00 . A A . 12 LEU HB2 1 1 6 2765 1 1 13 LEU HB3 H -1.422 7.316 -13.371 1.00 . A A . 12 LEU HB3 1 1 6 2766 1 1 13 LEU HD11 H -5.239 5.236 -13.002 1.00 . A A . 12 LEU HD11 1 1 6 2767 1 1 13 LEU HD12 H -5.063 6.458 -14.279 1.00 . A A . 12 LEU HD12 1 1 6 2768 1 1 13 LEU HD13 H -5.048 6.955 -12.571 1.00 . A A . 12 LEU HD13 1 1 6 2769 1 1 13 LEU HD21 H -1.895 5.836 -15.025 1.00 . A A . 12 LEU HD21 1 1 6 2770 1 1 13 LEU HD22 H -3.454 4.985 -15.199 1.00 . A A . 12 LEU HD22 1 1 6 2771 1 1 13 LEU HD23 H -2.152 4.295 -14.208 1.00 . A A . 12 LEU HD23 1 1 6 2772 1 1 13 LEU HG H -3.004 5.267 -12.408 1.00 . A A . 12 LEU HG 1 1 6 2773 1 1 13 LEU N N -1.836 8.983 -11.265 1.00 . A A . 12 LEU N 1 1 6 2774 1 1 13 LEU O O -0.033 6.970 -11.005 1.00 . A A . 12 LEU O 1 1 6 2775 1 1 14 ASN C C -0.072 3.741 -10.860 1.00 . A A . 13 ASN C 1 1 6 2776 1 1 14 ASN CA C -0.677 4.569 -9.754 1.00 . A A . 13 ASN CA 1 1 6 2777 1 1 14 ASN CB C -1.298 3.623 -8.694 1.00 . A A . 13 ASN CB 1 1 6 2778 1 1 14 ASN CG C -0.433 3.611 -7.462 1.00 . A A . 13 ASN CG 1 1 6 2779 1 1 14 ASN H H -2.607 5.337 -10.175 1.00 . A A . 13 ASN H 1 1 6 2780 1 1 14 ASN HA H 0.118 5.125 -9.258 1.00 . A A . 13 ASN HA 1 1 6 2781 1 1 14 ASN HB2 H -2.306 3.948 -8.399 1.00 . A A . 13 ASN HB2 1 1 6 2782 1 1 14 ASN HB3 H -1.388 2.604 -9.100 1.00 . A A . 13 ASN HB3 1 1 6 2783 1 1 14 ASN HD21 H -1.416 5.181 -6.562 1.00 . A A . 13 ASN HD21 1 1 6 2784 1 1 14 ASN HD22 H -0.109 4.494 -5.665 1.00 . A A . 13 ASN HD22 1 1 6 2785 1 1 14 ASN N N -1.634 5.538 -10.267 1.00 . A A . 13 ASN N 1 1 6 2786 1 1 14 ASN ND2 N -0.680 4.507 -6.485 1.00 . A A . 13 ASN ND2 1 1 6 2787 1 1 14 ASN O O -0.627 3.715 -11.946 1.00 . A A . 13 ASN O 1 1 6 2788 1 1 14 ASN OD1 O 0.474 2.799 -7.383 1.00 . A A . 13 ASN OD1 1 1 6 2789 1 1 15 ASN C C 2.586 1.164 -10.985 1.00 . A A . 14 ASN C 1 1 6 2790 1 1 15 ASN CA C 1.648 2.182 -11.597 1.00 . A A . 14 ASN CA 1 1 6 2791 1 1 15 ASN CB C 2.487 3.021 -12.583 1.00 . A A . 14 ASN CB 1 1 6 2792 1 1 15 ASN CG C 1.606 3.612 -13.650 1.00 . A A . 14 ASN CG 1 1 6 2793 1 1 15 ASN H H 1.517 3.124 -9.698 1.00 . A A . 14 ASN H 1 1 6 2794 1 1 15 ASN HA H 0.839 1.660 -12.131 1.00 . A A . 14 ASN HA 1 1 6 2795 1 1 15 ASN HB2 H 2.987 3.793 -11.987 1.00 . A A . 14 ASN HB2 1 1 6 2796 1 1 15 ASN HB3 H 3.258 2.405 -13.066 1.00 . A A . 14 ASN HB3 1 1 6 2797 1 1 15 ASN HD21 H 1.934 5.575 -13.098 1.00 . A A . 14 ASN HD21 1 1 6 2798 1 1 15 ASN HD22 H 0.797 5.300 -14.366 1.00 . A A . 14 ASN HD22 1 1 6 2799 1 1 15 ASN N N 1.052 3.043 -10.585 1.00 . A A . 14 ASN N 1 1 6 2800 1 1 15 ASN ND2 N 1.451 4.945 -13.705 1.00 . A A . 14 ASN ND2 1 1 6 2801 1 1 15 ASN O O 3.248 1.474 -10.008 1.00 . A A . 14 ASN O 1 1 6 2802 1 1 15 ASN OD1 O 1.041 2.873 -14.441 1.00 . A A . 14 ASN OD1 1 1 6 2803 1 1 16 PHE C C 4.940 -0.666 -10.909 1.00 . A A . 15 PHE C 1 1 6 2804 1 1 16 PHE CA C 3.501 -1.110 -11.073 1.00 . A A . 15 PHE CA 1 1 6 2805 1 1 16 PHE CB C 3.478 -2.378 -11.985 1.00 . A A . 15 PHE CB 1 1 6 2806 1 1 16 PHE CD1 C 3.689 -4.415 -10.484 1.00 . A A . 15 PHE CD1 1 1 6 2807 1 1 16 PHE CD2 C 1.507 -3.864 -11.347 1.00 . A A . 15 PHE CD2 1 1 6 2808 1 1 16 PHE CE1 C 3.159 -5.533 -9.838 1.00 . A A . 15 PHE CE1 1 1 6 2809 1 1 16 PHE CE2 C 0.973 -4.985 -10.706 1.00 . A A . 15 PHE CE2 1 1 6 2810 1 1 16 PHE CG C 2.873 -3.581 -11.252 1.00 . A A . 15 PHE CG 1 1 6 2811 1 1 16 PHE CZ C 1.798 -5.822 -9.953 1.00 . A A . 15 PHE CZ 1 1 6 2812 1 1 16 PHE H H 2.026 -0.271 -12.322 1.00 . A A . 15 PHE H 1 1 6 2813 1 1 16 PHE HA H 3.086 -1.386 -10.093 1.00 . A A . 15 PHE HA 1 1 6 2814 1 1 16 PHE HB2 H 2.911 -2.232 -12.918 1.00 . A A . 15 PHE HB2 1 1 6 2815 1 1 16 PHE HB3 H 4.498 -2.639 -12.301 1.00 . A A . 15 PHE HB3 1 1 6 2816 1 1 16 PHE HD1 H 4.745 -4.208 -10.377 1.00 . A A . 15 PHE HD1 1 1 6 2817 1 1 16 PHE HD2 H 0.849 -3.216 -11.917 1.00 . A A . 15 PHE HD2 1 1 6 2818 1 1 16 PHE HE1 H 3.804 -6.173 -9.247 1.00 . A A . 15 PHE HE1 1 1 6 2819 1 1 16 PHE HE2 H -0.085 -5.208 -10.791 1.00 . A A . 15 PHE HE2 1 1 6 2820 1 1 16 PHE HZ H 1.386 -6.694 -9.457 1.00 . A A . 15 PHE HZ 1 1 6 2821 1 1 16 PHE N N 2.640 -0.050 -11.577 1.00 . A A . 15 PHE N 1 1 6 2822 1 1 16 PHE O O 5.422 0.149 -11.679 1.00 . A A . 15 PHE O 1 1 6 2823 1 1 17 ARG C C 7.916 -1.498 -10.882 1.00 . A A . 16 ARG C 1 1 6 2824 1 1 17 ARG CA C 7.086 -0.946 -9.760 1.00 . A A . 16 ARG CA 1 1 6 2825 1 1 17 ARG CB C 7.673 -1.488 -8.435 1.00 . A A . 16 ARG CB 1 1 6 2826 1 1 17 ARG CD C 8.906 0.600 -7.626 1.00 . A A . 16 ARG CD 1 1 6 2827 1 1 17 ARG CG C 7.751 -0.392 -7.345 1.00 . A A . 16 ARG CG 1 1 6 2828 1 1 17 ARG CZ C 9.868 0.943 -5.402 1.00 . A A . 16 ARG CZ 1 1 6 2829 1 1 17 ARG H H 5.202 -1.879 -9.294 1.00 . A A . 16 ARG H 1 1 6 2830 1 1 17 ARG HA H 7.257 0.126 -9.821 1.00 . A A . 16 ARG HA 1 1 6 2831 1 1 17 ARG HB2 H 7.029 -2.304 -8.121 1.00 . A A . 16 ARG HB2 1 1 6 2832 1 1 17 ARG HB3 H 8.674 -1.922 -8.573 1.00 . A A . 16 ARG HB3 1 1 6 2833 1 1 17 ARG HD2 H 9.369 0.374 -8.599 1.00 . A A . 16 ARG HD2 1 1 6 2834 1 1 17 ARG HD3 H 8.552 1.639 -7.702 1.00 . A A . 16 ARG HD3 1 1 6 2835 1 1 17 ARG HE H 10.771 -0.107 -6.887 1.00 . A A . 16 ARG HE 1 1 6 2836 1 1 17 ARG HG2 H 6.810 0.166 -7.302 1.00 . A A . 16 ARG HG2 1 1 6 2837 1 1 17 ARG HG3 H 7.913 -0.867 -6.365 1.00 . A A . 16 ARG HG3 1 1 6 2838 1 1 17 ARG HH11 H 7.996 1.766 -5.533 1.00 . A A . 16 ARG HH11 1 1 6 2839 1 1 17 ARG HH12 H 8.831 2.015 -4.011 1.00 . A A . 16 ARG HH12 1 1 6 2840 1 1 17 ARG HH21 H 11.712 0.226 -4.886 1.00 . A A . 16 ARG HH21 1 1 6 2841 1 1 17 ARG HH22 H 10.876 1.143 -3.636 1.00 . A A . 16 ARG HH22 1 1 6 2842 1 1 17 ARG N N 5.655 -1.233 -9.913 1.00 . A A . 16 ARG N 1 1 6 2843 1 1 17 ARG NE N 9.938 0.434 -6.609 1.00 . A A . 16 ARG NE 1 1 6 2844 1 1 17 ARG NH1 N 8.838 1.622 -4.961 1.00 . A A . 16 ARG NH1 1 1 6 2845 1 1 17 ARG NH2 N 10.882 0.762 -4.593 1.00 . A A . 16 ARG NH2 1 1 6 2846 1 1 17 ARG O O 8.936 -0.917 -11.214 1.00 . A A . 16 ARG O 1 1 6 2847 1 1 18 LYS C C 8.181 -2.160 -13.780 1.00 . A A . 17 LYS C 1 1 6 2848 1 1 18 LYS CA C 8.202 -3.140 -12.635 1.00 . A A . 17 LYS CA 1 1 6 2849 1 1 18 LYS CB C 7.617 -4.505 -13.113 1.00 . A A . 17 LYS CB 1 1 6 2850 1 1 18 LYS CD C 8.571 -5.825 -11.144 1.00 . A A . 17 LYS CD 1 1 6 2851 1 1 18 LYS CE C 9.944 -6.287 -10.589 1.00 . A A . 17 LYS CE 1 1 6 2852 1 1 18 LYS CG C 8.536 -5.679 -12.691 1.00 . A A . 17 LYS CG 1 1 6 2853 1 1 18 LYS H H 6.658 -3.066 -11.154 1.00 . A A . 17 LYS H 1 1 6 2854 1 1 18 LYS HA H 9.262 -3.249 -12.358 1.00 . A A . 17 LYS HA 1 1 6 2855 1 1 18 LYS HB2 H 6.599 -4.685 -12.733 1.00 . A A . 17 LYS HB2 1 1 6 2856 1 1 18 LYS HB3 H 7.552 -4.507 -14.212 1.00 . A A . 17 LYS HB3 1 1 6 2857 1 1 18 LYS HD2 H 8.379 -4.853 -10.670 1.00 . A A . 17 LYS HD2 1 1 6 2858 1 1 18 LYS HD3 H 7.763 -6.498 -10.821 1.00 . A A . 17 LYS HD3 1 1 6 2859 1 1 18 LYS HE2 H 10.760 -5.725 -11.074 1.00 . A A . 17 LYS HE2 1 1 6 2860 1 1 18 LYS HE3 H 9.960 -6.025 -9.518 1.00 . A A . 17 LYS HE3 1 1 6 2861 1 1 18 LYS HG2 H 8.164 -6.615 -13.138 1.00 . A A . 17 LYS HG2 1 1 6 2862 1 1 18 LYS HG3 H 9.535 -5.486 -13.109 1.00 . A A . 17 LYS HG3 1 1 6 2863 1 1 18 LYS HZ1 H 10.667 -7.992 -11.651 1.00 . A A . 17 LYS HZ1 1 1 6 2864 1 1 18 LYS HZ2 H 9.290 -8.326 -10.615 1.00 . A A . 17 LYS HZ2 1 1 6 2865 1 1 18 LYS HZ3 H 10.846 -8.062 -9.916 1.00 . A A . 17 LYS HZ3 1 1 6 2866 1 1 18 LYS N N 7.482 -2.618 -11.482 1.00 . A A . 17 LYS N 1 1 6 2867 1 1 18 LYS NZ N 10.192 -7.739 -10.715 1.00 . A A . 17 LYS NZ 1 1 6 2868 1 1 18 LYS O O 9.007 -2.291 -14.668 1.00 . A A . 17 LYS O 1 1 6 2869 1 1 19 ARG C C 8.225 0.808 -14.806 1.00 . A A . 18 ARG C 1 1 6 2870 1 1 19 ARG CA C 7.187 -0.279 -14.930 1.00 . A A . 18 ARG CA 1 1 6 2871 1 1 19 ARG CB C 5.804 0.424 -15.026 1.00 . A A . 18 ARG CB 1 1 6 2872 1 1 19 ARG CD C 4.089 1.207 -16.750 1.00 . A A . 18 ARG CD 1 1 6 2873 1 1 19 ARG CG C 4.992 0.036 -16.288 1.00 . A A . 18 ARG CG 1 1 6 2874 1 1 19 ARG CZ C 1.815 0.466 -16.281 1.00 . A A . 18 ARG CZ 1 1 6 2875 1 1 19 ARG H H 6.627 -1.038 -13.032 1.00 . A A . 18 ARG H 1 1 6 2876 1 1 19 ARG HA H 7.400 -0.851 -15.845 1.00 . A A . 18 ARG HA 1 1 6 2877 1 1 19 ARG HB2 H 5.168 0.210 -14.159 1.00 . A A . 18 ARG HB2 1 1 6 2878 1 1 19 ARG HB3 H 5.980 1.504 -15.010 1.00 . A A . 18 ARG HB3 1 1 6 2879 1 1 19 ARG HD2 H 3.976 2.017 -16.012 1.00 . A A . 18 ARG HD2 1 1 6 2880 1 1 19 ARG HD3 H 4.570 1.653 -17.635 1.00 . A A . 18 ARG HD3 1 1 6 2881 1 1 19 ARG HE H 2.589 0.637 -18.147 1.00 . A A . 18 ARG HE 1 1 6 2882 1 1 19 ARG HG2 H 5.639 -0.226 -17.141 1.00 . A A . 18 ARG HG2 1 1 6 2883 1 1 19 ARG HG3 H 4.380 -0.847 -16.050 1.00 . A A . 18 ARG HG3 1 1 6 2884 1 1 19 ARG HH11 H 2.905 0.671 -14.572 1.00 . A A . 18 ARG HH11 1 1 6 2885 1 1 19 ARG HH12 H 1.196 0.355 -14.354 1.00 . A A . 18 ARG HH12 1 1 6 2886 1 1 19 ARG HH21 H 0.422 0.121 -17.730 1.00 . A A . 18 ARG HH21 1 1 6 2887 1 1 19 ARG HH22 H -0.156 -0.022 -16.073 1.00 . A A . 18 ARG HH22 1 1 6 2888 1 1 19 ARG N N 7.251 -1.183 -13.794 1.00 . A A . 18 ARG N 1 1 6 2889 1 1 19 ARG NE N 2.774 0.717 -17.139 1.00 . A A . 18 ARG NE 1 1 6 2890 1 1 19 ARG NH1 N 1.990 0.496 -14.987 1.00 . A A . 18 ARG NH1 1 1 6 2891 1 1 19 ARG NH2 N 0.621 0.167 -16.722 1.00 . A A . 18 ARG NH2 1 1 6 2892 1 1 19 ARG O O 8.800 0.979 -13.744 1.00 . A A . 18 ARG O 1 1 6 2893 1 1 20 LEU C C 8.739 3.872 -16.595 1.00 . A A . 19 LEU C 1 1 6 2894 1 1 20 LEU CA C 9.353 2.692 -15.888 1.00 . A A . 19 LEU CA 1 1 6 2895 1 1 20 LEU CB C 10.649 2.267 -16.626 1.00 . A A . 19 LEU CB 1 1 6 2896 1 1 20 LEU CD1 C 12.426 0.462 -16.760 1.00 . A A . 19 LEU CD1 1 1 6 2897 1 1 20 LEU CD2 C 12.335 1.977 -14.729 1.00 . A A . 19 LEU CD2 1 1 6 2898 1 1 20 LEU CG C 11.493 1.251 -15.810 1.00 . A A . 19 LEU CG 1 1 6 2899 1 1 20 LEU H H 7.974 1.353 -16.775 1.00 . A A . 19 LEU H 1 1 6 2900 1 1 20 LEU HA H 9.552 3.042 -14.864 1.00 . A A . 19 LEU HA 1 1 6 2901 1 1 20 LEU HB2 H 10.335 1.823 -17.583 1.00 . A A . 19 LEU HB2 1 1 6 2902 1 1 20 LEU HB3 H 11.294 3.131 -16.850 1.00 . A A . 19 LEU HB3 1 1 6 2903 1 1 20 LEU HD11 H 13.069 1.152 -17.327 1.00 . A A . 19 LEU HD11 1 1 6 2904 1 1 20 LEU HD12 H 11.828 -0.132 -17.469 1.00 . A A . 19 LEU HD12 1 1 6 2905 1 1 20 LEU HD13 H 13.059 -0.225 -16.179 1.00 . A A . 19 LEU HD13 1 1 6 2906 1 1 20 LEU HD21 H 12.832 1.236 -14.086 1.00 . A A . 19 LEU HD21 1 1 6 2907 1 1 20 LEU HD22 H 11.712 2.619 -14.090 1.00 . A A . 19 LEU HD22 1 1 6 2908 1 1 20 LEU HD23 H 13.106 2.603 -15.204 1.00 . A A . 19 LEU HD23 1 1 6 2909 1 1 20 LEU HG H 10.832 0.518 -15.325 1.00 . A A . 19 LEU HG 1 1 6 2910 1 1 20 LEU N N 8.432 1.562 -15.909 1.00 . A A . 19 LEU N 1 1 6 2911 1 1 20 LEU O O 9.479 4.707 -17.082 1.00 . A A . 19 LEU O 1 1 6 2912 1 1 21 LYS C C 5.334 5.118 -17.200 1.00 . A A . 20 LYS C 1 1 6 2913 1 1 21 LYS CA C 6.826 5.132 -17.353 1.00 . A A . 20 LYS CA 1 1 6 2914 1 1 21 LYS CB C 7.188 5.231 -18.850 1.00 . A A . 20 LYS CB 1 1 6 2915 1 1 21 LYS CD C 7.648 3.839 -20.905 1.00 . A A . 20 LYS CD 1 1 6 2916 1 1 21 LYS CE C 6.963 2.915 -21.938 1.00 . A A . 20 LYS CE 1 1 6 2917 1 1 21 LYS CG C 6.830 3.922 -19.592 1.00 . A A . 20 LYS CG 1 1 6 2918 1 1 21 LYS H H 6.762 3.349 -16.245 1.00 . A A . 20 LYS H 1 1 6 2919 1 1 21 LYS HA H 7.207 6.003 -16.822 1.00 . A A . 20 LYS HA 1 1 6 2920 1 1 21 LYS HB2 H 6.631 6.066 -19.303 1.00 . A A . 20 LYS HB2 1 1 6 2921 1 1 21 LYS HB3 H 8.258 5.449 -18.968 1.00 . A A . 20 LYS HB3 1 1 6 2922 1 1 21 LYS HD2 H 7.750 4.839 -21.354 1.00 . A A . 20 LYS HD2 1 1 6 2923 1 1 21 LYS HD3 H 8.652 3.454 -20.660 1.00 . A A . 20 LYS HD3 1 1 6 2924 1 1 21 LYS HE2 H 6.834 1.917 -21.487 1.00 . A A . 20 LYS HE2 1 1 6 2925 1 1 21 LYS HE3 H 5.963 3.323 -22.164 1.00 . A A . 20 LYS HE3 1 1 6 2926 1 1 21 LYS HG2 H 7.067 3.036 -18.983 1.00 . A A . 20 LYS HG2 1 1 6 2927 1 1 21 LYS HG3 H 5.749 3.923 -19.796 1.00 . A A . 20 LYS HG3 1 1 6 2928 1 1 21 LYS HZ1 H 7.262 3.349 -23.998 1.00 . A A . 20 LYS HZ1 1 1 6 2929 1 1 21 LYS HZ2 H 7.887 1.801 -23.494 1.00 . A A . 20 LYS HZ2 1 1 6 2930 1 1 21 LYS HZ3 H 8.740 3.260 -23.104 1.00 . A A . 20 LYS HZ3 1 1 6 2931 1 1 21 LYS N N 7.397 3.987 -16.670 1.00 . A A . 20 LYS N 1 1 6 2932 1 1 21 LYS NZ N 7.753 2.828 -23.187 1.00 . A A . 20 LYS NZ 1 1 6 2933 1 1 21 LYS O O 4.741 4.056 -17.265 1.00 . A A . 20 LYS O 1 1 6 2934 1 1 22 CYS C C 2.529 5.784 -17.889 1.00 . A A . 21 CYS C 1 1 6 2935 1 1 22 CYS CA C 3.295 6.265 -16.684 1.00 . A A . 21 CYS CA 1 1 6 2936 1 1 22 CYS CB C 2.886 7.683 -16.237 1.00 . A A . 21 CYS CB 1 1 6 2937 1 1 22 CYS H H 5.201 7.160 -16.954 1.00 . A A . 21 CYS H 1 1 6 2938 1 1 22 CYS HA H 3.104 5.575 -15.850 1.00 . A A . 21 CYS HA 1 1 6 2939 1 1 22 CYS HB2 H 3.517 8.039 -15.408 1.00 . A A . 21 CYS HB2 1 1 6 2940 1 1 22 CYS HB3 H 2.938 8.396 -17.071 1.00 . A A . 21 CYS HB3 1 1 6 2941 1 1 22 CYS N N 4.713 6.283 -16.969 1.00 . A A . 21 CYS N 1 1 6 2942 1 1 22 CYS O O 2.820 6.237 -18.982 1.00 . A A . 21 CYS O 1 1 6 2943 1 1 22 CYS SG S 1.205 7.547 -15.617 1.00 . A A . 21 CYS SG 1 1 6 2944 1 1 23 PHE C C -0.433 5.209 -19.153 1.00 . A A . 22 PHE C 1 1 6 2945 1 1 23 PHE CA C 0.793 4.377 -18.869 1.00 . A A . 22 PHE CA 1 1 6 2946 1 1 23 PHE CB C 0.367 2.921 -18.569 1.00 . A A . 22 PHE CB 1 1 6 2947 1 1 23 PHE CD1 C 1.598 1.778 -20.467 1.00 . A A . 22 PHE CD1 1 1 6 2948 1 1 23 PHE CD2 C -0.790 1.456 -20.303 1.00 . A A . 22 PHE CD2 1 1 6 2949 1 1 23 PHE CE1 C 1.637 0.949 -21.588 1.00 . A A . 22 PHE CE1 1 1 6 2950 1 1 23 PHE CE2 C -0.752 0.626 -21.426 1.00 . A A . 22 PHE CE2 1 1 6 2951 1 1 23 PHE CG C 0.386 2.031 -19.815 1.00 . A A . 22 PHE CG 1 1 6 2952 1 1 23 PHE CZ C 0.461 0.373 -22.069 1.00 . A A . 22 PHE CZ 1 1 6 2953 1 1 23 PHE H H 1.276 4.563 -16.804 1.00 . A A . 22 PHE H 1 1 6 2954 1 1 23 PHE HA H 1.428 4.391 -19.767 1.00 . A A . 22 PHE HA 1 1 6 2955 1 1 23 PHE HB2 H 1.111 2.503 -17.884 1.00 . A A . 22 PHE HB2 1 1 6 2956 1 1 23 PHE HB3 H -0.606 2.902 -18.055 1.00 . A A . 22 PHE HB3 1 1 6 2957 1 1 23 PHE HD1 H 2.520 2.226 -20.108 1.00 . A A . 22 PHE HD1 1 1 6 2958 1 1 23 PHE HD2 H -1.740 1.648 -19.815 1.00 . A A . 22 PHE HD2 1 1 6 2959 1 1 23 PHE HE1 H 2.582 0.752 -22.084 1.00 . A A . 22 PHE HE1 1 1 6 2960 1 1 23 PHE HE2 H -1.666 0.177 -21.799 1.00 . A A . 22 PHE HE2 1 1 6 2961 1 1 23 PHE HZ H 0.489 -0.270 -22.944 1.00 . A A . 22 PHE HZ 1 1 6 2962 1 1 23 PHE N N 1.544 4.873 -17.718 1.00 . A A . 22 PHE N 1 1 6 2963 1 1 23 PHE O O -1.235 4.808 -19.981 1.00 . A A . 22 PHE O 1 1 6 2964 1 1 24 ARG C C -1.238 8.504 -19.344 1.00 . A A . 23 ARG C 1 1 6 2965 1 1 24 ARG CA C -1.719 7.243 -18.676 1.00 . A A . 23 ARG CA 1 1 6 2966 1 1 24 ARG CB C -2.397 7.512 -17.309 1.00 . A A . 23 ARG CB 1 1 6 2967 1 1 24 ARG CD C -4.805 8.289 -16.669 1.00 . A A . 23 ARG CD 1 1 6 2968 1 1 24 ARG CG C -3.485 8.610 -17.427 1.00 . A A . 23 ARG CG 1 1 6 2969 1 1 24 ARG CZ C -5.943 8.975 -14.609 1.00 . A A . 23 ARG CZ 1 1 6 2970 1 1 24 ARG H H 0.081 6.649 -17.794 1.00 . A A . 23 ARG H 1 1 6 2971 1 1 24 ARG HA H -2.473 6.778 -19.330 1.00 . A A . 23 ARG HA 1 1 6 2972 1 1 24 ARG HB2 H -2.832 6.543 -17.039 1.00 . A A . 23 ARG HB2 1 1 6 2973 1 1 24 ARG HB3 H -1.665 7.800 -16.537 1.00 . A A . 23 ARG HB3 1 1 6 2974 1 1 24 ARG HD2 H -5.595 8.770 -17.264 1.00 . A A . 23 ARG HD2 1 1 6 2975 1 1 24 ARG HD3 H -4.997 7.205 -16.639 1.00 . A A . 23 ARG HD3 1 1 6 2976 1 1 24 ARG HE H -3.971 9.232 -14.964 1.00 . A A . 23 ARG HE 1 1 6 2977 1 1 24 ARG HG2 H -3.065 9.580 -17.115 1.00 . A A . 23 ARG HG2 1 1 6 2978 1 1 24 ARG HG3 H -3.756 8.705 -18.488 1.00 . A A . 23 ARG HG3 1 1 6 2979 1 1 24 ARG HH11 H -7.204 7.991 -15.882 1.00 . A A . 23 ARG HH11 1 1 6 2980 1 1 24 ARG HH12 H -7.944 8.624 -14.422 1.00 . A A . 23 ARG HH12 1 1 6 2981 1 1 24 ARG HH21 H -4.990 9.972 -13.093 1.00 . A A . 23 ARG HH21 1 1 6 2982 1 1 24 ARG HH22 H -6.715 9.690 -12.859 1.00 . A A . 23 ARG HH22 1 1 6 2983 1 1 24 ARG N N -0.585 6.359 -18.465 1.00 . A A . 23 ARG N 1 1 6 2984 1 1 24 ARG NE N -4.851 8.861 -15.329 1.00 . A A . 23 ARG NE 1 1 6 2985 1 1 24 ARG NH1 N -7.100 8.504 -14.999 1.00 . A A . 23 ARG NH1 1 1 6 2986 1 1 24 ARG NH2 N -5.878 9.581 -13.449 1.00 . A A . 23 ARG NH2 1 1 6 2987 1 1 24 ARG O O -1.759 8.828 -20.399 1.00 . A A . 23 ARG O 1 1 6 2988 1 1 25 CYS C C 1.589 10.123 -20.121 1.00 . A A . 24 CYS C 1 1 6 2989 1 1 25 CYS CA C 0.270 10.405 -19.429 1.00 . A A . 24 CYS CA 1 1 6 2990 1 1 25 CYS CB C 0.389 11.533 -18.380 1.00 . A A . 24 CYS CB 1 1 6 2991 1 1 25 CYS H H 0.142 8.962 -17.886 1.00 . A A . 24 CYS H 1 1 6 2992 1 1 25 CYS HA H -0.437 10.793 -20.177 1.00 . A A . 24 CYS HA 1 1 6 2993 1 1 25 CYS HB2 H 0.599 12.508 -18.843 1.00 . A A . 24 CYS HB2 1 1 6 2994 1 1 25 CYS HB3 H -0.534 11.597 -17.787 1.00 . A A . 24 CYS HB3 1 1 6 2995 1 1 25 CYS N N -0.256 9.222 -18.763 1.00 . A A . 24 CYS N 1 1 6 2996 1 1 25 CYS O O 2.020 10.990 -20.865 1.00 . A A . 24 CYS O 1 1 6 2997 1 1 25 CYS SG S 1.743 11.150 -17.268 1.00 . A A . 24 CYS SG 1 1 6 2998 1 1 26 GLY C C 4.723 9.176 -19.691 1.00 . A A . 25 GLY C 1 1 6 2999 1 1 26 GLY CA C 3.564 8.742 -20.560 1.00 . A A . 25 GLY CA 1 1 6 3000 1 1 26 GLY H H 1.946 8.242 -19.310 1.00 . A A . 25 GLY H 1 1 6 3001 1 1 26 GLY HA2 H 3.682 7.673 -20.789 1.00 . A A . 25 GLY HA2 1 1 6 3002 1 1 26 GLY HA3 H 3.630 9.277 -21.520 1.00 . A A . 25 GLY HA3 1 1 6 3003 1 1 26 GLY N N 2.270 8.967 -19.917 1.00 . A A . 25 GLY N 1 1 6 3004 1 1 26 GLY O O 5.774 8.555 -19.742 1.00 . A A . 25 GLY O 1 1 6 3005 1 1 27 ALA C C 6.349 9.777 -17.283 1.00 . A A . 26 ALA C 1 1 6 3006 1 1 27 ALA CA C 5.667 10.813 -18.141 1.00 . A A . 26 ALA CA 1 1 6 3007 1 1 27 ALA CB C 5.233 11.974 -17.210 1.00 . A A . 26 ALA CB 1 1 6 3008 1 1 27 ALA H H 3.710 10.772 -18.933 1.00 . A A . 26 ALA H 1 1 6 3009 1 1 27 ALA HA H 6.376 11.216 -18.882 1.00 . A A . 26 ALA HA 1 1 6 3010 1 1 27 ALA HB1 H 4.799 11.573 -16.281 1.00 . A A . 26 ALA HB1 1 1 6 3011 1 1 27 ALA HB2 H 6.109 12.589 -16.954 1.00 . A A . 26 ALA HB2 1 1 6 3012 1 1 27 ALA HB3 H 4.489 12.623 -17.696 1.00 . A A . 26 ALA HB3 1 1 6 3013 1 1 27 ALA N N 4.561 10.263 -18.911 1.00 . A A . 26 ALA N 1 1 6 3014 1 1 27 ALA O O 5.714 8.825 -16.857 1.00 . A A . 26 ALA O 1 1 6 3015 1 1 28 ASP C C 8.104 9.135 -14.760 1.00 . A A . 27 ASP C 1 1 6 3016 1 1 28 ASP CA C 8.383 8.976 -16.235 1.00 . A A . 27 ASP CA 1 1 6 3017 1 1 28 ASP CB C 9.902 9.006 -16.525 1.00 . A A . 27 ASP CB 1 1 6 3018 1 1 28 ASP CG C 10.526 7.669 -16.231 1.00 . A A . 27 ASP CG 1 1 6 3019 1 1 28 ASP H H 8.154 10.753 -17.372 1.00 . A A . 27 ASP H 1 1 6 3020 1 1 28 ASP HA H 8.047 8.000 -16.582 1.00 . A A . 27 ASP HA 1 1 6 3021 1 1 28 ASP HB2 H 10.060 9.222 -17.592 1.00 . A A . 27 ASP HB2 1 1 6 3022 1 1 28 ASP HB3 H 10.388 9.791 -15.926 1.00 . A A . 27 ASP HB3 1 1 6 3023 1 1 28 ASP N N 7.660 9.961 -17.022 1.00 . A A . 27 ASP N 1 1 6 3024 1 1 28 ASP O O 7.860 10.241 -14.304 1.00 . A A . 27 ASP O 1 1 6 3025 1 1 28 ASP OD1 O 10.376 7.195 -15.075 1.00 . A A . 27 ASP OD1 1 1 6 3026 1 1 28 ASP OD2 O 11.169 7.093 -17.149 1.00 . A A . 27 ASP OD2 1 1 6 3027 1 1 29 LYS C C 9.100 9.000 -11.921 1.00 . A A . 28 LYS C 1 1 6 3028 1 1 29 LYS CA C 8.013 8.154 -12.535 1.00 . A A . 28 LYS CA 1 1 6 3029 1 1 29 LYS CB C 8.033 6.760 -11.862 1.00 . A A . 28 LYS CB 1 1 6 3030 1 1 29 LYS CD C 10.163 5.735 -10.819 1.00 . A A . 28 LYS CD 1 1 6 3031 1 1 29 LYS CE C 9.496 4.682 -9.898 1.00 . A A . 28 LYS CE 1 1 6 3032 1 1 29 LYS CG C 9.332 5.940 -12.104 1.00 . A A . 28 LYS CG 1 1 6 3033 1 1 29 LYS H H 8.377 7.144 -14.384 1.00 . A A . 28 LYS H 1 1 6 3034 1 1 29 LYS HA H 7.040 8.625 -12.315 1.00 . A A . 28 LYS HA 1 1 6 3035 1 1 29 LYS HB2 H 7.816 6.898 -10.791 1.00 . A A . 28 LYS HB2 1 1 6 3036 1 1 29 LYS HB3 H 7.213 6.191 -12.307 1.00 . A A . 28 LYS HB3 1 1 6 3037 1 1 29 LYS HD2 H 11.168 5.372 -11.088 1.00 . A A . 28 LYS HD2 1 1 6 3038 1 1 29 LYS HD3 H 10.270 6.714 -10.328 1.00 . A A . 28 LYS HD3 1 1 6 3039 1 1 29 LYS HE2 H 8.412 4.849 -9.846 1.00 . A A . 28 LYS HE2 1 1 6 3040 1 1 29 LYS HE3 H 9.662 3.675 -10.314 1.00 . A A . 28 LYS HE3 1 1 6 3041 1 1 29 LYS HG2 H 9.085 4.957 -12.537 1.00 . A A . 28 LYS HG2 1 1 6 3042 1 1 29 LYS HG3 H 9.994 6.459 -12.804 1.00 . A A . 28 LYS HG3 1 1 6 3043 1 1 29 LYS HZ1 H 10.047 5.771 -8.157 1.00 . A A . 28 LYS HZ1 1 1 6 3044 1 1 29 LYS HZ2 H 11.050 4.373 -8.495 1.00 . A A . 28 LYS HZ2 1 1 6 3045 1 1 29 LYS HZ3 H 9.423 4.181 -7.854 1.00 . A A . 28 LYS HZ3 1 1 6 3046 1 1 29 LYS N N 8.159 8.036 -13.981 1.00 . A A . 28 LYS N 1 1 6 3047 1 1 29 LYS NZ N 10.041 4.756 -8.527 1.00 . A A . 28 LYS NZ 1 1 6 3048 1 1 29 LYS O O 8.892 9.491 -10.823 1.00 . A A . 28 LYS O 1 1 6 3049 1 1 30 PHE C C 11.363 11.332 -12.840 1.00 . A A . 29 PHE C 1 1 6 3050 1 1 30 PHE CA C 11.320 10.023 -12.077 1.00 . A A . 29 PHE CA 1 1 6 3051 1 1 30 PHE CB C 12.661 9.235 -12.166 1.00 . A A . 29 PHE CB 1 1 6 3052 1 1 30 PHE CD1 C 13.606 10.114 -9.978 1.00 . A A . 29 PHE CD1 1 1 6 3053 1 1 30 PHE CD2 C 13.621 7.730 -10.347 1.00 . A A . 29 PHE CD2 1 1 6 3054 1 1 30 PHE CE1 C 14.190 9.924 -8.723 1.00 . A A . 29 PHE CE1 1 1 6 3055 1 1 30 PHE CE2 C 14.226 7.539 -9.104 1.00 . A A . 29 PHE CE2 1 1 6 3056 1 1 30 PHE CG C 13.310 9.018 -10.792 1.00 . A A . 29 PHE CG 1 1 6 3057 1 1 30 PHE CZ C 14.509 8.637 -8.289 1.00 . A A . 29 PHE CZ 1 1 6 3058 1 1 30 PHE H H 10.395 8.771 -13.509 1.00 . A A . 29 PHE H 1 1 6 3059 1 1 30 PHE HA H 11.132 10.284 -11.025 1.00 . A A . 29 PHE HA 1 1 6 3060 1 1 30 PHE HB2 H 12.478 8.251 -12.622 1.00 . A A . 29 PHE HB2 1 1 6 3061 1 1 30 PHE HB3 H 13.394 9.750 -12.803 1.00 . A A . 29 PHE HB3 1 1 6 3062 1 1 30 PHE HD1 H 13.385 11.123 -10.315 1.00 . A A . 29 PHE HD1 1 1 6 3063 1 1 30 PHE HD2 H 13.403 6.863 -10.962 1.00 . A A . 29 PHE HD2 1 1 6 3064 1 1 30 PHE HE1 H 14.398 10.779 -8.087 1.00 . A A . 29 PHE HE1 1 1 6 3065 1 1 30 PHE HE2 H 14.480 6.538 -8.772 1.00 . A A . 29 PHE HE2 1 1 6 3066 1 1 30 PHE HZ H 14.977 8.489 -7.322 1.00 . A A . 29 PHE HZ 1 1 6 3067 1 1 30 PHE N N 10.254 9.178 -12.605 1.00 . A A . 29 PHE N 1 1 6 3068 1 1 30 PHE O O 12.401 11.973 -12.887 1.00 . A A . 29 PHE O 1 1 6 3069 1 1 31 ASP C C 10.264 14.175 -13.277 1.00 . A A . 30 ASP C 1 1 6 3070 1 1 31 ASP CA C 10.256 13.000 -14.223 1.00 . A A . 30 ASP CA 1 1 6 3071 1 1 31 ASP CB C 9.013 13.055 -15.141 1.00 . A A . 30 ASP CB 1 1 6 3072 1 1 31 ASP CG C 8.960 14.345 -15.911 1.00 . A A . 30 ASP CG 1 1 6 3073 1 1 31 ASP H H 9.368 11.272 -13.376 1.00 . A A . 30 ASP H 1 1 6 3074 1 1 31 ASP HA H 11.140 13.020 -14.883 1.00 . A A . 30 ASP HA 1 1 6 3075 1 1 31 ASP HB2 H 9.093 12.220 -15.847 1.00 . A A . 30 ASP HB2 1 1 6 3076 1 1 31 ASP HB3 H 8.084 12.943 -14.562 1.00 . A A . 30 ASP HB3 1 1 6 3077 1 1 31 ASP N N 10.239 11.762 -13.452 1.00 . A A . 30 ASP N 1 1 6 3078 1 1 31 ASP O O 9.217 14.547 -12.773 1.00 . A A . 30 ASP O 1 1 6 3079 1 1 31 ASP OD1 O 9.577 14.402 -17.008 1.00 . A A . 30 ASP OD1 1 1 6 3080 1 1 31 ASP OD2 O 8.294 15.305 -15.439 1.00 . A A . 30 ASP OD2 1 1 6 3081 1 1 32 NH2 HN1 H 12.295 14.463 -13.381 1.00 . A A . 31 NH2 HN1 1 1 6 3082 1 1 32 NH2 HN2 H 11.424 15.578 -12.384 1.00 . A A . 31 NH2 HN2 1 1 6 3083 1 1 32 NH2 N N 11.431 14.788 -12.997 1.00 . A A . 31 NH2 N 1 1 6 3084 2 2 1 ZN ZN ZN 1.059 9.921 -15.356 1.00 . B A . 32 ZN ZN 1 1 7 3085 1 1 1 ACE C C 2.881 0.973 0.378 1.00 . A A . 0 ACE C 1 1 7 3086 1 1 1 ACE CH3 C 3.971 1.889 0.868 1.00 . A A . 0 ACE CH3 1 1 7 3087 1 1 1 ACE H1 H 3.918 2.846 0.328 1.00 . A A . 0 ACE H1 1 1 7 3088 1 1 1 ACE H2 H 4.957 1.431 0.697 1.00 . A A . 0 ACE H2 1 1 7 3089 1 1 1 ACE H3 H 3.851 2.084 1.945 1.00 . A A . 0 ACE H3 1 1 7 3090 1 1 1 ACE O O 2.019 0.617 1.166 1.00 . A A . 0 ACE O 1 1 7 3091 1 1 2 LYS C C 2.479 -1.586 -1.849 1.00 . A A . 1 LYS C 1 1 7 3092 1 1 2 LYS CA C 1.867 -0.254 -1.488 1.00 . A A . 1 LYS CA 1 1 7 3093 1 1 2 LYS CB C 1.273 0.481 -2.723 1.00 . A A . 1 LYS CB 1 1 7 3094 1 1 2 LYS CD C -0.884 1.466 -3.703 1.00 . A A . 1 LYS CD 1 1 7 3095 1 1 2 LYS CE C -1.066 2.707 -2.785 1.00 . A A . 1 LYS CE 1 1 7 3096 1 1 2 LYS CG C -0.258 0.278 -2.937 1.00 . A A . 1 LYS CG 1 1 7 3097 1 1 2 LYS H H 3.656 0.891 -1.522 1.00 . A A . 1 LYS H 1 1 7 3098 1 1 2 LYS HA H 1.078 -0.447 -0.748 1.00 . A A . 1 LYS HA 1 1 7 3099 1 1 2 LYS HB2 H 1.448 1.557 -2.575 1.00 . A A . 1 LYS HB2 1 1 7 3100 1 1 2 LYS HB3 H 1.821 0.176 -3.628 1.00 . A A . 1 LYS HB3 1 1 7 3101 1 1 2 LYS HD2 H -0.260 1.707 -4.578 1.00 . A A . 1 LYS HD2 1 1 7 3102 1 1 2 LYS HD3 H -1.863 1.128 -4.078 1.00 . A A . 1 LYS HD3 1 1 7 3103 1 1 2 LYS HE2 H -0.950 2.434 -1.724 1.00 . A A . 1 LYS HE2 1 1 7 3104 1 1 2 LYS HE3 H -0.292 3.456 -3.020 1.00 . A A . 1 LYS HE3 1 1 7 3105 1 1 2 LYS HG2 H -0.473 -0.591 -3.572 1.00 . A A . 1 LYS HG2 1 1 7 3106 1 1 2 LYS HG3 H -0.794 0.137 -1.987 1.00 . A A . 1 LYS HG3 1 1 7 3107 1 1 2 LYS HZ1 H -2.586 4.032 -2.163 1.00 . A A . 1 LYS HZ1 1 1 7 3108 1 1 2 LYS HZ2 H -3.201 2.574 -2.847 1.00 . A A . 1 LYS HZ2 1 1 7 3109 1 1 2 LYS HZ3 H -2.507 3.795 -3.899 1.00 . A A . 1 LYS HZ3 1 1 7 3110 1 1 2 LYS N N 2.912 0.599 -0.921 1.00 . A A . 1 LYS N 1 1 7 3111 1 1 2 LYS NZ N -2.409 3.305 -2.941 1.00 . A A . 1 LYS NZ 1 1 7 3112 1 1 2 LYS O O 3.606 -1.856 -1.465 1.00 . A A . 1 LYS O 1 1 7 3113 1 1 3 PHE C C 3.183 -3.661 -4.131 1.00 . A A . 2 PHE C 1 1 7 3114 1 1 3 PHE CA C 2.227 -3.753 -2.967 1.00 . A A . 2 PHE CA 1 1 7 3115 1 1 3 PHE CB C 0.973 -4.601 -3.319 1.00 . A A . 2 PHE CB 1 1 7 3116 1 1 3 PHE CD1 C 1.338 -6.589 -1.823 1.00 . A A . 2 PHE CD1 1 1 7 3117 1 1 3 PHE CD2 C 1.413 -6.947 -4.217 1.00 . A A . 2 PHE CD2 1 1 7 3118 1 1 3 PHE CE1 C 1.570 -7.946 -1.608 1.00 . A A . 2 PHE CE1 1 1 7 3119 1 1 3 PHE CE2 C 1.633 -8.308 -4.000 1.00 . A A . 2 PHE CE2 1 1 7 3120 1 1 3 PHE CG C 1.254 -6.089 -3.126 1.00 . A A . 2 PHE CG 1 1 7 3121 1 1 3 PHE CZ C 1.713 -8.807 -2.698 1.00 . A A . 2 PHE CZ 1 1 7 3122 1 1 3 PHE H H 0.861 -2.177 -2.948 1.00 . A A . 2 PHE H 1 1 7 3123 1 1 3 PHE HA H 2.744 -4.205 -2.107 1.00 . A A . 2 PHE HA 1 1 7 3124 1 1 3 PHE HB2 H 0.153 -4.372 -2.620 1.00 . A A . 2 PHE HB2 1 1 7 3125 1 1 3 PHE HB3 H 0.610 -4.374 -4.334 1.00 . A A . 2 PHE HB3 1 1 7 3126 1 1 3 PHE HD1 H 1.220 -5.925 -0.973 1.00 . A A . 2 PHE HD1 1 1 7 3127 1 1 3 PHE HD2 H 1.365 -6.562 -5.231 1.00 . A A . 2 PHE HD2 1 1 7 3128 1 1 3 PHE HE1 H 1.640 -8.329 -0.595 1.00 . A A . 2 PHE HE1 1 1 7 3129 1 1 3 PHE HE2 H 1.741 -8.978 -4.845 1.00 . A A . 2 PHE HE2 1 1 7 3130 1 1 3 PHE HZ H 1.885 -9.865 -2.531 1.00 . A A . 2 PHE HZ 1 1 7 3131 1 1 3 PHE N N 1.748 -2.432 -2.600 1.00 . A A . 2 PHE N 1 1 7 3132 1 1 3 PHE O O 2.942 -4.276 -5.156 1.00 . A A . 2 PHE O 1 1 7 3133 1 1 4 GLU C C 4.704 -1.939 -6.179 1.00 . A A . 3 GLU C 1 1 7 3134 1 1 4 GLU CA C 5.264 -2.784 -5.052 1.00 . A A . 3 GLU CA 1 1 7 3135 1 1 4 GLU CB C 5.747 -4.209 -5.461 1.00 . A A . 3 GLU CB 1 1 7 3136 1 1 4 GLU CD C 8.023 -5.349 -5.357 1.00 . A A . 3 GLU CD 1 1 7 3137 1 1 4 GLU CG C 7.198 -4.278 -6.006 1.00 . A A . 3 GLU CG 1 1 7 3138 1 1 4 GLU H H 4.471 -2.430 -3.112 1.00 . A A . 3 GLU H 1 1 7 3139 1 1 4 GLU HA H 6.116 -2.234 -4.625 1.00 . A A . 3 GLU HA 1 1 7 3140 1 1 4 GLU HB2 H 5.709 -4.827 -4.552 1.00 . A A . 3 GLU HB2 1 1 7 3141 1 1 4 GLU HB3 H 5.079 -4.662 -6.210 1.00 . A A . 3 GLU HB3 1 1 7 3142 1 1 4 GLU HG2 H 7.194 -4.530 -7.076 1.00 . A A . 3 GLU HG2 1 1 7 3143 1 1 4 GLU HG3 H 7.714 -3.325 -5.855 1.00 . A A . 3 GLU HG3 1 1 7 3144 1 1 4 GLU N N 4.287 -2.901 -3.976 1.00 . A A . 3 GLU N 1 1 7 3145 1 1 4 GLU O O 4.527 -2.424 -7.286 1.00 . A A . 3 GLU O 1 1 7 3146 1 1 4 GLU OE1 O 7.605 -6.535 -5.415 1.00 . A A . 3 GLU OE1 1 1 7 3147 1 1 4 GLU OE2 O 9.101 -5.007 -4.799 1.00 . A A . 3 GLU OE2 1 1 7 3148 1 1 5 ASP C C 4.322 1.656 -6.719 1.00 . A A . 4 ASP C 1 1 7 3149 1 1 5 ASP CA C 3.888 0.229 -6.960 1.00 . A A . 4 ASP CA 1 1 7 3150 1 1 5 ASP CB C 2.342 0.149 -6.959 1.00 . A A . 4 ASP CB 1 1 7 3151 1 1 5 ASP CG C 1.813 -1.257 -6.969 1.00 . A A . 4 ASP CG 1 1 7 3152 1 1 5 ASP H H 4.575 -0.239 -5.010 1.00 . A A . 4 ASP H 1 1 7 3153 1 1 5 ASP HA H 4.283 -0.046 -7.945 1.00 . A A . 4 ASP HA 1 1 7 3154 1 1 5 ASP HB2 H 1.967 0.651 -6.057 1.00 . A A . 4 ASP HB2 1 1 7 3155 1 1 5 ASP HB3 H 1.932 0.668 -7.835 1.00 . A A . 4 ASP HB3 1 1 7 3156 1 1 5 ASP N N 4.438 -0.636 -5.918 1.00 . A A . 4 ASP N 1 1 7 3157 1 1 5 ASP O O 4.957 1.904 -5.707 1.00 . A A . 4 ASP O 1 1 7 3158 1 1 5 ASP OD1 O 1.731 -1.857 -5.863 1.00 . A A . 4 ASP OD1 1 1 7 3159 1 1 5 ASP OD2 O 1.449 -1.757 -8.067 1.00 . A A . 4 ASP OD2 1 1 7 3160 1 1 6 TRP C C 3.265 4.881 -8.027 1.00 . A A . 5 TRP C 1 1 7 3161 1 1 6 TRP CA C 4.329 4.001 -7.420 1.00 . A A . 5 TRP CA 1 1 7 3162 1 1 6 TRP CB C 5.700 4.298 -8.063 1.00 . A A . 5 TRP CB 1 1 7 3163 1 1 6 TRP CD1 C 6.177 2.671 -9.950 1.00 . A A . 5 TRP CD1 1 1 7 3164 1 1 6 TRP CD2 C 5.232 4.601 -10.687 1.00 . A A . 5 TRP CD2 1 1 7 3165 1 1 6 TRP CE2 C 5.503 3.740 -11.733 1.00 . A A . 5 TRP CE2 1 1 7 3166 1 1 6 TRP CE3 C 4.672 5.863 -10.870 1.00 . A A . 5 TRP CE3 1 1 7 3167 1 1 6 TRP CG C 5.712 3.839 -9.490 1.00 . A A . 5 TRP CG 1 1 7 3168 1 1 6 TRP CH2 C 4.709 5.379 -13.250 1.00 . A A . 5 TRP CH2 1 1 7 3169 1 1 6 TRP CZ2 C 5.237 4.103 -13.046 1.00 . A A . 5 TRP CZ2 1 1 7 3170 1 1 6 TRP CZ3 C 4.374 6.213 -12.184 1.00 . A A . 5 TRP CZ3 1 1 7 3171 1 1 6 TRP H H 3.529 2.354 -8.488 1.00 . A A . 5 TRP H 1 1 7 3172 1 1 6 TRP HA H 4.375 4.235 -6.345 1.00 . A A . 5 TRP HA 1 1 7 3173 1 1 6 TRP HB2 H 5.943 5.370 -8.029 1.00 . A A . 5 TRP HB2 1 1 7 3174 1 1 6 TRP HB3 H 6.474 3.748 -7.508 1.00 . A A . 5 TRP HB3 1 1 7 3175 1 1 6 TRP HD1 H 6.586 1.966 -9.246 1.00 . A A . 5 TRP HD1 1 1 7 3176 1 1 6 TRP HE1 H 6.339 1.803 -11.835 1.00 . A A . 5 TRP HE1 1 1 7 3177 1 1 6 TRP HE3 H 4.502 6.519 -10.037 1.00 . A A . 5 TRP HE3 1 1 7 3178 1 1 6 TRP HH2 H 4.550 5.754 -14.238 1.00 . A A . 5 TRP HH2 1 1 7 3179 1 1 6 TRP HZ2 H 5.424 3.446 -13.872 1.00 . A A . 5 TRP HZ2 1 1 7 3180 1 1 6 TRP HZ3 H 3.883 7.135 -12.422 1.00 . A A . 5 TRP HZ3 1 1 7 3181 1 1 6 TRP N N 3.990 2.597 -7.630 1.00 . A A . 5 TRP N 1 1 7 3182 1 1 6 TRP NE1 N 6.047 2.604 -11.250 1.00 . A A . 5 TRP NE1 1 1 7 3183 1 1 6 TRP O O 2.463 4.354 -8.780 1.00 . A A . 5 TRP O 1 1 7 3184 1 1 7 LEU C C 2.860 8.137 -9.115 1.00 . A A . 6 LEU C 1 1 7 3185 1 1 7 LEU CA C 2.237 7.106 -8.212 1.00 . A A . 6 LEU CA 1 1 7 3186 1 1 7 LEU CB C 1.531 7.899 -7.091 1.00 . A A . 6 LEU CB 1 1 7 3187 1 1 7 LEU CD1 C 1.538 7.028 -4.682 1.00 . A A . 6 LEU CD1 1 1 7 3188 1 1 7 LEU CD2 C -0.652 7.323 -5.932 1.00 . A A . 6 LEU CD2 1 1 7 3189 1 1 7 LEU CG C 0.847 6.954 -6.066 1.00 . A A . 6 LEU CG 1 1 7 3190 1 1 7 LEU H H 3.950 6.593 -7.095 1.00 . A A . 6 LEU H 1 1 7 3191 1 1 7 LEU HA H 1.463 6.557 -8.758 1.00 . A A . 6 LEU HA 1 1 7 3192 1 1 7 LEU HB2 H 2.259 8.551 -6.586 1.00 . A A . 6 LEU HB2 1 1 7 3193 1 1 7 LEU HB3 H 0.788 8.546 -7.585 1.00 . A A . 6 LEU HB3 1 1 7 3194 1 1 7 LEU HD11 H 1.113 6.268 -4.008 1.00 . A A . 6 LEU HD11 1 1 7 3195 1 1 7 LEU HD12 H 1.385 8.022 -4.236 1.00 . A A . 6 LEU HD12 1 1 7 3196 1 1 7 LEU HD13 H 2.619 6.840 -4.781 1.00 . A A . 6 LEU HD13 1 1 7 3197 1 1 7 LEU HD21 H -1.168 7.112 -6.882 1.00 . A A . 6 LEU HD21 1 1 7 3198 1 1 7 LEU HD22 H -0.765 8.392 -5.701 1.00 . A A . 6 LEU HD22 1 1 7 3199 1 1 7 LEU HD23 H -1.122 6.739 -5.127 1.00 . A A . 6 LEU HD23 1 1 7 3200 1 1 7 LEU HG H 0.928 5.914 -6.415 1.00 . A A . 6 LEU HG 1 1 7 3201 1 1 7 LEU N N 3.255 6.196 -7.694 1.00 . A A . 6 LEU N 1 1 7 3202 1 1 7 LEU O O 3.873 8.702 -8.738 1.00 . A A . 6 LEU O 1 1 7 3203 1 1 8 CYS C C 2.951 10.721 -10.600 1.00 . A A . 7 CYS C 1 1 7 3204 1 1 8 CYS CA C 2.907 9.343 -11.207 1.00 . A A . 7 CYS CA 1 1 7 3205 1 1 8 CYS CB C 2.122 9.346 -12.543 1.00 . A A . 7 CYS CB 1 1 7 3206 1 1 8 CYS H H 1.459 7.899 -10.612 1.00 . A A . 7 CYS H 1 1 7 3207 1 1 8 CYS HA H 3.956 9.058 -11.367 1.00 . A A . 7 CYS HA 1 1 7 3208 1 1 8 CYS HB2 H 1.968 8.332 -12.940 1.00 . A A . 7 CYS HB2 1 1 7 3209 1 1 8 CYS HB3 H 1.141 9.798 -12.373 1.00 . A A . 7 CYS HB3 1 1 7 3210 1 1 8 CYS N N 2.286 8.382 -10.310 1.00 . A A . 7 CYS N 1 1 7 3211 1 1 8 CYS O O 2.107 11.037 -9.780 1.00 . A A . 7 CYS O 1 1 7 3212 1 1 8 CYS SG S 2.952 10.328 -13.813 1.00 . A A . 7 CYS SG 1 1 7 3213 1 1 9 ASN C C 3.356 13.899 -11.397 1.00 . A A . 8 ASN C 1 1 7 3214 1 1 9 ASN CA C 4.043 12.908 -10.480 1.00 . A A . 8 ASN CA 1 1 7 3215 1 1 9 ASN CB C 5.546 13.253 -10.272 1.00 . A A . 8 ASN CB 1 1 7 3216 1 1 9 ASN CG C 5.836 13.598 -8.834 1.00 . A A . 8 ASN CG 1 1 7 3217 1 1 9 ASN H H 4.569 11.281 -11.742 1.00 . A A . 8 ASN H 1 1 7 3218 1 1 9 ASN HA H 3.531 12.981 -9.509 1.00 . A A . 8 ASN HA 1 1 7 3219 1 1 9 ASN HB2 H 6.173 12.376 -10.476 1.00 . A A . 8 ASN HB2 1 1 7 3220 1 1 9 ASN HB3 H 5.871 14.041 -10.967 1.00 . A A . 8 ASN HB3 1 1 7 3221 1 1 9 ASN HD21 H 6.475 15.516 -9.215 1.00 . A A . 8 ASN HD21 1 1 7 3222 1 1 9 ASN HD22 H 6.513 15.015 -7.559 1.00 . A A . 8 ASN HD22 1 1 7 3223 1 1 9 ASN N N 3.933 11.554 -11.016 1.00 . A A . 8 ASN N 1 1 7 3224 1 1 9 ASN ND2 N 6.313 14.817 -8.518 1.00 . A A . 8 ASN ND2 1 1 7 3225 1 1 9 ASN O O 3.680 15.075 -11.354 1.00 . A A . 8 ASN O 1 1 7 3226 1 1 9 ASN OD1 O 5.640 12.753 -7.977 1.00 . A A . 8 ASN OD1 1 1 7 3227 1 1 10 LYS C C 0.254 14.036 -13.157 1.00 . A A . 9 LYS C 1 1 7 3228 1 1 10 LYS CA C 1.738 14.304 -13.197 1.00 . A A . 9 LYS CA 1 1 7 3229 1 1 10 LYS CB C 2.309 14.015 -14.611 1.00 . A A . 9 LYS CB 1 1 7 3230 1 1 10 LYS CD C 2.121 16.451 -15.407 1.00 . A A . 9 LYS CD 1 1 7 3231 1 1 10 LYS CE C 2.480 17.234 -16.697 1.00 . A A . 9 LYS CE 1 1 7 3232 1 1 10 LYS CG C 3.056 15.225 -15.215 1.00 . A A . 9 LYS CG 1 1 7 3233 1 1 10 LYS H H 2.161 12.475 -12.244 1.00 . A A . 9 LYS H 1 1 7 3234 1 1 10 LYS HA H 1.867 15.360 -12.921 1.00 . A A . 9 LYS HA 1 1 7 3235 1 1 10 LYS HB2 H 3.020 13.175 -14.556 1.00 . A A . 9 LYS HB2 1 1 7 3236 1 1 10 LYS HB3 H 1.509 13.727 -15.312 1.00 . A A . 9 LYS HB3 1 1 7 3237 1 1 10 LYS HD2 H 1.065 16.141 -15.478 1.00 . A A . 9 LYS HD2 1 1 7 3238 1 1 10 LYS HD3 H 2.230 17.101 -14.526 1.00 . A A . 9 LYS HD3 1 1 7 3239 1 1 10 LYS HE2 H 3.569 17.198 -16.860 1.00 . A A . 9 LYS HE2 1 1 7 3240 1 1 10 LYS HE3 H 1.995 16.720 -17.544 1.00 . A A . 9 LYS HE3 1 1 7 3241 1 1 10 LYS HG2 H 3.901 15.504 -14.562 1.00 . A A . 9 LYS HG2 1 1 7 3242 1 1 10 LYS HG3 H 3.463 14.892 -16.182 1.00 . A A . 9 LYS HG3 1 1 7 3243 1 1 10 LYS HZ1 H 1.467 18.921 -17.516 1.00 . A A . 9 LYS HZ1 1 1 7 3244 1 1 10 LYS HZ2 H 2.918 19.304 -16.641 1.00 . A A . 9 LYS HZ2 1 1 7 3245 1 1 10 LYS HZ3 H 1.461 18.917 -15.785 1.00 . A A . 9 LYS HZ3 1 1 7 3246 1 1 10 LYS N N 2.400 13.437 -12.231 1.00 . A A . 9 LYS N 1 1 7 3247 1 1 10 LYS NZ N 2.054 18.654 -16.650 1.00 . A A . 9 LYS NZ 1 1 7 3248 1 1 10 LYS O O -0.506 14.944 -12.864 1.00 . A A . 9 LYS O 1 1 7 3249 1 1 11 CYS C C -1.895 11.705 -12.033 1.00 . A A . 10 CYS C 1 1 7 3250 1 1 11 CYS CA C -1.583 12.446 -13.320 1.00 . A A . 10 CYS CA 1 1 7 3251 1 1 11 CYS CB C -1.958 11.587 -14.541 1.00 . A A . 10 CYS CB 1 1 7 3252 1 1 11 CYS H H 0.469 12.080 -13.723 1.00 . A A . 10 CYS H 1 1 7 3253 1 1 11 CYS HA H -2.226 13.336 -13.378 1.00 . A A . 10 CYS HA 1 1 7 3254 1 1 11 CYS HB2 H -3.014 11.323 -14.476 1.00 . A A . 10 CYS HB2 1 1 7 3255 1 1 11 CYS HB3 H -1.749 12.094 -15.496 1.00 . A A . 10 CYS HB3 1 1 7 3256 1 1 11 CYS N N -0.172 12.789 -13.443 1.00 . A A . 10 CYS N 1 1 7 3257 1 1 11 CYS O O -3.055 11.399 -11.807 1.00 . A A . 10 CYS O 1 1 7 3258 1 1 11 CYS SG S -1.015 10.064 -14.483 1.00 . A A . 10 CYS SG 1 1 7 3259 1 1 12 CYS C C -1.744 9.298 -10.108 1.00 . A A . 11 CYS C 1 1 7 3260 1 1 12 CYS CA C -1.197 10.694 -9.916 1.00 . A A . 11 CYS CA 1 1 7 3261 1 1 12 CYS CB C -2.117 11.577 -9.033 1.00 . A A . 11 CYS CB 1 1 7 3262 1 1 12 CYS H H 0.042 11.661 -11.319 1.00 . A A . 11 CYS H 1 1 7 3263 1 1 12 CYS HA H -0.249 10.539 -9.386 1.00 . A A . 11 CYS HA 1 1 7 3264 1 1 12 CYS HB2 H -2.072 12.619 -9.384 1.00 . A A . 11 CYS HB2 1 1 7 3265 1 1 12 CYS HB3 H -3.161 11.235 -9.094 1.00 . A A . 11 CYS HB3 1 1 7 3266 1 1 12 CYS HG H -0.623 11.867 -7.429 1.00 . A A . 11 CYS HG 1 1 7 3267 1 1 12 CYS N N -0.906 11.397 -11.164 1.00 . A A . 11 CYS N 1 1 7 3268 1 1 12 CYS O O -2.319 8.740 -9.188 1.00 . A A . 11 CYS O 1 1 7 3269 1 1 12 CYS SG S -1.572 11.548 -7.292 1.00 . A A . 11 CYS SG 1 1 7 3270 1 1 13 LEU C C -1.123 6.380 -10.992 1.00 . A A . 12 LEU C 1 1 7 3271 1 1 13 LEU CA C -2.084 7.388 -11.584 1.00 . A A . 12 LEU CA 1 1 7 3272 1 1 13 LEU CB C -2.201 7.186 -13.120 1.00 . A A . 12 LEU CB 1 1 7 3273 1 1 13 LEU CD1 C -4.442 5.940 -13.506 1.00 . A A . 12 LEU CD1 1 1 7 3274 1 1 13 LEU CD2 C -2.308 5.162 -14.756 1.00 . A A . 12 LEU CD2 1 1 7 3275 1 1 13 LEU CG C -2.886 5.830 -13.476 1.00 . A A . 12 LEU CG 1 1 7 3276 1 1 13 LEU H H -1.033 9.155 -12.018 1.00 . A A . 12 LEU H 1 1 7 3277 1 1 13 LEU HA H -3.094 7.311 -11.153 1.00 . A A . 12 LEU HA 1 1 7 3278 1 1 13 LEU HB2 H -2.761 8.026 -13.557 1.00 . A A . 12 LEU HB2 1 1 7 3279 1 1 13 LEU HB3 H -1.176 7.231 -13.512 1.00 . A A . 12 LEU HB3 1 1 7 3280 1 1 13 LEU HD11 H -4.864 5.657 -14.481 1.00 . A A . 12 LEU HD11 1 1 7 3281 1 1 13 LEU HD12 H -4.778 6.961 -13.277 1.00 . A A . 12 LEU HD12 1 1 7 3282 1 1 13 LEU HD13 H -4.887 5.272 -12.754 1.00 . A A . 12 LEU HD13 1 1 7 3283 1 1 13 LEU HD21 H -2.291 4.070 -14.625 1.00 . A A . 12 LEU HD21 1 1 7 3284 1 1 13 LEU HD22 H -1.275 5.480 -14.967 1.00 . A A . 12 LEU HD22 1 1 7 3285 1 1 13 LEU HD23 H -2.928 5.365 -15.635 1.00 . A A . 12 LEU HD23 1 1 7 3286 1 1 13 LEU HG H -2.632 5.125 -12.674 1.00 . A A . 12 LEU HG 1 1 7 3287 1 1 13 LEU N N -1.558 8.712 -11.305 1.00 . A A . 12 LEU N 1 1 7 3288 1 1 13 LEU O O 0.076 6.532 -11.171 1.00 . A A . 12 LEU O 1 1 7 3289 1 1 14 ASN C C -0.143 3.501 -10.817 1.00 . A A . 13 ASN C 1 1 7 3290 1 1 14 ASN CA C -0.762 4.330 -9.720 1.00 . A A . 13 ASN CA 1 1 7 3291 1 1 14 ASN CB C -1.489 3.360 -8.746 1.00 . A A . 13 ASN CB 1 1 7 3292 1 1 14 ASN CG C -0.715 3.237 -7.460 1.00 . A A . 13 ASN CG 1 1 7 3293 1 1 14 ASN H H -2.625 5.270 -10.157 1.00 . A A . 13 ASN H 1 1 7 3294 1 1 14 ASN HA H 0.024 4.843 -9.158 1.00 . A A . 13 ASN HA 1 1 7 3295 1 1 14 ASN HB2 H -2.500 3.715 -8.501 1.00 . A A . 13 ASN HB2 1 1 7 3296 1 1 14 ASN HB3 H -1.596 2.365 -9.204 1.00 . A A . 13 ASN HB3 1 1 7 3297 1 1 14 ASN HD21 H -1.710 4.776 -6.553 1.00 . A A . 13 ASN HD21 1 1 7 3298 1 1 14 ASN HD22 H -0.460 4.034 -5.613 1.00 . A A . 13 ASN HD22 1 1 7 3299 1 1 14 ASN N N -1.640 5.352 -10.283 1.00 . A A . 13 ASN N 1 1 7 3300 1 1 14 ASN ND2 N -0.993 4.089 -6.455 1.00 . A A . 13 ASN ND2 1 1 7 3301 1 1 14 ASN O O -0.694 3.467 -11.906 1.00 . A A . 13 ASN O 1 1 7 3302 1 1 14 ASN OD1 O 0.147 2.382 -7.352 1.00 . A A . 13 ASN OD1 1 1 7 3303 1 1 15 ASN C C 2.477 0.903 -10.961 1.00 . A A . 14 ASN C 1 1 7 3304 1 1 15 ASN CA C 1.548 1.929 -11.565 1.00 . A A . 14 ASN CA 1 1 7 3305 1 1 15 ASN CB C 2.365 2.731 -12.602 1.00 . A A . 14 ASN CB 1 1 7 3306 1 1 15 ASN CG C 1.515 3.348 -13.679 1.00 . A A . 14 ASN CG 1 1 7 3307 1 1 15 ASN H H 1.447 2.878 -9.662 1.00 . A A . 14 ASN H 1 1 7 3308 1 1 15 ASN HA H 0.719 1.392 -12.051 1.00 . A A . 14 ASN HA 1 1 7 3309 1 1 15 ASN HB2 H 2.882 3.517 -12.038 1.00 . A A . 14 ASN HB2 1 1 7 3310 1 1 15 ASN HB3 H 3.111 2.081 -13.087 1.00 . A A . 14 ASN HB3 1 1 7 3311 1 1 15 ASN HD21 H 0.918 1.543 -14.466 1.00 . A A . 14 ASN HD21 1 1 7 3312 1 1 15 ASN HD22 H 0.262 2.953 -15.221 1.00 . A A . 14 ASN HD22 1 1 7 3313 1 1 15 ASN N N 0.980 2.803 -10.547 1.00 . A A . 14 ASN N 1 1 7 3314 1 1 15 ASN ND2 N 0.848 2.538 -14.526 1.00 . A A . 14 ASN ND2 1 1 7 3315 1 1 15 ASN O O 3.110 1.190 -9.958 1.00 . A A . 14 ASN O 1 1 7 3316 1 1 15 ASN OD1 O 1.453 4.563 -13.772 1.00 . A A . 14 ASN OD1 1 1 7 3317 1 1 16 PHE C C 4.786 -0.966 -10.863 1.00 . A A . 15 PHE C 1 1 7 3318 1 1 16 PHE CA C 3.339 -1.382 -11.016 1.00 . A A . 15 PHE CA 1 1 7 3319 1 1 16 PHE CB C 3.272 -2.699 -11.856 1.00 . A A . 15 PHE CB 1 1 7 3320 1 1 16 PHE CD1 C 3.417 -4.469 -10.031 1.00 . A A . 15 PHE CD1 1 1 7 3321 1 1 16 PHE CD2 C 1.418 -4.389 -11.375 1.00 . A A . 15 PHE CD2 1 1 7 3322 1 1 16 PHE CE1 C 2.888 -5.534 -9.300 1.00 . A A . 15 PHE CE1 1 1 7 3323 1 1 16 PHE CE2 C 0.905 -5.484 -10.675 1.00 . A A . 15 PHE CE2 1 1 7 3324 1 1 16 PHE CG C 2.684 -3.879 -11.065 1.00 . A A . 15 PHE CG 1 1 7 3325 1 1 16 PHE CZ C 1.637 -6.055 -9.632 1.00 . A A . 15 PHE CZ 1 1 7 3326 1 1 16 PHE H H 2.029 -0.458 -12.421 1.00 . A A . 15 PHE H 1 1 7 3327 1 1 16 PHE HA H 2.913 -1.591 -10.027 1.00 . A A . 15 PHE HA 1 1 7 3328 1 1 16 PHE HB2 H 2.682 -2.573 -12.774 1.00 . A A . 15 PHE HB2 1 1 7 3329 1 1 16 PHE HB3 H 4.277 -2.992 -12.187 1.00 . A A . 15 PHE HB3 1 1 7 3330 1 1 16 PHE HD1 H 4.407 -4.110 -9.785 1.00 . A A . 15 PHE HD1 1 1 7 3331 1 1 16 PHE HD2 H 0.820 -3.945 -12.163 1.00 . A A . 15 PHE HD2 1 1 7 3332 1 1 16 PHE HE1 H 3.450 -5.958 -8.474 1.00 . A A . 15 PHE HE1 1 1 7 3333 1 1 16 PHE HE2 H -0.066 -5.891 -10.940 1.00 . A A . 15 PHE HE2 1 1 7 3334 1 1 16 PHE HZ H 1.235 -6.900 -9.082 1.00 . A A . 15 PHE HZ 1 1 7 3335 1 1 16 PHE N N 2.551 -0.294 -11.586 1.00 . A A . 15 PHE N 1 1 7 3336 1 1 16 PHE O O 5.296 -0.263 -11.722 1.00 . A A . 15 PHE O 1 1 7 3337 1 1 17 ARG C C 7.702 -1.591 -10.845 1.00 . A A . 16 ARG C 1 1 7 3338 1 1 17 ARG CA C 6.907 -1.123 -9.664 1.00 . A A . 16 ARG CA 1 1 7 3339 1 1 17 ARG CB C 7.577 -1.751 -8.416 1.00 . A A . 16 ARG CB 1 1 7 3340 1 1 17 ARG CD C 9.103 -1.084 -6.432 1.00 . A A . 16 ARG CD 1 1 7 3341 1 1 17 ARG CG C 7.831 -0.746 -7.261 1.00 . A A . 16 ARG CG 1 1 7 3342 1 1 17 ARG CZ C 10.006 1.170 -6.192 1.00 . A A . 16 ARG CZ 1 1 7 3343 1 1 17 ARG H H 5.020 -1.949 -9.080 1.00 . A A . 16 ARG H 1 1 7 3344 1 1 17 ARG HA H 7.067 -0.054 -9.710 1.00 . A A . 16 ARG HA 1 1 7 3345 1 1 17 ARG HB2 H 6.932 -2.554 -8.059 1.00 . A A . 16 ARG HB2 1 1 7 3346 1 1 17 ARG HB3 H 8.523 -2.214 -8.732 1.00 . A A . 16 ARG HB3 1 1 7 3347 1 1 17 ARG HD2 H 8.892 -1.179 -5.356 1.00 . A A . 16 ARG HD2 1 1 7 3348 1 1 17 ARG HD3 H 9.551 -2.044 -6.733 1.00 . A A . 16 ARG HD3 1 1 7 3349 1 1 17 ARG HE H 10.913 -0.312 -7.249 1.00 . A A . 16 ARG HE 1 1 7 3350 1 1 17 ARG HG2 H 7.956 0.270 -7.659 1.00 . A A . 16 ARG HG2 1 1 7 3351 1 1 17 ARG HG3 H 6.956 -0.725 -6.599 1.00 . A A . 16 ARG HG3 1 1 7 3352 1 1 17 ARG HH11 H 8.214 0.968 -5.221 1.00 . A A . 16 ARG HH11 1 1 7 3353 1 1 17 ARG HH12 H 8.967 2.544 -5.098 1.00 . A A . 16 ARG HH12 1 1 7 3354 1 1 17 ARG HH21 H 11.774 1.748 -7.035 1.00 . A A . 16 ARG HH21 1 1 7 3355 1 1 17 ARG HH22 H 10.939 2.982 -6.095 1.00 . A A . 16 ARG HH22 1 1 7 3356 1 1 17 ARG N N 5.478 -1.411 -9.792 1.00 . A A . 16 ARG N 1 1 7 3357 1 1 17 ARG NE N 10.099 -0.047 -6.674 1.00 . A A . 16 ARG NE 1 1 7 3358 1 1 17 ARG NH1 N 9.001 1.581 -5.459 1.00 . A A . 16 ARG NH1 1 1 7 3359 1 1 17 ARG NH2 N 10.964 2.021 -6.461 1.00 . A A . 16 ARG NH2 1 1 7 3360 1 1 17 ARG O O 8.715 -0.995 -11.177 1.00 . A A . 16 ARG O 1 1 7 3361 1 1 18 LYS C C 8.005 -2.052 -13.714 1.00 . A A . 17 LYS C 1 1 7 3362 1 1 18 LYS CA C 7.964 -3.139 -12.656 1.00 . A A . 17 LYS CA 1 1 7 3363 1 1 18 LYS CB C 7.234 -4.373 -13.253 1.00 . A A . 17 LYS CB 1 1 7 3364 1 1 18 LYS CD C 7.606 -6.252 -14.961 1.00 . A A . 17 LYS CD 1 1 7 3365 1 1 18 LYS CE C 8.377 -5.991 -16.285 1.00 . A A . 17 LYS CE 1 1 7 3366 1 1 18 LYS CG C 8.229 -5.434 -13.795 1.00 . A A . 17 LYS CG 1 1 7 3367 1 1 18 LYS H H 6.436 -3.148 -11.158 1.00 . A A . 17 LYS H 1 1 7 3368 1 1 18 LYS HA H 8.985 -3.398 -12.332 1.00 . A A . 17 LYS HA 1 1 7 3369 1 1 18 LYS HB2 H 6.623 -4.912 -12.511 1.00 . A A . 17 LYS HB2 1 1 7 3370 1 1 18 LYS HB3 H 6.551 -3.979 -14.021 1.00 . A A . 17 LYS HB3 1 1 7 3371 1 1 18 LYS HD2 H 7.632 -7.328 -14.728 1.00 . A A . 17 LYS HD2 1 1 7 3372 1 1 18 LYS HD3 H 6.546 -5.985 -15.083 1.00 . A A . 17 LYS HD3 1 1 7 3373 1 1 18 LYS HE2 H 8.713 -4.942 -16.326 1.00 . A A . 17 LYS HE2 1 1 7 3374 1 1 18 LYS HE3 H 9.269 -6.640 -16.300 1.00 . A A . 17 LYS HE3 1 1 7 3375 1 1 18 LYS HG2 H 9.166 -4.949 -14.109 1.00 . A A . 17 LYS HG2 1 1 7 3376 1 1 18 LYS HG3 H 8.492 -6.111 -12.966 1.00 . A A . 17 LYS HG3 1 1 7 3377 1 1 18 LYS HZ1 H 7.551 -7.254 -17.785 1.00 . A A . 17 LYS HZ1 1 1 7 3378 1 1 18 LYS HZ2 H 7.991 -5.655 -18.326 1.00 . A A . 17 LYS HZ2 1 1 7 3379 1 1 18 LYS HZ3 H 6.548 -5.865 -17.407 1.00 . A A . 17 LYS HZ3 1 1 7 3380 1 1 18 LYS N N 7.247 -2.674 -11.486 1.00 . A A . 17 LYS N 1 1 7 3381 1 1 18 LYS NZ N 7.567 -6.213 -17.501 1.00 . A A . 17 LYS NZ 1 1 7 3382 1 1 18 LYS O O 8.887 -2.095 -14.558 1.00 . A A . 17 LYS O 1 1 7 3383 1 1 19 ARG C C 7.884 1.087 -14.429 1.00 . A A . 18 ARG C 1 1 7 3384 1 1 19 ARG CA C 6.979 -0.087 -14.762 1.00 . A A . 18 ARG CA 1 1 7 3385 1 1 19 ARG CB C 5.496 0.351 -15.013 1.00 . A A . 18 ARG CB 1 1 7 3386 1 1 19 ARG CD C 5.170 1.330 -17.386 1.00 . A A . 18 ARG CD 1 1 7 3387 1 1 19 ARG CG C 4.944 0.114 -16.449 1.00 . A A . 18 ARG CG 1 1 7 3388 1 1 19 ARG CZ C 6.208 0.400 -19.404 1.00 . A A . 18 ARG CZ 1 1 7 3389 1 1 19 ARG H H 6.382 -1.022 -12.966 1.00 . A A . 18 ARG H 1 1 7 3390 1 1 19 ARG HA H 7.349 -0.586 -15.662 1.00 . A A . 18 ARG HA 1 1 7 3391 1 1 19 ARG HB2 H 4.815 -0.193 -14.343 1.00 . A A . 18 ARG HB2 1 1 7 3392 1 1 19 ARG HB3 H 5.384 1.411 -14.774 1.00 . A A . 18 ARG HB3 1 1 7 3393 1 1 19 ARG HD2 H 4.319 2.010 -17.230 1.00 . A A . 18 ARG HD2 1 1 7 3394 1 1 19 ARG HD3 H 6.080 1.886 -17.132 1.00 . A A . 18 ARG HD3 1 1 7 3395 1 1 19 ARG HE H 4.365 1.242 -19.358 1.00 . A A . 18 ARG HE 1 1 7 3396 1 1 19 ARG HG2 H 5.354 -0.812 -16.875 1.00 . A A . 18 ARG HG2 1 1 7 3397 1 1 19 ARG HG3 H 3.852 -0.026 -16.382 1.00 . A A . 18 ARG HG3 1 1 7 3398 1 1 19 ARG HH11 H 7.371 0.152 -17.775 1.00 . A A . 18 ARG HH11 1 1 7 3399 1 1 19 ARG HH12 H 8.083 -0.409 -19.260 1.00 . A A . 18 ARG HH12 1 1 7 3400 1 1 19 ARG HH21 H 5.331 0.440 -21.243 1.00 . A A . 18 ARG HH21 1 1 7 3401 1 1 19 ARG HH22 H 6.940 -0.279 -21.181 1.00 . A A . 18 ARG HH22 1 1 7 3402 1 1 19 ARG N N 7.051 -1.089 -13.703 1.00 . A A . 18 ARG N 1 1 7 3403 1 1 19 ARG NE N 5.192 0.975 -18.805 1.00 . A A . 18 ARG NE 1 1 7 3404 1 1 19 ARG NH1 N 7.291 0.030 -18.774 1.00 . A A . 18 ARG NH1 1 1 7 3405 1 1 19 ARG NH2 N 6.156 0.175 -20.689 1.00 . A A . 18 ARG NH2 1 1 7 3406 1 1 19 ARG O O 7.888 1.507 -13.283 1.00 . A A . 18 ARG O 1 1 7 3407 1 1 20 LEU C C 8.925 4.024 -15.765 1.00 . A A . 19 LEU C 1 1 7 3408 1 1 20 LEU CA C 9.536 2.763 -15.203 1.00 . A A . 19 LEU CA 1 1 7 3409 1 1 20 LEU CB C 10.913 2.490 -15.866 1.00 . A A . 19 LEU CB 1 1 7 3410 1 1 20 LEU CD1 C 12.432 0.414 -15.868 1.00 . A A . 19 LEU CD1 1 1 7 3411 1 1 20 LEU CD2 C 12.807 2.253 -14.144 1.00 . A A . 19 LEU CD2 1 1 7 3412 1 1 20 LEU CG C 11.749 1.500 -15.001 1.00 . A A . 19 LEU CG 1 1 7 3413 1 1 20 LEU H H 8.621 1.284 -16.345 1.00 . A A . 19 LEU H 1 1 7 3414 1 1 20 LEU HA H 9.744 2.915 -14.146 1.00 . A A . 19 LEU HA 1 1 7 3415 1 1 20 LEU HB2 H 10.742 2.109 -16.884 1.00 . A A . 19 LEU HB2 1 1 7 3416 1 1 20 LEU HB3 H 11.479 3.425 -15.982 1.00 . A A . 19 LEU HB3 1 1 7 3417 1 1 20 LEU HD11 H 12.780 -0.402 -15.215 1.00 . A A . 19 LEU HD11 1 1 7 3418 1 1 20 LEU HD12 H 13.292 0.838 -16.407 1.00 . A A . 19 LEU HD12 1 1 7 3419 1 1 20 LEU HD13 H 11.721 -0.014 -16.590 1.00 . A A . 19 LEU HD13 1 1 7 3420 1 1 20 LEU HD21 H 12.319 2.751 -13.292 1.00 . A A . 19 LEU HD21 1 1 7 3421 1 1 20 LEU HD22 H 13.350 3.012 -14.728 1.00 . A A . 19 LEU HD22 1 1 7 3422 1 1 20 LEU HD23 H 13.552 1.544 -13.754 1.00 . A A . 19 LEU HD23 1 1 7 3423 1 1 20 LEU HG H 11.079 0.946 -14.322 1.00 . A A . 19 LEU HG 1 1 7 3424 1 1 20 LEU N N 8.647 1.623 -15.417 1.00 . A A . 19 LEU N 1 1 7 3425 1 1 20 LEU O O 9.651 4.942 -16.100 1.00 . A A . 19 LEU O 1 1 7 3426 1 1 21 LYS C C 5.519 5.201 -16.502 1.00 . A A . 20 LYS C 1 1 7 3427 1 1 21 LYS CA C 7.013 5.308 -16.494 1.00 . A A . 20 LYS CA 1 1 7 3428 1 1 21 LYS CB C 7.456 5.535 -17.962 1.00 . A A . 20 LYS CB 1 1 7 3429 1 1 21 LYS CD C 7.957 4.397 -20.198 1.00 . A A . 20 LYS CD 1 1 7 3430 1 1 21 LYS CE C 7.272 5.492 -21.056 1.00 . A A . 20 LYS CE 1 1 7 3431 1 1 21 LYS CG C 7.309 4.242 -18.800 1.00 . A A . 20 LYS CG 1 1 7 3432 1 1 21 LYS H H 6.972 3.404 -15.584 1.00 . A A . 20 LYS H 1 1 7 3433 1 1 21 LYS HA H 7.259 6.158 -15.844 1.00 . A A . 20 LYS HA 1 1 7 3434 1 1 21 LYS HB2 H 6.834 6.328 -18.398 1.00 . A A . 20 LYS HB2 1 1 7 3435 1 1 21 LYS HB3 H 8.501 5.866 -18.007 1.00 . A A . 20 LYS HB3 1 1 7 3436 1 1 21 LYS HD2 H 9.029 4.627 -20.092 1.00 . A A . 20 LYS HD2 1 1 7 3437 1 1 21 LYS HD3 H 7.859 3.422 -20.701 1.00 . A A . 20 LYS HD3 1 1 7 3438 1 1 21 LYS HE2 H 6.189 5.288 -21.071 1.00 . A A . 20 LYS HE2 1 1 7 3439 1 1 21 LYS HE3 H 7.433 6.491 -20.620 1.00 . A A . 20 LYS HE3 1 1 7 3440 1 1 21 LYS HG2 H 7.827 3.412 -18.296 1.00 . A A . 20 LYS HG2 1 1 7 3441 1 1 21 LYS HG3 H 6.245 3.975 -18.903 1.00 . A A . 20 LYS HG3 1 1 7 3442 1 1 21 LYS HZ1 H 8.136 4.554 -22.791 1.00 . A A . 20 LYS HZ1 1 1 7 3443 1 1 21 LYS HZ2 H 8.630 6.203 -22.522 1.00 . A A . 20 LYS HZ2 1 1 7 3444 1 1 21 LYS HZ3 H 7.031 5.861 -23.119 1.00 . A A . 20 LYS HZ3 1 1 7 3445 1 1 21 LYS N N 7.590 4.116 -15.895 1.00 . A A . 20 LYS N 1 1 7 3446 1 1 21 LYS NZ N 7.797 5.516 -22.439 1.00 . A A . 20 LYS NZ 1 1 7 3447 1 1 21 LYS O O 5.005 4.114 -16.306 1.00 . A A . 20 LYS O 1 1 7 3448 1 1 22 CYS C C 2.760 5.988 -17.954 1.00 . A A . 21 CYS C 1 1 7 3449 1 1 22 CYS CA C 3.376 6.300 -16.619 1.00 . A A . 21 CYS CA 1 1 7 3450 1 1 22 CYS CB C 2.927 7.671 -16.098 1.00 . A A . 21 CYS CB 1 1 7 3451 1 1 22 CYS H H 5.259 7.217 -16.874 1.00 . A A . 21 CYS H 1 1 7 3452 1 1 22 CYS HA H 3.045 5.557 -15.881 1.00 . A A . 21 CYS HA 1 1 7 3453 1 1 22 CYS HB2 H 3.457 7.911 -15.165 1.00 . A A . 21 CYS HB2 1 1 7 3454 1 1 22 CYS HB3 H 3.086 8.469 -16.839 1.00 . A A . 21 CYS HB3 1 1 7 3455 1 1 22 CYS N N 4.820 6.330 -16.702 1.00 . A A . 21 CYS N 1 1 7 3456 1 1 22 CYS O O 3.117 6.621 -18.933 1.00 . A A . 21 CYS O 1 1 7 3457 1 1 22 CYS SG S 1.179 7.460 -15.739 1.00 . A A . 21 CYS SG 1 1 7 3458 1 1 23 PHE C C 0.084 5.620 -19.625 1.00 . A A . 22 PHE C 1 1 7 3459 1 1 23 PHE CA C 1.204 4.661 -19.276 1.00 . A A . 22 PHE CA 1 1 7 3460 1 1 23 PHE CB C 0.683 3.206 -19.133 1.00 . A A . 22 PHE CB 1 1 7 3461 1 1 23 PHE CD1 C 1.815 2.269 -21.193 1.00 . A A . 22 PHE CD1 1 1 7 3462 1 1 23 PHE CD2 C -0.570 1.958 -20.967 1.00 . A A . 22 PHE CD2 1 1 7 3463 1 1 23 PHE CE1 C 1.791 1.602 -22.419 1.00 . A A . 22 PHE CE1 1 1 7 3464 1 1 23 PHE CE2 C -0.590 1.263 -22.179 1.00 . A A . 22 PHE CE2 1 1 7 3465 1 1 23 PHE CG C 0.634 2.463 -20.470 1.00 . A A . 22 PHE CG 1 1 7 3466 1 1 23 PHE CZ C 0.588 1.091 -22.908 1.00 . A A . 22 PHE CZ 1 1 7 3467 1 1 23 PHE H H 1.514 4.550 -17.176 1.00 . A A . 22 PHE H 1 1 7 3468 1 1 23 PHE HA H 1.961 4.720 -20.070 1.00 . A A . 22 PHE HA 1 1 7 3469 1 1 23 PHE HB2 H 1.376 2.614 -18.513 1.00 . A A . 22 PHE HB2 1 1 7 3470 1 1 23 PHE HB3 H -0.296 3.220 -18.629 1.00 . A A . 22 PHE HB3 1 1 7 3471 1 1 23 PHE HD1 H 2.761 2.631 -20.811 1.00 . A A . 22 PHE HD1 1 1 7 3472 1 1 23 PHE HD2 H -1.495 2.096 -20.418 1.00 . A A . 22 PHE HD2 1 1 7 3473 1 1 23 PHE HE1 H 2.706 1.482 -22.988 1.00 . A A . 22 PHE HE1 1 1 7 3474 1 1 23 PHE HE2 H -1.523 0.856 -22.553 1.00 . A A . 22 PHE HE2 1 1 7 3475 1 1 23 PHE HZ H 0.569 0.561 -23.854 1.00 . A A . 22 PHE HZ 1 1 7 3476 1 1 23 PHE N N 1.829 5.012 -18.007 1.00 . A A . 22 PHE N 1 1 7 3477 1 1 23 PHE O O -0.349 5.630 -20.765 1.00 . A A . 22 PHE O 1 1 7 3478 1 1 24 ARG C C -0.976 8.584 -19.639 1.00 . A A . 23 ARG C 1 1 7 3479 1 1 24 ARG CA C -1.483 7.362 -18.911 1.00 . A A . 23 ARG CA 1 1 7 3480 1 1 24 ARG CB C -2.124 7.824 -17.570 1.00 . A A . 23 ARG CB 1 1 7 3481 1 1 24 ARG CD C -4.095 9.152 -16.563 1.00 . A A . 23 ARG CD 1 1 7 3482 1 1 24 ARG CG C -3.598 8.259 -17.742 1.00 . A A . 23 ARG CG 1 1 7 3483 1 1 24 ARG CZ C -5.881 9.266 -14.886 1.00 . A A . 23 ARG CZ 1 1 7 3484 1 1 24 ARG H H -0.030 6.395 -17.736 1.00 . A A . 23 ARG H 1 1 7 3485 1 1 24 ARG HA H -2.252 6.848 -19.510 1.00 . A A . 23 ARG HA 1 1 7 3486 1 1 24 ARG HB2 H -2.105 6.996 -16.862 1.00 . A A . 23 ARG HB2 1 1 7 3487 1 1 24 ARG HB3 H -1.552 8.635 -17.109 1.00 . A A . 23 ARG HB3 1 1 7 3488 1 1 24 ARG HD2 H -3.289 9.323 -15.840 1.00 . A A . 23 ARG HD2 1 1 7 3489 1 1 24 ARG HD3 H -4.368 10.109 -17.026 1.00 . A A . 23 ARG HD3 1 1 7 3490 1 1 24 ARG HE H -5.358 7.578 -15.875 1.00 . A A . 23 ARG HE 1 1 7 3491 1 1 24 ARG HG2 H -3.666 8.839 -18.676 1.00 . A A . 23 ARG HG2 1 1 7 3492 1 1 24 ARG HG3 H -4.213 7.355 -17.868 1.00 . A A . 23 ARG HG3 1 1 7 3493 1 1 24 ARG HH11 H -5.105 11.123 -15.227 1.00 . A A . 23 ARG HH11 1 1 7 3494 1 1 24 ARG HH12 H -6.311 11.038 -13.967 1.00 . A A . 23 ARG HH12 1 1 7 3495 1 1 24 ARG HH21 H -6.940 7.621 -14.290 1.00 . A A . 23 ARG HH21 1 1 7 3496 1 1 24 ARG HH22 H -7.346 9.123 -13.470 1.00 . A A . 23 ARG HH22 1 1 7 3497 1 1 24 ARG N N -0.397 6.426 -18.655 1.00 . A A . 23 ARG N 1 1 7 3498 1 1 24 ARG NE N -5.175 8.581 -15.759 1.00 . A A . 23 ARG NE 1 1 7 3499 1 1 24 ARG NH1 N -5.751 10.552 -14.680 1.00 . A A . 23 ARG NH1 1 1 7 3500 1 1 24 ARG NH2 N -6.777 8.631 -14.173 1.00 . A A . 23 ARG NH2 1 1 7 3501 1 1 24 ARG O O -1.398 8.829 -20.757 1.00 . A A . 23 ARG O 1 1 7 3502 1 1 25 CYS C C 1.626 10.224 -20.469 1.00 . A A . 24 CYS C 1 1 7 3503 1 1 25 CYS CA C 0.418 10.581 -19.637 1.00 . A A . 24 CYS CA 1 1 7 3504 1 1 25 CYS CB C 0.704 11.687 -18.584 1.00 . A A . 24 CYS CB 1 1 7 3505 1 1 25 CYS H H 0.325 9.109 -18.132 1.00 . A A . 24 CYS H 1 1 7 3506 1 1 25 CYS HA H -0.345 11.007 -20.307 1.00 . A A . 24 CYS HA 1 1 7 3507 1 1 25 CYS HB2 H 1.173 12.560 -19.064 1.00 . A A . 24 CYS HB2 1 1 7 3508 1 1 25 CYS HB3 H -0.243 12.006 -18.121 1.00 . A A . 24 CYS HB3 1 1 7 3509 1 1 25 CYS N N -0.078 9.369 -19.006 1.00 . A A . 24 CYS N 1 1 7 3510 1 1 25 CYS O O 1.971 11.010 -21.337 1.00 . A A . 24 CYS O 1 1 7 3511 1 1 25 CYS SG S 1.780 11.133 -17.229 1.00 . A A . 24 CYS SG 1 1 7 3512 1 1 26 GLY C C 4.715 9.230 -20.326 1.00 . A A . 25 GLY C 1 1 7 3513 1 1 26 GLY CA C 3.469 8.730 -21.014 1.00 . A A . 25 GLY CA 1 1 7 3514 1 1 26 GLY H H 2.049 8.409 -19.518 1.00 . A A . 25 GLY H 1 1 7 3515 1 1 26 GLY HA2 H 3.540 7.638 -21.138 1.00 . A A . 25 GLY HA2 1 1 7 3516 1 1 26 GLY HA3 H 3.417 9.161 -22.025 1.00 . A A . 25 GLY HA3 1 1 7 3517 1 1 26 GLY N N 2.283 9.060 -20.241 1.00 . A A . 25 GLY N 1 1 7 3518 1 1 26 GLY O O 5.794 8.865 -20.766 1.00 . A A . 25 GLY O 1 1 7 3519 1 1 27 ALA C C 6.434 9.729 -17.705 1.00 . A A . 26 ALA C 1 1 7 3520 1 1 27 ALA CA C 5.796 10.672 -18.691 1.00 . A A . 26 ALA CA 1 1 7 3521 1 1 27 ALA CB C 5.463 12.011 -17.989 1.00 . A A . 26 ALA CB 1 1 7 3522 1 1 27 ALA H H 3.735 10.309 -18.856 1.00 . A A . 26 ALA H 1 1 7 3523 1 1 27 ALA HA H 6.500 10.899 -19.507 1.00 . A A . 26 ALA HA 1 1 7 3524 1 1 27 ALA HB1 H 4.689 12.559 -18.550 1.00 . A A . 26 ALA HB1 1 1 7 3525 1 1 27 ALA HB2 H 5.100 11.830 -16.965 1.00 . A A . 26 ALA HB2 1 1 7 3526 1 1 27 ALA HB3 H 6.369 12.635 -17.943 1.00 . A A . 26 ALA HB3 1 1 7 3527 1 1 27 ALA N N 4.606 10.069 -19.270 1.00 . A A . 26 ALA N 1 1 7 3528 1 1 27 ALA O O 5.765 8.837 -17.207 1.00 . A A . 26 ALA O 1 1 7 3529 1 1 28 ASP C C 7.901 9.181 -15.099 1.00 . A A . 27 ASP C 1 1 7 3530 1 1 28 ASP CA C 8.412 8.995 -16.510 1.00 . A A . 27 ASP CA 1 1 7 3531 1 1 28 ASP CB C 9.951 9.139 -16.588 1.00 . A A . 27 ASP CB 1 1 7 3532 1 1 28 ASP CG C 10.629 7.849 -16.213 1.00 . A A . 27 ASP CG 1 1 7 3533 1 1 28 ASP H H 8.257 10.663 -17.826 1.00 . A A . 27 ASP H 1 1 7 3534 1 1 28 ASP HA H 8.178 7.985 -16.860 1.00 . A A . 27 ASP HA 1 1 7 3535 1 1 28 ASP HB2 H 10.256 9.376 -17.617 1.00 . A A . 27 ASP HB2 1 1 7 3536 1 1 28 ASP HB3 H 10.276 9.951 -15.921 1.00 . A A . 27 ASP HB3 1 1 7 3537 1 1 28 ASP N N 7.740 9.912 -17.419 1.00 . A A . 27 ASP N 1 1 7 3538 1 1 28 ASP O O 7.120 10.087 -14.860 1.00 . A A . 27 ASP O 1 1 7 3539 1 1 28 ASP OD1 O 10.665 7.546 -14.986 1.00 . A A . 27 ASP OD1 1 1 7 3540 1 1 28 ASP OD2 O 11.112 7.136 -17.134 1.00 . A A . 27 ASP OD2 1 1 7 3541 1 1 29 LYS C C 8.183 9.797 -12.211 1.00 . A A . 28 LYS C 1 1 7 3542 1 1 29 LYS CA C 7.834 8.442 -12.771 1.00 . A A . 28 LYS CA 1 1 7 3543 1 1 29 LYS CB C 8.503 7.395 -11.842 1.00 . A A . 28 LYS CB 1 1 7 3544 1 1 29 LYS CD C 9.320 4.952 -11.828 1.00 . A A . 28 LYS CD 1 1 7 3545 1 1 29 LYS CE C 9.204 4.459 -10.367 1.00 . A A . 28 LYS CE 1 1 7 3546 1 1 29 LYS CG C 8.230 5.945 -12.301 1.00 . A A . 28 LYS CG 1 1 7 3547 1 1 29 LYS H H 9.053 7.677 -14.344 1.00 . A A . 28 LYS H 1 1 7 3548 1 1 29 LYS HA H 6.742 8.291 -12.765 1.00 . A A . 28 LYS HA 1 1 7 3549 1 1 29 LYS HB2 H 9.589 7.561 -11.830 1.00 . A A . 28 LYS HB2 1 1 7 3550 1 1 29 LYS HB3 H 8.124 7.526 -10.817 1.00 . A A . 28 LYS HB3 1 1 7 3551 1 1 29 LYS HD2 H 9.129 4.053 -12.414 1.00 . A A . 28 LYS HD2 1 1 7 3552 1 1 29 LYS HD3 H 10.337 5.308 -12.067 1.00 . A A . 28 LYS HD3 1 1 7 3553 1 1 29 LYS HE2 H 8.157 4.498 -10.045 1.00 . A A . 28 LYS HE2 1 1 7 3554 1 1 29 LYS HE3 H 9.532 3.406 -10.332 1.00 . A A . 28 LYS HE3 1 1 7 3555 1 1 29 LYS HG2 H 7.246 5.655 -11.930 1.00 . A A . 28 LYS HG2 1 1 7 3556 1 1 29 LYS HG3 H 8.185 5.858 -13.395 1.00 . A A . 28 LYS HG3 1 1 7 3557 1 1 29 LYS HZ1 H 9.955 4.753 -8.443 1.00 . A A . 28 LYS HZ1 1 1 7 3558 1 1 29 LYS HZ2 H 9.701 6.238 -9.336 1.00 . A A . 28 LYS HZ2 1 1 7 3559 1 1 29 LYS HZ3 H 11.076 5.202 -9.710 1.00 . A A . 28 LYS HZ3 1 1 7 3560 1 1 29 LYS N N 8.341 8.347 -14.136 1.00 . A A . 28 LYS N 1 1 7 3561 1 1 29 LYS NZ N 10.036 5.216 -9.416 1.00 . A A . 28 LYS NZ 1 1 7 3562 1 1 29 LYS O O 7.300 10.485 -11.728 1.00 . A A . 28 LYS O 1 1 7 3563 1 1 30 PHE C C 10.080 12.435 -12.903 1.00 . A A . 29 PHE C 1 1 7 3564 1 1 30 PHE CA C 9.918 11.467 -11.751 1.00 . A A . 29 PHE CA 1 1 7 3565 1 1 30 PHE CB C 11.240 11.279 -10.948 1.00 . A A . 29 PHE CB 1 1 7 3566 1 1 30 PHE CD1 C 11.215 13.118 -9.198 1.00 . A A . 29 PHE CD1 1 1 7 3567 1 1 30 PHE CD2 C 10.824 10.848 -8.473 1.00 . A A . 29 PHE CD2 1 1 7 3568 1 1 30 PHE CE1 C 11.111 13.558 -7.876 1.00 . A A . 29 PHE CE1 1 1 7 3569 1 1 30 PHE CE2 C 10.724 11.287 -7.151 1.00 . A A . 29 PHE CE2 1 1 7 3570 1 1 30 PHE CG C 11.086 11.760 -9.500 1.00 . A A . 29 PHE CG 1 1 7 3571 1 1 30 PHE CZ C 10.869 12.642 -6.851 1.00 . A A . 29 PHE CZ 1 1 7 3572 1 1 30 PHE H H 10.155 9.620 -12.767 1.00 . A A . 29 PHE H 1 1 7 3573 1 1 30 PHE HA H 9.166 11.891 -11.069 1.00 . A A . 29 PHE HA 1 1 7 3574 1 1 30 PHE HB2 H 11.526 10.216 -10.922 1.00 . A A . 29 PHE HB2 1 1 7 3575 1 1 30 PHE HB3 H 12.079 11.819 -11.410 1.00 . A A . 29 PHE HB3 1 1 7 3576 1 1 30 PHE HD1 H 11.397 13.837 -9.989 1.00 . A A . 29 PHE HD1 1 1 7 3577 1 1 30 PHE HD2 H 10.696 9.794 -8.693 1.00 . A A . 29 PHE HD2 1 1 7 3578 1 1 30 PHE HE1 H 11.218 14.613 -7.646 1.00 . A A . 29 PHE HE1 1 1 7 3579 1 1 30 PHE HE2 H 10.533 10.573 -6.356 1.00 . A A . 29 PHE HE2 1 1 7 3580 1 1 30 PHE HZ H 10.794 12.982 -5.823 1.00 . A A . 29 PHE HZ 1 1 7 3581 1 1 30 PHE N N 9.480 10.178 -12.281 1.00 . A A . 29 PHE N 1 1 7 3582 1 1 30 PHE O O 10.824 13.395 -12.790 1.00 . A A . 29 PHE O 1 1 7 3583 1 1 31 ASP C C 10.959 13.167 -15.657 1.00 . A A . 30 ASP C 1 1 7 3584 1 1 31 ASP CA C 9.520 13.075 -15.190 1.00 . A A . 30 ASP CA 1 1 7 3585 1 1 31 ASP CB C 8.785 14.418 -14.933 1.00 . A A . 30 ASP CB 1 1 7 3586 1 1 31 ASP CG C 7.799 14.717 -16.028 1.00 . A A . 30 ASP CG 1 1 7 3587 1 1 31 ASP H H 8.709 11.468 -14.113 1.00 . A A . 30 ASP H 1 1 7 3588 1 1 31 ASP HA H 8.987 12.580 -16.020 1.00 . A A . 30 ASP HA 1 1 7 3589 1 1 31 ASP HB2 H 8.234 14.347 -13.982 1.00 . A A . 30 ASP HB2 1 1 7 3590 1 1 31 ASP HB3 H 9.469 15.274 -14.864 1.00 . A A . 30 ASP HB3 1 1 7 3591 1 1 31 ASP N N 9.381 12.202 -14.034 1.00 . A A . 30 ASP N 1 1 7 3592 1 1 31 ASP O O 11.327 12.406 -16.537 1.00 . A A . 30 ASP O 1 1 7 3593 1 1 31 ASP OD1 O 6.633 14.253 -15.922 1.00 . A A . 30 ASP OD1 1 1 7 3594 1 1 31 ASP OD2 O 8.183 15.425 -16.996 1.00 . A A . 30 ASP OD2 1 1 7 3595 1 1 32 NH2 HN1 H 11.581 14.626 -14.345 1.00 . A A . 31 NH2 HN1 1 1 7 3596 1 1 32 NH2 HN2 H 12.750 14.110 -15.507 1.00 . A A . 31 NH2 HN2 1 1 7 3597 1 1 32 NH2 N N 11.827 14.052 -15.126 1.00 . A A . 31 NH2 N 1 1 7 3598 2 2 1 ZN ZN ZN 1.189 9.823 -15.341 1.00 . B A . 32 ZN ZN 1 1 8 3599 1 1 1 ACE C C -2.036 -4.286 -1.588 1.00 . A A . 0 ACE C 1 1 8 3600 1 1 1 ACE CH3 C -3.282 -3.985 -0.801 1.00 . A A . 0 ACE CH3 1 1 8 3601 1 1 1 ACE H1 H -4.137 -3.901 -1.489 1.00 . A A . 0 ACE H1 1 1 8 3602 1 1 1 ACE H2 H -3.160 -3.037 -0.257 1.00 . A A . 0 ACE H2 1 1 8 3603 1 1 1 ACE H3 H -3.484 -4.791 -0.079 1.00 . A A . 0 ACE H3 1 1 8 3604 1 1 1 ACE O O -1.421 -5.316 -1.360 1.00 . A A . 0 ACE O 1 1 8 3605 1 1 2 LYS C C 0.659 -2.842 -2.809 1.00 . A A . 1 LYS C 1 1 8 3606 1 1 2 LYS CA C -0.502 -3.640 -3.369 1.00 . A A . 1 LYS CA 1 1 8 3607 1 1 2 LYS CB C -0.850 -3.298 -4.845 1.00 . A A . 1 LYS CB 1 1 8 3608 1 1 2 LYS CD C 1.276 -4.562 -5.702 1.00 . A A . 1 LYS CD 1 1 8 3609 1 1 2 LYS CE C 1.623 -5.938 -5.050 1.00 . A A . 1 LYS CE 1 1 8 3610 1 1 2 LYS CG C -0.244 -4.283 -5.889 1.00 . A A . 1 LYS CG 1 1 8 3611 1 1 2 LYS H H -2.161 -2.529 -2.650 1.00 . A A . 1 LYS H 1 1 8 3612 1 1 2 LYS HA H -0.261 -4.711 -3.355 1.00 . A A . 1 LYS HA 1 1 8 3613 1 1 2 LYS HB2 H -1.942 -3.358 -4.975 1.00 . A A . 1 LYS HB2 1 1 8 3614 1 1 2 LYS HB3 H -0.559 -2.264 -5.082 1.00 . A A . 1 LYS HB3 1 1 8 3615 1 1 2 LYS HD2 H 1.770 -4.501 -6.685 1.00 . A A . 1 LYS HD2 1 1 8 3616 1 1 2 LYS HD3 H 1.681 -3.751 -5.102 1.00 . A A . 1 LYS HD3 1 1 8 3617 1 1 2 LYS HE2 H 0.712 -6.462 -4.726 1.00 . A A . 1 LYS HE2 1 1 8 3618 1 1 2 LYS HE3 H 2.085 -6.566 -5.829 1.00 . A A . 1 LYS HE3 1 1 8 3619 1 1 2 LYS HG2 H -0.820 -5.221 -5.884 1.00 . A A . 1 LYS HG2 1 1 8 3620 1 1 2 LYS HG3 H -0.398 -3.822 -6.879 1.00 . A A . 1 LYS HG3 1 1 8 3621 1 1 2 LYS HZ1 H 2.131 -6.401 -3.018 1.00 . A A . 1 LYS HZ1 1 1 8 3622 1 1 2 LYS HZ2 H 2.791 -4.912 -3.537 1.00 . A A . 1 LYS HZ2 1 1 8 3623 1 1 2 LYS HZ3 H 3.477 -6.394 -4.082 1.00 . A A . 1 LYS HZ3 1 1 8 3624 1 1 2 LYS N N -1.663 -3.388 -2.525 1.00 . A A . 1 LYS N 1 1 8 3625 1 1 2 LYS NZ N 2.538 -5.896 -3.882 1.00 . A A . 1 LYS NZ 1 1 8 3626 1 1 2 LYS O O 0.817 -1.681 -3.144 1.00 . A A . 1 LYS O 1 1 8 3627 1 1 3 PHE C C 3.850 -2.849 -2.444 1.00 . A A . 2 PHE C 1 1 8 3628 1 1 3 PHE CA C 2.697 -2.728 -1.469 1.00 . A A . 2 PHE CA 1 1 8 3629 1 1 3 PHE CB C 3.093 -3.313 -0.087 1.00 . A A . 2 PHE CB 1 1 8 3630 1 1 3 PHE CD1 C 1.250 -2.077 1.162 1.00 . A A . 2 PHE CD1 1 1 8 3631 1 1 3 PHE CD2 C 1.508 -4.439 1.565 1.00 . A A . 2 PHE CD2 1 1 8 3632 1 1 3 PHE CE1 C 0.172 -2.040 2.048 1.00 . A A . 2 PHE CE1 1 1 8 3633 1 1 3 PHE CE2 C 0.449 -4.399 2.475 1.00 . A A . 2 PHE CE2 1 1 8 3634 1 1 3 PHE CG C 1.920 -3.277 0.903 1.00 . A A . 2 PHE CG 1 1 8 3635 1 1 3 PHE CZ C -0.222 -3.200 2.716 1.00 . A A . 2 PHE CZ 1 1 8 3636 1 1 3 PHE H H 1.323 -4.360 -1.603 1.00 . A A . 2 PHE H 1 1 8 3637 1 1 3 PHE HA H 2.505 -1.651 -1.362 1.00 . A A . 2 PHE HA 1 1 8 3638 1 1 3 PHE HB2 H 3.423 -4.354 -0.232 1.00 . A A . 2 PHE HB2 1 1 8 3639 1 1 3 PHE HB3 H 3.930 -2.742 0.343 1.00 . A A . 2 PHE HB3 1 1 8 3640 1 1 3 PHE HD1 H 1.557 -1.154 0.684 1.00 . A A . 2 PHE HD1 1 1 8 3641 1 1 3 PHE HD2 H 2.007 -5.385 1.385 1.00 . A A . 2 PHE HD2 1 1 8 3642 1 1 3 PHE HE1 H -0.355 -1.108 2.219 1.00 . A A . 2 PHE HE1 1 1 8 3643 1 1 3 PHE HE2 H 0.147 -5.300 2.997 1.00 . A A . 2 PHE HE2 1 1 8 3644 1 1 3 PHE HZ H -1.046 -3.167 3.421 1.00 . A A . 2 PHE HZ 1 1 8 3645 1 1 3 PHE N N 1.504 -3.435 -1.941 1.00 . A A . 2 PHE N 1 1 8 3646 1 1 3 PHE O O 4.906 -3.313 -2.049 1.00 . A A . 2 PHE O 1 1 8 3647 1 1 4 GLU C C 4.419 -1.800 -5.925 1.00 . A A . 3 GLU C 1 1 8 3648 1 1 4 GLU CA C 4.770 -2.608 -4.696 1.00 . A A . 3 GLU CA 1 1 8 3649 1 1 4 GLU CB C 5.033 -4.102 -5.039 1.00 . A A . 3 GLU CB 1 1 8 3650 1 1 4 GLU CD C 7.061 -5.539 -5.569 1.00 . A A . 3 GLU CD 1 1 8 3651 1 1 4 GLU CG C 6.258 -4.332 -5.955 1.00 . A A . 3 GLU CG 1 1 8 3652 1 1 4 GLU H H 2.828 -2.019 -4.038 1.00 . A A . 3 GLU H 1 1 8 3653 1 1 4 GLU HA H 5.687 -2.184 -4.258 1.00 . A A . 3 GLU HA 1 1 8 3654 1 1 4 GLU HB2 H 5.228 -4.650 -4.107 1.00 . A A . 3 GLU HB2 1 1 8 3655 1 1 4 GLU HB3 H 4.151 -4.533 -5.535 1.00 . A A . 3 GLU HB3 1 1 8 3656 1 1 4 GLU HG2 H 5.929 -4.453 -6.999 1.00 . A A . 3 GLU HG2 1 1 8 3657 1 1 4 GLU HG3 H 6.950 -3.487 -5.857 1.00 . A A . 3 GLU HG3 1 1 8 3658 1 1 4 GLU N N 3.684 -2.450 -3.726 1.00 . A A . 3 GLU N 1 1 8 3659 1 1 4 GLU O O 4.242 -2.348 -7.002 1.00 . A A . 3 GLU O 1 1 8 3660 1 1 4 GLU OE1 O 6.728 -6.658 -6.042 1.00 . A A . 3 GLU OE1 1 1 8 3661 1 1 4 GLU OE2 O 8.039 -5.365 -4.793 1.00 . A A . 3 GLU OE2 1 1 8 3662 1 1 5 ASP C C 4.368 1.774 -6.601 1.00 . A A . 4 ASP C 1 1 8 3663 1 1 5 ASP CA C 3.870 0.377 -6.870 1.00 . A A . 4 ASP CA 1 1 8 3664 1 1 5 ASP CB C 2.326 0.396 -6.966 1.00 . A A . 4 ASP CB 1 1 8 3665 1 1 5 ASP CG C 1.719 -0.968 -6.836 1.00 . A A . 4 ASP CG 1 1 8 3666 1 1 5 ASP H H 4.419 -0.033 -4.865 1.00 . A A . 4 ASP H 1 1 8 3667 1 1 5 ASP HA H 4.300 0.027 -7.818 1.00 . A A . 4 ASP HA 1 1 8 3668 1 1 5 ASP HB2 H 1.954 0.998 -6.126 1.00 . A A . 4 ASP HB2 1 1 8 3669 1 1 5 ASP HB3 H 1.987 0.845 -7.910 1.00 . A A . 4 ASP HB3 1 1 8 3670 1 1 5 ASP N N 4.295 -0.466 -5.760 1.00 . A A . 4 ASP N 1 1 8 3671 1 1 5 ASP O O 4.998 1.968 -5.574 1.00 . A A . 4 ASP O 1 1 8 3672 1 1 5 ASP OD1 O 1.738 -1.482 -5.688 1.00 . A A . 4 ASP OD1 1 1 8 3673 1 1 5 ASP OD2 O 1.215 -1.527 -7.849 1.00 . A A . 4 ASP OD2 1 1 8 3674 1 1 6 TRP C C 3.596 5.085 -7.904 1.00 . A A . 5 TRP C 1 1 8 3675 1 1 6 TRP CA C 4.540 4.121 -7.236 1.00 . A A . 5 TRP CA 1 1 8 3676 1 1 6 TRP CB C 5.956 4.332 -7.809 1.00 . A A . 5 TRP CB 1 1 8 3677 1 1 6 TRP CD1 C 6.266 2.656 -9.674 1.00 . A A . 5 TRP CD1 1 1 8 3678 1 1 6 TRP CD2 C 5.650 4.697 -10.464 1.00 . A A . 5 TRP CD2 1 1 8 3679 1 1 6 TRP CE2 C 5.890 3.810 -11.491 1.00 . A A . 5 TRP CE2 1 1 8 3680 1 1 6 TRP CE3 C 5.207 5.994 -10.706 1.00 . A A . 5 TRP CE3 1 1 8 3681 1 1 6 TRP CG C 5.970 3.887 -9.242 1.00 . A A . 5 TRP CG 1 1 8 3682 1 1 6 TRP CH2 C 5.363 5.488 -13.087 1.00 . A A . 5 TRP CH2 1 1 8 3683 1 1 6 TRP CZ2 C 5.780 4.182 -12.822 1.00 . A A . 5 TRP CZ2 1 1 8 3684 1 1 6 TRP CZ3 C 5.003 6.341 -12.041 1.00 . A A . 5 TRP CZ3 1 1 8 3685 1 1 6 TRP H H 3.624 2.565 -8.355 1.00 . A A . 5 TRP H 1 1 8 3686 1 1 6 TRP HA H 4.543 4.335 -6.156 1.00 . A A . 5 TRP HA 1 1 8 3687 1 1 6 TRP HB2 H 6.269 5.385 -7.746 1.00 . A A . 5 TRP HB2 1 1 8 3688 1 1 6 TRP HB3 H 6.665 3.717 -7.233 1.00 . A A . 5 TRP HB3 1 1 8 3689 1 1 6 TRP HD1 H 6.483 1.875 -8.966 1.00 . A A . 5 TRP HD1 1 1 8 3690 1 1 6 TRP HE1 H 6.398 1.776 -11.547 1.00 . A A . 5 TRP HE1 1 1 8 3691 1 1 6 TRP HE3 H 5.042 6.673 -9.889 1.00 . A A . 5 TRP HE3 1 1 8 3692 1 1 6 TRP HH2 H 5.340 5.853 -14.098 1.00 . A A . 5 TRP HH2 1 1 8 3693 1 1 6 TRP HZ2 H 6.013 3.507 -13.617 1.00 . A A . 5 TRP HZ2 1 1 8 3694 1 1 6 TRP HZ3 H 4.569 7.282 -12.315 1.00 . A A . 5 TRP HZ3 1 1 8 3695 1 1 6 TRP N N 4.103 2.753 -7.492 1.00 . A A . 5 TRP N 1 1 8 3696 1 1 6 TRP NE1 N 6.223 2.612 -10.977 1.00 . A A . 5 TRP NE1 1 1 8 3697 1 1 6 TRP O O 2.870 4.651 -8.783 1.00 . A A . 5 TRP O 1 1 8 3698 1 1 7 LEU C C 3.325 8.282 -8.991 1.00 . A A . 6 LEU C 1 1 8 3699 1 1 7 LEU CA C 2.650 7.344 -8.023 1.00 . A A . 6 LEU CA 1 1 8 3700 1 1 7 LEU CB C 2.087 8.232 -6.890 1.00 . A A . 6 LEU CB 1 1 8 3701 1 1 7 LEU CD1 C 2.112 7.557 -4.416 1.00 . A A . 6 LEU CD1 1 1 8 3702 1 1 7 LEU CD2 C -0.101 7.797 -5.653 1.00 . A A . 6 LEU CD2 1 1 8 3703 1 1 7 LEU CG C 1.389 7.392 -5.780 1.00 . A A . 6 LEU CG 1 1 8 3704 1 1 7 LEU H H 4.258 6.698 -6.808 1.00 . A A . 6 LEU H 1 1 8 3705 1 1 7 LEU HA H 1.799 6.839 -8.495 1.00 . A A . 6 LEU HA 1 1 8 3706 1 1 7 LEU HB2 H 2.919 8.820 -6.476 1.00 . A A . 6 LEU HB2 1 1 8 3707 1 1 7 LEU HB3 H 1.379 8.941 -7.350 1.00 . A A . 6 LEU HB3 1 1 8 3708 1 1 7 LEU HD11 H 3.063 7.002 -4.432 1.00 . A A . 6 LEU HD11 1 1 8 3709 1 1 7 LEU HD12 H 1.491 7.159 -3.601 1.00 . A A . 6 LEU HD12 1 1 8 3710 1 1 7 LEU HD13 H 2.321 8.616 -4.200 1.00 . A A . 6 LEU HD13 1 1 8 3711 1 1 7 LEU HD21 H -0.182 8.838 -5.305 1.00 . A A . 6 LEU HD21 1 1 8 3712 1 1 7 LEU HD22 H -0.612 7.138 -4.934 1.00 . A A . 6 LEU HD22 1 1 8 3713 1 1 7 LEU HD23 H -0.605 7.698 -6.627 1.00 . A A . 6 LEU HD23 1 1 8 3714 1 1 7 LEU HG H 1.402 6.322 -6.042 1.00 . A A . 6 LEU HG 1 1 8 3715 1 1 7 LEU N N 3.601 6.374 -7.489 1.00 . A A . 6 LEU N 1 1 8 3716 1 1 7 LEU O O 4.422 8.727 -8.695 1.00 . A A . 6 LEU O 1 1 8 3717 1 1 8 CYS C C 3.433 10.878 -10.626 1.00 . A A . 7 CYS C 1 1 8 3718 1 1 8 CYS CA C 3.366 9.458 -11.113 1.00 . A A . 7 CYS CA 1 1 8 3719 1 1 8 CYS CB C 2.609 9.369 -12.466 1.00 . A A . 7 CYS CB 1 1 8 3720 1 1 8 CYS H H 1.793 8.225 -10.363 1.00 . A A . 7 CYS H 1 1 8 3721 1 1 8 CYS HA H 4.411 9.147 -11.216 1.00 . A A . 7 CYS HA 1 1 8 3722 1 1 8 CYS HB2 H 2.511 8.322 -12.791 1.00 . A A . 7 CYS HB2 1 1 8 3723 1 1 8 CYS HB3 H 1.607 9.770 -12.310 1.00 . A A . 7 CYS HB3 1 1 8 3724 1 1 8 CYS N N 2.702 8.588 -10.147 1.00 . A A . 7 CYS N 1 1 8 3725 1 1 8 CYS O O 2.575 11.282 -9.859 1.00 . A A . 7 CYS O 1 1 8 3726 1 1 8 CYS SG S 3.287 10.374 -13.826 1.00 . A A . 7 CYS SG 1 1 8 3727 1 1 9 ASN C C 3.980 13.958 -11.708 1.00 . A A . 8 ASN C 1 1 8 3728 1 1 9 ASN CA C 4.578 13.043 -10.663 1.00 . A A . 8 ASN CA 1 1 8 3729 1 1 9 ASN CB C 6.078 13.349 -10.408 1.00 . A A . 8 ASN CB 1 1 8 3730 1 1 9 ASN CG C 6.345 13.876 -9.023 1.00 . A A . 8 ASN CG 1 1 8 3731 1 1 9 ASN H H 5.086 11.298 -11.777 1.00 . A A . 8 ASN H 1 1 8 3732 1 1 9 ASN HA H 4.036 13.214 -9.720 1.00 . A A . 8 ASN HA 1 1 8 3733 1 1 9 ASN HB2 H 6.607 12.398 -10.471 1.00 . A A . 8 ASN HB2 1 1 8 3734 1 1 9 ASN HB3 H 6.509 14.019 -11.167 1.00 . A A . 8 ASN HB3 1 1 8 3735 1 1 9 ASN HD21 H 7.355 12.189 -8.373 1.00 . A A . 8 ASN HD21 1 1 8 3736 1 1 9 ASN HD22 H 7.194 13.465 -7.231 1.00 . A A . 8 ASN HD22 1 1 8 3737 1 1 9 ASN N N 4.444 11.649 -11.087 1.00 . A A . 8 ASN N 1 1 8 3738 1 1 9 ASN ND2 N 7.020 13.104 -8.144 1.00 . A A . 8 ASN ND2 1 1 8 3739 1 1 9 ASN O O 4.428 15.081 -11.873 1.00 . A A . 8 ASN O 1 1 8 3740 1 1 9 ASN OD1 O 5.946 14.989 -8.723 1.00 . A A . 8 ASN OD1 1 1 8 3741 1 1 10 LYS C C 0.832 14.041 -13.459 1.00 . A A . 9 LYS C 1 1 8 3742 1 1 10 LYS CA C 2.329 14.243 -13.497 1.00 . A A . 9 LYS CA 1 1 8 3743 1 1 10 LYS CB C 2.937 13.804 -14.855 1.00 . A A . 9 LYS CB 1 1 8 3744 1 1 10 LYS CD C 4.020 16.011 -15.583 1.00 . A A . 9 LYS CD 1 1 8 3745 1 1 10 LYS CE C 4.212 16.972 -16.780 1.00 . A A . 9 LYS CE 1 1 8 3746 1 1 10 LYS CG C 2.943 14.942 -15.903 1.00 . A A . 9 LYS CG 1 1 8 3747 1 1 10 LYS H H 2.630 12.551 -12.275 1.00 . A A . 9 LYS H 1 1 8 3748 1 1 10 LYS HA H 2.493 15.309 -13.305 1.00 . A A . 9 LYS HA 1 1 8 3749 1 1 10 LYS HB2 H 3.967 13.446 -14.706 1.00 . A A . 9 LYS HB2 1 1 8 3750 1 1 10 LYS HB3 H 2.351 12.967 -15.257 1.00 . A A . 9 LYS HB3 1 1 8 3751 1 1 10 LYS HD2 H 3.717 16.601 -14.708 1.00 . A A . 9 LYS HD2 1 1 8 3752 1 1 10 LYS HD3 H 4.981 15.528 -15.358 1.00 . A A . 9 LYS HD3 1 1 8 3753 1 1 10 LYS HE2 H 4.711 16.436 -17.605 1.00 . A A . 9 LYS HE2 1 1 8 3754 1 1 10 LYS HE3 H 3.225 17.310 -17.132 1.00 . A A . 9 LYS HE3 1 1 8 3755 1 1 10 LYS HG2 H 3.165 14.502 -16.887 1.00 . A A . 9 LYS HG2 1 1 8 3756 1 1 10 LYS HG3 H 1.945 15.409 -15.945 1.00 . A A . 9 LYS HG3 1 1 8 3757 1 1 10 LYS HZ1 H 4.639 18.635 -15.497 1.00 . A A . 9 LYS HZ1 1 1 8 3758 1 1 10 LYS HZ2 H 5.026 18.877 -17.182 1.00 . A A . 9 LYS HZ2 1 1 8 3759 1 1 10 LYS HZ3 H 6.031 17.811 -16.217 1.00 . A A . 9 LYS HZ3 1 1 8 3760 1 1 10 LYS N N 2.950 13.472 -12.430 1.00 . A A . 9 LYS N 1 1 8 3761 1 1 10 LYS NZ N 5.012 18.149 -16.386 1.00 . A A . 9 LYS NZ 1 1 8 3762 1 1 10 LYS O O 0.114 15.027 -13.416 1.00 . A A . 9 LYS O 1 1 8 3763 1 1 11 CYS C C -1.370 11.830 -11.945 1.00 . A A . 10 CYS C 1 1 8 3764 1 1 11 CYS CA C -1.076 12.526 -13.259 1.00 . A A . 10 CYS CA 1 1 8 3765 1 1 11 CYS CB C -1.535 11.638 -14.429 1.00 . A A . 10 CYS CB 1 1 8 3766 1 1 11 CYS H H 0.934 11.991 -13.582 1.00 . A A . 10 CYS H 1 1 8 3767 1 1 11 CYS HA H -1.676 13.446 -13.306 1.00 . A A . 10 CYS HA 1 1 8 3768 1 1 11 CYS HB2 H -2.617 11.484 -14.383 1.00 . A A . 10 CYS HB2 1 1 8 3769 1 1 11 CYS HB3 H -1.264 12.086 -15.395 1.00 . A A . 10 CYS HB3 1 1 8 3770 1 1 11 CYS N N 0.344 12.781 -13.457 1.00 . A A . 10 CYS N 1 1 8 3771 1 1 11 CYS O O -2.528 11.520 -11.715 1.00 . A A . 10 CYS O 1 1 8 3772 1 1 11 CYS SG S -0.719 10.042 -14.256 1.00 . A A . 10 CYS SG 1 1 8 3773 1 1 12 CYS C C -1.227 9.560 -9.874 1.00 . A A . 11 CYS C 1 1 8 3774 1 1 12 CYS CA C -0.677 10.963 -9.765 1.00 . A A . 11 CYS CA 1 1 8 3775 1 1 12 CYS CB C -1.599 11.888 -8.935 1.00 . A A . 11 CYS CB 1 1 8 3776 1 1 12 CYS H H 0.573 11.815 -11.224 1.00 . A A . 11 CYS H 1 1 8 3777 1 1 12 CYS HA H 0.255 10.866 -9.189 1.00 . A A . 11 CYS HA 1 1 8 3778 1 1 12 CYS HB2 H -2.642 11.828 -9.276 1.00 . A A . 11 CYS HB2 1 1 8 3779 1 1 12 CYS HB3 H -1.564 11.596 -7.874 1.00 . A A . 11 CYS HB3 1 1 8 3780 1 1 12 CYS HG H -1.224 13.763 -10.059 1.00 . A A . 11 CYS HG 1 1 8 3781 1 1 12 CYS N N -0.379 11.571 -11.059 1.00 . A A . 11 CYS N 1 1 8 3782 1 1 12 CYS O O -1.834 9.083 -8.929 1.00 . A A . 11 CYS O 1 1 8 3783 1 1 12 CYS SG S -1.015 13.612 -9.084 1.00 . A A . 11 CYS SG 1 1 8 3784 1 1 13 LEU C C -0.640 6.538 -10.591 1.00 . A A . 12 LEU C 1 1 8 3785 1 1 13 LEU CA C -1.571 7.552 -11.211 1.00 . A A . 12 LEU CA 1 1 8 3786 1 1 13 LEU CB C -1.805 7.261 -12.717 1.00 . A A . 12 LEU CB 1 1 8 3787 1 1 13 LEU CD1 C -1.438 4.730 -13.189 1.00 . A A . 12 LEU CD1 1 1 8 3788 1 1 13 LEU CD2 C -3.673 5.492 -12.174 1.00 . A A . 12 LEU CD2 1 1 8 3789 1 1 13 LEU CG C -2.461 5.887 -13.051 1.00 . A A . 12 LEU CG 1 1 8 3790 1 1 13 LEU H H -0.497 9.266 -11.764 1.00 . A A . 12 LEU H 1 1 8 3791 1 1 13 LEU HA H -2.560 7.561 -10.735 1.00 . A A . 12 LEU HA 1 1 8 3792 1 1 13 LEU HB2 H -2.473 8.059 -13.077 1.00 . A A . 12 LEU HB2 1 1 8 3793 1 1 13 LEU HB3 H -0.856 7.337 -13.271 1.00 . A A . 12 LEU HB3 1 1 8 3794 1 1 13 LEU HD11 H -1.885 3.772 -12.893 1.00 . A A . 12 LEU HD11 1 1 8 3795 1 1 13 LEU HD12 H -0.563 4.911 -12.559 1.00 . A A . 12 LEU HD12 1 1 8 3796 1 1 13 LEU HD13 H -1.101 4.634 -14.232 1.00 . A A . 12 LEU HD13 1 1 8 3797 1 1 13 LEU HD21 H -4.348 4.844 -12.753 1.00 . A A . 12 LEU HD21 1 1 8 3798 1 1 13 LEU HD22 H -4.237 6.382 -11.866 1.00 . A A . 12 LEU HD22 1 1 8 3799 1 1 13 LEU HD23 H -3.357 4.935 -11.286 1.00 . A A . 12 LEU HD23 1 1 8 3800 1 1 13 LEU HG H -2.917 6.001 -14.037 1.00 . A A . 12 LEU HG 1 1 8 3801 1 1 13 LEU N N -1.021 8.881 -11.021 1.00 . A A . 12 LEU N 1 1 8 3802 1 1 13 LEU O O 0.551 6.568 -10.859 1.00 . A A . 12 LEU O 1 1 8 3803 1 1 14 ASN C C -0.044 3.506 -10.239 1.00 . A A . 13 ASN C 1 1 8 3804 1 1 14 ASN CA C -0.434 4.533 -9.197 1.00 . A A . 13 ASN CA 1 1 8 3805 1 1 14 ASN CB C -1.282 3.870 -8.081 1.00 . A A . 13 ASN CB 1 1 8 3806 1 1 14 ASN CG C -0.810 2.471 -7.805 1.00 . A A . 13 ASN CG 1 1 8 3807 1 1 14 ASN H H -2.161 5.720 -9.510 1.00 . A A . 13 ASN H 1 1 8 3808 1 1 14 ASN HA H 0.457 4.933 -8.705 1.00 . A A . 13 ASN HA 1 1 8 3809 1 1 14 ASN HB2 H -1.202 4.484 -7.170 1.00 . A A . 13 ASN HB2 1 1 8 3810 1 1 14 ASN HB3 H -2.346 3.802 -8.347 1.00 . A A . 13 ASN HB3 1 1 8 3811 1 1 14 ASN HD21 H -2.064 1.599 -9.179 1.00 . A A . 13 ASN HD21 1 1 8 3812 1 1 14 ASN HD22 H -1.053 0.512 -8.291 1.00 . A A . 13 ASN HD22 1 1 8 3813 1 1 14 ASN N N -1.200 5.637 -9.760 1.00 . A A . 13 ASN N 1 1 8 3814 1 1 14 ASN ND2 N -1.363 1.444 -8.480 1.00 . A A . 13 ASN ND2 1 1 8 3815 1 1 14 ASN O O -0.944 2.846 -10.733 1.00 . A A . 13 ASN O 1 1 8 3816 1 1 14 ASN OD1 O 0.063 2.314 -6.971 1.00 . A A . 13 ASN OD1 1 1 8 3817 1 1 15 ASN C C 2.512 1.251 -10.883 1.00 . A A . 14 ASN C 1 1 8 3818 1 1 15 ASN CA C 1.679 2.324 -11.535 1.00 . A A . 14 ASN CA 1 1 8 3819 1 1 15 ASN CB C 2.613 2.878 -12.631 1.00 . A A . 14 ASN CB 1 1 8 3820 1 1 15 ASN CG C 1.825 3.774 -13.531 1.00 . A A . 14 ASN CG 1 1 8 3821 1 1 15 ASN H H 1.984 3.885 -10.133 1.00 . A A . 14 ASN H 1 1 8 3822 1 1 15 ASN HA H 0.806 1.884 -12.042 1.00 . A A . 14 ASN HA 1 1 8 3823 1 1 15 ASN HB2 H 3.419 3.423 -12.130 1.00 . A A . 14 ASN HB2 1 1 8 3824 1 1 15 ASN HB3 H 3.055 2.072 -13.238 1.00 . A A . 14 ASN HB3 1 1 8 3825 1 1 15 ASN HD21 H 2.474 5.519 -12.626 1.00 . A A . 14 ASN HD21 1 1 8 3826 1 1 15 ASN HD22 H 1.290 5.660 -13.857 1.00 . A A . 14 ASN HD22 1 1 8 3827 1 1 15 ASN N N 1.262 3.342 -10.570 1.00 . A A . 14 ASN N 1 1 8 3828 1 1 15 ASN ND2 N 1.893 5.095 -13.317 1.00 . A A . 14 ASN ND2 1 1 8 3829 1 1 15 ASN O O 3.210 1.532 -9.920 1.00 . A A . 14 ASN O 1 1 8 3830 1 1 15 ASN OD1 O 1.141 3.287 -14.417 1.00 . A A . 14 ASN OD1 1 1 8 3831 1 1 16 PHE C C 4.637 -0.822 -10.699 1.00 . A A . 15 PHE C 1 1 8 3832 1 1 16 PHE CA C 3.157 -1.105 -10.842 1.00 . A A . 15 PHE CA 1 1 8 3833 1 1 16 PHE CB C 2.991 -2.423 -11.657 1.00 . A A . 15 PHE CB 1 1 8 3834 1 1 16 PHE CD1 C 3.515 -4.393 -10.130 1.00 . A A . 15 PHE CD1 1 1 8 3835 1 1 16 PHE CD2 C 1.203 -3.890 -10.607 1.00 . A A . 15 PHE CD2 1 1 8 3836 1 1 16 PHE CE1 C 3.116 -5.473 -9.341 1.00 . A A . 15 PHE CE1 1 1 8 3837 1 1 16 PHE CE2 C 0.804 -4.994 -9.851 1.00 . A A . 15 PHE CE2 1 1 8 3838 1 1 16 PHE CG C 2.561 -3.597 -10.770 1.00 . A A . 15 PHE CG 1 1 8 3839 1 1 16 PHE CZ C 1.761 -5.787 -9.217 1.00 . A A . 15 PHE CZ 1 1 8 3840 1 1 16 PHE H H 1.863 -0.139 -12.231 1.00 . A A . 15 PHE H 1 1 8 3841 1 1 16 PHE HA H 2.710 -1.248 -9.848 1.00 . A A . 15 PHE HA 1 1 8 3842 1 1 16 PHE HB2 H 2.228 -2.337 -12.443 1.00 . A A . 15 PHE HB2 1 1 8 3843 1 1 16 PHE HB3 H 3.936 -2.671 -12.164 1.00 . A A . 15 PHE HB3 1 1 8 3844 1 1 16 PHE HD1 H 4.572 -4.182 -10.246 1.00 . A A . 15 PHE HD1 1 1 8 3845 1 1 16 PHE HD2 H 0.445 -3.265 -11.069 1.00 . A A . 15 PHE HD2 1 1 8 3846 1 1 16 PHE HE1 H 3.861 -6.071 -8.826 1.00 . A A . 15 PHE HE1 1 1 8 3847 1 1 16 PHE HE2 H -0.250 -5.234 -9.755 1.00 . A A . 15 PHE HE2 1 1 8 3848 1 1 16 PHE HZ H 1.452 -6.646 -8.630 1.00 . A A . 15 PHE HZ 1 1 8 3849 1 1 16 PHE N N 2.446 0.021 -11.437 1.00 . A A . 15 PHE N 1 1 8 3850 1 1 16 PHE O O 5.194 -0.060 -11.477 1.00 . A A . 15 PHE O 1 1 8 3851 1 1 17 ARG C C 7.516 -1.923 -10.613 1.00 . A A . 16 ARG C 1 1 8 3852 1 1 17 ARG CA C 6.729 -1.257 -9.515 1.00 . A A . 16 ARG CA 1 1 8 3853 1 1 17 ARG CB C 7.264 -1.689 -8.126 1.00 . A A . 16 ARG CB 1 1 8 3854 1 1 17 ARG CD C 8.884 -0.042 -6.993 1.00 . A A . 16 ARG CD 1 1 8 3855 1 1 17 ARG CG C 7.420 -0.557 -7.071 1.00 . A A . 16 ARG CG 1 1 8 3856 1 1 17 ARG CZ C 10.560 0.762 -8.612 1.00 . A A . 16 ARG CZ 1 1 8 3857 1 1 17 ARG H H 4.785 -2.063 -9.085 1.00 . A A . 16 ARG H 1 1 8 3858 1 1 17 ARG HA H 6.911 -0.193 -9.615 1.00 . A A . 16 ARG HA 1 1 8 3859 1 1 17 ARG HB2 H 6.535 -2.405 -7.772 1.00 . A A . 16 ARG HB2 1 1 8 3860 1 1 17 ARG HB3 H 8.218 -2.230 -8.201 1.00 . A A . 16 ARG HB3 1 1 8 3861 1 1 17 ARG HD2 H 8.963 0.679 -6.165 1.00 . A A . 16 ARG HD2 1 1 8 3862 1 1 17 ARG HD3 H 9.484 -0.932 -6.748 1.00 . A A . 16 ARG HD3 1 1 8 3863 1 1 17 ARG HE H 8.583 1.003 -8.818 1.00 . A A . 16 ARG HE 1 1 8 3864 1 1 17 ARG HG2 H 6.715 0.265 -7.241 1.00 . A A . 16 ARG HG2 1 1 8 3865 1 1 17 ARG HG3 H 7.188 -0.978 -6.080 1.00 . A A . 16 ARG HG3 1 1 8 3866 1 1 17 ARG HH11 H 11.478 -0.023 -6.965 1.00 . A A . 16 ARG HH11 1 1 8 3867 1 1 17 ARG HH12 H 12.548 0.504 -8.252 1.00 . A A . 16 ARG HH12 1 1 8 3868 1 1 17 ARG HH21 H 10.007 1.597 -10.396 1.00 . A A . 16 ARG HH21 1 1 8 3869 1 1 17 ARG HH22 H 11.740 1.452 -10.130 1.00 . A A . 16 ARG HH22 1 1 8 3870 1 1 17 ARG N N 5.292 -1.455 -9.702 1.00 . A A . 16 ARG N 1 1 8 3871 1 1 17 ARG NE N 9.316 0.624 -8.222 1.00 . A A . 16 ARG NE 1 1 8 3872 1 1 17 ARG NH1 N 11.589 0.385 -7.899 1.00 . A A . 16 ARG NH1 1 1 8 3873 1 1 17 ARG NH2 N 10.782 1.314 -9.780 1.00 . A A . 16 ARG NH2 1 1 8 3874 1 1 17 ARG O O 8.004 -3.028 -10.450 1.00 . A A . 16 ARG O 1 1 8 3875 1 1 18 LYS C C 8.338 -0.812 -14.025 1.00 . A A . 17 LYS C 1 1 8 3876 1 1 18 LYS CA C 8.410 -1.778 -12.870 1.00 . A A . 17 LYS CA 1 1 8 3877 1 1 18 LYS CB C 7.808 -3.130 -13.341 1.00 . A A . 17 LYS CB 1 1 8 3878 1 1 18 LYS CD C 8.341 -5.582 -13.854 1.00 . A A . 17 LYS CD 1 1 8 3879 1 1 18 LYS CE C 8.402 -5.648 -15.401 1.00 . A A . 17 LYS CE 1 1 8 3880 1 1 18 LYS CG C 8.887 -4.239 -13.308 1.00 . A A . 17 LYS CG 1 1 8 3881 1 1 18 LYS H H 7.258 -0.321 -11.849 1.00 . A A . 17 LYS H 1 1 8 3882 1 1 18 LYS HA H 9.461 -1.877 -12.553 1.00 . A A . 17 LYS HA 1 1 8 3883 1 1 18 LYS HB2 H 6.964 -3.416 -12.696 1.00 . A A . 17 LYS HB2 1 1 8 3884 1 1 18 LYS HB3 H 7.413 -3.028 -14.362 1.00 . A A . 17 LYS HB3 1 1 8 3885 1 1 18 LYS HD2 H 8.956 -6.402 -13.451 1.00 . A A . 17 LYS HD2 1 1 8 3886 1 1 18 LYS HD3 H 7.304 -5.724 -13.509 1.00 . A A . 17 LYS HD3 1 1 8 3887 1 1 18 LYS HE2 H 7.723 -4.894 -15.830 1.00 . A A . 17 LYS HE2 1 1 8 3888 1 1 18 LYS HE3 H 9.426 -5.428 -15.747 1.00 . A A . 17 LYS HE3 1 1 8 3889 1 1 18 LYS HG2 H 9.765 -3.925 -13.892 1.00 . A A . 17 LYS HG2 1 1 8 3890 1 1 18 LYS HG3 H 9.204 -4.389 -12.264 1.00 . A A . 17 LYS HG3 1 1 8 3891 1 1 18 LYS HZ1 H 7.661 -6.941 -16.905 1.00 . A A . 17 LYS HZ1 1 1 8 3892 1 1 18 LYS HZ2 H 7.246 -7.443 -15.287 1.00 . A A . 17 LYS HZ2 1 1 8 3893 1 1 18 LYS HZ3 H 8.873 -7.659 -15.874 1.00 . A A . 17 LYS HZ3 1 1 8 3894 1 1 18 LYS N N 7.656 -1.228 -11.758 1.00 . A A . 17 LYS N 1 1 8 3895 1 1 18 LYS NZ N 8.022 -6.991 -15.888 1.00 . A A . 17 LYS NZ 1 1 8 3896 1 1 18 LYS O O 9.362 -0.492 -14.607 1.00 . A A . 17 LYS O 1 1 8 3897 1 1 19 ARG C C 8.010 1.647 -15.370 1.00 . A A . 18 ARG C 1 1 8 3898 1 1 19 ARG CA C 6.955 0.563 -15.469 1.00 . A A . 18 ARG CA 1 1 8 3899 1 1 19 ARG CB C 5.518 1.171 -15.564 1.00 . A A . 18 ARG CB 1 1 8 3900 1 1 19 ARG CD C 4.355 -0.255 -17.307 1.00 . A A . 18 ARG CD 1 1 8 3901 1 1 19 ARG CG C 4.947 1.141 -16.999 1.00 . A A . 18 ARG CG 1 1 8 3902 1 1 19 ARG CZ C 3.895 -1.614 -19.277 1.00 . A A . 18 ARG CZ 1 1 8 3903 1 1 19 ARG H H 6.292 -0.696 -13.889 1.00 . A A . 18 ARG H 1 1 8 3904 1 1 19 ARG HA H 7.133 -0.049 -16.364 1.00 . A A . 18 ARG HA 1 1 8 3905 1 1 19 ARG HB2 H 4.793 0.681 -14.896 1.00 . A A . 18 ARG HB2 1 1 8 3906 1 1 19 ARG HB3 H 5.543 2.229 -15.305 1.00 . A A . 18 ARG HB3 1 1 8 3907 1 1 19 ARG HD2 H 5.041 -1.009 -16.896 1.00 . A A . 18 ARG HD2 1 1 8 3908 1 1 19 ARG HD3 H 3.374 -0.339 -16.814 1.00 . A A . 18 ARG HD3 1 1 8 3909 1 1 19 ARG HE H 4.427 0.340 -19.355 1.00 . A A . 18 ARG HE 1 1 8 3910 1 1 19 ARG HG2 H 4.137 1.879 -17.092 1.00 . A A . 18 ARG HG2 1 1 8 3911 1 1 19 ARG HG3 H 5.750 1.419 -17.700 1.00 . A A . 18 ARG HG3 1 1 8 3912 1 1 19 ARG HH11 H 3.601 -2.652 -17.538 1.00 . A A . 18 ARG HH11 1 1 8 3913 1 1 19 ARG HH12 H 3.372 -3.567 -19.018 1.00 . A A . 18 ARG HH12 1 1 8 3914 1 1 19 ARG HH21 H 4.096 -0.913 -21.181 1.00 . A A . 18 ARG HH21 1 1 8 3915 1 1 19 ARG HH22 H 3.600 -2.595 -21.041 1.00 . A A . 18 ARG HH22 1 1 8 3916 1 1 19 ARG N N 7.109 -0.358 -14.356 1.00 . A A . 18 ARG N 1 1 8 3917 1 1 19 ARG NE N 4.221 -0.462 -18.744 1.00 . A A . 18 ARG NE 1 1 8 3918 1 1 19 ARG NH1 N 3.608 -2.674 -18.564 1.00 . A A . 18 ARG NH1 1 1 8 3919 1 1 19 ARG NH2 N 3.860 -1.712 -20.580 1.00 . A A . 18 ARG NH2 1 1 8 3920 1 1 19 ARG O O 7.968 2.451 -14.455 1.00 . A A . 18 ARG O 1 1 8 3921 1 1 20 LEU C C 9.214 4.119 -16.428 1.00 . A A . 19 LEU C 1 1 8 3922 1 1 20 LEU CA C 9.932 2.803 -16.306 1.00 . A A . 19 LEU CA 1 1 8 3923 1 1 20 LEU CB C 10.905 2.690 -17.510 1.00 . A A . 19 LEU CB 1 1 8 3924 1 1 20 LEU CD1 C 12.815 1.354 -18.490 1.00 . A A . 19 LEU CD1 1 1 8 3925 1 1 20 LEU CD2 C 13.132 2.561 -16.241 1.00 . A A . 19 LEU CD2 1 1 8 3926 1 1 20 LEU CG C 12.137 1.806 -17.171 1.00 . A A . 19 LEU CG 1 1 8 3927 1 1 20 LEU H H 9.068 0.984 -16.999 1.00 . A A . 19 LEU H 1 1 8 3928 1 1 20 LEU HA H 10.482 2.829 -15.353 1.00 . A A . 19 LEU HA 1 1 8 3929 1 1 20 LEU HB2 H 10.361 2.288 -18.379 1.00 . A A . 19 LEU HB2 1 1 8 3930 1 1 20 LEU HB3 H 11.258 3.690 -17.807 1.00 . A A . 19 LEU HB3 1 1 8 3931 1 1 20 LEU HD11 H 12.169 0.618 -18.994 1.00 . A A . 19 LEU HD11 1 1 8 3932 1 1 20 LEU HD12 H 13.785 0.873 -18.297 1.00 . A A . 19 LEU HD12 1 1 8 3933 1 1 20 LEU HD13 H 12.967 2.213 -19.161 1.00 . A A . 19 LEU HD13 1 1 8 3934 1 1 20 LEU HD21 H 13.159 3.638 -16.459 1.00 . A A . 19 LEU HD21 1 1 8 3935 1 1 20 LEU HD22 H 14.154 2.170 -16.352 1.00 . A A . 19 LEU HD22 1 1 8 3936 1 1 20 LEU HD23 H 12.841 2.429 -15.188 1.00 . A A . 19 LEU HD23 1 1 8 3937 1 1 20 LEU HG H 11.807 0.889 -16.654 1.00 . A A . 19 LEU HG 1 1 8 3938 1 1 20 LEU N N 8.983 1.695 -16.303 1.00 . A A . 19 LEU N 1 1 8 3939 1 1 20 LEU O O 9.783 5.123 -16.031 1.00 . A A . 19 LEU O 1 1 8 3940 1 1 21 LYS C C 5.830 5.227 -16.956 1.00 . A A . 20 LYS C 1 1 8 3941 1 1 21 LYS CA C 7.305 5.415 -17.126 1.00 . A A . 20 LYS CA 1 1 8 3942 1 1 21 LYS CB C 7.621 6.019 -18.514 1.00 . A A . 20 LYS CB 1 1 8 3943 1 1 21 LYS CD C 7.736 5.682 -21.009 1.00 . A A . 20 LYS CD 1 1 8 3944 1 1 21 LYS CE C 6.943 5.163 -22.236 1.00 . A A . 20 LYS CE 1 1 8 3945 1 1 21 LYS CG C 7.247 5.066 -19.675 1.00 . A A . 20 LYS CG 1 1 8 3946 1 1 21 LYS H H 7.498 3.335 -17.298 1.00 . A A . 20 LYS H 1 1 8 3947 1 1 21 LYS HA H 7.614 6.080 -16.308 1.00 . A A . 20 LYS HA 1 1 8 3948 1 1 21 LYS HB2 H 7.034 6.941 -18.643 1.00 . A A . 20 LYS HB2 1 1 8 3949 1 1 21 LYS HB3 H 8.694 6.257 -18.569 1.00 . A A . 20 LYS HB3 1 1 8 3950 1 1 21 LYS HD2 H 7.623 6.774 -20.956 1.00 . A A . 20 LYS HD2 1 1 8 3951 1 1 21 LYS HD3 H 8.807 5.454 -21.144 1.00 . A A . 20 LYS HD3 1 1 8 3952 1 1 21 LYS HE2 H 7.369 4.195 -22.548 1.00 . A A . 20 LYS HE2 1 1 8 3953 1 1 21 LYS HE3 H 5.885 4.997 -21.977 1.00 . A A . 20 LYS HE3 1 1 8 3954 1 1 21 LYS HG2 H 7.712 4.075 -19.560 1.00 . A A . 20 LYS HG2 1 1 8 3955 1 1 21 LYS HG3 H 6.153 4.949 -19.663 1.00 . A A . 20 LYS HG3 1 1 8 3956 1 1 21 LYS HZ1 H 6.120 6.791 -23.302 1.00 . A A . 20 LYS HZ1 1 1 8 3957 1 1 21 LYS HZ2 H 6.988 5.650 -24.306 1.00 . A A . 20 LYS HZ2 1 1 8 3958 1 1 21 LYS HZ3 H 7.851 6.790 -23.322 1.00 . A A . 20 LYS HZ3 1 1 8 3959 1 1 21 LYS N N 7.981 4.144 -16.971 1.00 . A A . 20 LYS N 1 1 8 3960 1 1 21 LYS NZ N 6.986 6.142 -23.345 1.00 . A A . 20 LYS NZ 1 1 8 3961 1 1 21 LYS O O 5.336 4.127 -17.139 1.00 . A A . 20 LYS O 1 1 8 3962 1 1 22 CYS C C 2.969 5.674 -17.493 1.00 . A A . 21 CYS C 1 1 8 3963 1 1 22 CYS CA C 3.720 6.185 -16.296 1.00 . A A . 21 CYS CA 1 1 8 3964 1 1 22 CYS CB C 3.219 7.574 -15.871 1.00 . A A . 21 CYS CB 1 1 8 3965 1 1 22 CYS H H 5.562 7.212 -16.484 1.00 . A A . 21 CYS H 1 1 8 3966 1 1 22 CYS HA H 3.573 5.497 -15.452 1.00 . A A . 21 CYS HA 1 1 8 3967 1 1 22 CYS HB2 H 3.738 7.885 -14.954 1.00 . A A . 21 CYS HB2 1 1 8 3968 1 1 22 CYS HB3 H 3.350 8.325 -16.662 1.00 . A A . 21 CYS HB3 1 1 8 3969 1 1 22 CYS N N 5.131 6.311 -16.585 1.00 . A A . 21 CYS N 1 1 8 3970 1 1 22 CYS O O 3.130 6.230 -18.567 1.00 . A A . 21 CYS O 1 1 8 3971 1 1 22 CYS SG S 1.463 7.433 -15.558 1.00 . A A . 21 CYS SG 1 1 8 3972 1 1 23 PHE C C 0.185 4.942 -18.767 1.00 . A A . 22 PHE C 1 1 8 3973 1 1 23 PHE CA C 1.399 4.095 -18.461 1.00 . A A . 22 PHE CA 1 1 8 3974 1 1 23 PHE CB C 0.990 2.638 -18.116 1.00 . A A . 22 PHE CB 1 1 8 3975 1 1 23 PHE CD1 C 1.929 1.609 -20.226 1.00 . A A . 22 PHE CD1 1 1 8 3976 1 1 23 PHE CD2 C -0.376 1.149 -19.666 1.00 . A A . 22 PHE CD2 1 1 8 3977 1 1 23 PHE CE1 C 1.803 0.847 -21.388 1.00 . A A . 22 PHE CE1 1 1 8 3978 1 1 23 PHE CE2 C -0.483 0.335 -20.795 1.00 . A A . 22 PHE CE2 1 1 8 3979 1 1 23 PHE CG C 0.836 1.778 -19.370 1.00 . A A . 22 PHE CG 1 1 8 3980 1 1 23 PHE CZ C 0.608 0.174 -21.650 1.00 . A A . 22 PHE CZ 1 1 8 3981 1 1 23 PHE H H 1.995 4.207 -16.423 1.00 . A A . 22 PHE H 1 1 8 3982 1 1 23 PHE HA H 2.052 4.122 -19.344 1.00 . A A . 22 PHE HA 1 1 8 3983 1 1 23 PHE HB2 H 1.779 2.140 -17.534 1.00 . A A . 22 PHE HB2 1 1 8 3984 1 1 23 PHE HB3 H 0.076 2.652 -17.502 1.00 . A A . 22 PHE HB3 1 1 8 3985 1 1 23 PHE HD1 H 2.883 2.069 -19.999 1.00 . A A . 22 PHE HD1 1 1 8 3986 1 1 23 PHE HD2 H -1.238 1.286 -19.022 1.00 . A A . 22 PHE HD2 1 1 8 3987 1 1 23 PHE HE1 H 2.628 0.783 -22.086 1.00 . A A . 22 PHE HE1 1 1 8 3988 1 1 23 PHE HE2 H -1.418 -0.171 -21.009 1.00 . A A . 22 PHE HE2 1 1 8 3989 1 1 23 PHE HZ H 0.530 -0.470 -22.519 1.00 . A A . 22 PHE HZ 1 1 8 3990 1 1 23 PHE N N 2.145 4.618 -17.326 1.00 . A A . 22 PHE N 1 1 8 3991 1 1 23 PHE O O -0.328 4.882 -19.872 1.00 . A A . 22 PHE O 1 1 8 3992 1 1 24 ARG C C -1.138 7.796 -18.827 1.00 . A A . 23 ARG C 1 1 8 3993 1 1 24 ARG CA C -1.453 6.585 -17.975 1.00 . A A . 23 ARG CA 1 1 8 3994 1 1 24 ARG CB C -2.003 7.015 -16.586 1.00 . A A . 23 ARG CB 1 1 8 3995 1 1 24 ARG CD C -3.907 8.643 -15.748 1.00 . A A . 23 ARG CD 1 1 8 3996 1 1 24 ARG CG C -3.504 7.417 -16.628 1.00 . A A . 23 ARG CG 1 1 8 3997 1 1 24 ARG CZ C -5.266 9.255 -13.800 1.00 . A A . 23 ARG CZ 1 1 8 3998 1 1 24 ARG H H 0.142 5.723 -16.890 1.00 . A A . 23 ARG H 1 1 8 3999 1 1 24 ARG HA H -2.225 5.971 -18.466 1.00 . A A . 23 ARG HA 1 1 8 4000 1 1 24 ARG HB2 H -1.903 6.123 -15.964 1.00 . A A . 23 ARG HB2 1 1 8 4001 1 1 24 ARG HB3 H -1.383 7.796 -16.131 1.00 . A A . 23 ARG HB3 1 1 8 4002 1 1 24 ARG HD2 H -3.027 9.231 -15.466 1.00 . A A . 23 ARG HD2 1 1 8 4003 1 1 24 ARG HD3 H -4.534 9.262 -16.406 1.00 . A A . 23 ARG HD3 1 1 8 4004 1 1 24 ARG HE H -4.764 7.356 -14.269 1.00 . A A . 23 ARG HE 1 1 8 4005 1 1 24 ARG HG2 H -3.732 7.683 -17.671 1.00 . A A . 23 ARG HG2 1 1 8 4006 1 1 24 ARG HG3 H -4.115 6.536 -16.379 1.00 . A A . 23 ARG HG3 1 1 8 4007 1 1 24 ARG HH11 H -4.776 10.899 -14.909 1.00 . A A . 23 ARG HH11 1 1 8 4008 1 1 24 ARG HH12 H -5.719 11.217 -13.468 1.00 . A A . 23 ARG HH12 1 1 8 4009 1 1 24 ARG HH21 H -5.981 7.887 -12.461 1.00 . A A . 23 ARG HH21 1 1 8 4010 1 1 24 ARG HH22 H -6.390 9.562 -12.121 1.00 . A A . 23 ARG HH22 1 1 8 4011 1 1 24 ARG N N -0.285 5.734 -17.783 1.00 . A A . 23 ARG N 1 1 8 4012 1 1 24 ARG NE N -4.677 8.341 -14.539 1.00 . A A . 23 ARG NE 1 1 8 4013 1 1 24 ARG NH1 N -5.248 10.534 -14.077 1.00 . A A . 23 ARG NH1 1 1 8 4014 1 1 24 ARG NH2 N -5.918 8.877 -12.728 1.00 . A A . 23 ARG NH2 1 1 8 4015 1 1 24 ARG O O -1.674 7.893 -19.918 1.00 . A A . 23 ARG O 1 1 8 4016 1 1 25 CYS C C 1.140 9.557 -20.127 1.00 . A A . 24 CYS C 1 1 8 4017 1 1 25 CYS CA C 0.038 9.910 -19.157 1.00 . A A . 24 CYS CA 1 1 8 4018 1 1 25 CYS CB C 0.369 11.141 -18.263 1.00 . A A . 24 CYS CB 1 1 8 4019 1 1 25 CYS H H 0.190 8.645 -17.496 1.00 . A A . 24 CYS H 1 1 8 4020 1 1 25 CYS HA H -0.847 10.211 -19.738 1.00 . A A . 24 CYS HA 1 1 8 4021 1 1 25 CYS HB2 H 0.500 12.032 -18.895 1.00 . A A . 24 CYS HB2 1 1 8 4022 1 1 25 CYS HB3 H -0.481 11.311 -17.588 1.00 . A A . 24 CYS HB3 1 1 8 4023 1 1 25 CYS N N -0.288 8.739 -18.358 1.00 . A A . 24 CYS N 1 1 8 4024 1 1 25 CYS O O 1.286 10.272 -21.104 1.00 . A A . 24 CYS O 1 1 8 4025 1 1 25 CYS SG S 1.858 11.020 -17.220 1.00 . A A . 24 CYS SG 1 1 8 4026 1 1 26 GLY C C 4.317 8.760 -20.369 1.00 . A A . 25 GLY C 1 1 8 4027 1 1 26 GLY CA C 3.009 8.147 -20.814 1.00 . A A . 25 GLY CA 1 1 8 4028 1 1 26 GLY H H 1.846 7.893 -19.085 1.00 . A A . 25 GLY H 1 1 8 4029 1 1 26 GLY HA2 H 3.127 7.054 -20.872 1.00 . A A . 25 GLY HA2 1 1 8 4030 1 1 26 GLY HA3 H 2.783 8.493 -21.834 1.00 . A A . 25 GLY HA3 1 1 8 4031 1 1 26 GLY N N 1.924 8.475 -19.896 1.00 . A A . 25 GLY N 1 1 8 4032 1 1 26 GLY O O 5.345 8.373 -20.903 1.00 . A A . 25 GLY O 1 1 8 4033 1 1 27 ALA C C 6.256 9.649 -17.957 1.00 . A A . 26 ALA C 1 1 8 4034 1 1 27 ALA CA C 5.517 10.416 -19.025 1.00 . A A . 26 ALA CA 1 1 8 4035 1 1 27 ALA CB C 5.179 11.831 -18.492 1.00 . A A . 26 ALA CB 1 1 8 4036 1 1 27 ALA H H 3.467 9.989 -18.959 1.00 . A A . 26 ALA H 1 1 8 4037 1 1 27 ALA HA H 6.158 10.542 -19.912 1.00 . A A . 26 ALA HA 1 1 8 4038 1 1 27 ALA HB1 H 6.100 12.421 -18.366 1.00 . A A . 26 ALA HB1 1 1 8 4039 1 1 27 ALA HB2 H 4.520 12.350 -19.206 1.00 . A A . 26 ALA HB2 1 1 8 4040 1 1 27 ALA HB3 H 4.671 11.765 -17.518 1.00 . A A . 26 ALA HB3 1 1 8 4041 1 1 27 ALA N N 4.302 9.721 -19.420 1.00 . A A . 26 ALA N 1 1 8 4042 1 1 27 ALA O O 5.672 8.803 -17.301 1.00 . A A . 26 ALA O 1 1 8 4043 1 1 28 ASP C C 7.742 9.382 -15.385 1.00 . A A . 27 ASP C 1 1 8 4044 1 1 28 ASP CA C 8.321 9.191 -16.766 1.00 . A A . 27 ASP CA 1 1 8 4045 1 1 28 ASP CB C 9.826 9.538 -16.764 1.00 . A A . 27 ASP CB 1 1 8 4046 1 1 28 ASP CG C 10.690 8.399 -16.300 1.00 . A A . 27 ASP CG 1 1 8 4047 1 1 28 ASP H H 8.018 10.622 -18.324 1.00 . A A . 27 ASP H 1 1 8 4048 1 1 28 ASP HA H 8.265 8.135 -17.029 1.00 . A A . 27 ASP HA 1 1 8 4049 1 1 28 ASP HB2 H 10.159 9.801 -17.779 1.00 . A A . 27 ASP HB2 1 1 8 4050 1 1 28 ASP HB3 H 9.973 10.379 -16.074 1.00 . A A . 27 ASP HB3 1 1 8 4051 1 1 28 ASP N N 7.561 9.930 -17.769 1.00 . A A . 27 ASP N 1 1 8 4052 1 1 28 ASP O O 6.870 10.214 -15.199 1.00 . A A . 27 ASP O 1 1 8 4053 1 1 28 ASP OD1 O 10.711 8.165 -15.058 1.00 . A A . 27 ASP OD1 1 1 8 4054 1 1 28 ASP OD2 O 11.336 7.740 -17.157 1.00 . A A . 27 ASP OD2 1 1 8 4055 1 1 29 LYS C C 7.879 10.117 -12.556 1.00 . A A . 28 LYS C 1 1 8 4056 1 1 29 LYS CA C 7.707 8.703 -13.047 1.00 . A A . 28 LYS CA 1 1 8 4057 1 1 29 LYS CB C 8.478 7.759 -12.085 1.00 . A A . 28 LYS CB 1 1 8 4058 1 1 29 LYS CD C 9.726 5.494 -12.100 1.00 . A A . 28 LYS CD 1 1 8 4059 1 1 29 LYS CE C 9.526 4.872 -10.693 1.00 . A A . 28 LYS CE 1 1 8 4060 1 1 29 LYS CG C 8.464 6.274 -12.544 1.00 . A A . 28 LYS CG 1 1 8 4061 1 1 29 LYS H H 9.030 8.029 -14.564 1.00 . A A . 28 LYS H 1 1 8 4062 1 1 29 LYS HA H 6.642 8.430 -13.062 1.00 . A A . 28 LYS HA 1 1 8 4063 1 1 29 LYS HB2 H 9.515 8.114 -12.032 1.00 . A A . 28 LYS HB2 1 1 8 4064 1 1 29 LYS HB3 H 8.051 7.841 -11.073 1.00 . A A . 28 LYS HB3 1 1 8 4065 1 1 29 LYS HD2 H 9.912 4.679 -12.819 1.00 . A A . 28 LYS HD2 1 1 8 4066 1 1 29 LYS HD3 H 10.614 6.143 -12.125 1.00 . A A . 28 LYS HD3 1 1 8 4067 1 1 29 LYS HE2 H 8.747 5.390 -10.111 1.00 . A A . 28 LYS HE2 1 1 8 4068 1 1 29 LYS HE3 H 9.199 3.829 -10.831 1.00 . A A . 28 LYS HE3 1 1 8 4069 1 1 29 LYS HG2 H 7.607 5.802 -12.072 1.00 . A A . 28 LYS HG2 1 1 8 4070 1 1 29 LYS HG3 H 8.335 6.145 -13.627 1.00 . A A . 28 LYS HG3 1 1 8 4071 1 1 29 LYS HZ1 H 10.671 4.335 -9.004 1.00 . A A . 28 LYS HZ1 1 1 8 4072 1 1 29 LYS HZ2 H 10.946 5.953 -9.595 1.00 . A A . 28 LYS HZ2 1 1 8 4073 1 1 29 LYS HZ3 H 11.628 4.590 -10.460 1.00 . A A . 28 LYS HZ3 1 1 8 4074 1 1 29 LYS N N 8.246 8.622 -14.394 1.00 . A A . 28 LYS N 1 1 8 4075 1 1 29 LYS NZ N 10.768 4.930 -9.900 1.00 . A A . 28 LYS NZ 1 1 8 4076 1 1 29 LYS O O 6.898 10.716 -12.150 1.00 . A A . 28 LYS O 1 1 8 4077 1 1 30 PHE C C 9.479 12.940 -13.315 1.00 . A A . 29 PHE C 1 1 8 4078 1 1 30 PHE CA C 9.406 11.998 -12.136 1.00 . A A . 29 PHE CA 1 1 8 4079 1 1 30 PHE CB C 10.689 12.018 -11.252 1.00 . A A . 29 PHE CB 1 1 8 4080 1 1 30 PHE CD1 C 10.402 13.900 -9.562 1.00 . A A . 29 PHE CD1 1 1 8 4081 1 1 30 PHE CD2 C 10.148 11.628 -8.792 1.00 . A A . 29 PHE CD2 1 1 8 4082 1 1 30 PHE CE1 C 10.202 14.364 -8.259 1.00 . A A . 29 PHE CE1 1 1 8 4083 1 1 30 PHE CE2 C 9.957 12.089 -7.488 1.00 . A A . 29 PHE CE2 1 1 8 4084 1 1 30 PHE CG C 10.402 12.529 -9.832 1.00 . A A . 29 PHE CG 1 1 8 4085 1 1 30 PHE CZ C 9.990 13.458 -7.218 1.00 . A A . 29 PHE CZ 1 1 8 4086 1 1 30 PHE H H 9.880 10.149 -13.045 1.00 . A A . 29 PHE H 1 1 8 4087 1 1 30 PHE HA H 8.597 12.373 -11.505 1.00 . A A . 29 PHE HA 1 1 8 4088 1 1 30 PHE HB2 H 11.104 11.003 -11.167 1.00 . A A . 29 PHE HB2 1 1 8 4089 1 1 30 PHE HB3 H 11.479 12.643 -11.697 1.00 . A A . 29 PHE HB3 1 1 8 4090 1 1 30 PHE HD1 H 10.562 14.614 -10.365 1.00 . A A . 29 PHE HD1 1 1 8 4091 1 1 30 PHE HD2 H 10.099 10.563 -8.990 1.00 . A A . 29 PHE HD2 1 1 8 4092 1 1 30 PHE HE1 H 10.213 15.429 -8.055 1.00 . A A . 29 PHE HE1 1 1 8 4093 1 1 30 PHE HE2 H 9.778 11.384 -6.683 1.00 . A A . 29 PHE HE2 1 1 8 4094 1 1 30 PHE HZ H 9.849 13.818 -6.205 1.00 . A A . 29 PHE HZ 1 1 8 4095 1 1 30 PHE N N 9.127 10.646 -12.611 1.00 . A A . 29 PHE N 1 1 8 4096 1 1 30 PHE O O 10.111 13.975 -13.196 1.00 . A A . 29 PHE O 1 1 8 4097 1 1 31 ASP C C 10.333 13.715 -16.043 1.00 . A A . 30 ASP C 1 1 8 4098 1 1 31 ASP CA C 8.895 13.451 -15.641 1.00 . A A . 30 ASP CA 1 1 8 4099 1 1 31 ASP CB C 8.109 14.755 -15.359 1.00 . A A . 30 ASP CB 1 1 8 4100 1 1 31 ASP CG C 7.663 15.453 -16.618 1.00 . A A . 30 ASP CG 1 1 8 4101 1 1 31 ASP H H 8.250 11.793 -14.512 1.00 . A A . 30 ASP H 1 1 8 4102 1 1 31 ASP HA H 8.380 12.899 -16.444 1.00 . A A . 30 ASP HA 1 1 8 4103 1 1 31 ASP HB2 H 7.213 14.493 -14.777 1.00 . A A . 30 ASP HB2 1 1 8 4104 1 1 31 ASP HB3 H 8.709 15.456 -14.760 1.00 . A A . 30 ASP HB3 1 1 8 4105 1 1 31 ASP N N 8.833 12.602 -14.454 1.00 . A A . 30 ASP N 1 1 8 4106 1 1 31 ASP O O 10.934 14.675 -15.592 1.00 . A A . 30 ASP O 1 1 8 4107 1 1 31 ASP OD1 O 7.818 14.883 -17.731 1.00 . A A . 30 ASP OD1 1 1 8 4108 1 1 31 ASP OD2 O 7.129 16.594 -16.499 1.00 . A A . 30 ASP OD2 1 1 8 4109 1 1 32 NH2 HN1 H 10.468 12.158 -17.372 1.00 . A A . 31 NH2 HN1 1 1 8 4110 1 1 32 NH2 HN2 H 11.926 13.024 -17.097 1.00 . A A . 31 NH2 HN2 1 1 8 4111 1 1 32 NH2 N N 10.956 12.884 -16.903 1.00 . A A . 31 NH2 N 1 1 8 4112 2 2 1 ZN ZN ZN 1.442 9.808 -15.223 1.00 . B A . 32 ZN ZN 1 1 9 4113 1 1 1 ACE C C -2.027 -4.455 -2.128 1.00 . A A . 0 ACE C 1 1 9 4114 1 1 1 ACE CH3 C -3.311 -4.198 -1.392 1.00 . A A . 0 ACE CH3 1 1 9 4115 1 1 1 ACE H1 H -4.128 -4.075 -2.119 1.00 . A A . 0 ACE H1 1 1 9 4116 1 1 1 ACE H2 H -3.219 -3.283 -0.788 1.00 . A A . 0 ACE H2 1 1 9 4117 1 1 1 ACE H3 H -3.545 -5.046 -0.731 1.00 . A A . 0 ACE H3 1 1 9 4118 1 1 1 ACE O O -1.426 -5.498 -1.928 1.00 . A A . 0 ACE O 1 1 9 4119 1 1 2 LYS C C 0.700 -2.896 -3.161 1.00 . A A . 1 LYS C 1 1 9 4120 1 1 2 LYS CA C -0.405 -3.718 -3.782 1.00 . A A . 1 LYS CA 1 1 9 4121 1 1 2 LYS CB C -0.703 -3.319 -5.248 1.00 . A A . 1 LYS CB 1 1 9 4122 1 1 2 LYS CD C -0.027 -3.664 -7.684 1.00 . A A . 1 LYS CD 1 1 9 4123 1 1 2 LYS CE C -1.170 -4.372 -8.464 1.00 . A A . 1 LYS CE 1 1 9 4124 1 1 2 LYS CG C 0.168 -4.150 -6.226 1.00 . A A . 1 LYS CG 1 1 9 4125 1 1 2 LYS H H -2.093 -2.637 -3.092 1.00 . A A . 1 LYS H 1 1 9 4126 1 1 2 LYS HA H -0.131 -4.783 -3.792 1.00 . A A . 1 LYS HA 1 1 9 4127 1 1 2 LYS HB2 H -1.759 -3.519 -5.483 1.00 . A A . 1 LYS HB2 1 1 9 4128 1 1 2 LYS HB3 H -0.533 -2.237 -5.367 1.00 . A A . 1 LYS HB3 1 1 9 4129 1 1 2 LYS HD2 H -0.247 -2.592 -7.634 1.00 . A A . 1 LYS HD2 1 1 9 4130 1 1 2 LYS HD3 H 0.920 -3.801 -8.232 1.00 . A A . 1 LYS HD3 1 1 9 4131 1 1 2 LYS HE2 H -0.699 -5.017 -9.221 1.00 . A A . 1 LYS HE2 1 1 9 4132 1 1 2 LYS HE3 H -1.759 -5.027 -7.805 1.00 . A A . 1 LYS HE3 1 1 9 4133 1 1 2 LYS HG2 H 1.223 -4.026 -5.938 1.00 . A A . 1 LYS HG2 1 1 9 4134 1 1 2 LYS HG3 H -0.077 -5.222 -6.153 1.00 . A A . 1 LYS HG3 1 1 9 4135 1 1 2 LYS HZ1 H -2.977 -3.272 -8.538 1.00 . A A . 1 LYS HZ1 1 1 9 4136 1 1 2 LYS HZ2 H -2.422 -3.832 -10.091 1.00 . A A . 1 LYS HZ2 1 1 9 4137 1 1 2 LYS HZ3 H -1.681 -2.460 -9.371 1.00 . A A . 1 LYS HZ3 1 1 9 4138 1 1 2 LYS N N -1.606 -3.506 -2.989 1.00 . A A . 1 LYS N 1 1 9 4139 1 1 2 LYS NZ N -2.096 -3.432 -9.142 1.00 . A A . 1 LYS NZ 1 1 9 4140 1 1 2 LYS O O 0.739 -1.694 -3.369 1.00 . A A . 1 LYS O 1 1 9 4141 1 1 3 PHE C C 3.888 -2.740 -2.682 1.00 . A A . 2 PHE C 1 1 9 4142 1 1 3 PHE CA C 2.689 -2.745 -1.768 1.00 . A A . 2 PHE CA 1 1 9 4143 1 1 3 PHE CB C 2.980 -3.361 -0.372 1.00 . A A . 2 PHE CB 1 1 9 4144 1 1 3 PHE CD1 C 3.234 -1.161 0.883 1.00 . A A . 2 PHE CD1 1 1 9 4145 1 1 3 PHE CD2 C 4.957 -2.827 1.148 1.00 . A A . 2 PHE CD2 1 1 9 4146 1 1 3 PHE CE1 C 3.943 -0.290 1.712 1.00 . A A . 2 PHE CE1 1 1 9 4147 1 1 3 PHE CE2 C 5.640 -1.979 2.023 1.00 . A A . 2 PHE CE2 1 1 9 4148 1 1 3 PHE CG C 3.748 -2.424 0.571 1.00 . A A . 2 PHE CG 1 1 9 4149 1 1 3 PHE CZ C 5.140 -0.704 2.297 1.00 . A A . 2 PHE CZ 1 1 9 4150 1 1 3 PHE H H 1.585 -4.502 -2.224 1.00 . A A . 2 PHE H 1 1 9 4151 1 1 3 PHE HA H 2.388 -1.697 -1.642 1.00 . A A . 2 PHE HA 1 1 9 4152 1 1 3 PHE HB2 H 2.020 -3.568 0.125 1.00 . A A . 2 PHE HB2 1 1 9 4153 1 1 3 PHE HB3 H 3.505 -4.319 -0.503 1.00 . A A . 2 PHE HB3 1 1 9 4154 1 1 3 PHE HD1 H 2.274 -0.841 0.496 1.00 . A A . 2 PHE HD1 1 1 9 4155 1 1 3 PHE HD2 H 5.374 -3.804 0.929 1.00 . A A . 2 PHE HD2 1 1 9 4156 1 1 3 PHE HE1 H 3.559 0.706 1.905 1.00 . A A . 2 PHE HE1 1 1 9 4157 1 1 3 PHE HE2 H 6.559 -2.311 2.493 1.00 . A A . 2 PHE HE2 1 1 9 4158 1 1 3 PHE HZ H 5.678 -0.039 2.963 1.00 . A A . 2 PHE HZ 1 1 9 4159 1 1 3 PHE N N 1.613 -3.515 -2.383 1.00 . A A . 2 PHE N 1 1 9 4160 1 1 3 PHE O O 4.982 -3.036 -2.227 1.00 . A A . 2 PHE O 1 1 9 4161 1 1 4 GLU C C 4.535 -1.578 -6.104 1.00 . A A . 3 GLU C 1 1 9 4162 1 1 4 GLU CA C 4.822 -2.461 -4.907 1.00 . A A . 3 GLU CA 1 1 9 4163 1 1 4 GLU CB C 5.106 -3.948 -5.261 1.00 . A A . 3 GLU CB 1 1 9 4164 1 1 4 GLU CD C 7.305 -5.192 -5.755 1.00 . A A . 3 GLU CD 1 1 9 4165 1 1 4 GLU CG C 6.363 -4.091 -6.151 1.00 . A A . 3 GLU CG 1 1 9 4166 1 1 4 GLU H H 2.809 -2.142 -4.358 1.00 . A A . 3 GLU H 1 1 9 4167 1 1 4 GLU HA H 5.702 -2.040 -4.400 1.00 . A A . 3 GLU HA 1 1 9 4168 1 1 4 GLU HB2 H 5.287 -4.506 -4.331 1.00 . A A . 3 GLU HB2 1 1 9 4169 1 1 4 GLU HB3 H 4.232 -4.391 -5.764 1.00 . A A . 3 GLU HB3 1 1 9 4170 1 1 4 GLU HG2 H 6.087 -4.180 -7.213 1.00 . A A . 3 GLU HG2 1 1 9 4171 1 1 4 GLU HG3 H 6.955 -3.189 -6.001 1.00 . A A . 3 GLU HG3 1 1 9 4172 1 1 4 GLU N N 3.703 -2.404 -3.980 1.00 . A A . 3 GLU N 1 1 9 4173 1 1 4 GLU O O 4.537 -2.046 -7.233 1.00 . A A . 3 GLU O 1 1 9 4174 1 1 4 GLU OE1 O 8.173 -4.928 -4.878 1.00 . A A . 3 GLU OE1 1 1 9 4175 1 1 4 GLU OE2 O 7.201 -6.308 -6.332 1.00 . A A . 3 GLU OE2 1 1 9 4176 1 1 5 ASP C C 4.337 2.028 -6.632 1.00 . A A . 4 ASP C 1 1 9 4177 1 1 5 ASP CA C 3.885 0.626 -6.951 1.00 . A A . 4 ASP CA 1 1 9 4178 1 1 5 ASP CB C 2.350 0.599 -7.128 1.00 . A A . 4 ASP CB 1 1 9 4179 1 1 5 ASP CG C 1.865 -0.816 -7.225 1.00 . A A . 4 ASP CG 1 1 9 4180 1 1 5 ASP H H 4.263 0.100 -4.933 1.00 . A A . 4 ASP H 1 1 9 4181 1 1 5 ASP HA H 4.363 0.342 -7.896 1.00 . A A . 4 ASP HA 1 1 9 4182 1 1 5 ASP HB2 H 1.867 1.085 -6.269 1.00 . A A . 4 ASP HB2 1 1 9 4183 1 1 5 ASP HB3 H 2.051 1.130 -8.044 1.00 . A A . 4 ASP HB3 1 1 9 4184 1 1 5 ASP N N 4.274 -0.270 -5.863 1.00 . A A . 4 ASP N 1 1 9 4185 1 1 5 ASP O O 4.884 2.222 -5.558 1.00 . A A . 4 ASP O 1 1 9 4186 1 1 5 ASP OD1 O 1.811 -1.510 -6.172 1.00 . A A . 4 ASP OD1 1 1 9 4187 1 1 5 ASP OD2 O 1.526 -1.233 -8.364 1.00 . A A . 4 ASP OD2 1 1 9 4188 1 1 6 TRP C C 3.485 5.310 -7.899 1.00 . A A . 5 TRP C 1 1 9 4189 1 1 6 TRP CA C 4.486 4.385 -7.263 1.00 . A A . 5 TRP CA 1 1 9 4190 1 1 6 TRP CB C 5.887 4.701 -7.828 1.00 . A A . 5 TRP CB 1 1 9 4191 1 1 6 TRP CD1 C 6.523 3.008 -9.589 1.00 . A A . 5 TRP CD1 1 1 9 4192 1 1 6 TRP CD2 C 5.611 4.876 -10.515 1.00 . A A . 5 TRP CD2 1 1 9 4193 1 1 6 TRP CE2 C 5.979 3.963 -11.484 1.00 . A A . 5 TRP CE2 1 1 9 4194 1 1 6 TRP CE3 C 5.031 6.105 -10.836 1.00 . A A . 5 TRP CE3 1 1 9 4195 1 1 6 TRP CG C 6.009 4.195 -9.239 1.00 . A A . 5 TRP CG 1 1 9 4196 1 1 6 TRP CH2 C 5.294 5.471 -13.182 1.00 . A A . 5 TRP CH2 1 1 9 4197 1 1 6 TRP CZ2 C 5.833 4.225 -12.842 1.00 . A A . 5 TRP CZ2 1 1 9 4198 1 1 6 TRP CZ3 C 4.880 6.375 -12.197 1.00 . A A . 5 TRP CZ3 1 1 9 4199 1 1 6 TRP H H 3.718 2.802 -8.444 1.00 . A A . 5 TRP H 1 1 9 4200 1 1 6 TRP HA H 4.473 4.579 -6.179 1.00 . A A . 5 TRP HA 1 1 9 4201 1 1 6 TRP HB2 H 6.100 5.780 -7.802 1.00 . A A . 5 TRP HB2 1 1 9 4202 1 1 6 TRP HB3 H 6.627 4.185 -7.199 1.00 . A A . 5 TRP HB3 1 1 9 4203 1 1 6 TRP HD1 H 6.885 2.336 -8.823 1.00 . A A . 5 TRP HD1 1 1 9 4204 1 1 6 TRP HE1 H 6.818 2.034 -11.402 1.00 . A A . 5 TRP HE1 1 1 9 4205 1 1 6 TRP HE3 H 4.733 6.798 -10.061 1.00 . A A . 5 TRP HE3 1 1 9 4206 1 1 6 TRP HH2 H 5.206 5.751 -14.217 1.00 . A A . 5 TRP HH2 1 1 9 4207 1 1 6 TRP HZ2 H 6.124 3.518 -13.603 1.00 . A A . 5 TRP HZ2 1 1 9 4208 1 1 6 TRP HZ3 H 4.444 7.299 -12.534 1.00 . A A . 5 TRP HZ3 1 1 9 4209 1 1 6 TRP N N 4.119 3.001 -7.545 1.00 . A A . 5 TRP N 1 1 9 4210 1 1 6 TRP NE1 N 6.490 2.867 -10.889 1.00 . A A . 5 TRP NE1 1 1 9 4211 1 1 6 TRP O O 2.798 4.873 -8.809 1.00 . A A . 5 TRP O 1 1 9 4212 1 1 7 LEU C C 3.055 8.442 -8.899 1.00 . A A . 6 LEU C 1 1 9 4213 1 1 7 LEU CA C 2.393 7.495 -7.931 1.00 . A A . 6 LEU CA 1 1 9 4214 1 1 7 LEU CB C 1.749 8.328 -6.798 1.00 . A A . 6 LEU CB 1 1 9 4215 1 1 7 LEU CD1 C 1.984 7.250 -4.465 1.00 . A A . 6 LEU CD1 1 1 9 4216 1 1 7 LEU CD2 C -0.277 8.102 -5.284 1.00 . A A . 6 LEU CD2 1 1 9 4217 1 1 7 LEU CG C 1.067 7.452 -5.704 1.00 . A A . 6 LEU CG 1 1 9 4218 1 1 7 LEU H H 4.046 6.926 -6.749 1.00 . A A . 6 LEU H 1 1 9 4219 1 1 7 LEU HA H 1.571 6.951 -8.412 1.00 . A A . 6 LEU HA 1 1 9 4220 1 1 7 LEU HB2 H 2.501 8.991 -6.342 1.00 . A A . 6 LEU HB2 1 1 9 4221 1 1 7 LEU HB3 H 0.999 8.967 -7.291 1.00 . A A . 6 LEU HB3 1 1 9 4222 1 1 7 LEU HD11 H 1.436 6.734 -3.663 1.00 . A A . 6 LEU HD11 1 1 9 4223 1 1 7 LEU HD12 H 2.337 8.216 -4.075 1.00 . A A . 6 LEU HD12 1 1 9 4224 1 1 7 LEU HD13 H 2.853 6.629 -4.722 1.00 . A A . 6 LEU HD13 1 1 9 4225 1 1 7 LEU HD21 H -1.012 7.965 -6.093 1.00 . A A . 6 LEU HD21 1 1 9 4226 1 1 7 LEU HD22 H -0.145 9.179 -5.099 1.00 . A A . 6 LEU HD22 1 1 9 4227 1 1 7 LEU HD23 H -0.678 7.634 -4.373 1.00 . A A . 6 LEU HD23 1 1 9 4228 1 1 7 LEU HG H 0.830 6.453 -6.107 1.00 . A A . 6 LEU HG 1 1 9 4229 1 1 7 LEU N N 3.402 6.574 -7.426 1.00 . A A . 6 LEU N 1 1 9 4230 1 1 7 LEU O O 4.014 9.090 -8.513 1.00 . A A . 6 LEU O 1 1 9 4231 1 1 8 CYS C C 3.311 10.834 -10.627 1.00 . A A . 7 CYS C 1 1 9 4232 1 1 8 CYS CA C 3.248 9.410 -11.114 1.00 . A A . 7 CYS CA 1 1 9 4233 1 1 8 CYS CB C 2.481 9.353 -12.461 1.00 . A A . 7 CYS CB 1 1 9 4234 1 1 8 CYS H H 1.815 7.964 -10.469 1.00 . A A . 7 CYS H 1 1 9 4235 1 1 8 CYS HA H 4.289 9.083 -11.223 1.00 . A A . 7 CYS HA 1 1 9 4236 1 1 8 CYS HB2 H 2.354 8.320 -12.813 1.00 . A A . 7 CYS HB2 1 1 9 4237 1 1 8 CYS HB3 H 1.490 9.779 -12.294 1.00 . A A . 7 CYS HB3 1 1 9 4238 1 1 8 CYS N N 2.586 8.527 -10.161 1.00 . A A . 7 CYS N 1 1 9 4239 1 1 8 CYS O O 2.427 11.247 -9.895 1.00 . A A . 7 CYS O 1 1 9 4240 1 1 8 CYS SG S 3.211 10.343 -13.797 1.00 . A A . 7 CYS SG 1 1 9 4241 1 1 9 ASN C C 3.846 13.939 -11.610 1.00 . A A . 8 ASN C 1 1 9 4242 1 1 9 ASN CA C 4.472 12.991 -10.609 1.00 . A A . 8 ASN CA 1 1 9 4243 1 1 9 ASN CB C 5.977 13.308 -10.370 1.00 . A A . 8 ASN CB 1 1 9 4244 1 1 9 ASN CG C 6.236 13.897 -9.007 1.00 . A A . 8 ASN CG 1 1 9 4245 1 1 9 ASN H H 5.007 11.257 -11.718 1.00 . A A . 8 ASN H 1 1 9 4246 1 1 9 ASN HA H 3.925 13.139 -9.666 1.00 . A A . 8 ASN HA 1 1 9 4247 1 1 9 ASN HB2 H 6.556 12.375 -10.357 1.00 . A A . 8 ASN HB2 1 1 9 4248 1 1 9 ASN HB3 H 6.380 13.925 -11.187 1.00 . A A . 8 ASN HB3 1 1 9 4249 1 1 9 ASN HD21 H 7.364 15.477 -9.685 1.00 . A A . 8 ASN HD21 1 1 9 4250 1 1 9 ASN HD22 H 7.158 15.369 -7.971 1.00 . A A . 8 ASN HD22 1 1 9 4251 1 1 9 ASN N N 4.342 11.604 -11.052 1.00 . A A . 8 ASN N 1 1 9 4252 1 1 9 ASN ND2 N 6.981 15.013 -8.887 1.00 . A A . 8 ASN ND2 1 1 9 4253 1 1 9 ASN O O 4.279 15.074 -11.729 1.00 . A A . 8 ASN O 1 1 9 4254 1 1 9 ASN OD1 O 5.781 13.336 -8.023 1.00 . A A . 8 ASN OD1 1 1 9 4255 1 1 10 LYS C C 0.673 14.056 -13.328 1.00 . A A . 9 LYS C 1 1 9 4256 1 1 10 LYS CA C 2.169 14.276 -13.377 1.00 . A A . 9 LYS CA 1 1 9 4257 1 1 10 LYS CB C 2.749 13.861 -14.753 1.00 . A A . 9 LYS CB 1 1 9 4258 1 1 10 LYS CD C 3.922 15.562 -16.238 1.00 . A A . 9 LYS CD 1 1 9 4259 1 1 10 LYS CE C 3.794 16.627 -17.354 1.00 . A A . 9 LYS CE 1 1 9 4260 1 1 10 LYS CG C 2.554 14.953 -15.840 1.00 . A A . 9 LYS CG 1 1 9 4261 1 1 10 LYS H H 2.510 12.542 -12.217 1.00 . A A . 9 LYS H 1 1 9 4262 1 1 10 LYS HA H 2.367 15.343 -13.191 1.00 . A A . 9 LYS HA 1 1 9 4263 1 1 10 LYS HB2 H 3.818 13.640 -14.616 1.00 . A A . 9 LYS HB2 1 1 9 4264 1 1 10 LYS HB3 H 2.267 12.933 -15.084 1.00 . A A . 9 LYS HB3 1 1 9 4265 1 1 10 LYS HD2 H 4.406 16.008 -15.354 1.00 . A A . 9 LYS HD2 1 1 9 4266 1 1 10 LYS HD3 H 4.571 14.758 -16.620 1.00 . A A . 9 LYS HD3 1 1 9 4267 1 1 10 LYS HE2 H 4.816 16.934 -17.631 1.00 . A A . 9 LYS HE2 1 1 9 4268 1 1 10 LYS HE3 H 3.325 16.172 -18.241 1.00 . A A . 9 LYS HE3 1 1 9 4269 1 1 10 LYS HG2 H 2.101 14.501 -16.736 1.00 . A A . 9 LYS HG2 1 1 9 4270 1 1 10 LYS HG3 H 1.873 15.742 -15.484 1.00 . A A . 9 LYS HG3 1 1 9 4271 1 1 10 LYS HZ1 H 3.024 17.963 -15.858 1.00 . A A . 9 LYS HZ1 1 1 9 4272 1 1 10 LYS HZ2 H 1.990 17.751 -17.251 1.00 . A A . 9 LYS HZ2 1 1 9 4273 1 1 10 LYS HZ3 H 3.438 18.714 -17.361 1.00 . A A . 9 LYS HZ3 1 1 9 4274 1 1 10 LYS N N 2.812 13.473 -12.342 1.00 . A A . 9 LYS N 1 1 9 4275 1 1 10 LYS NZ N 3.019 17.817 -16.928 1.00 . A A . 9 LYS NZ 1 1 9 4276 1 1 10 LYS O O -0.055 15.033 -13.272 1.00 . A A . 9 LYS O 1 1 9 4277 1 1 11 CYS C C -1.502 11.798 -11.821 1.00 . A A . 10 CYS C 1 1 9 4278 1 1 11 CYS CA C -1.220 12.514 -13.130 1.00 . A A . 10 CYS CA 1 1 9 4279 1 1 11 CYS CB C -1.677 11.654 -14.324 1.00 . A A . 10 CYS CB 1 1 9 4280 1 1 11 CYS H H 0.790 12.006 -13.473 1.00 . A A . 10 CYS H 1 1 9 4281 1 1 11 CYS HA H -1.832 13.427 -13.156 1.00 . A A . 10 CYS HA 1 1 9 4282 1 1 11 CYS HB2 H -2.751 11.462 -14.253 1.00 . A A . 10 CYS HB2 1 1 9 4283 1 1 11 CYS HB3 H -1.451 12.142 -15.282 1.00 . A A . 10 CYS HB3 1 1 9 4284 1 1 11 CYS N N 0.196 12.791 -13.333 1.00 . A A . 10 CYS N 1 1 9 4285 1 1 11 CYS O O -2.660 11.506 -11.570 1.00 . A A . 10 CYS O 1 1 9 4286 1 1 11 CYS SG S -0.795 10.085 -14.260 1.00 . A A . 10 CYS SG 1 1 9 4287 1 1 12 CYS C C -1.306 9.433 -9.837 1.00 . A A . 11 CYS C 1 1 9 4288 1 1 12 CYS CA C -0.788 10.844 -9.683 1.00 . A A . 11 CYS CA 1 1 9 4289 1 1 12 CYS CB C -1.738 11.738 -8.850 1.00 . A A . 11 CYS CB 1 1 9 4290 1 1 12 CYS H H 0.454 11.727 -11.132 1.00 . A A . 11 CYS H 1 1 9 4291 1 1 12 CYS HA H 0.149 10.756 -9.113 1.00 . A A . 11 CYS HA 1 1 9 4292 1 1 12 CYS HB2 H -1.581 12.791 -9.137 1.00 . A A . 11 CYS HB2 1 1 9 4293 1 1 12 CYS HB3 H -2.790 11.472 -9.026 1.00 . A A . 11 CYS HB3 1 1 9 4294 1 1 12 CYS HG H -2.033 12.275 -6.745 1.00 . A A . 11 CYS HG 1 1 9 4295 1 1 12 CYS N N -0.501 11.497 -10.959 1.00 . A A . 11 CYS N 1 1 9 4296 1 1 12 CYS O O -1.880 8.906 -8.898 1.00 . A A . 11 CYS O 1 1 9 4297 1 1 12 CYS SG S -1.366 11.593 -7.071 1.00 . A A . 11 CYS SG 1 1 9 4298 1 1 13 LEU C C -0.714 6.442 -10.645 1.00 . A A . 12 LEU C 1 1 9 4299 1 1 13 LEU CA C -1.649 7.467 -11.236 1.00 . A A . 12 LEU CA 1 1 9 4300 1 1 13 LEU CB C -1.893 7.200 -12.746 1.00 . A A . 12 LEU CB 1 1 9 4301 1 1 13 LEU CD1 C -1.510 4.674 -13.277 1.00 . A A . 12 LEU CD1 1 1 9 4302 1 1 13 LEU CD2 C -3.734 5.394 -12.226 1.00 . A A . 12 LEU CD2 1 1 9 4303 1 1 13 LEU CG C -2.535 5.823 -13.107 1.00 . A A . 12 LEU CG 1 1 9 4304 1 1 13 LEU H H -0.620 9.221 -11.758 1.00 . A A . 12 LEU H 1 1 9 4305 1 1 13 LEU HA H -2.631 7.463 -10.746 1.00 . A A . 12 LEU HA 1 1 9 4306 1 1 13 LEU HB2 H -2.572 7.998 -13.087 1.00 . A A . 12 LEU HB2 1 1 9 4307 1 1 13 LEU HB3 H -0.948 7.301 -13.302 1.00 . A A . 12 LEU HB3 1 1 9 4308 1 1 13 LEU HD11 H -1.963 3.702 -13.037 1.00 . A A . 12 LEU HD11 1 1 9 4309 1 1 13 LEU HD12 H -0.651 4.825 -12.616 1.00 . A A . 12 LEU HD12 1 1 9 4310 1 1 13 LEU HD13 H -1.152 4.628 -14.317 1.00 . A A . 12 LEU HD13 1 1 9 4311 1 1 13 LEU HD21 H -4.448 4.811 -12.828 1.00 . A A . 12 LEU HD21 1 1 9 4312 1 1 13 LEU HD22 H -4.261 6.267 -11.827 1.00 . A A . 12 LEU HD22 1 1 9 4313 1 1 13 LEU HD23 H -3.416 4.757 -11.394 1.00 . A A . 12 LEU HD23 1 1 9 4314 1 1 13 LEU HG H -2.985 5.946 -14.097 1.00 . A A . 12 LEU HG 1 1 9 4315 1 1 13 LEU N N -1.115 8.799 -11.014 1.00 . A A . 12 LEU N 1 1 9 4316 1 1 13 LEU O O 0.482 6.508 -10.890 1.00 . A A . 12 LEU O 1 1 9 4317 1 1 14 ASN C C 0.047 3.481 -10.352 1.00 . A A . 13 ASN C 1 1 9 4318 1 1 14 ASN CA C -0.471 4.421 -9.285 1.00 . A A . 13 ASN CA 1 1 9 4319 1 1 14 ASN CB C -1.275 3.594 -8.236 1.00 . A A . 13 ASN CB 1 1 9 4320 1 1 14 ASN CG C -0.565 3.499 -6.910 1.00 . A A . 13 ASN CG 1 1 9 4321 1 1 14 ASN H H -2.242 5.541 -9.649 1.00 . A A . 13 ASN H 1 1 9 4322 1 1 14 ASN HA H 0.347 4.933 -8.772 1.00 . A A . 13 ASN HA 1 1 9 4323 1 1 14 ASN HB2 H -2.263 4.039 -8.049 1.00 . A A . 13 ASN HB2 1 1 9 4324 1 1 14 ASN HB3 H -1.452 2.566 -8.588 1.00 . A A . 13 ASN HB3 1 1 9 4325 1 1 14 ASN HD21 H -2.315 3.299 -5.840 1.00 . A A . 13 ASN HD21 1 1 9 4326 1 1 14 ASN HD22 H -0.858 3.311 -4.915 1.00 . A A . 13 ASN HD22 1 1 9 4327 1 1 14 ASN N N -1.273 5.492 -9.867 1.00 . A A . 13 ASN N 1 1 9 4328 1 1 14 ASN ND2 N -1.318 3.358 -5.800 1.00 . A A . 13 ASN ND2 1 1 9 4329 1 1 14 ASN O O -0.771 2.799 -10.950 1.00 . A A . 13 ASN O 1 1 9 4330 1 1 14 ASN OD1 O 0.652 3.544 -6.851 1.00 . A A . 13 ASN OD1 1 1 9 4331 1 1 15 ASN C C 2.800 1.450 -10.987 1.00 . A A . 14 ASN C 1 1 9 4332 1 1 15 ASN CA C 1.904 2.495 -11.609 1.00 . A A . 14 ASN CA 1 1 9 4333 1 1 15 ASN CB C 2.801 3.236 -12.620 1.00 . A A . 14 ASN CB 1 1 9 4334 1 1 15 ASN CG C 1.938 3.933 -13.624 1.00 . A A . 14 ASN CG 1 1 9 4335 1 1 15 ASN H H 2.026 3.978 -10.092 1.00 . A A . 14 ASN H 1 1 9 4336 1 1 15 ASN HA H 1.095 2.029 -12.190 1.00 . A A . 14 ASN HA 1 1 9 4337 1 1 15 ASN HB2 H 3.403 3.948 -12.049 1.00 . A A . 14 ASN HB2 1 1 9 4338 1 1 15 ASN HB3 H 3.480 2.555 -13.148 1.00 . A A . 14 ASN HB3 1 1 9 4339 1 1 15 ASN HD21 H 2.105 5.776 -12.700 1.00 . A A . 14 ASN HD21 1 1 9 4340 1 1 15 ASN HD22 H 1.053 5.660 -14.053 1.00 . A A . 14 ASN HD22 1 1 9 4341 1 1 15 ASN N N 1.373 3.414 -10.605 1.00 . A A . 14 ASN N 1 1 9 4342 1 1 15 ASN ND2 N 1.700 5.238 -13.439 1.00 . A A . 14 ASN ND2 1 1 9 4343 1 1 15 ASN O O 3.544 1.769 -10.073 1.00 . A A . 14 ASN O 1 1 9 4344 1 1 15 ASN OD1 O 1.464 3.310 -14.563 1.00 . A A . 14 ASN OD1 1 1 9 4345 1 1 16 PHE C C 5.025 -0.463 -10.823 1.00 . A A . 15 PHE C 1 1 9 4346 1 1 16 PHE CA C 3.583 -0.881 -11.037 1.00 . A A . 15 PHE CA 1 1 9 4347 1 1 16 PHE CB C 3.555 -2.117 -11.992 1.00 . A A . 15 PHE CB 1 1 9 4348 1 1 16 PHE CD1 C 3.911 -4.013 -10.322 1.00 . A A . 15 PHE CD1 1 1 9 4349 1 1 16 PHE CD2 C 1.862 -3.991 -11.572 1.00 . A A . 15 PHE CD2 1 1 9 4350 1 1 16 PHE CE1 C 3.533 -5.194 -9.687 1.00 . A A . 15 PHE CE1 1 1 9 4351 1 1 16 PHE CE2 C 1.493 -5.196 -10.968 1.00 . A A . 15 PHE CE2 1 1 9 4352 1 1 16 PHE CG C 3.096 -3.400 -11.278 1.00 . A A . 15 PHE CG 1 1 9 4353 1 1 16 PHE CZ C 2.316 -5.791 -10.009 1.00 . A A . 15 PHE CZ 1 1 9 4354 1 1 16 PHE H H 2.017 -0.020 -12.159 1.00 . A A . 15 PHE H 1 1 9 4355 1 1 16 PHE HA H 3.146 -1.195 -10.086 1.00 . A A . 15 PHE HA 1 1 9 4356 1 1 16 PHE HB2 H 2.898 -1.955 -12.860 1.00 . A A . 15 PHE HB2 1 1 9 4357 1 1 16 PHE HB3 H 4.558 -2.292 -12.408 1.00 . A A . 15 PHE HB3 1 1 9 4358 1 1 16 PHE HD1 H 4.856 -3.587 -10.045 1.00 . A A . 15 PHE HD1 1 1 9 4359 1 1 16 PHE HD2 H 1.179 -3.525 -12.273 1.00 . A A . 15 PHE HD2 1 1 9 4360 1 1 16 PHE HE1 H 4.188 -5.643 -8.946 1.00 . A A . 15 PHE HE1 1 1 9 4361 1 1 16 PHE HE2 H 0.561 -5.675 -11.246 1.00 . A A . 15 PHE HE2 1 1 9 4362 1 1 16 PHE HZ H 2.016 -6.708 -9.516 1.00 . A A . 15 PHE HZ 1 1 9 4363 1 1 16 PHE N N 2.731 0.205 -11.509 1.00 . A A . 15 PHE N 1 1 9 4364 1 1 16 PHE O O 5.572 0.275 -11.629 1.00 . A A . 15 PHE O 1 1 9 4365 1 1 17 ARG C C 7.986 -1.300 -10.615 1.00 . A A . 16 ARG C 1 1 9 4366 1 1 17 ARG CA C 7.107 -0.696 -9.556 1.00 . A A . 16 ARG CA 1 1 9 4367 1 1 17 ARG CB C 7.651 -1.212 -8.205 1.00 . A A . 16 ARG CB 1 1 9 4368 1 1 17 ARG CD C 8.424 -0.622 -5.830 1.00 . A A . 16 ARG CD 1 1 9 4369 1 1 17 ARG CG C 7.648 -0.135 -7.088 1.00 . A A . 16 ARG CG 1 1 9 4370 1 1 17 ARG CZ C 8.073 -0.965 -3.431 1.00 . A A . 16 ARG CZ 1 1 9 4371 1 1 17 ARG H H 5.189 -1.516 -9.073 1.00 . A A . 16 ARG H 1 1 9 4372 1 1 17 ARG HA H 7.300 0.369 -9.657 1.00 . A A . 16 ARG HA 1 1 9 4373 1 1 17 ARG HB2 H 7.048 -2.076 -7.926 1.00 . A A . 16 ARG HB2 1 1 9 4374 1 1 17 ARG HB3 H 8.684 -1.566 -8.337 1.00 . A A . 16 ARG HB3 1 1 9 4375 1 1 17 ARG HD2 H 8.628 -1.689 -5.970 1.00 . A A . 16 ARG HD2 1 1 9 4376 1 1 17 ARG HD3 H 9.390 -0.097 -5.783 1.00 . A A . 16 ARG HD3 1 1 9 4377 1 1 17 ARG HE H 6.900 0.222 -4.583 1.00 . A A . 16 ARG HE 1 1 9 4378 1 1 17 ARG HG2 H 8.149 0.773 -7.452 1.00 . A A . 16 ARG HG2 1 1 9 4379 1 1 17 ARG HG3 H 6.606 0.119 -6.867 1.00 . A A . 16 ARG HG3 1 1 9 4380 1 1 17 ARG HH11 H 9.743 -1.952 -4.089 1.00 . A A . 16 ARG HH11 1 1 9 4381 1 1 17 ARG HH12 H 9.348 -2.179 -2.400 1.00 . A A . 16 ARG HH12 1 1 9 4382 1 1 17 ARG HH21 H 6.508 -0.141 -2.406 1.00 . A A . 16 ARG HH21 1 1 9 4383 1 1 17 ARG HH22 H 7.580 -1.166 -1.459 1.00 . A A . 16 ARG HH22 1 1 9 4384 1 1 17 ARG N N 5.678 -0.957 -9.747 1.00 . A A . 16 ARG N 1 1 9 4385 1 1 17 ARG NE N 7.722 -0.398 -4.564 1.00 . A A . 16 ARG NE 1 1 9 4386 1 1 17 ARG NH1 N 9.118 -1.745 -3.304 1.00 . A A . 16 ARG NH1 1 1 9 4387 1 1 17 ARG NH2 N 7.345 -0.739 -2.366 1.00 . A A . 16 ARG NH2 1 1 9 4388 1 1 17 ARG O O 9.054 -0.773 -10.875 1.00 . A A . 16 ARG O 1 1 9 4389 1 1 18 LYS C C 8.307 -2.087 -13.550 1.00 . A A . 17 LYS C 1 1 9 4390 1 1 18 LYS CA C 8.325 -2.971 -12.335 1.00 . A A . 17 LYS CA 1 1 9 4391 1 1 18 LYS CB C 7.739 -4.361 -12.705 1.00 . A A . 17 LYS CB 1 1 9 4392 1 1 18 LYS CD C 9.729 -5.780 -11.974 1.00 . A A . 17 LYS CD 1 1 9 4393 1 1 18 LYS CE C 9.899 -7.242 -12.453 1.00 . A A . 17 LYS CE 1 1 9 4394 1 1 18 LYS CG C 8.245 -5.410 -11.685 1.00 . A A . 17 LYS CG 1 1 9 4395 1 1 18 LYS H H 6.674 -2.791 -11.016 1.00 . A A . 17 LYS H 1 1 9 4396 1 1 18 LYS HA H 9.375 -3.053 -12.015 1.00 . A A . 17 LYS HA 1 1 9 4397 1 1 18 LYS HB2 H 6.638 -4.329 -12.705 1.00 . A A . 17 LYS HB2 1 1 9 4398 1 1 18 LYS HB3 H 8.044 -4.667 -13.718 1.00 . A A . 17 LYS HB3 1 1 9 4399 1 1 18 LYS HD2 H 10.174 -5.135 -12.747 1.00 . A A . 17 LYS HD2 1 1 9 4400 1 1 18 LYS HD3 H 10.314 -5.642 -11.052 1.00 . A A . 17 LYS HD3 1 1 9 4401 1 1 18 LYS HE2 H 10.978 -7.429 -12.581 1.00 . A A . 17 LYS HE2 1 1 9 4402 1 1 18 LYS HE3 H 9.521 -7.924 -11.675 1.00 . A A . 17 LYS HE3 1 1 9 4403 1 1 18 LYS HG2 H 8.149 -4.992 -10.671 1.00 . A A . 17 LYS HG2 1 1 9 4404 1 1 18 LYS HG3 H 7.599 -6.300 -11.724 1.00 . A A . 17 LYS HG3 1 1 9 4405 1 1 18 LYS HZ1 H 9.424 -8.533 -14.041 1.00 . A A . 17 LYS HZ1 1 1 9 4406 1 1 18 LYS HZ2 H 9.593 -6.863 -14.523 1.00 . A A . 17 LYS HZ2 1 1 9 4407 1 1 18 LYS HZ3 H 8.151 -7.415 -13.708 1.00 . A A . 17 LYS HZ3 1 1 9 4408 1 1 18 LYS N N 7.550 -2.398 -11.248 1.00 . A A . 17 LYS N 1 1 9 4409 1 1 18 LYS NZ N 9.226 -7.513 -13.742 1.00 . A A . 17 LYS NZ 1 1 9 4410 1 1 18 LYS O O 9.025 -2.398 -14.487 1.00 . A A . 17 LYS O 1 1 9 4411 1 1 19 ARG C C 8.438 0.973 -14.584 1.00 . A A . 18 ARG C 1 1 9 4412 1 1 19 ARG CA C 7.463 -0.163 -14.750 1.00 . A A . 18 ARG CA 1 1 9 4413 1 1 19 ARG CB C 6.044 0.442 -14.920 1.00 . A A . 18 ARG CB 1 1 9 4414 1 1 19 ARG CD C 4.440 1.222 -16.764 1.00 . A A . 18 ARG CD 1 1 9 4415 1 1 19 ARG CG C 5.352 0.075 -16.257 1.00 . A A . 18 ARG CG 1 1 9 4416 1 1 19 ARG CZ C 2.183 0.419 -16.303 1.00 . A A . 18 ARG CZ 1 1 9 4417 1 1 19 ARG H H 6.984 -0.691 -12.780 1.00 . A A . 18 ARG H 1 1 9 4418 1 1 19 ARG HA H 7.746 -0.748 -15.637 1.00 . A A . 18 ARG HA 1 1 9 4419 1 1 19 ARG HB2 H 5.377 0.100 -14.118 1.00 . A A . 18 ARG HB2 1 1 9 4420 1 1 19 ARG HB3 H 6.137 1.527 -14.814 1.00 . A A . 18 ARG HB3 1 1 9 4421 1 1 19 ARG HD2 H 4.303 2.051 -16.054 1.00 . A A . 18 ARG HD2 1 1 9 4422 1 1 19 ARG HD3 H 4.927 1.647 -17.657 1.00 . A A . 18 ARG HD3 1 1 9 4423 1 1 19 ARG HE H 2.962 0.612 -18.169 1.00 . A A . 18 ARG HE 1 1 9 4424 1 1 19 ARG HG2 H 6.079 -0.143 -17.054 1.00 . A A . 18 ARG HG2 1 1 9 4425 1 1 19 ARG HG3 H 4.754 -0.835 -16.095 1.00 . A A . 18 ARG HG3 1 1 9 4426 1 1 19 ARG HH11 H 3.224 0.744 -14.582 1.00 . A A . 18 ARG HH11 1 1 9 4427 1 1 19 ARG HH12 H 1.550 0.284 -14.381 1.00 . A A . 18 ARG HH12 1 1 9 4428 1 1 19 ARG HH21 H 0.831 -0.033 -17.763 1.00 . A A . 18 ARG HH21 1 1 9 4429 1 1 19 ARG HH22 H 0.239 -0.174 -16.111 1.00 . A A . 18 ARG HH22 1 1 9 4430 1 1 19 ARG N N 7.512 -0.998 -13.568 1.00 . A A . 18 ARG N 1 1 9 4431 1 1 19 ARG NE N 3.137 0.703 -17.158 1.00 . A A . 18 ARG NE 1 1 9 4432 1 1 19 ARG NH1 N 2.333 0.489 -15.008 1.00 . A A . 18 ARG NH1 1 1 9 4433 1 1 19 ARG NH2 N 1.013 0.045 -16.753 1.00 . A A . 18 ARG NH2 1 1 9 4434 1 1 19 ARG O O 8.908 1.215 -13.484 1.00 . A A . 18 ARG O 1 1 9 4435 1 1 20 LEU C C 8.984 3.987 -16.377 1.00 . A A . 19 LEU C 1 1 9 4436 1 1 20 LEU CA C 9.621 2.822 -15.660 1.00 . A A . 19 LEU CA 1 1 9 4437 1 1 20 LEU CB C 10.917 2.402 -16.394 1.00 . A A . 19 LEU CB 1 1 9 4438 1 1 20 LEU CD1 C 12.460 0.404 -16.584 1.00 . A A . 19 LEU CD1 1 1 9 4439 1 1 20 LEU CD2 C 12.767 2.071 -14.630 1.00 . A A . 19 LEU CD2 1 1 9 4440 1 1 20 LEU CG C 11.763 1.370 -15.590 1.00 . A A . 19 LEU CG 1 1 9 4441 1 1 20 LEU H H 8.325 1.426 -16.584 1.00 . A A . 19 LEU H 1 1 9 4442 1 1 20 LEU HA H 9.861 3.151 -14.642 1.00 . A A . 19 LEU HA 1 1 9 4443 1 1 20 LEU HB2 H 10.595 1.971 -17.354 1.00 . A A . 19 LEU HB2 1 1 9 4444 1 1 20 LEU HB3 H 11.541 3.278 -16.622 1.00 . A A . 19 LEU HB3 1 1 9 4445 1 1 20 LEU HD11 H 11.724 -0.347 -16.915 1.00 . A A . 19 LEU HD11 1 1 9 4446 1 1 20 LEU HD12 H 13.300 -0.129 -16.117 1.00 . A A . 19 LEU HD12 1 1 9 4447 1 1 20 LEU HD13 H 12.832 0.946 -17.466 1.00 . A A . 19 LEU HD13 1 1 9 4448 1 1 20 LEU HD21 H 12.238 2.406 -13.725 1.00 . A A . 19 LEU HD21 1 1 9 4449 1 1 20 LEU HD22 H 13.251 2.944 -15.094 1.00 . A A . 19 LEU HD22 1 1 9 4450 1 1 20 LEU HD23 H 13.561 1.377 -14.316 1.00 . A A . 19 LEU HD23 1 1 9 4451 1 1 20 LEU HG H 11.115 0.737 -14.965 1.00 . A A . 19 LEU HG 1 1 9 4452 1 1 20 LEU N N 8.718 1.680 -15.698 1.00 . A A . 19 LEU N 1 1 9 4453 1 1 20 LEU O O 9.705 4.852 -16.841 1.00 . A A . 19 LEU O 1 1 9 4454 1 1 21 LYS C C 5.559 5.120 -17.062 1.00 . A A . 20 LYS C 1 1 9 4455 1 1 21 LYS CA C 7.050 5.172 -17.202 1.00 . A A . 20 LYS CA 1 1 9 4456 1 1 21 LYS CB C 7.392 5.237 -18.710 1.00 . A A . 20 LYS CB 1 1 9 4457 1 1 21 LYS CD C 8.150 3.537 -20.447 1.00 . A A . 20 LYS CD 1 1 9 4458 1 1 21 LYS CE C 7.774 2.264 -21.249 1.00 . A A . 20 LYS CE 1 1 9 4459 1 1 21 LYS CG C 7.053 3.899 -19.418 1.00 . A A . 20 LYS CG 1 1 9 4460 1 1 21 LYS H H 7.018 3.390 -16.082 1.00 . A A . 20 LYS H 1 1 9 4461 1 1 21 LYS HA H 7.422 6.060 -16.685 1.00 . A A . 20 LYS HA 1 1 9 4462 1 1 21 LYS HB2 H 6.826 6.057 -19.180 1.00 . A A . 20 LYS HB2 1 1 9 4463 1 1 21 LYS HB3 H 8.459 5.474 -18.822 1.00 . A A . 20 LYS HB3 1 1 9 4464 1 1 21 LYS HD2 H 8.313 4.373 -21.146 1.00 . A A . 20 LYS HD2 1 1 9 4465 1 1 21 LYS HD3 H 9.075 3.358 -19.876 1.00 . A A . 20 LYS HD3 1 1 9 4466 1 1 21 LYS HE2 H 7.266 1.547 -20.584 1.00 . A A . 20 LYS HE2 1 1 9 4467 1 1 21 LYS HE3 H 7.056 2.554 -22.035 1.00 . A A . 20 LYS HE3 1 1 9 4468 1 1 21 LYS HG2 H 7.020 3.075 -18.690 1.00 . A A . 20 LYS HG2 1 1 9 4469 1 1 21 LYS HG3 H 6.066 3.970 -19.904 1.00 . A A . 20 LYS HG3 1 1 9 4470 1 1 21 LYS HZ1 H 8.830 1.438 -22.904 1.00 . A A . 20 LYS HZ1 1 1 9 4471 1 1 21 LYS HZ2 H 9.144 0.644 -21.388 1.00 . A A . 20 LYS HZ2 1 1 9 4472 1 1 21 LYS HZ3 H 9.876 2.173 -21.744 1.00 . A A . 20 LYS HZ3 1 1 9 4473 1 1 21 LYS N N 7.642 4.052 -16.491 1.00 . A A . 20 LYS N 1 1 9 4474 1 1 21 LYS NZ N 8.961 1.608 -21.845 1.00 . A A . 20 LYS NZ 1 1 9 4475 1 1 21 LYS O O 4.968 4.076 -17.275 1.00 . A A . 20 LYS O 1 1 9 4476 1 1 22 CYS C C 2.744 5.762 -17.634 1.00 . A A . 21 CYS C 1 1 9 4477 1 1 22 CYS CA C 3.514 6.183 -16.410 1.00 . A A . 21 CYS CA 1 1 9 4478 1 1 22 CYS CB C 3.101 7.589 -15.952 1.00 . A A . 21 CYS CB 1 1 9 4479 1 1 22 CYS H H 5.412 7.112 -16.558 1.00 . A A . 21 CYS H 1 1 9 4480 1 1 22 CYS HA H 3.331 5.481 -15.583 1.00 . A A . 21 CYS HA 1 1 9 4481 1 1 22 CYS HB2 H 3.621 7.849 -15.019 1.00 . A A . 21 CYS HB2 1 1 9 4482 1 1 22 CYS HB3 H 3.290 8.349 -16.724 1.00 . A A . 21 CYS HB3 1 1 9 4483 1 1 22 CYS N N 4.931 6.239 -16.679 1.00 . A A . 21 CYS N 1 1 9 4484 1 1 22 CYS O O 2.946 6.350 -18.682 1.00 . A A . 21 CYS O 1 1 9 4485 1 1 22 CYS SG S 1.341 7.505 -15.662 1.00 . A A . 21 CYS SG 1 1 9 4486 1 1 23 PHE C C -0.078 5.233 -18.977 1.00 . A A . 22 PHE C 1 1 9 4487 1 1 23 PHE CA C 1.095 4.324 -18.702 1.00 . A A . 22 PHE CA 1 1 9 4488 1 1 23 PHE CB C 0.583 2.892 -18.422 1.00 . A A . 22 PHE CB 1 1 9 4489 1 1 23 PHE CD1 C 1.423 1.804 -20.554 1.00 . A A . 22 PHE CD1 1 1 9 4490 1 1 23 PHE CD2 C -0.909 1.546 -19.987 1.00 . A A . 22 PHE CD2 1 1 9 4491 1 1 23 PHE CE1 C 1.222 1.077 -21.727 1.00 . A A . 22 PHE CE1 1 1 9 4492 1 1 23 PHE CE2 C -1.106 0.795 -21.147 1.00 . A A . 22 PHE CE2 1 1 9 4493 1 1 23 PHE CG C 0.355 2.064 -19.690 1.00 . A A . 22 PHE CG 1 1 9 4494 1 1 23 PHE CZ C -0.043 0.569 -22.024 1.00 . A A . 22 PHE CZ 1 1 9 4495 1 1 23 PHE H H 1.677 4.315 -16.642 1.00 . A A . 22 PHE H 1 1 9 4496 1 1 23 PHE HA H 1.759 4.326 -19.579 1.00 . A A . 22 PHE HA 1 1 9 4497 1 1 23 PHE HB2 H 1.375 2.376 -17.875 1.00 . A A . 22 PHE HB2 1 1 9 4498 1 1 23 PHE HB3 H -0.308 2.925 -17.777 1.00 . A A . 22 PHE HB3 1 1 9 4499 1 1 23 PHE HD1 H 2.420 2.162 -20.322 1.00 . A A . 22 PHE HD1 1 1 9 4500 1 1 23 PHE HD2 H -1.747 1.720 -19.319 1.00 . A A . 22 PHE HD2 1 1 9 4501 1 1 23 PHE HE1 H 2.049 0.908 -22.409 1.00 . A A . 22 PHE HE1 1 1 9 4502 1 1 23 PHE HE2 H -2.086 0.387 -21.370 1.00 . A A . 22 PHE HE2 1 1 9 4503 1 1 23 PHE HZ H -0.200 0.000 -22.934 1.00 . A A . 22 PHE HZ 1 1 9 4504 1 1 23 PHE N N 1.856 4.750 -17.529 1.00 . A A . 22 PHE N 1 1 9 4505 1 1 23 PHE O O -0.590 5.240 -20.083 1.00 . A A . 22 PHE O 1 1 9 4506 1 1 24 ARG C C -1.262 8.117 -18.928 1.00 . A A . 23 ARG C 1 1 9 4507 1 1 24 ARG CA C -1.647 6.898 -18.116 1.00 . A A . 23 ARG CA 1 1 9 4508 1 1 24 ARG CB C -2.178 7.310 -16.712 1.00 . A A . 23 ARG CB 1 1 9 4509 1 1 24 ARG CD C -4.093 8.792 -15.702 1.00 . A A . 23 ARG CD 1 1 9 4510 1 1 24 ARG CG C -3.670 7.728 -16.760 1.00 . A A . 23 ARG CG 1 1 9 4511 1 1 24 ARG CZ C -5.391 9.062 -13.643 1.00 . A A . 23 ARG CZ 1 1 9 4512 1 1 24 ARG H H -0.094 5.935 -17.064 1.00 . A A . 23 ARG H 1 1 9 4513 1 1 24 ARG HA H -2.445 6.340 -18.631 1.00 . A A . 23 ARG HA 1 1 9 4514 1 1 24 ARG HB2 H -2.084 6.440 -16.055 1.00 . A A . 23 ARG HB2 1 1 9 4515 1 1 24 ARG HB3 H -1.554 8.104 -16.287 1.00 . A A . 23 ARG HB3 1 1 9 4516 1 1 24 ARG HD2 H -3.221 9.362 -15.365 1.00 . A A . 23 ARG HD2 1 1 9 4517 1 1 24 ARG HD3 H -4.768 9.472 -16.242 1.00 . A A . 23 ARG HD3 1 1 9 4518 1 1 24 ARG HE H -4.858 7.267 -14.412 1.00 . A A . 23 ARG HE 1 1 9 4519 1 1 24 ARG HG2 H -3.841 8.173 -17.751 1.00 . A A . 23 ARG HG2 1 1 9 4520 1 1 24 ARG HG3 H -4.300 6.827 -16.688 1.00 . A A . 23 ARG HG3 1 1 9 4521 1 1 24 ARG HH11 H -4.955 10.868 -14.493 1.00 . A A . 23 ARG HH11 1 1 9 4522 1 1 24 ARG HH12 H -5.864 10.940 -12.999 1.00 . A A . 23 ARG HH12 1 1 9 4523 1 1 24 ARG HH21 H -6.074 7.492 -12.533 1.00 . A A . 23 ARG HH21 1 1 9 4524 1 1 24 ARG HH22 H -6.466 9.085 -11.906 1.00 . A A . 23 ARG HH22 1 1 9 4525 1 1 24 ARG N N -0.518 5.996 -17.957 1.00 . A A . 23 ARG N 1 1 9 4526 1 1 24 ARG NE N -4.809 8.286 -14.529 1.00 . A A . 23 ARG NE 1 1 9 4527 1 1 24 ARG NH1 N -5.398 10.369 -13.717 1.00 . A A . 23 ARG NH1 1 1 9 4528 1 1 24 ARG NH2 N -6.011 8.512 -12.630 1.00 . A A . 23 ARG NH2 1 1 9 4529 1 1 24 ARG O O -1.793 8.282 -20.014 1.00 . A A . 23 ARG O 1 1 9 4530 1 1 25 CYS C C 1.138 9.799 -20.152 1.00 . A A . 24 CYS C 1 1 9 4531 1 1 25 CYS CA C 0.037 10.169 -19.187 1.00 . A A . 24 CYS CA 1 1 9 4532 1 1 25 CYS CB C 0.394 11.360 -18.249 1.00 . A A . 24 CYS CB 1 1 9 4533 1 1 25 CYS H H 0.128 8.831 -17.580 1.00 . A A . 24 CYS H 1 1 9 4534 1 1 25 CYS HA H -0.822 10.528 -19.775 1.00 . A A . 24 CYS HA 1 1 9 4535 1 1 25 CYS HB2 H 0.587 12.263 -18.848 1.00 . A A . 24 CYS HB2 1 1 9 4536 1 1 25 CYS HB3 H -0.460 11.553 -17.584 1.00 . A A . 24 CYS HB3 1 1 9 4537 1 1 25 CYS N N -0.351 8.989 -18.433 1.00 . A A . 24 CYS N 1 1 9 4538 1 1 25 CYS O O 1.346 10.552 -21.091 1.00 . A A . 24 CYS O 1 1 9 4539 1 1 25 CYS SG S 1.840 11.138 -17.172 1.00 . A A . 24 CYS SG 1 1 9 4540 1 1 26 GLY C C 4.258 8.872 -20.405 1.00 . A A . 25 GLY C 1 1 9 4541 1 1 26 GLY CA C 2.935 8.319 -20.880 1.00 . A A . 25 GLY CA 1 1 9 4542 1 1 26 GLY H H 1.733 8.048 -19.183 1.00 . A A . 25 GLY H 1 1 9 4543 1 1 26 GLY HA2 H 3.013 7.224 -20.966 1.00 . A A . 25 GLY HA2 1 1 9 4544 1 1 26 GLY HA3 H 2.731 8.699 -21.892 1.00 . A A . 25 GLY HA3 1 1 9 4545 1 1 26 GLY N N 1.855 8.664 -19.963 1.00 . A A . 25 GLY N 1 1 9 4546 1 1 26 GLY O O 5.277 8.485 -20.952 1.00 . A A . 25 GLY O 1 1 9 4547 1 1 27 ALA C C 6.265 9.596 -18.007 1.00 . A A . 26 ALA C 1 1 9 4548 1 1 27 ALA CA C 5.514 10.434 -19.008 1.00 . A A . 26 ALA CA 1 1 9 4549 1 1 27 ALA CB C 5.218 11.821 -18.388 1.00 . A A . 26 ALA CB 1 1 9 4550 1 1 27 ALA H H 3.451 10.058 -18.927 1.00 . A A . 26 ALA H 1 1 9 4551 1 1 27 ALA HA H 6.140 10.592 -19.900 1.00 . A A . 26 ALA HA 1 1 9 4552 1 1 27 ALA HB1 H 4.514 12.374 -19.028 1.00 . A A . 26 ALA HB1 1 1 9 4553 1 1 27 ALA HB2 H 4.779 11.703 -17.386 1.00 . A A . 26 ALA HB2 1 1 9 4554 1 1 27 ALA HB3 H 6.145 12.406 -18.299 1.00 . A A . 26 ALA HB3 1 1 9 4555 1 1 27 ALA N N 4.273 9.788 -19.411 1.00 . A A . 26 ALA N 1 1 9 4556 1 1 27 ALA O O 5.717 8.656 -17.454 1.00 . A A . 26 ALA O 1 1 9 4557 1 1 28 ASP C C 7.876 9.323 -15.429 1.00 . A A . 27 ASP C 1 1 9 4558 1 1 28 ASP CA C 8.343 9.127 -16.855 1.00 . A A . 27 ASP CA 1 1 9 4559 1 1 28 ASP CB C 9.860 9.400 -16.996 1.00 . A A . 27 ASP CB 1 1 9 4560 1 1 28 ASP CG C 10.624 8.131 -16.732 1.00 . A A . 27 ASP CG 1 1 9 4561 1 1 28 ASP H H 7.968 10.723 -18.216 1.00 . A A . 27 ASP H 1 1 9 4562 1 1 28 ASP HA H 8.192 8.088 -17.162 1.00 . A A . 27 ASP HA 1 1 9 4563 1 1 28 ASP HB2 H 10.098 9.720 -18.022 1.00 . A A . 27 ASP HB2 1 1 9 4564 1 1 28 ASP HB3 H 10.165 10.192 -16.296 1.00 . A A . 27 ASP HB3 1 1 9 4565 1 1 28 ASP N N 7.548 9.935 -17.767 1.00 . A A . 27 ASP N 1 1 9 4566 1 1 28 ASP O O 7.035 10.172 -15.184 1.00 . A A . 27 ASP O 1 1 9 4567 1 1 28 ASP OD1 O 10.652 7.707 -15.542 1.00 . A A . 27 ASP OD1 1 1 9 4568 1 1 28 ASP OD2 O 11.180 7.549 -17.702 1.00 . A A . 27 ASP OD2 1 1 9 4569 1 1 29 LYS C C 8.205 10.055 -12.573 1.00 . A A . 28 LYS C 1 1 9 4570 1 1 29 LYS CA C 7.976 8.656 -13.078 1.00 . A A . 28 LYS CA 1 1 9 4571 1 1 29 LYS CB C 8.784 7.704 -12.154 1.00 . A A . 28 LYS CB 1 1 9 4572 1 1 29 LYS CD C 9.705 5.285 -12.036 1.00 . A A . 28 LYS CD 1 1 9 4573 1 1 29 LYS CE C 9.562 4.853 -10.551 1.00 . A A . 28 LYS CE 1 1 9 4574 1 1 29 LYS CG C 8.579 6.222 -12.542 1.00 . A A . 28 LYS CG 1 1 9 4575 1 1 29 LYS H H 9.176 7.939 -14.697 1.00 . A A . 28 LYS H 1 1 9 4576 1 1 29 LYS HA H 6.904 8.409 -13.015 1.00 . A A . 28 LYS HA 1 1 9 4577 1 1 29 LYS HB2 H 9.855 7.941 -12.224 1.00 . A A . 28 LYS HB2 1 1 9 4578 1 1 29 LYS HB3 H 8.470 7.848 -11.108 1.00 . A A . 28 LYS HB3 1 1 9 4579 1 1 29 LYS HD2 H 9.610 4.364 -12.629 1.00 . A A . 28 LYS HD2 1 1 9 4580 1 1 29 LYS HD3 H 10.700 5.704 -12.254 1.00 . A A . 28 LYS HD3 1 1 9 4581 1 1 29 LYS HE2 H 8.502 4.811 -10.267 1.00 . A A . 28 LYS HE2 1 1 9 4582 1 1 29 LYS HE3 H 9.953 3.824 -10.486 1.00 . A A . 28 LYS HE3 1 1 9 4583 1 1 29 LYS HG2 H 7.618 5.923 -12.124 1.00 . A A . 28 LYS HG2 1 1 9 4584 1 1 29 LYS HG3 H 8.515 6.084 -13.631 1.00 . A A . 28 LYS HG3 1 1 9 4585 1 1 29 LYS HZ1 H 10.778 5.062 -8.841 1.00 . A A . 28 LYS HZ1 1 1 9 4586 1 1 29 LYS HZ2 H 9.626 6.346 -9.037 1.00 . A A . 28 LYS HZ2 1 1 9 4587 1 1 29 LYS HZ3 H 11.074 6.303 -10.011 1.00 . A A . 28 LYS HZ3 1 1 9 4588 1 1 29 LYS N N 8.427 8.560 -14.463 1.00 . A A . 28 LYS N 1 1 9 4589 1 1 29 LYS NZ N 10.296 5.692 -9.576 1.00 . A A . 28 LYS NZ 1 1 9 4590 1 1 29 LYS O O 7.272 10.683 -12.097 1.00 . A A . 28 LYS O 1 1 9 4591 1 1 30 PHE C C 9.804 12.811 -13.390 1.00 . A A . 29 PHE C 1 1 9 4592 1 1 30 PHE CA C 9.791 11.877 -12.206 1.00 . A A . 29 PHE CA 1 1 9 4593 1 1 30 PHE CB C 11.187 11.837 -11.511 1.00 . A A . 29 PHE CB 1 1 9 4594 1 1 30 PHE CD1 C 10.536 11.600 -9.084 1.00 . A A . 29 PHE CD1 1 1 9 4595 1 1 30 PHE CD2 C 11.585 13.665 -9.775 1.00 . A A . 29 PHE CD2 1 1 9 4596 1 1 30 PHE CE1 C 10.466 12.071 -7.772 1.00 . A A . 29 PHE CE1 1 1 9 4597 1 1 30 PHE CE2 C 11.519 14.135 -8.461 1.00 . A A . 29 PHE CE2 1 1 9 4598 1 1 30 PHE CG C 11.102 12.391 -10.087 1.00 . A A . 29 PHE CG 1 1 9 4599 1 1 30 PHE CZ C 10.959 13.339 -7.459 1.00 . A A . 29 PHE CZ 1 1 9 4600 1 1 30 PHE H H 10.170 10.033 -13.175 1.00 . A A . 29 PHE H 1 1 9 4601 1 1 30 PHE HA H 9.047 12.246 -11.484 1.00 . A A . 29 PHE HA 1 1 9 4602 1 1 30 PHE HB2 H 11.542 10.799 -11.413 1.00 . A A . 29 PHE HB2 1 1 9 4603 1 1 30 PHE HB3 H 11.954 12.376 -12.085 1.00 . A A . 29 PHE HB3 1 1 9 4604 1 1 30 PHE HD1 H 10.146 10.615 -9.323 1.00 . A A . 29 PHE HD1 1 1 9 4605 1 1 30 PHE HD2 H 12.014 14.295 -10.546 1.00 . A A . 29 PHE HD2 1 1 9 4606 1 1 30 PHE HE1 H 10.029 11.450 -6.997 1.00 . A A . 29 PHE HE1 1 1 9 4607 1 1 30 PHE HE2 H 11.901 15.121 -8.218 1.00 . A A . 29 PHE HE2 1 1 9 4608 1 1 30 PHE HZ H 10.907 13.704 -6.440 1.00 . A A . 29 PHE HZ 1 1 9 4609 1 1 30 PHE N N 9.460 10.542 -12.688 1.00 . A A . 29 PHE N 1 1 9 4610 1 1 30 PHE O O 10.452 13.840 -13.313 1.00 . A A . 29 PHE O 1 1 9 4611 1 1 31 ASP C C 10.584 13.411 -16.352 1.00 . A A . 30 ASP C 1 1 9 4612 1 1 31 ASP CA C 9.210 13.289 -15.721 1.00 . A A . 30 ASP CA 1 1 9 4613 1 1 31 ASP CB C 8.556 14.665 -15.462 1.00 . A A . 30 ASP CB 1 1 9 4614 1 1 31 ASP CG C 8.194 15.344 -16.756 1.00 . A A . 30 ASP CG 1 1 9 4615 1 1 31 ASP H H 8.548 11.666 -14.563 1.00 . A A . 30 ASP H 1 1 9 4616 1 1 31 ASP HA H 8.588 12.781 -16.477 1.00 . A A . 30 ASP HA 1 1 9 4617 1 1 31 ASP HB2 H 7.633 14.513 -14.883 1.00 . A A . 30 ASP HB2 1 1 9 4618 1 1 31 ASP HB3 H 9.234 15.311 -14.885 1.00 . A A . 30 ASP HB3 1 1 9 4619 1 1 31 ASP N N 9.140 12.469 -14.515 1.00 . A A . 30 ASP N 1 1 9 4620 1 1 31 ASP O O 10.629 13.596 -17.557 1.00 . A A . 30 ASP O 1 1 9 4621 1 1 31 ASP OD1 O 7.301 14.822 -17.476 1.00 . A A . 30 ASP OD1 1 1 9 4622 1 1 31 ASP OD2 O 8.783 16.419 -17.053 1.00 . A A . 30 ASP OD2 1 1 9 4623 1 1 32 NH2 HN1 H 11.784 13.179 -14.675 1.00 . A A . 31 NH2 HN1 1 1 9 4624 1 1 32 NH2 HN2 H 12.600 13.397 -16.162 1.00 . A A . 31 NH2 HN2 1 1 9 4625 1 1 32 NH2 N N 11.740 13.314 -15.659 1.00 . A A . 31 NH2 N 1 1 9 4626 2 2 1 ZN ZN ZN 1.367 9.864 -15.227 1.00 . B A . 32 ZN ZN 1 1 10 4627 1 1 1 ACE C C -1.152 -4.573 -1.828 1.00 . A A . 0 ACE C 1 1 10 4628 1 1 1 ACE CH3 C -2.414 -4.401 -1.032 1.00 . A A . 0 ACE CH3 1 1 10 4629 1 1 1 ACE H1 H -3.275 -4.358 -1.716 1.00 . A A . 0 ACE H1 1 1 10 4630 1 1 1 ACE H2 H -2.360 -3.468 -0.453 1.00 . A A . 0 ACE H2 1 1 10 4631 1 1 1 ACE H3 H -2.547 -5.248 -0.342 1.00 . A A . 0 ACE H3 1 1 10 4632 1 1 1 ACE O O -0.459 -5.561 -1.642 1.00 . A A . 0 ACE O 1 1 10 4633 1 1 2 LYS C C 1.387 -2.811 -3.006 1.00 . A A . 1 LYS C 1 1 10 4634 1 1 2 LYS CA C 0.324 -3.728 -3.564 1.00 . A A . 1 LYS CA 1 1 10 4635 1 1 2 LYS CB C -0.080 -3.389 -5.020 1.00 . A A . 1 LYS CB 1 1 10 4636 1 1 2 LYS CD C 0.361 -3.808 -7.476 1.00 . A A . 1 LYS CD 1 1 10 4637 1 1 2 LYS CE C -0.831 -4.608 -8.064 1.00 . A A . 1 LYS CE 1 1 10 4638 1 1 2 LYS CG C 0.750 -4.218 -6.036 1.00 . A A . 1 LYS CG 1 1 10 4639 1 1 2 LYS H H -1.423 -2.789 -2.820 1.00 . A A . 1 LYS H 1 1 10 4640 1 1 2 LYS HA H 0.683 -4.768 -3.578 1.00 . A A . 1 LYS HA 1 1 10 4641 1 1 2 LYS HB2 H -1.141 -3.633 -5.182 1.00 . A A . 1 LYS HB2 1 1 10 4642 1 1 2 LYS HB3 H 0.041 -2.307 -5.185 1.00 . A A . 1 LYS HB3 1 1 10 4643 1 1 2 LYS HD2 H 0.073 -2.752 -7.448 1.00 . A A . 1 LYS HD2 1 1 10 4644 1 1 2 LYS HD3 H 1.239 -3.907 -8.132 1.00 . A A . 1 LYS HD3 1 1 10 4645 1 1 2 LYS HE2 H -0.437 -5.327 -8.796 1.00 . A A . 1 LYS HE2 1 1 10 4646 1 1 2 LYS HE3 H -1.354 -5.187 -7.287 1.00 . A A . 1 LYS HE3 1 1 10 4647 1 1 2 LYS HG2 H 1.820 -4.019 -5.865 1.00 . A A . 1 LYS HG2 1 1 10 4648 1 1 2 LYS HG3 H 0.579 -5.298 -5.902 1.00 . A A . 1 LYS HG3 1 1 10 4649 1 1 2 LYS HZ1 H -2.375 -4.266 -9.474 1.00 . A A . 1 LYS HZ1 1 1 10 4650 1 1 2 LYS HZ2 H -1.372 -2.876 -9.229 1.00 . A A . 1 LYS HZ2 1 1 10 4651 1 1 2 LYS HZ3 H -2.518 -3.347 -7.993 1.00 . A A . 1 LYS HZ3 1 1 10 4652 1 1 2 LYS N N -0.857 -3.609 -2.723 1.00 . A A . 1 LYS N 1 1 10 4653 1 1 2 LYS NZ N -1.817 -3.724 -8.725 1.00 . A A . 1 LYS NZ 1 1 10 4654 1 1 2 LYS O O 1.353 -1.616 -3.252 1.00 . A A . 1 LYS O 1 1 10 4655 1 1 3 PHE C C 4.564 -2.479 -2.737 1.00 . A A . 2 PHE C 1 1 10 4656 1 1 3 PHE CA C 3.443 -2.520 -1.727 1.00 . A A . 2 PHE CA 1 1 10 4657 1 1 3 PHE CB C 3.932 -3.085 -0.365 1.00 . A A . 2 PHE CB 1 1 10 4658 1 1 3 PHE CD1 C 2.954 -1.503 1.344 1.00 . A A . 2 PHE CD1 1 1 10 4659 1 1 3 PHE CD2 C 1.981 -3.707 1.164 1.00 . A A . 2 PHE CD2 1 1 10 4660 1 1 3 PHE CE1 C 2.077 -1.196 2.386 1.00 . A A . 2 PHE CE1 1 1 10 4661 1 1 3 PHE CE2 C 1.106 -3.401 2.210 1.00 . A A . 2 PHE CE2 1 1 10 4662 1 1 3 PHE CG C 2.922 -2.764 0.740 1.00 . A A . 2 PHE CG 1 1 10 4663 1 1 3 PHE CZ C 1.155 -2.148 2.822 1.00 . A A . 2 PHE CZ 1 1 10 4664 1 1 3 PHE H H 2.369 -4.329 -2.043 1.00 . A A . 2 PHE H 1 1 10 4665 1 1 3 PHE HA H 3.119 -1.482 -1.554 1.00 . A A . 2 PHE HA 1 1 10 4666 1 1 3 PHE HB2 H 4.103 -4.170 -0.434 1.00 . A A . 2 PHE HB2 1 1 10 4667 1 1 3 PHE HB3 H 4.882 -2.618 -0.067 1.00 . A A . 2 PHE HB3 1 1 10 4668 1 1 3 PHE HD1 H 3.662 -0.753 1.007 1.00 . A A . 2 PHE HD1 1 1 10 4669 1 1 3 PHE HD2 H 1.926 -4.681 0.688 1.00 . A A . 2 PHE HD2 1 1 10 4670 1 1 3 PHE HE1 H 2.116 -0.219 2.856 1.00 . A A . 2 PHE HE1 1 1 10 4671 1 1 3 PHE HE2 H 0.387 -4.140 2.547 1.00 . A A . 2 PHE HE2 1 1 10 4672 1 1 3 PHE HZ H 0.478 -1.912 3.637 1.00 . A A . 2 PHE HZ 1 1 10 4673 1 1 3 PHE N N 2.354 -3.349 -2.236 1.00 . A A . 2 PHE N 1 1 10 4674 1 1 3 PHE O O 5.699 -2.732 -2.368 1.00 . A A . 2 PHE O 1 1 10 4675 1 1 4 GLU C C 4.948 -1.309 -6.184 1.00 . A A . 3 GLU C 1 1 10 4676 1 1 4 GLU CA C 5.373 -2.144 -4.998 1.00 . A A . 3 GLU CA 1 1 10 4677 1 1 4 GLU CB C 5.747 -3.607 -5.365 1.00 . A A . 3 GLU CB 1 1 10 4678 1 1 4 GLU CD C 7.996 -4.704 -5.967 1.00 . A A . 3 GLU CD 1 1 10 4679 1 1 4 GLU CG C 6.971 -3.663 -6.310 1.00 . A A . 3 GLU CG 1 1 10 4680 1 1 4 GLU H H 3.367 -1.941 -4.354 1.00 . A A . 3 GLU H 1 1 10 4681 1 1 4 GLU HA H 6.244 -1.639 -4.547 1.00 . A A . 3 GLU HA 1 1 10 4682 1 1 4 GLU HB2 H 6.009 -4.151 -4.446 1.00 . A A . 3 GLU HB2 1 1 10 4683 1 1 4 GLU HB3 H 4.884 -4.109 -5.829 1.00 . A A . 3 GLU HB3 1 1 10 4684 1 1 4 GLU HG2 H 6.648 -3.779 -7.355 1.00 . A A . 3 GLU HG2 1 1 10 4685 1 1 4 GLU HG3 H 7.525 -2.730 -6.184 1.00 . A A . 3 GLU HG3 1 1 10 4686 1 1 4 GLU N N 4.292 -2.159 -4.023 1.00 . A A . 3 GLU N 1 1 10 4687 1 1 4 GLU O O 4.864 -1.803 -7.299 1.00 . A A . 3 GLU O 1 1 10 4688 1 1 4 GLU OE1 O 8.715 -4.497 -4.953 1.00 . A A . 3 GLU OE1 1 1 10 4689 1 1 4 GLU OE2 O 8.108 -5.708 -6.720 1.00 . A A . 3 GLU OE2 1 1 10 4690 1 1 5 ASP C C 4.492 2.264 -6.738 1.00 . A A . 4 ASP C 1 1 10 4691 1 1 5 ASP CA C 4.135 0.833 -7.012 1.00 . A A . 4 ASP CA 1 1 10 4692 1 1 5 ASP CB C 2.599 0.680 -7.130 1.00 . A A . 4 ASP CB 1 1 10 4693 1 1 5 ASP CG C 2.180 -0.758 -7.059 1.00 . A A . 4 ASP CG 1 1 10 4694 1 1 5 ASP H H 4.715 0.383 -5.026 1.00 . A A . 4 ASP H 1 1 10 4695 1 1 5 ASP HA H 4.614 0.605 -7.966 1.00 . A A . 4 ASP HA 1 1 10 4696 1 1 5 ASP HB2 H 2.116 1.223 -6.306 1.00 . A A . 4 ASP HB2 1 1 10 4697 1 1 5 ASP HB3 H 2.233 1.093 -8.079 1.00 . A A . 4 ASP HB3 1 1 10 4698 1 1 5 ASP N N 4.658 -0.011 -5.944 1.00 . A A . 4 ASP N 1 1 10 4699 1 1 5 ASP O O 5.070 2.533 -5.696 1.00 . A A . 4 ASP O 1 1 10 4700 1 1 5 ASP OD1 O 2.254 -1.361 -5.951 1.00 . A A . 4 ASP OD1 1 1 10 4701 1 1 5 ASP OD2 O 1.760 -1.291 -8.116 1.00 . A A . 4 ASP OD2 1 1 10 4702 1 1 6 TRP C C 3.329 5.417 -8.027 1.00 . A A . 5 TRP C 1 1 10 4703 1 1 6 TRP CA C 4.435 4.589 -7.440 1.00 . A A . 5 TRP CA 1 1 10 4704 1 1 6 TRP CB C 5.792 4.961 -8.071 1.00 . A A . 5 TRP CB 1 1 10 4705 1 1 6 TRP CD1 C 6.462 3.269 -9.837 1.00 . A A . 5 TRP CD1 1 1 10 4706 1 1 6 TRP CD2 C 5.465 5.111 -10.730 1.00 . A A . 5 TRP CD2 1 1 10 4707 1 1 6 TRP CE2 C 5.860 4.228 -11.712 1.00 . A A . 5 TRP CE2 1 1 10 4708 1 1 6 TRP CE3 C 4.829 6.322 -11.014 1.00 . A A . 5 TRP CE3 1 1 10 4709 1 1 6 TRP CG C 5.912 4.435 -9.471 1.00 . A A . 5 TRP CG 1 1 10 4710 1 1 6 TRP CH2 C 5.092 5.731 -13.366 1.00 . A A . 5 TRP CH2 1 1 10 4711 1 1 6 TRP CZ2 C 5.688 4.504 -13.063 1.00 . A A . 5 TRP CZ2 1 1 10 4712 1 1 6 TRP CZ3 C 4.656 6.604 -12.367 1.00 . A A . 5 TRP CZ3 1 1 10 4713 1 1 6 TRP H H 3.743 2.922 -8.542 1.00 . A A . 5 TRP H 1 1 10 4714 1 1 6 TRP HA H 4.465 4.810 -6.362 1.00 . A A . 5 TRP HA 1 1 10 4715 1 1 6 TRP HB2 H 5.945 6.050 -8.079 1.00 . A A . 5 TRP HB2 1 1 10 4716 1 1 6 TRP HB3 H 6.581 4.498 -7.461 1.00 . A A . 5 TRP HB3 1 1 10 4717 1 1 6 TRP HD1 H 6.861 2.605 -9.080 1.00 . A A . 5 TRP HD1 1 1 10 4718 1 1 6 TRP HE1 H 6.762 2.326 -11.670 1.00 . A A . 5 TRP HE1 1 1 10 4719 1 1 6 TRP HE3 H 4.511 6.987 -10.226 1.00 . A A . 5 TRP HE3 1 1 10 4720 1 1 6 TRP HH2 H 4.964 6.039 -14.383 1.00 . A A . 5 TRP HH2 1 1 10 4721 1 1 6 TRP HZ2 H 6.000 3.816 -13.835 1.00 . A A . 5 TRP HZ2 1 1 10 4722 1 1 6 TRP HZ3 H 4.184 7.512 -12.695 1.00 . A A . 5 TRP HZ3 1 1 10 4723 1 1 6 TRP N N 4.159 3.181 -7.667 1.00 . A A . 5 TRP N 1 1 10 4724 1 1 6 TRP NE1 N 6.414 3.140 -11.139 1.00 . A A . 5 TRP NE1 1 1 10 4725 1 1 6 TRP O O 2.600 4.894 -8.853 1.00 . A A . 5 TRP O 1 1 10 4726 1 1 7 LEU C C 2.748 8.549 -9.041 1.00 . A A . 6 LEU C 1 1 10 4727 1 1 7 LEU CA C 2.160 7.562 -8.074 1.00 . A A . 6 LEU CA 1 1 10 4728 1 1 7 LEU CB C 1.477 8.368 -6.944 1.00 . A A . 6 LEU CB 1 1 10 4729 1 1 7 LEU CD1 C 1.027 6.969 -4.848 1.00 . A A . 6 LEU CD1 1 1 10 4730 1 1 7 LEU CD2 C -0.823 8.381 -5.880 1.00 . A A . 6 LEU CD2 1 1 10 4731 1 1 7 LEU CG C 0.431 7.519 -6.166 1.00 . A A . 6 LEU CG 1 1 10 4732 1 1 7 LEU H H 3.863 7.077 -6.931 1.00 . A A . 6 LEU H 1 1 10 4733 1 1 7 LEU HA H 1.382 6.992 -8.590 1.00 . A A . 6 LEU HA 1 1 10 4734 1 1 7 LEU HB2 H 2.233 8.786 -6.261 1.00 . A A . 6 LEU HB2 1 1 10 4735 1 1 7 LEU HB3 H 0.970 9.216 -7.430 1.00 . A A . 6 LEU HB3 1 1 10 4736 1 1 7 LEU HD11 H 1.961 6.423 -5.052 1.00 . A A . 6 LEU HD11 1 1 10 4737 1 1 7 LEU HD12 H 0.312 6.279 -4.376 1.00 . A A . 6 LEU HD12 1 1 10 4738 1 1 7 LEU HD13 H 1.234 7.795 -4.151 1.00 . A A . 6 LEU HD13 1 1 10 4739 1 1 7 LEU HD21 H -1.308 8.655 -6.829 1.00 . A A . 6 LEU HD21 1 1 10 4740 1 1 7 LEU HD22 H -0.540 9.300 -5.345 1.00 . A A . 6 LEU HD22 1 1 10 4741 1 1 7 LEU HD23 H -1.544 7.816 -5.272 1.00 . A A . 6 LEU HD23 1 1 10 4742 1 1 7 LEU HG H 0.088 6.655 -6.757 1.00 . A A . 6 LEU HG 1 1 10 4743 1 1 7 LEU N N 3.212 6.689 -7.583 1.00 . A A . 6 LEU N 1 1 10 4744 1 1 7 LEU O O 3.637 9.296 -8.667 1.00 . A A . 6 LEU O 1 1 10 4745 1 1 8 CYS C C 2.748 10.951 -10.819 1.00 . A A . 7 CYS C 1 1 10 4746 1 1 8 CYS CA C 2.803 9.473 -11.282 1.00 . A A . 7 CYS CA 1 1 10 4747 1 1 8 CYS CB C 2.017 9.307 -12.590 1.00 . A A . 7 CYS CB 1 1 10 4748 1 1 8 CYS H H 1.560 7.876 -10.591 1.00 . A A . 7 CYS H 1 1 10 4749 1 1 8 CYS HA H 3.857 9.222 -11.422 1.00 . A A . 7 CYS HA 1 1 10 4750 1 1 8 CYS HB2 H 2.036 8.273 -12.927 1.00 . A A . 7 CYS HB2 1 1 10 4751 1 1 8 CYS HB3 H 0.989 9.641 -12.441 1.00 . A A . 7 CYS HB3 1 1 10 4752 1 1 8 CYS N N 2.278 8.544 -10.292 1.00 . A A . 7 CYS N 1 1 10 4753 1 1 8 CYS O O 1.817 11.376 -10.137 1.00 . A A . 7 CYS O 1 1 10 4754 1 1 8 CYS SG S 2.805 10.326 -13.855 1.00 . A A . 7 CYS SG 1 1 10 4755 1 1 9 ASN C C 3.098 14.048 -11.876 1.00 . A A . 8 ASN C 1 1 10 4756 1 1 9 ASN CA C 3.771 13.168 -10.841 1.00 . A A . 8 ASN CA 1 1 10 4757 1 1 9 ASN CB C 5.252 13.587 -10.605 1.00 . A A . 8 ASN CB 1 1 10 4758 1 1 9 ASN CG C 5.423 14.153 -9.223 1.00 . A A . 8 ASN CG 1 1 10 4759 1 1 9 ASN H H 4.430 11.445 -11.885 1.00 . A A . 8 ASN H 1 1 10 4760 1 1 9 ASN HA H 3.217 13.302 -9.899 1.00 . A A . 8 ASN HA 1 1 10 4761 1 1 9 ASN HB2 H 5.926 12.720 -10.684 1.00 . A A . 8 ASN HB2 1 1 10 4762 1 1 9 ASN HB3 H 5.596 14.324 -11.346 1.00 . A A . 8 ASN HB3 1 1 10 4763 1 1 9 ASN HD21 H 4.344 15.844 -9.639 1.00 . A A . 8 ASN HD21 1 1 10 4764 1 1 9 ASN HD22 H 4.971 15.724 -8.025 1.00 . A A . 8 ASN HD22 1 1 10 4765 1 1 9 ASN N N 3.736 11.763 -11.237 1.00 . A A . 8 ASN N 1 1 10 4766 1 1 9 ASN ND2 N 4.861 15.344 -8.944 1.00 . A A . 8 ASN ND2 1 1 10 4767 1 1 9 ASN O O 3.457 15.207 -12.009 1.00 . A A . 8 ASN O 1 1 10 4768 1 1 9 ASN OD1 O 6.057 13.525 -8.391 1.00 . A A . 8 ASN OD1 1 1 10 4769 1 1 10 LYS C C -0.035 13.960 -13.633 1.00 . A A . 9 LYS C 1 1 10 4770 1 1 10 LYS CA C 1.447 14.251 -13.682 1.00 . A A . 9 LYS CA 1 1 10 4771 1 1 10 LYS CB C 2.001 13.811 -15.064 1.00 . A A . 9 LYS CB 1 1 10 4772 1 1 10 LYS CD C 3.678 15.613 -15.820 1.00 . A A . 9 LYS CD 1 1 10 4773 1 1 10 LYS CE C 4.182 16.203 -17.160 1.00 . A A . 9 LYS CE 1 1 10 4774 1 1 10 LYS CG C 2.270 14.997 -16.021 1.00 . A A . 9 LYS CG 1 1 10 4775 1 1 10 LYS H H 1.850 12.563 -12.470 1.00 . A A . 9 LYS H 1 1 10 4776 1 1 10 LYS HA H 1.581 15.332 -13.531 1.00 . A A . 9 LYS HA 1 1 10 4777 1 1 10 LYS HB2 H 2.908 13.203 -14.931 1.00 . A A . 9 LYS HB2 1 1 10 4778 1 1 10 LYS HB3 H 1.261 13.179 -15.574 1.00 . A A . 9 LYS HB3 1 1 10 4779 1 1 10 LYS HD2 H 3.627 16.386 -15.039 1.00 . A A . 9 LYS HD2 1 1 10 4780 1 1 10 LYS HD3 H 4.418 14.857 -15.510 1.00 . A A . 9 LYS HD3 1 1 10 4781 1 1 10 LYS HE2 H 4.507 15.373 -17.811 1.00 . A A . 9 LYS HE2 1 1 10 4782 1 1 10 LYS HE3 H 3.368 16.746 -17.668 1.00 . A A . 9 LYS HE3 1 1 10 4783 1 1 10 LYS HG2 H 2.195 14.607 -17.049 1.00 . A A . 9 LYS HG2 1 1 10 4784 1 1 10 LYS HG3 H 1.497 15.774 -15.904 1.00 . A A . 9 LYS HG3 1 1 10 4785 1 1 10 LYS HZ1 H 6.084 16.679 -16.342 1.00 . A A . 9 LYS HZ1 1 1 10 4786 1 1 10 LYS HZ2 H 4.962 18.028 -16.449 1.00 . A A . 9 LYS HZ2 1 1 10 4787 1 1 10 LYS HZ3 H 5.743 17.418 -17.890 1.00 . A A . 9 LYS HZ3 1 1 10 4788 1 1 10 LYS N N 2.111 13.505 -12.617 1.00 . A A . 9 LYS N 1 1 10 4789 1 1 10 LYS NZ N 5.308 17.132 -16.943 1.00 . A A . 9 LYS NZ 1 1 10 4790 1 1 10 LYS O O -0.819 14.883 -13.495 1.00 . A A . 9 LYS O 1 1 10 4791 1 1 11 CYS C C -2.171 11.744 -12.272 1.00 . A A . 10 CYS C 1 1 10 4792 1 1 11 CYS CA C -1.838 12.318 -13.665 1.00 . A A . 10 CYS CA 1 1 10 4793 1 1 11 CYS CB C -2.100 11.272 -14.748 1.00 . A A . 10 CYS CB 1 1 10 4794 1 1 11 CYS H H 0.203 11.960 -13.905 1.00 . A A . 10 CYS H 1 1 10 4795 1 1 11 CYS HA H -2.482 13.183 -13.834 1.00 . A A . 10 CYS HA 1 1 10 4796 1 1 11 CYS HB2 H -3.156 10.987 -14.697 1.00 . A A . 10 CYS HB2 1 1 10 4797 1 1 11 CYS HB3 H -1.925 11.713 -15.730 1.00 . A A . 10 CYS HB3 1 1 10 4798 1 1 11 CYS N N -0.452 12.717 -13.776 1.00 . A A . 10 CYS N 1 1 10 4799 1 1 11 CYS O O -3.344 11.461 -12.023 1.00 . A A . 10 CYS O 1 1 10 4800 1 1 11 CYS SG S -0.909 9.885 -14.478 1.00 . A A . 10 CYS SG 1 1 10 4801 1 1 12 CYS C C -2.004 9.668 -10.016 1.00 . A A . 11 CYS C 1 1 10 4802 1 1 12 CYS CA C -1.473 11.079 -10.010 1.00 . A A . 11 CYS CA 1 1 10 4803 1 1 12 CYS CB C -2.426 12.063 -9.289 1.00 . A A . 11 CYS CB 1 1 10 4804 1 1 12 CYS H H -0.218 11.761 -11.543 1.00 . A A . 11 CYS H 1 1 10 4805 1 1 12 CYS HA H -0.535 11.047 -9.437 1.00 . A A . 11 CYS HA 1 1 10 4806 1 1 12 CYS HB2 H -2.227 13.086 -9.645 1.00 . A A . 11 CYS HB2 1 1 10 4807 1 1 12 CYS HB3 H -3.475 11.811 -9.501 1.00 . A A . 11 CYS HB3 1 1 10 4808 1 1 12 CYS HG H -1.226 12.407 -7.470 1.00 . A A . 11 CYS HG 1 1 10 4809 1 1 12 CYS N N -1.176 11.568 -11.354 1.00 . A A . 11 CYS N 1 1 10 4810 1 1 12 CYS O O -2.639 9.264 -9.055 1.00 . A A . 11 CYS O 1 1 10 4811 1 1 12 CYS SG S -2.161 12.028 -7.484 1.00 . A A . 11 CYS SG 1 1 10 4812 1 1 13 LEU C C -1.200 6.589 -10.729 1.00 . A A . 12 LEU C 1 1 10 4813 1 1 13 LEU CA C -2.265 7.547 -11.190 1.00 . A A . 12 LEU CA 1 1 10 4814 1 1 13 LEU CB C -2.628 7.246 -12.661 1.00 . A A . 12 LEU CB 1 1 10 4815 1 1 13 LEU CD1 C -4.907 6.082 -13.021 1.00 . A A . 12 LEU CD1 1 1 10 4816 1 1 13 LEU CD2 C -2.780 5.033 -14.016 1.00 . A A . 12 LEU CD2 1 1 10 4817 1 1 13 LEU CG C -3.372 5.892 -12.864 1.00 . A A . 12 LEU CG 1 1 10 4818 1 1 13 LEU H H -1.190 9.228 -11.850 1.00 . A A . 12 LEU H 1 1 10 4819 1 1 13 LEU HA H -3.193 7.469 -10.604 1.00 . A A . 12 LEU HA 1 1 10 4820 1 1 13 LEU HB2 H -3.282 8.080 -12.911 1.00 . A A . 12 LEU HB2 1 1 10 4821 1 1 13 LEU HB3 H -1.718 7.321 -13.273 1.00 . A A . 12 LEU HB3 1 1 10 4822 1 1 13 LEU HD11 H -5.431 5.156 -12.744 1.00 . A A . 12 LEU HD11 1 1 10 4823 1 1 13 LEU HD12 H -5.178 6.319 -14.057 1.00 . A A . 12 LEU HD12 1 1 10 4824 1 1 13 LEU HD13 H -5.277 6.892 -12.375 1.00 . A A . 12 LEU HD13 1 1 10 4825 1 1 13 LEU HD21 H -1.714 5.238 -14.198 1.00 . A A . 12 LEU HD21 1 1 10 4826 1 1 13 LEU HD22 H -3.338 5.208 -14.939 1.00 . A A . 12 LEU HD22 1 1 10 4827 1 1 13 LEU HD23 H -2.880 3.964 -13.780 1.00 . A A . 12 LEU HD23 1 1 10 4828 1 1 13 LEU HG H -3.231 5.286 -11.964 1.00 . A A . 12 LEU HG 1 1 10 4829 1 1 13 LEU N N -1.750 8.902 -11.097 1.00 . A A . 12 LEU N 1 1 10 4830 1 1 13 LEU O O -0.035 6.802 -11.026 1.00 . A A . 12 LEU O 1 1 10 4831 1 1 14 ASN C C -0.106 3.740 -10.651 1.00 . A A . 13 ASN C 1 1 10 4832 1 1 14 ASN CA C -0.676 4.546 -9.511 1.00 . A A . 13 ASN CA 1 1 10 4833 1 1 14 ASN CB C -1.329 3.571 -8.493 1.00 . A A . 13 ASN CB 1 1 10 4834 1 1 14 ASN CG C -0.528 3.535 -7.218 1.00 . A A . 13 ASN CG 1 1 10 4835 1 1 14 ASN H H -2.587 5.433 -9.780 1.00 . A A . 13 ASN H 1 1 10 4836 1 1 14 ASN HA H 0.127 5.095 -9.012 1.00 . A A . 13 ASN HA 1 1 10 4837 1 1 14 ASN HB2 H -2.364 3.855 -8.254 1.00 . A A . 13 ASN HB2 1 1 10 4838 1 1 14 ASN HB3 H -1.372 2.556 -8.916 1.00 . A A . 13 ASN HB3 1 1 10 4839 1 1 14 ASN HD21 H -2.042 4.262 -6.014 1.00 . A A . 13 ASN HD21 1 1 10 4840 1 1 14 ASN HD22 H -0.561 3.879 -5.223 1.00 . A A . 13 ASN HD22 1 1 10 4841 1 1 14 ASN N N -1.621 5.538 -9.999 1.00 . A A . 13 ASN N 1 1 10 4842 1 1 14 ASN ND2 N -1.101 3.928 -6.062 1.00 . A A . 13 ASN ND2 1 1 10 4843 1 1 14 ASN O O -0.772 3.614 -11.667 1.00 . A A . 13 ASN O 1 1 10 4844 1 1 14 ASN OD1 O 0.627 3.149 -7.266 1.00 . A A . 13 ASN OD1 1 1 10 4845 1 1 15 ASN C C 2.674 1.377 -10.998 1.00 . A A . 14 ASN C 1 1 10 4846 1 1 15 ASN CA C 1.697 2.381 -11.558 1.00 . A A . 14 ASN CA 1 1 10 4847 1 1 15 ASN CB C 2.487 3.231 -12.579 1.00 . A A . 14 ASN CB 1 1 10 4848 1 1 15 ASN CG C 2.036 4.660 -12.472 1.00 . A A . 14 ASN CG 1 1 10 4849 1 1 15 ASN H H 1.662 3.357 -9.670 1.00 . A A . 14 ASN H 1 1 10 4850 1 1 15 ASN HA H 0.875 1.873 -12.085 1.00 . A A . 14 ASN HA 1 1 10 4851 1 1 15 ASN HB2 H 3.552 3.198 -12.331 1.00 . A A . 14 ASN HB2 1 1 10 4852 1 1 15 ASN HB3 H 2.368 2.809 -13.589 1.00 . A A . 14 ASN HB3 1 1 10 4853 1 1 15 ASN HD21 H 1.070 4.680 -14.277 1.00 . A A . 14 ASN HD21 1 1 10 4854 1 1 15 ASN HD22 H 0.973 6.121 -13.330 1.00 . A A . 14 ASN HD22 1 1 10 4855 1 1 15 ASN N N 1.113 3.179 -10.490 1.00 . A A . 14 ASN N 1 1 10 4856 1 1 15 ASN ND2 N 1.305 5.191 -13.460 1.00 . A A . 14 ASN ND2 1 1 10 4857 1 1 15 ASN O O 3.441 1.728 -10.114 1.00 . A A . 14 ASN O 1 1 10 4858 1 1 15 ASN OD1 O 2.318 5.315 -11.484 1.00 . A A . 14 ASN OD1 1 1 10 4859 1 1 16 PHE C C 4.949 -0.444 -10.939 1.00 . A A . 15 PHE C 1 1 10 4860 1 1 16 PHE CA C 3.511 -0.912 -10.993 1.00 . A A . 15 PHE CA 1 1 10 4861 1 1 16 PHE CB C 3.408 -2.243 -11.802 1.00 . A A . 15 PHE CB 1 1 10 4862 1 1 16 PHE CD1 C 4.057 -3.866 -9.932 1.00 . A A . 15 PHE CD1 1 1 10 4863 1 1 16 PHE CD2 C 2.015 -4.274 -11.127 1.00 . A A . 15 PHE CD2 1 1 10 4864 1 1 16 PHE CE1 C 3.824 -4.981 -9.128 1.00 . A A . 15 PHE CE1 1 1 10 4865 1 1 16 PHE CE2 C 1.820 -5.440 -10.383 1.00 . A A . 15 PHE CE2 1 1 10 4866 1 1 16 PHE CG C 3.154 -3.486 -10.929 1.00 . A A . 15 PHE CG 1 1 10 4867 1 1 16 PHE CZ C 2.705 -5.781 -9.359 1.00 . A A . 15 PHE CZ 1 1 10 4868 1 1 16 PHE H H 1.992 -0.084 -12.242 1.00 . A A . 15 PHE H 1 1 10 4869 1 1 16 PHE HA H 3.157 -1.114 -9.980 1.00 . A A . 15 PHE HA 1 1 10 4870 1 1 16 PHE HB2 H 2.589 -2.196 -12.533 1.00 . A A . 15 PHE HB2 1 1 10 4871 1 1 16 PHE HB3 H 4.328 -2.402 -12.382 1.00 . A A . 15 PHE HB3 1 1 10 4872 1 1 16 PHE HD1 H 4.961 -3.312 -9.763 1.00 . A A . 15 PHE HD1 1 1 10 4873 1 1 16 PHE HD2 H 1.267 -3.999 -11.865 1.00 . A A . 15 PHE HD2 1 1 10 4874 1 1 16 PHE HE1 H 4.517 -5.223 -8.328 1.00 . A A . 15 PHE HE1 1 1 10 4875 1 1 16 PHE HE2 H 0.976 -6.084 -10.602 1.00 . A A . 15 PHE HE2 1 1 10 4876 1 1 16 PHE HZ H 2.528 -6.656 -8.746 1.00 . A A . 15 PHE HZ 1 1 10 4877 1 1 16 PHE N N 2.647 0.136 -11.524 1.00 . A A . 15 PHE N 1 1 10 4878 1 1 16 PHE O O 5.417 0.171 -11.882 1.00 . A A . 15 PHE O 1 1 10 4879 1 1 17 ARG C C 7.885 -0.975 -10.998 1.00 . A A . 16 ARG C 1 1 10 4880 1 1 17 ARG CA C 7.121 -0.406 -9.839 1.00 . A A . 16 ARG CA 1 1 10 4881 1 1 17 ARG CB C 7.835 -0.898 -8.561 1.00 . A A . 16 ARG CB 1 1 10 4882 1 1 17 ARG CD C 8.946 -0.269 -6.348 1.00 . A A . 16 ARG CD 1 1 10 4883 1 1 17 ARG CG C 8.092 0.238 -7.545 1.00 . A A . 16 ARG CG 1 1 10 4884 1 1 17 ARG CZ C 10.990 0.272 -5.129 1.00 . A A . 16 ARG CZ 1 1 10 4885 1 1 17 ARG H H 5.285 -1.204 -9.074 1.00 . A A . 16 ARG H 1 1 10 4886 1 1 17 ARG HA H 7.243 0.664 -9.975 1.00 . A A . 16 ARG HA 1 1 10 4887 1 1 17 ARG HB2 H 7.217 -1.661 -8.100 1.00 . A A . 16 ARG HB2 1 1 10 4888 1 1 17 ARG HB3 H 8.792 -1.374 -8.825 1.00 . A A . 16 ARG HB3 1 1 10 4889 1 1 17 ARG HD2 H 8.302 -0.276 -5.454 1.00 . A A . 16 ARG HD2 1 1 10 4890 1 1 17 ARG HD3 H 9.310 -1.288 -6.548 1.00 . A A . 16 ARG HD3 1 1 10 4891 1 1 17 ARG HE H 10.351 1.298 -6.748 1.00 . A A . 16 ARG HE 1 1 10 4892 1 1 17 ARG HG2 H 8.607 1.038 -8.094 1.00 . A A . 16 ARG HG2 1 1 10 4893 1 1 17 ARG HG3 H 7.132 0.638 -7.182 1.00 . A A . 16 ARG HG3 1 1 10 4894 1 1 17 ARG HH11 H 10.017 -1.334 -4.309 1.00 . A A . 16 ARG HH11 1 1 10 4895 1 1 17 ARG HH12 H 11.505 -0.856 -3.511 1.00 . A A . 16 ARG HH12 1 1 10 4896 1 1 17 ARG HH21 H 12.231 1.803 -5.678 1.00 . A A . 16 ARG HH21 1 1 10 4897 1 1 17 ARG HH22 H 12.737 0.879 -4.268 1.00 . A A . 16 ARG HH22 1 1 10 4898 1 1 17 ARG N N 5.698 -0.742 -9.860 1.00 . A A . 16 ARG N 1 1 10 4899 1 1 17 ARG NE N 10.151 0.522 -6.106 1.00 . A A . 16 ARG NE 1 1 10 4900 1 1 17 ARG NH1 N 10.823 -0.698 -4.265 1.00 . A A . 16 ARG NH1 1 1 10 4901 1 1 17 ARG NH2 N 12.050 1.034 -5.018 1.00 . A A . 16 ARG NH2 1 1 10 4902 1 1 17 ARG O O 8.892 -0.416 -11.399 1.00 . A A . 16 ARG O 1 1 10 4903 1 1 18 LYS C C 7.974 -1.769 -13.878 1.00 . A A . 17 LYS C 1 1 10 4904 1 1 18 LYS CA C 8.079 -2.686 -12.680 1.00 . A A . 17 LYS CA 1 1 10 4905 1 1 18 LYS CB C 7.418 -4.051 -13.034 1.00 . A A . 17 LYS CB 1 1 10 4906 1 1 18 LYS CD C 8.142 -6.044 -14.409 1.00 . A A . 17 LYS CD 1 1 10 4907 1 1 18 LYS CE C 9.193 -7.170 -14.598 1.00 . A A . 17 LYS CE 1 1 10 4908 1 1 18 LYS CG C 8.470 -5.179 -13.177 1.00 . A A . 17 LYS CG 1 1 10 4909 1 1 18 LYS H H 6.582 -2.517 -11.178 1.00 . A A . 17 LYS H 1 1 10 4910 1 1 18 LYS HA H 9.139 -2.782 -12.401 1.00 . A A . 17 LYS HA 1 1 10 4911 1 1 18 LYS HB2 H 6.703 -4.413 -12.278 1.00 . A A . 17 LYS HB2 1 1 10 4912 1 1 18 LYS HB3 H 6.835 -3.911 -13.957 1.00 . A A . 17 LYS HB3 1 1 10 4913 1 1 18 LYS HD2 H 7.119 -6.437 -14.303 1.00 . A A . 17 LYS HD2 1 1 10 4914 1 1 18 LYS HD3 H 8.170 -5.387 -15.295 1.00 . A A . 17 LYS HD3 1 1 10 4915 1 1 18 LYS HE2 H 9.573 -7.114 -15.630 1.00 . A A . 17 LYS HE2 1 1 10 4916 1 1 18 LYS HE3 H 10.055 -7.028 -13.924 1.00 . A A . 17 LYS HE3 1 1 10 4917 1 1 18 LYS HG2 H 9.485 -4.784 -13.328 1.00 . A A . 17 LYS HG2 1 1 10 4918 1 1 18 LYS HG3 H 8.469 -5.802 -12.266 1.00 . A A . 17 LYS HG3 1 1 10 4919 1 1 18 LYS HZ1 H 9.259 -9.257 -14.830 1.00 . A A . 17 LYS HZ1 1 1 10 4920 1 1 18 LYS HZ2 H 7.643 -8.647 -14.785 1.00 . A A . 17 LYS HZ2 1 1 10 4921 1 1 18 LYS HZ3 H 8.581 -8.732 -13.304 1.00 . A A . 17 LYS HZ3 1 1 10 4922 1 1 18 LYS N N 7.407 -2.104 -11.538 1.00 . A A . 17 LYS N 1 1 10 4923 1 1 18 LYS NZ N 8.628 -8.514 -14.362 1.00 . A A . 17 LYS NZ 1 1 10 4924 1 1 18 LYS O O 8.776 -1.883 -14.792 1.00 . A A . 17 LYS O 1 1 10 4925 1 1 19 ARG C C 7.887 1.017 -15.095 1.00 . A A . 18 ARG C 1 1 10 4926 1 1 19 ARG CA C 6.772 -0.011 -15.054 1.00 . A A . 18 ARG CA 1 1 10 4927 1 1 19 ARG CB C 5.365 0.681 -15.024 1.00 . A A . 18 ARG CB 1 1 10 4928 1 1 19 ARG CD C 5.089 1.118 -17.536 1.00 . A A . 18 ARG CD 1 1 10 4929 1 1 19 ARG CG C 4.499 0.430 -16.284 1.00 . A A . 18 ARG CG 1 1 10 4930 1 1 19 ARG CZ C 5.339 0.614 -19.902 1.00 . A A . 18 ARG CZ 1 1 10 4931 1 1 19 ARG H H 6.359 -0.747 -13.122 1.00 . A A . 18 ARG H 1 1 10 4932 1 1 19 ARG HA H 6.822 -0.678 -15.927 1.00 . A A . 18 ARG HA 1 1 10 4933 1 1 19 ARG HB2 H 4.732 0.302 -14.212 1.00 . A A . 18 ARG HB2 1 1 10 4934 1 1 19 ARG HB3 H 5.476 1.758 -14.862 1.00 . A A . 18 ARG HB3 1 1 10 4935 1 1 19 ARG HD2 H 4.807 2.174 -17.592 1.00 . A A . 18 ARG HD2 1 1 10 4936 1 1 19 ARG HD3 H 6.165 1.026 -17.424 1.00 . A A . 18 ARG HD3 1 1 10 4937 1 1 19 ARG HE H 3.829 -0.102 -18.739 1.00 . A A . 18 ARG HE 1 1 10 4938 1 1 19 ARG HG2 H 4.440 -0.659 -16.434 1.00 . A A . 18 ARG HG2 1 1 10 4939 1 1 19 ARG HG3 H 3.479 0.814 -16.119 1.00 . A A . 18 ARG HG3 1 1 10 4940 1 1 19 ARG HH11 H 6.777 1.947 -19.290 1.00 . A A . 18 ARG HH11 1 1 10 4941 1 1 19 ARG HH12 H 6.901 1.406 -20.949 1.00 . A A . 18 ARG HH12 1 1 10 4942 1 1 19 ARG HH21 H 4.103 -0.684 -20.872 1.00 . A A . 18 ARG HH21 1 1 10 4943 1 1 19 ARG HH22 H 5.379 0.026 -21.855 1.00 . A A . 18 ARG HH22 1 1 10 4944 1 1 19 ARG N N 6.972 -0.865 -13.897 1.00 . A A . 18 ARG N 1 1 10 4945 1 1 19 ARG NE N 4.674 0.488 -18.777 1.00 . A A . 18 ARG NE 1 1 10 4946 1 1 19 ARG NH1 N 6.404 1.366 -20.049 1.00 . A A . 18 ARG NH1 1 1 10 4947 1 1 19 ARG NH2 N 4.912 -0.054 -20.941 1.00 . A A . 18 ARG NH2 1 1 10 4948 1 1 19 ARG O O 8.134 1.654 -14.084 1.00 . A A . 18 ARG O 1 1 10 4949 1 1 20 LEU C C 8.866 3.599 -16.771 1.00 . A A . 19 LEU C 1 1 10 4950 1 1 20 LEU CA C 9.528 2.292 -16.416 1.00 . A A . 19 LEU CA 1 1 10 4951 1 1 20 LEU CB C 10.515 1.923 -17.564 1.00 . A A . 19 LEU CB 1 1 10 4952 1 1 20 LEU CD1 C 12.110 0.076 -18.256 1.00 . A A . 19 LEU CD1 1 1 10 4953 1 1 20 LEU CD2 C 12.784 1.721 -16.445 1.00 . A A . 19 LEU CD2 1 1 10 4954 1 1 20 LEU CG C 11.601 0.934 -17.070 1.00 . A A . 19 LEU CG 1 1 10 4955 1 1 20 LEU H H 8.363 0.640 -17.052 1.00 . A A . 19 LEU H 1 1 10 4956 1 1 20 LEU HA H 10.074 2.465 -15.478 1.00 . A A . 19 LEU HA 1 1 10 4957 1 1 20 LEU HB2 H 9.952 1.496 -18.409 1.00 . A A . 19 LEU HB2 1 1 10 4958 1 1 20 LEU HB3 H 11.044 2.799 -17.964 1.00 . A A . 19 LEU HB3 1 1 10 4959 1 1 20 LEU HD11 H 13.051 -0.427 -17.991 1.00 . A A . 19 LEU HD11 1 1 10 4960 1 1 20 LEU HD12 H 12.281 0.707 -19.140 1.00 . A A . 19 LEU HD12 1 1 10 4961 1 1 20 LEU HD13 H 11.359 -0.691 -18.505 1.00 . A A . 19 LEU HD13 1 1 10 4962 1 1 20 LEU HD21 H 12.432 2.464 -15.715 1.00 . A A . 19 LEU HD21 1 1 10 4963 1 1 20 LEU HD22 H 13.346 2.245 -17.232 1.00 . A A . 19 LEU HD22 1 1 10 4964 1 1 20 LEU HD23 H 13.464 1.026 -15.929 1.00 . A A . 19 LEU HD23 1 1 10 4965 1 1 20 LEU HG H 11.172 0.260 -16.311 1.00 . A A . 19 LEU HG 1 1 10 4966 1 1 20 LEU N N 8.551 1.212 -16.260 1.00 . A A . 19 LEU N 1 1 10 4967 1 1 20 LEU O O 9.563 4.495 -17.212 1.00 . A A . 19 LEU O 1 1 10 4968 1 1 21 LYS C C 5.472 4.993 -16.631 1.00 . A A . 20 LYS C 1 1 10 4969 1 1 21 LYS CA C 6.935 5.036 -16.945 1.00 . A A . 20 LYS CA 1 1 10 4970 1 1 21 LYS CB C 7.114 5.374 -18.448 1.00 . A A . 20 LYS CB 1 1 10 4971 1 1 21 LYS CD C 8.331 6.875 -20.120 1.00 . A A . 20 LYS CD 1 1 10 4972 1 1 21 LYS CE C 9.844 6.602 -20.335 1.00 . A A . 20 LYS CE 1 1 10 4973 1 1 21 LYS CG C 7.934 6.671 -18.638 1.00 . A A . 20 LYS CG 1 1 10 4974 1 1 21 LYS H H 6.938 3.074 -16.222 1.00 . A A . 20 LYS H 1 1 10 4975 1 1 21 LYS HA H 7.371 5.768 -16.261 1.00 . A A . 20 LYS HA 1 1 10 4976 1 1 21 LYS HB2 H 7.618 4.532 -18.943 1.00 . A A . 20 LYS HB2 1 1 10 4977 1 1 21 LYS HB3 H 6.138 5.507 -18.943 1.00 . A A . 20 LYS HB3 1 1 10 4978 1 1 21 LYS HD2 H 7.699 6.208 -20.724 1.00 . A A . 20 LYS HD2 1 1 10 4979 1 1 21 LYS HD3 H 8.131 7.909 -20.442 1.00 . A A . 20 LYS HD3 1 1 10 4980 1 1 21 LYS HE2 H 10.386 7.541 -20.125 1.00 . A A . 20 LYS HE2 1 1 10 4981 1 1 21 LYS HE3 H 10.211 5.844 -19.625 1.00 . A A . 20 LYS HE3 1 1 10 4982 1 1 21 LYS HG2 H 7.341 7.521 -18.299 1.00 . A A . 20 LYS HG2 1 1 10 4983 1 1 21 LYS HG3 H 8.823 6.630 -18.007 1.00 . A A . 20 LYS HG3 1 1 10 4984 1 1 21 LYS HZ1 H 10.758 6.833 -22.241 1.00 . A A . 20 LYS HZ1 1 1 10 4985 1 1 21 LYS HZ2 H 9.282 5.938 -22.327 1.00 . A A . 20 LYS HZ2 1 1 10 4986 1 1 21 LYS HZ3 H 10.688 5.191 -21.661 1.00 . A A . 20 LYS HZ3 1 1 10 4987 1 1 21 LYS N N 7.538 3.762 -16.610 1.00 . A A . 20 LYS N 1 1 10 4988 1 1 21 LYS NZ N 10.145 6.125 -21.704 1.00 . A A . 20 LYS NZ 1 1 10 4989 1 1 21 LYS O O 5.002 3.978 -16.148 1.00 . A A . 20 LYS O 1 1 10 4990 1 1 22 CYS C C 2.512 5.510 -17.733 1.00 . A A . 21 CYS C 1 1 10 4991 1 1 22 CYS CA C 3.328 6.104 -16.559 1.00 . A A . 21 CYS CA 1 1 10 4992 1 1 22 CYS CB C 2.899 7.531 -16.214 1.00 . A A . 21 CYS CB 1 1 10 4993 1 1 22 CYS H H 5.159 6.959 -17.189 1.00 . A A . 21 CYS H 1 1 10 4994 1 1 22 CYS HA H 3.167 5.478 -15.680 1.00 . A A . 21 CYS HA 1 1 10 4995 1 1 22 CYS HB2 H 3.540 7.927 -15.422 1.00 . A A . 21 CYS HB2 1 1 10 4996 1 1 22 CYS HB3 H 2.950 8.178 -17.092 1.00 . A A . 21 CYS HB3 1 1 10 4997 1 1 22 CYS N N 4.746 6.087 -16.847 1.00 . A A . 21 CYS N 1 1 10 4998 1 1 22 CYS O O 2.722 5.863 -18.886 1.00 . A A . 21 CYS O 1 1 10 4999 1 1 22 CYS SG S 1.203 7.366 -15.604 1.00 . A A . 21 CYS SG 1 1 10 5000 1 1 23 PHE C C -0.529 4.825 -18.767 1.00 . A A . 22 PHE C 1 1 10 5001 1 1 23 PHE CA C 0.728 4.022 -18.504 1.00 . A A . 22 PHE CA 1 1 10 5002 1 1 23 PHE CB C 0.358 2.584 -18.041 1.00 . A A . 22 PHE CB 1 1 10 5003 1 1 23 PHE CD1 C 1.482 1.427 -19.985 1.00 . A A . 22 PHE CD1 1 1 10 5004 1 1 23 PHE CD2 C -0.817 0.860 -19.495 1.00 . A A . 22 PHE CD2 1 1 10 5005 1 1 23 PHE CE1 C 1.451 0.584 -21.097 1.00 . A A . 22 PHE CE1 1 1 10 5006 1 1 23 PHE CE2 C -0.814 -0.055 -20.549 1.00 . A A . 22 PHE CE2 1 1 10 5007 1 1 23 PHE CG C 0.333 1.598 -19.207 1.00 . A A . 22 PHE CG 1 1 10 5008 1 1 23 PHE CZ C 0.323 -0.199 -21.345 1.00 . A A . 22 PHE CZ 1 1 10 5009 1 1 23 PHE H H 1.344 4.347 -16.515 1.00 . A A . 22 PHE H 1 1 10 5010 1 1 23 PHE HA H 1.288 4.000 -19.448 1.00 . A A . 22 PHE HA 1 1 10 5011 1 1 23 PHE HB2 H 1.121 2.180 -17.357 1.00 . A A . 22 PHE HB2 1 1 10 5012 1 1 23 PHE HB3 H -0.600 2.610 -17.496 1.00 . A A . 22 PHE HB3 1 1 10 5013 1 1 23 PHE HD1 H 2.402 1.946 -19.735 1.00 . A A . 22 PHE HD1 1 1 10 5014 1 1 23 PHE HD2 H -1.717 0.986 -18.901 1.00 . A A . 22 PHE HD2 1 1 10 5015 1 1 23 PHE HE1 H 2.299 0.542 -21.768 1.00 . A A . 22 PHE HE1 1 1 10 5016 1 1 23 PHE HE2 H -1.697 -0.650 -20.752 1.00 . A A . 22 PHE HE2 1 1 10 5017 1 1 23 PHE HZ H 0.332 -0.916 -22.159 1.00 . A A . 22 PHE HZ 1 1 10 5018 1 1 23 PHE N N 1.559 4.598 -17.452 1.00 . A A . 22 PHE N 1 1 10 5019 1 1 23 PHE O O -1.432 4.327 -19.418 1.00 . A A . 22 PHE O 1 1 10 5020 1 1 24 ARG C C -1.270 8.205 -19.163 1.00 . A A . 23 ARG C 1 1 10 5021 1 1 24 ARG CA C -1.719 6.962 -18.440 1.00 . A A . 23 ARG CA 1 1 10 5022 1 1 24 ARG CB C -2.295 7.312 -17.048 1.00 . A A . 23 ARG CB 1 1 10 5023 1 1 24 ARG CD C -4.743 8.051 -16.474 1.00 . A A . 23 ARG CD 1 1 10 5024 1 1 24 ARG CG C -3.387 8.413 -17.146 1.00 . A A . 23 ARG CG 1 1 10 5025 1 1 24 ARG CZ C -6.024 8.805 -14.516 1.00 . A A . 23 ARG CZ 1 1 10 5026 1 1 24 ARG H H 0.171 6.427 -17.735 1.00 . A A . 23 ARG H 1 1 10 5027 1 1 24 ARG HA H -2.517 6.484 -19.029 1.00 . A A . 23 ARG HA 1 1 10 5028 1 1 24 ARG HB2 H -2.694 6.355 -16.707 1.00 . A A . 23 ARG HB2 1 1 10 5029 1 1 24 ARG HB3 H -1.513 7.619 -16.338 1.00 . A A . 23 ARG HB3 1 1 10 5030 1 1 24 ARG HD2 H -5.506 8.486 -17.135 1.00 . A A . 23 ARG HD2 1 1 10 5031 1 1 24 ARG HD3 H -4.896 6.964 -16.424 1.00 . A A . 23 ARG HD3 1 1 10 5032 1 1 24 ARG HE H -4.027 8.994 -14.723 1.00 . A A . 23 ARG HE 1 1 10 5033 1 1 24 ARG HG2 H -2.983 9.363 -16.763 1.00 . A A . 23 ARG HG2 1 1 10 5034 1 1 24 ARG HG3 H -3.616 8.586 -18.206 1.00 . A A . 23 ARG HG3 1 1 10 5035 1 1 24 ARG HH11 H -7.219 7.847 -15.871 1.00 . A A . 23 ARG HH11 1 1 10 5036 1 1 24 ARG HH12 H -8.045 8.526 -14.480 1.00 . A A . 23 ARG HH12 1 1 10 5037 1 1 24 ARG HH21 H -5.161 9.783 -12.938 1.00 . A A . 23 ARG HH21 1 1 10 5038 1 1 24 ARG HH22 H -6.905 9.558 -12.834 1.00 . A A . 23 ARG HH22 1 1 10 5039 1 1 24 ARG N N -0.582 6.073 -18.259 1.00 . A A . 23 ARG N 1 1 10 5040 1 1 24 ARG NE N -4.884 8.646 -15.149 1.00 . A A . 23 ARG NE 1 1 10 5041 1 1 24 ARG NH1 N -7.165 8.370 -14.990 1.00 . A A . 23 ARG NH1 1 1 10 5042 1 1 24 ARG NH2 N -6.030 9.419 -13.359 1.00 . A A . 23 ARG NH2 1 1 10 5043 1 1 24 ARG O O -1.853 8.512 -20.191 1.00 . A A . 23 ARG O 1 1 10 5044 1 1 25 CYS C C 1.563 9.780 -20.087 1.00 . A A . 24 CYS C 1 1 10 5045 1 1 25 CYS CA C 0.236 10.107 -19.356 1.00 . A A . 24 CYS CA 1 1 10 5046 1 1 25 CYS CB C 0.397 11.236 -18.329 1.00 . A A . 24 CYS CB 1 1 10 5047 1 1 25 CYS H H 0.164 8.692 -17.801 1.00 . A A . 24 CYS H 1 1 10 5048 1 1 25 CYS HA H -0.482 10.431 -20.115 1.00 . A A . 24 CYS HA 1 1 10 5049 1 1 25 CYS HB2 H 0.636 12.172 -18.845 1.00 . A A . 24 CYS HB2 1 1 10 5050 1 1 25 CYS HB3 H -0.549 11.379 -17.804 1.00 . A A . 24 CYS HB3 1 1 10 5051 1 1 25 CYS N N -0.305 8.955 -18.653 1.00 . A A . 24 CYS N 1 1 10 5052 1 1 25 CYS O O 2.007 10.604 -20.885 1.00 . A A . 24 CYS O 1 1 10 5053 1 1 25 CYS SG S 1.659 10.734 -17.095 1.00 . A A . 24 CYS SG 1 1 10 5054 1 1 26 GLY C C 4.678 8.896 -19.694 1.00 . A A . 25 GLY C 1 1 10 5055 1 1 26 GLY CA C 3.510 8.369 -20.494 1.00 . A A . 25 GLY CA 1 1 10 5056 1 1 26 GLY H H 1.908 7.912 -19.216 1.00 . A A . 25 GLY H 1 1 10 5057 1 1 26 GLY HA2 H 3.655 7.288 -20.631 1.00 . A A . 25 GLY HA2 1 1 10 5058 1 1 26 GLY HA3 H 3.544 8.820 -21.497 1.00 . A A . 25 GLY HA3 1 1 10 5059 1 1 26 GLY N N 2.227 8.619 -19.844 1.00 . A A . 25 GLY N 1 1 10 5060 1 1 26 GLY O O 5.754 8.343 -19.831 1.00 . A A . 25 GLY O 1 1 10 5061 1 1 27 ALA C C 6.261 9.623 -17.203 1.00 . A A . 26 ALA C 1 1 10 5062 1 1 27 ALA CA C 5.621 10.578 -18.177 1.00 . A A . 26 ALA CA 1 1 10 5063 1 1 27 ALA CB C 5.185 11.835 -17.377 1.00 . A A . 26 ALA CB 1 1 10 5064 1 1 27 ALA H H 3.623 10.405 -18.843 1.00 . A A . 26 ALA H 1 1 10 5065 1 1 27 ALA HA H 6.358 10.881 -18.937 1.00 . A A . 26 ALA HA 1 1 10 5066 1 1 27 ALA HB1 H 6.033 12.528 -17.284 1.00 . A A . 26 ALA HB1 1 1 10 5067 1 1 27 ALA HB2 H 4.363 12.371 -17.874 1.00 . A A . 26 ALA HB2 1 1 10 5068 1 1 27 ALA HB3 H 4.852 11.548 -16.366 1.00 . A A . 26 ALA HB3 1 1 10 5069 1 1 27 ALA N N 4.507 9.966 -18.894 1.00 . A A . 26 ALA N 1 1 10 5070 1 1 27 ALA O O 5.582 8.723 -16.733 1.00 . A A . 26 ALA O 1 1 10 5071 1 1 28 ASP C C 8.146 9.375 -14.566 1.00 . A A . 27 ASP C 1 1 10 5072 1 1 28 ASP CA C 8.234 8.889 -15.987 1.00 . A A . 27 ASP CA 1 1 10 5073 1 1 28 ASP CB C 9.712 8.646 -16.392 1.00 . A A . 27 ASP CB 1 1 10 5074 1 1 28 ASP CG C 10.234 7.311 -15.923 1.00 . A A . 27 ASP CG 1 1 10 5075 1 1 28 ASP H H 8.099 10.559 -17.282 1.00 . A A . 27 ASP H 1 1 10 5076 1 1 28 ASP HA H 7.707 7.937 -16.026 1.00 . A A . 27 ASP HA 1 1 10 5077 1 1 28 ASP HB2 H 9.796 8.686 -17.487 1.00 . A A . 27 ASP HB2 1 1 10 5078 1 1 28 ASP HB3 H 10.348 9.443 -15.984 1.00 . A A . 27 ASP HB3 1 1 10 5079 1 1 28 ASP N N 7.566 9.804 -16.900 1.00 . A A . 27 ASP N 1 1 10 5080 1 1 28 ASP O O 8.061 10.570 -14.330 1.00 . A A . 27 ASP O 1 1 10 5081 1 1 28 ASP OD1 O 9.650 6.732 -14.964 1.00 . A A . 27 ASP OD1 1 1 10 5082 1 1 28 ASP OD2 O 11.236 6.836 -16.524 1.00 . A A . 27 ASP OD2 1 1 10 5083 1 1 29 LYS C C 9.422 9.687 -11.888 1.00 . A A . 28 LYS C 1 1 10 5084 1 1 29 LYS CA C 8.218 8.832 -12.204 1.00 . A A . 28 LYS CA 1 1 10 5085 1 1 29 LYS CB C 8.249 7.590 -11.282 1.00 . A A . 28 LYS CB 1 1 10 5086 1 1 29 LYS CD C 10.198 6.164 -10.403 1.00 . A A . 28 LYS CD 1 1 10 5087 1 1 29 LYS CE C 9.336 5.316 -9.429 1.00 . A A . 28 LYS CE 1 1 10 5088 1 1 29 LYS CG C 9.377 6.577 -11.644 1.00 . A A . 28 LYS CG 1 1 10 5089 1 1 29 LYS H H 8.277 7.464 -13.846 1.00 . A A . 28 LYS H 1 1 10 5090 1 1 29 LYS HA H 7.310 9.414 -11.981 1.00 . A A . 28 LYS HA 1 1 10 5091 1 1 29 LYS HB2 H 8.336 7.954 -10.247 1.00 . A A . 28 LYS HB2 1 1 10 5092 1 1 29 LYS HB3 H 7.281 7.082 -11.378 1.00 . A A . 28 LYS HB3 1 1 10 5093 1 1 29 LYS HD2 H 11.078 5.577 -10.713 1.00 . A A . 28 LYS HD2 1 1 10 5094 1 1 29 LYS HD3 H 10.559 7.100 -9.951 1.00 . A A . 28 LYS HD3 1 1 10 5095 1 1 29 LYS HE2 H 8.286 5.621 -9.518 1.00 . A A . 28 LYS HE2 1 1 10 5096 1 1 29 LYS HE3 H 9.393 4.258 -9.734 1.00 . A A . 28 LYS HE3 1 1 10 5097 1 1 29 LYS HG2 H 8.944 5.680 -12.119 1.00 . A A . 28 LYS HG2 1 1 10 5098 1 1 29 LYS HG3 H 10.099 7.021 -12.341 1.00 . A A . 28 LYS HG3 1 1 10 5099 1 1 29 LYS HZ1 H 10.322 6.361 -7.808 1.00 . A A . 28 LYS HZ1 1 1 10 5100 1 1 29 LYS HZ2 H 10.325 4.628 -7.677 1.00 . A A . 28 LYS HZ2 1 1 10 5101 1 1 29 LYS HZ3 H 8.877 5.555 -7.376 1.00 . A A . 28 LYS HZ3 1 1 10 5102 1 1 29 LYS N N 8.193 8.435 -13.603 1.00 . A A . 28 LYS N 1 1 10 5103 1 1 29 LYS NZ N 9.746 5.472 -8.014 1.00 . A A . 28 LYS NZ 1 1 10 5104 1 1 29 LYS O O 9.392 10.389 -10.890 1.00 . A A . 28 LYS O 1 1 10 5105 1 1 30 PHE C C 11.536 11.757 -13.317 1.00 . A A . 29 PHE C 1 1 10 5106 1 1 30 PHE CA C 11.652 10.485 -12.504 1.00 . A A . 29 PHE CA 1 1 10 5107 1 1 30 PHE CB C 12.928 9.668 -12.876 1.00 . A A . 29 PHE CB 1 1 10 5108 1 1 30 PHE CD1 C 14.540 10.612 -11.166 1.00 . A A . 29 PHE CD1 1 1 10 5109 1 1 30 PHE CD2 C 14.022 8.251 -11.066 1.00 . A A . 29 PHE CD2 1 1 10 5110 1 1 30 PHE CE1 C 15.408 10.467 -10.082 1.00 . A A . 29 PHE CE1 1 1 10 5111 1 1 30 PHE CE2 C 14.898 8.106 -9.988 1.00 . A A . 29 PHE CE2 1 1 10 5112 1 1 30 PHE CG C 13.853 9.502 -11.667 1.00 . A A . 29 PHE CG 1 1 10 5113 1 1 30 PHE CZ C 15.591 9.213 -9.496 1.00 . A A . 29 PHE CZ 1 1 10 5114 1 1 30 PHE H H 10.471 9.091 -13.550 1.00 . A A . 29 PHE H 1 1 10 5115 1 1 30 PHE HA H 11.727 10.786 -11.448 1.00 . A A . 29 PHE HA 1 1 10 5116 1 1 30 PHE HB2 H 12.665 8.664 -13.236 1.00 . A A . 29 PHE HB2 1 1 10 5117 1 1 30 PHE HB3 H 13.508 10.140 -13.683 1.00 . A A . 29 PHE HB3 1 1 10 5118 1 1 30 PHE HD1 H 14.401 11.588 -11.619 1.00 . A A . 29 PHE HD1 1 1 10 5119 1 1 30 PHE HD2 H 13.481 7.383 -11.428 1.00 . A A . 29 PHE HD2 1 1 10 5120 1 1 30 PHE HE1 H 15.941 11.330 -9.696 1.00 . A A . 29 PHE HE1 1 1 10 5121 1 1 30 PHE HE2 H 15.039 7.131 -9.535 1.00 . A A . 29 PHE HE2 1 1 10 5122 1 1 30 PHE HZ H 16.271 9.099 -8.659 1.00 . A A . 29 PHE HZ 1 1 10 5123 1 1 30 PHE N N 10.481 9.648 -12.726 1.00 . A A . 29 PHE N 1 1 10 5124 1 1 30 PHE O O 12.568 12.345 -13.596 1.00 . A A . 29 PHE O 1 1 10 5125 1 1 31 ASP C C 9.408 14.452 -13.788 1.00 . A A . 30 ASP C 1 1 10 5126 1 1 31 ASP CA C 10.183 13.394 -14.541 1.00 . A A . 30 ASP CA 1 1 10 5127 1 1 31 ASP CB C 9.565 13.004 -15.910 1.00 . A A . 30 ASP CB 1 1 10 5128 1 1 31 ASP CG C 9.911 13.968 -17.011 1.00 . A A . 30 ASP CG 1 1 10 5129 1 1 31 ASP H H 9.463 11.736 -13.465 1.00 . A A . 30 ASP H 1 1 10 5130 1 1 31 ASP HA H 11.176 13.816 -14.756 1.00 . A A . 30 ASP HA 1 1 10 5131 1 1 31 ASP HB2 H 9.964 12.018 -16.188 1.00 . A A . 30 ASP HB2 1 1 10 5132 1 1 31 ASP HB3 H 8.470 12.921 -15.879 1.00 . A A . 30 ASP HB3 1 1 10 5133 1 1 31 ASP N N 10.313 12.201 -13.706 1.00 . A A . 30 ASP N 1 1 10 5134 1 1 31 ASP O O 10.014 15.406 -13.327 1.00 . A A . 30 ASP O 1 1 10 5135 1 1 31 ASP OD1 O 10.391 15.096 -16.721 1.00 . A A . 30 ASP OD1 1 1 10 5136 1 1 31 ASP OD2 O 9.697 13.591 -18.195 1.00 . A A . 30 ASP OD2 1 1 10 5137 1 1 32 NH2 HN1 H 7.542 13.561 -13.918 1.00 . A A . 31 NH2 HN1 1 1 10 5138 1 1 32 NH2 HN2 H 7.606 15.085 -13.121 1.00 . A A . 31 NH2 HN2 1 1 10 5139 1 1 32 NH2 N N 8.073 14.346 -13.606 1.00 . A A . 31 NH2 N 1 1 10 5140 2 2 1 ZN ZN ZN 1.165 9.680 -15.337 1.00 . B A . 32 ZN ZN 1 1 11 5141 1 1 1 ACE C C -0.041 -0.056 -0.014 1.00 . A A . 0 ACE C 1 1 11 5142 1 1 1 ACE CH3 C -0.651 -0.126 1.365 1.00 . A A . 0 ACE CH3 1 1 11 5143 1 1 1 ACE H1 H -0.336 0.735 1.955 1.00 . A A . 0 ACE H1 1 1 11 5144 1 1 1 ACE H2 H -0.329 -1.038 1.868 1.00 . A A . 0 ACE H2 1 1 11 5145 1 1 1 ACE H3 H -1.737 -0.136 1.273 1.00 . A A . 0 ACE H3 1 1 11 5146 1 1 1 ACE O O -0.773 -0.009 -1.014 1.00 . A A . 0 ACE O 1 1 11 5147 1 1 2 LYS C C 2.666 -1.383 -1.565 1.00 . A A . 1 LYS C 1 1 11 5148 1 1 2 LYS CA C 2.098 0.013 -1.265 1.00 . A A . 1 LYS CA 1 1 11 5149 1 1 2 LYS CB C 3.198 1.091 -1.120 1.00 . A A . 1 LYS CB 1 1 11 5150 1 1 2 LYS CD C 4.821 2.550 -2.465 1.00 . A A . 1 LYS CD 1 1 11 5151 1 1 2 LYS CE C 6.013 1.612 -2.693 1.00 . A A . 1 LYS CE 1 1 11 5152 1 1 2 LYS CG C 3.495 1.772 -2.466 1.00 . A A . 1 LYS CG 1 1 11 5153 1 1 2 LYS H H 1.810 -0.075 0.831 1.00 . A A . 1 LYS H 1 1 11 5154 1 1 2 LYS HA H 1.447 0.313 -2.088 1.00 . A A . 1 LYS HA 1 1 11 5155 1 1 2 LYS HB2 H 2.870 1.864 -0.422 1.00 . A A . 1 LYS HB2 1 1 11 5156 1 1 2 LYS HB3 H 4.110 0.656 -0.713 1.00 . A A . 1 LYS HB3 1 1 11 5157 1 1 2 LYS HD2 H 4.792 3.277 -3.277 1.00 . A A . 1 LYS HD2 1 1 11 5158 1 1 2 LYS HD3 H 4.942 3.089 -1.525 1.00 . A A . 1 LYS HD3 1 1 11 5159 1 1 2 LYS HE2 H 6.090 0.897 -1.874 1.00 . A A . 1 LYS HE2 1 1 11 5160 1 1 2 LYS HE3 H 5.849 1.063 -3.619 1.00 . A A . 1 LYS HE3 1 1 11 5161 1 1 2 LYS HG2 H 3.513 1.032 -3.266 1.00 . A A . 1 LYS HG2 1 1 11 5162 1 1 2 LYS HG3 H 2.683 2.472 -2.671 1.00 . A A . 1 LYS HG3 1 1 11 5163 1 1 2 LYS HZ1 H 7.936 1.817 -3.351 1.00 . A A . 1 LYS HZ1 1 1 11 5164 1 1 2 LYS HZ2 H 7.654 2.535 -1.892 1.00 . A A . 1 LYS HZ2 1 1 11 5165 1 1 2 LYS HZ3 H 7.102 3.237 -3.280 1.00 . A A . 1 LYS HZ3 1 1 11 5166 1 1 2 LYS N N 1.303 -0.050 -0.042 1.00 . A A . 1 LYS N 1 1 11 5167 1 1 2 LYS NZ N 7.276 2.359 -2.812 1.00 . A A . 1 LYS NZ 1 1 11 5168 1 1 2 LYS O O 3.722 -1.747 -1.044 1.00 . A A . 1 LYS O 1 1 11 5169 1 1 3 PHE C C 3.310 -3.501 -3.976 1.00 . A A . 2 PHE C 1 1 11 5170 1 1 3 PHE CA C 2.386 -3.528 -2.757 1.00 . A A . 2 PHE CA 1 1 11 5171 1 1 3 PHE CB C 1.174 -4.433 -3.016 1.00 . A A . 2 PHE CB 1 1 11 5172 1 1 3 PHE CD1 C 0.837 -5.716 -0.875 1.00 . A A . 2 PHE CD1 1 1 11 5173 1 1 3 PHE CD2 C -0.843 -4.075 -1.536 1.00 . A A . 2 PHE CD2 1 1 11 5174 1 1 3 PHE CE1 C 0.084 -6.028 0.268 1.00 . A A . 2 PHE CE1 1 1 11 5175 1 1 3 PHE CE2 C -1.596 -4.390 -0.393 1.00 . A A . 2 PHE CE2 1 1 11 5176 1 1 3 PHE CG C 0.369 -4.743 -1.779 1.00 . A A . 2 PHE CG 1 1 11 5177 1 1 3 PHE CZ C -1.134 -5.368 0.507 1.00 . A A . 2 PHE CZ 1 1 11 5178 1 1 3 PHE H H 1.106 -1.832 -2.799 1.00 . A A . 2 PHE H 1 1 11 5179 1 1 3 PHE HA H 2.945 -3.962 -1.927 1.00 . A A . 2 PHE HA 1 1 11 5180 1 1 3 PHE HB2 H 0.536 -3.982 -3.777 1.00 . A A . 2 PHE HB2 1 1 11 5181 1 1 3 PHE HB3 H 1.530 -5.388 -3.405 1.00 . A A . 2 PHE HB3 1 1 11 5182 1 1 3 PHE HD1 H 1.772 -6.227 -1.060 1.00 . A A . 2 PHE HD1 1 1 11 5183 1 1 3 PHE HD2 H -1.199 -3.325 -2.229 1.00 . A A . 2 PHE HD2 1 1 11 5184 1 1 3 PHE HE1 H 0.442 -6.778 0.959 1.00 . A A . 2 PHE HE1 1 1 11 5185 1 1 3 PHE HE2 H -2.531 -3.882 -0.210 1.00 . A A . 2 PHE HE2 1 1 11 5186 1 1 3 PHE HZ H -1.716 -5.614 1.382 1.00 . A A . 2 PHE HZ 1 1 11 5187 1 1 3 PHE N N 1.963 -2.176 -2.388 1.00 . A A . 2 PHE N 1 1 11 5188 1 1 3 PHE O O 3.018 -4.136 -4.991 1.00 . A A . 2 PHE O 1 1 11 5189 1 1 4 GLU C C 4.838 -1.939 -6.100 1.00 . A A . 3 GLU C 1 1 11 5190 1 1 4 GLU CA C 5.447 -2.707 -4.910 1.00 . A A . 3 GLU CA 1 1 11 5191 1 1 4 GLU CB C 5.980 -4.126 -5.241 1.00 . A A . 3 GLU CB 1 1 11 5192 1 1 4 GLU CD C 7.495 -4.898 -7.202 1.00 . A A . 3 GLU CD 1 1 11 5193 1 1 4 GLU CG C 7.391 -4.173 -5.849 1.00 . A A . 3 GLU CG 1 1 11 5194 1 1 4 GLU H H 4.620 -2.303 -2.993 1.00 . A A . 3 GLU H 1 1 11 5195 1 1 4 GLU HA H 6.274 -2.120 -4.507 1.00 . A A . 3 GLU HA 1 1 11 5196 1 1 4 GLU HB2 H 6.012 -4.704 -4.316 1.00 . A A . 3 GLU HB2 1 1 11 5197 1 1 4 GLU HB3 H 5.276 -4.639 -5.893 1.00 . A A . 3 GLU HB3 1 1 11 5198 1 1 4 GLU HG2 H 7.788 -3.166 -5.948 1.00 . A A . 3 GLU HG2 1 1 11 5199 1 1 4 GLU HG3 H 8.036 -4.690 -5.137 1.00 . A A . 3 GLU HG3 1 1 11 5200 1 1 4 GLU N N 4.450 -2.808 -3.853 1.00 . A A . 3 GLU N 1 1 11 5201 1 1 4 GLU O O 4.652 -2.489 -7.184 1.00 . A A . 3 GLU O 1 1 11 5202 1 1 4 GLU OE1 O 6.491 -4.829 -7.942 1.00 . A A . 3 GLU OE1 1 1 11 5203 1 1 4 GLU OE2 O 8.534 -5.543 -7.474 1.00 . A A . 3 GLU OE2 1 1 11 5204 1 1 5 ASP C C 4.393 1.683 -6.621 1.00 . A A . 4 ASP C 1 1 11 5205 1 1 5 ASP CA C 3.930 0.237 -6.883 1.00 . A A . 4 ASP CA 1 1 11 5206 1 1 5 ASP CB C 2.390 0.152 -6.853 1.00 . A A . 4 ASP CB 1 1 11 5207 1 1 5 ASP CG C 1.828 -1.268 -6.939 1.00 . A A . 4 ASP CG 1 1 11 5208 1 1 5 ASP H H 4.661 -0.258 -4.965 1.00 . A A . 4 ASP H 1 1 11 5209 1 1 5 ASP HA H 4.283 -0.059 -7.870 1.00 . A A . 4 ASP HA 1 1 11 5210 1 1 5 ASP HB2 H 2.030 0.615 -5.935 1.00 . A A . 4 ASP HB2 1 1 11 5211 1 1 5 ASP HB3 H 1.985 0.719 -7.690 1.00 . A A . 4 ASP HB3 1 1 11 5212 1 1 5 ASP N N 4.512 -0.655 -5.880 1.00 . A A . 4 ASP N 1 1 11 5213 1 1 5 ASP O O 5.078 1.959 -5.635 1.00 . A A . 4 ASP O 1 1 11 5214 1 1 5 ASP OD1 O 1.717 -1.784 -8.068 1.00 . A A . 4 ASP OD1 1 1 11 5215 1 1 5 ASP OD2 O 1.490 -1.800 -5.854 1.00 . A A . 4 ASP OD2 1 1 11 5216 1 1 6 TRP C C 3.150 4.846 -8.042 1.00 . A A . 5 TRP C 1 1 11 5217 1 1 6 TRP CA C 4.281 4.048 -7.385 1.00 . A A . 5 TRP CA 1 1 11 5218 1 1 6 TRP CB C 5.630 4.374 -8.035 1.00 . A A . 5 TRP CB 1 1 11 5219 1 1 6 TRP CD1 C 6.266 2.790 -9.900 1.00 . A A . 5 TRP CD1 1 1 11 5220 1 1 6 TRP CD2 C 5.316 4.656 -10.673 1.00 . A A . 5 TRP CD2 1 1 11 5221 1 1 6 TRP CE2 C 5.665 3.869 -11.810 1.00 . A A . 5 TRP CE2 1 1 11 5222 1 1 6 TRP CE3 C 4.655 5.875 -10.918 1.00 . A A . 5 TRP CE3 1 1 11 5223 1 1 6 TRP CG C 5.754 3.960 -9.469 1.00 . A A . 5 TRP CG 1 1 11 5224 1 1 6 TRP CH2 C 4.736 5.507 -13.315 1.00 . A A . 5 TRP CH2 1 1 11 5225 1 1 6 TRP CZ2 C 5.406 4.293 -13.122 1.00 . A A . 5 TRP CZ2 1 1 11 5226 1 1 6 TRP CZ3 C 4.341 6.286 -12.222 1.00 . A A . 5 TRP CZ3 1 1 11 5227 1 1 6 TRP H H 3.503 2.324 -8.328 1.00 . A A . 5 TRP H 1 1 11 5228 1 1 6 TRP HA H 4.321 4.320 -6.330 1.00 . A A . 5 TRP HA 1 1 11 5229 1 1 6 TRP HB2 H 5.811 5.447 -7.965 1.00 . A A . 5 TRP HB2 1 1 11 5230 1 1 6 TRP HB3 H 6.417 3.879 -7.465 1.00 . A A . 5 TRP HB3 1 1 11 5231 1 1 6 TRP HD1 H 6.643 2.017 -9.253 1.00 . A A . 5 TRP HD1 1 1 11 5232 1 1 6 TRP HE1 H 6.492 1.904 -11.792 1.00 . A A . 5 TRP HE1 1 1 11 5233 1 1 6 TRP HE3 H 4.404 6.507 -10.090 1.00 . A A . 5 TRP HE3 1 1 11 5234 1 1 6 TRP HH2 H 4.514 5.850 -14.301 1.00 . A A . 5 TRP HH2 1 1 11 5235 1 1 6 TRP HZ2 H 5.693 3.695 -13.971 1.00 . A A . 5 TRP HZ2 1 1 11 5236 1 1 6 TRP HZ3 H 3.824 7.213 -12.397 1.00 . A A . 5 TRP HZ3 1 1 11 5237 1 1 6 TRP N N 4.022 2.614 -7.506 1.00 . A A . 5 TRP N 1 1 11 5238 1 1 6 TRP NE1 N 6.218 2.728 -11.274 1.00 . A A . 5 TRP NE1 1 1 11 5239 1 1 6 TRP O O 2.351 4.275 -8.779 1.00 . A A . 5 TRP O 1 1 11 5240 1 1 7 LEU C C 2.730 8.163 -9.170 1.00 . A A . 6 LEU C 1 1 11 5241 1 1 7 LEU CA C 2.073 7.065 -8.318 1.00 . A A . 6 LEU CA 1 1 11 5242 1 1 7 LEU CB C 1.210 7.578 -7.149 1.00 . A A . 6 LEU CB 1 1 11 5243 1 1 7 LEU CD1 C 1.394 10.129 -7.029 1.00 . A A . 6 LEU CD1 1 1 11 5244 1 1 7 LEU CD2 C 1.340 8.747 -4.907 1.00 . A A . 6 LEU CD2 1 1 11 5245 1 1 7 LEU CG C 1.788 8.787 -6.374 1.00 . A A . 6 LEU CG 1 1 11 5246 1 1 7 LEU H H 3.802 6.582 -7.204 1.00 . A A . 6 LEU H 1 1 11 5247 1 1 7 LEU HA H 1.411 6.493 -8.965 1.00 . A A . 6 LEU HA 1 1 11 5248 1 1 7 LEU HB2 H 0.217 7.826 -7.528 1.00 . A A . 6 LEU HB2 1 1 11 5249 1 1 7 LEU HB3 H 1.068 6.747 -6.455 1.00 . A A . 6 LEU HB3 1 1 11 5250 1 1 7 LEU HD11 H 0.664 9.973 -7.822 1.00 . A A . 6 LEU HD11 1 1 11 5251 1 1 7 LEU HD12 H 2.279 10.600 -7.457 1.00 . A A . 6 LEU HD12 1 1 11 5252 1 1 7 LEU HD13 H 0.960 10.814 -6.301 1.00 . A A . 6 LEU HD13 1 1 11 5253 1 1 7 LEU HD21 H 1.816 7.900 -4.411 1.00 . A A . 6 LEU HD21 1 1 11 5254 1 1 7 LEU HD22 H 0.257 8.643 -4.845 1.00 . A A . 6 LEU HD22 1 1 11 5255 1 1 7 LEU HD23 H 1.651 9.660 -4.399 1.00 . A A . 6 LEU HD23 1 1 11 5256 1 1 7 LEU HG H 2.876 8.717 -6.360 1.00 . A A . 6 LEU HG 1 1 11 5257 1 1 7 LEU N N 3.096 6.162 -7.791 1.00 . A A . 6 LEU N 1 1 11 5258 1 1 7 LEU O O 3.766 8.709 -8.784 1.00 . A A . 6 LEU O 1 1 11 5259 1 1 8 CYS C C 2.596 10.827 -10.661 1.00 . A A . 7 CYS C 1 1 11 5260 1 1 8 CYS CA C 2.692 9.433 -11.281 1.00 . A A . 7 CYS CA 1 1 11 5261 1 1 8 CYS CB C 1.935 9.384 -12.615 1.00 . A A . 7 CYS CB 1 1 11 5262 1 1 8 CYS H H 1.342 7.929 -10.642 1.00 . A A . 7 CYS H 1 1 11 5263 1 1 8 CYS HA H 3.742 9.198 -11.467 1.00 . A A . 7 CYS HA 1 1 11 5264 1 1 8 CYS HB2 H 1.839 8.352 -12.953 1.00 . A A . 7 CYS HB2 1 1 11 5265 1 1 8 CYS HB3 H 0.946 9.820 -12.485 1.00 . A A . 7 CYS HB3 1 1 11 5266 1 1 8 CYS N N 2.167 8.440 -10.354 1.00 . A A . 7 CYS N 1 1 11 5267 1 1 8 CYS O O 1.591 11.175 -10.048 1.00 . A A . 7 CYS O 1 1 11 5268 1 1 8 CYS SG S 2.875 10.322 -13.856 1.00 . A A . 7 CYS SG 1 1 11 5269 1 1 9 ASN C C 3.046 14.022 -11.247 1.00 . A A . 8 ASN C 1 1 11 5270 1 1 9 ASN CA C 3.723 12.995 -10.318 1.00 . A A . 8 ASN CA 1 1 11 5271 1 1 9 ASN CB C 5.200 13.331 -10.051 1.00 . A A . 8 ASN CB 1 1 11 5272 1 1 9 ASN CG C 6.122 13.081 -11.250 1.00 . A A . 8 ASN CG 1 1 11 5273 1 1 9 ASN H H 4.395 11.324 -11.440 1.00 . A A . 8 ASN H 1 1 11 5274 1 1 9 ASN HA H 3.204 13.031 -9.360 1.00 . A A . 8 ASN HA 1 1 11 5275 1 1 9 ASN HB2 H 5.291 14.372 -9.740 1.00 . A A . 8 ASN HB2 1 1 11 5276 1 1 9 ASN HB3 H 5.535 12.714 -9.214 1.00 . A A . 8 ASN HB3 1 1 11 5277 1 1 9 ASN HD21 H 7.687 12.688 -10.007 1.00 . A A . 8 ASN HD21 1 1 11 5278 1 1 9 ASN HD22 H 8.031 12.590 -11.719 1.00 . A A . 8 ASN HD22 1 1 11 5279 1 1 9 ASN N N 3.643 11.632 -10.836 1.00 . A A . 8 ASN N 1 1 11 5280 1 1 9 ASN ND2 N 7.378 12.748 -10.965 1.00 . A A . 8 ASN ND2 1 1 11 5281 1 1 9 ASN O O 3.321 15.218 -11.138 1.00 . A A . 8 ASN O 1 1 11 5282 1 1 9 ASN OD1 O 5.719 13.162 -12.409 1.00 . A A . 8 ASN OD1 1 1 11 5283 1 1 10 LYS C C -0.015 14.138 -13.100 1.00 . A A . 9 LYS C 1 1 11 5284 1 1 10 LYS CA C 1.492 14.404 -13.137 1.00 . A A . 9 LYS CA 1 1 11 5285 1 1 10 LYS CB C 2.138 14.165 -14.519 1.00 . A A . 9 LYS CB 1 1 11 5286 1 1 10 LYS CD C 1.476 16.228 -15.977 1.00 . A A . 9 LYS CD 1 1 11 5287 1 1 10 LYS CE C 0.561 17.064 -15.075 1.00 . A A . 9 LYS CE 1 1 11 5288 1 1 10 LYS CG C 2.576 15.453 -15.235 1.00 . A A . 9 LYS CG 1 1 11 5289 1 1 10 LYS H H 1.980 12.576 -12.182 1.00 . A A . 9 LYS H 1 1 11 5290 1 1 10 LYS HA H 1.638 15.449 -12.866 1.00 . A A . 9 LYS HA 1 1 11 5291 1 1 10 LYS HB2 H 3.040 13.563 -14.386 1.00 . A A . 9 LYS HB2 1 1 11 5292 1 1 10 LYS HB3 H 1.474 13.595 -15.169 1.00 . A A . 9 LYS HB3 1 1 11 5293 1 1 10 LYS HD2 H 1.979 16.902 -16.671 1.00 . A A . 9 LYS HD2 1 1 11 5294 1 1 10 LYS HD3 H 0.868 15.539 -16.564 1.00 . A A . 9 LYS HD3 1 1 11 5295 1 1 10 LYS HE2 H -0.276 16.450 -14.744 1.00 . A A . 9 LYS HE2 1 1 11 5296 1 1 10 LYS HE3 H 1.119 17.407 -14.204 1.00 . A A . 9 LYS HE3 1 1 11 5297 1 1 10 LYS HG2 H 3.079 16.115 -14.528 1.00 . A A . 9 LYS HG2 1 1 11 5298 1 1 10 LYS HG3 H 3.315 15.163 -15.982 1.00 . A A . 9 LYS HG3 1 1 11 5299 1 1 10 LYS HZ1 H -0.381 17.950 -16.663 1.00 . A A . 9 LYS HZ1 1 1 11 5300 1 1 10 LYS HZ2 H 0.813 18.868 -15.997 1.00 . A A . 9 LYS HZ2 1 1 11 5301 1 1 10 LYS HZ3 H -0.636 18.723 -15.225 1.00 . A A . 9 LYS HZ3 1 1 11 5302 1 1 10 LYS N N 2.152 13.570 -12.139 1.00 . A A . 9 LYS N 1 1 11 5303 1 1 10 LYS NZ N 0.045 18.243 -15.795 1.00 . A A . 9 LYS NZ 1 1 11 5304 1 1 10 LYS O O -0.782 15.036 -12.755 1.00 . A A . 9 LYS O 1 1 11 5305 1 1 11 CYS C C -2.267 11.781 -12.163 1.00 . A A . 10 CYS C 1 1 11 5306 1 1 11 CYS CA C -1.829 12.490 -13.454 1.00 . A A . 10 CYS CA 1 1 11 5307 1 1 11 CYS CB C -2.048 11.568 -14.651 1.00 . A A . 10 CYS CB 1 1 11 5308 1 1 11 CYS H H 0.247 12.222 -13.729 1.00 . A A . 10 CYS H 1 1 11 5309 1 1 11 CYS HA H -2.467 13.363 -13.591 1.00 . A A . 10 CYS HA 1 1 11 5310 1 1 11 CYS HB2 H -3.071 11.213 -14.640 1.00 . A A . 10 CYS HB2 1 1 11 5311 1 1 11 CYS HB3 H -1.855 12.099 -15.583 1.00 . A A . 10 CYS HB3 1 1 11 5312 1 1 11 CYS N N -0.432 12.912 -13.441 1.00 . A A . 10 CYS N 1 1 11 5313 1 1 11 CYS O O -3.451 11.468 -12.031 1.00 . A A . 10 CYS O 1 1 11 5314 1 1 11 CYS SG S -0.949 10.149 -14.522 1.00 . A A . 10 CYS SG 1 1 11 5315 1 1 12 CYS C C -2.024 9.368 -10.131 1.00 . A A . 11 CYS C 1 1 11 5316 1 1 12 CYS CA C -1.591 10.840 -9.958 1.00 . A A . 11 CYS CA 1 1 11 5317 1 1 12 CYS CB C -2.576 11.648 -9.089 1.00 . A A . 11 CYS CB 1 1 11 5318 1 1 12 CYS H H -0.383 11.807 -11.402 1.00 . A A . 11 CYS H 1 1 11 5319 1 1 12 CYS HA H -0.657 10.825 -9.407 1.00 . A A . 11 CYS HA 1 1 11 5320 1 1 12 CYS HB2 H -3.586 11.544 -9.483 1.00 . A A . 11 CYS HB2 1 1 11 5321 1 1 12 CYS HB3 H -2.556 11.252 -8.075 1.00 . A A . 11 CYS HB3 1 1 11 5322 1 1 12 CYS HG H -2.313 13.636 -10.331 1.00 . A A . 11 CYS HG 1 1 11 5323 1 1 12 CYS N N -1.338 11.523 -11.228 1.00 . A A . 11 CYS N 1 1 11 5324 1 1 12 CYS O O -2.559 8.779 -9.191 1.00 . A A . 11 CYS O 1 1 11 5325 1 1 12 CYS SG S -2.155 13.415 -9.022 1.00 . A A . 11 CYS SG 1 1 11 5326 1 1 13 LEU C C -1.148 6.421 -10.978 1.00 . A A . 12 LEU C 1 1 11 5327 1 1 13 LEU CA C -2.162 7.382 -11.614 1.00 . A A . 12 LEU CA 1 1 11 5328 1 1 13 LEU CB C -2.194 7.168 -13.139 1.00 . A A . 12 LEU CB 1 1 11 5329 1 1 13 LEU CD1 C -4.290 5.800 -13.670 1.00 . A A . 12 LEU CD1 1 1 11 5330 1 1 13 LEU CD2 C -2.066 5.181 -14.770 1.00 . A A . 12 LEU CD2 1 1 11 5331 1 1 13 LEU CG C -2.759 5.778 -13.529 1.00 . A A . 12 LEU CG 1 1 11 5332 1 1 13 LEU H H -1.313 9.281 -12.037 1.00 . A A . 12 LEU H 1 1 11 5333 1 1 13 LEU HA H -3.158 7.193 -11.209 1.00 . A A . 12 LEU HA 1 1 11 5334 1 1 13 LEU HB2 H -2.802 7.944 -13.607 1.00 . A A . 12 LEU HB2 1 1 11 5335 1 1 13 LEU HB3 H -1.173 7.274 -13.507 1.00 . A A . 12 LEU HB3 1 1 11 5336 1 1 13 LEU HD11 H -4.728 6.500 -12.958 1.00 . A A . 12 LEU HD11 1 1 11 5337 1 1 13 LEU HD12 H -4.683 4.804 -13.458 1.00 . A A . 12 LEU HD12 1 1 11 5338 1 1 13 LEU HD13 H -4.582 6.093 -14.679 1.00 . A A . 12 LEU HD13 1 1 11 5339 1 1 13 LEU HD21 H -2.794 4.889 -15.527 1.00 . A A . 12 LEU HD21 1 1 11 5340 1 1 13 LEU HD22 H -1.504 4.293 -14.480 1.00 . A A . 12 LEU HD22 1 1 11 5341 1 1 13 LEU HD23 H -1.365 5.889 -15.209 1.00 . A A . 12 LEU HD23 1 1 11 5342 1 1 13 LEU HG H -2.556 5.084 -12.721 1.00 . A A . 12 LEU HG 1 1 11 5343 1 1 13 LEU N N -1.792 8.764 -11.311 1.00 . A A . 12 LEU N 1 1 11 5344 1 1 13 LEU O O 0.056 6.630 -11.109 1.00 . A A . 12 LEU O 1 1 11 5345 1 1 14 ASN C C -0.214 3.411 -10.982 1.00 . A A . 13 ASN C 1 1 11 5346 1 1 14 ASN CA C -0.769 4.275 -9.838 1.00 . A A . 13 ASN CA 1 1 11 5347 1 1 14 ASN CB C -1.516 3.395 -8.822 1.00 . A A . 13 ASN CB 1 1 11 5348 1 1 14 ASN CG C -0.746 3.326 -7.503 1.00 . A A . 13 ASN CG 1 1 11 5349 1 1 14 ASN H H -2.626 5.197 -10.300 1.00 . A A . 13 ASN H 1 1 11 5350 1 1 14 ASN HA H 0.060 4.759 -9.328 1.00 . A A . 13 ASN HA 1 1 11 5351 1 1 14 ASN HB2 H -2.515 3.790 -8.631 1.00 . A A . 13 ASN HB2 1 1 11 5352 1 1 14 ASN HB3 H -1.632 2.386 -9.222 1.00 . A A . 13 ASN HB3 1 1 11 5353 1 1 14 ASN HD21 H -1.196 5.266 -7.078 1.00 . A A . 13 ASN HD21 1 1 11 5354 1 1 14 ASN HD22 H -0.223 4.436 -5.882 1.00 . A A . 13 ASN HD22 1 1 11 5355 1 1 14 ASN N N -1.629 5.348 -10.332 1.00 . A A . 13 ASN N 1 1 11 5356 1 1 14 ASN ND2 N -0.724 4.433 -6.757 1.00 . A A . 13 ASN ND2 1 1 11 5357 1 1 14 ASN O O -0.831 3.306 -12.040 1.00 . A A . 13 ASN O 1 1 11 5358 1 1 14 ASN OD1 O -0.170 2.297 -7.165 1.00 . A A . 13 ASN OD1 1 1 11 5359 1 1 15 ASN C C 2.538 0.920 -10.983 1.00 . A A . 14 ASN C 1 1 11 5360 1 1 15 ASN CA C 1.621 1.905 -11.711 1.00 . A A . 14 ASN CA 1 1 11 5361 1 1 15 ASN CB C 2.462 2.751 -12.679 1.00 . A A . 14 ASN CB 1 1 11 5362 1 1 15 ASN CG C 1.642 3.379 -13.805 1.00 . A A . 14 ASN CG 1 1 11 5363 1 1 15 ASN H H 1.397 2.894 -9.857 1.00 . A A . 14 ASN H 1 1 11 5364 1 1 15 ASN HA H 0.879 1.332 -12.267 1.00 . A A . 14 ASN HA 1 1 11 5365 1 1 15 ASN HB2 H 2.953 3.538 -12.107 1.00 . A A . 14 ASN HB2 1 1 11 5366 1 1 15 ASN HB3 H 3.234 2.126 -13.131 1.00 . A A . 14 ASN HB3 1 1 11 5367 1 1 15 ASN HD21 H 1.057 1.555 -14.498 1.00 . A A . 14 ASN HD21 1 1 11 5368 1 1 15 ASN HD22 H 0.429 2.935 -15.372 1.00 . A A . 14 ASN HD22 1 1 11 5369 1 1 15 ASN N N 0.940 2.772 -10.754 1.00 . A A . 14 ASN N 1 1 11 5370 1 1 15 ASN ND2 N 1.013 2.552 -14.644 1.00 . A A . 14 ASN ND2 1 1 11 5371 1 1 15 ASN O O 3.077 1.242 -9.926 1.00 . A A . 14 ASN O 1 1 11 5372 1 1 15 ASN OD1 O 1.579 4.598 -13.927 1.00 . A A . 14 ASN OD1 1 1 11 5373 1 1 16 PHE C C 5.024 -0.845 -10.818 1.00 . A A . 15 PHE C 1 1 11 5374 1 1 16 PHE CA C 3.582 -1.326 -11.017 1.00 . A A . 15 PHE CA 1 1 11 5375 1 1 16 PHE CB C 3.539 -2.579 -11.913 1.00 . A A . 15 PHE CB 1 1 11 5376 1 1 16 PHE CD1 C 1.556 -4.027 -11.280 1.00 . A A . 15 PHE CD1 1 1 11 5377 1 1 16 PHE CD2 C 3.767 -4.651 -10.468 1.00 . A A . 15 PHE CD2 1 1 11 5378 1 1 16 PHE CE1 C 1.001 -5.137 -10.619 1.00 . A A . 15 PHE CE1 1 1 11 5379 1 1 16 PHE CE2 C 3.210 -5.760 -9.807 1.00 . A A . 15 PHE CE2 1 1 11 5380 1 1 16 PHE CG C 2.943 -3.786 -11.215 1.00 . A A . 15 PHE CG 1 1 11 5381 1 1 16 PHE CZ C 1.828 -6.006 -9.887 1.00 . A A . 15 PHE CZ 1 1 11 5382 1 1 16 PHE H H 2.300 -0.450 -12.466 1.00 . A A . 15 PHE H 1 1 11 5383 1 1 16 PHE HA H 3.175 -1.588 -10.044 1.00 . A A . 15 PHE HA 1 1 11 5384 1 1 16 PHE HB2 H 2.966 -2.380 -12.822 1.00 . A A . 15 PHE HB2 1 1 11 5385 1 1 16 PHE HB3 H 4.550 -2.835 -12.237 1.00 . A A . 15 PHE HB3 1 1 11 5386 1 1 16 PHE HD1 H 0.912 -3.356 -11.830 1.00 . A A . 15 PHE HD1 1 1 11 5387 1 1 16 PHE HD2 H 4.828 -4.464 -10.390 1.00 . A A . 15 PHE HD2 1 1 11 5388 1 1 16 PHE HE1 H -0.063 -5.318 -10.669 1.00 . A A . 15 PHE HE1 1 1 11 5389 1 1 16 PHE HE2 H 3.845 -6.418 -9.232 1.00 . A A . 15 PHE HE2 1 1 11 5390 1 1 16 PHE HZ H 1.401 -6.858 -9.379 1.00 . A A . 15 PHE HZ 1 1 11 5391 1 1 16 PHE N N 2.740 -0.267 -11.576 1.00 . A A . 15 PHE N 1 1 11 5392 1 1 16 PHE O O 5.516 -0.038 -11.601 1.00 . A A . 15 PHE O 1 1 11 5393 1 1 17 ARG C C 8.024 -1.480 -10.724 1.00 . A A . 16 ARG C 1 1 11 5394 1 1 17 ARG CA C 7.134 -1.011 -9.572 1.00 . A A . 16 ARG CA 1 1 11 5395 1 1 17 ARG CB C 7.642 -1.555 -8.230 1.00 . A A . 16 ARG CB 1 1 11 5396 1 1 17 ARG CD C 9.174 -0.067 -6.817 1.00 . A A . 16 ARG CD 1 1 11 5397 1 1 17 ARG CG C 7.730 -0.470 -7.140 1.00 . A A . 16 ARG CG 1 1 11 5398 1 1 17 ARG CZ C 10.784 -0.413 -4.937 1.00 . A A . 16 ARG CZ 1 1 11 5399 1 1 17 ARG H H 5.280 -1.992 -9.148 1.00 . A A . 16 ARG H 1 1 11 5400 1 1 17 ARG HA H 7.213 0.072 -9.555 1.00 . A A . 16 ARG HA 1 1 11 5401 1 1 17 ARG HB2 H 6.967 -2.332 -7.904 1.00 . A A . 16 ARG HB2 1 1 11 5402 1 1 17 ARG HB3 H 8.615 -2.030 -8.361 1.00 . A A . 16 ARG HB3 1 1 11 5403 1 1 17 ARG HD2 H 9.827 -0.286 -7.663 1.00 . A A . 16 ARG HD2 1 1 11 5404 1 1 17 ARG HD3 H 9.193 1.007 -6.636 1.00 . A A . 16 ARG HD3 1 1 11 5405 1 1 17 ARG HE H 9.103 -1.506 -5.256 1.00 . A A . 16 ARG HE 1 1 11 5406 1 1 17 ARG HG2 H 7.173 0.416 -7.443 1.00 . A A . 16 ARG HG2 1 1 11 5407 1 1 17 ARG HG3 H 7.267 -0.834 -6.226 1.00 . A A . 16 ARG HG3 1 1 11 5408 1 1 17 ARG HH11 H 11.406 0.999 -6.267 1.00 . A A . 16 ARG HH11 1 1 11 5409 1 1 17 ARG HH12 H 12.435 0.793 -4.873 1.00 . A A . 16 ARG HH12 1 1 11 5410 1 1 17 ARG HH21 H 10.476 -1.756 -3.426 1.00 . A A . 16 ARG HH21 1 1 11 5411 1 1 17 ARG HH22 H 11.909 -0.777 -3.273 1.00 . A A . 16 ARG HH22 1 1 11 5412 1 1 17 ARG N N 5.723 -1.344 -9.790 1.00 . A A . 16 ARG N 1 1 11 5413 1 1 17 ARG NE N 9.673 -0.751 -5.612 1.00 . A A . 16 ARG NE 1 1 11 5414 1 1 17 ARG NH1 N 11.603 0.545 -5.388 1.00 . A A . 16 ARG NH1 1 1 11 5415 1 1 17 ARG NH2 N 11.078 -1.031 -3.788 1.00 . A A . 16 ARG NH2 1 1 11 5416 1 1 17 ARG O O 9.016 -0.815 -11.018 1.00 . A A . 16 ARG O 1 1 11 5417 1 1 18 LYS C C 8.215 -2.049 -13.741 1.00 . A A . 17 LYS C 1 1 11 5418 1 1 18 LYS CA C 8.319 -3.065 -12.591 1.00 . A A . 17 LYS CA 1 1 11 5419 1 1 18 LYS CB C 7.724 -4.423 -12.995 1.00 . A A . 17 LYS CB 1 1 11 5420 1 1 18 LYS CD C 7.742 -6.329 -14.657 1.00 . A A . 17 LYS CD 1 1 11 5421 1 1 18 LYS CE C 8.079 -6.681 -16.107 1.00 . A A . 17 LYS CE 1 1 11 5422 1 1 18 LYS CG C 8.310 -4.953 -14.315 1.00 . A A . 17 LYS CG 1 1 11 5423 1 1 18 LYS H H 6.848 -3.100 -11.062 1.00 . A A . 17 LYS H 1 1 11 5424 1 1 18 LYS HA H 9.375 -3.213 -12.360 1.00 . A A . 17 LYS HA 1 1 11 5425 1 1 18 LYS HB2 H 7.923 -5.144 -12.201 1.00 . A A . 17 LYS HB2 1 1 11 5426 1 1 18 LYS HB3 H 6.643 -4.317 -13.108 1.00 . A A . 17 LYS HB3 1 1 11 5427 1 1 18 LYS HD2 H 8.156 -7.078 -13.981 1.00 . A A . 17 LYS HD2 1 1 11 5428 1 1 18 LYS HD3 H 6.657 -6.301 -14.549 1.00 . A A . 17 LYS HD3 1 1 11 5429 1 1 18 LYS HE2 H 7.708 -5.884 -16.752 1.00 . A A . 17 LYS HE2 1 1 11 5430 1 1 18 LYS HE3 H 9.159 -6.760 -16.231 1.00 . A A . 17 LYS HE3 1 1 11 5431 1 1 18 LYS HG2 H 8.046 -4.275 -15.126 1.00 . A A . 17 LYS HG2 1 1 11 5432 1 1 18 LYS HG3 H 9.398 -5.012 -14.241 1.00 . A A . 17 LYS HG3 1 1 11 5433 1 1 18 LYS HZ1 H 8.119 -8.693 -16.465 1.00 . A A . 17 LYS HZ1 1 1 11 5434 1 1 18 LYS HZ2 H 7.087 -7.860 -17.448 1.00 . A A . 17 LYS HZ2 1 1 11 5435 1 1 18 LYS HZ3 H 6.679 -8.146 -15.876 1.00 . A A . 17 LYS HZ3 1 1 11 5436 1 1 18 LYS N N 7.661 -2.592 -11.380 1.00 . A A . 17 LYS N 1 1 11 5437 1 1 18 LYS NZ N 7.442 -7.945 -16.507 1.00 . A A . 17 LYS NZ 1 1 11 5438 1 1 18 LYS O O 9.112 -2.020 -14.586 1.00 . A A . 17 LYS O 1 1 11 5439 1 1 19 ARG C C 8.115 0.725 -14.925 1.00 . A A . 18 ARG C 1 1 11 5440 1 1 19 ARG CA C 6.932 -0.250 -14.849 1.00 . A A . 18 ARG CA 1 1 11 5441 1 1 19 ARG CB C 5.626 0.548 -14.640 1.00 . A A . 18 ARG CB 1 1 11 5442 1 1 19 ARG CD C 3.617 -0.173 -15.973 1.00 . A A . 18 ARG CD 1 1 11 5443 1 1 19 ARG CG C 4.823 0.776 -15.929 1.00 . A A . 18 ARG CG 1 1 11 5444 1 1 19 ARG CZ C 3.583 -1.027 -18.319 1.00 . A A . 18 ARG CZ 1 1 11 5445 1 1 19 ARG H H 6.472 -1.260 -13.037 1.00 . A A . 18 ARG H 1 1 11 5446 1 1 19 ARG HA H 6.864 -0.801 -15.788 1.00 . A A . 18 ARG HA 1 1 11 5447 1 1 19 ARG HB2 H 4.979 0.043 -13.930 1.00 . A A . 18 ARG HB2 1 1 11 5448 1 1 19 ARG HB3 H 5.881 1.518 -14.216 1.00 . A A . 18 ARG HB3 1 1 11 5449 1 1 19 ARG HD2 H 3.913 -1.163 -15.624 1.00 . A A . 18 ARG HD2 1 1 11 5450 1 1 19 ARG HD3 H 2.846 0.208 -15.301 1.00 . A A . 18 ARG HD3 1 1 11 5451 1 1 19 ARG HE H 2.208 0.226 -17.505 1.00 . A A . 18 ARG HE 1 1 11 5452 1 1 19 ARG HG2 H 4.451 1.801 -15.950 1.00 . A A . 18 ARG HG2 1 1 11 5453 1 1 19 ARG HG3 H 5.460 0.628 -16.802 1.00 . A A . 18 ARG HG3 1 1 11 5454 1 1 19 ARG HH11 H 5.156 -1.748 -17.238 1.00 . A A . 18 ARG HH11 1 1 11 5455 1 1 19 ARG HH12 H 5.088 -2.289 -18.895 1.00 . A A . 18 ARG HH12 1 1 11 5456 1 1 19 ARG HH21 H 2.143 -0.504 -19.670 1.00 . A A . 18 ARG HH21 1 1 11 5457 1 1 19 ARG HH22 H 3.369 -1.591 -20.267 1.00 . A A . 18 ARG HH22 1 1 11 5458 1 1 19 ARG N N 7.139 -1.242 -13.797 1.00 . A A . 18 ARG N 1 1 11 5459 1 1 19 ARG NE N 3.057 -0.290 -17.326 1.00 . A A . 18 ARG NE 1 1 11 5460 1 1 19 ARG NH1 N 4.699 -1.748 -18.138 1.00 . A A . 18 ARG NH1 1 1 11 5461 1 1 19 ARG NH2 N 2.984 -1.042 -19.513 1.00 . A A . 18 ARG NH2 1 1 11 5462 1 1 19 ARG O O 8.882 0.882 -13.973 1.00 . A A . 18 ARG O 1 1 11 5463 1 1 20 LEU C C 8.705 3.797 -16.268 1.00 . A A . 19 LEU C 1 1 11 5464 1 1 20 LEU CA C 9.265 2.379 -16.337 1.00 . A A . 19 LEU CA 1 1 11 5465 1 1 20 LEU CB C 9.987 2.085 -17.664 1.00 . A A . 19 LEU CB 1 1 11 5466 1 1 20 LEU CD1 C 9.922 2.099 -20.169 1.00 . A A . 19 LEU CD1 1 1 11 5467 1 1 20 LEU CD2 C 8.641 0.298 -18.948 1.00 . A A . 19 LEU CD2 1 1 11 5468 1 1 20 LEU CG C 9.115 1.768 -18.905 1.00 . A A . 19 LEU CG 1 1 11 5469 1 1 20 LEU H H 7.524 1.266 -16.784 1.00 . A A . 19 LEU H 1 1 11 5470 1 1 20 LEU HA H 10.023 2.311 -15.557 1.00 . A A . 19 LEU HA 1 1 11 5471 1 1 20 LEU HB2 H 10.607 2.956 -17.878 1.00 . A A . 19 LEU HB2 1 1 11 5472 1 1 20 LEU HB3 H 10.672 1.253 -17.497 1.00 . A A . 19 LEU HB3 1 1 11 5473 1 1 20 LEU HD11 H 10.154 3.165 -20.183 1.00 . A A . 19 LEU HD11 1 1 11 5474 1 1 20 LEU HD12 H 9.338 1.865 -21.059 1.00 . A A . 19 LEU HD12 1 1 11 5475 1 1 20 LEU HD13 H 10.852 1.529 -20.183 1.00 . A A . 19 LEU HD13 1 1 11 5476 1 1 20 LEU HD21 H 7.673 0.205 -18.455 1.00 . A A . 19 LEU HD21 1 1 11 5477 1 1 20 LEU HD22 H 9.357 -0.356 -18.451 1.00 . A A . 19 LEU HD22 1 1 11 5478 1 1 20 LEU HD23 H 8.525 -0.039 -19.979 1.00 . A A . 19 LEU HD23 1 1 11 5479 1 1 20 LEU HG H 8.235 2.409 -18.912 1.00 . A A . 19 LEU HG 1 1 11 5480 1 1 20 LEU N N 8.222 1.404 -16.068 1.00 . A A . 19 LEU N 1 1 11 5481 1 1 20 LEU O O 9.330 4.659 -15.659 1.00 . A A . 19 LEU O 1 1 11 5482 1 1 21 LYS C C 5.428 5.210 -16.993 1.00 . A A . 20 LYS C 1 1 11 5483 1 1 21 LYS CA C 6.944 5.355 -17.011 1.00 . A A . 20 LYS CA 1 1 11 5484 1 1 21 LYS CB C 7.449 6.033 -18.298 1.00 . A A . 20 LYS CB 1 1 11 5485 1 1 21 LYS CD C 7.846 5.587 -20.773 1.00 . A A . 20 LYS CD 1 1 11 5486 1 1 21 LYS CE C 7.371 4.681 -21.910 1.00 . A A . 20 LYS CE 1 1 11 5487 1 1 21 LYS CG C 6.917 5.366 -19.576 1.00 . A A . 20 LYS CG 1 1 11 5488 1 1 21 LYS H H 7.027 3.274 -17.291 1.00 . A A . 20 LYS H 1 1 11 5489 1 1 21 LYS HA H 7.235 5.958 -16.151 1.00 . A A . 20 LYS HA 1 1 11 5490 1 1 21 LYS HB2 H 7.140 7.078 -18.307 1.00 . A A . 20 LYS HB2 1 1 11 5491 1 1 21 LYS HB3 H 8.539 6.007 -18.291 1.00 . A A . 20 LYS HB3 1 1 11 5492 1 1 21 LYS HD2 H 7.803 6.633 -21.080 1.00 . A A . 20 LYS HD2 1 1 11 5493 1 1 21 LYS HD3 H 8.871 5.326 -20.509 1.00 . A A . 20 LYS HD3 1 1 11 5494 1 1 21 LYS HE2 H 7.585 3.642 -21.654 1.00 . A A . 20 LYS HE2 1 1 11 5495 1 1 21 LYS HE3 H 6.294 4.800 -22.022 1.00 . A A . 20 LYS HE3 1 1 11 5496 1 1 21 LYS HG2 H 6.808 4.294 -19.417 1.00 . A A . 20 LYS HG2 1 1 11 5497 1 1 21 LYS HG3 H 5.933 5.780 -19.805 1.00 . A A . 20 LYS HG3 1 1 11 5498 1 1 21 LYS HZ1 H 7.364 4.858 -23.939 1.00 . A A . 20 LYS HZ1 1 1 11 5499 1 1 21 LYS HZ2 H 8.830 4.419 -23.321 1.00 . A A . 20 LYS HZ2 1 1 11 5500 1 1 21 LYS HZ3 H 8.305 5.978 -23.180 1.00 . A A . 20 LYS HZ3 1 1 11 5501 1 1 21 LYS N N 7.544 4.038 -16.883 1.00 . A A . 20 LYS N 1 1 11 5502 1 1 21 LYS NZ N 8.021 5.009 -23.187 1.00 . A A . 20 LYS NZ 1 1 11 5503 1 1 21 LYS O O 4.892 4.122 -17.223 1.00 . A A . 20 LYS O 1 1 11 5504 1 1 22 CYS C C 2.717 6.025 -17.959 1.00 . A A . 21 CYS C 1 1 11 5505 1 1 22 CYS CA C 3.310 6.352 -16.601 1.00 . A A . 21 CYS CA 1 1 11 5506 1 1 22 CYS CB C 2.841 7.711 -16.096 1.00 . A A . 21 CYS CB 1 1 11 5507 1 1 22 CYS H H 5.243 7.191 -16.555 1.00 . A A . 21 CYS H 1 1 11 5508 1 1 22 CYS HA H 3.005 5.593 -15.881 1.00 . A A . 21 CYS HA 1 1 11 5509 1 1 22 CYS HB2 H 3.394 7.978 -15.196 1.00 . A A . 21 CYS HB2 1 1 11 5510 1 1 22 CYS HB3 H 2.977 8.474 -16.863 1.00 . A A . 21 CYS HB3 1 1 11 5511 1 1 22 CYS N N 4.749 6.320 -16.706 1.00 . A A . 21 CYS N 1 1 11 5512 1 1 22 CYS O O 3.047 6.668 -18.951 1.00 . A A . 21 CYS O 1 1 11 5513 1 1 22 CYS SG S 1.089 7.513 -15.711 1.00 . A A . 21 CYS SG 1 1 11 5514 1 1 23 PHE C C 0.084 5.517 -19.632 1.00 . A A . 22 PHE C 1 1 11 5515 1 1 23 PHE CA C 1.235 4.576 -19.238 1.00 . A A . 22 PHE CA 1 1 11 5516 1 1 23 PHE CB C 0.779 3.117 -19.108 1.00 . A A . 22 PHE CB 1 1 11 5517 1 1 23 PHE CD1 C 1.930 2.112 -21.124 1.00 . A A . 22 PHE CD1 1 1 11 5518 1 1 23 PHE CD2 C -0.499 1.975 -20.989 1.00 . A A . 22 PHE CD2 1 1 11 5519 1 1 23 PHE CE1 C 1.902 1.441 -22.358 1.00 . A A . 22 PHE CE1 1 1 11 5520 1 1 23 PHE CE2 C -0.525 1.295 -22.220 1.00 . A A . 22 PHE CE2 1 1 11 5521 1 1 23 PHE CG C 0.730 2.382 -20.435 1.00 . A A . 22 PHE CG 1 1 11 5522 1 1 23 PHE CZ C 0.674 1.029 -22.905 1.00 . A A . 22 PHE CZ 1 1 11 5523 1 1 23 PHE H H 1.639 4.509 -17.149 1.00 . A A . 22 PHE H 1 1 11 5524 1 1 23 PHE HA H 1.991 4.620 -20.024 1.00 . A A . 22 PHE HA 1 1 11 5525 1 1 23 PHE HB2 H 1.483 2.578 -18.471 1.00 . A A . 22 PHE HB2 1 1 11 5526 1 1 23 PHE HB3 H -0.196 3.085 -18.620 1.00 . A A . 22 PHE HB3 1 1 11 5527 1 1 23 PHE HD1 H 2.876 2.431 -20.712 1.00 . A A . 22 PHE HD1 1 1 11 5528 1 1 23 PHE HD2 H -1.426 2.185 -20.475 1.00 . A A . 22 PHE HD2 1 1 11 5529 1 1 23 PHE HE1 H 2.823 1.246 -22.888 1.00 . A A . 22 PHE HE1 1 1 11 5530 1 1 23 PHE HE2 H -1.468 0.981 -22.644 1.00 . A A . 22 PHE HE2 1 1 11 5531 1 1 23 PHE HZ H 0.652 0.511 -23.853 1.00 . A A . 22 PHE HZ 1 1 11 5532 1 1 23 PHE N N 1.872 4.995 -18.003 1.00 . A A . 22 PHE N 1 1 11 5533 1 1 23 PHE O O -0.362 5.468 -20.777 1.00 . A A . 22 PHE O 1 1 11 5534 1 1 24 ARG C C -0.999 8.536 -19.662 1.00 . A A . 23 ARG C 1 1 11 5535 1 1 24 ARG CA C -1.500 7.280 -18.934 1.00 . A A . 23 ARG CA 1 1 11 5536 1 1 24 ARG CB C -2.232 7.609 -17.618 1.00 . A A . 23 ARG CB 1 1 11 5537 1 1 24 ARG CD C -3.959 9.436 -16.985 1.00 . A A . 23 ARG CD 1 1 11 5538 1 1 24 ARG CG C -3.602 8.257 -17.899 1.00 . A A . 23 ARG CG 1 1 11 5539 1 1 24 ARG CZ C -5.385 9.848 -14.975 1.00 . A A . 23 ARG CZ 1 1 11 5540 1 1 24 ARG H H 0.050 6.391 -17.790 1.00 . A A . 23 ARG H 1 1 11 5541 1 1 24 ARG HA H -2.216 6.773 -19.583 1.00 . A A . 23 ARG HA 1 1 11 5542 1 1 24 ARG HB2 H -2.408 6.682 -17.077 1.00 . A A . 23 ARG HB2 1 1 11 5543 1 1 24 ARG HB3 H -1.612 8.255 -16.996 1.00 . A A . 23 ARG HB3 1 1 11 5544 1 1 24 ARG HD2 H -3.060 10.005 -16.748 1.00 . A A . 23 ARG HD2 1 1 11 5545 1 1 24 ARG HD3 H -4.632 10.087 -17.543 1.00 . A A . 23 ARG HD3 1 1 11 5546 1 1 24 ARG HE H -4.566 8.058 -15.485 1.00 . A A . 23 ARG HE 1 1 11 5547 1 1 24 ARG HG2 H -3.612 8.638 -18.920 1.00 . A A . 23 ARG HG2 1 1 11 5548 1 1 24 ARG HG3 H -4.378 7.493 -17.835 1.00 . A A . 23 ARG HG3 1 1 11 5549 1 1 24 ARG HH11 H -5.004 11.553 -16.029 1.00 . A A . 23 ARG HH11 1 1 11 5550 1 1 24 ARG HH12 H -6.045 11.757 -14.644 1.00 . A A . 23 ARG HH12 1 1 11 5551 1 1 24 ARG HH21 H -5.974 8.374 -13.689 1.00 . A A . 23 ARG HH21 1 1 11 5552 1 1 24 ARG HH22 H -6.574 9.970 -13.324 1.00 . A A . 23 ARG HH22 1 1 11 5553 1 1 24 ARG N N -0.397 6.359 -18.699 1.00 . A A . 23 ARG N 1 1 11 5554 1 1 24 ARG NE N -4.644 9.030 -15.746 1.00 . A A . 23 ARG NE 1 1 11 5555 1 1 24 ARG NH1 N -5.506 11.155 -15.248 1.00 . A A . 23 ARG NH1 1 1 11 5556 1 1 24 ARG NH2 N -6.027 9.357 -13.910 1.00 . A A . 23 ARG NH2 1 1 11 5557 1 1 24 ARG O O -1.365 8.748 -20.817 1.00 . A A . 23 ARG O 1 1 11 5558 1 1 25 CYS C C 1.620 10.352 -20.415 1.00 . A A . 24 CYS C 1 1 11 5559 1 1 25 CYS CA C 0.361 10.599 -19.570 1.00 . A A . 24 CYS CA 1 1 11 5560 1 1 25 CYS CB C 0.620 11.636 -18.467 1.00 . A A . 24 CYS CB 1 1 11 5561 1 1 25 CYS H H 0.111 9.133 -18.058 1.00 . A A . 24 CYS H 1 1 11 5562 1 1 25 CYS HA H -0.393 11.027 -20.232 1.00 . A A . 24 CYS HA 1 1 11 5563 1 1 25 CYS HB2 H 1.046 12.535 -18.913 1.00 . A A . 24 CYS HB2 1 1 11 5564 1 1 25 CYS HB3 H -0.326 11.899 -17.993 1.00 . A A . 24 CYS HB3 1 1 11 5565 1 1 25 CYS N N -0.183 9.369 -18.995 1.00 . A A . 24 CYS N 1 1 11 5566 1 1 25 CYS O O 1.963 11.197 -21.240 1.00 . A A . 24 CYS O 1 1 11 5567 1 1 25 CYS SG S 1.760 11.013 -17.202 1.00 . A A . 24 CYS SG 1 1 11 5568 1 1 26 GLY C C 4.801 9.330 -20.133 1.00 . A A . 25 GLY C 1 1 11 5569 1 1 26 GLY CA C 3.550 8.886 -20.902 1.00 . A A . 25 GLY CA 1 1 11 5570 1 1 26 GLY H H 1.987 8.563 -19.513 1.00 . A A . 25 GLY H 1 1 11 5571 1 1 26 GLY HA2 H 3.592 7.808 -21.055 1.00 . A A . 25 GLY HA2 1 1 11 5572 1 1 26 GLY HA3 H 3.559 9.350 -21.888 1.00 . A A . 25 GLY HA3 1 1 11 5573 1 1 26 GLY N N 2.311 9.220 -20.211 1.00 . A A . 25 GLY N 1 1 11 5574 1 1 26 GLY O O 5.891 8.847 -20.444 1.00 . A A . 25 GLY O 1 1 11 5575 1 1 27 ALA C C 6.347 9.829 -17.436 1.00 . A A . 26 ALA C 1 1 11 5576 1 1 27 ALA CA C 5.789 10.836 -18.439 1.00 . A A . 26 ALA CA 1 1 11 5577 1 1 27 ALA CB C 5.371 12.119 -17.712 1.00 . A A . 26 ALA CB 1 1 11 5578 1 1 27 ALA H H 3.735 10.552 -18.899 1.00 . A A . 26 ALA H 1 1 11 5579 1 1 27 ALA HA H 6.561 11.090 -19.167 1.00 . A A . 26 ALA HA 1 1 11 5580 1 1 27 ALA HB1 H 6.244 12.765 -17.611 1.00 . A A . 26 ALA HB1 1 1 11 5581 1 1 27 ALA HB2 H 4.603 12.648 -18.276 1.00 . A A . 26 ALA HB2 1 1 11 5582 1 1 27 ALA HB3 H 4.991 11.884 -16.716 1.00 . A A . 26 ALA HB3 1 1 11 5583 1 1 27 ALA N N 4.664 10.256 -19.168 1.00 . A A . 26 ALA N 1 1 11 5584 1 1 27 ALA O O 5.595 9.033 -16.877 1.00 . A A . 26 ALA O 1 1 11 5585 1 1 28 ASP C C 7.901 9.338 -14.806 1.00 . A A . 27 ASP C 1 1 11 5586 1 1 28 ASP CA C 8.293 8.959 -16.242 1.00 . A A . 27 ASP CA 1 1 11 5587 1 1 28 ASP CB C 9.811 8.937 -16.476 1.00 . A A . 27 ASP CB 1 1 11 5588 1 1 28 ASP CG C 10.437 7.609 -16.056 1.00 . A A . 27 ASP CG 1 1 11 5589 1 1 28 ASP H H 8.233 10.584 -17.611 1.00 . A A . 27 ASP H 1 1 11 5590 1 1 28 ASP HA H 7.914 7.961 -16.440 1.00 . A A . 27 ASP HA 1 1 11 5591 1 1 28 ASP HB2 H 10.008 9.077 -17.541 1.00 . A A . 27 ASP HB2 1 1 11 5592 1 1 28 ASP HB3 H 10.286 9.752 -15.931 1.00 . A A . 27 ASP HB3 1 1 11 5593 1 1 28 ASP N N 7.661 9.865 -17.192 1.00 . A A . 27 ASP N 1 1 11 5594 1 1 28 ASP O O 7.623 10.505 -14.523 1.00 . A A . 27 ASP O 1 1 11 5595 1 1 28 ASP OD1 O 10.489 7.365 -14.831 1.00 . A A . 27 ASP OD1 1 1 11 5596 1 1 28 ASP OD2 O 10.864 6.868 -16.968 1.00 . A A . 27 ASP OD2 1 1 11 5597 1 1 29 LYS C C 8.777 9.537 -11.883 1.00 . A A . 28 LYS C 1 1 11 5598 1 1 29 LYS CA C 7.732 8.571 -12.460 1.00 . A A . 28 LYS CA 1 1 11 5599 1 1 29 LYS CB C 7.788 7.248 -11.678 1.00 . A A . 28 LYS CB 1 1 11 5600 1 1 29 LYS CD C 9.718 5.910 -10.592 1.00 . A A . 28 LYS CD 1 1 11 5601 1 1 29 LYS CE C 8.838 4.890 -9.873 1.00 . A A . 28 LYS CE 1 1 11 5602 1 1 29 LYS CG C 9.084 6.441 -11.882 1.00 . A A . 28 LYS CG 1 1 11 5603 1 1 29 LYS H H 8.173 7.422 -14.191 1.00 . A A . 28 LYS H 1 1 11 5604 1 1 29 LYS HA H 6.745 9.011 -12.305 1.00 . A A . 28 LYS HA 1 1 11 5605 1 1 29 LYS HB2 H 7.653 7.476 -10.618 1.00 . A A . 28 LYS HB2 1 1 11 5606 1 1 29 LYS HB3 H 6.958 6.628 -11.991 1.00 . A A . 28 LYS HB3 1 1 11 5607 1 1 29 LYS HD2 H 10.664 5.438 -10.859 1.00 . A A . 28 LYS HD2 1 1 11 5608 1 1 29 LYS HD3 H 9.924 6.740 -9.916 1.00 . A A . 28 LYS HD3 1 1 11 5609 1 1 29 LYS HE2 H 8.040 5.411 -9.344 1.00 . A A . 28 LYS HE2 1 1 11 5610 1 1 29 LYS HE3 H 8.400 4.216 -10.608 1.00 . A A . 28 LYS HE3 1 1 11 5611 1 1 29 LYS HG2 H 8.871 5.604 -12.549 1.00 . A A . 28 LYS HG2 1 1 11 5612 1 1 29 LYS HG3 H 9.835 7.059 -12.364 1.00 . A A . 28 LYS HG3 1 1 11 5613 1 1 29 LYS HZ1 H 9.251 4.223 -7.983 1.00 . A A . 28 LYS HZ1 1 1 11 5614 1 1 29 LYS HZ2 H 10.585 4.396 -8.941 1.00 . A A . 28 LYS HZ2 1 1 11 5615 1 1 29 LYS HZ3 H 9.569 3.121 -9.174 1.00 . A A . 28 LYS HZ3 1 1 11 5616 1 1 29 LYS N N 7.901 8.350 -13.897 1.00 . A A . 28 LYS N 1 1 11 5617 1 1 29 LYS NZ N 9.621 4.095 -8.913 1.00 . A A . 28 LYS NZ 1 1 11 5618 1 1 29 LYS O O 8.547 10.093 -10.811 1.00 . A A . 28 LYS O 1 1 11 5619 1 1 30 PHE C C 11.106 11.840 -13.056 1.00 . A A . 29 PHE C 1 1 11 5620 1 1 30 PHE CA C 10.999 10.597 -12.162 1.00 . A A . 29 PHE CA 1 1 11 5621 1 1 30 PHE CB C 12.314 9.796 -12.084 1.00 . A A . 29 PHE CB 1 1 11 5622 1 1 30 PHE CD1 C 12.380 9.011 -9.691 1.00 . A A . 29 PHE CD1 1 1 11 5623 1 1 30 PHE CD2 C 13.994 10.694 -10.396 1.00 . A A . 29 PHE CD2 1 1 11 5624 1 1 30 PHE CE1 C 12.923 9.027 -8.396 1.00 . A A . 29 PHE CE1 1 1 11 5625 1 1 30 PHE CE2 C 14.538 10.710 -9.099 1.00 . A A . 29 PHE CE2 1 1 11 5626 1 1 30 PHE CG C 12.923 9.830 -10.697 1.00 . A A . 29 PHE CG 1 1 11 5627 1 1 30 PHE CZ C 14.008 9.871 -8.102 1.00 . A A . 29 PHE CZ 1 1 11 5628 1 1 30 PHE H H 10.057 9.166 -13.412 1.00 . A A . 29 PHE H 1 1 11 5629 1 1 30 PHE HA H 10.781 10.966 -11.160 1.00 . A A . 29 PHE HA 1 1 11 5630 1 1 30 PHE HB2 H 12.136 8.752 -12.348 1.00 . A A . 29 PHE HB2 1 1 11 5631 1 1 30 PHE HB3 H 13.038 10.171 -12.808 1.00 . A A . 29 PHE HB3 1 1 11 5632 1 1 30 PHE HD1 H 11.539 8.372 -9.914 1.00 . A A . 29 PHE HD1 1 1 11 5633 1 1 30 PHE HD2 H 14.398 11.348 -11.156 1.00 . A A . 29 PHE HD2 1 1 11 5634 1 1 30 PHE HE1 H 12.506 8.393 -7.629 1.00 . A A . 29 PHE HE1 1 1 11 5635 1 1 30 PHE HE2 H 15.363 11.367 -8.869 1.00 . A A . 29 PHE HE2 1 1 11 5636 1 1 30 PHE HZ H 14.430 9.880 -7.108 1.00 . A A . 29 PHE HZ 1 1 11 5637 1 1 30 PHE N N 9.918 9.708 -12.567 1.00 . A A . 29 PHE N 1 1 11 5638 1 1 30 PHE O O 12.149 12.493 -13.039 1.00 . A A . 29 PHE O 1 1 11 5639 1 1 31 ASP C C 11.019 13.099 -15.820 1.00 . A A . 30 ASP C 1 1 11 5640 1 1 31 ASP CA C 9.979 13.288 -14.754 1.00 . A A . 30 ASP CA 1 1 11 5641 1 1 31 ASP CB C 10.035 14.663 -14.052 1.00 . A A . 30 ASP CB 1 1 11 5642 1 1 31 ASP CG C 8.685 15.101 -13.490 1.00 . A A . 30 ASP CG 1 1 11 5643 1 1 31 ASP H H 9.201 11.613 -13.731 1.00 . A A . 30 ASP H 1 1 11 5644 1 1 31 ASP HA H 9.014 13.225 -15.258 1.00 . A A . 30 ASP HA 1 1 11 5645 1 1 31 ASP HB2 H 10.771 14.648 -13.248 1.00 . A A . 30 ASP HB2 1 1 11 5646 1 1 31 ASP HB3 H 10.351 15.422 -14.769 1.00 . A A . 30 ASP HB3 1 1 11 5647 1 1 31 ASP N N 10.030 12.193 -13.784 1.00 . A A . 30 ASP N 1 1 11 5648 1 1 31 ASP O O 10.660 12.409 -16.785 1.00 . A A . 30 ASP O 1 1 11 5649 1 1 31 ASP OD1 O 7.813 15.456 -14.308 1.00 . A A . 30 ASP OD1 1 1 11 5650 1 1 31 ASP OD2 O 8.566 15.116 -12.242 1.00 . A A . 30 ASP OD2 1 1 11 5651 1 1 32 NH2 HN1 H 12.430 14.206 -14.854 1.00 . A A . 31 NH2 HN1 1 1 11 5652 1 1 32 NH2 HN2 H 12.922 13.523 -16.407 1.00 . A A . 31 NH2 HN2 1 1 11 5653 1 1 32 NH2 N N 12.215 13.652 -15.683 1.00 . A A . 31 NH2 N 1 1 11 5654 2 2 1 ZN ZN ZN 1.128 9.819 -15.427 1.00 . B A . 32 ZN ZN 1 1 12 5655 1 1 1 ACE C C 1.801 0.631 -0.018 1.00 . A A . 0 ACE C 1 1 12 5656 1 1 1 ACE CH3 C 2.834 1.502 0.645 1.00 . A A . 0 ACE CH3 1 1 12 5657 1 1 1 ACE H1 H 2.842 2.493 0.168 1.00 . A A . 0 ACE H1 1 1 12 5658 1 1 1 ACE H2 H 3.831 1.047 0.552 1.00 . A A . 0 ACE H2 1 1 12 5659 1 1 1 ACE H3 H 2.601 1.626 1.715 1.00 . A A . 0 ACE H3 1 1 12 5660 1 1 1 ACE O O 0.856 0.239 0.646 1.00 . A A . 0 ACE O 1 1 12 5661 1 1 2 LYS C C 1.627 -1.779 -2.451 1.00 . A A . 1 LYS C 1 1 12 5662 1 1 2 LYS CA C 0.997 -0.469 -2.058 1.00 . A A . 1 LYS CA 1 1 12 5663 1 1 2 LYS CB C 0.538 0.345 -3.304 1.00 . A A . 1 LYS CB 1 1 12 5664 1 1 2 LYS CD C -1.517 1.463 -4.380 1.00 . A A . 1 LYS CD 1 1 12 5665 1 1 2 LYS CE C -3.064 1.498 -4.324 1.00 . A A . 1 LYS CE 1 1 12 5666 1 1 2 LYS CG C -0.993 0.257 -3.571 1.00 . A A . 1 LYS CG 1 1 12 5667 1 1 2 LYS H H 2.785 0.657 -1.822 1.00 . A A . 1 LYS H 1 1 12 5668 1 1 2 LYS HA H 0.141 -0.715 -1.415 1.00 . A A . 1 LYS HA 1 1 12 5669 1 1 2 LYS HB2 H 0.787 1.397 -3.102 1.00 . A A . 1 LYS HB2 1 1 12 5670 1 1 2 LYS HB3 H 1.109 0.034 -4.192 1.00 . A A . 1 LYS HB3 1 1 12 5671 1 1 2 LYS HD2 H -1.142 2.396 -3.935 1.00 . A A . 1 LYS HD2 1 1 12 5672 1 1 2 LYS HD3 H -1.165 1.385 -5.420 1.00 . A A . 1 LYS HD3 1 1 12 5673 1 1 2 LYS HE2 H -3.475 0.579 -4.773 1.00 . A A . 1 LYS HE2 1 1 12 5674 1 1 2 LYS HE3 H -3.392 1.553 -3.274 1.00 . A A . 1 LYS HE3 1 1 12 5675 1 1 2 LYS HG2 H -1.277 -0.637 -4.143 1.00 . A A . 1 LYS HG2 1 1 12 5676 1 1 2 LYS HG3 H -1.532 0.245 -2.614 1.00 . A A . 1 LYS HG3 1 1 12 5677 1 1 2 LYS HZ1 H -3.337 2.636 -6.073 1.00 . A A . 1 LYS HZ1 1 1 12 5678 1 1 2 LYS HZ2 H -3.205 3.586 -4.582 1.00 . A A . 1 LYS HZ2 1 1 12 5679 1 1 2 LYS HZ3 H -4.670 2.715 -4.938 1.00 . A A . 1 LYS HZ3 1 1 12 5680 1 1 2 LYS N N 1.977 0.334 -1.325 1.00 . A A . 1 LYS N 1 1 12 5681 1 1 2 LYS NZ N -3.594 2.681 -5.025 1.00 . A A . 1 LYS NZ 1 1 12 5682 1 1 2 LYS O O 2.729 -2.068 -2.015 1.00 . A A . 1 LYS O 1 1 12 5683 1 1 3 PHE C C 2.572 -3.636 -4.778 1.00 . A A . 2 PHE C 1 1 12 5684 1 1 3 PHE CA C 1.493 -3.849 -3.746 1.00 . A A . 2 PHE CA 1 1 12 5685 1 1 3 PHE CB C 0.344 -4.698 -4.356 1.00 . A A . 2 PHE CB 1 1 12 5686 1 1 3 PHE CD1 C -0.433 -5.815 -2.224 1.00 . A A . 2 PHE CD1 1 1 12 5687 1 1 3 PHE CD2 C -2.041 -4.499 -3.449 1.00 . A A . 2 PHE CD2 1 1 12 5688 1 1 3 PHE CE1 C -1.406 -6.125 -1.273 1.00 . A A . 2 PHE CE1 1 1 12 5689 1 1 3 PHE CE2 C -3.023 -4.827 -2.510 1.00 . A A . 2 PHE CE2 1 1 12 5690 1 1 3 PHE CG C -0.743 -5.004 -3.318 1.00 . A A . 2 PHE CG 1 1 12 5691 1 1 3 PHE CZ C -2.706 -5.640 -1.420 1.00 . A A . 2 PHE CZ 1 1 12 5692 1 1 3 PHE H H 0.056 -2.329 -3.646 1.00 . A A . 2 PHE H 1 1 12 5693 1 1 3 PHE HA H 1.936 -4.390 -2.896 1.00 . A A . 2 PHE HA 1 1 12 5694 1 1 3 PHE HB2 H -0.090 -4.165 -5.218 1.00 . A A . 2 PHE HB2 1 1 12 5695 1 1 3 PHE HB3 H 0.739 -5.660 -4.715 1.00 . A A . 2 PHE HB3 1 1 12 5696 1 1 3 PHE HD1 H 0.567 -6.217 -2.106 1.00 . A A . 2 PHE HD1 1 1 12 5697 1 1 3 PHE HD2 H -2.302 -3.853 -4.281 1.00 . A A . 2 PHE HD2 1 1 12 5698 1 1 3 PHE HE1 H -1.150 -6.745 -0.420 1.00 . A A . 2 PHE HE1 1 1 12 5699 1 1 3 PHE HE2 H -4.033 -4.451 -2.626 1.00 . A A . 2 PHE HE2 1 1 12 5700 1 1 3 PHE HZ H -3.467 -5.896 -0.691 1.00 . A A . 2 PHE HZ 1 1 12 5701 1 1 3 PHE N N 0.943 -2.583 -3.288 1.00 . A A . 2 PHE N 1 1 12 5702 1 1 3 PHE O O 2.428 -4.125 -5.886 1.00 . A A . 2 PHE O 1 1 12 5703 1 1 4 GLU C C 4.355 -1.821 -6.472 1.00 . A A . 3 GLU C 1 1 12 5704 1 1 4 GLU CA C 4.774 -2.770 -5.367 1.00 . A A . 3 GLU CA 1 1 12 5705 1 1 4 GLU CB C 5.255 -4.172 -5.852 1.00 . A A . 3 GLU CB 1 1 12 5706 1 1 4 GLU CD C 7.079 -4.810 -7.570 1.00 . A A . 3 GLU CD 1 1 12 5707 1 1 4 GLU CG C 6.772 -4.279 -6.186 1.00 . A A . 3 GLU CG 1 1 12 5708 1 1 4 GLU H H 3.769 -2.560 -3.502 1.00 . A A . 3 GLU H 1 1 12 5709 1 1 4 GLU HA H 5.593 -2.294 -4.804 1.00 . A A . 3 GLU HA 1 1 12 5710 1 1 4 GLU HB2 H 5.064 -4.877 -5.027 1.00 . A A . 3 GLU HB2 1 1 12 5711 1 1 4 GLU HB3 H 4.655 -4.510 -6.708 1.00 . A A . 3 GLU HB3 1 1 12 5712 1 1 4 GLU HG2 H 7.281 -3.318 -6.056 1.00 . A A . 3 GLU HG2 1 1 12 5713 1 1 4 GLU HG3 H 7.242 -4.960 -5.461 1.00 . A A . 3 GLU HG3 1 1 12 5714 1 1 4 GLU N N 3.674 -2.940 -4.423 1.00 . A A . 3 GLU N 1 1 12 5715 1 1 4 GLU O O 4.290 -2.213 -7.627 1.00 . A A . 3 GLU O 1 1 12 5716 1 1 4 GLU OE1 O 6.262 -4.645 -8.520 1.00 . A A . 3 GLU OE1 1 1 12 5717 1 1 4 GLU OE2 O 8.181 -5.401 -7.731 1.00 . A A . 3 GLU OE2 1 1 12 5718 1 1 5 ASP C C 4.067 1.804 -6.776 1.00 . A A . 4 ASP C 1 1 12 5719 1 1 5 ASP CA C 3.654 0.405 -7.178 1.00 . A A . 4 ASP CA 1 1 12 5720 1 1 5 ASP CB C 2.117 0.361 -7.355 1.00 . A A . 4 ASP CB 1 1 12 5721 1 1 5 ASP CG C 1.561 -1.022 -7.546 1.00 . A A . 4 ASP CG 1 1 12 5722 1 1 5 ASP H H 4.104 -0.214 -5.197 1.00 . A A . 4 ASP H 1 1 12 5723 1 1 5 ASP HA H 4.146 0.174 -8.131 1.00 . A A . 4 ASP HA 1 1 12 5724 1 1 5 ASP HB2 H 1.664 0.776 -6.447 1.00 . A A . 4 ASP HB2 1 1 12 5725 1 1 5 ASP HB3 H 1.808 0.976 -8.212 1.00 . A A . 4 ASP HB3 1 1 12 5726 1 1 5 ASP N N 4.071 -0.540 -6.142 1.00 . A A . 4 ASP N 1 1 12 5727 1 1 5 ASP O O 4.534 1.963 -5.659 1.00 . A A . 4 ASP O 1 1 12 5728 1 1 5 ASP OD1 O 1.337 -1.706 -6.511 1.00 . A A . 4 ASP OD1 1 1 12 5729 1 1 5 ASP OD2 O 1.307 -1.416 -8.715 1.00 . A A . 4 ASP OD2 1 1 12 5730 1 1 6 TRP C C 3.277 5.154 -7.928 1.00 . A A . 5 TRP C 1 1 12 5731 1 1 6 TRP CA C 4.255 4.194 -7.300 1.00 . A A . 5 TRP CA 1 1 12 5732 1 1 6 TRP CB C 5.686 4.533 -7.775 1.00 . A A . 5 TRP CB 1 1 12 5733 1 1 6 TRP CD1 C 6.447 3.016 -9.656 1.00 . A A . 5 TRP CD1 1 1 12 5734 1 1 6 TRP CD2 C 5.523 4.934 -10.444 1.00 . A A . 5 TRP CD2 1 1 12 5735 1 1 6 TRP CE2 C 5.972 4.133 -11.476 1.00 . A A . 5 TRP CE2 1 1 12 5736 1 1 6 TRP CE3 C 4.904 6.161 -10.673 1.00 . A A . 5 TRP CE3 1 1 12 5737 1 1 6 TRP CG C 5.888 4.151 -9.217 1.00 . A A . 5 TRP CG 1 1 12 5738 1 1 6 TRP CH2 C 5.304 5.776 -13.047 1.00 . A A . 5 TRP CH2 1 1 12 5739 1 1 6 TRP CZ2 C 5.895 4.533 -12.804 1.00 . A A . 5 TRP CZ2 1 1 12 5740 1 1 6 TRP CZ3 C 4.766 6.540 -12.008 1.00 . A A . 5 TRP CZ3 1 1 12 5741 1 1 6 TRP H H 3.566 2.646 -8.584 1.00 . A A . 5 TRP H 1 1 12 5742 1 1 6 TRP HA H 4.191 4.341 -6.210 1.00 . A A . 5 TRP HA 1 1 12 5743 1 1 6 TRP HB2 H 5.906 5.604 -7.650 1.00 . A A . 5 TRP HB2 1 1 12 5744 1 1 6 TRP HB3 H 6.392 3.961 -7.154 1.00 . A A . 5 TRP HB3 1 1 12 5745 1 1 6 TRP HD1 H 6.796 2.273 -8.956 1.00 . A A . 5 TRP HD1 1 1 12 5746 1 1 6 TRP HE1 H 6.837 2.208 -11.529 1.00 . A A . 5 TRP HE1 1 1 12 5747 1 1 6 TRP HE3 H 4.568 6.772 -9.852 1.00 . A A . 5 TRP HE3 1 1 12 5748 1 1 6 TRP HH2 H 5.281 6.176 -14.047 1.00 . A A . 5 TRP HH2 1 1 12 5749 1 1 6 TRP HZ2 H 6.278 3.935 -13.618 1.00 . A A . 5 TRP HZ2 1 1 12 5750 1 1 6 TRP HZ3 H 4.250 7.443 -12.278 1.00 . A A . 5 TRP HZ3 1 1 12 5751 1 1 6 TRP N N 3.908 2.818 -7.657 1.00 . A A . 5 TRP N 1 1 12 5752 1 1 6 TRP NE1 N 6.475 2.992 -10.962 1.00 . A A . 5 TRP NE1 1 1 12 5753 1 1 6 TRP O O 2.598 4.747 -8.855 1.00 . A A . 5 TRP O 1 1 12 5754 1 1 7 LEU C C 2.862 8.354 -8.862 1.00 . A A . 6 LEU C 1 1 12 5755 1 1 7 LEU CA C 2.205 7.362 -7.936 1.00 . A A . 6 LEU CA 1 1 12 5756 1 1 7 LEU CB C 1.558 8.180 -6.793 1.00 . A A . 6 LEU CB 1 1 12 5757 1 1 7 LEU CD1 C 1.678 7.061 -4.476 1.00 . A A . 6 LEU CD1 1 1 12 5758 1 1 7 LEU CD2 C -0.542 7.883 -5.375 1.00 . A A . 6 LEU CD2 1 1 12 5759 1 1 7 LEU CG C 0.830 7.274 -5.758 1.00 . A A . 6 LEU CG 1 1 12 5760 1 1 7 LEU H H 3.829 6.740 -6.734 1.00 . A A . 6 LEU H 1 1 12 5761 1 1 7 LEU HA H 1.392 6.835 -8.453 1.00 . A A . 6 LEU HA 1 1 12 5762 1 1 7 LEU HB2 H 2.323 8.795 -6.296 1.00 . A A . 6 LEU HB2 1 1 12 5763 1 1 7 LEU HB3 H 0.843 8.866 -7.273 1.00 . A A . 6 LEU HB3 1 1 12 5764 1 1 7 LEU HD11 H 1.948 8.027 -4.024 1.00 . A A . 6 LEU HD11 1 1 12 5765 1 1 7 LEU HD12 H 2.599 6.504 -4.700 1.00 . A A . 6 LEU HD12 1 1 12 5766 1 1 7 LEU HD13 H 1.105 6.482 -3.736 1.00 . A A . 6 LEU HD13 1 1 12 5767 1 1 7 LEU HD21 H -1.163 8.026 -6.273 1.00 . A A . 6 LEU HD21 1 1 12 5768 1 1 7 LEU HD22 H -0.400 8.854 -4.877 1.00 . A A . 6 LEU HD22 1 1 12 5769 1 1 7 LEU HD23 H -1.079 7.205 -4.694 1.00 . A A . 6 LEU HD23 1 1 12 5770 1 1 7 LEU HG H 0.635 6.290 -6.209 1.00 . A A . 6 LEU HG 1 1 12 5771 1 1 7 LEU N N 3.197 6.414 -7.435 1.00 . A A . 6 LEU N 1 1 12 5772 1 1 7 LEU O O 3.909 8.870 -8.504 1.00 . A A . 6 LEU O 1 1 12 5773 1 1 8 CYS C C 2.952 10.959 -10.445 1.00 . A A . 7 CYS C 1 1 12 5774 1 1 8 CYS CA C 2.957 9.548 -10.970 1.00 . A A . 7 CYS CA 1 1 12 5775 1 1 8 CYS CB C 2.267 9.484 -12.358 1.00 . A A . 7 CYS CB 1 1 12 5776 1 1 8 CYS H H 1.431 8.197 -10.336 1.00 . A A . 7 CYS H 1 1 12 5777 1 1 8 CYS HA H 4.014 9.262 -11.046 1.00 . A A . 7 CYS HA 1 1 12 5778 1 1 8 CYS HB2 H 2.216 8.451 -12.732 1.00 . A A . 7 CYS HB2 1 1 12 5779 1 1 8 CYS HB3 H 1.246 9.852 -12.244 1.00 . A A . 7 CYS HB3 1 1 12 5780 1 1 8 CYS N N 2.292 8.628 -10.054 1.00 . A A . 7 CYS N 1 1 12 5781 1 1 8 CYS O O 2.047 11.317 -9.712 1.00 . A A . 7 CYS O 1 1 12 5782 1 1 8 CYS SG S 3.015 10.546 -13.634 1.00 . A A . 7 CYS SG 1 1 12 5783 1 1 9 ASN C C 3.376 14.091 -11.413 1.00 . A A . 8 ASN C 1 1 12 5784 1 1 9 ASN CA C 4.018 13.167 -10.393 1.00 . A A . 8 ASN CA 1 1 12 5785 1 1 9 ASN CB C 5.499 13.545 -10.094 1.00 . A A . 8 ASN CB 1 1 12 5786 1 1 9 ASN CG C 5.659 13.992 -8.663 1.00 . A A . 8 ASN CG 1 1 12 5787 1 1 9 ASN H H 4.636 11.463 -11.506 1.00 . A A . 8 ASN H 1 1 12 5788 1 1 9 ASN HA H 3.448 13.288 -9.459 1.00 . A A . 8 ASN HA 1 1 12 5789 1 1 9 ASN HB2 H 6.168 12.689 -10.266 1.00 . A A . 8 ASN HB2 1 1 12 5790 1 1 9 ASN HB3 H 5.856 14.354 -10.745 1.00 . A A . 8 ASN HB3 1 1 12 5791 1 1 9 ASN HD21 H 6.123 12.117 -7.954 1.00 . A A . 8 ASN HD21 1 1 12 5792 1 1 9 ASN HD22 H 6.100 13.384 -6.779 1.00 . A A . 8 ASN HD22 1 1 12 5793 1 1 9 ASN N N 3.955 11.778 -10.841 1.00 . A A . 8 ASN N 1 1 12 5794 1 1 9 ASN ND2 N 5.988 13.082 -7.725 1.00 . A A . 8 ASN ND2 1 1 12 5795 1 1 9 ASN O O 3.747 15.252 -11.491 1.00 . A A . 8 ASN O 1 1 12 5796 1 1 9 ASN OD1 O 5.487 15.167 -8.389 1.00 . A A . 8 ASN OD1 1 1 12 5797 1 1 10 LYS C C 0.264 14.057 -13.279 1.00 . A A . 9 LYS C 1 1 12 5798 1 1 10 LYS CA C 1.741 14.372 -13.241 1.00 . A A . 9 LYS CA 1 1 12 5799 1 1 10 LYS CB C 2.335 14.095 -14.647 1.00 . A A . 9 LYS CB 1 1 12 5800 1 1 10 LYS CD C 4.428 15.641 -14.485 1.00 . A A . 9 LYS CD 1 1 12 5801 1 1 10 LYS CE C 5.848 15.675 -13.850 1.00 . A A . 9 LYS CE 1 1 12 5802 1 1 10 LYS CG C 3.875 14.202 -14.704 1.00 . A A . 9 LYS CG 1 1 12 5803 1 1 10 LYS H H 2.148 12.635 -12.110 1.00 . A A . 9 LYS H 1 1 12 5804 1 1 10 LYS HA H 1.799 15.442 -12.998 1.00 . A A . 9 LYS HA 1 1 12 5805 1 1 10 LYS HB2 H 2.083 13.066 -14.945 1.00 . A A . 9 LYS HB2 1 1 12 5806 1 1 10 LYS HB3 H 1.894 14.782 -15.385 1.00 . A A . 9 LYS HB3 1 1 12 5807 1 1 10 LYS HD2 H 4.441 16.177 -15.447 1.00 . A A . 9 LYS HD2 1 1 12 5808 1 1 10 LYS HD3 H 3.754 16.191 -13.824 1.00 . A A . 9 LYS HD3 1 1 12 5809 1 1 10 LYS HE2 H 5.961 14.840 -13.143 1.00 . A A . 9 LYS HE2 1 1 12 5810 1 1 10 LYS HE3 H 6.609 15.578 -14.639 1.00 . A A . 9 LYS HE3 1 1 12 5811 1 1 10 LYS HG2 H 4.284 13.474 -13.984 1.00 . A A . 9 LYS HG2 1 1 12 5812 1 1 10 LYS HG3 H 4.124 13.885 -15.726 1.00 . A A . 9 LYS HG3 1 1 12 5813 1 1 10 LYS HZ1 H 5.309 17.204 -12.449 1.00 . A A . 9 LYS HZ1 1 1 12 5814 1 1 10 LYS HZ2 H 6.382 17.730 -13.749 1.00 . A A . 9 LYS HZ2 1 1 12 5815 1 1 10 LYS HZ3 H 6.968 16.755 -12.424 1.00 . A A . 9 LYS HZ3 1 1 12 5816 1 1 10 LYS N N 2.405 13.584 -12.204 1.00 . A A . 9 LYS N 1 1 12 5817 1 1 10 LYS NZ N 6.130 16.912 -13.089 1.00 . A A . 9 LYS NZ 1 1 12 5818 1 1 10 LYS O O -0.523 14.987 -13.223 1.00 . A A . 9 LYS O 1 1 12 5819 1 1 11 CYS C C -1.850 11.702 -11.956 1.00 . A A . 10 CYS C 1 1 12 5820 1 1 11 CYS CA C -1.548 12.415 -13.260 1.00 . A A . 10 CYS CA 1 1 12 5821 1 1 11 CYS CB C -1.908 11.540 -14.482 1.00 . A A . 10 CYS CB 1 1 12 5822 1 1 11 CYS H H 0.511 12.026 -13.491 1.00 . A A . 10 CYS H 1 1 12 5823 1 1 11 CYS HA H -2.200 13.299 -13.317 1.00 . A A . 10 CYS HA 1 1 12 5824 1 1 11 CYS HB2 H -2.975 11.277 -14.494 1.00 . A A . 10 CYS HB2 1 1 12 5825 1 1 11 CYS HB3 H -1.648 12.063 -15.414 1.00 . A A . 10 CYS HB3 1 1 12 5826 1 1 11 CYS N N -0.137 12.770 -13.368 1.00 . A A . 10 CYS N 1 1 12 5827 1 1 11 CYS O O -2.999 11.346 -11.752 1.00 . A A . 10 CYS O 1 1 12 5828 1 1 11 CYS SG S -0.931 10.027 -14.388 1.00 . A A . 10 CYS SG 1 1 12 5829 1 1 12 CYS C C -1.659 9.400 -9.932 1.00 . A A . 11 CYS C 1 1 12 5830 1 1 12 CYS CA C -1.195 10.830 -9.768 1.00 . A A . 11 CYS CA 1 1 12 5831 1 1 12 CYS CB C -2.208 11.710 -8.988 1.00 . A A . 11 CYS CB 1 1 12 5832 1 1 12 CYS H H 0.070 11.764 -11.163 1.00 . A A . 11 CYS H 1 1 12 5833 1 1 12 CYS HA H -0.280 10.757 -9.163 1.00 . A A . 11 CYS HA 1 1 12 5834 1 1 12 CYS HB2 H -2.268 12.708 -9.449 1.00 . A A . 11 CYS HB2 1 1 12 5835 1 1 12 CYS HB3 H -3.211 11.260 -9.008 1.00 . A A . 11 CYS HB3 1 1 12 5836 1 1 12 CYS HG H -1.157 12.790 -7.381 1.00 . A A . 11 CYS HG 1 1 12 5837 1 1 12 CYS N N -0.877 11.477 -11.039 1.00 . A A . 11 CYS N 1 1 12 5838 1 1 12 CYS O O -2.265 8.863 -9.018 1.00 . A A . 11 CYS O 1 1 12 5839 1 1 12 CYS SG S -1.694 11.945 -7.253 1.00 . A A . 11 CYS SG 1 1 12 5840 1 1 13 LEU C C -0.914 6.395 -10.778 1.00 . A A . 12 LEU C 1 1 12 5841 1 1 13 LEU CA C -1.879 7.412 -11.322 1.00 . A A . 12 LEU CA 1 1 12 5842 1 1 13 LEU CB C -2.105 7.224 -12.838 1.00 . A A . 12 LEU CB 1 1 12 5843 1 1 13 LEU CD1 C -2.102 4.647 -13.240 1.00 . A A . 12 LEU CD1 1 1 12 5844 1 1 13 LEU CD2 C -4.299 5.854 -12.574 1.00 . A A . 12 LEU CD2 1 1 12 5845 1 1 13 LEU CG C -2.916 5.969 -13.264 1.00 . A A . 12 LEU CG 1 1 12 5846 1 1 13 LEU H H -0.858 9.186 -11.809 1.00 . A A . 12 LEU H 1 1 12 5847 1 1 13 LEU HA H -2.862 7.340 -10.837 1.00 . A A . 12 LEU HA 1 1 12 5848 1 1 13 LEU HB2 H -2.692 8.111 -13.103 1.00 . A A . 12 LEU HB2 1 1 12 5849 1 1 13 LEU HB3 H -1.148 7.259 -13.384 1.00 . A A . 12 LEU HB3 1 1 12 5850 1 1 13 LEU HD11 H -1.067 4.822 -12.923 1.00 . A A . 12 LEU HD11 1 1 12 5851 1 1 13 LEU HD12 H -2.072 4.185 -14.239 1.00 . A A . 12 LEU HD12 1 1 12 5852 1 1 13 LEU HD13 H -2.565 3.932 -12.548 1.00 . A A . 12 LEU HD13 1 1 12 5853 1 1 13 LEU HD21 H -4.963 5.228 -13.187 1.00 . A A . 12 LEU HD21 1 1 12 5854 1 1 13 LEU HD22 H -4.752 6.852 -12.477 1.00 . A A . 12 LEU HD22 1 1 12 5855 1 1 13 LEU HD23 H -4.235 5.403 -11.576 1.00 . A A . 12 LEU HD23 1 1 12 5856 1 1 13 LEU HG H -3.175 6.138 -14.312 1.00 . A A . 12 LEU HG 1 1 12 5857 1 1 13 LEU N N -1.383 8.758 -11.085 1.00 . A A . 12 LEU N 1 1 12 5858 1 1 13 LEU O O 0.289 6.589 -10.881 1.00 . A A . 12 LEU O 1 1 12 5859 1 1 14 ASN C C -0.033 3.392 -10.603 1.00 . A A . 13 ASN C 1 1 12 5860 1 1 14 ASN CA C -0.625 4.303 -9.558 1.00 . A A . 13 ASN CA 1 1 12 5861 1 1 14 ASN CB C -1.427 3.440 -8.547 1.00 . A A . 13 ASN CB 1 1 12 5862 1 1 14 ASN CG C -0.688 3.459 -7.239 1.00 . A A . 13 ASN CG 1 1 12 5863 1 1 14 ASN H H -2.445 5.185 -10.167 1.00 . A A . 13 ASN H 1 1 12 5864 1 1 14 ASN HA H 0.152 4.841 -9.003 1.00 . A A . 13 ASN HA 1 1 12 5865 1 1 14 ASN HB2 H -2.448 3.815 -8.385 1.00 . A A . 13 ASN HB2 1 1 12 5866 1 1 14 ASN HB3 H -1.519 2.398 -8.892 1.00 . A A . 13 ASN HB3 1 1 12 5867 1 1 14 ASN HD21 H -1.897 4.878 -6.363 1.00 . A A . 13 ASN HD21 1 1 12 5868 1 1 14 ASN HD22 H -0.603 4.268 -5.391 1.00 . A A . 13 ASN HD22 1 1 12 5869 1 1 14 ASN N N -1.460 5.312 -10.188 1.00 . A A . 13 ASN N 1 1 12 5870 1 1 14 ASN ND2 N -1.118 4.262 -6.247 1.00 . A A . 13 ASN ND2 1 1 12 5871 1 1 14 ASN O O -0.809 2.767 -11.306 1.00 . A A . 13 ASN O 1 1 12 5872 1 1 14 ASN OD1 O 0.299 2.758 -7.112 1.00 . A A . 13 ASN OD1 1 1 12 5873 1 1 15 ASN C C 2.760 1.340 -11.132 1.00 . A A . 14 ASN C 1 1 12 5874 1 1 15 ASN CA C 1.900 2.417 -11.725 1.00 . A A . 14 ASN CA 1 1 12 5875 1 1 15 ASN CB C 2.816 3.221 -12.665 1.00 . A A . 14 ASN CB 1 1 12 5876 1 1 15 ASN CG C 1.898 3.961 -13.585 1.00 . A A . 14 ASN CG 1 1 12 5877 1 1 15 ASN H H 1.929 3.796 -10.121 1.00 . A A . 14 ASN H 1 1 12 5878 1 1 15 ASN HA H 1.113 1.934 -12.318 1.00 . A A . 14 ASN HA 1 1 12 5879 1 1 15 ASN HB2 H 3.420 3.898 -12.056 1.00 . A A . 14 ASN HB2 1 1 12 5880 1 1 15 ASN HB3 H 3.497 2.572 -13.231 1.00 . A A . 14 ASN HB3 1 1 12 5881 1 1 15 ASN HD21 H 2.008 5.722 -12.513 1.00 . A A . 14 ASN HD21 1 1 12 5882 1 1 15 ASN HD22 H 0.902 5.680 -13.827 1.00 . A A . 14 ASN HD22 1 1 12 5883 1 1 15 ASN N N 1.309 3.286 -10.717 1.00 . A A . 14 ASN N 1 1 12 5884 1 1 15 ASN ND2 N 1.594 5.230 -13.280 1.00 . A A . 14 ASN ND2 1 1 12 5885 1 1 15 ASN O O 3.351 1.557 -10.088 1.00 . A A . 14 ASN O 1 1 12 5886 1 1 15 ASN OD1 O 1.438 3.380 -14.559 1.00 . A A . 14 ASN OD1 1 1 12 5887 1 1 16 PHE C C 4.980 -0.543 -10.963 1.00 . A A . 15 PHE C 1 1 12 5888 1 1 16 PHE CA C 3.573 -0.950 -11.325 1.00 . A A . 15 PHE CA 1 1 12 5889 1 1 16 PHE CB C 3.625 -2.138 -12.330 1.00 . A A . 15 PHE CB 1 1 12 5890 1 1 16 PHE CD1 C 1.574 -3.588 -11.968 1.00 . A A . 15 PHE CD1 1 1 12 5891 1 1 16 PHE CD2 C 3.676 -4.316 -11.024 1.00 . A A . 15 PHE CD2 1 1 12 5892 1 1 16 PHE CE1 C 0.958 -4.746 -11.492 1.00 . A A . 15 PHE CE1 1 1 12 5893 1 1 16 PHE CE2 C 3.059 -5.470 -10.541 1.00 . A A . 15 PHE CE2 1 1 12 5894 1 1 16 PHE CG C 2.941 -3.380 -11.756 1.00 . A A . 15 PHE CG 1 1 12 5895 1 1 16 PHE CZ C 1.701 -5.690 -10.781 1.00 . A A . 15 PHE CZ 1 1 12 5896 1 1 16 PHE H H 2.310 0.073 -12.676 1.00 . A A . 15 PHE H 1 1 12 5897 1 1 16 PHE HA H 3.049 -1.283 -10.422 1.00 . A A . 15 PHE HA 1 1 12 5898 1 1 16 PHE HB2 H 3.108 -1.920 -13.273 1.00 . A A . 15 PHE HB2 1 1 12 5899 1 1 16 PHE HB3 H 4.664 -2.378 -12.597 1.00 . A A . 15 PHE HB3 1 1 12 5900 1 1 16 PHE HD1 H 0.981 -2.852 -12.501 1.00 . A A . 15 PHE HD1 1 1 12 5901 1 1 16 PHE HD2 H 4.729 -4.157 -10.823 1.00 . A A . 15 PHE HD2 1 1 12 5902 1 1 16 PHE HE1 H -0.099 -4.912 -11.672 1.00 . A A . 15 PHE HE1 1 1 12 5903 1 1 16 PHE HE2 H 3.638 -6.195 -9.979 1.00 . A A . 15 PHE HE2 1 1 12 5904 1 1 16 PHE HZ H 1.224 -6.593 -10.414 1.00 . A A . 15 PHE HZ 1 1 12 5905 1 1 16 PHE N N 2.824 0.187 -11.833 1.00 . A A . 15 PHE N 1 1 12 5906 1 1 16 PHE O O 5.551 0.327 -11.605 1.00 . A A . 15 PHE O 1 1 12 5907 1 1 17 ARG C C 7.929 -1.248 -10.691 1.00 . A A . 16 ARG C 1 1 12 5908 1 1 17 ARG CA C 6.960 -0.878 -9.599 1.00 . A A . 16 ARG CA 1 1 12 5909 1 1 17 ARG CB C 7.413 -1.482 -8.245 1.00 . A A . 16 ARG CB 1 1 12 5910 1 1 17 ARG CD C 8.522 0.587 -7.245 1.00 . A A . 16 ARG CD 1 1 12 5911 1 1 17 ARG CG C 7.378 -0.449 -7.091 1.00 . A A . 16 ARG CG 1 1 12 5912 1 1 17 ARG CZ C 10.737 1.132 -6.385 1.00 . A A . 16 ARG CZ 1 1 12 5913 1 1 17 ARG H H 5.069 -1.890 -9.428 1.00 . A A . 16 ARG H 1 1 12 5914 1 1 17 ARG HA H 7.027 0.206 -9.559 1.00 . A A . 16 ARG HA 1 1 12 5915 1 1 17 ARG HB2 H 6.722 -2.284 -8.006 1.00 . A A . 16 ARG HB2 1 1 12 5916 1 1 17 ARG HB3 H 8.418 -1.925 -8.320 1.00 . A A . 16 ARG HB3 1 1 12 5917 1 1 17 ARG HD2 H 8.922 0.465 -8.260 1.00 . A A . 16 ARG HD2 1 1 12 5918 1 1 17 ARG HD3 H 8.107 1.599 -7.119 1.00 . A A . 16 ARG HD3 1 1 12 5919 1 1 17 ARG HE H 9.472 -0.167 -5.480 1.00 . A A . 16 ARG HE 1 1 12 5920 1 1 17 ARG HG2 H 6.412 0.073 -7.119 1.00 . A A . 16 ARG HG2 1 1 12 5921 1 1 17 ARG HG3 H 7.440 -0.960 -6.121 1.00 . A A . 16 ARG HG3 1 1 12 5922 1 1 17 ARG HH11 H 10.345 2.103 -8.142 1.00 . A A . 16 ARG HH11 1 1 12 5923 1 1 17 ARG HH12 H 11.903 2.447 -7.420 1.00 . A A . 16 ARG HH12 1 1 12 5924 1 1 17 ARG HH21 H 11.489 0.349 -4.656 1.00 . A A . 16 ARG HH21 1 1 12 5925 1 1 17 ARG HH22 H 12.543 1.480 -5.500 1.00 . A A . 16 ARG HH22 1 1 12 5926 1 1 17 ARG N N 5.574 -1.188 -9.941 1.00 . A A . 16 ARG N 1 1 12 5927 1 1 17 ARG NE N 9.611 0.468 -6.280 1.00 . A A . 16 ARG NE 1 1 12 5928 1 1 17 ARG NH1 N 11.004 1.949 -7.375 1.00 . A A . 16 ARG NH1 1 1 12 5929 1 1 17 ARG NH2 N 11.645 0.978 -5.457 1.00 . A A . 16 ARG NH2 1 1 12 5930 1 1 17 ARG O O 8.971 -0.625 -10.814 1.00 . A A . 16 ARG O 1 1 12 5931 1 1 18 LYS C C 8.191 -1.622 -13.804 1.00 . A A . 17 LYS C 1 1 12 5932 1 1 18 LYS CA C 8.384 -2.595 -12.669 1.00 . A A . 17 LYS CA 1 1 12 5933 1 1 18 LYS CB C 7.972 -4.022 -13.129 1.00 . A A . 17 LYS CB 1 1 12 5934 1 1 18 LYS CD C 10.032 -5.514 -12.794 1.00 . A A . 17 LYS CD 1 1 12 5935 1 1 18 LYS CE C 11.177 -5.491 -11.753 1.00 . A A . 17 LYS CE 1 1 12 5936 1 1 18 LYS CG C 8.665 -5.058 -12.206 1.00 . A A . 17 LYS CG 1 1 12 5937 1 1 18 LYS H H 6.726 -2.747 -11.327 1.00 . A A . 17 LYS H 1 1 12 5938 1 1 18 LYS HA H 9.456 -2.583 -12.416 1.00 . A A . 17 LYS HA 1 1 12 5939 1 1 18 LYS HB2 H 6.879 -4.143 -13.076 1.00 . A A . 17 LYS HB2 1 1 12 5940 1 1 18 LYS HB3 H 8.240 -4.198 -14.180 1.00 . A A . 17 LYS HB3 1 1 12 5941 1 1 18 LYS HD2 H 9.903 -6.537 -13.180 1.00 . A A . 17 LYS HD2 1 1 12 5942 1 1 18 LYS HD3 H 10.360 -4.879 -13.631 1.00 . A A . 17 LYS HD3 1 1 12 5943 1 1 18 LYS HE2 H 11.545 -4.455 -11.659 1.00 . A A . 17 LYS HE2 1 1 12 5944 1 1 18 LYS HE3 H 10.824 -5.830 -10.766 1.00 . A A . 17 LYS HE3 1 1 12 5945 1 1 18 LYS HG2 H 8.781 -4.624 -11.199 1.00 . A A . 17 LYS HG2 1 1 12 5946 1 1 18 LYS HG3 H 8.014 -5.941 -12.104 1.00 . A A . 17 LYS HG3 1 1 12 5947 1 1 18 LYS HZ1 H 13.147 -6.233 -11.561 1.00 . A A . 17 LYS HZ1 1 1 12 5948 1 1 18 LYS HZ2 H 12.563 -6.199 -13.212 1.00 . A A . 17 LYS HZ2 1 1 12 5949 1 1 18 LYS HZ3 H 11.980 -7.412 -12.091 1.00 . A A . 17 LYS HZ3 1 1 12 5950 1 1 18 LYS N N 7.575 -2.255 -11.505 1.00 . A A . 17 LYS N 1 1 12 5951 1 1 18 LYS NZ N 12.277 -6.378 -12.185 1.00 . A A . 17 LYS NZ 1 1 12 5952 1 1 18 LYS O O 8.899 -1.756 -14.790 1.00 . A A . 17 LYS O 1 1 12 5953 1 1 19 ARG C C 8.138 1.214 -14.955 1.00 . A A . 18 ARG C 1 1 12 5954 1 1 19 ARG CA C 7.023 0.197 -14.880 1.00 . A A . 18 ARG CA 1 1 12 5955 1 1 19 ARG CB C 5.648 0.931 -14.854 1.00 . A A . 18 ARG CB 1 1 12 5956 1 1 19 ARG CD C 3.595 -0.194 -15.902 1.00 . A A . 18 ARG CD 1 1 12 5957 1 1 19 ARG CG C 4.798 0.757 -16.144 1.00 . A A . 18 ARG CG 1 1 12 5958 1 1 19 ARG CZ C 1.274 0.004 -15.126 1.00 . A A . 18 ARG CZ 1 1 12 5959 1 1 19 ARG H H 6.746 -0.460 -12.887 1.00 . A A . 18 ARG H 1 1 12 5960 1 1 19 ARG HA H 7.058 -0.475 -15.749 1.00 . A A . 18 ARG HA 1 1 12 5961 1 1 19 ARG HB2 H 5.036 0.614 -13.998 1.00 . A A . 18 ARG HB2 1 1 12 5962 1 1 19 ARG HB3 H 5.840 2.001 -14.724 1.00 . A A . 18 ARG HB3 1 1 12 5963 1 1 19 ARG HD2 H 3.276 -0.573 -16.883 1.00 . A A . 18 ARG HD2 1 1 12 5964 1 1 19 ARG HD3 H 3.934 -1.046 -15.296 1.00 . A A . 18 ARG HD3 1 1 12 5965 1 1 19 ARG HE H 2.614 1.507 -15.049 1.00 . A A . 18 ARG HE 1 1 12 5966 1 1 19 ARG HG2 H 4.405 1.733 -16.462 1.00 . A A . 18 ARG HG2 1 1 12 5967 1 1 19 ARG HG3 H 5.404 0.389 -16.985 1.00 . A A . 18 ARG HG3 1 1 12 5968 1 1 19 ARG HH11 H 1.735 -1.904 -15.685 1.00 . A A . 18 ARG HH11 1 1 12 5969 1 1 19 ARG HH12 H 0.064 -1.632 -15.213 1.00 . A A . 18 ARG HH12 1 1 12 5970 1 1 19 ARG HH21 H 0.456 1.793 -14.559 1.00 . A A . 18 ARG HH21 1 1 12 5971 1 1 19 ARG HH22 H -0.636 0.410 -14.525 1.00 . A A . 18 ARG HH22 1 1 12 5972 1 1 19 ARG N N 7.259 -0.648 -13.721 1.00 . A A . 18 ARG N 1 1 12 5973 1 1 19 ARG NE N 2.467 0.521 -15.301 1.00 . A A . 18 ARG NE 1 1 12 5974 1 1 19 ARG NH1 N 1.011 -1.255 -15.358 1.00 . A A . 18 ARG NH1 1 1 12 5975 1 1 19 ARG NH2 N 0.309 0.780 -14.702 1.00 . A A . 18 ARG NH2 1 1 12 5976 1 1 19 ARG O O 8.478 1.793 -13.935 1.00 . A A . 18 ARG O 1 1 12 5977 1 1 20 LEU C C 9.086 3.829 -16.386 1.00 . A A . 19 LEU C 1 1 12 5978 1 1 20 LEU CA C 9.731 2.474 -16.295 1.00 . A A . 19 LEU CA 1 1 12 5979 1 1 20 LEU CB C 10.538 2.243 -17.596 1.00 . A A . 19 LEU CB 1 1 12 5980 1 1 20 LEU CD1 C 11.904 0.642 -19.001 1.00 . A A . 19 LEU CD1 1 1 12 5981 1 1 20 LEU CD2 C 12.429 0.907 -16.485 1.00 . A A . 19 LEU CD2 1 1 12 5982 1 1 20 LEU CG C 11.329 0.903 -17.582 1.00 . A A . 19 LEU CG 1 1 12 5983 1 1 20 LEU H H 8.399 0.969 -16.977 1.00 . A A . 19 LEU H 1 1 12 5984 1 1 20 LEU HA H 10.406 2.488 -15.427 1.00 . A A . 19 LEU HA 1 1 12 5985 1 1 20 LEU HB2 H 9.841 2.256 -18.449 1.00 . A A . 19 LEU HB2 1 1 12 5986 1 1 20 LEU HB3 H 11.241 3.081 -17.727 1.00 . A A . 19 LEU HB3 1 1 12 5987 1 1 20 LEU HD11 H 11.131 0.156 -19.617 1.00 . A A . 19 LEU HD11 1 1 12 5988 1 1 20 LEU HD12 H 12.780 -0.021 -18.973 1.00 . A A . 19 LEU HD12 1 1 12 5989 1 1 20 LEU HD13 H 12.196 1.583 -19.490 1.00 . A A . 19 LEU HD13 1 1 12 5990 1 1 20 LEU HD21 H 13.169 0.113 -16.660 1.00 . A A . 19 LEU HD21 1 1 12 5991 1 1 20 LEU HD22 H 11.976 0.716 -15.501 1.00 . A A . 19 LEU HD22 1 1 12 5992 1 1 20 LEU HD23 H 12.952 1.874 -16.455 1.00 . A A . 19 LEU HD23 1 1 12 5993 1 1 20 LEU HG H 10.656 0.061 -17.352 1.00 . A A . 19 LEU HG 1 1 12 5994 1 1 20 LEU N N 8.706 1.448 -16.156 1.00 . A A . 19 LEU N 1 1 12 5995 1 1 20 LEU O O 9.743 4.802 -16.058 1.00 . A A . 19 LEU O 1 1 12 5996 1 1 21 LYS C C 5.733 5.121 -16.742 1.00 . A A . 20 LYS C 1 1 12 5997 1 1 21 LYS CA C 7.211 5.238 -16.945 1.00 . A A . 20 LYS CA 1 1 12 5998 1 1 21 LYS CB C 7.516 5.862 -18.329 1.00 . A A . 20 LYS CB 1 1 12 5999 1 1 21 LYS CD C 7.305 5.669 -20.858 1.00 . A A . 20 LYS CD 1 1 12 6000 1 1 21 LYS CE C 6.174 5.594 -21.915 1.00 . A A . 20 LYS CE 1 1 12 6001 1 1 21 LYS CG C 6.880 5.061 -19.491 1.00 . A A . 20 LYS CG 1 1 12 6002 1 1 21 LYS H H 7.251 3.145 -17.086 1.00 . A A . 20 LYS H 1 1 12 6003 1 1 21 LYS HA H 7.572 5.867 -16.120 1.00 . A A . 20 LYS HA 1 1 12 6004 1 1 21 LYS HB2 H 7.079 6.869 -18.387 1.00 . A A . 20 LYS HB2 1 1 12 6005 1 1 21 LYS HB3 H 8.606 5.935 -18.460 1.00 . A A . 20 LYS HB3 1 1 12 6006 1 1 21 LYS HD2 H 7.561 6.732 -20.732 1.00 . A A . 20 LYS HD2 1 1 12 6007 1 1 21 LYS HD3 H 8.205 5.155 -21.230 1.00 . A A . 20 LYS HD3 1 1 12 6008 1 1 21 LYS HE2 H 5.230 5.930 -21.465 1.00 . A A . 20 LYS HE2 1 1 12 6009 1 1 21 LYS HE3 H 6.406 6.294 -22.736 1.00 . A A . 20 LYS HE3 1 1 12 6010 1 1 21 LYS HG2 H 7.187 4.005 -19.444 1.00 . A A . 20 LYS HG2 1 1 12 6011 1 1 21 LYS HG3 H 5.787 5.109 -19.366 1.00 . A A . 20 LYS HG3 1 1 12 6012 1 1 21 LYS HZ1 H 4.962 4.065 -22.736 1.00 . A A . 20 LYS HZ1 1 1 12 6013 1 1 21 LYS HZ2 H 6.286 3.462 -21.779 1.00 . A A . 20 LYS HZ2 1 1 12 6014 1 1 21 LYS HZ3 H 6.587 4.119 -23.369 1.00 . A A . 20 LYS HZ3 1 1 12 6015 1 1 21 LYS N N 7.814 3.926 -16.825 1.00 . A A . 20 LYS N 1 1 12 6016 1 1 21 LYS NZ N 5.996 4.236 -22.472 1.00 . A A . 20 LYS NZ 1 1 12 6017 1 1 21 LYS O O 5.207 4.021 -16.767 1.00 . A A . 20 LYS O 1 1 12 6018 1 1 22 CYS C C 2.906 5.567 -17.397 1.00 . A A . 21 CYS C 1 1 12 6019 1 1 22 CYS CA C 3.645 6.208 -16.249 1.00 . A A . 21 CYS CA 1 1 12 6020 1 1 22 CYS CB C 3.171 7.646 -15.973 1.00 . A A . 21 CYS CB 1 1 12 6021 1 1 22 CYS H H 5.519 7.156 -16.530 1.00 . A A . 21 CYS H 1 1 12 6022 1 1 22 CYS HA H 3.483 5.624 -15.334 1.00 . A A . 21 CYS HA 1 1 12 6023 1 1 22 CYS HB2 H 3.746 8.104 -15.153 1.00 . A A . 21 CYS HB2 1 1 12 6024 1 1 22 CYS HB3 H 3.221 8.281 -16.869 1.00 . A A . 21 CYS HB3 1 1 12 6025 1 1 22 CYS N N 5.062 6.263 -16.530 1.00 . A A . 21 CYS N 1 1 12 6026 1 1 22 CYS O O 3.054 6.018 -18.519 1.00 . A A . 21 CYS O 1 1 12 6027 1 1 22 CYS SG S 1.472 7.501 -15.429 1.00 . A A . 21 CYS SG 1 1 12 6028 1 1 23 PHE C C 0.131 4.662 -18.622 1.00 . A A . 22 PHE C 1 1 12 6029 1 1 23 PHE CA C 1.362 3.874 -18.230 1.00 . A A . 22 PHE CA 1 1 12 6030 1 1 23 PHE CB C 0.940 2.460 -17.763 1.00 . A A . 22 PHE CB 1 1 12 6031 1 1 23 PHE CD1 C 2.176 0.794 -19.207 1.00 . A A . 22 PHE CD1 1 1 12 6032 1 1 23 PHE CD2 C -0.175 1.162 -19.642 1.00 . A A . 22 PHE CD2 1 1 12 6033 1 1 23 PHE CE1 C 2.210 -0.192 -20.194 1.00 . A A . 22 PHE CE1 1 1 12 6034 1 1 23 PHE CE2 C -0.128 0.214 -20.665 1.00 . A A . 22 PHE CE2 1 1 12 6035 1 1 23 PHE CG C 0.977 1.446 -18.906 1.00 . A A . 22 PHE CG 1 1 12 6036 1 1 23 PHE CZ C 1.060 -0.470 -20.934 1.00 . A A . 22 PHE CZ 1 1 12 6037 1 1 23 PHE H H 1.935 4.202 -16.206 1.00 . A A . 22 PHE H 1 1 12 6038 1 1 23 PHE HA H 2.027 3.768 -19.101 1.00 . A A . 22 PHE HA 1 1 12 6039 1 1 23 PHE HB2 H 1.684 2.087 -17.058 1.00 . A A . 22 PHE HB2 1 1 12 6040 1 1 23 PHE HB3 H -0.034 2.477 -17.249 1.00 . A A . 22 PHE HB3 1 1 12 6041 1 1 23 PHE HD1 H 3.091 1.049 -18.683 1.00 . A A . 22 PHE HD1 1 1 12 6042 1 1 23 PHE HD2 H -1.105 1.676 -19.422 1.00 . A A . 22 PHE HD2 1 1 12 6043 1 1 23 PHE HE1 H 3.129 -0.737 -20.384 1.00 . A A . 22 PHE HE1 1 1 12 6044 1 1 23 PHE HE2 H -1.016 0.011 -21.252 1.00 . A A . 22 PHE HE2 1 1 12 6045 1 1 23 PHE HZ H 1.089 -1.218 -21.718 1.00 . A A . 22 PHE HZ 1 1 12 6046 1 1 23 PHE N N 2.096 4.515 -17.143 1.00 . A A . 22 PHE N 1 1 12 6047 1 1 23 PHE O O -0.534 4.283 -19.571 1.00 . A A . 22 PHE O 1 1 12 6048 1 1 24 ARG C C -1.009 7.782 -18.953 1.00 . A A . 23 ARG C 1 1 12 6049 1 1 24 ARG CA C -1.372 6.554 -18.150 1.00 . A A . 23 ARG CA 1 1 12 6050 1 1 24 ARG CB C -1.990 6.982 -16.791 1.00 . A A . 23 ARG CB 1 1 12 6051 1 1 24 ARG CD C -4.092 8.189 -15.856 1.00 . A A . 23 ARG CD 1 1 12 6052 1 1 24 ARG CG C -3.524 7.181 -16.900 1.00 . A A . 23 ARG CG 1 1 12 6053 1 1 24 ARG CZ C -5.428 10.230 -15.770 1.00 . A A . 23 ARG CZ 1 1 12 6054 1 1 24 ARG H H 0.369 6.035 -17.129 1.00 . A A . 23 ARG H 1 1 12 6055 1 1 24 ARG HA H -2.112 5.942 -18.687 1.00 . A A . 23 ARG HA 1 1 12 6056 1 1 24 ARG HB2 H -1.764 6.190 -16.065 1.00 . A A . 23 ARG HB2 1 1 12 6057 1 1 24 ARG HB3 H -1.527 7.901 -16.415 1.00 . A A . 23 ARG HB3 1 1 12 6058 1 1 24 ARG HD2 H -4.856 7.640 -15.284 1.00 . A A . 23 ARG HD2 1 1 12 6059 1 1 24 ARG HD3 H -3.311 8.549 -15.183 1.00 . A A . 23 ARG HD3 1 1 12 6060 1 1 24 ARG HE H -4.430 9.607 -17.419 1.00 . A A . 23 ARG HE 1 1 12 6061 1 1 24 ARG HG2 H -3.782 7.504 -17.917 1.00 . A A . 23 ARG HG2 1 1 12 6062 1 1 24 ARG HG3 H -3.984 6.190 -16.751 1.00 . A A . 23 ARG HG3 1 1 12 6063 1 1 24 ARG HH11 H -5.320 9.343 -13.928 1.00 . A A . 23 ARG HH11 1 1 12 6064 1 1 24 ARG HH12 H -6.354 10.755 -14.029 1.00 . A A . 23 ARG HH12 1 1 12 6065 1 1 24 ARG HH21 H -5.733 11.411 -17.410 1.00 . A A . 23 ARG HH21 1 1 12 6066 1 1 24 ARG HH22 H -6.555 11.924 -15.940 1.00 . A A . 23 ARG HH22 1 1 12 6067 1 1 24 ARG N N -0.189 5.750 -17.887 1.00 . A A . 23 ARG N 1 1 12 6068 1 1 24 ARG NE N -4.652 9.406 -16.435 1.00 . A A . 23 ARG NE 1 1 12 6069 1 1 24 ARG NH1 N -5.724 10.092 -14.502 1.00 . A A . 23 ARG NH1 1 1 12 6070 1 1 24 ARG NH2 N -5.936 11.251 -16.414 1.00 . A A . 23 ARG NH2 1 1 12 6071 1 1 24 ARG O O -1.466 7.889 -20.079 1.00 . A A . 23 ARG O 1 1 12 6072 1 1 25 CYS C C 1.336 9.587 -20.039 1.00 . A A . 24 CYS C 1 1 12 6073 1 1 25 CYS CA C 0.155 9.913 -19.159 1.00 . A A . 24 CYS CA 1 1 12 6074 1 1 25 CYS CB C 0.390 11.132 -18.220 1.00 . A A . 24 CYS CB 1 1 12 6075 1 1 25 CYS H H 0.237 8.621 -17.521 1.00 . A A . 24 CYS H 1 1 12 6076 1 1 25 CYS HA H -0.687 10.204 -19.805 1.00 . A A . 24 CYS HA 1 1 12 6077 1 1 25 CYS HB2 H 0.486 12.048 -18.824 1.00 . A A . 24 CYS HB2 1 1 12 6078 1 1 25 CYS HB3 H -0.485 11.239 -17.560 1.00 . A A . 24 CYS HB3 1 1 12 6079 1 1 25 CYS N N -0.200 8.722 -18.407 1.00 . A A . 24 CYS N 1 1 12 6080 1 1 25 CYS O O 1.581 10.338 -20.970 1.00 . A A . 24 CYS O 1 1 12 6081 1 1 25 CYS SG S 1.859 11.066 -17.144 1.00 . A A . 24 CYS SG 1 1 12 6082 1 1 26 GLY C C 4.508 8.745 -19.963 1.00 . A A . 25 GLY C 1 1 12 6083 1 1 26 GLY CA C 3.255 8.189 -20.593 1.00 . A A . 25 GLY CA 1 1 12 6084 1 1 26 GLY H H 1.934 7.870 -19.007 1.00 . A A . 25 GLY H 1 1 12 6085 1 1 26 GLY HA2 H 3.337 7.098 -20.692 1.00 . A A . 25 GLY HA2 1 1 12 6086 1 1 26 GLY HA3 H 3.158 8.595 -21.610 1.00 . A A . 25 GLY HA3 1 1 12 6087 1 1 26 GLY N N 2.089 8.491 -19.777 1.00 . A A . 25 GLY N 1 1 12 6088 1 1 26 GLY O O 5.581 8.216 -20.199 1.00 . A A . 25 GLY O 1 1 12 6089 1 1 27 ALA C C 6.289 9.677 -17.628 1.00 . A A . 26 ALA C 1 1 12 6090 1 1 27 ALA CA C 5.581 10.506 -18.670 1.00 . A A . 26 ALA CA 1 1 12 6091 1 1 27 ALA CB C 5.206 11.870 -18.046 1.00 . A A . 26 ALA CB 1 1 12 6092 1 1 27 ALA H H 3.519 10.249 -18.983 1.00 . A A . 26 ALA H 1 1 12 6093 1 1 27 ALA HA H 6.248 10.693 -19.526 1.00 . A A . 26 ALA HA 1 1 12 6094 1 1 27 ALA HB1 H 4.463 12.404 -18.657 1.00 . A A . 26 ALA HB1 1 1 12 6095 1 1 27 ALA HB2 H 4.797 11.714 -17.036 1.00 . A A . 26 ALA HB2 1 1 12 6096 1 1 27 ALA HB3 H 6.106 12.492 -17.984 1.00 . A A . 26 ALA HB3 1 1 12 6097 1 1 27 ALA N N 4.398 9.837 -19.182 1.00 . A A . 26 ALA N 1 1 12 6098 1 1 27 ALA O O 5.671 8.847 -16.983 1.00 . A A . 26 ALA O 1 1 12 6099 1 1 28 ASP C C 7.909 9.356 -15.082 1.00 . A A . 27 ASP C 1 1 12 6100 1 1 28 ASP CA C 8.331 9.057 -16.497 1.00 . A A . 27 ASP CA 1 1 12 6101 1 1 28 ASP CB C 9.860 9.170 -16.690 1.00 . A A . 27 ASP CB 1 1 12 6102 1 1 28 ASP CG C 10.537 7.914 -16.221 1.00 . A A . 27 ASP CG 1 1 12 6103 1 1 28 ASP H H 8.097 10.588 -17.961 1.00 . A A . 27 ASP H 1 1 12 6104 1 1 28 ASP HA H 8.082 8.018 -16.709 1.00 . A A . 27 ASP HA 1 1 12 6105 1 1 28 ASP HB2 H 10.093 9.292 -17.758 1.00 . A A . 27 ASP HB2 1 1 12 6106 1 1 28 ASP HB3 H 10.248 10.040 -16.141 1.00 . A A . 27 ASP HB3 1 1 12 6107 1 1 28 ASP N N 7.606 9.887 -17.446 1.00 . A A . 27 ASP N 1 1 12 6108 1 1 28 ASP O O 7.446 10.455 -14.820 1.00 . A A . 27 ASP O 1 1 12 6109 1 1 28 ASP OD1 O 10.497 7.655 -14.989 1.00 . A A . 27 ASP OD1 1 1 12 6110 1 1 28 ASP OD2 O 11.101 7.187 -17.084 1.00 . A A . 27 ASP OD2 1 1 12 6111 1 1 29 LYS C C 8.589 9.889 -12.257 1.00 . A A . 28 LYS C 1 1 12 6112 1 1 29 LYS CA C 7.790 8.701 -12.745 1.00 . A A . 28 LYS CA 1 1 12 6113 1 1 29 LYS CB C 8.114 7.505 -11.813 1.00 . A A . 28 LYS CB 1 1 12 6114 1 1 29 LYS CD C 10.223 6.533 -10.707 1.00 . A A . 28 LYS CD 1 1 12 6115 1 1 29 LYS CE C 9.530 5.321 -10.045 1.00 . A A . 28 LYS CE 1 1 12 6116 1 1 29 LYS CG C 9.539 6.930 -12.029 1.00 . A A . 28 LYS CG 1 1 12 6117 1 1 29 LYS H H 8.493 7.526 -14.385 1.00 . A A . 28 LYS H 1 1 12 6118 1 1 29 LYS HA H 6.719 8.942 -12.646 1.00 . A A . 28 LYS HA 1 1 12 6119 1 1 29 LYS HB2 H 7.957 7.840 -10.776 1.00 . A A . 28 LYS HB2 1 1 12 6120 1 1 29 LYS HB3 H 7.415 6.687 -12.004 1.00 . A A . 28 LYS HB3 1 1 12 6121 1 1 29 LYS HD2 H 11.273 6.273 -10.920 1.00 . A A . 28 LYS HD2 1 1 12 6122 1 1 29 LYS HD3 H 10.215 7.405 -10.035 1.00 . A A . 28 LYS HD3 1 1 12 6123 1 1 29 LYS HE2 H 8.473 5.549 -9.839 1.00 . A A . 28 LYS HE2 1 1 12 6124 1 1 29 LYS HE3 H 9.575 4.449 -10.719 1.00 . A A . 28 LYS HE3 1 1 12 6125 1 1 29 LYS HG2 H 9.503 6.059 -12.705 1.00 . A A . 28 LYS HG2 1 1 12 6126 1 1 29 LYS HG3 H 10.198 7.682 -12.473 1.00 . A A . 28 LYS HG3 1 1 12 6127 1 1 29 LYS HZ1 H 9.600 4.355 -8.187 1.00 . A A . 28 LYS HZ1 1 1 12 6128 1 1 29 LYS HZ2 H 10.385 5.890 -8.179 1.00 . A A . 28 LYS HZ2 1 1 12 6129 1 1 29 LYS HZ3 H 11.185 4.563 -8.984 1.00 . A A . 28 LYS HZ3 1 1 12 6130 1 1 29 LYS N N 8.086 8.407 -14.142 1.00 . A A . 28 LYS N 1 1 12 6131 1 1 29 LYS NZ N 10.222 5.007 -8.779 1.00 . A A . 28 LYS NZ 1 1 12 6132 1 1 29 LYS O O 8.151 10.523 -11.311 1.00 . A A . 28 LYS O 1 1 12 6133 1 1 30 PHE C C 10.513 12.433 -13.506 1.00 . A A . 29 PHE C 1 1 12 6134 1 1 30 PHE CA C 10.556 11.339 -12.466 1.00 . A A . 29 PHE CA 1 1 12 6135 1 1 30 PHE CB C 12.012 10.861 -12.218 1.00 . A A . 29 PHE CB 1 1 12 6136 1 1 30 PHE CD1 C 12.496 12.440 -10.294 1.00 . A A . 29 PHE CD1 1 1 12 6137 1 1 30 PHE CD2 C 12.781 10.068 -9.925 1.00 . A A . 29 PHE CD2 1 1 12 6138 1 1 30 PHE CE1 C 12.894 12.693 -8.981 1.00 . A A . 29 PHE CE1 1 1 12 6139 1 1 30 PHE CE2 C 13.198 10.323 -8.618 1.00 . A A . 29 PHE CE2 1 1 12 6140 1 1 30 PHE CG C 12.440 11.127 -10.772 1.00 . A A . 29 PHE CG 1 1 12 6141 1 1 30 PHE CZ C 13.254 11.635 -8.144 1.00 . A A . 29 PHE CZ 1 1 12 6142 1 1 30 PHE H H 10.089 9.667 -13.661 1.00 . A A . 29 PHE H 1 1 12 6143 1 1 30 PHE HA H 10.160 11.792 -11.544 1.00 . A A . 29 PHE HA 1 1 12 6144 1 1 30 PHE HB2 H 12.086 9.783 -12.423 1.00 . A A . 29 PHE HB2 1 1 12 6145 1 1 30 PHE HB3 H 12.726 11.364 -12.886 1.00 . A A . 29 PHE HB3 1 1 12 6146 1 1 30 PHE HD1 H 12.229 13.269 -10.941 1.00 . A A . 29 PHE HD1 1 1 12 6147 1 1 30 PHE HD2 H 12.728 9.043 -10.273 1.00 . A A . 29 PHE HD2 1 1 12 6148 1 1 30 PHE HE1 H 12.926 13.713 -8.611 1.00 . A A . 29 PHE HE1 1 1 12 6149 1 1 30 PHE HE2 H 13.479 9.499 -7.971 1.00 . A A . 29 PHE HE2 1 1 12 6150 1 1 30 PHE HZ H 13.578 11.832 -7.128 1.00 . A A . 29 PHE HZ 1 1 12 6151 1 1 30 PHE N N 9.752 10.195 -12.880 1.00 . A A . 29 PHE N 1 1 12 6152 1 1 30 PHE O O 11.337 13.332 -13.455 1.00 . A A . 29 PHE O 1 1 12 6153 1 1 31 ASP C C 8.050 13.568 -15.919 1.00 . A A . 30 ASP C 1 1 12 6154 1 1 31 ASP CA C 9.476 13.451 -15.452 1.00 . A A . 30 ASP CA 1 1 12 6155 1 1 31 ASP CB C 10.373 13.046 -16.645 1.00 . A A . 30 ASP CB 1 1 12 6156 1 1 31 ASP CG C 10.902 14.272 -17.335 1.00 . A A . 30 ASP CG 1 1 12 6157 1 1 31 ASP H H 8.929 11.625 -14.546 1.00 . A A . 30 ASP H 1 1 12 6158 1 1 31 ASP HA H 9.782 14.420 -15.030 1.00 . A A . 30 ASP HA 1 1 12 6159 1 1 31 ASP HB2 H 11.228 12.466 -16.270 1.00 . A A . 30 ASP HB2 1 1 12 6160 1 1 31 ASP HB3 H 9.815 12.409 -17.350 1.00 . A A . 30 ASP HB3 1 1 12 6161 1 1 31 ASP N N 9.561 12.390 -14.458 1.00 . A A . 30 ASP N 1 1 12 6162 1 1 31 ASP O O 7.806 13.979 -17.040 1.00 . A A . 30 ASP O 1 1 12 6163 1 1 31 ASP OD1 O 10.199 14.831 -18.218 1.00 . A A . 30 ASP OD1 1 1 12 6164 1 1 31 ASP OD2 O 12.043 14.684 -16.996 1.00 . A A . 30 ASP OD2 1 1 12 6165 1 1 32 NH2 HN1 H 7.175 12.937 -14.131 1.00 . A A . 31 NH2 HN1 1 1 12 6166 1 1 32 NH2 HN2 H 6.167 13.107 -15.501 1.00 . A A . 31 NH2 HN2 1 1 12 6167 1 1 32 NH2 N N 7.059 13.190 -15.091 1.00 . A A . 31 NH2 N 1 1 12 6168 2 2 1 ZN ZN ZN 1.312 9.879 -15.166 1.00 . B A . 32 ZN ZN 1 1 13 6169 1 1 1 ACE C C -0.736 -0.304 -2.446 1.00 . A A . 0 ACE C 1 1 13 6170 1 1 1 ACE CH3 C -2.161 -0.523 -2.031 1.00 . A A . 0 ACE CH3 1 1 13 6171 1 1 1 ACE H1 H -2.479 0.300 -1.374 1.00 . A A . 0 ACE H1 1 1 13 6172 1 1 1 ACE H2 H -2.249 -1.481 -1.497 1.00 . A A . 0 ACE H2 1 1 13 6173 1 1 1 ACE H3 H -2.809 -0.544 -2.920 1.00 . A A . 0 ACE H3 1 1 13 6174 1 1 1 ACE O O -0.501 -0.145 -3.630 1.00 . A A . 0 ACE O 1 1 13 6175 1 1 2 LYS C C 2.296 -1.327 -2.249 1.00 . A A . 1 LYS C 1 1 13 6176 1 1 2 LYS CA C 1.616 -0.031 -1.880 1.00 . A A . 1 LYS CA 1 1 13 6177 1 1 2 LYS CB C 2.310 0.703 -0.701 1.00 . A A . 1 LYS CB 1 1 13 6178 1 1 2 LYS CD C 4.031 2.422 0.047 1.00 . A A . 1 LYS CD 1 1 13 6179 1 1 2 LYS CE C 3.563 3.903 0.029 1.00 . A A . 1 LYS CE 1 1 13 6180 1 1 2 LYS CG C 3.486 1.604 -1.158 1.00 . A A . 1 LYS CG 1 1 13 6181 1 1 2 LYS H H 0.011 -0.490 -0.547 1.00 . A A . 1 LYS H 1 1 13 6182 1 1 2 LYS HA H 1.638 0.637 -2.750 1.00 . A A . 1 LYS HA 1 1 13 6183 1 1 2 LYS HB2 H 1.571 1.361 -0.220 1.00 . A A . 1 LYS HB2 1 1 13 6184 1 1 2 LYS HB3 H 2.655 -0.032 0.044 1.00 . A A . 1 LYS HB3 1 1 13 6185 1 1 2 LYS HD2 H 3.686 1.969 0.990 1.00 . A A . 1 LYS HD2 1 1 13 6186 1 1 2 LYS HD3 H 5.130 2.385 0.054 1.00 . A A . 1 LYS HD3 1 1 13 6187 1 1 2 LYS HE2 H 2.495 3.968 -0.235 1.00 . A A . 1 LYS HE2 1 1 13 6188 1 1 2 LYS HE3 H 3.686 4.315 1.043 1.00 . A A . 1 LYS HE3 1 1 13 6189 1 1 2 LYS HG2 H 4.282 0.971 -1.581 1.00 . A A . 1 LYS HG2 1 1 13 6190 1 1 2 LYS HG3 H 3.141 2.290 -1.946 1.00 . A A . 1 LYS HG3 1 1 13 6191 1 1 2 LYS HZ1 H 4.185 4.488 -1.932 1.00 . A A . 1 LYS HZ1 1 1 13 6192 1 1 2 LYS HZ2 H 5.428 4.627 -0.708 1.00 . A A . 1 LYS HZ2 1 1 13 6193 1 1 2 LYS HZ3 H 4.131 5.778 -0.759 1.00 . A A . 1 LYS HZ3 1 1 13 6194 1 1 2 LYS N N 0.230 -0.298 -1.503 1.00 . A A . 1 LYS N 1 1 13 6195 1 1 2 LYS NZ N 4.368 4.732 -0.896 1.00 . A A . 1 LYS NZ 1 1 13 6196 1 1 2 LYS O O 3.362 -1.627 -1.734 1.00 . A A . 1 LYS O 1 1 13 6197 1 1 3 PHE C C 3.309 -3.279 -4.508 1.00 . A A . 2 PHE C 1 1 13 6198 1 1 3 PHE CA C 2.246 -3.442 -3.452 1.00 . A A . 2 PHE CA 1 1 13 6199 1 1 3 PHE CB C 1.104 -4.394 -3.894 1.00 . A A . 2 PHE CB 1 1 13 6200 1 1 3 PHE CD1 C 2.132 -6.544 -2.972 1.00 . A A . 2 PHE CD1 1 1 13 6201 1 1 3 PHE CD2 C 1.357 -6.532 -5.254 1.00 . A A . 2 PHE CD2 1 1 13 6202 1 1 3 PHE CE1 C 2.558 -7.864 -3.121 1.00 . A A . 2 PHE CE1 1 1 13 6203 1 1 3 PHE CE2 C 1.740 -7.868 -5.391 1.00 . A A . 2 PHE CE2 1 1 13 6204 1 1 3 PHE CG C 1.547 -5.858 -4.043 1.00 . A A . 2 PHE CG 1 1 13 6205 1 1 3 PHE CZ C 2.350 -8.535 -4.327 1.00 . A A . 2 PHE CZ 1 1 13 6206 1 1 3 PHE H H 0.885 -1.820 -3.658 1.00 . A A . 2 PHE H 1 1 13 6207 1 1 3 PHE HA H 2.712 -3.857 -2.546 1.00 . A A . 2 PHE HA 1 1 13 6208 1 1 3 PHE HB2 H 0.310 -4.372 -3.133 1.00 . A A . 2 PHE HB2 1 1 13 6209 1 1 3 PHE HB3 H 0.679 -4.016 -4.838 1.00 . A A . 2 PHE HB3 1 1 13 6210 1 1 3 PHE HD1 H 2.257 -6.066 -2.008 1.00 . A A . 2 PHE HD1 1 1 13 6211 1 1 3 PHE HD2 H 0.903 -6.026 -6.100 1.00 . A A . 2 PHE HD2 1 1 13 6212 1 1 3 PHE HE1 H 3.051 -8.371 -2.297 1.00 . A A . 2 PHE HE1 1 1 13 6213 1 1 3 PHE HE2 H 1.562 -8.390 -6.325 1.00 . A A . 2 PHE HE2 1 1 13 6214 1 1 3 PHE HZ H 2.660 -9.569 -4.436 1.00 . A A . 2 PHE HZ 1 1 13 6215 1 1 3 PHE N N 1.690 -2.129 -3.149 1.00 . A A . 2 PHE N 1 1 13 6216 1 1 3 PHE O O 3.156 -3.783 -5.608 1.00 . A A . 2 PHE O 1 1 13 6217 1 1 4 GLU C C 4.997 -1.558 -6.280 1.00 . A A . 3 GLU C 1 1 13 6218 1 1 4 GLU CA C 5.493 -2.381 -5.113 1.00 . A A . 3 GLU CA 1 1 13 6219 1 1 4 GLU CB C 6.097 -3.767 -5.478 1.00 . A A . 3 GLU CB 1 1 13 6220 1 1 4 GLU CD C 8.404 -4.799 -5.297 1.00 . A A . 3 GLU CD 1 1 13 6221 1 1 4 GLU CG C 7.580 -3.720 -5.938 1.00 . A A . 3 GLU CG 1 1 13 6222 1 1 4 GLU H H 4.495 -2.174 -3.246 1.00 . A A . 3 GLU H 1 1 13 6223 1 1 4 GLU HA H 6.264 -1.789 -4.594 1.00 . A A . 3 GLU HA 1 1 13 6224 1 1 4 GLU HB2 H 6.051 -4.378 -4.564 1.00 . A A . 3 GLU HB2 1 1 13 6225 1 1 4 GLU HB3 H 5.499 -4.273 -6.253 1.00 . A A . 3 GLU HB3 1 1 13 6226 1 1 4 GLU HG2 H 7.647 -3.896 -7.021 1.00 . A A . 3 GLU HG2 1 1 13 6227 1 1 4 GLU HG3 H 8.056 -2.761 -5.692 1.00 . A A . 3 GLU HG3 1 1 13 6228 1 1 4 GLU N N 4.403 -2.568 -4.164 1.00 . A A . 3 GLU N 1 1 13 6229 1 1 4 GLU O O 4.895 -2.049 -7.393 1.00 . A A . 3 GLU O 1 1 13 6230 1 1 4 GLU OE1 O 8.244 -5.981 -5.701 1.00 . A A . 3 GLU OE1 1 1 13 6231 1 1 4 GLU OE2 O 9.224 -4.463 -4.401 1.00 . A A . 3 GLU OE2 1 1 13 6232 1 1 5 ASP C C 4.493 2.032 -6.789 1.00 . A A . 4 ASP C 1 1 13 6233 1 1 5 ASP CA C 4.179 0.590 -7.096 1.00 . A A . 4 ASP CA 1 1 13 6234 1 1 5 ASP CB C 2.666 0.330 -7.266 1.00 . A A . 4 ASP CB 1 1 13 6235 1 1 5 ASP CG C 1.956 0.401 -5.948 1.00 . A A . 4 ASP CG 1 1 13 6236 1 1 5 ASP H H 4.713 0.125 -5.109 1.00 . A A . 4 ASP H 1 1 13 6237 1 1 5 ASP HA H 4.695 0.381 -8.040 1.00 . A A . 4 ASP HA 1 1 13 6238 1 1 5 ASP HB2 H 2.214 1.044 -7.963 1.00 . A A . 4 ASP HB2 1 1 13 6239 1 1 5 ASP HB3 H 2.514 -0.681 -7.669 1.00 . A A . 4 ASP HB3 1 1 13 6240 1 1 5 ASP N N 4.682 -0.268 -6.030 1.00 . A A . 4 ASP N 1 1 13 6241 1 1 5 ASP O O 5.083 2.301 -5.754 1.00 . A A . 4 ASP O 1 1 13 6242 1 1 5 ASP OD1 O 2.407 1.177 -5.061 1.00 . A A . 4 ASP OD1 1 1 13 6243 1 1 5 ASP OD2 O 0.955 -0.347 -5.797 1.00 . A A . 4 ASP OD2 1 1 13 6244 1 1 6 TRP C C 3.250 5.190 -8.040 1.00 . A A . 5 TRP C 1 1 13 6245 1 1 6 TRP CA C 4.371 4.378 -7.450 1.00 . A A . 5 TRP CA 1 1 13 6246 1 1 6 TRP CB C 5.712 4.777 -8.097 1.00 . A A . 5 TRP CB 1 1 13 6247 1 1 6 TRP CD1 C 6.274 3.130 -9.936 1.00 . A A . 5 TRP CD1 1 1 13 6248 1 1 6 TRP CD2 C 5.307 5.022 -10.749 1.00 . A A . 5 TRP CD2 1 1 13 6249 1 1 6 TRP CE2 C 5.668 4.163 -11.770 1.00 . A A . 5 TRP CE2 1 1 13 6250 1 1 6 TRP CE3 C 4.678 6.245 -10.981 1.00 . A A . 5 TRP CE3 1 1 13 6251 1 1 6 TRP CG C 5.773 4.299 -9.520 1.00 . A A . 5 TRP CG 1 1 13 6252 1 1 6 TRP CH2 C 4.915 5.760 -13.357 1.00 . A A . 5 TRP CH2 1 1 13 6253 1 1 6 TRP CZ2 C 5.483 4.510 -13.103 1.00 . A A . 5 TRP CZ2 1 1 13 6254 1 1 6 TRP CZ3 C 4.492 6.594 -12.319 1.00 . A A . 5 TRP CZ3 1 1 13 6255 1 1 6 TRP H H 3.726 2.713 -8.577 1.00 . A A . 5 TRP H 1 1 13 6256 1 1 6 TRP HA H 4.405 4.590 -6.369 1.00 . A A . 5 TRP HA 1 1 13 6257 1 1 6 TRP HB2 H 5.875 5.864 -8.065 1.00 . A A . 5 TRP HB2 1 1 13 6258 1 1 6 TRP HB3 H 6.516 4.286 -7.527 1.00 . A A . 5 TRP HB3 1 1 13 6259 1 1 6 TRP HD1 H 6.659 2.424 -9.215 1.00 . A A . 5 TRP HD1 1 1 13 6260 1 1 6 TRP HE1 H 6.511 2.225 -11.789 1.00 . A A . 5 TRP HE1 1 1 13 6261 1 1 6 TRP HE3 H 4.375 6.880 -10.162 1.00 . A A . 5 TRP HE3 1 1 13 6262 1 1 6 TRP HH2 H 4.811 6.098 -14.372 1.00 . A A . 5 TRP HH2 1 1 13 6263 1 1 6 TRP HZ2 H 5.758 3.877 -13.929 1.00 . A A . 5 TRP HZ2 1 1 13 6264 1 1 6 TRP HZ3 H 4.027 7.523 -12.594 1.00 . A A . 5 TRP HZ3 1 1 13 6265 1 1 6 TRP N N 4.129 2.965 -7.695 1.00 . A A . 5 TRP N 1 1 13 6266 1 1 6 TRP NE1 N 6.200 3.041 -11.239 1.00 . A A . 5 TRP NE1 1 1 13 6267 1 1 6 TRP O O 2.520 4.654 -8.858 1.00 . A A . 5 TRP O 1 1 13 6268 1 1 7 LEU C C 2.635 8.376 -8.987 1.00 . A A . 6 LEU C 1 1 13 6269 1 1 7 LEU CA C 2.048 7.328 -8.088 1.00 . A A . 6 LEU CA 1 1 13 6270 1 1 7 LEU CB C 1.370 8.068 -6.915 1.00 . A A . 6 LEU CB 1 1 13 6271 1 1 7 LEU CD1 C 0.622 7.258 -4.621 1.00 . A A . 6 LEU CD1 1 1 13 6272 1 1 7 LEU CD2 C -1.081 7.435 -6.523 1.00 . A A . 6 LEU CD2 1 1 13 6273 1 1 7 LEU CG C 0.395 7.131 -6.146 1.00 . A A . 6 LEU CG 1 1 13 6274 1 1 7 LEU H H 3.790 6.871 -6.986 1.00 . A A . 6 LEU H 1 1 13 6275 1 1 7 LEU HA H 1.273 6.759 -8.614 1.00 . A A . 6 LEU HA 1 1 13 6276 1 1 7 LEU HB2 H 2.155 8.462 -6.252 1.00 . A A . 6 LEU HB2 1 1 13 6277 1 1 7 LEU HB3 H 0.830 8.936 -7.324 1.00 . A A . 6 LEU HB3 1 1 13 6278 1 1 7 LEU HD11 H -0.070 6.597 -4.076 1.00 . A A . 6 LEU HD11 1 1 13 6279 1 1 7 LEU HD12 H 0.462 8.296 -4.295 1.00 . A A . 6 LEU HD12 1 1 13 6280 1 1 7 LEU HD13 H 1.652 6.953 -4.375 1.00 . A A . 6 LEU HD13 1 1 13 6281 1 1 7 LEU HD21 H -1.283 7.074 -7.543 1.00 . A A . 6 LEU HD21 1 1 13 6282 1 1 7 LEU HD22 H -1.297 8.514 -6.476 1.00 . A A . 6 LEU HD22 1 1 13 6283 1 1 7 LEU HD23 H -1.766 6.923 -5.830 1.00 . A A . 6 LEU HD23 1 1 13 6284 1 1 7 LEU HG H 0.601 6.076 -6.393 1.00 . A A . 6 LEU HG 1 1 13 6285 1 1 7 LEU N N 3.126 6.468 -7.615 1.00 . A A . 6 LEU N 1 1 13 6286 1 1 7 LEU O O 3.574 9.046 -8.588 1.00 . A A . 6 LEU O 1 1 13 6287 1 1 8 CYS C C 2.584 10.909 -10.581 1.00 . A A . 7 CYS C 1 1 13 6288 1 1 8 CYS CA C 2.674 9.500 -11.114 1.00 . A A . 7 CYS CA 1 1 13 6289 1 1 8 CYS CB C 1.905 9.377 -12.447 1.00 . A A . 7 CYS CB 1 1 13 6290 1 1 8 CYS H H 1.342 7.948 -10.532 1.00 . A A . 7 CYS H 1 1 13 6291 1 1 8 CYS HA H 3.740 9.277 -11.246 1.00 . A A . 7 CYS HA 1 1 13 6292 1 1 8 CYS HB2 H 1.860 8.346 -12.831 1.00 . A A . 7 CYS HB2 1 1 13 6293 1 1 8 CYS HB3 H 0.887 9.753 -12.320 1.00 . A A . 7 CYS HB3 1 1 13 6294 1 1 8 CYS N N 2.102 8.520 -10.212 1.00 . A A . 7 CYS N 1 1 13 6295 1 1 8 CYS O O 1.670 11.194 -9.826 1.00 . A A . 7 CYS O 1 1 13 6296 1 1 8 CYS SG S 2.708 10.410 -13.670 1.00 . A A . 7 CYS SG 1 1 13 6297 1 1 9 ASN C C 2.796 14.101 -11.483 1.00 . A A . 8 ASN C 1 1 13 6298 1 1 9 ASN CA C 3.504 13.186 -10.503 1.00 . A A . 8 ASN CA 1 1 13 6299 1 1 9 ASN CB C 4.969 13.644 -10.238 1.00 . A A . 8 ASN CB 1 1 13 6300 1 1 9 ASN CG C 5.158 14.068 -8.803 1.00 . A A . 8 ASN CG 1 1 13 6301 1 1 9 ASN H H 4.207 11.550 -11.664 1.00 . A A . 8 ASN H 1 1 13 6302 1 1 9 ASN HA H 2.945 13.255 -9.558 1.00 . A A . 8 ASN HA 1 1 13 6303 1 1 9 ASN HB2 H 5.669 12.808 -10.384 1.00 . A A . 8 ASN HB2 1 1 13 6304 1 1 9 ASN HB3 H 5.275 14.433 -10.942 1.00 . A A . 8 ASN HB3 1 1 13 6305 1 1 9 ASN HD21 H 5.538 16.047 -9.218 1.00 . A A . 8 ASN HD21 1 1 13 6306 1 1 9 ASN HD22 H 5.583 15.598 -7.549 1.00 . A A . 8 ASN HD22 1 1 13 6307 1 1 9 ASN N N 3.517 11.804 -10.985 1.00 . A A . 8 ASN N 1 1 13 6308 1 1 9 ASN ND2 N 5.449 15.349 -8.508 1.00 . A A . 8 ASN ND2 1 1 13 6309 1 1 9 ASN O O 3.070 15.291 -11.504 1.00 . A A . 8 ASN O 1 1 13 6310 1 1 9 ASN OD1 O 5.048 13.225 -7.928 1.00 . A A . 8 ASN OD1 1 1 13 6311 1 1 10 LYS C C -0.251 13.972 -13.363 1.00 . A A . 9 LYS C 1 1 13 6312 1 1 10 LYS CA C 1.212 14.339 -13.348 1.00 . A A . 9 LYS CA 1 1 13 6313 1 1 10 LYS CB C 1.915 14.024 -14.697 1.00 . A A . 9 LYS CB 1 1 13 6314 1 1 10 LYS CD C 1.491 16.023 -16.292 1.00 . A A . 9 LYS CD 1 1 13 6315 1 1 10 LYS CE C 2.055 16.239 -17.721 1.00 . A A . 9 LYS CE 1 1 13 6316 1 1 10 LYS CG C 2.515 15.279 -15.385 1.00 . A A . 9 LYS CG 1 1 13 6317 1 1 10 LYS H H 1.685 12.587 -12.265 1.00 . A A . 9 LYS H 1 1 13 6318 1 1 10 LYS HA H 1.249 15.415 -13.120 1.00 . A A . 9 LYS HA 1 1 13 6319 1 1 10 LYS HB2 H 2.753 13.340 -14.486 1.00 . A A . 9 LYS HB2 1 1 13 6320 1 1 10 LYS HB3 H 1.244 13.493 -15.390 1.00 . A A . 9 LYS HB3 1 1 13 6321 1 1 10 LYS HD2 H 0.558 15.446 -16.394 1.00 . A A . 9 LYS HD2 1 1 13 6322 1 1 10 LYS HD3 H 1.227 16.995 -15.846 1.00 . A A . 9 LYS HD3 1 1 13 6323 1 1 10 LYS HE2 H 2.454 15.289 -18.118 1.00 . A A . 9 LYS HE2 1 1 13 6324 1 1 10 LYS HE3 H 1.234 16.554 -18.384 1.00 . A A . 9 LYS HE3 1 1 13 6325 1 1 10 LYS HG2 H 2.940 15.972 -14.641 1.00 . A A . 9 LYS HG2 1 1 13 6326 1 1 10 LYS HG3 H 3.357 14.918 -15.992 1.00 . A A . 9 LYS HG3 1 1 13 6327 1 1 10 LYS HZ1 H 3.502 17.381 -18.745 1.00 . A A . 9 LYS HZ1 1 1 13 6328 1 1 10 LYS HZ2 H 3.926 17.064 -17.085 1.00 . A A . 9 LYS HZ2 1 1 13 6329 1 1 10 LYS HZ3 H 2.688 18.240 -17.462 1.00 . A A . 9 LYS HZ3 1 1 13 6330 1 1 10 LYS N N 1.877 13.558 -12.309 1.00 . A A . 9 LYS N 1 1 13 6331 1 1 10 LYS NZ N 3.101 17.282 -17.747 1.00 . A A . 9 LYS NZ 1 1 13 6332 1 1 10 LYS O O -1.079 14.844 -13.160 1.00 . A A . 9 LYS O 1 1 13 6333 1 1 11 CYS C C -2.288 11.539 -12.200 1.00 . A A . 10 CYS C 1 1 13 6334 1 1 11 CYS CA C -1.978 12.260 -13.498 1.00 . A A . 10 CYS CA 1 1 13 6335 1 1 11 CYS CB C -2.262 11.364 -14.718 1.00 . A A . 10 CYS CB 1 1 13 6336 1 1 11 CYS H H 0.109 12.001 -13.791 1.00 . A A . 10 CYS H 1 1 13 6337 1 1 11 CYS HA H -2.670 13.108 -13.589 1.00 . A A . 10 CYS HA 1 1 13 6338 1 1 11 CYS HB2 H -3.329 11.108 -14.738 1.00 . A A . 10 CYS HB2 1 1 13 6339 1 1 11 CYS HB3 H -2.008 11.890 -15.648 1.00 . A A . 10 CYS HB3 1 1 13 6340 1 1 11 CYS N N -0.586 12.684 -13.585 1.00 . A A . 10 CYS N 1 1 13 6341 1 1 11 CYS O O -3.423 11.126 -12.022 1.00 . A A . 10 CYS O 1 1 13 6342 1 1 11 CYS SG S -1.216 9.895 -14.583 1.00 . A A . 10 CYS SG 1 1 13 6343 1 1 12 CYS C C -2.066 9.311 -10.108 1.00 . A A . 11 CYS C 1 1 13 6344 1 1 12 CYS CA C -1.628 10.752 -9.981 1.00 . A A . 11 CYS CA 1 1 13 6345 1 1 12 CYS CB C -2.659 11.639 -9.238 1.00 . A A . 11 CYS CB 1 1 13 6346 1 1 12 CYS H H -0.384 11.686 -11.395 1.00 . A A . 11 CYS H 1 1 13 6347 1 1 12 CYS HA H -0.711 10.726 -9.372 1.00 . A A . 11 CYS HA 1 1 13 6348 1 1 12 CYS HB2 H -2.693 12.630 -9.717 1.00 . A A . 11 CYS HB2 1 1 13 6349 1 1 12 CYS HB3 H -3.667 11.196 -9.273 1.00 . A A . 11 CYS HB3 1 1 13 6350 1 1 12 CYS HG H -2.790 12.657 -7.298 1.00 . A A . 11 CYS HG 1 1 13 6351 1 1 12 CYS N N -1.320 11.371 -11.267 1.00 . A A . 11 CYS N 1 1 13 6352 1 1 12 CYS O O -2.662 8.781 -9.184 1.00 . A A . 11 CYS O 1 1 13 6353 1 1 12 CYS SG S -2.150 11.906 -7.509 1.00 . A A . 11 CYS SG 1 1 13 6354 1 1 13 LEU C C -1.162 6.354 -10.869 1.00 . A A . 12 LEU C 1 1 13 6355 1 1 13 LEU CA C -2.197 7.283 -11.448 1.00 . A A . 12 LEU CA 1 1 13 6356 1 1 13 LEU CB C -2.293 6.985 -12.962 1.00 . A A . 12 LEU CB 1 1 13 6357 1 1 13 LEU CD1 C -4.538 5.797 -13.393 1.00 . A A . 12 LEU CD1 1 1 13 6358 1 1 13 LEU CD2 C -2.395 4.967 -14.572 1.00 . A A . 12 LEU CD2 1 1 13 6359 1 1 13 LEU CG C -2.994 5.637 -13.300 1.00 . A A . 12 LEU CG 1 1 13 6360 1 1 13 LEU H H -1.250 9.081 -11.977 1.00 . A A . 12 LEU H 1 1 13 6361 1 1 13 LEU HA H -3.196 7.155 -11.002 1.00 . A A . 12 LEU HA 1 1 13 6362 1 1 13 LEU HB2 H -2.878 7.800 -13.388 1.00 . A A . 12 LEU HB2 1 1 13 6363 1 1 13 LEU HB3 H -1.271 7.042 -13.367 1.00 . A A . 12 LEU HB3 1 1 13 6364 1 1 13 LEU HD11 H -4.846 6.100 -14.401 1.00 . A A . 12 LEU HD11 1 1 13 6365 1 1 13 LEU HD12 H -4.911 6.549 -12.683 1.00 . A A . 12 LEU HD12 1 1 13 6366 1 1 13 LEU HD13 H -5.027 4.838 -13.164 1.00 . A A . 12 LEU HD13 1 1 13 6367 1 1 13 LEU HD21 H -1.711 5.640 -15.102 1.00 . A A . 12 LEU HD21 1 1 13 6368 1 1 13 LEU HD22 H -3.179 4.644 -15.272 1.00 . A A . 12 LEU HD22 1 1 13 6369 1 1 13 LEU HD23 H -1.811 4.078 -14.290 1.00 . A A . 12 LEU HD23 1 1 13 6370 1 1 13 LEU HG H -2.809 4.936 -12.475 1.00 . A A . 12 LEU HG 1 1 13 6371 1 1 13 LEU N N -1.772 8.657 -11.249 1.00 . A A . 12 LEU N 1 1 13 6372 1 1 13 LEU O O 0.025 6.596 -11.027 1.00 . A A . 12 LEU O 1 1 13 6373 1 1 14 ASN C C -0.094 3.460 -10.779 1.00 . A A . 13 ASN C 1 1 13 6374 1 1 14 ASN CA C -0.710 4.286 -9.674 1.00 . A A . 13 ASN CA 1 1 13 6375 1 1 14 ASN CB C -1.458 3.386 -8.660 1.00 . A A . 13 ASN CB 1 1 13 6376 1 1 14 ASN CG C -0.763 2.069 -8.481 1.00 . A A . 13 ASN CG 1 1 13 6377 1 1 14 ASN H H -2.608 5.138 -10.091 1.00 . A A . 13 ASN H 1 1 13 6378 1 1 14 ASN HA H 0.083 4.804 -9.125 1.00 . A A . 13 ASN HA 1 1 13 6379 1 1 14 ASN HB2 H -1.525 3.920 -7.698 1.00 . A A . 13 ASN HB2 1 1 13 6380 1 1 14 ASN HB3 H -2.481 3.157 -8.993 1.00 . A A . 13 ASN HB3 1 1 13 6381 1 1 14 ASN HD21 H -1.665 1.183 -10.107 1.00 . A A . 13 ASN HD21 1 1 13 6382 1 1 14 ASN HD22 H -0.570 0.186 -9.212 1.00 . A A . 13 ASN HD22 1 1 13 6383 1 1 14 ASN N N -1.628 5.280 -10.204 1.00 . A A . 13 ASN N 1 1 13 6384 1 1 14 ASN ND2 N -1.023 1.067 -9.347 1.00 . A A . 13 ASN ND2 1 1 13 6385 1 1 14 ASN O O -0.744 3.265 -11.793 1.00 . A A . 13 ASN O 1 1 13 6386 1 1 14 ASN OD1 O 0.014 1.950 -7.551 1.00 . A A . 13 ASN OD1 1 1 13 6387 1 1 15 ASN C C 2.751 1.156 -10.961 1.00 . A A . 14 ASN C 1 1 13 6388 1 1 15 ASN CA C 1.764 2.103 -11.596 1.00 . A A . 14 ASN CA 1 1 13 6389 1 1 15 ASN CB C 2.562 2.928 -12.625 1.00 . A A . 14 ASN CB 1 1 13 6390 1 1 15 ASN CG C 1.622 3.525 -13.630 1.00 . A A . 14 ASN CG 1 1 13 6391 1 1 15 ASN H H 1.681 3.176 -9.770 1.00 . A A . 14 ASN H 1 1 13 6392 1 1 15 ASN HA H 0.981 1.525 -12.110 1.00 . A A . 14 ASN HA 1 1 13 6393 1 1 15 ASN HB2 H 3.115 3.692 -12.065 1.00 . A A . 14 ASN HB2 1 1 13 6394 1 1 15 ASN HB3 H 3.279 2.289 -13.165 1.00 . A A . 14 ASN HB3 1 1 13 6395 1 1 15 ASN HD21 H 1.954 5.486 -13.068 1.00 . A A . 14 ASN HD21 1 1 13 6396 1 1 15 ASN HD22 H 0.764 5.210 -14.288 1.00 . A A . 14 ASN HD22 1 1 13 6397 1 1 15 ASN N N 1.147 2.958 -10.590 1.00 . A A . 14 ASN N 1 1 13 6398 1 1 15 ASN ND2 N 1.448 4.856 -13.658 1.00 . A A . 14 ASN ND2 1 1 13 6399 1 1 15 ASN O O 3.457 1.561 -10.052 1.00 . A A . 14 ASN O 1 1 13 6400 1 1 15 ASN OD1 O 1.032 2.786 -14.403 1.00 . A A . 14 ASN OD1 1 1 13 6401 1 1 16 PHE C C 5.111 -0.585 -10.759 1.00 . A A . 15 PHE C 1 1 13 6402 1 1 16 PHE CA C 3.689 -1.096 -10.858 1.00 . A A . 15 PHE CA 1 1 13 6403 1 1 16 PHE CB C 3.672 -2.451 -11.631 1.00 . A A . 15 PHE CB 1 1 13 6404 1 1 16 PHE CD1 C 3.879 -4.274 -9.875 1.00 . A A . 15 PHE CD1 1 1 13 6405 1 1 16 PHE CD2 C 1.722 -3.919 -10.899 1.00 . A A . 15 PHE CD2 1 1 13 6406 1 1 16 PHE CE1 C 3.351 -5.323 -9.120 1.00 . A A . 15 PHE CE1 1 1 13 6407 1 1 16 PHE CE2 C 1.197 -4.979 -10.156 1.00 . A A . 15 PHE CE2 1 1 13 6408 1 1 16 PHE CG C 3.072 -3.576 -10.778 1.00 . A A . 15 PHE CG 1 1 13 6409 1 1 16 PHE CZ C 2.011 -5.686 -9.270 1.00 . A A . 15 PHE CZ 1 1 13 6410 1 1 16 PHE H H 2.187 -0.384 -12.185 1.00 . A A . 15 PHE H 1 1 13 6411 1 1 16 PHE HA H 3.303 -1.286 -9.847 1.00 . A A . 15 PHE HA 1 1 13 6412 1 1 16 PHE HB2 H 3.112 -2.391 -12.576 1.00 . A A . 15 PHE HB2 1 1 13 6413 1 1 16 PHE HB3 H 4.693 -2.745 -11.911 1.00 . A A . 15 PHE HB3 1 1 13 6414 1 1 16 PHE HD1 H 4.922 -4.011 -9.751 1.00 . A A . 15 PHE HD1 1 1 13 6415 1 1 16 PHE HD2 H 1.072 -3.367 -11.569 1.00 . A A . 15 PHE HD2 1 1 13 6416 1 1 16 PHE HE1 H 3.982 -5.858 -8.418 1.00 . A A . 15 PHE HE1 1 1 13 6417 1 1 16 PHE HE2 H 0.153 -5.255 -10.267 1.00 . A A . 15 PHE HE2 1 1 13 6418 1 1 16 PHE HZ H 1.606 -6.514 -8.699 1.00 . A A . 15 PHE HZ 1 1 13 6419 1 1 16 PHE N N 2.799 -0.104 -11.449 1.00 . A A . 15 PHE N 1 1 13 6420 1 1 16 PHE O O 5.552 0.190 -11.591 1.00 . A A . 15 PHE O 1 1 13 6421 1 1 17 ARG C C 8.081 -1.126 -10.817 1.00 . A A . 16 ARG C 1 1 13 6422 1 1 17 ARG CA C 7.279 -0.639 -9.643 1.00 . A A . 16 ARG CA 1 1 13 6423 1 1 17 ARG CB C 7.941 -1.147 -8.339 1.00 . A A . 16 ARG CB 1 1 13 6424 1 1 17 ARG CD C 9.323 0.941 -7.747 1.00 . A A . 16 ARG CD 1 1 13 6425 1 1 17 ARG CG C 8.200 -0.029 -7.302 1.00 . A A . 16 ARG CG 1 1 13 6426 1 1 17 ARG CZ C 11.135 0.362 -6.195 1.00 . A A . 16 ARG CZ 1 1 13 6427 1 1 17 ARG H H 5.470 -1.664 -9.075 1.00 . A A . 16 ARG H 1 1 13 6428 1 1 17 ARG HA H 7.376 0.443 -9.698 1.00 . A A . 16 ARG HA 1 1 13 6429 1 1 17 ARG HB2 H 7.276 -1.853 -7.850 1.00 . A A . 16 ARG HB2 1 1 13 6430 1 1 17 ARG HB3 H 8.855 -1.703 -8.583 1.00 . A A . 16 ARG HB3 1 1 13 6431 1 1 17 ARG HD2 H 9.876 0.584 -8.630 1.00 . A A . 16 ARG HD2 1 1 13 6432 1 1 17 ARG HD3 H 8.850 1.892 -8.043 1.00 . A A . 16 ARG HD3 1 1 13 6433 1 1 17 ARG HE H 10.129 2.122 -6.167 1.00 . A A . 16 ARG HE 1 1 13 6434 1 1 17 ARG HG2 H 7.264 0.520 -7.106 1.00 . A A . 16 ARG HG2 1 1 13 6435 1 1 17 ARG HG3 H 8.508 -0.498 -6.356 1.00 . A A . 16 ARG HG3 1 1 13 6436 1 1 17 ARG HH11 H 10.767 -1.171 -7.489 1.00 . A A . 16 ARG HH11 1 1 13 6437 1 1 17 ARG HH12 H 12.040 -1.464 -6.329 1.00 . A A . 16 ARG HH12 1 1 13 6438 1 1 17 ARG HH21 H 11.801 1.643 -4.749 1.00 . A A . 16 ARG HH21 1 1 13 6439 1 1 17 ARG HH22 H 12.624 0.088 -4.826 1.00 . A A . 16 ARG HH22 1 1 13 6440 1 1 17 ARG N N 5.872 -1.035 -9.745 1.00 . A A . 16 ARG N 1 1 13 6441 1 1 17 ARG NE N 10.226 1.207 -6.628 1.00 . A A . 16 ARG NE 1 1 13 6442 1 1 17 ARG NH1 N 11.324 -0.828 -6.706 1.00 . A A . 16 ARG NH1 1 1 13 6443 1 1 17 ARG NH2 N 11.899 0.721 -5.195 1.00 . A A . 16 ARG NH2 1 1 13 6444 1 1 17 ARG O O 9.051 -0.493 -11.201 1.00 . A A . 16 ARG O 1 1 13 6445 1 1 18 LYS C C 8.209 -1.831 -13.729 1.00 . A A . 17 LYS C 1 1 13 6446 1 1 18 LYS CA C 8.364 -2.777 -12.558 1.00 . A A . 17 LYS CA 1 1 13 6447 1 1 18 LYS CB C 7.735 -4.141 -12.946 1.00 . A A . 17 LYS CB 1 1 13 6448 1 1 18 LYS CD C 8.130 -6.339 -14.134 1.00 . A A . 17 LYS CD 1 1 13 6449 1 1 18 LYS CE C 9.206 -7.329 -14.656 1.00 . A A . 17 LYS CE 1 1 13 6450 1 1 18 LYS CG C 8.806 -5.089 -13.524 1.00 . A A . 17 LYS CG 1 1 13 6451 1 1 18 LYS H H 6.891 -2.758 -11.014 1.00 . A A . 17 LYS H 1 1 13 6452 1 1 18 LYS HA H 9.429 -2.897 -12.303 1.00 . A A . 17 LYS HA 1 1 13 6453 1 1 18 LYS HB2 H 7.321 -4.674 -12.076 1.00 . A A . 17 LYS HB2 1 1 13 6454 1 1 18 LYS HB3 H 6.918 -3.965 -13.663 1.00 . A A . 17 LYS HB3 1 1 13 6455 1 1 18 LYS HD2 H 7.497 -6.835 -13.381 1.00 . A A . 17 LYS HD2 1 1 13 6456 1 1 18 LYS HD3 H 7.476 -5.998 -14.951 1.00 . A A . 17 LYS HD3 1 1 13 6457 1 1 18 LYS HE2 H 10.199 -6.850 -14.637 1.00 . A A . 17 LYS HE2 1 1 13 6458 1 1 18 LYS HE3 H 9.249 -8.204 -13.987 1.00 . A A . 17 LYS HE3 1 1 13 6459 1 1 18 LYS HG2 H 9.385 -4.563 -14.298 1.00 . A A . 17 LYS HG2 1 1 13 6460 1 1 18 LYS HG3 H 9.483 -5.395 -12.709 1.00 . A A . 17 LYS HG3 1 1 13 6461 1 1 18 LYS HZ1 H 8.149 -8.506 -16.067 1.00 . A A . 17 LYS HZ1 1 1 13 6462 1 1 18 LYS HZ2 H 9.833 -8.223 -16.456 1.00 . A A . 17 LYS HZ2 1 1 13 6463 1 1 18 LYS HZ3 H 8.688 -6.956 -16.702 1.00 . A A . 17 LYS HZ3 1 1 13 6464 1 1 18 LYS N N 7.671 -2.268 -11.388 1.00 . A A . 17 LYS N 1 1 13 6465 1 1 18 LYS NZ N 8.942 -7.771 -16.040 1.00 . A A . 17 LYS NZ 1 1 13 6466 1 1 18 LYS O O 9.045 -1.840 -14.618 1.00 . A A . 17 LYS O 1 1 13 6467 1 1 19 ARG C C 8.112 0.773 -15.072 1.00 . A A . 18 ARG C 1 1 13 6468 1 1 19 ARG CA C 6.912 -0.137 -14.894 1.00 . A A . 18 ARG CA 1 1 13 6469 1 1 19 ARG CB C 5.670 0.793 -14.728 1.00 . A A . 18 ARG CB 1 1 13 6470 1 1 19 ARG CD C 3.736 -0.313 -15.963 1.00 . A A . 18 ARG CD 1 1 13 6471 1 1 19 ARG CG C 4.744 0.869 -15.969 1.00 . A A . 18 ARG CG 1 1 13 6472 1 1 19 ARG CZ C 3.031 -2.139 -17.417 1.00 . A A . 18 ARG CZ 1 1 13 6473 1 1 19 ARG H H 6.459 -1.018 -13.019 1.00 . A A . 18 ARG H 1 1 13 6474 1 1 19 ARG HA H 6.781 -0.785 -15.775 1.00 . A A . 18 ARG HA 1 1 13 6475 1 1 19 ARG HB2 H 5.025 0.529 -13.882 1.00 . A A . 18 ARG HB2 1 1 13 6476 1 1 19 ARG HB3 H 6.061 1.790 -14.519 1.00 . A A . 18 ARG HB3 1 1 13 6477 1 1 19 ARG HD2 H 4.135 -1.073 -15.277 1.00 . A A . 18 ARG HD2 1 1 13 6478 1 1 19 ARG HD3 H 2.759 0.042 -15.594 1.00 . A A . 18 ARG HD3 1 1 13 6479 1 1 19 ARG HE H 3.971 -0.469 -18.084 1.00 . A A . 18 ARG HE 1 1 13 6480 1 1 19 ARG HG2 H 4.177 1.814 -15.934 1.00 . A A . 18 ARG HG2 1 1 13 6481 1 1 19 ARG HG3 H 5.361 0.888 -16.877 1.00 . A A . 18 ARG HG3 1 1 13 6482 1 1 19 ARG HH11 H 2.358 -2.411 -15.501 1.00 . A A . 18 ARG HH11 1 1 13 6483 1 1 19 ARG HH12 H 2.051 -3.735 -16.610 1.00 . A A . 18 ARG HH12 1 1 13 6484 1 1 19 ARG HH21 H 3.555 -2.233 -19.386 1.00 . A A . 18 ARG HH21 1 1 13 6485 1 1 19 ARG HH22 H 2.632 -3.605 -18.781 1.00 . A A . 18 ARG HH22 1 1 13 6486 1 1 19 ARG N N 7.129 -1.019 -13.756 1.00 . A A . 18 ARG N 1 1 13 6487 1 1 19 ARG NE N 3.582 -0.957 -17.264 1.00 . A A . 18 ARG NE 1 1 13 6488 1 1 19 ARG NH1 N 2.451 -2.801 -16.446 1.00 . A A . 18 ARG NH1 1 1 13 6489 1 1 19 ARG NH2 N 3.067 -2.689 -18.603 1.00 . A A . 18 ARG NH2 1 1 13 6490 1 1 19 ARG O O 8.823 1.023 -14.112 1.00 . A A . 18 ARG O 1 1 13 6491 1 1 20 LEU C C 8.759 3.633 -16.904 1.00 . A A . 19 LEU C 1 1 13 6492 1 1 20 LEU CA C 9.341 2.279 -16.576 1.00 . A A . 19 LEU CA 1 1 13 6493 1 1 20 LEU CB C 10.224 1.840 -17.773 1.00 . A A . 19 LEU CB 1 1 13 6494 1 1 20 LEU CD1 C 10.098 2.114 -20.316 1.00 . A A . 19 LEU CD1 1 1 13 6495 1 1 20 LEU CD2 C 9.207 0.000 -19.244 1.00 . A A . 19 LEU CD2 1 1 13 6496 1 1 20 LEU CG C 9.405 1.529 -19.061 1.00 . A A . 19 LEU CG 1 1 13 6497 1 1 20 LEU H H 7.699 1.015 -17.042 1.00 . A A . 19 LEU H 1 1 13 6498 1 1 20 LEU HA H 10.001 2.426 -15.707 1.00 . A A . 19 LEU HA 1 1 13 6499 1 1 20 LEU HB2 H 10.945 2.650 -17.969 1.00 . A A . 19 LEU HB2 1 1 13 6500 1 1 20 LEU HB3 H 10.800 0.952 -17.473 1.00 . A A . 19 LEU HB3 1 1 13 6501 1 1 20 LEU HD11 H 10.159 3.210 -20.241 1.00 . A A . 19 LEU HD11 1 1 13 6502 1 1 20 LEU HD12 H 9.520 1.858 -21.217 1.00 . A A . 19 LEU HD12 1 1 13 6503 1 1 20 LEU HD13 H 11.116 1.709 -20.414 1.00 . A A . 19 LEU HD13 1 1 13 6504 1 1 20 LEU HD21 H 8.842 -0.488 -18.329 1.00 . A A . 19 LEU HD21 1 1 13 6505 1 1 20 LEU HD22 H 10.164 -0.469 -19.516 1.00 . A A . 19 LEU HD22 1 1 13 6506 1 1 20 LEU HD23 H 8.479 -0.187 -20.047 1.00 . A A . 19 LEU HD23 1 1 13 6507 1 1 20 LEU HG H 8.419 2.015 -19.016 1.00 . A A . 19 LEU HG 1 1 13 6508 1 1 20 LEU N N 8.302 1.288 -16.303 1.00 . A A . 19 LEU N 1 1 13 6509 1 1 20 LEU O O 9.528 4.571 -17.028 1.00 . A A . 19 LEU O 1 1 13 6510 1 1 21 LYS C C 5.403 5.039 -17.258 1.00 . A A . 20 LYS C 1 1 13 6511 1 1 21 LYS CA C 6.899 5.093 -17.383 1.00 . A A . 20 LYS CA 1 1 13 6512 1 1 21 LYS CB C 7.282 5.608 -18.790 1.00 . A A . 20 LYS CB 1 1 13 6513 1 1 21 LYS CD C 6.000 5.022 -20.955 1.00 . A A . 20 LYS CD 1 1 13 6514 1 1 21 LYS CE C 5.551 3.821 -21.825 1.00 . A A . 20 LYS CE 1 1 13 6515 1 1 21 LYS CG C 6.985 4.534 -19.868 1.00 . A A . 20 LYS CG 1 1 13 6516 1 1 21 LYS H H 6.752 3.061 -16.955 1.00 . A A . 20 LYS H 1 1 13 6517 1 1 21 LYS HA H 7.279 5.766 -16.611 1.00 . A A . 20 LYS HA 1 1 13 6518 1 1 21 LYS HB2 H 6.709 6.523 -18.979 1.00 . A A . 20 LYS HB2 1 1 13 6519 1 1 21 LYS HB3 H 8.348 5.881 -18.819 1.00 . A A . 20 LYS HB3 1 1 13 6520 1 1 21 LYS HD2 H 5.107 5.473 -20.496 1.00 . A A . 20 LYS HD2 1 1 13 6521 1 1 21 LYS HD3 H 6.508 5.783 -21.568 1.00 . A A . 20 LYS HD3 1 1 13 6522 1 1 21 LYS HE2 H 6.380 3.105 -21.954 1.00 . A A . 20 LYS HE2 1 1 13 6523 1 1 21 LYS HE3 H 4.726 3.300 -21.312 1.00 . A A . 20 LYS HE3 1 1 13 6524 1 1 21 LYS HG2 H 7.928 4.256 -20.361 1.00 . A A . 20 LYS HG2 1 1 13 6525 1 1 21 LYS HG3 H 6.554 3.631 -19.416 1.00 . A A . 20 LYS HG3 1 1 13 6526 1 1 21 LYS HZ1 H 5.964 4.618 -23.734 1.00 . A A . 20 LYS HZ1 1 1 13 6527 1 1 21 LYS HZ2 H 4.387 5.056 -23.092 1.00 . A A . 20 LYS HZ2 1 1 13 6528 1 1 21 LYS HZ3 H 4.678 3.438 -23.708 1.00 . A A . 20 LYS HZ3 1 1 13 6529 1 1 21 LYS N N 7.428 3.784 -17.067 1.00 . A A . 20 LYS N 1 1 13 6530 1 1 21 LYS NZ N 5.117 4.262 -23.164 1.00 . A A . 20 LYS NZ 1 1 13 6531 1 1 21 LYS O O 4.835 3.971 -17.422 1.00 . A A . 20 LYS O 1 1 13 6532 1 1 22 CYS C C 2.589 5.656 -17.884 1.00 . A A . 21 CYS C 1 1 13 6533 1 1 22 CYS CA C 3.344 6.137 -16.670 1.00 . A A . 21 CYS CA 1 1 13 6534 1 1 22 CYS CB C 2.899 7.546 -16.226 1.00 . A A . 21 CYS CB 1 1 13 6535 1 1 22 CYS H H 5.252 7.048 -16.843 1.00 . A A . 21 CYS H 1 1 13 6536 1 1 22 CYS HA H 3.166 5.439 -15.838 1.00 . A A . 21 CYS HA 1 1 13 6537 1 1 22 CYS HB2 H 3.499 7.923 -15.385 1.00 . A A . 21 CYS HB2 1 1 13 6538 1 1 22 CYS HB3 H 2.939 8.265 -17.055 1.00 . A A . 21 CYS HB3 1 1 13 6539 1 1 22 CYS N N 4.766 6.176 -16.942 1.00 . A A . 21 CYS N 1 1 13 6540 1 1 22 CYS O O 2.867 6.141 -18.968 1.00 . A A . 21 CYS O 1 1 13 6541 1 1 22 CYS SG S 1.222 7.391 -15.610 1.00 . A A . 21 CYS SG 1 1 13 6542 1 1 23 PHE C C -0.349 5.050 -19.144 1.00 . A A . 22 PHE C 1 1 13 6543 1 1 23 PHE CA C 0.892 4.215 -18.887 1.00 . A A . 22 PHE CA 1 1 13 6544 1 1 23 PHE CB C 0.504 2.726 -18.665 1.00 . A A . 22 PHE CB 1 1 13 6545 1 1 23 PHE CD1 C 0.455 2.263 -21.195 1.00 . A A . 22 PHE CD1 1 1 13 6546 1 1 23 PHE CD2 C 1.275 0.551 -19.714 1.00 . A A . 22 PHE CD2 1 1 13 6547 1 1 23 PHE CE1 C 0.711 1.444 -22.295 1.00 . A A . 22 PHE CE1 1 1 13 6548 1 1 23 PHE CE2 C 1.498 -0.282 -20.812 1.00 . A A . 22 PHE CE2 1 1 13 6549 1 1 23 PHE CG C 0.748 1.834 -19.895 1.00 . A A . 22 PHE CG 1 1 13 6550 1 1 23 PHE CZ C 1.245 0.171 -22.106 1.00 . A A . 22 PHE CZ 1 1 13 6551 1 1 23 PHE H H 1.369 4.386 -16.817 1.00 . A A . 22 PHE H 1 1 13 6552 1 1 23 PHE HA H 1.552 4.265 -19.766 1.00 . A A . 22 PHE HA 1 1 13 6553 1 1 23 PHE HB2 H 1.121 2.326 -17.847 1.00 . A A . 22 PHE HB2 1 1 13 6554 1 1 23 PHE HB3 H -0.548 2.644 -18.356 1.00 . A A . 22 PHE HB3 1 1 13 6555 1 1 23 PHE HD1 H 0.024 3.235 -21.383 1.00 . A A . 22 PHE HD1 1 1 13 6556 1 1 23 PHE HD2 H 1.511 0.186 -18.720 1.00 . A A . 22 PHE HD2 1 1 13 6557 1 1 23 PHE HE1 H 0.489 1.798 -23.296 1.00 . A A . 22 PHE HE1 1 1 13 6558 1 1 23 PHE HE2 H 1.862 -1.289 -20.671 1.00 . A A . 22 PHE HE2 1 1 13 6559 1 1 23 PHE HZ H 1.460 -0.464 -22.959 1.00 . A A . 22 PHE HZ 1 1 13 6560 1 1 23 PHE N N 1.631 4.712 -17.727 1.00 . A A . 22 PHE N 1 1 13 6561 1 1 23 PHE O O -1.184 4.653 -19.939 1.00 . A A . 22 PHE O 1 1 13 6562 1 1 24 ARG C C -1.202 8.368 -19.299 1.00 . A A . 23 ARG C 1 1 13 6563 1 1 24 ARG CA C -1.655 7.075 -18.677 1.00 . A A . 23 ARG CA 1 1 13 6564 1 1 24 ARG CB C -2.364 7.300 -17.320 1.00 . A A . 23 ARG CB 1 1 13 6565 1 1 24 ARG CD C -4.778 8.033 -16.659 1.00 . A A . 23 ARG CD 1 1 13 6566 1 1 24 ARG CG C -3.475 8.376 -17.437 1.00 . A A . 23 ARG CG 1 1 13 6567 1 1 24 ARG CZ C -5.851 8.651 -14.543 1.00 . A A . 23 ARG CZ 1 1 13 6568 1 1 24 ARG H H 0.169 6.509 -17.813 1.00 . A A . 23 ARG H 1 1 13 6569 1 1 24 ARG HA H -2.391 6.619 -19.358 1.00 . A A . 23 ARG HA 1 1 13 6570 1 1 24 ARG HB2 H -2.782 6.317 -17.072 1.00 . A A . 23 ARG HB2 1 1 13 6571 1 1 24 ARG HB3 H -1.650 7.596 -16.536 1.00 . A A . 23 ARG HB3 1 1 13 6572 1 1 24 ARG HD2 H -5.582 8.532 -17.217 1.00 . A A . 23 ARG HD2 1 1 13 6573 1 1 24 ARG HD3 H -4.964 6.948 -16.664 1.00 . A A . 23 ARG HD3 1 1 13 6574 1 1 24 ARG HE H -3.897 8.940 -14.960 1.00 . A A . 23 ARG HE 1 1 13 6575 1 1 24 ARG HG2 H -3.071 9.356 -17.133 1.00 . A A . 23 ARG HG2 1 1 13 6576 1 1 24 ARG HG3 H -3.763 8.456 -18.494 1.00 . A A . 23 ARG HG3 1 1 13 6577 1 1 24 ARG HH11 H -7.144 7.689 -15.801 1.00 . A A . 23 ARG HH11 1 1 13 6578 1 1 24 ARG HH12 H -7.842 8.275 -14.302 1.00 . A A . 23 ARG HH12 1 1 13 6579 1 1 24 ARG HH21 H -4.860 9.616 -13.032 1.00 . A A . 23 ARG HH21 1 1 13 6580 1 1 24 ARG HH22 H -6.575 9.315 -12.752 1.00 . A A . 23 ARG HH22 1 1 13 6581 1 1 24 ARG N N -0.502 6.209 -18.473 1.00 . A A . 23 ARG N 1 1 13 6582 1 1 24 ARG NE N -4.784 8.567 -15.302 1.00 . A A . 23 ARG NE 1 1 13 6583 1 1 24 ARG NH1 N -7.017 8.180 -14.909 1.00 . A A . 23 ARG NH1 1 1 13 6584 1 1 24 ARG NH2 N -5.756 9.227 -13.370 1.00 . A A . 23 ARG NH2 1 1 13 6585 1 1 24 ARG O O -1.721 8.715 -20.347 1.00 . A A . 23 ARG O 1 1 13 6586 1 1 25 CYS C C 1.578 10.083 -19.987 1.00 . A A . 24 CYS C 1 1 13 6587 1 1 25 CYS CA C 0.251 10.311 -19.294 1.00 . A A . 24 CYS CA 1 1 13 6588 1 1 25 CYS CB C 0.327 11.395 -18.194 1.00 . A A . 24 CYS CB 1 1 13 6589 1 1 25 CYS H H 0.152 8.813 -17.811 1.00 . A A . 24 CYS H 1 1 13 6590 1 1 25 CYS HA H -0.461 10.709 -20.031 1.00 . A A . 24 CYS HA 1 1 13 6591 1 1 25 CYS HB2 H 0.462 12.402 -18.615 1.00 . A A . 24 CYS HB2 1 1 13 6592 1 1 25 CYS HB3 H -0.582 11.372 -17.577 1.00 . A A . 24 CYS HB3 1 1 13 6593 1 1 25 CYS N N -0.247 9.090 -18.679 1.00 . A A . 24 CYS N 1 1 13 6594 1 1 25 CYS O O 2.010 10.992 -20.677 1.00 . A A . 24 CYS O 1 1 13 6595 1 1 25 CYS SG S 1.731 11.063 -17.126 1.00 . A A . 24 CYS SG 1 1 13 6596 1 1 26 GLY C C 4.725 9.191 -19.636 1.00 . A A . 25 GLY C 1 1 13 6597 1 1 26 GLY CA C 3.564 8.744 -20.495 1.00 . A A . 25 GLY CA 1 1 13 6598 1 1 26 GLY H H 1.948 8.161 -19.278 1.00 . A A . 25 GLY H 1 1 13 6599 1 1 26 GLY HA2 H 3.704 7.682 -20.743 1.00 . A A . 25 GLY HA2 1 1 13 6600 1 1 26 GLY HA3 H 3.607 9.297 -21.445 1.00 . A A . 25 GLY HA3 1 1 13 6601 1 1 26 GLY N N 2.268 8.923 -19.840 1.00 . A A . 25 GLY N 1 1 13 6602 1 1 26 GLY O O 5.797 8.621 -19.745 1.00 . A A . 25 GLY O 1 1 13 6603 1 1 27 ALA C C 6.233 9.688 -17.104 1.00 . A A . 26 ALA C 1 1 13 6604 1 1 27 ALA CA C 5.659 10.749 -18.006 1.00 . A A . 26 ALA CA 1 1 13 6605 1 1 27 ALA CB C 5.237 11.950 -17.118 1.00 . A A . 26 ALA CB 1 1 13 6606 1 1 27 ALA H H 3.685 10.710 -18.772 1.00 . A A . 26 ALA H 1 1 13 6607 1 1 27 ALA HA H 6.425 11.093 -18.719 1.00 . A A . 26 ALA HA 1 1 13 6608 1 1 27 ALA HB1 H 4.797 11.590 -16.174 1.00 . A A . 26 ALA HB1 1 1 13 6609 1 1 27 ALA HB2 H 6.120 12.563 -16.885 1.00 . A A . 26 ALA HB2 1 1 13 6610 1 1 27 ALA HB3 H 4.499 12.588 -17.629 1.00 . A A . 26 ALA HB3 1 1 13 6611 1 1 27 ALA N N 4.552 10.232 -18.800 1.00 . A A . 26 ALA N 1 1 13 6612 1 1 27 ALA O O 5.503 8.792 -16.714 1.00 . A A . 26 ALA O 1 1 13 6613 1 1 28 ASP C C 8.086 9.190 -14.450 1.00 . A A . 27 ASP C 1 1 13 6614 1 1 28 ASP CA C 8.124 8.763 -15.894 1.00 . A A . 27 ASP CA 1 1 13 6615 1 1 28 ASP CB C 9.565 8.415 -16.336 1.00 . A A . 27 ASP CB 1 1 13 6616 1 1 28 ASP CG C 10.187 7.427 -15.389 1.00 . A A . 27 ASP CG 1 1 13 6617 1 1 28 ASP H H 8.113 10.527 -17.068 1.00 . A A . 27 ASP H 1 1 13 6618 1 1 28 ASP HA H 7.536 7.848 -15.965 1.00 . A A . 27 ASP HA 1 1 13 6619 1 1 28 ASP HB2 H 9.549 7.990 -17.351 1.00 . A A . 27 ASP HB2 1 1 13 6620 1 1 28 ASP HB3 H 10.171 9.334 -16.340 1.00 . A A . 27 ASP HB3 1 1 13 6621 1 1 28 ASP N N 7.536 9.772 -16.761 1.00 . A A . 27 ASP N 1 1 13 6622 1 1 28 ASP O O 8.070 10.378 -14.170 1.00 . A A . 27 ASP O 1 1 13 6623 1 1 28 ASP OD1 O 9.473 6.494 -14.929 1.00 . A A . 27 ASP OD1 1 1 13 6624 1 1 28 ASP OD2 O 11.384 7.617 -15.044 1.00 . A A . 27 ASP OD2 1 1 13 6625 1 1 29 LYS C C 9.347 9.403 -11.752 1.00 . A A . 28 LYS C 1 1 13 6626 1 1 29 LYS CA C 8.143 8.562 -12.100 1.00 . A A . 28 LYS CA 1 1 13 6627 1 1 29 LYS CB C 8.176 7.283 -11.230 1.00 . A A . 28 LYS CB 1 1 13 6628 1 1 29 LYS CD C 10.159 5.850 -10.417 1.00 . A A . 28 LYS CD 1 1 13 6629 1 1 29 LYS CE C 9.334 4.970 -9.442 1.00 . A A . 28 LYS CE 1 1 13 6630 1 1 29 LYS CG C 9.301 6.280 -11.629 1.00 . A A . 28 LYS CG 1 1 13 6631 1 1 29 LYS H H 8.097 7.252 -13.783 1.00 . A A . 28 LYS H 1 1 13 6632 1 1 29 LYS HA H 7.237 9.136 -11.841 1.00 . A A . 28 LYS HA 1 1 13 6633 1 1 29 LYS HB2 H 8.261 7.603 -10.179 1.00 . A A . 28 LYS HB2 1 1 13 6634 1 1 29 LYS HB3 H 7.209 6.778 -11.347 1.00 . A A . 28 LYS HB3 1 1 13 6635 1 1 29 LYS HD2 H 11.036 5.281 -10.762 1.00 . A A . 28 LYS HD2 1 1 13 6636 1 1 29 LYS HD3 H 10.524 6.776 -9.945 1.00 . A A . 28 LYS HD3 1 1 13 6637 1 1 29 LYS HE2 H 8.288 5.304 -9.441 1.00 . A A . 28 LYS HE2 1 1 13 6638 1 1 29 LYS HE3 H 9.348 3.927 -9.798 1.00 . A A . 28 LYS HE3 1 1 13 6639 1 1 29 LYS HG2 H 8.861 5.387 -12.105 1.00 . A A . 28 LYS HG2 1 1 13 6640 1 1 29 LYS HG3 H 9.998 6.736 -12.341 1.00 . A A . 28 LYS HG3 1 1 13 6641 1 1 29 LYS HZ1 H 10.635 4.332 -7.893 1.00 . A A . 28 LYS HZ1 1 1 13 6642 1 1 29 LYS HZ2 H 9.038 4.835 -7.357 1.00 . A A . 28 LYS HZ2 1 1 13 6643 1 1 29 LYS HZ3 H 10.205 6.021 -7.784 1.00 . A A . 28 LYS HZ3 1 1 13 6644 1 1 29 LYS N N 8.090 8.219 -13.515 1.00 . A A . 28 LYS N 1 1 13 6645 1 1 29 LYS NZ N 9.837 5.042 -8.053 1.00 . A A . 28 LYS NZ 1 1 13 6646 1 1 29 LYS O O 9.295 10.090 -10.744 1.00 . A A . 28 LYS O 1 1 13 6647 1 1 30 PHE C C 11.608 11.372 -13.252 1.00 . A A . 29 PHE C 1 1 13 6648 1 1 30 PHE CA C 11.601 10.185 -12.314 1.00 . A A . 29 PHE CA 1 1 13 6649 1 1 30 PHE CB C 12.874 9.299 -12.474 1.00 . A A . 29 PHE CB 1 1 13 6650 1 1 30 PHE CD1 C 14.097 10.398 -10.536 1.00 . A A . 29 PHE CD1 1 1 13 6651 1 1 30 PHE CD2 C 14.065 7.986 -10.648 1.00 . A A . 29 PHE CD2 1 1 13 6652 1 1 30 PHE CE1 C 14.818 10.334 -9.342 1.00 . A A . 29 PHE CE1 1 1 13 6653 1 1 30 PHE CE2 C 14.817 7.921 -9.473 1.00 . A A . 29 PHE CE2 1 1 13 6654 1 1 30 PHE CG C 13.698 9.225 -11.184 1.00 . A A . 29 PHE CG 1 1 13 6655 1 1 30 PHE CZ C 15.188 9.095 -8.815 1.00 . A A . 29 PHE CZ 1 1 13 6656 1 1 30 PHE H H 10.447 8.819 -13.394 1.00 . A A . 29 PHE H 1 1 13 6657 1 1 30 PHE HA H 11.568 10.593 -11.296 1.00 . A A . 29 PHE HA 1 1 13 6658 1 1 30 PHE HB2 H 12.581 8.275 -12.745 1.00 . A A . 29 PHE HB2 1 1 13 6659 1 1 30 PHE HB3 H 13.527 9.668 -13.280 1.00 . A A . 29 PHE HB3 1 1 13 6660 1 1 30 PHE HD1 H 13.852 11.368 -10.957 1.00 . A A . 29 PHE HD1 1 1 13 6661 1 1 30 PHE HD2 H 13.775 7.061 -11.136 1.00 . A A . 29 PHE HD2 1 1 13 6662 1 1 30 PHE HE1 H 15.090 11.247 -8.826 1.00 . A A . 29 PHE HE1 1 1 13 6663 1 1 30 PHE HE2 H 15.113 6.957 -9.073 1.00 . A A . 29 PHE HE2 1 1 13 6664 1 1 30 PHE HZ H 15.764 9.045 -7.898 1.00 . A A . 29 PHE HZ 1 1 13 6665 1 1 30 PHE N N 10.426 9.364 -12.564 1.00 . A A . 29 PHE N 1 1 13 6666 1 1 30 PHE O O 12.650 11.989 -13.403 1.00 . A A . 29 PHE O 1 1 13 6667 1 1 31 ASP C C 9.043 13.446 -14.900 1.00 . A A . 30 ASP C 1 1 13 6668 1 1 31 ASP CA C 10.447 12.882 -14.777 1.00 . A A . 30 ASP CA 1 1 13 6669 1 1 31 ASP CB C 10.987 12.425 -16.156 1.00 . A A . 30 ASP CB 1 1 13 6670 1 1 31 ASP CG C 11.754 13.520 -16.848 1.00 . A A . 30 ASP CG 1 1 13 6671 1 1 31 ASP H H 9.626 11.191 -13.823 1.00 . A A . 30 ASP H 1 1 13 6672 1 1 31 ASP HA H 11.093 13.676 -14.369 1.00 . A A . 30 ASP HA 1 1 13 6673 1 1 31 ASP HB2 H 11.674 11.577 -16.010 1.00 . A A . 30 ASP HB2 1 1 13 6674 1 1 31 ASP HB3 H 10.163 12.075 -16.796 1.00 . A A . 30 ASP HB3 1 1 13 6675 1 1 31 ASP N N 10.466 11.726 -13.889 1.00 . A A . 30 ASP N 1 1 13 6676 1 1 31 ASP O O 8.689 13.970 -15.944 1.00 . A A . 30 ASP O 1 1 13 6677 1 1 31 ASP OD1 O 11.152 14.577 -17.175 1.00 . A A . 30 ASP OD1 1 1 13 6678 1 1 31 ASP OD2 O 12.980 13.330 -17.078 1.00 . A A . 30 ASP OD2 1 1 13 6679 1 1 32 NH2 HN1 H 8.427 12.972 -12.982 1.00 . A A . 31 NH2 HN1 1 1 13 6680 1 1 32 NH2 HN2 H 7.250 13.707 -14.002 1.00 . A A . 31 NH2 HN2 1 1 13 6681 1 1 32 NH2 N N 8.180 13.367 -13.865 1.00 . A A . 31 NH2 N 1 1 13 6682 2 2 1 ZN ZN ZN 1.058 9.751 -15.264 1.00 . B A . 32 ZN ZN 1 1 14 6683 1 1 1 ACE C C -1.293 -4.763 -2.041 1.00 . A A . 0 ACE C 1 1 14 6684 1 1 1 ACE CH3 C -2.614 -4.616 -1.341 1.00 . A A . 0 ACE CH3 1 1 14 6685 1 1 1 ACE H1 H -3.419 -4.570 -2.091 1.00 . A A . 0 ACE H1 1 1 14 6686 1 1 1 ACE H2 H -2.621 -3.692 -0.743 1.00 . A A . 0 ACE H2 1 1 14 6687 1 1 1 ACE H3 H -2.793 -5.477 -0.679 1.00 . A A . 0 ACE H3 1 1 14 6688 1 1 1 ACE O O -0.617 -5.758 -1.832 1.00 . A A . 0 ACE O 1 1 14 6689 1 1 2 LYS C C 1.325 -2.980 -3.012 1.00 . A A . 1 LYS C 1 1 14 6690 1 1 2 LYS CA C 0.296 -3.873 -3.658 1.00 . A A . 1 LYS CA 1 1 14 6691 1 1 2 LYS CB C -0.023 -3.487 -5.127 1.00 . A A . 1 LYS CB 1 1 14 6692 1 1 2 LYS CD C 0.343 -4.150 -7.584 1.00 . A A . 1 LYS CD 1 1 14 6693 1 1 2 LYS CE C -1.067 -4.755 -7.839 1.00 . A A . 1 LYS CE 1 1 14 6694 1 1 2 LYS CG C 0.808 -4.338 -6.120 1.00 . A A . 1 LYS CG 1 1 14 6695 1 1 2 LYS H H -1.484 -2.943 -2.982 1.00 . A A . 1 LYS H 1 1 14 6696 1 1 2 LYS HA H 0.651 -4.913 -3.659 1.00 . A A . 1 LYS HA 1 1 14 6697 1 1 2 LYS HB2 H -1.095 -3.653 -5.295 1.00 . A A . 1 LYS HB2 1 1 14 6698 1 1 2 LYS HB3 H 0.175 -2.424 -5.316 1.00 . A A . 1 LYS HB3 1 1 14 6699 1 1 2 LYS HD2 H 0.358 -3.077 -7.834 1.00 . A A . 1 LYS HD2 1 1 14 6700 1 1 2 LYS HD3 H 1.059 -4.664 -8.240 1.00 . A A . 1 LYS HD3 1 1 14 6701 1 1 2 LYS HE2 H -1.496 -5.189 -6.923 1.00 . A A . 1 LYS HE2 1 1 14 6702 1 1 2 LYS HE3 H -1.744 -3.960 -8.193 1.00 . A A . 1 LYS HE3 1 1 14 6703 1 1 2 LYS HG2 H 1.848 -4.008 -5.993 1.00 . A A . 1 LYS HG2 1 1 14 6704 1 1 2 LYS HG3 H 0.751 -5.417 -5.901 1.00 . A A . 1 LYS HG3 1 1 14 6705 1 1 2 LYS HZ1 H -0.336 -6.625 -8.531 1.00 . A A . 1 LYS HZ1 1 1 14 6706 1 1 2 LYS HZ2 H -0.764 -5.485 -9.809 1.00 . A A . 1 LYS HZ2 1 1 14 6707 1 1 2 LYS HZ3 H -2.006 -6.313 -8.897 1.00 . A A . 1 LYS HZ3 1 1 14 6708 1 1 2 LYS N N -0.931 -3.771 -2.881 1.00 . A A . 1 LYS N 1 1 14 6709 1 1 2 LYS NZ N -1.032 -5.851 -8.828 1.00 . A A . 1 LYS NZ 1 1 14 6710 1 1 2 LYS O O 1.270 -1.776 -3.194 1.00 . A A . 1 LYS O 1 1 14 6711 1 1 3 PHE C C 4.476 -2.585 -2.476 1.00 . A A . 2 PHE C 1 1 14 6712 1 1 3 PHE CA C 3.271 -2.703 -1.577 1.00 . A A . 2 PHE CA 1 1 14 6713 1 1 3 PHE CB C 3.657 -3.329 -0.211 1.00 . A A . 2 PHE CB 1 1 14 6714 1 1 3 PHE CD1 C 1.544 -4.465 0.666 1.00 . A A . 2 PHE CD1 1 1 14 6715 1 1 3 PHE CD2 C 2.230 -2.381 1.664 1.00 . A A . 2 PHE CD2 1 1 14 6716 1 1 3 PHE CE1 C 0.431 -4.505 1.507 1.00 . A A . 2 PHE CE1 1 1 14 6717 1 1 3 PHE CE2 C 1.143 -2.443 2.541 1.00 . A A . 2 PHE CE2 1 1 14 6718 1 1 3 PHE CG C 2.443 -3.395 0.725 1.00 . A A . 2 PHE CG 1 1 14 6719 1 1 3 PHE CZ C 0.238 -3.502 2.458 1.00 . A A . 2 PHE CZ 1 1 14 6720 1 1 3 PHE H H 2.367 -4.530 -2.157 1.00 . A A . 2 PHE H 1 1 14 6721 1 1 3 PHE HA H 2.886 -1.691 -1.373 1.00 . A A . 2 PHE HA 1 1 14 6722 1 1 3 PHE HB2 H 4.060 -4.342 -0.360 1.00 . A A . 2 PHE HB2 1 1 14 6723 1 1 3 PHE HB3 H 4.443 -2.720 0.262 1.00 . A A . 2 PHE HB3 1 1 14 6724 1 1 3 PHE HD1 H 1.698 -5.282 -0.029 1.00 . A A . 2 PHE HD1 1 1 14 6725 1 1 3 PHE HD2 H 2.907 -1.537 1.723 1.00 . A A . 2 PHE HD2 1 1 14 6726 1 1 3 PHE HE1 H -0.282 -5.319 1.423 1.00 . A A . 2 PHE HE1 1 1 14 6727 1 1 3 PHE HE2 H 1.003 -1.667 3.285 1.00 . A A . 2 PHE HE2 1 1 14 6728 1 1 3 PHE HZ H -0.611 -3.547 3.131 1.00 . A A . 2 PHE HZ 1 1 14 6729 1 1 3 PHE N N 2.283 -3.540 -2.246 1.00 . A A . 2 PHE N 1 1 14 6730 1 1 3 PHE O O 5.584 -2.814 -2.019 1.00 . A A . 2 PHE O 1 1 14 6731 1 1 4 GLU C C 5.026 -1.406 -5.907 1.00 . A A . 3 GLU C 1 1 14 6732 1 1 4 GLU CA C 5.424 -2.190 -4.674 1.00 . A A . 3 GLU CA 1 1 14 6733 1 1 4 GLU CB C 5.908 -3.640 -4.962 1.00 . A A . 3 GLU CB 1 1 14 6734 1 1 4 GLU CD C 8.223 -4.621 -5.452 1.00 . A A . 3 GLU CD 1 1 14 6735 1 1 4 GLU CG C 7.156 -3.653 -5.873 1.00 . A A . 3 GLU CG 1 1 14 6736 1 1 4 GLU H H 3.381 -2.016 -4.132 1.00 . A A . 3 GLU H 1 1 14 6737 1 1 4 GLU HA H 6.238 -1.633 -4.182 1.00 . A A . 3 GLU HA 1 1 14 6738 1 1 4 GLU HB2 H 6.181 -4.136 -4.021 1.00 . A A . 3 GLU HB2 1 1 14 6739 1 1 4 GLU HB3 H 5.097 -4.221 -5.419 1.00 . A A . 3 GLU HB3 1 1 14 6740 1 1 4 GLU HG2 H 6.867 -3.850 -6.918 1.00 . A A . 3 GLU HG2 1 1 14 6741 1 1 4 GLU HG3 H 7.619 -2.668 -5.784 1.00 . A A . 3 GLU HG3 1 1 14 6742 1 1 4 GLU N N 4.287 -2.235 -3.767 1.00 . A A . 3 GLU N 1 1 14 6743 1 1 4 GLU O O 4.978 -1.940 -7.005 1.00 . A A . 3 GLU O 1 1 14 6744 1 1 4 GLU OE1 O 8.121 -5.823 -5.814 1.00 . A A . 3 GLU OE1 1 1 14 6745 1 1 4 GLU OE2 O 9.182 -4.169 -4.768 1.00 . A A . 3 GLU OE2 1 1 14 6746 1 1 5 ASP C C 4.601 2.165 -6.572 1.00 . A A . 4 ASP C 1 1 14 6747 1 1 5 ASP CA C 4.245 0.721 -6.822 1.00 . A A . 4 ASP CA 1 1 14 6748 1 1 5 ASP CB C 2.724 0.489 -6.989 1.00 . A A . 4 ASP CB 1 1 14 6749 1 1 5 ASP CG C 1.959 0.690 -5.714 1.00 . A A . 4 ASP CG 1 1 14 6750 1 1 5 ASP H H 4.734 0.322 -4.811 1.00 . A A . 4 ASP H 1 1 14 6751 1 1 5 ASP HA H 4.760 0.464 -7.755 1.00 . A A . 4 ASP HA 1 1 14 6752 1 1 5 ASP HB2 H 2.311 1.140 -7.767 1.00 . A A . 4 ASP HB2 1 1 14 6753 1 1 5 ASP HB3 H 2.552 -0.555 -7.286 1.00 . A A . 4 ASP HB3 1 1 14 6754 1 1 5 ASP N N 4.721 -0.105 -5.718 1.00 . A A . 4 ASP N 1 1 14 6755 1 1 5 ASP O O 5.188 2.444 -5.538 1.00 . A A . 4 ASP O 1 1 14 6756 1 1 5 ASP OD1 O 2.403 1.502 -4.860 1.00 . A A . 4 ASP OD1 1 1 14 6757 1 1 5 ASP OD2 O 0.907 0.011 -5.564 1.00 . A A . 4 ASP OD2 1 1 14 6758 1 1 6 TRP C C 3.460 5.317 -7.901 1.00 . A A . 5 TRP C 1 1 14 6759 1 1 6 TRP CA C 4.574 4.493 -7.314 1.00 . A A . 5 TRP CA 1 1 14 6760 1 1 6 TRP CB C 5.917 4.842 -7.993 1.00 . A A . 5 TRP CB 1 1 14 6761 1 1 6 TRP CD1 C 6.470 3.179 -9.826 1.00 . A A . 5 TRP CD1 1 1 14 6762 1 1 6 TRP CD2 C 5.404 5.021 -10.632 1.00 . A A . 5 TRP CD2 1 1 14 6763 1 1 6 TRP CE2 C 5.741 4.151 -11.653 1.00 . A A . 5 TRP CE2 1 1 14 6764 1 1 6 TRP CE3 C 4.735 6.221 -10.863 1.00 . A A . 5 TRP CE3 1 1 14 6765 1 1 6 TRP CG C 5.944 4.338 -9.410 1.00 . A A . 5 TRP CG 1 1 14 6766 1 1 6 TRP CH2 C 4.849 5.676 -13.234 1.00 . A A . 5 TRP CH2 1 1 14 6767 1 1 6 TRP CZ2 C 5.489 4.460 -12.983 1.00 . A A . 5 TRP CZ2 1 1 14 6768 1 1 6 TRP CZ3 C 4.439 6.512 -12.194 1.00 . A A . 5 TRP CZ3 1 1 14 6769 1 1 6 TRP H H 3.870 2.812 -8.388 1.00 . A A . 5 TRP H 1 1 14 6770 1 1 6 TRP HA H 4.629 4.738 -6.242 1.00 . A A . 5 TRP HA 1 1 14 6771 1 1 6 TRP HB2 H 6.103 5.926 -7.988 1.00 . A A . 5 TRP HB2 1 1 14 6772 1 1 6 TRP HB3 H 6.721 4.349 -7.427 1.00 . A A . 5 TRP HB3 1 1 14 6773 1 1 6 TRP HD1 H 6.923 2.505 -9.111 1.00 . A A . 5 TRP HD1 1 1 14 6774 1 1 6 TRP HE1 H 6.642 2.243 -11.673 1.00 . A A . 5 TRP HE1 1 1 14 6775 1 1 6 TRP HE3 H 4.482 6.881 -10.050 1.00 . A A . 5 TRP HE3 1 1 14 6776 1 1 6 TRP HH2 H 4.678 5.989 -14.247 1.00 . A A . 5 TRP HH2 1 1 14 6777 1 1 6 TRP HZ2 H 5.769 3.824 -13.807 1.00 . A A . 5 TRP HZ2 1 1 14 6778 1 1 6 TRP HZ3 H 3.893 7.396 -12.462 1.00 . A A . 5 TRP HZ3 1 1 14 6779 1 1 6 TRP N N 4.282 3.079 -7.513 1.00 . A A . 5 TRP N 1 1 14 6780 1 1 6 TRP NE1 N 6.332 3.058 -11.121 1.00 . A A . 5 TRP NE1 1 1 14 6781 1 1 6 TRP O O 2.669 4.754 -8.642 1.00 . A A . 5 TRP O 1 1 14 6782 1 1 7 LEU C C 2.865 8.499 -8.989 1.00 . A A . 6 LEU C 1 1 14 6783 1 1 7 LEU CA C 2.311 7.477 -8.032 1.00 . A A . 6 LEU CA 1 1 14 6784 1 1 7 LEU CB C 1.599 8.233 -6.888 1.00 . A A . 6 LEU CB 1 1 14 6785 1 1 7 LEU CD1 C 2.126 7.286 -4.558 1.00 . A A . 6 LEU CD1 1 1 14 6786 1 1 7 LEU CD2 C -0.286 7.719 -5.264 1.00 . A A . 6 LEU CD2 1 1 14 6787 1 1 7 LEU CG C 1.124 7.291 -5.744 1.00 . A A . 6 LEU CG 1 1 14 6788 1 1 7 LEU H H 4.102 7.064 -7.007 1.00 . A A . 6 LEU H 1 1 14 6789 1 1 7 LEU HA H 1.539 6.884 -8.529 1.00 . A A . 6 LEU HA 1 1 14 6790 1 1 7 LEU HB2 H 2.266 9.012 -6.488 1.00 . A A . 6 LEU HB2 1 1 14 6791 1 1 7 LEU HB3 H 0.739 8.741 -7.355 1.00 . A A . 6 LEU HB3 1 1 14 6792 1 1 7 LEU HD11 H 1.732 6.686 -3.724 1.00 . A A . 6 LEU HD11 1 1 14 6793 1 1 7 LEU HD12 H 2.307 8.308 -4.192 1.00 . A A . 6 LEU HD12 1 1 14 6794 1 1 7 LEU HD13 H 3.084 6.842 -4.859 1.00 . A A . 6 LEU HD13 1 1 14 6795 1 1 7 LEU HD21 H -0.348 8.813 -5.162 1.00 . A A . 6 LEU HD21 1 1 14 6796 1 1 7 LEU HD22 H -0.534 7.263 -4.295 1.00 . A A . 6 LEU HD22 1 1 14 6797 1 1 7 LEU HD23 H -1.034 7.386 -6.002 1.00 . A A . 6 LEU HD23 1 1 14 6798 1 1 7 LEU HG H 1.041 6.256 -6.114 1.00 . A A . 6 LEU HG 1 1 14 6799 1 1 7 LEU N N 3.398 6.628 -7.566 1.00 . A A . 6 LEU N 1 1 14 6800 1 1 7 LEU O O 3.834 9.154 -8.641 1.00 . A A . 6 LEU O 1 1 14 6801 1 1 8 CYS C C 2.893 10.975 -10.613 1.00 . A A . 7 CYS C 1 1 14 6802 1 1 8 CYS CA C 2.876 9.571 -11.154 1.00 . A A . 7 CYS CA 1 1 14 6803 1 1 8 CYS CB C 2.073 9.512 -12.477 1.00 . A A . 7 CYS CB 1 1 14 6804 1 1 8 CYS H H 1.506 8.081 -10.486 1.00 . A A . 7 CYS H 1 1 14 6805 1 1 8 CYS HA H 3.927 9.294 -11.316 1.00 . A A . 7 CYS HA 1 1 14 6806 1 1 8 CYS HB2 H 1.893 8.483 -12.822 1.00 . A A . 7 CYS HB2 1 1 14 6807 1 1 8 CYS HB3 H 1.104 9.993 -12.319 1.00 . A A . 7 CYS HB3 1 1 14 6808 1 1 8 CYS N N 2.295 8.635 -10.203 1.00 . A A . 7 CYS N 1 1 14 6809 1 1 8 CYS O O 2.047 11.306 -9.798 1.00 . A A . 7 CYS O 1 1 14 6810 1 1 8 CYS SG S 2.915 10.401 -13.810 1.00 . A A . 7 CYS SG 1 1 14 6811 1 1 9 ASN C C 3.206 14.133 -11.541 1.00 . A A . 8 ASN C 1 1 14 6812 1 1 9 ASN CA C 3.929 13.192 -10.600 1.00 . A A . 8 ASN CA 1 1 14 6813 1 1 9 ASN CB C 5.421 13.599 -10.413 1.00 . A A . 8 ASN CB 1 1 14 6814 1 1 9 ASN CG C 5.690 14.006 -8.988 1.00 . A A . 8 ASN CG 1 1 14 6815 1 1 9 ASN H H 4.481 11.526 -11.797 1.00 . A A . 8 ASN H 1 1 14 6816 1 1 9 ASN HA H 3.426 13.282 -9.626 1.00 . A A . 8 ASN HA 1 1 14 6817 1 1 9 ASN HB2 H 6.086 12.755 -10.645 1.00 . A A . 8 ASN HB2 1 1 14 6818 1 1 9 ASN HB3 H 5.706 14.426 -11.080 1.00 . A A . 8 ASN HB3 1 1 14 6819 1 1 9 ASN HD21 H 4.430 15.623 -9.061 1.00 . A A . 8 ASN HD21 1 1 14 6820 1 1 9 ASN HD22 H 5.229 15.353 -7.546 1.00 . A A . 8 ASN HD22 1 1 14 6821 1 1 9 ASN N N 3.849 11.815 -11.076 1.00 . A A . 8 ASN N 1 1 14 6822 1 1 9 ASN ND2 N 5.059 15.089 -8.495 1.00 . A A . 8 ASN ND2 1 1 14 6823 1 1 9 ASN O O 3.475 15.324 -11.509 1.00 . A A . 8 ASN O 1 1 14 6824 1 1 9 ASN OD1 O 6.465 13.351 -8.312 1.00 . A A . 8 ASN OD1 1 1 14 6825 1 1 10 LYS C C 0.098 14.124 -13.256 1.00 . A A . 9 LYS C 1 1 14 6826 1 1 10 LYS CA C 1.572 14.434 -13.354 1.00 . A A . 9 LYS CA 1 1 14 6827 1 1 10 LYS CB C 2.070 14.125 -14.797 1.00 . A A . 9 LYS CB 1 1 14 6828 1 1 10 LYS CD C 4.220 15.489 -15.074 1.00 . A A . 9 LYS CD 1 1 14 6829 1 1 10 LYS CE C 4.824 16.812 -15.628 1.00 . A A . 9 LYS CE 1 1 14 6830 1 1 10 LYS CG C 2.732 15.347 -15.480 1.00 . A A . 9 LYS CG 1 1 14 6831 1 1 10 LYS H H 2.084 12.641 -12.376 1.00 . A A . 9 LYS H 1 1 14 6832 1 1 10 LYS HA H 1.675 15.502 -13.111 1.00 . A A . 9 LYS HA 1 1 14 6833 1 1 10 LYS HB2 H 2.776 13.280 -14.783 1.00 . A A . 9 LYS HB2 1 1 14 6834 1 1 10 LYS HB3 H 1.216 13.833 -15.429 1.00 . A A . 9 LYS HB3 1 1 14 6835 1 1 10 LYS HD2 H 4.318 15.412 -13.983 1.00 . A A . 9 LYS HD2 1 1 14 6836 1 1 10 LYS HD3 H 4.765 14.637 -15.512 1.00 . A A . 9 LYS HD3 1 1 14 6837 1 1 10 LYS HE2 H 5.737 16.569 -16.195 1.00 . A A . 9 LYS HE2 1 1 14 6838 1 1 10 LYS HE3 H 4.123 17.263 -16.348 1.00 . A A . 9 LYS HE3 1 1 14 6839 1 1 10 LYS HG2 H 2.696 15.198 -16.572 1.00 . A A . 9 LYS HG2 1 1 14 6840 1 1 10 LYS HG3 H 2.163 16.262 -15.246 1.00 . A A . 9 LYS HG3 1 1 14 6841 1 1 10 LYS HZ1 H 6.230 17.952 -14.532 1.00 . A A . 9 LYS HZ1 1 1 14 6842 1 1 10 LYS HZ2 H 4.825 17.587 -13.585 1.00 . A A . 9 LYS HZ2 1 1 14 6843 1 1 10 LYS HZ3 H 4.733 18.782 -14.823 1.00 . A A . 9 LYS HZ3 1 1 14 6844 1 1 10 LYS N N 2.285 13.612 -12.382 1.00 . A A . 9 LYS N 1 1 14 6845 1 1 10 LYS NZ N 5.158 17.817 -14.587 1.00 . A A . 9 LYS NZ 1 1 14 6846 1 1 10 LYS O O -0.682 15.011 -12.947 1.00 . A A . 9 LYS O 1 1 14 6847 1 1 11 CYS C C -1.992 11.785 -12.073 1.00 . A A . 10 CYS C 1 1 14 6848 1 1 11 CYS CA C -1.697 12.485 -13.382 1.00 . A A . 10 CYS CA 1 1 14 6849 1 1 11 CYS CB C -2.055 11.554 -14.553 1.00 . A A . 10 CYS CB 1 1 14 6850 1 1 11 CYS H H 0.358 12.163 -13.792 1.00 . A A . 10 CYS H 1 1 14 6851 1 1 11 CYS HA H -2.365 13.354 -13.475 1.00 . A A . 10 CYS HA 1 1 14 6852 1 1 11 CYS HB2 H -3.086 11.226 -14.426 1.00 . A A . 10 CYS HB2 1 1 14 6853 1 1 11 CYS HB3 H -1.922 12.031 -15.537 1.00 . A A . 10 CYS HB3 1 1 14 6854 1 1 11 CYS N N -0.297 12.862 -13.517 1.00 . A A . 10 CYS N 1 1 14 6855 1 1 11 CYS O O -3.135 11.415 -11.864 1.00 . A A . 10 CYS O 1 1 14 6856 1 1 11 CYS SG S -1.050 10.072 -14.475 1.00 . A A . 10 CYS SG 1 1 14 6857 1 1 12 CYS C C -1.755 9.496 -10.045 1.00 . A A . 11 CYS C 1 1 14 6858 1 1 12 CYS CA C -1.286 10.926 -9.896 1.00 . A A . 11 CYS CA 1 1 14 6859 1 1 12 CYS CB C -2.286 11.764 -9.063 1.00 . A A . 11 CYS CB 1 1 14 6860 1 1 12 CYS H H -0.069 11.893 -11.322 1.00 . A A . 11 CYS H 1 1 14 6861 1 1 12 CYS HA H -0.353 10.882 -9.314 1.00 . A A . 11 CYS HA 1 1 14 6862 1 1 12 CYS HB2 H -3.321 11.600 -9.396 1.00 . A A . 11 CYS HB2 1 1 14 6863 1 1 12 CYS HB3 H -2.212 11.479 -8.004 1.00 . A A . 11 CYS HB3 1 1 14 6864 1 1 12 CYS HG H -2.313 13.707 -10.116 1.00 . A A . 11 CYS HG 1 1 14 6865 1 1 12 CYS N N -1.004 11.585 -11.171 1.00 . A A . 11 CYS N 1 1 14 6866 1 1 12 CYS O O -2.299 8.945 -9.102 1.00 . A A . 11 CYS O 1 1 14 6867 1 1 12 CYS SG S -1.884 13.538 -9.218 1.00 . A A . 11 CYS SG 1 1 14 6868 1 1 13 LEU C C -1.033 6.558 -10.844 1.00 . A A . 12 LEU C 1 1 14 6869 1 1 13 LEU CA C -2.032 7.519 -11.449 1.00 . A A . 12 LEU CA 1 1 14 6870 1 1 13 LEU CB C -2.132 7.243 -12.971 1.00 . A A . 12 LEU CB 1 1 14 6871 1 1 13 LEU CD1 C -4.326 5.973 -13.507 1.00 . A A . 12 LEU CD1 1 1 14 6872 1 1 13 LEU CD2 C -2.062 5.127 -14.455 1.00 . A A . 12 LEU CD2 1 1 14 6873 1 1 13 LEU CG C -2.789 5.864 -13.290 1.00 . A A . 12 LEU CG 1 1 14 6874 1 1 13 LEU H H -1.059 9.310 -11.959 1.00 . A A . 12 LEU H 1 1 14 6875 1 1 13 LEU HA H -3.043 7.424 -11.022 1.00 . A A . 12 LEU HA 1 1 14 6876 1 1 13 LEU HB2 H -2.706 8.049 -13.454 1.00 . A A . 12 LEU HB2 1 1 14 6877 1 1 13 LEU HB3 H -1.100 7.295 -13.347 1.00 . A A . 12 LEU HB3 1 1 14 6878 1 1 13 LEU HD11 H -4.595 5.840 -14.562 1.00 . A A . 12 LEU HD11 1 1 14 6879 1 1 13 LEU HD12 H -4.714 6.944 -13.170 1.00 . A A . 12 LEU HD12 1 1 14 6880 1 1 13 LEU HD13 H -4.851 5.192 -12.935 1.00 . A A . 12 LEU HD13 1 1 14 6881 1 1 13 LEU HD21 H -1.412 5.807 -15.022 1.00 . A A . 12 LEU HD21 1 1 14 6882 1 1 13 LEU HD22 H -2.749 4.648 -15.167 1.00 . A A . 12 LEU HD22 1 1 14 6883 1 1 13 LEU HD23 H -1.426 4.334 -14.039 1.00 . A A . 12 LEU HD23 1 1 14 6884 1 1 13 LEU HG H -2.666 5.217 -12.408 1.00 . A A . 12 LEU HG 1 1 14 6885 1 1 13 LEU N N -1.552 8.872 -11.222 1.00 . A A . 12 LEU N 1 1 14 6886 1 1 13 LEU O O 0.156 6.691 -11.096 1.00 . A A . 12 LEU O 1 1 14 6887 1 1 14 ASN C C -0.059 3.663 -10.516 1.00 . A A . 13 ASN C 1 1 14 6888 1 1 14 ASN CA C -0.613 4.593 -9.467 1.00 . A A . 13 ASN CA 1 1 14 6889 1 1 14 ASN CB C -1.311 3.792 -8.339 1.00 . A A . 13 ASN CB 1 1 14 6890 1 1 14 ASN CG C -0.730 2.413 -8.204 1.00 . A A . 13 ASN CG 1 1 14 6891 1 1 14 ASN H H -2.489 5.521 -9.851 1.00 . A A . 13 ASN H 1 1 14 6892 1 1 14 ASN HA H 0.229 5.115 -9.006 1.00 . A A . 13 ASN HA 1 1 14 6893 1 1 14 ASN HB2 H -1.209 4.343 -7.391 1.00 . A A . 13 ASN HB2 1 1 14 6894 1 1 14 ASN HB3 H -2.385 3.663 -8.539 1.00 . A A . 13 ASN HB3 1 1 14 6895 1 1 14 ASN HD21 H -1.929 1.581 -9.655 1.00 . A A . 13 ASN HD21 1 1 14 6896 1 1 14 ASN HD22 H -0.830 0.499 -8.869 1.00 . A A . 13 ASN HD22 1 1 14 6897 1 1 14 ASN N N -1.511 5.584 -10.044 1.00 . A A . 13 ASN N 1 1 14 6898 1 1 14 ASN ND2 N -1.206 1.419 -8.982 1.00 . A A . 13 ASN ND2 1 1 14 6899 1 1 14 ASN O O -0.751 3.413 -11.490 1.00 . A A . 13 ASN O 1 1 14 6900 1 1 14 ASN OD1 O 0.158 2.235 -7.390 1.00 . A A . 13 ASN OD1 1 1 14 6901 1 1 15 ASN C C 2.728 1.258 -10.694 1.00 . A A . 14 ASN C 1 1 14 6902 1 1 15 ASN CA C 1.732 2.215 -11.304 1.00 . A A . 14 ASN CA 1 1 14 6903 1 1 15 ASN CB C 2.479 2.993 -12.404 1.00 . A A . 14 ASN CB 1 1 14 6904 1 1 15 ASN CG C 1.516 3.613 -13.375 1.00 . A A . 14 ASN CG 1 1 14 6905 1 1 15 ASN H H 1.747 3.384 -9.540 1.00 . A A . 14 ASN H 1 1 14 6906 1 1 15 ASN HA H 0.901 1.636 -11.725 1.00 . A A . 14 ASN HA 1 1 14 6907 1 1 15 ASN HB2 H 3.099 3.742 -11.899 1.00 . A A . 14 ASN HB2 1 1 14 6908 1 1 15 ASN HB3 H 3.150 2.333 -12.968 1.00 . A A . 14 ASN HB3 1 1 14 6909 1 1 15 ASN HD21 H 1.952 5.551 -12.824 1.00 . A A . 14 ASN HD21 1 1 14 6910 1 1 15 ASN HD22 H 0.782 5.366 -14.062 1.00 . A A . 14 ASN HD22 1 1 14 6911 1 1 15 ASN N N 1.174 3.136 -10.326 1.00 . A A . 14 ASN N 1 1 14 6912 1 1 15 ASN ND2 N 1.417 4.954 -13.419 1.00 . A A . 14 ASN ND2 1 1 14 6913 1 1 15 ASN O O 3.525 1.684 -9.872 1.00 . A A . 14 ASN O 1 1 14 6914 1 1 15 ASN OD1 O 0.858 2.880 -14.098 1.00 . A A . 14 ASN OD1 1 1 14 6915 1 1 16 PHE C C 4.998 -0.628 -10.543 1.00 . A A . 15 PHE C 1 1 14 6916 1 1 16 PHE CA C 3.547 -1.029 -10.467 1.00 . A A . 15 PHE CA 1 1 14 6917 1 1 16 PHE CB C 3.311 -2.437 -11.091 1.00 . A A . 15 PHE CB 1 1 14 6918 1 1 16 PHE CD1 C 3.466 -3.727 -8.872 1.00 . A A . 15 PHE CD1 1 1 14 6919 1 1 16 PHE CD2 C 4.412 -4.712 -10.845 1.00 . A A . 15 PHE CD2 1 1 14 6920 1 1 16 PHE CE1 C 3.897 -4.827 -8.129 1.00 . A A . 15 PHE CE1 1 1 14 6921 1 1 16 PHE CE2 C 4.917 -5.771 -10.087 1.00 . A A . 15 PHE CE2 1 1 14 6922 1 1 16 PHE CG C 3.747 -3.642 -10.240 1.00 . A A . 15 PHE CG 1 1 14 6923 1 1 16 PHE CZ C 4.651 -5.837 -8.721 1.00 . A A . 15 PHE CZ 1 1 14 6924 1 1 16 PHE H H 2.026 -0.359 -11.759 1.00 . A A . 15 PHE H 1 1 14 6925 1 1 16 PHE HA H 3.234 -1.026 -9.424 1.00 . A A . 15 PHE HA 1 1 14 6926 1 1 16 PHE HB2 H 2.237 -2.610 -11.253 1.00 . A A . 15 PHE HB2 1 1 14 6927 1 1 16 PHE HB3 H 3.812 -2.448 -12.071 1.00 . A A . 15 PHE HB3 1 1 14 6928 1 1 16 PHE HD1 H 2.899 -2.960 -8.362 1.00 . A A . 15 PHE HD1 1 1 14 6929 1 1 16 PHE HD2 H 4.528 -4.734 -11.921 1.00 . A A . 15 PHE HD2 1 1 14 6930 1 1 16 PHE HE1 H 3.644 -4.912 -7.084 1.00 . A A . 15 PHE HE1 1 1 14 6931 1 1 16 PHE HE2 H 5.511 -6.549 -10.554 1.00 . A A . 15 PHE HE2 1 1 14 6932 1 1 16 PHE HZ H 5.017 -6.663 -8.120 1.00 . A A . 15 PHE HZ 1 1 14 6933 1 1 16 PHE N N 2.688 -0.034 -11.093 1.00 . A A . 15 PHE N 1 1 14 6934 1 1 16 PHE O O 5.399 0.013 -11.502 1.00 . A A . 15 PHE O 1 1 14 6935 1 1 17 ARG C C 7.922 -1.201 -10.797 1.00 . A A . 16 ARG C 1 1 14 6936 1 1 17 ARG CA C 7.233 -0.616 -9.600 1.00 . A A . 16 ARG CA 1 1 14 6937 1 1 17 ARG CB C 8.056 -1.040 -8.362 1.00 . A A . 16 ARG CB 1 1 14 6938 1 1 17 ARG CD C 9.337 -0.312 -6.275 1.00 . A A . 16 ARG CD 1 1 14 6939 1 1 17 ARG CG C 8.349 0.132 -7.396 1.00 . A A . 16 ARG CG 1 1 14 6940 1 1 17 ARG CZ C 9.699 -0.019 -3.874 1.00 . A A . 16 ARG CZ 1 1 14 6941 1 1 17 ARG H H 5.469 -1.550 -8.782 1.00 . A A . 16 ARG H 1 1 14 6942 1 1 17 ARG HA H 7.307 0.459 -9.759 1.00 . A A . 16 ARG HA 1 1 14 6943 1 1 17 ARG HB2 H 7.487 -1.802 -7.837 1.00 . A A . 16 ARG HB2 1 1 14 6944 1 1 17 ARG HB3 H 9.009 -1.495 -8.672 1.00 . A A . 16 ARG HB3 1 1 14 6945 1 1 17 ARG HD2 H 9.493 -1.400 -6.293 1.00 . A A . 16 ARG HD2 1 1 14 6946 1 1 17 ARG HD3 H 10.297 0.171 -6.516 1.00 . A A . 16 ARG HD3 1 1 14 6947 1 1 17 ARG HE H 7.958 0.424 -4.808 1.00 . A A . 16 ARG HE 1 1 14 6948 1 1 17 ARG HG2 H 8.822 0.950 -7.965 1.00 . A A . 16 ARG HG2 1 1 14 6949 1 1 17 ARG HG3 H 7.388 0.501 -7.011 1.00 . A A . 16 ARG HG3 1 1 14 6950 1 1 17 ARG HH11 H 11.324 -0.866 -4.787 1.00 . A A . 16 ARG HH11 1 1 14 6951 1 1 17 ARG HH12 H 11.508 -0.523 -3.077 1.00 . A A . 16 ARG HH12 1 1 14 6952 1 1 17 ARG HH21 H 8.287 0.769 -2.624 1.00 . A A . 16 ARG HH21 1 1 14 6953 1 1 17 ARG HH22 H 9.823 0.355 -1.871 1.00 . A A . 16 ARG HH22 1 1 14 6954 1 1 17 ARG N N 5.821 -0.998 -9.544 1.00 . A A . 16 ARG N 1 1 14 6955 1 1 17 ARG NE N 8.915 0.063 -4.925 1.00 . A A . 16 ARG NE 1 1 14 6956 1 1 17 ARG NH1 N 10.920 -0.490 -3.922 1.00 . A A . 16 ARG NH1 1 1 14 6957 1 1 17 ARG NH2 N 9.242 0.394 -2.719 1.00 . A A . 16 ARG NH2 1 1 14 6958 1 1 17 ARG O O 8.873 -0.619 -11.293 1.00 . A A . 16 ARG O 1 1 14 6959 1 1 18 LYS C C 7.961 -2.028 -13.625 1.00 . A A . 17 LYS C 1 1 14 6960 1 1 18 LYS CA C 8.048 -2.967 -12.440 1.00 . A A . 17 LYS CA 1 1 14 6961 1 1 18 LYS CB C 7.225 -4.232 -12.783 1.00 . A A . 17 LYS CB 1 1 14 6962 1 1 18 LYS CD C 8.620 -6.392 -12.661 1.00 . A A . 17 LYS CD 1 1 14 6963 1 1 18 LYS CE C 8.861 -7.700 -13.456 1.00 . A A . 17 LYS CE 1 1 14 6964 1 1 18 LYS CG C 7.993 -5.310 -13.584 1.00 . A A . 17 LYS CG 1 1 14 6965 1 1 18 LYS H H 6.667 -2.797 -10.806 1.00 . A A . 17 LYS H 1 1 14 6966 1 1 18 LYS HA H 9.092 -3.227 -12.206 1.00 . A A . 17 LYS HA 1 1 14 6967 1 1 18 LYS HB2 H 6.898 -4.719 -11.860 1.00 . A A . 17 LYS HB2 1 1 14 6968 1 1 18 LYS HB3 H 6.334 -3.907 -13.340 1.00 . A A . 17 LYS HB3 1 1 14 6969 1 1 18 LYS HD2 H 9.568 -5.999 -12.262 1.00 . A A . 17 LYS HD2 1 1 14 6970 1 1 18 LYS HD3 H 7.992 -6.664 -11.798 1.00 . A A . 17 LYS HD3 1 1 14 6971 1 1 18 LYS HE2 H 9.267 -7.445 -14.448 1.00 . A A . 17 LYS HE2 1 1 14 6972 1 1 18 LYS HE3 H 9.627 -8.282 -12.918 1.00 . A A . 17 LYS HE3 1 1 14 6973 1 1 18 LYS HG2 H 7.267 -5.795 -14.255 1.00 . A A . 17 LYS HG2 1 1 14 6974 1 1 18 LYS HG3 H 8.775 -4.843 -14.203 1.00 . A A . 17 LYS HG3 1 1 14 6975 1 1 18 LYS HZ1 H 7.784 -9.512 -13.186 1.00 . A A . 17 LYS HZ1 1 1 14 6976 1 1 18 LYS HZ2 H 7.351 -8.655 -14.629 1.00 . A A . 17 LYS HZ2 1 1 14 6977 1 1 18 LYS HZ3 H 6.752 -8.138 -13.097 1.00 . A A . 17 LYS HZ3 1 1 14 6978 1 1 18 LYS N N 7.442 -2.363 -11.262 1.00 . A A . 17 LYS N 1 1 14 6979 1 1 18 LYS NZ N 7.631 -8.522 -13.594 1.00 . A A . 17 LYS NZ 1 1 14 6980 1 1 18 LYS O O 8.757 -2.144 -14.543 1.00 . A A . 17 LYS O 1 1 14 6981 1 1 19 ARG C C 8.019 0.683 -14.909 1.00 . A A . 18 ARG C 1 1 14 6982 1 1 19 ARG CA C 6.811 -0.224 -14.787 1.00 . A A . 18 ARG CA 1 1 14 6983 1 1 19 ARG CB C 5.558 0.687 -14.620 1.00 . A A . 18 ARG CB 1 1 14 6984 1 1 19 ARG CD C 3.583 -0.221 -16.038 1.00 . A A . 18 ARG CD 1 1 14 6985 1 1 19 ARG CG C 4.671 0.878 -15.877 1.00 . A A . 18 ARG CG 1 1 14 6986 1 1 19 ARG CZ C 1.326 -0.675 -15.161 1.00 . A A . 18 ARG CZ 1 1 14 6987 1 1 19 ARG H H 6.362 -0.998 -12.857 1.00 . A A . 18 ARG H 1 1 14 6988 1 1 19 ARG HA H 6.700 -0.854 -15.682 1.00 . A A . 18 ARG HA 1 1 14 6989 1 1 19 ARG HB2 H 4.887 0.324 -13.838 1.00 . A A . 18 ARG HB2 1 1 14 6990 1 1 19 ARG HB3 H 5.928 1.661 -14.290 1.00 . A A . 18 ARG HB3 1 1 14 6991 1 1 19 ARG HD2 H 3.174 -0.049 -17.044 1.00 . A A . 18 ARG HD2 1 1 14 6992 1 1 19 ARG HD3 H 4.049 -1.217 -15.986 1.00 . A A . 18 ARG HD3 1 1 14 6993 1 1 19 ARG HE H 2.672 0.500 -14.243 1.00 . A A . 18 ARG HE 1 1 14 6994 1 1 19 ARG HG2 H 4.146 1.843 -15.794 1.00 . A A . 18 ARG HG2 1 1 14 6995 1 1 19 ARG HG3 H 5.295 0.911 -16.781 1.00 . A A . 18 ARG HG3 1 1 14 6996 1 1 19 ARG HH11 H 1.672 -1.722 -16.877 1.00 . A A . 18 ARG HH11 1 1 14 6997 1 1 19 ARG HH12 H 0.059 -1.884 -16.200 1.00 . A A . 18 ARG HH12 1 1 14 6998 1 1 19 ARG HH21 H 0.588 0.234 -13.495 1.00 . A A . 18 ARG HH21 1 1 14 6999 1 1 19 ARG HH22 H -0.511 -0.876 -14.282 1.00 . A A . 18 ARG HH22 1 1 14 7000 1 1 19 ARG N N 6.979 -1.101 -13.635 1.00 . A A . 18 ARG N 1 1 14 7001 1 1 19 ARG NE N 2.503 -0.104 -15.050 1.00 . A A . 18 ARG NE 1 1 14 7002 1 1 19 ARG NH1 N 1.004 -1.477 -16.140 1.00 . A A . 18 ARG NH1 1 1 14 7003 1 1 19 ARG NH2 N 0.417 -0.433 -14.250 1.00 . A A . 18 ARG NH2 1 1 14 7004 1 1 19 ARG O O 8.729 0.858 -13.932 1.00 . A A . 18 ARG O 1 1 14 7005 1 1 20 LEU C C 8.731 3.637 -16.633 1.00 . A A . 19 LEU C 1 1 14 7006 1 1 20 LEU CA C 9.285 2.285 -16.276 1.00 . A A . 19 LEU CA 1 1 14 7007 1 1 20 LEU CB C 10.207 1.835 -17.439 1.00 . A A . 19 LEU CB 1 1 14 7008 1 1 20 LEU CD1 C 11.763 -0.036 -18.160 1.00 . A A . 19 LEU CD1 1 1 14 7009 1 1 20 LEU CD2 C 12.444 1.489 -16.257 1.00 . A A . 19 LEU CD2 1 1 14 7010 1 1 20 LEU CG C 11.245 0.791 -16.956 1.00 . A A . 19 LEU CG 1 1 14 7011 1 1 20 LEU H H 7.662 1.064 -16.888 1.00 . A A . 19 LEU H 1 1 14 7012 1 1 20 LEU HA H 9.849 2.456 -15.349 1.00 . A A . 19 LEU HA 1 1 14 7013 1 1 20 LEU HB2 H 9.564 1.416 -18.228 1.00 . A A . 19 LEU HB2 1 1 14 7014 1 1 20 LEU HB3 H 10.756 2.678 -17.884 1.00 . A A . 19 LEU HB3 1 1 14 7015 1 1 20 LEU HD11 H 12.429 -0.833 -17.800 1.00 . A A . 19 LEU HD11 1 1 14 7016 1 1 20 LEU HD12 H 12.317 0.610 -18.858 1.00 . A A . 19 LEU HD12 1 1 14 7017 1 1 20 LEU HD13 H 10.925 -0.502 -18.700 1.00 . A A . 19 LEU HD13 1 1 14 7018 1 1 20 LEU HD21 H 12.125 2.163 -15.452 1.00 . A A . 19 LEU HD21 1 1 14 7019 1 1 20 LEU HD22 H 13.018 2.082 -16.986 1.00 . A A . 19 LEU HD22 1 1 14 7020 1 1 20 LEU HD23 H 13.110 0.729 -15.822 1.00 . A A . 19 LEU HD23 1 1 14 7021 1 1 20 LEU HG H 10.750 0.103 -16.252 1.00 . A A . 19 LEU HG 1 1 14 7022 1 1 20 LEU N N 8.232 1.285 -16.099 1.00 . A A . 19 LEU N 1 1 14 7023 1 1 20 LEU O O 9.523 4.533 -16.866 1.00 . A A . 19 LEU O 1 1 14 7024 1 1 21 LYS C C 5.410 5.112 -16.947 1.00 . A A . 20 LYS C 1 1 14 7025 1 1 21 LYS CA C 6.907 5.163 -16.992 1.00 . A A . 20 LYS CA 1 1 14 7026 1 1 21 LYS CB C 7.334 5.719 -18.378 1.00 . A A . 20 LYS CB 1 1 14 7027 1 1 21 LYS CD C 6.998 5.225 -20.871 1.00 . A A . 20 LYS CD 1 1 14 7028 1 1 21 LYS CE C 6.829 4.111 -21.943 1.00 . A A . 20 LYS CE 1 1 14 7029 1 1 21 LYS CG C 7.200 4.619 -19.460 1.00 . A A . 20 LYS CG 1 1 14 7030 1 1 21 LYS H H 6.715 3.144 -16.468 1.00 . A A . 20 LYS H 1 1 14 7031 1 1 21 LYS HA H 7.227 5.802 -16.161 1.00 . A A . 20 LYS HA 1 1 14 7032 1 1 21 LYS HB2 H 6.685 6.574 -18.623 1.00 . A A . 20 LYS HB2 1 1 14 7033 1 1 21 LYS HB3 H 8.371 6.089 -18.369 1.00 . A A . 20 LYS HB3 1 1 14 7034 1 1 21 LYS HD2 H 6.070 5.820 -20.846 1.00 . A A . 20 LYS HD2 1 1 14 7035 1 1 21 LYS HD3 H 7.828 5.902 -21.124 1.00 . A A . 20 LYS HD3 1 1 14 7036 1 1 21 LYS HE2 H 6.517 3.172 -21.456 1.00 . A A . 20 LYS HE2 1 1 14 7037 1 1 21 LYS HE3 H 6.020 4.400 -22.634 1.00 . A A . 20 LYS HE3 1 1 14 7038 1 1 21 LYS HG2 H 8.095 3.975 -19.443 1.00 . A A . 20 LYS HG2 1 1 14 7039 1 1 21 LYS HG3 H 6.322 3.998 -19.232 1.00 . A A . 20 LYS HG3 1 1 14 7040 1 1 21 LYS HZ1 H 8.967 4.085 -22.197 1.00 . A A . 20 LYS HZ1 1 1 14 7041 1 1 21 LYS HZ2 H 8.051 4.465 -23.636 1.00 . A A . 20 LYS HZ2 1 1 14 7042 1 1 21 LYS HZ3 H 8.115 2.831 -23.044 1.00 . A A . 20 LYS HZ3 1 1 14 7043 1 1 21 LYS N N 7.401 3.837 -16.686 1.00 . A A . 20 LYS N 1 1 14 7044 1 1 21 LYS NZ N 8.056 3.866 -22.734 1.00 . A A . 20 LYS NZ 1 1 14 7045 1 1 21 LYS O O 4.841 4.037 -17.068 1.00 . A A . 20 LYS O 1 1 14 7046 1 1 22 CYS C C 2.665 5.833 -17.875 1.00 . A A . 21 CYS C 1 1 14 7047 1 1 22 CYS CA C 3.333 6.252 -16.592 1.00 . A A . 21 CYS CA 1 1 14 7048 1 1 22 CYS CB C 2.885 7.655 -16.154 1.00 . A A . 21 CYS CB 1 1 14 7049 1 1 22 CYS H H 5.252 7.148 -16.676 1.00 . A A . 21 CYS H 1 1 14 7050 1 1 22 CYS HA H 3.070 5.547 -15.789 1.00 . A A . 21 CYS HA 1 1 14 7051 1 1 22 CYS HB2 H 3.457 7.998 -15.280 1.00 . A A . 21 CYS HB2 1 1 14 7052 1 1 22 CYS HB3 H 2.971 8.385 -16.972 1.00 . A A . 21 CYS HB3 1 1 14 7053 1 1 22 CYS N N 4.768 6.271 -16.749 1.00 . A A . 21 CYS N 1 1 14 7054 1 1 22 CYS O O 2.940 6.427 -18.903 1.00 . A A . 21 CYS O 1 1 14 7055 1 1 22 CYS SG S 1.175 7.456 -15.649 1.00 . A A . 21 CYS SG 1 1 14 7056 1 1 23 PHE C C -0.029 5.276 -19.435 1.00 . A A . 22 PHE C 1 1 14 7057 1 1 23 PHE CA C 1.127 4.371 -19.061 1.00 . A A . 22 PHE CA 1 1 14 7058 1 1 23 PHE CB C 0.636 2.917 -18.833 1.00 . A A . 22 PHE CB 1 1 14 7059 1 1 23 PHE CD1 C 1.735 1.696 -20.751 1.00 . A A . 22 PHE CD1 1 1 14 7060 1 1 23 PHE CD2 C -0.677 1.850 -20.741 1.00 . A A . 22 PHE CD2 1 1 14 7061 1 1 23 PHE CE1 C 1.687 0.957 -21.934 1.00 . A A . 22 PHE CE1 1 1 14 7062 1 1 23 PHE CE2 C -0.726 1.101 -21.919 1.00 . A A . 22 PHE CE2 1 1 14 7063 1 1 23 PHE CG C 0.554 2.137 -20.146 1.00 . A A . 22 PHE CG 1 1 14 7064 1 1 23 PHE CZ C 0.455 0.656 -22.517 1.00 . A A . 22 PHE CZ 1 1 14 7065 1 1 23 PHE H H 1.522 4.379 -16.972 1.00 . A A . 22 PHE H 1 1 14 7066 1 1 23 PHE HA H 1.863 4.368 -19.881 1.00 . A A . 22 PHE HA 1 1 14 7067 1 1 23 PHE HB2 H 1.358 2.367 -18.208 1.00 . A A . 22 PHE HB2 1 1 14 7068 1 1 23 PHE HB3 H -0.330 2.930 -18.303 1.00 . A A . 22 PHE HB3 1 1 14 7069 1 1 23 PHE HD1 H 2.696 1.923 -20.304 1.00 . A A . 22 PHE HD1 1 1 14 7070 1 1 23 PHE HD2 H -1.599 2.202 -20.292 1.00 . A A . 22 PHE HD2 1 1 14 7071 1 1 23 PHE HE1 H 2.607 0.618 -22.400 1.00 . A A . 22 PHE HE1 1 1 14 7072 1 1 23 PHE HE2 H -1.683 0.866 -22.371 1.00 . A A . 22 PHE HE2 1 1 14 7073 1 1 23 PHE HZ H 0.415 0.077 -23.433 1.00 . A A . 22 PHE HZ 1 1 14 7074 1 1 23 PHE N N 1.780 4.814 -17.837 1.00 . A A . 22 PHE N 1 1 14 7075 1 1 23 PHE O O -0.576 5.105 -20.512 1.00 . A A . 22 PHE O 1 1 14 7076 1 1 24 ARG C C -1.057 8.360 -19.551 1.00 . A A . 23 ARG C 1 1 14 7077 1 1 24 ARG CA C -1.544 7.116 -18.843 1.00 . A A . 23 ARG CA 1 1 14 7078 1 1 24 ARG CB C -2.252 7.479 -17.506 1.00 . A A . 23 ARG CB 1 1 14 7079 1 1 24 ARG CD C -4.157 9.035 -16.607 1.00 . A A . 23 ARG CD 1 1 14 7080 1 1 24 ARG CG C -3.670 8.065 -17.729 1.00 . A A . 23 ARG CG 1 1 14 7081 1 1 24 ARG CZ C -5.840 9.238 -14.830 1.00 . A A . 23 ARG CZ 1 1 14 7082 1 1 24 ARG H H 0.045 6.369 -17.698 1.00 . A A . 23 ARG H 1 1 14 7083 1 1 24 ARG HA H -2.280 6.592 -19.473 1.00 . A A . 23 ARG HA 1 1 14 7084 1 1 24 ARG HB2 H -2.377 6.552 -16.937 1.00 . A A . 23 ARG HB2 1 1 14 7085 1 1 24 ARG HB3 H -1.620 8.155 -16.915 1.00 . A A . 23 ARG HB3 1 1 14 7086 1 1 24 ARG HD2 H -3.325 9.302 -15.943 1.00 . A A . 23 ARG HD2 1 1 14 7087 1 1 24 ARG HD3 H -4.494 9.939 -17.133 1.00 . A A . 23 ARG HD3 1 1 14 7088 1 1 24 ARG HE H -5.461 7.528 -15.840 1.00 . A A . 23 ARG HE 1 1 14 7089 1 1 24 ARG HG2 H -3.651 8.625 -18.676 1.00 . A A . 23 ARG HG2 1 1 14 7090 1 1 24 ARG HG3 H -4.368 7.223 -17.865 1.00 . A A . 23 ARG HG3 1 1 14 7091 1 1 24 ARG HH11 H -5.083 11.067 -15.320 1.00 . A A . 23 ARG HH11 1 1 14 7092 1 1 24 ARG HH12 H -6.135 11.046 -13.923 1.00 . A A . 23 ARG HH12 1 1 14 7093 1 1 24 ARG HH21 H -6.885 7.639 -14.104 1.00 . A A . 23 ARG HH21 1 1 14 7094 1 1 24 ARG HH22 H -7.187 9.173 -13.296 1.00 . A A . 23 ARG HH22 1 1 14 7095 1 1 24 ARG N N -0.421 6.233 -18.563 1.00 . A A . 23 ARG N 1 1 14 7096 1 1 24 ARG NE N -5.218 8.520 -15.739 1.00 . A A . 23 ARG NE 1 1 14 7097 1 1 24 ARG NH1 N -5.664 10.526 -14.677 1.00 . A A . 23 ARG NH1 1 1 14 7098 1 1 24 ARG NH2 N -6.689 8.647 -14.028 1.00 . A A . 23 ARG NH2 1 1 14 7099 1 1 24 ARG O O -1.453 8.582 -20.683 1.00 . A A . 23 ARG O 1 1 14 7100 1 1 25 CYS C C 1.515 10.062 -20.382 1.00 . A A . 24 CYS C 1 1 14 7101 1 1 25 CYS CA C 0.286 10.393 -19.569 1.00 . A A . 24 CYS CA 1 1 14 7102 1 1 25 CYS CB C 0.531 11.529 -18.537 1.00 . A A . 24 CYS CB 1 1 14 7103 1 1 25 CYS H H 0.170 8.978 -18.010 1.00 . A A . 24 CYS H 1 1 14 7104 1 1 25 CYS HA H -0.479 10.790 -20.255 1.00 . A A . 24 CYS HA 1 1 14 7105 1 1 25 CYS HB2 H 0.899 12.434 -19.043 1.00 . A A . 24 CYS HB2 1 1 14 7106 1 1 25 CYS HB3 H -0.414 11.768 -18.026 1.00 . A A . 24 CYS HB3 1 1 14 7107 1 1 25 CYS N N -0.202 9.189 -18.909 1.00 . A A . 24 CYS N 1 1 14 7108 1 1 25 CYS O O 1.865 10.864 -21.234 1.00 . A A . 24 CYS O 1 1 14 7109 1 1 25 CYS SG S 1.729 11.085 -17.248 1.00 . A A . 24 CYS SG 1 1 14 7110 1 1 26 GLY C C 4.634 9.102 -20.167 1.00 . A A . 25 GLY C 1 1 14 7111 1 1 26 GLY CA C 3.409 8.611 -20.901 1.00 . A A . 25 GLY CA 1 1 14 7112 1 1 26 GLY H H 1.947 8.249 -19.445 1.00 . A A . 25 GLY H 1 1 14 7113 1 1 26 GLY HA2 H 3.493 7.524 -21.053 1.00 . A A . 25 GLY HA2 1 1 14 7114 1 1 26 GLY HA3 H 3.387 9.072 -21.900 1.00 . A A . 25 GLY HA3 1 1 14 7115 1 1 26 GLY N N 2.194 8.909 -20.155 1.00 . A A . 25 GLY N 1 1 14 7116 1 1 26 GLY O O 5.723 8.643 -20.473 1.00 . A A . 25 GLY O 1 1 14 7117 1 1 27 ALA C C 6.259 9.693 -17.598 1.00 . A A . 26 ALA C 1 1 14 7118 1 1 27 ALA CA C 5.656 10.648 -18.593 1.00 . A A . 26 ALA CA 1 1 14 7119 1 1 27 ALA CB C 5.318 11.976 -17.866 1.00 . A A . 26 ALA CB 1 1 14 7120 1 1 27 ALA H H 3.602 10.382 -18.930 1.00 . A A . 26 ALA H 1 1 14 7121 1 1 27 ALA HA H 6.376 10.880 -19.396 1.00 . A A . 26 ALA HA 1 1 14 7122 1 1 27 ALA HB1 H 4.501 12.510 -18.374 1.00 . A A . 26 ALA HB1 1 1 14 7123 1 1 27 ALA HB2 H 5.018 11.779 -16.824 1.00 . A A . 26 ALA HB2 1 1 14 7124 1 1 27 ALA HB3 H 6.201 12.629 -17.864 1.00 . A A . 26 ALA HB3 1 1 14 7125 1 1 27 ALA N N 4.490 10.050 -19.217 1.00 . A A . 26 ALA N 1 1 14 7126 1 1 27 ALA O O 5.553 8.862 -17.050 1.00 . A A . 26 ALA O 1 1 14 7127 1 1 28 ASP C C 7.883 9.270 -14.968 1.00 . A A . 27 ASP C 1 1 14 7128 1 1 28 ASP CA C 8.200 8.898 -16.399 1.00 . A A . 27 ASP CA 1 1 14 7129 1 1 28 ASP CB C 9.728 8.808 -16.614 1.00 . A A . 27 ASP CB 1 1 14 7130 1 1 28 ASP CG C 10.347 7.859 -15.628 1.00 . A A . 27 ASP CG 1 1 14 7131 1 1 28 ASP H H 8.140 10.474 -17.825 1.00 . A A . 27 ASP H 1 1 14 7132 1 1 28 ASP HA H 7.803 7.905 -16.613 1.00 . A A . 27 ASP HA 1 1 14 7133 1 1 28 ASP HB2 H 9.936 8.461 -17.638 1.00 . A A . 27 ASP HB2 1 1 14 7134 1 1 28 ASP HB3 H 10.174 9.805 -16.475 1.00 . A A . 27 ASP HB3 1 1 14 7135 1 1 28 ASP N N 7.578 9.799 -17.354 1.00 . A A . 27 ASP N 1 1 14 7136 1 1 28 ASP O O 7.619 10.426 -14.680 1.00 . A A . 27 ASP O 1 1 14 7137 1 1 28 ASP OD1 O 9.697 6.836 -15.280 1.00 . A A . 27 ASP OD1 1 1 14 7138 1 1 28 ASP OD2 O 11.474 8.158 -15.150 1.00 . A A . 27 ASP OD2 1 1 14 7139 1 1 29 LYS C C 8.739 9.642 -12.125 1.00 . A A . 28 LYS C 1 1 14 7140 1 1 29 LYS CA C 7.750 8.612 -12.624 1.00 . A A . 28 LYS CA 1 1 14 7141 1 1 29 LYS CB C 7.888 7.327 -11.765 1.00 . A A . 28 LYS CB 1 1 14 7142 1 1 29 LYS CD C 10.075 6.467 -10.682 1.00 . A A . 28 LYS CD 1 1 14 7143 1 1 29 LYS CE C 9.583 5.299 -9.792 1.00 . A A . 28 LYS CE 1 1 14 7144 1 1 29 LYS CG C 9.243 6.593 -11.978 1.00 . A A . 28 LYS CG 1 1 14 7145 1 1 29 LYS H H 8.135 7.351 -14.312 1.00 . A A . 28 LYS H 1 1 14 7146 1 1 29 LYS HA H 6.734 9.014 -12.482 1.00 . A A . 28 LYS HA 1 1 14 7147 1 1 29 LYS HB2 H 7.714 7.581 -10.708 1.00 . A A . 28 LYS HB2 1 1 14 7148 1 1 29 LYS HB3 H 7.093 6.645 -12.079 1.00 . A A . 28 LYS HB3 1 1 14 7149 1 1 29 LYS HD2 H 11.129 6.283 -10.947 1.00 . A A . 28 LYS HD2 1 1 14 7150 1 1 29 LYS HD3 H 10.037 7.420 -10.131 1.00 . A A . 28 LYS HD3 1 1 14 7151 1 1 29 LYS HE2 H 10.102 5.390 -8.824 1.00 . A A . 28 LYS HE2 1 1 14 7152 1 1 29 LYS HE3 H 8.502 5.399 -9.607 1.00 . A A . 28 LYS HE3 1 1 14 7153 1 1 29 LYS HG2 H 9.060 5.595 -12.407 1.00 . A A . 28 LYS HG2 1 1 14 7154 1 1 29 LYS HG3 H 9.874 7.143 -12.686 1.00 . A A . 28 LYS HG3 1 1 14 7155 1 1 29 LYS HZ1 H 10.674 3.978 -11.113 1.00 . A A . 28 LYS HZ1 1 1 14 7156 1 1 29 LYS HZ2 H 9.021 3.545 -10.871 1.00 . A A . 28 LYS HZ2 1 1 14 7157 1 1 29 LYS HZ3 H 10.186 3.268 -9.614 1.00 . A A . 28 LYS HZ3 1 1 14 7158 1 1 29 LYS N N 7.930 8.295 -14.038 1.00 . A A . 28 LYS N 1 1 14 7159 1 1 29 LYS NZ N 9.882 3.970 -10.378 1.00 . A A . 28 LYS NZ 1 1 14 7160 1 1 29 LYS O O 8.451 10.273 -11.122 1.00 . A A . 28 LYS O 1 1 14 7161 1 1 30 PHE C C 10.818 12.022 -13.320 1.00 . A A . 29 PHE C 1 1 14 7162 1 1 30 PHE CA C 10.876 10.826 -12.390 1.00 . A A . 29 PHE CA 1 1 14 7163 1 1 30 PHE CB C 12.283 10.155 -12.385 1.00 . A A . 29 PHE CB 1 1 14 7164 1 1 30 PHE CD1 C 13.214 11.426 -10.402 1.00 . A A . 29 PHE CD1 1 1 14 7165 1 1 30 PHE CD2 C 13.222 9.013 -10.308 1.00 . A A . 29 PHE CD2 1 1 14 7166 1 1 30 PHE CE1 C 13.800 11.477 -9.135 1.00 . A A . 29 PHE CE1 1 1 14 7167 1 1 30 PHE CE2 C 13.816 9.063 -9.045 1.00 . A A . 29 PHE CE2 1 1 14 7168 1 1 30 PHE CG C 12.921 10.195 -10.992 1.00 . A A . 29 PHE CG 1 1 14 7169 1 1 30 PHE CZ C 14.106 10.295 -8.459 1.00 . A A . 29 PHE CZ 1 1 14 7170 1 1 30 PHE H H 10.108 9.327 -13.634 1.00 . A A . 29 PHE H 1 1 14 7171 1 1 30 PHE HA H 10.658 11.203 -11.381 1.00 . A A . 29 PHE HA 1 1 14 7172 1 1 30 PHE HB2 H 12.205 9.103 -12.695 1.00 . A A . 29 PHE HB2 1 1 14 7173 1 1 30 PHE HB3 H 12.971 10.643 -13.090 1.00 . A A . 29 PHE HB3 1 1 14 7174 1 1 30 PHE HD1 H 12.987 12.349 -10.925 1.00 . A A . 29 PHE HD1 1 1 14 7175 1 1 30 PHE HD2 H 13.001 8.046 -10.746 1.00 . A A . 29 PHE HD2 1 1 14 7176 1 1 30 PHE HE1 H 14.016 12.436 -8.678 1.00 . A A . 29 PHE HE1 1 1 14 7177 1 1 30 PHE HE2 H 14.053 8.143 -8.522 1.00 . A A . 29 PHE HE2 1 1 14 7178 1 1 30 PHE HZ H 14.570 10.335 -7.479 1.00 . A A . 29 PHE HZ 1 1 14 7179 1 1 30 PHE N N 9.896 9.829 -12.801 1.00 . A A . 29 PHE N 1 1 14 7180 1 1 30 PHE O O 11.778 12.776 -13.372 1.00 . A A . 29 PHE O 1 1 14 7181 1 1 31 ASP C C 9.010 14.574 -14.291 1.00 . A A . 30 ASP C 1 1 14 7182 1 1 31 ASP CA C 9.617 13.370 -14.970 1.00 . A A . 30 ASP CA 1 1 14 7183 1 1 31 ASP CB C 8.756 12.967 -16.185 1.00 . A A . 30 ASP CB 1 1 14 7184 1 1 31 ASP CG C 8.581 14.106 -17.149 1.00 . A A . 30 ASP CG 1 1 14 7185 1 1 31 ASP H H 8.912 11.621 -14.005 1.00 . A A . 30 ASP H 1 1 14 7186 1 1 31 ASP HA H 10.611 13.643 -15.358 1.00 . A A . 30 ASP HA 1 1 14 7187 1 1 31 ASP HB2 H 9.277 12.142 -16.690 1.00 . A A . 30 ASP HB2 1 1 14 7188 1 1 31 ASP HB3 H 7.759 12.632 -15.866 1.00 . A A . 30 ASP HB3 1 1 14 7189 1 1 31 ASP N N 9.706 12.228 -14.061 1.00 . A A . 30 ASP N 1 1 14 7190 1 1 31 ASP O O 9.356 15.690 -14.641 1.00 . A A . 30 ASP O 1 1 14 7191 1 1 31 ASP OD1 O 7.612 14.891 -16.967 1.00 . A A . 30 ASP OD1 1 1 14 7192 1 1 31 ASP OD2 O 9.398 14.207 -18.104 1.00 . A A . 30 ASP OD2 1 1 14 7193 1 1 32 NH2 HN1 H 7.813 13.504 -13.000 1.00 . A A . 31 NH2 HN1 1 1 14 7194 1 1 32 NH2 HN2 H 7.719 15.222 -12.873 1.00 . A A . 31 NH2 HN2 1 1 14 7195 1 1 32 NH2 N N 8.103 14.408 -13.306 1.00 . A A . 31 NH2 N 1 1 14 7196 2 2 1 ZN ZN ZN 1.159 9.828 -15.320 1.00 . B A . 32 ZN ZN 1 1 15 7197 1 1 1 ACE C C -0.576 -0.923 -0.970 1.00 . A A . 0 ACE C 1 1 15 7198 1 1 1 ACE CH3 C -1.575 -1.084 0.141 1.00 . A A . 0 ACE CH3 1 1 15 7199 1 1 1 ACE H1 H -1.582 -0.176 0.762 1.00 . A A . 0 ACE H1 1 1 15 7200 1 1 1 ACE H2 H -1.292 -1.946 0.765 1.00 . A A . 0 ACE H2 1 1 15 7201 1 1 1 ACE H3 H -2.585 -1.248 -0.263 1.00 . A A . 0 ACE H3 1 1 15 7202 1 1 1 ACE O O -0.943 -0.982 -2.133 1.00 . A A . 0 ACE O 1 1 15 7203 1 1 2 LYS C C 2.244 -1.823 -2.108 1.00 . A A . 1 LYS C 1 1 15 7204 1 1 2 LYS CA C 1.724 -0.490 -1.618 1.00 . A A . 1 LYS CA 1 1 15 7205 1 1 2 LYS CB C 2.865 0.364 -1.007 1.00 . A A . 1 LYS CB 1 1 15 7206 1 1 2 LYS CD C 5.189 1.069 -1.838 1.00 . A A . 1 LYS CD 1 1 15 7207 1 1 2 LYS CE C 5.526 1.980 -0.630 1.00 . A A . 1 LYS CE 1 1 15 7208 1 1 2 LYS CG C 3.674 1.063 -2.128 1.00 . A A . 1 LYS CG 1 1 15 7209 1 1 2 LYS H H 0.971 -0.716 0.360 1.00 . A A . 1 LYS H 1 1 15 7210 1 1 2 LYS HA H 1.286 0.088 -2.447 1.00 . A A . 1 LYS HA 1 1 15 7211 1 1 2 LYS HB2 H 2.429 1.139 -0.359 1.00 . A A . 1 LYS HB2 1 1 15 7212 1 1 2 LYS HB3 H 3.511 -0.268 -0.378 1.00 . A A . 1 LYS HB3 1 1 15 7213 1 1 2 LYS HD2 H 5.522 0.035 -1.649 1.00 . A A . 1 LYS HD2 1 1 15 7214 1 1 2 LYS HD3 H 5.705 1.418 -2.746 1.00 . A A . 1 LYS HD3 1 1 15 7215 1 1 2 LYS HE2 H 4.612 2.403 -0.182 1.00 . A A . 1 LYS HE2 1 1 15 7216 1 1 2 LYS HE3 H 6.037 1.384 0.143 1.00 . A A . 1 LYS HE3 1 1 15 7217 1 1 2 LYS HG2 H 3.557 0.503 -3.062 1.00 . A A . 1 LYS HG2 1 1 15 7218 1 1 2 LYS HG3 H 3.302 2.090 -2.285 1.00 . A A . 1 LYS HG3 1 1 15 7219 1 1 2 LYS HZ1 H 6.636 3.720 -0.200 1.00 . A A . 1 LYS HZ1 1 1 15 7220 1 1 2 LYS HZ2 H 5.902 3.710 -1.789 1.00 . A A . 1 LYS HZ2 1 1 15 7221 1 1 2 LYS HZ3 H 7.324 2.726 -1.464 1.00 . A A . 1 LYS HZ3 1 1 15 7222 1 1 2 LYS N N 0.704 -0.713 -0.604 1.00 . A A . 1 LYS N 1 1 15 7223 1 1 2 LYS NZ N 6.397 3.096 -1.049 1.00 . A A . 1 LYS NZ 1 1 15 7224 1 1 2 LYS O O 3.177 -2.361 -1.531 1.00 . A A . 1 LYS O 1 1 15 7225 1 1 3 PHE C C 3.223 -3.469 -4.710 1.00 . A A . 2 PHE C 1 1 15 7226 1 1 3 PHE CA C 2.117 -3.667 -3.703 1.00 . A A . 2 PHE CA 1 1 15 7227 1 1 3 PHE CB C 0.898 -4.401 -4.322 1.00 . A A . 2 PHE CB 1 1 15 7228 1 1 3 PHE CD1 C 1.070 -6.502 -2.904 1.00 . A A . 2 PHE CD1 1 1 15 7229 1 1 3 PHE CD2 C 0.987 -6.742 -5.305 1.00 . A A . 2 PHE CD2 1 1 15 7230 1 1 3 PHE CE1 C 1.150 -7.888 -2.767 1.00 . A A . 2 PHE CE1 1 1 15 7231 1 1 3 PHE CE2 C 1.043 -8.130 -5.168 1.00 . A A . 2 PHE CE2 1 1 15 7232 1 1 3 PHE CG C 0.995 -5.922 -4.174 1.00 . A A . 2 PHE CG 1 1 15 7233 1 1 3 PHE CZ C 1.127 -8.704 -3.899 1.00 . A A . 2 PHE CZ 1 1 15 7234 1 1 3 PHE H H 0.927 -1.901 -3.676 1.00 . A A . 2 PHE H 1 1 15 7235 1 1 3 PHE HA H 2.536 -4.273 -2.886 1.00 . A A . 2 PHE HA 1 1 15 7236 1 1 3 PHE HB2 H -0.019 -4.114 -3.786 1.00 . A A . 2 PHE HB2 1 1 15 7237 1 1 3 PHE HB3 H 0.767 -4.096 -5.372 1.00 . A A . 2 PHE HB3 1 1 15 7238 1 1 3 PHE HD1 H 1.062 -5.885 -2.013 1.00 . A A . 2 PHE HD1 1 1 15 7239 1 1 3 PHE HD2 H 0.932 -6.306 -6.293 1.00 . A A . 2 PHE HD2 1 1 15 7240 1 1 3 PHE HE1 H 1.227 -8.330 -1.778 1.00 . A A . 2 PHE HE1 1 1 15 7241 1 1 3 PHE HE2 H 1.019 -8.762 -6.050 1.00 . A A . 2 PHE HE2 1 1 15 7242 1 1 3 PHE HZ H 1.175 -9.783 -3.792 1.00 . A A . 2 PHE HZ 1 1 15 7243 1 1 3 PHE N N 1.662 -2.378 -3.190 1.00 . A A . 2 PHE N 1 1 15 7244 1 1 3 PHE O O 3.137 -3.963 -5.822 1.00 . A A . 2 PHE O 1 1 15 7245 1 1 4 GLU C C 4.967 -1.646 -6.382 1.00 . A A . 3 GLU C 1 1 15 7246 1 1 4 GLU CA C 5.403 -2.523 -5.232 1.00 . A A . 3 GLU CA 1 1 15 7247 1 1 4 GLU CB C 5.989 -3.891 -5.682 1.00 . A A . 3 GLU CB 1 1 15 7248 1 1 4 GLU CD C 8.323 -4.933 -5.497 1.00 . A A . 3 GLU CD 1 1 15 7249 1 1 4 GLU CG C 7.488 -3.826 -6.069 1.00 . A A . 3 GLU CG 1 1 15 7250 1 1 4 GLU H H 4.350 -2.373 -3.393 1.00 . A A . 3 GLU H 1 1 15 7251 1 1 4 GLU HA H 6.159 -1.971 -4.649 1.00 . A A . 3 GLU HA 1 1 15 7252 1 1 4 GLU HB2 H 5.864 -4.572 -4.828 1.00 . A A . 3 GLU HB2 1 1 15 7253 1 1 4 GLU HB3 H 5.436 -4.310 -6.537 1.00 . A A . 3 GLU HB3 1 1 15 7254 1 1 4 GLU HG2 H 7.609 -3.902 -7.157 1.00 . A A . 3 GLU HG2 1 1 15 7255 1 1 4 GLU HG3 H 7.932 -2.892 -5.714 1.00 . A A . 3 GLU HG3 1 1 15 7256 1 1 4 GLU N N 4.290 -2.744 -4.320 1.00 . A A . 3 GLU N 1 1 15 7257 1 1 4 GLU O O 4.918 -2.078 -7.523 1.00 . A A . 3 GLU O 1 1 15 7258 1 1 4 GLU OE1 O 7.786 -6.050 -5.278 1.00 . A A . 3 GLU OE1 1 1 15 7259 1 1 4 GLU OE2 O 9.537 -4.675 -5.276 1.00 . A A . 3 GLU OE2 1 1 15 7260 1 1 5 ASP C C 4.535 1.958 -6.757 1.00 . A A . 4 ASP C 1 1 15 7261 1 1 5 ASP CA C 4.183 0.541 -7.119 1.00 . A A . 4 ASP CA 1 1 15 7262 1 1 5 ASP CB C 2.663 0.342 -7.335 1.00 . A A . 4 ASP CB 1 1 15 7263 1 1 5 ASP CG C 1.881 0.353 -6.059 1.00 . A A . 4 ASP CG 1 1 15 7264 1 1 5 ASP H H 4.651 -0.026 -5.144 1.00 . A A . 4 ASP H 1 1 15 7265 1 1 5 ASP HA H 4.721 0.367 -8.059 1.00 . A A . 4 ASP HA 1 1 15 7266 1 1 5 ASP HB2 H 2.249 1.111 -7.993 1.00 . A A . 4 ASP HB2 1 1 15 7267 1 1 5 ASP HB3 H 2.478 -0.634 -7.796 1.00 . A A . 4 ASP HB3 1 1 15 7268 1 1 5 ASP N N 4.646 -0.371 -6.083 1.00 . A A . 4 ASP N 1 1 15 7269 1 1 5 ASP O O 5.142 2.172 -5.719 1.00 . A A . 4 ASP O 1 1 15 7270 1 1 5 ASP OD1 O 2.350 0.972 -5.070 1.00 . A A . 4 ASP OD1 1 1 15 7271 1 1 5 ASP OD2 O 0.789 -0.279 -6.039 1.00 . A A . 4 ASP OD2 1 1 15 7272 1 1 6 TRP C C 3.353 5.186 -7.905 1.00 . A A . 5 TRP C 1 1 15 7273 1 1 6 TRP CA C 4.444 4.322 -7.330 1.00 . A A . 5 TRP CA 1 1 15 7274 1 1 6 TRP CB C 5.800 4.716 -7.950 1.00 . A A . 5 TRP CB 1 1 15 7275 1 1 6 TRP CD1 C 6.440 3.101 -9.815 1.00 . A A . 5 TRP CD1 1 1 15 7276 1 1 6 TRP CD2 C 5.472 5.002 -10.589 1.00 . A A . 5 TRP CD2 1 1 15 7277 1 1 6 TRP CE2 C 5.838 4.175 -11.632 1.00 . A A . 5 TRP CE2 1 1 15 7278 1 1 6 TRP CE3 C 4.871 6.249 -10.779 1.00 . A A . 5 TRP CE3 1 1 15 7279 1 1 6 TRP CG C 5.910 4.251 -9.374 1.00 . A A . 5 TRP CG 1 1 15 7280 1 1 6 TRP CH2 C 5.068 5.812 -13.164 1.00 . A A . 5 TRP CH2 1 1 15 7281 1 1 6 TRP CZ2 C 5.655 4.560 -12.953 1.00 . A A . 5 TRP CZ2 1 1 15 7282 1 1 6 TRP CZ3 C 4.687 6.637 -12.100 1.00 . A A . 5 TRP CZ3 1 1 15 7283 1 1 6 TRP H H 3.756 2.727 -8.514 1.00 . A A . 5 TRP H 1 1 15 7284 1 1 6 TRP HA H 4.463 4.492 -6.242 1.00 . A A . 5 TRP HA 1 1 15 7285 1 1 6 TRP HB2 H 5.940 5.806 -7.925 1.00 . A A . 5 TRP HB2 1 1 15 7286 1 1 6 TRP HB3 H 6.600 4.246 -7.361 1.00 . A A . 5 TRP HB3 1 1 15 7287 1 1 6 TRP HD1 H 6.828 2.402 -9.086 1.00 . A A . 5 TRP HD1 1 1 15 7288 1 1 6 TRP HE1 H 6.733 2.262 -11.698 1.00 . A A . 5 TRP HE1 1 1 15 7289 1 1 6 TRP HE3 H 4.591 6.868 -9.941 1.00 . A A . 5 TRP HE3 1 1 15 7290 1 1 6 TRP HH2 H 4.921 6.168 -14.164 1.00 . A A . 5 TRP HH2 1 1 15 7291 1 1 6 TRP HZ2 H 5.959 3.961 -13.796 1.00 . A A . 5 TRP HZ2 1 1 15 7292 1 1 6 TRP HZ3 H 4.263 7.600 -12.326 1.00 . A A . 5 TRP HZ3 1 1 15 7293 1 1 6 TRP N N 4.176 2.928 -7.626 1.00 . A A . 5 TRP N 1 1 15 7294 1 1 6 TRP NE1 N 6.387 3.048 -11.122 1.00 . A A . 5 TRP NE1 1 1 15 7295 1 1 6 TRP O O 2.601 4.700 -8.734 1.00 . A A . 5 TRP O 1 1 15 7296 1 1 7 LEU C C 2.837 8.419 -8.815 1.00 . A A . 6 LEU C 1 1 15 7297 1 1 7 LEU CA C 2.257 7.386 -7.887 1.00 . A A . 6 LEU CA 1 1 15 7298 1 1 7 LEU CB C 1.582 8.034 -6.654 1.00 . A A . 6 LEU CB 1 1 15 7299 1 1 7 LEU CD1 C -0.253 9.190 -7.989 1.00 . A A . 6 LEU CD1 1 1 15 7300 1 1 7 LEU CD2 C 0.323 9.981 -5.647 1.00 . A A . 6 LEU CD2 1 1 15 7301 1 1 7 LEU CG C 0.885 9.385 -6.959 1.00 . A A . 6 LEU CG 1 1 15 7302 1 1 7 LEU H H 3.967 6.803 -6.800 1.00 . A A . 6 LEU H 1 1 15 7303 1 1 7 LEU HA H 1.467 6.851 -8.409 1.00 . A A . 6 LEU HA 1 1 15 7304 1 1 7 LEU HB2 H 0.845 7.318 -6.253 1.00 . A A . 6 LEU HB2 1 1 15 7305 1 1 7 LEU HB3 H 2.335 8.219 -5.875 1.00 . A A . 6 LEU HB3 1 1 15 7306 1 1 7 LEU HD11 H -0.625 8.158 -8.028 1.00 . A A . 6 LEU HD11 1 1 15 7307 1 1 7 LEU HD12 H 0.113 9.451 -8.986 1.00 . A A . 6 LEU HD12 1 1 15 7308 1 1 7 LEU HD13 H -1.096 9.843 -7.733 1.00 . A A . 6 LEU HD13 1 1 15 7309 1 1 7 LEU HD21 H -0.206 10.927 -5.845 1.00 . A A . 6 LEU HD21 1 1 15 7310 1 1 7 LEU HD22 H 1.148 10.193 -4.950 1.00 . A A . 6 LEU HD22 1 1 15 7311 1 1 7 LEU HD23 H -0.373 9.269 -5.183 1.00 . A A . 6 LEU HD23 1 1 15 7312 1 1 7 LEU HG H 1.610 10.126 -7.336 1.00 . A A . 6 LEU HG 1 1 15 7313 1 1 7 LEU N N 3.291 6.458 -7.449 1.00 . A A . 6 LEU N 1 1 15 7314 1 1 7 LEU O O 3.830 9.038 -8.466 1.00 . A A . 6 LEU O 1 1 15 7315 1 1 8 CYS C C 2.472 11.034 -10.403 1.00 . A A . 7 CYS C 1 1 15 7316 1 1 8 CYS CA C 2.726 9.629 -10.908 1.00 . A A . 7 CYS CA 1 1 15 7317 1 1 8 CYS CB C 2.039 9.429 -12.278 1.00 . A A . 7 CYS CB 1 1 15 7318 1 1 8 CYS H H 1.437 8.070 -10.305 1.00 . A A . 7 CYS H 1 1 15 7319 1 1 8 CYS HA H 3.806 9.474 -11.029 1.00 . A A . 7 CYS HA 1 1 15 7320 1 1 8 CYS HB2 H 2.188 8.419 -12.681 1.00 . A A . 7 CYS HB2 1 1 15 7321 1 1 8 CYS HB3 H 0.961 9.607 -12.198 1.00 . A A . 7 CYS HB3 1 1 15 7322 1 1 8 CYS N N 2.229 8.609 -10.004 1.00 . A A . 7 CYS N 1 1 15 7323 1 1 8 CYS O O 1.434 11.302 -9.823 1.00 . A A . 7 CYS O 1 1 15 7324 1 1 8 CYS SG S 2.778 10.578 -13.453 1.00 . A A . 7 CYS SG 1 1 15 7325 1 1 9 ASN C C 2.704 14.216 -11.344 1.00 . A A . 8 ASN C 1 1 15 7326 1 1 9 ASN CA C 3.258 13.360 -10.230 1.00 . A A . 8 ASN CA 1 1 15 7327 1 1 9 ASN CB C 4.617 13.910 -9.724 1.00 . A A . 8 ASN CB 1 1 15 7328 1 1 9 ASN CG C 5.746 13.536 -10.652 1.00 . A A . 8 ASN CG 1 1 15 7329 1 1 9 ASN H H 4.205 11.725 -11.217 1.00 . A A . 8 ASN H 1 1 15 7330 1 1 9 ASN HA H 2.549 13.442 -9.390 1.00 . A A . 8 ASN HA 1 1 15 7331 1 1 9 ASN HB2 H 4.595 15.004 -9.612 1.00 . A A . 8 ASN HB2 1 1 15 7332 1 1 9 ASN HB3 H 4.786 13.473 -8.730 1.00 . A A . 8 ASN HB3 1 1 15 7333 1 1 9 ASN HD21 H 7.072 13.166 -9.128 1.00 . A A . 8 ASN HD21 1 1 15 7334 1 1 9 ASN HD22 H 7.673 12.897 -10.727 1.00 . A A . 8 ASN HD22 1 1 15 7335 1 1 9 ASN N N 3.415 11.967 -10.654 1.00 . A A . 8 ASN N 1 1 15 7336 1 1 9 ASN ND2 N 6.930 13.177 -10.117 1.00 . A A . 8 ASN ND2 1 1 15 7337 1 1 9 ASN O O 3.033 15.387 -11.431 1.00 . A A . 8 ASN O 1 1 15 7338 1 1 9 ASN OD1 O 5.557 13.542 -11.857 1.00 . A A . 8 ASN OD1 1 1 15 7339 1 1 10 LYS C C -0.181 13.988 -13.491 1.00 . A A . 9 LYS C 1 1 15 7340 1 1 10 LYS CA C 1.271 14.368 -13.323 1.00 . A A . 9 LYS CA 1 1 15 7341 1 1 10 LYS CB C 2.050 14.034 -14.625 1.00 . A A . 9 LYS CB 1 1 15 7342 1 1 10 LYS CD C 3.740 15.905 -14.878 1.00 . A A . 9 LYS CD 1 1 15 7343 1 1 10 LYS CE C 3.967 17.324 -15.448 1.00 . A A . 9 LYS CE 1 1 15 7344 1 1 10 LYS CG C 2.417 15.310 -15.416 1.00 . A A . 9 LYS CG 1 1 15 7345 1 1 10 LYS H H 1.608 12.678 -12.095 1.00 . A A . 9 LYS H 1 1 15 7346 1 1 10 LYS HA H 1.296 15.446 -13.103 1.00 . A A . 9 LYS HA 1 1 15 7347 1 1 10 LYS HB2 H 2.968 13.476 -14.381 1.00 . A A . 9 LYS HB2 1 1 15 7348 1 1 10 LYS HB3 H 1.441 13.404 -15.288 1.00 . A A . 9 LYS HB3 1 1 15 7349 1 1 10 LYS HD2 H 3.715 15.970 -13.781 1.00 . A A . 9 LYS HD2 1 1 15 7350 1 1 10 LYS HD3 H 4.570 15.246 -15.176 1.00 . A A . 9 LYS HD3 1 1 15 7351 1 1 10 LYS HE2 H 3.880 17.286 -16.547 1.00 . A A . 9 LYS HE2 1 1 15 7352 1 1 10 LYS HE3 H 3.170 17.980 -15.062 1.00 . A A . 9 LYS HE3 1 1 15 7353 1 1 10 LYS HG2 H 2.565 15.052 -16.476 1.00 . A A . 9 LYS HG2 1 1 15 7354 1 1 10 LYS HG3 H 1.595 16.041 -15.357 1.00 . A A . 9 LYS HG3 1 1 15 7355 1 1 10 LYS HZ1 H 5.942 17.947 -15.917 1.00 . A A . 9 LYS HZ1 1 1 15 7356 1 1 10 LYS HZ2 H 5.798 17.229 -14.335 1.00 . A A . 9 LYS HZ2 1 1 15 7357 1 1 10 LYS HZ3 H 5.205 18.828 -14.600 1.00 . A A . 9 LYS HZ3 1 1 15 7358 1 1 10 LYS N N 1.839 13.635 -12.199 1.00 . A A . 9 LYS N 1 1 15 7359 1 1 10 LYS NZ N 5.292 17.854 -15.057 1.00 . A A . 9 LYS NZ 1 1 15 7360 1 1 10 LYS O O -1.032 14.858 -13.404 1.00 . A A . 9 LYS O 1 1 15 7361 1 1 11 CYS C C -2.372 11.704 -12.521 1.00 . A A . 10 CYS C 1 1 15 7362 1 1 11 CYS CA C -1.876 12.271 -13.828 1.00 . A A . 10 CYS CA 1 1 15 7363 1 1 11 CYS CB C -2.061 11.236 -14.950 1.00 . A A . 10 CYS CB 1 1 15 7364 1 1 11 CYS H H 0.231 12.002 -13.802 1.00 . A A . 10 CYS H 1 1 15 7365 1 1 11 CYS HA H -2.526 13.106 -14.122 1.00 . A A . 10 CYS HA 1 1 15 7366 1 1 11 CYS HB2 H -3.092 10.862 -15.014 1.00 . A A . 10 CYS HB2 1 1 15 7367 1 1 11 CYS HB3 H -1.778 11.691 -15.901 1.00 . A A . 10 CYS HB3 1 1 15 7368 1 1 11 CYS N N -0.483 12.695 -13.733 1.00 . A A . 10 CYS N 1 1 15 7369 1 1 11 CYS O O -3.532 11.330 -12.443 1.00 . A A . 10 CYS O 1 1 15 7370 1 1 11 CYS SG S -0.991 9.841 -14.653 1.00 . A A . 10 CYS SG 1 1 15 7371 1 1 12 CYS C C -2.307 9.640 -10.274 1.00 . A A . 11 CYS C 1 1 15 7372 1 1 12 CYS CA C -1.988 11.122 -10.193 1.00 . A A . 11 CYS CA 1 1 15 7373 1 1 12 CYS CB C -3.174 11.960 -9.649 1.00 . A A . 11 CYS CB 1 1 15 7374 1 1 12 CYS H H -0.561 11.872 -11.526 1.00 . A A . 11 CYS H 1 1 15 7375 1 1 12 CYS HA H -1.161 11.299 -9.497 1.00 . A A . 11 CYS HA 1 1 15 7376 1 1 12 CYS HB2 H -3.422 12.762 -10.358 1.00 . A A . 11 CYS HB2 1 1 15 7377 1 1 12 CYS HB3 H -4.063 11.330 -9.502 1.00 . A A . 11 CYS HB3 1 1 15 7378 1 1 12 CYS HG H -3.627 13.292 -7.956 1.00 . A A . 11 CYS HG 1 1 15 7379 1 1 12 CYS N N -1.524 11.624 -11.474 1.00 . A A . 11 CYS N 1 1 15 7380 1 1 12 CYS O O -2.939 9.115 -9.370 1.00 . A A . 11 CYS O 1 1 15 7381 1 1 12 CYS SG S -2.765 12.781 -8.071 1.00 . A A . 11 CYS SG 1 1 15 7382 1 1 13 LEU C C -1.142 6.663 -11.035 1.00 . A A . 12 LEU C 1 1 15 7383 1 1 13 LEU CA C -2.251 7.549 -11.538 1.00 . A A . 12 LEU CA 1 1 15 7384 1 1 13 LEU CB C -2.509 7.271 -13.040 1.00 . A A . 12 LEU CB 1 1 15 7385 1 1 13 LEU CD1 C -4.488 6.123 -14.164 1.00 . A A . 12 LEU CD1 1 1 15 7386 1 1 13 LEU CD2 C -2.315 4.827 -13.903 1.00 . A A . 12 LEU CD2 1 1 15 7387 1 1 13 LEU CG C -3.238 5.912 -13.281 1.00 . A A . 12 LEU CG 1 1 15 7388 1 1 13 LEU H H -1.322 9.345 -12.060 1.00 . A A . 12 LEU H 1 1 15 7389 1 1 13 LEU HA H -3.200 7.374 -11.009 1.00 . A A . 12 LEU HA 1 1 15 7390 1 1 13 LEU HB2 H -3.132 8.107 -13.391 1.00 . A A . 12 LEU HB2 1 1 15 7391 1 1 13 LEU HB3 H -1.555 7.319 -13.584 1.00 . A A . 12 LEU HB3 1 1 15 7392 1 1 13 LEU HD11 H -5.060 5.194 -14.300 1.00 . A A . 12 LEU HD11 1 1 15 7393 1 1 13 LEU HD12 H -4.146 6.443 -15.144 1.00 . A A . 12 LEU HD12 1 1 15 7394 1 1 13 LEU HD13 H -5.151 6.896 -13.743 1.00 . A A . 12 LEU HD13 1 1 15 7395 1 1 13 LEU HD21 H -1.259 5.042 -13.712 1.00 . A A . 12 LEU HD21 1 1 15 7396 1 1 13 LEU HD22 H -2.449 4.727 -14.986 1.00 . A A . 12 LEU HD22 1 1 15 7397 1 1 13 LEU HD23 H -2.546 3.846 -13.469 1.00 . A A . 12 LEU HD23 1 1 15 7398 1 1 13 LEU HG H -3.623 5.515 -12.331 1.00 . A A . 12 LEU HG 1 1 15 7399 1 1 13 LEU N N -1.884 8.941 -11.351 1.00 . A A . 12 LEU N 1 1 15 7400 1 1 13 LEU O O 0.020 6.933 -11.302 1.00 . A A . 12 LEU O 1 1 15 7401 1 1 14 ASN C C -0.023 3.712 -10.773 1.00 . A A . 13 ASN C 1 1 15 7402 1 1 14 ASN CA C -0.511 4.696 -9.749 1.00 . A A . 13 ASN CA 1 1 15 7403 1 1 14 ASN CB C -1.058 3.971 -8.498 1.00 . A A . 13 ASN CB 1 1 15 7404 1 1 14 ASN CG C -0.267 2.735 -8.178 1.00 . A A . 13 ASN CG 1 1 15 7405 1 1 14 ASN H H -2.470 5.412 -10.100 1.00 . A A . 13 ASN H 1 1 15 7406 1 1 14 ASN HA H 0.350 5.284 -9.446 1.00 . A A . 13 ASN HA 1 1 15 7407 1 1 14 ASN HB2 H -1.042 4.666 -7.644 1.00 . A A . 13 ASN HB2 1 1 15 7408 1 1 14 ASN HB3 H -2.099 3.656 -8.662 1.00 . A A . 13 ASN HB3 1 1 15 7409 1 1 14 ASN HD21 H -1.342 1.548 -9.468 1.00 . A A . 13 ASN HD21 1 1 15 7410 1 1 14 ASN HD22 H -0.105 0.743 -8.574 1.00 . A A . 13 ASN HD22 1 1 15 7411 1 1 14 ASN N N -1.509 5.601 -10.291 1.00 . A A . 13 ASN N 1 1 15 7412 1 1 14 ASN ND2 N -0.597 1.584 -8.802 1.00 . A A . 13 ASN ND2 1 1 15 7413 1 1 14 ASN O O -0.782 3.365 -11.663 1.00 . A A . 13 ASN O 1 1 15 7414 1 1 14 ASN OD1 O 0.639 2.818 -7.367 1.00 . A A . 13 ASN OD1 1 1 15 7415 1 1 15 ASN C C 2.733 1.339 -10.938 1.00 . A A . 14 ASN C 1 1 15 7416 1 1 15 ASN CA C 1.764 2.287 -11.588 1.00 . A A . 14 ASN CA 1 1 15 7417 1 1 15 ASN CB C 2.546 2.982 -12.716 1.00 . A A . 14 ASN CB 1 1 15 7418 1 1 15 ASN CG C 1.598 3.791 -13.548 1.00 . A A . 14 ASN CG 1 1 15 7419 1 1 15 ASN H H 1.859 3.566 -9.916 1.00 . A A . 14 ASN H 1 1 15 7420 1 1 15 ASN HA H 0.924 1.708 -11.989 1.00 . A A . 14 ASN HA 1 1 15 7421 1 1 15 ASN HB2 H 3.300 3.618 -12.243 1.00 . A A . 14 ASN HB2 1 1 15 7422 1 1 15 ASN HB3 H 3.072 2.244 -13.328 1.00 . A A . 14 ASN HB3 1 1 15 7423 1 1 15 ASN HD21 H 2.311 5.610 -12.865 1.00 . A A . 14 ASN HD21 1 1 15 7424 1 1 15 ASN HD22 H 0.934 5.640 -13.883 1.00 . A A . 14 ASN HD22 1 1 15 7425 1 1 15 ASN N N 1.242 3.252 -10.641 1.00 . A A . 14 ASN N 1 1 15 7426 1 1 15 ASN ND2 N 1.638 5.124 -13.421 1.00 . A A . 14 ASN ND2 1 1 15 7427 1 1 15 ASN O O 3.456 1.734 -10.038 1.00 . A A . 14 ASN O 1 1 15 7428 1 1 15 ASN OD1 O 0.818 3.221 -14.298 1.00 . A A . 14 ASN OD1 1 1 15 7429 1 1 16 PHE C C 5.047 -0.477 -10.837 1.00 . A A . 15 PHE C 1 1 15 7430 1 1 16 PHE CA C 3.608 -0.935 -10.869 1.00 . A A . 15 PHE CA 1 1 15 7431 1 1 16 PHE CB C 3.474 -2.292 -11.618 1.00 . A A . 15 PHE CB 1 1 15 7432 1 1 16 PHE CD1 C 1.373 -3.379 -10.698 1.00 . A A . 15 PHE CD1 1 1 15 7433 1 1 16 PHE CD2 C 3.515 -4.275 -10.030 1.00 . A A . 15 PHE CD2 1 1 15 7434 1 1 16 PHE CE1 C 0.727 -4.368 -9.955 1.00 . A A . 15 PHE CE1 1 1 15 7435 1 1 16 PHE CE2 C 2.870 -5.265 -9.286 1.00 . A A . 15 PHE CE2 1 1 15 7436 1 1 16 PHE CG C 2.769 -3.343 -10.755 1.00 . A A . 15 PHE CG 1 1 15 7437 1 1 16 PHE CZ C 1.476 -5.319 -9.260 1.00 . A A . 15 PHE CZ 1 1 15 7438 1 1 16 PHE H H 2.112 -0.177 -12.161 1.00 . A A . 15 PHE H 1 1 15 7439 1 1 16 PHE HA H 3.276 -1.105 -9.841 1.00 . A A . 15 PHE HA 1 1 15 7440 1 1 16 PHE HB2 H 2.923 -2.206 -12.565 1.00 . A A . 15 PHE HB2 1 1 15 7441 1 1 16 PHE HB3 H 4.464 -2.673 -11.887 1.00 . A A . 15 PHE HB3 1 1 15 7442 1 1 16 PHE HD1 H 0.784 -2.641 -11.233 1.00 . A A . 15 PHE HD1 1 1 15 7443 1 1 16 PHE HD2 H 4.600 -4.243 -10.038 1.00 . A A . 15 PHE HD2 1 1 15 7444 1 1 16 PHE HE1 H -0.357 -4.402 -9.918 1.00 . A A . 15 PHE HE1 1 1 15 7445 1 1 16 PHE HE2 H 3.452 -5.994 -8.730 1.00 . A A . 15 PHE HE2 1 1 15 7446 1 1 16 PHE HZ H 0.972 -6.100 -8.702 1.00 . A A . 15 PHE HZ 1 1 15 7447 1 1 16 PHE N N 2.735 0.083 -11.429 1.00 . A A . 15 PHE N 1 1 15 7448 1 1 16 PHE O O 5.482 0.280 -11.690 1.00 . A A . 15 PHE O 1 1 15 7449 1 1 17 ARG C C 8.007 -1.088 -10.996 1.00 . A A . 16 ARG C 1 1 15 7450 1 1 17 ARG CA C 7.243 -0.609 -9.796 1.00 . A A . 16 ARG CA 1 1 15 7451 1 1 17 ARG CB C 7.944 -1.156 -8.532 1.00 . A A . 16 ARG CB 1 1 15 7452 1 1 17 ARG CD C 9.215 -0.568 -6.405 1.00 . A A . 16 ARG CD 1 1 15 7453 1 1 17 ARG CG C 8.216 -0.057 -7.481 1.00 . A A . 16 ARG CG 1 1 15 7454 1 1 17 ARG CZ C 11.155 0.229 -5.165 1.00 . A A . 16 ARG CZ 1 1 15 7455 1 1 17 ARG H H 5.438 -1.596 -9.178 1.00 . A A . 16 ARG H 1 1 15 7456 1 1 17 ARG HA H 7.355 0.468 -9.878 1.00 . A A . 16 ARG HA 1 1 15 7457 1 1 17 ARG HB2 H 7.320 -1.905 -8.048 1.00 . A A . 16 ARG HB2 1 1 15 7458 1 1 17 ARG HB3 H 8.879 -1.648 -8.836 1.00 . A A . 16 ARG HB3 1 1 15 7459 1 1 17 ARG HD2 H 8.624 -0.666 -5.483 1.00 . A A . 16 ARG HD2 1 1 15 7460 1 1 17 ARG HD3 H 9.652 -1.541 -6.679 1.00 . A A . 16 ARG HD3 1 1 15 7461 1 1 17 ARG HE H 10.498 1.083 -6.874 1.00 . A A . 16 ARG HE 1 1 15 7462 1 1 17 ARG HG2 H 8.612 0.826 -7.995 1.00 . A A . 16 ARG HG2 1 1 15 7463 1 1 17 ARG HG3 H 7.265 0.236 -7.005 1.00 . A A . 16 ARG HG3 1 1 15 7464 1 1 17 ARG HH11 H 10.354 -1.458 -4.320 1.00 . A A . 16 ARG HH11 1 1 15 7465 1 1 17 ARG HH12 H 11.707 -0.746 -3.464 1.00 . A A . 16 ARG HH12 1 1 15 7466 1 1 17 ARG HH21 H 12.233 1.869 -5.739 1.00 . A A . 16 ARG HH21 1 1 15 7467 1 1 17 ARG HH22 H 12.773 1.080 -4.262 1.00 . A A . 16 ARG HH22 1 1 15 7468 1 1 17 ARG N N 5.826 -0.960 -9.851 1.00 . A A . 16 ARG N 1 1 15 7469 1 1 17 ARG NE N 10.345 0.332 -6.190 1.00 . A A . 16 ARG NE 1 1 15 7470 1 1 17 ARG NH1 N 11.058 -0.712 -4.260 1.00 . A A . 16 ARG NH1 1 1 15 7471 1 1 17 ARG NH2 N 12.112 1.115 -5.049 1.00 . A A . 16 ARG NH2 1 1 15 7472 1 1 17 ARG O O 9.034 -0.523 -11.338 1.00 . A A . 16 ARG O 1 1 15 7473 1 1 18 LYS C C 7.914 -1.679 -14.005 1.00 . A A . 17 LYS C 1 1 15 7474 1 1 18 LYS CA C 8.092 -2.634 -12.853 1.00 . A A . 17 LYS CA 1 1 15 7475 1 1 18 LYS CB C 7.432 -3.991 -13.232 1.00 . A A . 17 LYS CB 1 1 15 7476 1 1 18 LYS CD C 8.015 -6.419 -13.690 1.00 . A A . 17 LYS CD 1 1 15 7477 1 1 18 LYS CE C 9.274 -7.282 -14.000 1.00 . A A . 17 LYS CE 1 1 15 7478 1 1 18 LYS CG C 8.365 -5.164 -12.855 1.00 . A A . 17 LYS CG 1 1 15 7479 1 1 18 LYS H H 6.671 -2.580 -11.277 1.00 . A A . 17 LYS H 1 1 15 7480 1 1 18 LYS HA H 9.178 -2.696 -12.689 1.00 . A A . 17 LYS HA 1 1 15 7481 1 1 18 LYS HB2 H 6.449 -4.179 -12.772 1.00 . A A . 17 LYS HB2 1 1 15 7482 1 1 18 LYS HB3 H 7.259 -3.960 -14.316 1.00 . A A . 17 LYS HB3 1 1 15 7483 1 1 18 LYS HD2 H 7.220 -6.958 -13.154 1.00 . A A . 17 LYS HD2 1 1 15 7484 1 1 18 LYS HD3 H 7.593 -6.140 -14.668 1.00 . A A . 17 LYS HD3 1 1 15 7485 1 1 18 LYS HE2 H 9.353 -7.374 -15.096 1.00 . A A . 17 LYS HE2 1 1 15 7486 1 1 18 LYS HE3 H 10.216 -6.811 -13.672 1.00 . A A . 17 LYS HE3 1 1 15 7487 1 1 18 LYS HG2 H 9.395 -4.858 -13.069 1.00 . A A . 17 LYS HG2 1 1 15 7488 1 1 18 LYS HG3 H 8.287 -5.386 -11.777 1.00 . A A . 17 LYS HG3 1 1 15 7489 1 1 18 LYS HZ1 H 9.803 -8.657 -12.482 1.00 . A A . 17 LYS HZ1 1 1 15 7490 1 1 18 LYS HZ2 H 9.633 -9.353 -14.079 1.00 . A A . 17 LYS HZ2 1 1 15 7491 1 1 18 LYS HZ3 H 8.230 -8.984 -13.148 1.00 . A A . 17 LYS HZ3 1 1 15 7492 1 1 18 LYS N N 7.488 -2.145 -11.631 1.00 . A A . 17 LYS N 1 1 15 7493 1 1 18 LYS NZ N 9.220 -8.628 -13.392 1.00 . A A . 17 LYS NZ 1 1 15 7494 1 1 18 LYS O O 8.643 -1.774 -14.981 1.00 . A A . 17 LYS O 1 1 15 7495 1 1 19 ARG C C 7.848 1.085 -15.158 1.00 . A A . 18 ARG C 1 1 15 7496 1 1 19 ARG CA C 6.682 0.127 -15.029 1.00 . A A . 18 ARG CA 1 1 15 7497 1 1 19 ARG CB C 5.357 0.922 -14.834 1.00 . A A . 18 ARG CB 1 1 15 7498 1 1 19 ARG CD C 3.246 -0.088 -15.852 1.00 . A A . 18 ARG CD 1 1 15 7499 1 1 19 ARG CG C 4.421 0.905 -16.070 1.00 . A A . 18 ARG CG 1 1 15 7500 1 1 19 ARG CZ C 1.057 -0.102 -14.742 1.00 . A A . 18 ARG CZ 1 1 15 7501 1 1 19 ARG H H 6.375 -0.682 -13.096 1.00 . A A . 18 ARG H 1 1 15 7502 1 1 19 ARG HA H 6.603 -0.522 -15.914 1.00 . A A . 18 ARG HA 1 1 15 7503 1 1 19 ARG HB2 H 4.769 0.577 -13.975 1.00 . A A . 18 ARG HB2 1 1 15 7504 1 1 19 ARG HB3 H 5.623 1.955 -14.613 1.00 . A A . 18 ARG HB3 1 1 15 7505 1 1 19 ARG HD2 H 2.924 -0.466 -16.833 1.00 . A A . 18 ARG HD2 1 1 15 7506 1 1 19 ARG HD3 H 3.642 -0.930 -15.261 1.00 . A A . 18 ARG HD3 1 1 15 7507 1 1 19 ARG HE H 2.051 1.581 -15.221 1.00 . A A . 18 ARG HE 1 1 15 7508 1 1 19 ARG HG2 H 4.027 1.916 -16.231 1.00 . A A . 18 ARG HG2 1 1 15 7509 1 1 19 ARG HG3 H 4.976 0.639 -16.982 1.00 . A A . 18 ARG HG3 1 1 15 7510 1 1 19 ARG HH11 H 1.691 -1.987 -15.210 1.00 . A A . 18 ARG HH11 1 1 15 7511 1 1 19 ARG HH12 H 0.156 -1.890 -14.368 1.00 . A A . 18 ARG HH12 1 1 15 7512 1 1 19 ARG HH21 H 0.082 1.611 -14.183 1.00 . A A . 18 ARG HH21 1 1 15 7513 1 1 19 ARG HH22 H -0.735 0.102 -13.783 1.00 . A A . 18 ARG HH22 1 1 15 7514 1 1 19 ARG N N 6.933 -0.765 -13.915 1.00 . A A . 18 ARG N 1 1 15 7515 1 1 19 ARG NE N 2.076 0.553 -15.241 1.00 . A A . 18 ARG NE 1 1 15 7516 1 1 19 ARG NH1 N 0.971 -1.407 -14.766 1.00 . A A . 18 ARG NH1 1 1 15 7517 1 1 19 ARG NH2 N 0.077 0.577 -14.199 1.00 . A A . 18 ARG NH2 1 1 15 7518 1 1 19 ARG O O 8.188 1.745 -14.189 1.00 . A A . 18 ARG O 1 1 15 7519 1 1 20 LEU C C 8.960 3.480 -16.953 1.00 . A A . 19 LEU C 1 1 15 7520 1 1 20 LEU CA C 9.535 2.141 -16.574 1.00 . A A . 19 LEU CA 1 1 15 7521 1 1 20 LEU CB C 10.401 1.652 -17.762 1.00 . A A . 19 LEU CB 1 1 15 7522 1 1 20 LEU CD1 C 11.290 -0.511 -18.751 1.00 . A A . 19 LEU CD1 1 1 15 7523 1 1 20 LEU CD2 C 12.514 0.575 -16.744 1.00 . A A . 19 LEU CD2 1 1 15 7524 1 1 20 LEU CG C 11.145 0.321 -17.446 1.00 . A A . 19 LEU CG 1 1 15 7525 1 1 20 LEU H H 8.126 0.668 -17.149 1.00 . A A . 19 LEU H 1 1 15 7526 1 1 20 LEU HA H 10.166 2.259 -15.680 1.00 . A A . 19 LEU HA 1 1 15 7527 1 1 20 LEU HB2 H 9.725 1.523 -18.621 1.00 . A A . 19 LEU HB2 1 1 15 7528 1 1 20 LEU HB3 H 11.124 2.428 -18.055 1.00 . A A . 19 LEU HB3 1 1 15 7529 1 1 20 LEU HD11 H 10.361 -1.082 -18.917 1.00 . A A . 19 LEU HD11 1 1 15 7530 1 1 20 LEU HD12 H 12.116 -1.234 -18.705 1.00 . A A . 19 LEU HD12 1 1 15 7531 1 1 20 LEU HD13 H 11.455 0.149 -19.615 1.00 . A A . 19 LEU HD13 1 1 15 7532 1 1 20 LEU HD21 H 13.285 -0.133 -17.080 1.00 . A A . 19 LEU HD21 1 1 15 7533 1 1 20 LEU HD22 H 12.399 0.450 -15.657 1.00 . A A . 19 LEU HD22 1 1 15 7534 1 1 20 LEU HD23 H 12.904 1.587 -16.928 1.00 . A A . 19 LEU HD23 1 1 15 7535 1 1 20 LEU HG H 10.538 -0.296 -16.761 1.00 . A A . 19 LEU HG 1 1 15 7536 1 1 20 LEU N N 8.452 1.187 -16.360 1.00 . A A . 19 LEU N 1 1 15 7537 1 1 20 LEU O O 9.736 4.352 -17.300 1.00 . A A . 19 LEU O 1 1 15 7538 1 1 21 LYS C C 5.585 4.935 -17.074 1.00 . A A . 20 LYS C 1 1 15 7539 1 1 21 LYS CA C 7.073 4.966 -17.253 1.00 . A A . 20 LYS CA 1 1 15 7540 1 1 21 LYS CB C 7.379 5.365 -18.719 1.00 . A A . 20 LYS CB 1 1 15 7541 1 1 21 LYS CD C 9.014 6.702 -20.175 1.00 . A A . 20 LYS CD 1 1 15 7542 1 1 21 LYS CE C 10.526 6.381 -20.035 1.00 . A A . 20 LYS CE 1 1 15 7543 1 1 21 LYS CG C 8.309 6.592 -18.804 1.00 . A A . 20 LYS CG 1 1 15 7544 1 1 21 LYS H H 6.959 2.977 -16.656 1.00 . A A . 20 LYS H 1 1 15 7545 1 1 21 LYS HA H 7.478 5.643 -16.496 1.00 . A A . 20 LYS HA 1 1 15 7546 1 1 21 LYS HB2 H 7.845 4.498 -19.208 1.00 . A A . 20 LYS HB2 1 1 15 7547 1 1 21 LYS HB3 H 6.453 5.612 -19.263 1.00 . A A . 20 LYS HB3 1 1 15 7548 1 1 21 LYS HD2 H 8.559 6.026 -20.914 1.00 . A A . 20 LYS HD2 1 1 15 7549 1 1 21 LYS HD3 H 8.882 7.736 -20.531 1.00 . A A . 20 LYS HD3 1 1 15 7550 1 1 21 LYS HE2 H 10.966 6.973 -19.217 1.00 . A A . 20 LYS HE2 1 1 15 7551 1 1 21 LYS HE3 H 10.655 5.311 -19.797 1.00 . A A . 20 LYS HE3 1 1 15 7552 1 1 21 LYS HG2 H 7.718 7.501 -18.631 1.00 . A A . 20 LYS HG2 1 1 15 7553 1 1 21 LYS HG3 H 9.064 6.528 -18.018 1.00 . A A . 20 LYS HG3 1 1 15 7554 1 1 21 LYS HZ1 H 11.231 5.909 -21.976 1.00 . A A . 20 LYS HZ1 1 1 15 7555 1 1 21 LYS HZ2 H 12.289 6.952 -21.041 1.00 . A A . 20 LYS HZ2 1 1 15 7556 1 1 21 LYS HZ3 H 10.859 7.604 -21.760 1.00 . A A . 20 LYS HZ3 1 1 15 7557 1 1 21 LYS N N 7.622 3.670 -16.920 1.00 . A A . 20 LYS N 1 1 15 7558 1 1 21 LYS NZ N 11.257 6.727 -21.272 1.00 . A A . 20 LYS NZ 1 1 15 7559 1 1 21 LYS O O 4.987 3.888 -17.247 1.00 . A A . 20 LYS O 1 1 15 7560 1 1 22 CYS C C 2.796 5.585 -17.653 1.00 . A A . 21 CYS C 1 1 15 7561 1 1 22 CYS CA C 3.574 6.107 -16.471 1.00 . A A . 21 CYS CA 1 1 15 7562 1 1 22 CYS CB C 3.208 7.565 -16.130 1.00 . A A . 21 CYS CB 1 1 15 7563 1 1 22 CYS H H 5.517 6.935 -16.598 1.00 . A A . 21 CYS H 1 1 15 7564 1 1 22 CYS HA H 3.352 5.468 -15.603 1.00 . A A . 21 CYS HA 1 1 15 7565 1 1 22 CYS HB2 H 3.811 7.999 -15.320 1.00 . A A . 21 CYS HB2 1 1 15 7566 1 1 22 CYS HB3 H 3.223 8.225 -17.007 1.00 . A A . 21 CYS HB3 1 1 15 7567 1 1 22 CYS N N 4.997 6.086 -16.720 1.00 . A A . 21 CYS N 1 1 15 7568 1 1 22 CYS O O 3.001 6.073 -18.751 1.00 . A A . 21 CYS O 1 1 15 7569 1 1 22 CYS SG S 1.583 7.438 -15.435 1.00 . A A . 21 CYS SG 1 1 15 7570 1 1 23 PHE C C -0.135 4.888 -18.822 1.00 . A A . 22 PHE C 1 1 15 7571 1 1 23 PHE CA C 1.114 4.074 -18.567 1.00 . A A . 22 PHE CA 1 1 15 7572 1 1 23 PHE CB C 0.724 2.615 -18.221 1.00 . A A . 22 PHE CB 1 1 15 7573 1 1 23 PHE CD1 C 2.007 1.253 -19.920 1.00 . A A . 22 PHE CD1 1 1 15 7574 1 1 23 PHE CD2 C -0.402 1.382 -20.132 1.00 . A A . 22 PHE CD2 1 1 15 7575 1 1 23 PHE CE1 C 2.061 0.418 -21.037 1.00 . A A . 22 PHE CE1 1 1 15 7576 1 1 23 PHE CE2 C -0.345 0.545 -21.248 1.00 . A A . 22 PHE CE2 1 1 15 7577 1 1 23 PHE CG C 0.773 1.727 -19.462 1.00 . A A . 22 PHE CG 1 1 15 7578 1 1 23 PHE CZ C 0.884 0.064 -21.700 1.00 . A A . 22 PHE CZ 1 1 15 7579 1 1 23 PHE H H 1.670 4.277 -16.529 1.00 . A A . 22 PHE H 1 1 15 7580 1 1 23 PHE HA H 1.724 4.078 -19.484 1.00 . A A . 22 PHE HA 1 1 15 7581 1 1 23 PHE HB2 H 1.451 2.180 -17.521 1.00 . A A . 22 PHE HB2 1 1 15 7582 1 1 23 PHE HB3 H -0.265 2.588 -17.739 1.00 . A A . 22 PHE HB3 1 1 15 7583 1 1 23 PHE HD1 H 2.925 1.531 -19.412 1.00 . A A . 22 PHE HD1 1 1 15 7584 1 1 23 PHE HD2 H -1.360 1.759 -19.789 1.00 . A A . 22 PHE HD2 1 1 15 7585 1 1 23 PHE HE1 H 3.018 0.047 -21.390 1.00 . A A . 22 PHE HE1 1 1 15 7586 1 1 23 PHE HE2 H -1.260 0.271 -21.762 1.00 . A A . 22 PHE HE2 1 1 15 7587 1 1 23 PHE HZ H 0.926 -0.586 -22.567 1.00 . A A . 22 PHE HZ 1 1 15 7588 1 1 23 PHE N N 1.887 4.605 -17.450 1.00 . A A . 22 PHE N 1 1 15 7589 1 1 23 PHE O O -0.943 4.484 -19.642 1.00 . A A . 22 PHE O 1 1 15 7590 1 1 24 ARG C C -1.080 8.175 -18.972 1.00 . A A . 23 ARG C 1 1 15 7591 1 1 24 ARG CA C -1.458 6.889 -18.296 1.00 . A A . 23 ARG CA 1 1 15 7592 1 1 24 ARG CB C -2.037 7.198 -16.897 1.00 . A A . 23 ARG CB 1 1 15 7593 1 1 24 ARG CD C -4.333 8.032 -17.728 1.00 . A A . 23 ARG CD 1 1 15 7594 1 1 24 ARG CG C -3.074 8.349 -16.874 1.00 . A A . 23 ARG CG 1 1 15 7595 1 1 24 ARG CZ C -6.752 7.778 -17.531 1.00 . A A . 23 ARG CZ 1 1 15 7596 1 1 24 ARG H H 0.359 6.309 -17.438 1.00 . A A . 23 ARG H 1 1 15 7597 1 1 24 ARG HA H -2.207 6.378 -18.914 1.00 . A A . 23 ARG HA 1 1 15 7598 1 1 24 ARG HB2 H -2.483 6.250 -16.602 1.00 . A A . 23 ARG HB2 1 1 15 7599 1 1 24 ARG HB3 H -1.248 7.448 -16.173 1.00 . A A . 23 ARG HB3 1 1 15 7600 1 1 24 ARG HD2 H -4.399 8.840 -18.470 1.00 . A A . 23 ARG HD2 1 1 15 7601 1 1 24 ARG HD3 H -4.229 7.068 -18.243 1.00 . A A . 23 ARG HD3 1 1 15 7602 1 1 24 ARG HE H -5.530 7.997 -15.951 1.00 . A A . 23 ARG HE 1 1 15 7603 1 1 24 ARG HG2 H -3.348 8.549 -15.831 1.00 . A A . 23 ARG HG2 1 1 15 7604 1 1 24 ARG HG3 H -2.597 9.274 -17.237 1.00 . A A . 23 ARG HG3 1 1 15 7605 1 1 24 ARG HH11 H -6.139 7.829 -19.483 1.00 . A A . 23 ARG HH11 1 1 15 7606 1 1 24 ARG HH12 H -7.866 7.660 -19.232 1.00 . A A . 23 ARG HH12 1 1 15 7607 1 1 24 ARG HH21 H -7.705 7.635 -15.725 1.00 . A A . 23 ARG HH21 1 1 15 7608 1 1 24 ARG HH22 H -8.742 7.542 -17.146 1.00 . A A . 23 ARG HH22 1 1 15 7609 1 1 24 ARG N N -0.302 6.026 -18.116 1.00 . A A . 23 ARG N 1 1 15 7610 1 1 24 ARG NE N -5.579 7.930 -16.971 1.00 . A A . 23 ARG NE 1 1 15 7611 1 1 24 ARG NH1 N -6.926 7.751 -18.828 1.00 . A A . 23 ARG NH1 1 1 15 7612 1 1 24 ARG NH2 N -7.798 7.650 -16.752 1.00 . A A . 23 ARG NH2 1 1 15 7613 1 1 24 ARG O O -1.715 8.514 -19.957 1.00 . A A . 23 ARG O 1 1 15 7614 1 1 25 CYS C C 1.618 9.846 -19.925 1.00 . A A . 24 CYS C 1 1 15 7615 1 1 25 CYS CA C 0.385 10.111 -19.098 1.00 . A A . 24 CYS CA 1 1 15 7616 1 1 25 CYS CB C 0.635 11.218 -18.049 1.00 . A A . 24 CYS CB 1 1 15 7617 1 1 25 CYS H H 0.391 8.622 -17.607 1.00 . A A . 24 CYS H 1 1 15 7618 1 1 25 CYS HA H -0.405 10.515 -19.750 1.00 . A A . 24 CYS HA 1 1 15 7619 1 1 25 CYS HB2 H 0.705 12.212 -18.512 1.00 . A A . 24 CYS HB2 1 1 15 7620 1 1 25 CYS HB3 H -0.194 11.193 -17.346 1.00 . A A . 24 CYS HB3 1 1 15 7621 1 1 25 CYS N N -0.074 8.898 -18.441 1.00 . A A . 24 CYS N 1 1 15 7622 1 1 25 CYS O O 1.946 10.692 -20.740 1.00 . A A . 24 CYS O 1 1 15 7623 1 1 25 CYS SG S 2.110 11.029 -17.042 1.00 . A A . 24 CYS SG 1 1 15 7624 1 1 26 GLY C C 4.780 8.925 -19.748 1.00 . A A . 25 GLY C 1 1 15 7625 1 1 26 GLY CA C 3.553 8.463 -20.496 1.00 . A A . 25 GLY CA 1 1 15 7626 1 1 26 GLY H H 2.091 8.008 -19.069 1.00 . A A . 25 GLY H 1 1 15 7627 1 1 26 GLY HA2 H 3.648 7.384 -20.688 1.00 . A A . 25 GLY HA2 1 1 15 7628 1 1 26 GLY HA3 H 3.517 8.962 -21.474 1.00 . A A . 25 GLY HA3 1 1 15 7629 1 1 26 GLY N N 2.332 8.708 -19.737 1.00 . A A . 25 GLY N 1 1 15 7630 1 1 26 GLY O O 5.835 8.337 -19.909 1.00 . A A . 25 GLY O 1 1 15 7631 1 1 27 ALA C C 6.423 9.574 -17.296 1.00 . A A . 26 ALA C 1 1 15 7632 1 1 27 ALA CA C 5.799 10.565 -18.248 1.00 . A A . 26 ALA CA 1 1 15 7633 1 1 27 ALA CB C 5.405 11.836 -17.452 1.00 . A A . 26 ALA CB 1 1 15 7634 1 1 27 ALA H H 3.796 10.486 -18.899 1.00 . A A . 26 ALA H 1 1 15 7635 1 1 27 ALA HA H 6.524 10.861 -19.022 1.00 . A A . 26 ALA HA 1 1 15 7636 1 1 27 ALA HB1 H 4.673 12.442 -18.009 1.00 . A A . 26 ALA HB1 1 1 15 7637 1 1 27 ALA HB2 H 4.968 11.555 -16.481 1.00 . A A . 26 ALA HB2 1 1 15 7638 1 1 27 ALA HB3 H 6.292 12.459 -17.273 1.00 . A A . 26 ALA HB3 1 1 15 7639 1 1 27 ALA N N 4.657 10.004 -18.954 1.00 . A A . 26 ALA N 1 1 15 7640 1 1 27 ALA O O 5.739 8.724 -16.749 1.00 . A A . 26 ALA O 1 1 15 7641 1 1 28 ASP C C 8.103 9.057 -14.732 1.00 . A A . 27 ASP C 1 1 15 7642 1 1 28 ASP CA C 8.409 8.754 -16.171 1.00 . A A . 27 ASP CA 1 1 15 7643 1 1 28 ASP CB C 9.930 8.710 -16.447 1.00 . A A . 27 ASP CB 1 1 15 7644 1 1 28 ASP CG C 10.664 7.629 -15.718 1.00 . A A . 27 ASP CG 1 1 15 7645 1 1 28 ASP H H 8.301 10.339 -17.575 1.00 . A A . 27 ASP H 1 1 15 7646 1 1 28 ASP HA H 8.007 7.762 -16.345 1.00 . A A . 27 ASP HA 1 1 15 7647 1 1 28 ASP HB2 H 10.127 8.648 -17.527 1.00 . A A . 27 ASP HB2 1 1 15 7648 1 1 28 ASP HB3 H 10.373 9.627 -16.064 1.00 . A A . 27 ASP HB3 1 1 15 7649 1 1 28 ASP N N 7.750 9.666 -17.090 1.00 . A A . 27 ASP N 1 1 15 7650 1 1 28 ASP O O 7.783 10.185 -14.394 1.00 . A A . 27 ASP O 1 1 15 7651 1 1 28 ASP OD1 O 10.970 7.864 -14.520 1.00 . A A . 27 ASP OD1 1 1 15 7652 1 1 28 ASP OD2 O 10.957 6.567 -16.321 1.00 . A A . 27 ASP OD2 1 1 15 7653 1 1 29 LYS C C 8.991 9.267 -11.892 1.00 . A A . 28 LYS C 1 1 15 7654 1 1 29 LYS CA C 8.020 8.254 -12.446 1.00 . A A . 28 LYS CA 1 1 15 7655 1 1 29 LYS CB C 8.192 6.931 -11.664 1.00 . A A . 28 LYS CB 1 1 15 7656 1 1 29 LYS CD C 10.263 5.830 -10.631 1.00 . A A . 28 LYS CD 1 1 15 7657 1 1 29 LYS CE C 9.507 4.706 -9.885 1.00 . A A . 28 LYS CE 1 1 15 7658 1 1 29 LYS CG C 9.541 6.211 -11.940 1.00 . A A . 28 LYS CG 1 1 15 7659 1 1 29 LYS H H 8.489 7.118 -14.178 1.00 . A A . 28 LYS H 1 1 15 7660 1 1 29 LYS HA H 6.994 8.622 -12.286 1.00 . A A . 28 LYS HA 1 1 15 7661 1 1 29 LYS HB2 H 8.041 7.151 -10.597 1.00 . A A . 28 LYS HB2 1 1 15 7662 1 1 29 LYS HB3 H 7.398 6.257 -11.988 1.00 . A A . 28 LYS HB3 1 1 15 7663 1 1 29 LYS HD2 H 11.289 5.508 -10.865 1.00 . A A . 28 LYS HD2 1 1 15 7664 1 1 29 LYS HD3 H 10.331 6.733 -10.003 1.00 . A A . 28 LYS HD3 1 1 15 7665 1 1 29 LYS HE2 H 9.731 4.785 -8.810 1.00 . A A . 28 LYS HE2 1 1 15 7666 1 1 29 LYS HE3 H 8.425 4.833 -10.013 1.00 . A A . 28 LYS HE3 1 1 15 7667 1 1 29 LYS HG2 H 9.378 5.320 -12.568 1.00 . A A . 28 LYS HG2 1 1 15 7668 1 1 29 LYS HG3 H 10.233 6.871 -12.467 1.00 . A A . 28 LYS HG3 1 1 15 7669 1 1 29 LYS HZ1 H 10.968 3.218 -10.280 1.00 . A A . 28 LYS HZ1 1 1 15 7670 1 1 29 LYS HZ2 H 9.616 3.199 -11.394 1.00 . A A . 28 LYS HZ2 1 1 15 7671 1 1 29 LYS HZ3 H 9.419 2.604 -9.774 1.00 . A A . 28 LYS HZ3 1 1 15 7672 1 1 29 LYS N N 8.221 8.030 -13.868 1.00 . A A . 28 LYS N 1 1 15 7673 1 1 29 LYS NZ N 9.902 3.366 -10.365 1.00 . A A . 28 LYS NZ 1 1 15 7674 1 1 29 LYS O O 8.718 9.797 -10.827 1.00 . A A . 28 LYS O 1 1 15 7675 1 1 30 PHE C C 11.104 11.706 -13.097 1.00 . A A . 29 PHE C 1 1 15 7676 1 1 30 PHE CA C 11.074 10.533 -12.139 1.00 . A A . 29 PHE CA 1 1 15 7677 1 1 30 PHE CB C 12.465 9.840 -12.043 1.00 . A A . 29 PHE CB 1 1 15 7678 1 1 30 PHE CD1 C 13.181 11.111 -9.966 1.00 . A A . 29 PHE CD1 1 1 15 7679 1 1 30 PHE CD2 C 13.400 8.703 -9.973 1.00 . A A . 29 PHE CD2 1 1 15 7680 1 1 30 PHE CE1 C 13.697 11.154 -8.670 1.00 . A A . 29 PHE CE1 1 1 15 7681 1 1 30 PHE CE2 C 13.928 8.747 -8.682 1.00 . A A . 29 PHE CE2 1 1 15 7682 1 1 30 PHE CG C 13.028 9.886 -10.620 1.00 . A A . 29 PHE CG 1 1 15 7683 1 1 30 PHE CZ C 14.075 9.972 -8.030 1.00 . A A . 29 PHE CZ 1 1 15 7684 1 1 30 PHE H H 10.337 9.075 -13.454 1.00 . A A . 29 PHE H 1 1 15 7685 1 1 30 PHE HA H 10.788 10.934 -11.156 1.00 . A A . 29 PHE HA 1 1 15 7686 1 1 30 PHE HB2 H 12.377 8.789 -12.353 1.00 . A A . 29 PHE HB2 1 1 15 7687 1 1 30 PHE HB3 H 13.211 10.301 -12.704 1.00 . A A . 29 PHE HB3 1 1 15 7688 1 1 30 PHE HD1 H 12.902 12.036 -10.460 1.00 . A A . 29 PHE HD1 1 1 15 7689 1 1 30 PHE HD2 H 13.287 7.742 -10.465 1.00 . A A . 29 PHE HD2 1 1 15 7690 1 1 30 PHE HE1 H 13.804 12.107 -8.160 1.00 . A A . 29 PHE HE1 1 1 15 7691 1 1 30 PHE HE2 H 14.224 7.827 -8.190 1.00 . A A . 29 PHE HE2 1 1 15 7692 1 1 30 PHE HZ H 14.484 10.006 -7.026 1.00 . A A . 29 PHE HZ 1 1 15 7693 1 1 30 PHE N N 10.115 9.538 -12.593 1.00 . A A . 29 PHE N 1 1 15 7694 1 1 30 PHE O O 12.117 12.384 -13.155 1.00 . A A . 29 PHE O 1 1 15 7695 1 1 31 ASP C C 8.948 14.070 -14.329 1.00 . A A . 30 ASP C 1 1 15 7696 1 1 31 ASP CA C 9.998 13.088 -14.800 1.00 . A A . 30 ASP CA 1 1 15 7697 1 1 31 ASP CB C 9.682 12.521 -16.200 1.00 . A A . 30 ASP CB 1 1 15 7698 1 1 31 ASP CG C 9.846 13.518 -17.305 1.00 . A A . 30 ASP CG 1 1 15 7699 1 1 31 ASP H H 9.170 11.433 -13.767 1.00 . A A . 30 ASP H 1 1 15 7700 1 1 31 ASP HA H 10.969 13.600 -14.858 1.00 . A A . 30 ASP HA 1 1 15 7701 1 1 31 ASP HB2 H 10.413 11.748 -16.443 1.00 . A A . 30 ASP HB2 1 1 15 7702 1 1 31 ASP HB3 H 8.664 12.110 -16.177 1.00 . A A . 30 ASP HB3 1 1 15 7703 1 1 31 ASP N N 10.012 11.970 -13.852 1.00 . A A . 30 ASP N 1 1 15 7704 1 1 31 ASP O O 8.649 14.040 -13.147 1.00 . A A . 30 ASP O 1 1 15 7705 1 1 31 ASP OD1 O 11.005 13.858 -17.654 1.00 . A A . 30 ASP OD1 1 1 15 7706 1 1 31 ASP OD2 O 8.790 13.994 -17.805 1.00 . A A . 30 ASP OD2 1 1 15 7707 1 1 32 NH2 HN1 H 8.526 15.043 -16.131 1.00 . A A . 31 NH2 HN1 1 1 15 7708 1 1 32 NH2 HN2 H 7.663 15.559 -14.762 1.00 . A A . 31 NH2 HN2 1 1 15 7709 1 1 32 NH2 N N 8.347 14.956 -15.154 1.00 . A A . 31 NH2 N 1 1 15 7710 2 2 1 ZN ZN ZN 1.325 9.801 -15.174 1.00 . B A . 32 ZN ZN 1 1 16 7711 1 1 1 ACE C C -0.760 -0.349 -0.605 1.00 . A A . 0 ACE C 1 1 16 7712 1 1 1 ACE CH3 C -1.631 -0.455 0.616 1.00 . A A . 0 ACE CH3 1 1 16 7713 1 1 1 ACE H1 H -1.369 0.347 1.323 1.00 . A A . 0 ACE H1 1 1 16 7714 1 1 1 ACE H2 H -1.482 -1.430 1.101 1.00 . A A . 0 ACE H2 1 1 16 7715 1 1 1 ACE H3 H -2.691 -0.350 0.339 1.00 . A A . 0 ACE H3 1 1 16 7716 1 1 1 ACE O O -1.288 -0.160 -1.689 1.00 . A A . 0 ACE O 1 1 16 7717 1 1 2 LYS C C 1.965 -1.674 -1.974 1.00 . A A . 1 LYS C 1 1 16 7718 1 1 2 LYS CA C 1.486 -0.302 -1.557 1.00 . A A . 1 LYS CA 1 1 16 7719 1 1 2 LYS CB C 2.667 0.612 -1.125 1.00 . A A . 1 LYS CB 1 1 16 7720 1 1 2 LYS CD C 4.514 2.127 -2.066 1.00 . A A . 1 LYS CD 1 1 16 7721 1 1 2 LYS CE C 4.759 3.302 -3.053 1.00 . A A . 1 LYS CE 1 1 16 7722 1 1 2 LYS CG C 3.127 1.486 -2.313 1.00 . A A . 1 LYS CG 1 1 16 7723 1 1 2 LYS H H 0.965 -0.661 0.470 1.00 . A A . 1 LYS H 1 1 16 7724 1 1 2 LYS HA H 0.972 0.193 -2.394 1.00 . A A . 1 LYS HA 1 1 16 7725 1 1 2 LYS HB2 H 2.334 1.298 -0.330 1.00 . A A . 1 LYS HB2 1 1 16 7726 1 1 2 LYS HB3 H 3.516 0.030 -0.735 1.00 . A A . 1 LYS HB3 1 1 16 7727 1 1 2 LYS HD2 H 4.598 2.471 -1.023 1.00 . A A . 1 LYS HD2 1 1 16 7728 1 1 2 LYS HD3 H 5.273 1.343 -2.222 1.00 . A A . 1 LYS HD3 1 1 16 7729 1 1 2 LYS HE2 H 5.758 3.197 -3.505 1.00 . A A . 1 LYS HE2 1 1 16 7730 1 1 2 LYS HE3 H 4.015 3.274 -3.864 1.00 . A A . 1 LYS HE3 1 1 16 7731 1 1 2 LYS HG2 H 3.209 0.856 -3.210 1.00 . A A . 1 LYS HG2 1 1 16 7732 1 1 2 LYS HG3 H 2.361 2.263 -2.477 1.00 . A A . 1 LYS HG3 1 1 16 7733 1 1 2 LYS HZ1 H 3.959 4.662 -1.587 1.00 . A A . 1 LYS HZ1 1 1 16 7734 1 1 2 LYS HZ2 H 4.388 5.382 -3.096 1.00 . A A . 1 LYS HZ2 1 1 16 7735 1 1 2 LYS HZ3 H 5.648 4.910 -1.994 1.00 . A A . 1 LYS HZ3 1 1 16 7736 1 1 2 LYS N N 0.575 -0.460 -0.429 1.00 . A A . 1 LYS N 1 1 16 7737 1 1 2 LYS NZ N 4.683 4.622 -2.389 1.00 . A A . 1 LYS NZ 1 1 16 7738 1 1 2 LYS O O 2.871 -2.200 -1.348 1.00 . A A . 1 LYS O 1 1 16 7739 1 1 3 PHE C C 2.927 -3.449 -4.487 1.00 . A A . 2 PHE C 1 1 16 7740 1 1 3 PHE CA C 1.844 -3.607 -3.450 1.00 . A A . 2 PHE CA 1 1 16 7741 1 1 3 PHE CB C 0.657 -4.429 -4.008 1.00 . A A . 2 PHE CB 1 1 16 7742 1 1 3 PHE CD1 C -0.355 -4.863 -1.696 1.00 . A A . 2 PHE CD1 1 1 16 7743 1 1 3 PHE CD2 C -1.813 -4.162 -3.483 1.00 . A A . 2 PHE CD2 1 1 16 7744 1 1 3 PHE CE1 C -1.443 -4.900 -0.821 1.00 . A A . 2 PHE CE1 1 1 16 7745 1 1 3 PHE CE2 C -2.906 -4.221 -2.616 1.00 . A A . 2 PHE CE2 1 1 16 7746 1 1 3 PHE CG C -0.528 -4.486 -3.033 1.00 . A A . 2 PHE CG 1 1 16 7747 1 1 3 PHE CZ C -2.723 -4.588 -1.283 1.00 . A A . 2 PHE CZ 1 1 16 7748 1 1 3 PHE H H 0.683 -1.833 -3.582 1.00 . A A . 2 PHE H 1 1 16 7749 1 1 3 PHE HA H 2.289 -4.173 -2.619 1.00 . A A . 2 PHE HA 1 1 16 7750 1 1 3 PHE HB2 H 0.336 -3.964 -4.951 1.00 . A A . 2 PHE HB2 1 1 16 7751 1 1 3 PHE HB3 H 0.984 -5.459 -4.221 1.00 . A A . 2 PHE HB3 1 1 16 7752 1 1 3 PHE HD1 H 0.622 -5.136 -1.316 1.00 . A A . 2 PHE HD1 1 1 16 7753 1 1 3 PHE HD2 H -1.978 -3.863 -4.513 1.00 . A A . 2 PHE HD2 1 1 16 7754 1 1 3 PHE HE1 H -1.294 -5.175 0.217 1.00 . A A . 2 PHE HE1 1 1 16 7755 1 1 3 PHE HE2 H -3.899 -3.981 -2.982 1.00 . A A . 2 PHE HE2 1 1 16 7756 1 1 3 PHE HZ H -3.571 -4.633 -0.608 1.00 . A A . 2 PHE HZ 1 1 16 7757 1 1 3 PHE N N 1.386 -2.288 -3.027 1.00 . A A . 2 PHE N 1 1 16 7758 1 1 3 PHE O O 2.776 -3.923 -5.599 1.00 . A A . 2 PHE O 1 1 16 7759 1 1 4 GLU C C 4.724 -1.813 -6.226 1.00 . A A . 3 GLU C 1 1 16 7760 1 1 4 GLU CA C 5.158 -2.664 -5.051 1.00 . A A . 3 GLU CA 1 1 16 7761 1 1 4 GLU CB C 5.682 -4.085 -5.414 1.00 . A A . 3 GLU CB 1 1 16 7762 1 1 4 GLU CD C 7.945 -5.214 -5.136 1.00 . A A . 3 GLU CD 1 1 16 7763 1 1 4 GLU CG C 7.174 -4.133 -5.835 1.00 . A A . 3 GLU CG 1 1 16 7764 1 1 4 GLU H H 4.142 -2.414 -3.196 1.00 . A A . 3 GLU H 1 1 16 7765 1 1 4 GLU HA H 5.951 -2.118 -4.517 1.00 . A A . 3 GLU HA 1 1 16 7766 1 1 4 GLU HB2 H 5.574 -4.706 -4.512 1.00 . A A . 3 GLU HB2 1 1 16 7767 1 1 4 GLU HB3 H 5.079 -4.544 -6.213 1.00 . A A . 3 GLU HB3 1 1 16 7768 1 1 4 GLU HG2 H 7.261 -4.341 -6.911 1.00 . A A . 3 GLU HG2 1 1 16 7769 1 1 4 GLU HG3 H 7.675 -3.188 -5.604 1.00 . A A . 3 GLU HG3 1 1 16 7770 1 1 4 GLU N N 4.045 -2.791 -4.119 1.00 . A A . 3 GLU N 1 1 16 7771 1 1 4 GLU O O 4.651 -2.287 -7.349 1.00 . A A . 3 GLU O 1 1 16 7772 1 1 4 GLU OE1 O 7.864 -6.386 -5.592 1.00 . A A . 3 GLU OE1 1 1 16 7773 1 1 4 GLU OE2 O 8.646 -4.887 -4.140 1.00 . A A . 3 GLU OE2 1 1 16 7774 1 1 5 ASP C C 4.407 1.786 -6.725 1.00 . A A . 4 ASP C 1 1 16 7775 1 1 5 ASP CA C 3.965 0.374 -7.022 1.00 . A A . 4 ASP CA 1 1 16 7776 1 1 5 ASP CB C 2.427 0.235 -7.152 1.00 . A A . 4 ASP CB 1 1 16 7777 1 1 5 ASP CG C 1.780 0.354 -5.800 1.00 . A A . 4 ASP CG 1 1 16 7778 1 1 5 ASP H H 4.497 -0.141 -5.042 1.00 . A A . 4 ASP H 1 1 16 7779 1 1 5 ASP HA H 4.445 0.128 -7.975 1.00 . A A . 4 ASP HA 1 1 16 7780 1 1 5 ASP HB2 H 2.000 1.006 -7.808 1.00 . A A . 4 ASP HB2 1 1 16 7781 1 1 5 ASP HB3 H 2.195 -0.749 -7.586 1.00 . A A . 4 ASP HB3 1 1 16 7782 1 1 5 ASP N N 4.436 -0.518 -5.966 1.00 . A A . 4 ASP N 1 1 16 7783 1 1 5 ASP O O 5.043 1.990 -5.704 1.00 . A A . 4 ASP O 1 1 16 7784 1 1 5 ASP OD1 O 1.899 1.453 -5.193 1.00 . A A . 4 ASP OD1 1 1 16 7785 1 1 5 ASP OD2 O 1.163 -0.643 -5.328 1.00 . A A . 4 ASP OD2 1 1 16 7786 1 1 6 TRP C C 3.388 5.048 -7.950 1.00 . A A . 5 TRP C 1 1 16 7787 1 1 6 TRP CA C 4.452 4.151 -7.368 1.00 . A A . 5 TRP CA 1 1 16 7788 1 1 6 TRP CB C 5.811 4.469 -8.026 1.00 . A A . 5 TRP CB 1 1 16 7789 1 1 6 TRP CD1 C 6.253 2.766 -9.842 1.00 . A A . 5 TRP CD1 1 1 16 7790 1 1 6 TRP CD2 C 5.388 4.698 -10.682 1.00 . A A . 5 TRP CD2 1 1 16 7791 1 1 6 TRP CE2 C 5.666 3.790 -11.687 1.00 . A A . 5 TRP CE2 1 1 16 7792 1 1 6 TRP CE3 C 4.843 5.955 -10.939 1.00 . A A . 5 TRP CE3 1 1 16 7793 1 1 6 TRP CG C 5.826 3.971 -9.444 1.00 . A A . 5 TRP CG 1 1 16 7794 1 1 6 TRP CH2 C 4.945 5.371 -13.305 1.00 . A A . 5 TRP CH2 1 1 16 7795 1 1 6 TRP CZ2 C 5.455 4.101 -13.025 1.00 . A A . 5 TRP CZ2 1 1 16 7796 1 1 6 TRP CZ3 C 4.622 6.265 -12.281 1.00 . A A . 5 TRP CZ3 1 1 16 7797 1 1 6 TRP H H 3.675 2.534 -8.490 1.00 . A A . 5 TRP H 1 1 16 7798 1 1 6 TRP HA H 4.510 4.357 -6.288 1.00 . A A . 5 TRP HA 1 1 16 7799 1 1 6 TRP HB2 H 6.032 5.547 -8.010 1.00 . A A . 5 TRP HB2 1 1 16 7800 1 1 6 TRP HB3 H 6.596 3.943 -7.462 1.00 . A A . 5 TRP HB3 1 1 16 7801 1 1 6 TRP HD1 H 6.612 2.057 -9.111 1.00 . A A . 5 TRP HD1 1 1 16 7802 1 1 6 TRP HE1 H 6.423 1.817 -11.682 1.00 . A A . 5 TRP HE1 1 1 16 7803 1 1 6 TRP HE3 H 4.621 6.640 -10.135 1.00 . A A . 5 TRP HE3 1 1 16 7804 1 1 6 TRP HH2 H 4.806 5.677 -14.327 1.00 . A A . 5 TRP HH2 1 1 16 7805 1 1 6 TRP HZ2 H 5.674 3.422 -13.825 1.00 . A A . 5 TRP HZ2 1 1 16 7806 1 1 6 TRP HZ3 H 4.199 7.207 -12.576 1.00 . A A . 5 TRP HZ3 1 1 16 7807 1 1 6 TRP N N 4.107 2.757 -7.614 1.00 . A A . 5 TRP N 1 1 16 7808 1 1 6 TRP NE1 N 6.154 2.656 -11.142 1.00 . A A . 5 TRP NE1 1 1 16 7809 1 1 6 TRP O O 2.611 4.561 -8.756 1.00 . A A . 5 TRP O 1 1 16 7810 1 1 7 LEU C C 2.952 8.239 -8.969 1.00 . A A . 6 LEU C 1 1 16 7811 1 1 7 LEU CA C 2.327 7.262 -8.008 1.00 . A A . 6 LEU CA 1 1 16 7812 1 1 7 LEU CB C 1.741 8.090 -6.838 1.00 . A A . 6 LEU CB 1 1 16 7813 1 1 7 LEU CD1 C 1.893 7.184 -4.436 1.00 . A A . 6 LEU CD1 1 1 16 7814 1 1 7 LEU CD2 C -0.381 7.568 -5.500 1.00 . A A . 6 LEU CD2 1 1 16 7815 1 1 7 LEU CG C 1.094 7.172 -5.763 1.00 . A A . 6 LEU CG 1 1 16 7816 1 1 7 LEU H H 4.042 6.707 -6.913 1.00 . A A . 6 LEU H 1 1 16 7817 1 1 7 LEU HA H 1.490 6.725 -8.475 1.00 . A A . 6 LEU HA 1 1 16 7818 1 1 7 LEU HB2 H 2.536 8.706 -6.393 1.00 . A A . 6 LEU HB2 1 1 16 7819 1 1 7 LEU HB3 H 0.992 8.776 -7.267 1.00 . A A . 6 LEU HB3 1 1 16 7820 1 1 7 LEU HD11 H 2.078 8.214 -4.095 1.00 . A A . 6 LEU HD11 1 1 16 7821 1 1 7 LEU HD12 H 2.856 6.675 -4.583 1.00 . A A . 6 LEU HD12 1 1 16 7822 1 1 7 LEU HD13 H 1.334 6.654 -3.649 1.00 . A A . 6 LEU HD13 1 1 16 7823 1 1 7 LEU HD21 H -0.426 8.550 -5.005 1.00 . A A . 6 LEU HD21 1 1 16 7824 1 1 7 LEU HD22 H -0.861 6.822 -4.849 1.00 . A A . 6 LEU HD22 1 1 16 7825 1 1 7 LEU HD23 H -0.945 7.618 -6.445 1.00 . A A . 6 LEU HD23 1 1 16 7826 1 1 7 LEU HG H 1.107 6.136 -6.132 1.00 . A A . 6 LEU HG 1 1 16 7827 1 1 7 LEU N N 3.354 6.338 -7.536 1.00 . A A . 6 LEU N 1 1 16 7828 1 1 7 LEU O O 3.930 8.870 -8.601 1.00 . A A . 6 LEU O 1 1 16 7829 1 1 8 CYS C C 3.117 10.703 -10.614 1.00 . A A . 7 CYS C 1 1 16 7830 1 1 8 CYS CA C 3.050 9.293 -11.144 1.00 . A A . 7 CYS CA 1 1 16 7831 1 1 8 CYS CB C 2.252 9.247 -12.472 1.00 . A A . 7 CYS CB 1 1 16 7832 1 1 8 CYS H H 1.639 7.825 -10.498 1.00 . A A . 7 CYS H 1 1 16 7833 1 1 8 CYS HA H 4.094 8.986 -11.288 1.00 . A A . 7 CYS HA 1 1 16 7834 1 1 8 CYS HB2 H 2.102 8.218 -12.831 1.00 . A A . 7 CYS HB2 1 1 16 7835 1 1 8 CYS HB3 H 1.270 9.691 -12.294 1.00 . A A . 7 CYS HB3 1 1 16 7836 1 1 8 CYS N N 2.427 8.373 -10.202 1.00 . A A . 7 CYS N 1 1 16 7837 1 1 8 CYS O O 2.267 11.079 -9.825 1.00 . A A . 7 CYS O 1 1 16 7838 1 1 8 CYS SG S 3.016 10.212 -13.801 1.00 . A A . 7 CYS SG 1 1 16 7839 1 1 9 ASN C C 3.570 13.841 -11.541 1.00 . A A . 8 ASN C 1 1 16 7840 1 1 9 ASN CA C 4.250 12.877 -10.589 1.00 . A A . 8 ASN CA 1 1 16 7841 1 1 9 ASN CB C 5.755 13.215 -10.384 1.00 . A A . 8 ASN CB 1 1 16 7842 1 1 9 ASN CG C 6.029 13.632 -8.963 1.00 . A A . 8 ASN CG 1 1 16 7843 1 1 9 ASN H H 4.757 11.178 -11.764 1.00 . A A . 8 ASN H 1 1 16 7844 1 1 9 ASN HA H 3.745 12.995 -9.617 1.00 . A A . 8 ASN HA 1 1 16 7845 1 1 9 ASN HB2 H 6.379 12.331 -10.561 1.00 . A A . 8 ASN HB2 1 1 16 7846 1 1 9 ASN HB3 H 6.103 13.995 -11.078 1.00 . A A . 8 ASN HB3 1 1 16 7847 1 1 9 ASN HD21 H 5.218 15.495 -9.210 1.00 . A A . 8 ASN HD21 1 1 16 7848 1 1 9 ASN HD22 H 5.842 15.146 -7.628 1.00 . A A . 8 ASN HD22 1 1 16 7849 1 1 9 ASN N N 4.118 11.499 -11.060 1.00 . A A . 8 ASN N 1 1 16 7850 1 1 9 ASN ND2 N 5.660 14.866 -8.571 1.00 . A A . 8 ASN ND2 1 1 16 7851 1 1 9 ASN O O 3.939 15.003 -11.581 1.00 . A A . 8 ASN O 1 1 16 7852 1 1 9 ASN OD1 O 6.572 12.850 -8.201 1.00 . A A . 8 ASN OD1 1 1 16 7853 1 1 10 LYS C C 0.417 13.956 -13.264 1.00 . A A . 9 LYS C 1 1 16 7854 1 1 10 LYS CA C 1.908 14.199 -13.318 1.00 . A A . 9 LYS CA 1 1 16 7855 1 1 10 LYS CB C 2.530 13.855 -14.700 1.00 . A A . 9 LYS CB 1 1 16 7856 1 1 10 LYS CD C 1.445 15.489 -16.358 1.00 . A A . 9 LYS CD 1 1 16 7857 1 1 10 LYS CE C 1.681 16.743 -17.240 1.00 . A A . 9 LYS CE 1 1 16 7858 1 1 10 LYS CG C 2.743 15.089 -15.615 1.00 . A A . 9 LYS CG 1 1 16 7859 1 1 10 LYS H H 2.308 12.416 -12.254 1.00 . A A . 9 LYS H 1 1 16 7860 1 1 10 LYS HA H 2.055 15.260 -13.071 1.00 . A A . 9 LYS HA 1 1 16 7861 1 1 10 LYS HB2 H 3.523 13.414 -14.520 1.00 . A A . 9 LYS HB2 1 1 16 7862 1 1 10 LYS HB3 H 1.922 13.104 -15.223 1.00 . A A . 9 LYS HB3 1 1 16 7863 1 1 10 LYS HD2 H 1.124 14.660 -17.011 1.00 . A A . 9 LYS HD2 1 1 16 7864 1 1 10 LYS HD3 H 0.653 15.690 -15.623 1.00 . A A . 9 LYS HD3 1 1 16 7865 1 1 10 LYS HE2 H 2.281 17.488 -16.693 1.00 . A A . 9 LYS HE2 1 1 16 7866 1 1 10 LYS HE3 H 2.247 16.440 -18.136 1.00 . A A . 9 LYS HE3 1 1 16 7867 1 1 10 LYS HG2 H 3.118 15.934 -15.019 1.00 . A A . 9 LYS HG2 1 1 16 7868 1 1 10 LYS HG3 H 3.507 14.846 -16.370 1.00 . A A . 9 LYS HG3 1 1 16 7869 1 1 10 LYS HZ1 H -0.394 16.649 -17.747 1.00 . A A . 9 LYS HZ1 1 1 16 7870 1 1 10 LYS HZ2 H 0.502 17.901 -18.569 1.00 . A A . 9 LYS HZ2 1 1 16 7871 1 1 10 LYS HZ3 H 0.087 18.088 -16.884 1.00 . A A . 9 LYS HZ3 1 1 16 7872 1 1 10 LYS N N 2.567 13.369 -12.314 1.00 . A A . 9 LYS N 1 1 16 7873 1 1 10 LYS NZ N 0.401 17.372 -17.631 1.00 . A A . 9 LYS NZ 1 1 16 7874 1 1 10 LYS O O -0.327 14.913 -13.122 1.00 . A A . 9 LYS O 1 1 16 7875 1 1 11 CYS C C -1.722 11.656 -11.851 1.00 . A A . 10 CYS C 1 1 16 7876 1 1 11 CYS CA C -1.449 12.385 -13.155 1.00 . A A . 10 CYS CA 1 1 16 7877 1 1 11 CYS CB C -1.896 11.527 -14.352 1.00 . A A . 10 CYS CB 1 1 16 7878 1 1 11 CYS H H 0.576 11.931 -13.550 1.00 . A A . 10 CYS H 1 1 16 7879 1 1 11 CYS HA H -2.079 13.285 -13.181 1.00 . A A . 10 CYS HA 1 1 16 7880 1 1 11 CYS HB2 H -2.956 11.289 -14.248 1.00 . A A . 10 CYS HB2 1 1 16 7881 1 1 11 CYS HB3 H -1.710 12.023 -15.317 1.00 . A A . 10 CYS HB3 1 1 16 7882 1 1 11 CYS N N -0.037 12.689 -13.356 1.00 . A A . 10 CYS N 1 1 16 7883 1 1 11 CYS O O -2.878 11.354 -11.598 1.00 . A A . 10 CYS O 1 1 16 7884 1 1 11 CYS SG S -0.976 9.989 -14.319 1.00 . A A . 10 CYS SG 1 1 16 7885 1 1 12 CYS C C -1.540 9.271 -9.902 1.00 . A A . 11 CYS C 1 1 16 7886 1 1 12 CYS CA C -0.990 10.671 -9.731 1.00 . A A . 11 CYS CA 1 1 16 7887 1 1 12 CYS CB C -1.905 11.568 -8.862 1.00 . A A . 11 CYS CB 1 1 16 7888 1 1 12 CYS H H 0.233 11.604 -11.174 1.00 . A A . 11 CYS H 1 1 16 7889 1 1 12 CYS HA H -0.041 10.550 -9.189 1.00 . A A . 11 CYS HA 1 1 16 7890 1 1 12 CYS HB2 H -1.726 12.625 -9.116 1.00 . A A . 11 CYS HB2 1 1 16 7891 1 1 12 CYS HB3 H -2.964 11.334 -9.045 1.00 . A A . 11 CYS HB3 1 1 16 7892 1 1 12 CYS HG H -0.650 11.824 -7.072 1.00 . A A . 11 CYS HG 1 1 16 7893 1 1 12 CYS N N -0.716 11.354 -10.996 1.00 . A A . 11 CYS N 1 1 16 7894 1 1 12 CYS O O -2.101 8.724 -8.964 1.00 . A A . 11 CYS O 1 1 16 7895 1 1 12 CYS SG S -1.545 11.358 -7.087 1.00 . A A . 11 CYS SG 1 1 16 7896 1 1 13 LEU C C -0.974 6.327 -10.740 1.00 . A A . 12 LEU C 1 1 16 7897 1 1 13 LEU CA C -1.916 7.337 -11.352 1.00 . A A . 12 LEU CA 1 1 16 7898 1 1 13 LEU CB C -2.000 7.083 -12.882 1.00 . A A . 12 LEU CB 1 1 16 7899 1 1 13 LEU CD1 C -4.211 5.772 -13.176 1.00 . A A . 12 LEU CD1 1 1 16 7900 1 1 13 LEU CD2 C -2.129 5.101 -14.571 1.00 . A A . 12 LEU CD2 1 1 16 7901 1 1 13 LEU CG C -2.655 5.713 -13.240 1.00 . A A . 12 LEU CG 1 1 16 7902 1 1 13 LEU H H -0.881 9.105 -11.827 1.00 . A A . 12 LEU H 1 1 16 7903 1 1 13 LEU HA H -2.930 7.277 -10.926 1.00 . A A . 12 LEU HA 1 1 16 7904 1 1 13 LEU HB2 H -2.559 7.901 -13.359 1.00 . A A . 12 LEU HB2 1 1 16 7905 1 1 13 LEU HB3 H -0.962 7.127 -13.246 1.00 . A A . 12 LEU HB3 1 1 16 7906 1 1 13 LEU HD11 H -4.585 5.169 -12.337 1.00 . A A . 12 LEU HD11 1 1 16 7907 1 1 13 LEU HD12 H -4.693 5.395 -14.090 1.00 . A A . 12 LEU HD12 1 1 16 7908 1 1 13 LEU HD13 H -4.550 6.803 -13.016 1.00 . A A . 12 LEU HD13 1 1 16 7909 1 1 13 LEU HD21 H -1.911 4.031 -14.432 1.00 . A A . 12 LEU HD21 1 1 16 7910 1 1 13 LEU HD22 H -1.200 5.581 -14.903 1.00 . A A . 12 LEU HD22 1 1 16 7911 1 1 13 LEU HD23 H -2.860 5.174 -15.383 1.00 . A A . 12 LEU HD23 1 1 16 7912 1 1 13 LEU HG H -2.333 4.989 -12.484 1.00 . A A . 12 LEU HG 1 1 16 7913 1 1 13 LEU N N -1.382 8.666 -11.096 1.00 . A A . 12 LEU N 1 1 16 7914 1 1 13 LEU O O 0.232 6.502 -10.842 1.00 . A A . 12 LEU O 1 1 16 7915 1 1 14 ASN C C -0.092 3.368 -10.604 1.00 . A A . 13 ASN C 1 1 16 7916 1 1 14 ASN CA C -0.672 4.242 -9.520 1.00 . A A . 13 ASN CA 1 1 16 7917 1 1 14 ASN CB C -1.455 3.330 -8.536 1.00 . A A . 13 ASN CB 1 1 16 7918 1 1 14 ASN CG C -0.730 3.202 -7.228 1.00 . A A . 13 ASN CG 1 1 16 7919 1 1 14 ASN H H -2.513 5.151 -10.073 1.00 . A A . 13 ASN H 1 1 16 7920 1 1 14 ASN HA H 0.128 4.753 -8.968 1.00 . A A . 13 ASN HA 1 1 16 7921 1 1 14 ASN HB2 H -2.444 3.743 -8.290 1.00 . A A . 13 ASN HB2 1 1 16 7922 1 1 14 ASN HB3 H -1.612 2.330 -8.972 1.00 . A A . 13 ASN HB3 1 1 16 7923 1 1 14 ASN HD21 H -1.140 5.133 -6.714 1.00 . A A . 13 ASN HD21 1 1 16 7924 1 1 14 ASN HD22 H -0.244 4.216 -5.540 1.00 . A A . 13 ASN HD22 1 1 16 7925 1 1 14 ASN N N -1.522 5.266 -10.110 1.00 . A A . 13 ASN N 1 1 16 7926 1 1 14 ASN ND2 N -0.699 4.282 -6.427 1.00 . A A . 13 ASN ND2 1 1 16 7927 1 1 14 ASN O O -0.774 3.144 -11.592 1.00 . A A . 13 ASN O 1 1 16 7928 1 1 14 ASN OD1 O -0.209 2.142 -6.927 1.00 . A A . 13 ASN OD1 1 1 16 7929 1 1 15 ASN C C 2.675 0.982 -10.845 1.00 . A A . 14 ASN C 1 1 16 7930 1 1 15 ASN CA C 1.718 1.978 -11.453 1.00 . A A . 14 ASN CA 1 1 16 7931 1 1 15 ASN CB C 2.539 2.828 -12.440 1.00 . A A . 14 ASN CB 1 1 16 7932 1 1 15 ASN CG C 1.660 3.435 -13.496 1.00 . A A . 14 ASN CG 1 1 16 7933 1 1 15 ASN H H 1.707 3.099 -9.649 1.00 . A A . 14 ASN H 1 1 16 7934 1 1 15 ASN HA H 0.919 1.436 -11.982 1.00 . A A . 14 ASN HA 1 1 16 7935 1 1 15 ASN HB2 H 3.054 3.591 -11.844 1.00 . A A . 14 ASN HB2 1 1 16 7936 1 1 15 ASN HB3 H 3.304 2.213 -12.930 1.00 . A A . 14 ASN HB3 1 1 16 7937 1 1 15 ASN HD21 H 2.102 5.386 -12.984 1.00 . A A . 14 ASN HD21 1 1 16 7938 1 1 15 ASN HD22 H 1.014 5.160 -14.294 1.00 . A A . 14 ASN HD22 1 1 16 7939 1 1 15 ASN N N 1.144 2.854 -10.439 1.00 . A A . 14 ASN N 1 1 16 7940 1 1 15 ASN ND2 N 1.598 4.774 -13.591 1.00 . A A . 14 ASN ND2 1 1 16 7941 1 1 15 ASN O O 3.360 1.330 -9.897 1.00 . A A . 14 ASN O 1 1 16 7942 1 1 15 ASN OD1 O 1.028 2.710 -14.248 1.00 . A A . 14 ASN OD1 1 1 16 7943 1 1 16 PHE C C 5.014 -0.842 -10.717 1.00 . A A . 15 PHE C 1 1 16 7944 1 1 16 PHE CA C 3.573 -1.298 -10.835 1.00 . A A . 15 PHE CA 1 1 16 7945 1 1 16 PHE CB C 3.550 -2.612 -11.680 1.00 . A A . 15 PHE CB 1 1 16 7946 1 1 16 PHE CD1 C 3.903 -4.405 -9.903 1.00 . A A . 15 PHE CD1 1 1 16 7947 1 1 16 PHE CD2 C 1.820 -4.401 -11.113 1.00 . A A . 15 PHE CD2 1 1 16 7948 1 1 16 PHE CE1 C 3.471 -5.497 -9.151 1.00 . A A . 15 PHE CE1 1 1 16 7949 1 1 16 PHE CE2 C 1.406 -5.528 -10.398 1.00 . A A . 15 PHE CE2 1 1 16 7950 1 1 16 PHE CG C 3.078 -3.832 -10.876 1.00 . A A . 15 PHE CG 1 1 16 7951 1 1 16 PHE CZ C 2.227 -6.073 -9.409 1.00 . A A . 15 PHE CZ 1 1 16 7952 1 1 16 PHE H H 2.133 -0.477 -12.166 1.00 . A A . 15 PHE H 1 1 16 7953 1 1 16 PHE HA H 3.155 -1.523 -9.842 1.00 . A A . 15 PHE HA 1 1 16 7954 1 1 16 PHE HB2 H 2.908 -2.525 -12.570 1.00 . A A . 15 PHE HB2 1 1 16 7955 1 1 16 PHE HB3 H 4.556 -2.829 -12.064 1.00 . A A . 15 PHE HB3 1 1 16 7956 1 1 16 PHE HD1 H 4.892 -4.013 -9.719 1.00 . A A . 15 PHE HD1 1 1 16 7957 1 1 16 PHE HD2 H 1.152 -3.978 -11.855 1.00 . A A . 15 PHE HD2 1 1 16 7958 1 1 16 PHE HE1 H 4.104 -5.901 -8.368 1.00 . A A . 15 PHE HE1 1 1 16 7959 1 1 16 PHE HE2 H 0.445 -5.981 -10.611 1.00 . A A . 15 PHE HE2 1 1 16 7960 1 1 16 PHE HZ H 1.900 -6.939 -8.844 1.00 . A A . 15 PHE HZ 1 1 16 7961 1 1 16 PHE N N 2.727 -0.250 -11.400 1.00 . A A . 15 PHE N 1 1 16 7962 1 1 16 PHE O O 5.490 -0.112 -11.573 1.00 . A A . 15 PHE O 1 1 16 7963 1 1 17 ARG C C 7.995 -1.525 -10.677 1.00 . A A . 16 ARG C 1 1 16 7964 1 1 17 ARG CA C 7.163 -0.979 -9.552 1.00 . A A . 16 ARG CA 1 1 16 7965 1 1 17 ARG CB C 7.802 -1.477 -8.231 1.00 . A A . 16 ARG CB 1 1 16 7966 1 1 17 ARG CD C 8.924 -0.760 -6.028 1.00 . A A . 16 ARG CD 1 1 16 7967 1 1 17 ARG CG C 7.893 -0.384 -7.136 1.00 . A A . 16 ARG CG 1 1 16 7968 1 1 17 ARG CZ C 10.858 0.192 -4.877 1.00 . A A . 16 ARG CZ 1 1 16 7969 1 1 17 ARG H H 5.303 -1.853 -8.963 1.00 . A A . 16 ARG H 1 1 16 7970 1 1 17 ARG HA H 7.313 0.092 -9.678 1.00 . A A . 16 ARG HA 1 1 16 7971 1 1 17 ARG HB2 H 7.216 -2.313 -7.849 1.00 . A A . 16 ARG HB2 1 1 16 7972 1 1 17 ARG HB3 H 8.811 -1.853 -8.456 1.00 . A A . 16 ARG HB3 1 1 16 7973 1 1 17 ARG HD2 H 8.358 -0.850 -5.087 1.00 . A A . 16 ARG HD2 1 1 16 7974 1 1 17 ARG HD3 H 9.419 -1.718 -6.248 1.00 . A A . 16 ARG HD3 1 1 16 7975 1 1 17 ARG HE H 10.054 0.986 -6.550 1.00 . A A . 16 ARG HE 1 1 16 7976 1 1 17 ARG HG2 H 8.160 0.570 -7.606 1.00 . A A . 16 ARG HG2 1 1 16 7977 1 1 17 ARG HG3 H 6.899 -0.246 -6.689 1.00 . A A . 16 ARG HG3 1 1 16 7978 1 1 17 ARG HH11 H 10.240 -1.552 -4.000 1.00 . A A . 16 ARG HH11 1 1 16 7979 1 1 17 ARG HH12 H 11.579 -0.736 -3.211 1.00 . A A . 16 ARG HH12 1 1 16 7980 1 1 17 ARG HH21 H 11.758 1.926 -5.483 1.00 . A A . 16 ARG HH21 1 1 16 7981 1 1 17 ARG HH22 H 12.436 1.179 -4.041 1.00 . A A . 16 ARG HH22 1 1 16 7982 1 1 17 ARG N N 5.739 -1.292 -9.670 1.00 . A A . 16 ARG N 1 1 16 7983 1 1 17 ARG NE N 9.992 0.225 -5.862 1.00 . A A . 16 ARG NE 1 1 16 7984 1 1 17 ARG NH1 N 10.887 -0.754 -3.973 1.00 . A A . 16 ARG NH1 1 1 16 7985 1 1 17 ARG NH2 N 11.739 1.159 -4.797 1.00 . A A . 16 ARG NH2 1 1 16 7986 1 1 17 ARG O O 9.026 -0.952 -10.993 1.00 . A A . 16 ARG O 1 1 16 7987 1 1 18 LYS C C 8.316 -2.099 -13.571 1.00 . A A . 17 LYS C 1 1 16 7988 1 1 18 LYS CA C 8.300 -3.116 -12.458 1.00 . A A . 17 LYS CA 1 1 16 7989 1 1 18 LYS CB C 7.616 -4.429 -12.902 1.00 . A A . 17 LYS CB 1 1 16 7990 1 1 18 LYS CD C 8.042 -6.488 -14.328 1.00 . A A . 17 LYS CD 1 1 16 7991 1 1 18 LYS CE C 9.314 -7.180 -13.745 1.00 . A A . 17 LYS CE 1 1 16 7992 1 1 18 LYS CG C 8.133 -4.942 -14.267 1.00 . A A . 17 LYS CG 1 1 16 7993 1 1 18 LYS H H 6.742 -3.095 -10.994 1.00 . A A . 17 LYS H 1 1 16 7994 1 1 18 LYS HA H 9.340 -3.336 -12.169 1.00 . A A . 17 LYS HA 1 1 16 7995 1 1 18 LYS HB2 H 7.797 -5.166 -12.104 1.00 . A A . 17 LYS HB2 1 1 16 7996 1 1 18 LYS HB3 H 6.527 -4.284 -13.004 1.00 . A A . 17 LYS HB3 1 1 16 7997 1 1 18 LYS HD2 H 7.149 -6.827 -13.775 1.00 . A A . 17 LYS HD2 1 1 16 7998 1 1 18 LYS HD3 H 7.883 -6.750 -15.383 1.00 . A A . 17 LYS HD3 1 1 16 7999 1 1 18 LYS HE2 H 10.044 -6.442 -13.373 1.00 . A A . 17 LYS HE2 1 1 16 8000 1 1 18 LYS HE3 H 9.010 -7.773 -12.867 1.00 . A A . 17 LYS HE3 1 1 16 8001 1 1 18 LYS HG2 H 7.498 -4.501 -15.053 1.00 . A A . 17 LYS HG2 1 1 16 8002 1 1 18 LYS HG3 H 9.168 -4.632 -14.465 1.00 . A A . 17 LYS HG3 1 1 16 8003 1 1 18 LYS HZ1 H 9.428 -8.365 -15.582 1.00 . A A . 17 LYS HZ1 1 1 16 8004 1 1 18 LYS HZ2 H 10.303 -8.989 -14.250 1.00 . A A . 17 LYS HZ2 1 1 16 8005 1 1 18 LYS HZ3 H 10.905 -7.601 -15.104 1.00 . A A . 17 LYS HZ3 1 1 16 8006 1 1 18 LYS N N 7.567 -2.629 -11.301 1.00 . A A . 17 LYS N 1 1 16 8007 1 1 18 LYS NZ N 10.004 -8.062 -14.720 1.00 . A A . 17 LYS NZ 1 1 16 8008 1 1 18 LYS O O 9.190 -2.163 -14.421 1.00 . A A . 17 LYS O 1 1 16 8009 1 1 19 ARG C C 8.232 0.930 -14.506 1.00 . A A . 18 ARG C 1 1 16 8010 1 1 19 ARG CA C 7.307 -0.239 -14.737 1.00 . A A . 18 ARG CA 1 1 16 8011 1 1 19 ARG CB C 5.871 0.323 -14.901 1.00 . A A . 18 ARG CB 1 1 16 8012 1 1 19 ARG CD C 4.386 1.370 -16.738 1.00 . A A . 18 ARG CD 1 1 16 8013 1 1 19 ARG CG C 5.264 0.159 -16.320 1.00 . A A . 18 ARG CG 1 1 16 8014 1 1 19 ARG CZ C 2.096 0.600 -16.352 1.00 . A A . 18 ARG CZ 1 1 16 8015 1 1 19 ARG H H 6.719 -1.025 -12.852 1.00 . A A . 18 ARG H 1 1 16 8016 1 1 19 ARG HA H 7.616 -0.776 -15.645 1.00 . A A . 18 ARG HA 1 1 16 8017 1 1 19 ARG HB2 H 5.186 -0.163 -14.194 1.00 . A A . 18 ARG HB2 1 1 16 8018 1 1 19 ARG HB3 H 5.923 1.376 -14.624 1.00 . A A . 18 ARG HB3 1 1 16 8019 1 1 19 ARG HD2 H 4.291 2.167 -15.985 1.00 . A A . 18 ARG HD2 1 1 16 8020 1 1 19 ARG HD3 H 4.891 1.817 -17.609 1.00 . A A . 18 ARG HD3 1 1 16 8021 1 1 19 ARG HE H 2.881 0.966 -18.185 1.00 . A A . 18 ARG HE 1 1 16 8022 1 1 19 ARG HG2 H 6.046 0.036 -17.083 1.00 . A A . 18 ARG HG2 1 1 16 8023 1 1 19 ARG HG3 H 4.650 -0.755 -16.327 1.00 . A A . 18 ARG HG3 1 1 16 8024 1 1 19 ARG HH11 H 3.162 0.710 -14.633 1.00 . A A . 18 ARG HH11 1 1 16 8025 1 1 19 ARG HH12 H 1.482 0.270 -14.439 1.00 . A A . 18 ARG HH12 1 1 16 8026 1 1 19 ARG HH21 H 0.725 0.349 -17.843 1.00 . A A . 18 ARG HH21 1 1 16 8027 1 1 19 ARG HH22 H 0.137 0.052 -16.210 1.00 . A A . 18 ARG HH22 1 1 16 8028 1 1 19 ARG N N 7.363 -1.149 -13.604 1.00 . A A . 18 ARG N 1 1 16 8029 1 1 19 ARG NE N 3.060 0.948 -17.173 1.00 . A A . 18 ARG NE 1 1 16 8030 1 1 19 ARG NH1 N 2.261 0.519 -15.061 1.00 . A A . 18 ARG NH1 1 1 16 8031 1 1 19 ARG NH2 N 0.914 0.315 -16.833 1.00 . A A . 18 ARG NH2 1 1 16 8032 1 1 19 ARG O O 8.667 1.130 -13.383 1.00 . A A . 18 ARG O 1 1 16 8033 1 1 20 LEU C C 8.782 4.071 -16.179 1.00 . A A . 19 LEU C 1 1 16 8034 1 1 20 LEU CA C 9.356 2.889 -15.444 1.00 . A A . 19 LEU CA 1 1 16 8035 1 1 20 LEU CB C 10.780 2.536 -15.947 1.00 . A A . 19 LEU CB 1 1 16 8036 1 1 20 LEU CD1 C 12.742 0.997 -15.541 1.00 . A A . 19 LEU CD1 1 1 16 8037 1 1 20 LEU CD2 C 12.236 2.850 -13.856 1.00 . A A . 19 LEU CD2 1 1 16 8038 1 1 20 LEU CG C 11.627 1.827 -14.858 1.00 . A A . 19 LEU CG 1 1 16 8039 1 1 20 LEU H H 8.140 1.502 -16.482 1.00 . A A . 19 LEU H 1 1 16 8040 1 1 20 LEU HA H 9.389 3.224 -14.408 1.00 . A A . 19 LEU HA 1 1 16 8041 1 1 20 LEU HB2 H 10.652 1.887 -16.826 1.00 . A A . 19 LEU HB2 1 1 16 8042 1 1 20 LEU HB3 H 11.347 3.423 -16.266 1.00 . A A . 19 LEU HB3 1 1 16 8043 1 1 20 LEU HD11 H 13.487 0.666 -14.801 1.00 . A A . 19 LEU HD11 1 1 16 8044 1 1 20 LEU HD12 H 13.245 1.599 -16.313 1.00 . A A . 19 LEU HD12 1 1 16 8045 1 1 20 LEU HD13 H 12.299 0.108 -16.016 1.00 . A A . 19 LEU HD13 1 1 16 8046 1 1 20 LEU HD21 H 12.230 2.424 -12.840 1.00 . A A . 19 LEU HD21 1 1 16 8047 1 1 20 LEU HD22 H 11.674 3.794 -13.837 1.00 . A A . 19 LEU HD22 1 1 16 8048 1 1 20 LEU HD23 H 13.275 3.089 -14.127 1.00 . A A . 19 LEU HD23 1 1 16 8049 1 1 20 LEU HG H 10.995 1.119 -14.303 1.00 . A A . 19 LEU HG 1 1 16 8050 1 1 20 LEU N N 8.498 1.717 -15.573 1.00 . A A . 19 LEU N 1 1 16 8051 1 1 20 LEU O O 9.533 4.952 -16.556 1.00 . A A . 19 LEU O 1 1 16 8052 1 1 21 LYS C C 5.433 5.225 -17.121 1.00 . A A . 20 LYS C 1 1 16 8053 1 1 21 LYS CA C 6.930 5.269 -17.142 1.00 . A A . 20 LYS CA 1 1 16 8054 1 1 21 LYS CB C 7.429 5.324 -18.608 1.00 . A A . 20 LYS CB 1 1 16 8055 1 1 21 LYS CD C 8.049 3.848 -20.630 1.00 . A A . 20 LYS CD 1 1 16 8056 1 1 21 LYS CE C 7.110 3.816 -21.861 1.00 . A A . 20 LYS CE 1 1 16 8057 1 1 21 LYS CG C 7.281 3.937 -19.284 1.00 . A A . 20 LYS CG 1 1 16 8058 1 1 21 LYS H H 6.803 3.463 -16.052 1.00 . A A . 20 LYS H 1 1 16 8059 1 1 21 LYS HA H 7.252 6.158 -16.593 1.00 . A A . 20 LYS HA 1 1 16 8060 1 1 21 LYS HB2 H 6.857 6.081 -19.168 1.00 . A A . 20 LYS HB2 1 1 16 8061 1 1 21 LYS HB3 H 8.484 5.630 -18.608 1.00 . A A . 20 LYS HB3 1 1 16 8062 1 1 21 LYS HD2 H 8.735 4.701 -20.744 1.00 . A A . 20 LYS HD2 1 1 16 8063 1 1 21 LYS HD3 H 8.664 2.933 -20.635 1.00 . A A . 20 LYS HD3 1 1 16 8064 1 1 21 LYS HE2 H 6.500 4.733 -21.886 1.00 . A A . 20 LYS HE2 1 1 16 8065 1 1 21 LYS HE3 H 7.755 3.805 -22.755 1.00 . A A . 20 LYS HE3 1 1 16 8066 1 1 21 LYS HG2 H 7.683 3.156 -18.623 1.00 . A A . 20 LYS HG2 1 1 16 8067 1 1 21 LYS HG3 H 6.213 3.734 -19.428 1.00 . A A . 20 LYS HG3 1 1 16 8068 1 1 21 LYS HZ1 H 6.746 1.734 -21.545 1.00 . A A . 20 LYS HZ1 1 1 16 8069 1 1 21 LYS HZ2 H 5.918 2.427 -22.911 1.00 . A A . 20 LYS HZ2 1 1 16 8070 1 1 21 LYS HZ3 H 5.328 2.744 -21.328 1.00 . A A . 20 LYS HZ3 1 1 16 8071 1 1 21 LYS N N 7.453 4.139 -16.394 1.00 . A A . 20 LYS N 1 1 16 8072 1 1 21 LYS NZ N 6.237 2.620 -21.897 1.00 . A A . 20 LYS NZ 1 1 16 8073 1 1 21 LYS O O 4.849 4.190 -17.394 1.00 . A A . 20 LYS O 1 1 16 8074 1 1 22 CYS C C 2.674 5.947 -17.930 1.00 . A A . 21 CYS C 1 1 16 8075 1 1 22 CYS CA C 3.343 6.252 -16.614 1.00 . A A . 21 CYS CA 1 1 16 8076 1 1 22 CYS CB C 2.885 7.597 -16.041 1.00 . A A . 21 CYS CB 1 1 16 8077 1 1 22 CYS H H 5.237 7.210 -16.598 1.00 . A A . 21 CYS H 1 1 16 8078 1 1 22 CYS HA H 3.106 5.470 -15.876 1.00 . A A . 21 CYS HA 1 1 16 8079 1 1 22 CYS HB2 H 3.410 7.798 -15.097 1.00 . A A . 21 CYS HB2 1 1 16 8080 1 1 22 CYS HB3 H 3.054 8.414 -16.757 1.00 . A A . 21 CYS HB3 1 1 16 8081 1 1 22 CYS N N 4.775 6.335 -16.773 1.00 . A A . 21 CYS N 1 1 16 8082 1 1 22 CYS O O 2.973 6.608 -18.909 1.00 . A A . 21 CYS O 1 1 16 8083 1 1 22 CYS SG S 1.139 7.387 -15.696 1.00 . A A . 21 CYS SG 1 1 16 8084 1 1 23 PHE C C -0.011 5.585 -19.545 1.00 . A A . 22 PHE C 1 1 16 8085 1 1 23 PHE CA C 1.108 4.617 -19.234 1.00 . A A . 22 PHE CA 1 1 16 8086 1 1 23 PHE CB C 0.537 3.186 -19.100 1.00 . A A . 22 PHE CB 1 1 16 8087 1 1 23 PHE CD1 C 1.578 1.875 -21.005 1.00 . A A . 22 PHE CD1 1 1 16 8088 1 1 23 PHE CD2 C -0.768 2.431 -21.146 1.00 . A A . 22 PHE CD2 1 1 16 8089 1 1 23 PHE CE1 C 1.495 1.196 -22.221 1.00 . A A . 22 PHE CE1 1 1 16 8090 1 1 23 PHE CE2 C -0.851 1.762 -22.369 1.00 . A A . 22 PHE CE2 1 1 16 8091 1 1 23 PHE CG C 0.444 2.481 -20.455 1.00 . A A . 22 PHE CG 1 1 16 8092 1 1 23 PHE CZ C 0.280 1.143 -22.906 1.00 . A A . 22 PHE CZ 1 1 16 8093 1 1 23 PHE H H 1.499 4.462 -17.140 1.00 . A A . 22 PHE H 1 1 16 8094 1 1 23 PHE HA H 1.852 4.624 -20.047 1.00 . A A . 22 PHE HA 1 1 16 8095 1 1 23 PHE HB2 H 1.233 2.597 -18.494 1.00 . A A . 22 PHE HB2 1 1 16 8096 1 1 23 PHE HB3 H -0.433 3.200 -18.579 1.00 . A A . 22 PHE HB3 1 1 16 8097 1 1 23 PHE HD1 H 2.533 1.927 -20.493 1.00 . A A . 22 PHE HD1 1 1 16 8098 1 1 23 PHE HD2 H -1.651 2.910 -20.737 1.00 . A A . 22 PHE HD2 1 1 16 8099 1 1 23 PHE HE1 H 2.373 0.710 -22.636 1.00 . A A . 22 PHE HE1 1 1 16 8100 1 1 23 PHE HE2 H -1.794 1.724 -22.902 1.00 . A A . 22 PHE HE2 1 1 16 8101 1 1 23 PHE HZ H 0.215 0.624 -23.857 1.00 . A A . 22 PHE HZ 1 1 16 8102 1 1 23 PHE N N 1.767 4.949 -17.974 1.00 . A A . 22 PHE N 1 1 16 8103 1 1 23 PHE O O -0.442 5.652 -20.685 1.00 . A A . 22 PHE O 1 1 16 8104 1 1 24 ARG C C -1.127 8.493 -19.478 1.00 . A A . 23 ARG C 1 1 16 8105 1 1 24 ARG CA C -1.603 7.263 -18.741 1.00 . A A . 23 ARG CA 1 1 16 8106 1 1 24 ARG CB C -2.203 7.699 -17.373 1.00 . A A . 23 ARG CB 1 1 16 8107 1 1 24 ARG CD C -4.128 9.054 -16.298 1.00 . A A . 23 ARG CD 1 1 16 8108 1 1 24 ARG CG C -3.671 8.170 -17.497 1.00 . A A . 23 ARG CG 1 1 16 8109 1 1 24 ARG CZ C -5.764 9.101 -14.474 1.00 . A A . 23 ARG CZ 1 1 16 8110 1 1 24 ARG H H -0.140 6.249 -17.615 1.00 . A A . 23 ARG H 1 1 16 8111 1 1 24 ARG HA H -2.386 6.748 -19.319 1.00 . A A . 23 ARG HA 1 1 16 8112 1 1 24 ARG HB2 H -2.201 6.848 -16.695 1.00 . A A . 23 ARG HB2 1 1 16 8113 1 1 24 ARG HB3 H -1.591 8.477 -16.903 1.00 . A A . 23 ARG HB3 1 1 16 8114 1 1 24 ARG HD2 H -3.277 9.344 -15.675 1.00 . A A . 23 ARG HD2 1 1 16 8115 1 1 24 ARG HD3 H -4.550 9.956 -16.765 1.00 . A A . 23 ARG HD3 1 1 16 8116 1 1 24 ARG HE H -5.218 7.418 -15.465 1.00 . A A . 23 ARG HE 1 1 16 8117 1 1 24 ARG HG2 H -3.741 8.764 -18.421 1.00 . A A . 23 ARG HG2 1 1 16 8118 1 1 24 ARG HG3 H -4.316 7.285 -17.619 1.00 . A A . 23 ARG HG3 1 1 16 8119 1 1 24 ARG HH11 H -5.081 10.981 -14.889 1.00 . A A . 23 ARG HH11 1 1 16 8120 1 1 24 ARG HH12 H -6.206 10.873 -13.558 1.00 . A A . 23 ARG HH12 1 1 16 8121 1 1 24 ARG HH21 H -6.726 7.432 -13.793 1.00 . A A . 23 ARG HH21 1 1 16 8122 1 1 24 ARG HH22 H -7.121 8.929 -12.959 1.00 . A A . 23 ARG HH22 1 1 16 8123 1 1 24 ARG N N -0.503 6.331 -18.533 1.00 . A A . 23 ARG N 1 1 16 8124 1 1 24 ARG NE N -5.089 8.435 -15.385 1.00 . A A . 23 ARG NE 1 1 16 8125 1 1 24 ARG NH1 N -5.673 10.396 -14.297 1.00 . A A . 23 ARG NH1 1 1 16 8126 1 1 24 ARG NH2 N -6.585 8.446 -13.692 1.00 . A A . 23 ARG NH2 1 1 16 8127 1 1 24 ARG O O -1.592 8.745 -20.577 1.00 . A A . 23 ARG O 1 1 16 8128 1 1 25 CYS C C 1.440 10.142 -20.405 1.00 . A A . 24 CYS C 1 1 16 8129 1 1 25 CYS CA C 0.267 10.491 -19.523 1.00 . A A . 24 CYS CA 1 1 16 8130 1 1 25 CYS CB C 0.593 11.598 -18.483 1.00 . A A . 24 CYS CB 1 1 16 8131 1 1 25 CYS H H 0.229 9.016 -18.018 1.00 . A A . 24 CYS H 1 1 16 8132 1 1 25 CYS HA H -0.523 10.918 -20.162 1.00 . A A . 24 CYS HA 1 1 16 8133 1 1 25 CYS HB2 H 1.040 12.471 -18.982 1.00 . A A . 24 CYS HB2 1 1 16 8134 1 1 25 CYS HB3 H -0.334 11.913 -17.981 1.00 . A A . 24 CYS HB3 1 1 16 8135 1 1 25 CYS N N -0.204 9.276 -18.875 1.00 . A A . 24 CYS N 1 1 16 8136 1 1 25 CYS O O 1.739 10.925 -21.291 1.00 . A A . 24 CYS O 1 1 16 8137 1 1 25 CYS SG S 1.725 11.055 -17.170 1.00 . A A . 24 CYS SG 1 1 16 8138 1 1 26 GLY C C 4.543 9.200 -20.402 1.00 . A A . 25 GLY C 1 1 16 8139 1 1 26 GLY CA C 3.275 8.664 -21.022 1.00 . A A . 25 GLY CA 1 1 16 8140 1 1 26 GLY H H 1.921 8.335 -19.467 1.00 . A A . 25 GLY H 1 1 16 8141 1 1 26 GLY HA2 H 3.362 7.573 -21.134 1.00 . A A . 25 GLY HA2 1 1 16 8142 1 1 26 GLY HA3 H 3.165 9.079 -22.035 1.00 . A A . 25 GLY HA3 1 1 16 8143 1 1 26 GLY N N 2.119 8.985 -20.201 1.00 . A A . 25 GLY N 1 1 16 8144 1 1 26 GLY O O 5.602 8.905 -20.933 1.00 . A A . 25 GLY O 1 1 16 8145 1 1 27 ALA C C 6.385 9.695 -17.821 1.00 . A A . 26 ALA C 1 1 16 8146 1 1 27 ALA CA C 5.680 10.618 -18.780 1.00 . A A . 26 ALA CA 1 1 16 8147 1 1 27 ALA CB C 5.353 11.952 -18.061 1.00 . A A . 26 ALA CB 1 1 16 8148 1 1 27 ALA H H 3.626 10.168 -18.822 1.00 . A A . 26 ALA H 1 1 16 8149 1 1 27 ALA HA H 6.349 10.855 -19.622 1.00 . A A . 26 ALA HA 1 1 16 8150 1 1 27 ALA HB1 H 5.145 11.772 -16.995 1.00 . A A . 26 ALA HB1 1 1 16 8151 1 1 27 ALA HB2 H 6.207 12.642 -18.141 1.00 . A A . 26 ALA HB2 1 1 16 8152 1 1 27 ALA HB3 H 4.475 12.434 -18.517 1.00 . A A . 26 ALA HB3 1 1 16 8153 1 1 27 ALA N N 4.477 9.989 -19.306 1.00 . A A . 26 ALA N 1 1 16 8154 1 1 27 ALA O O 5.799 8.722 -17.371 1.00 . A A . 26 ALA O 1 1 16 8155 1 1 28 ASP C C 7.896 9.233 -15.210 1.00 . A A . 27 ASP C 1 1 16 8156 1 1 28 ASP CA C 8.412 9.113 -16.627 1.00 . A A . 27 ASP CA 1 1 16 8157 1 1 28 ASP CB C 9.937 9.365 -16.703 1.00 . A A . 27 ASP CB 1 1 16 8158 1 1 28 ASP CG C 10.686 8.091 -16.411 1.00 . A A . 27 ASP CG 1 1 16 8159 1 1 28 ASP H H 8.105 10.818 -17.863 1.00 . A A . 27 ASP H 1 1 16 8160 1 1 28 ASP HA H 8.263 8.097 -17.005 1.00 . A A . 27 ASP HA 1 1 16 8161 1 1 28 ASP HB2 H 10.212 9.681 -17.720 1.00 . A A . 27 ASP HB2 1 1 16 8162 1 1 28 ASP HB3 H 10.223 10.155 -15.994 1.00 . A A . 27 ASP HB3 1 1 16 8163 1 1 28 ASP N N 7.662 9.998 -17.504 1.00 . A A . 27 ASP N 1 1 16 8164 1 1 28 ASP O O 7.076 10.095 -14.940 1.00 . A A . 27 ASP O 1 1 16 8165 1 1 28 ASP OD1 O 10.676 7.666 -15.220 1.00 . A A . 27 ASP OD1 1 1 16 8166 1 1 28 ASP OD2 O 11.271 7.503 -17.359 1.00 . A A . 27 ASP OD2 1 1 16 8167 1 1 29 LYS C C 8.182 9.771 -12.314 1.00 . A A . 28 LYS C 1 1 16 8168 1 1 29 LYS CA C 7.896 8.416 -12.908 1.00 . A A . 28 LYS CA 1 1 16 8169 1 1 29 LYS CB C 8.641 7.384 -12.022 1.00 . A A . 28 LYS CB 1 1 16 8170 1 1 29 LYS CD C 9.513 4.999 -11.809 1.00 . A A . 28 LYS CD 1 1 16 8171 1 1 29 LYS CE C 9.038 4.477 -10.434 1.00 . A A . 28 LYS CE 1 1 16 8172 1 1 29 LYS CG C 8.473 5.918 -12.499 1.00 . A A . 28 LYS CG 1 1 16 8173 1 1 29 LYS H H 9.116 7.757 -14.527 1.00 . A A . 28 LYS H 1 1 16 8174 1 1 29 LYS HA H 6.814 8.209 -12.884 1.00 . A A . 28 LYS HA 1 1 16 8175 1 1 29 LYS HB2 H 9.710 7.635 -12.033 1.00 . A A . 28 LYS HB2 1 1 16 8176 1 1 29 LYS HB3 H 8.284 7.472 -10.983 1.00 . A A . 28 LYS HB3 1 1 16 8177 1 1 29 LYS HD2 H 9.687 4.107 -12.414 1.00 . A A . 28 LYS HD2 1 1 16 8178 1 1 29 LYS HD3 H 10.484 5.511 -11.735 1.00 . A A . 28 LYS HD3 1 1 16 8179 1 1 29 LYS HE2 H 8.201 5.075 -10.048 1.00 . A A . 28 LYS HE2 1 1 16 8180 1 1 29 LYS HE3 H 8.706 3.432 -10.553 1.00 . A A . 28 LYS HE3 1 1 16 8181 1 1 29 LYS HG2 H 7.452 5.602 -12.271 1.00 . A A . 28 LYS HG2 1 1 16 8182 1 1 29 LYS HG3 H 8.609 5.807 -13.582 1.00 . A A . 28 LYS HG3 1 1 16 8183 1 1 29 LYS HZ1 H 10.416 5.550 -9.268 1.00 . A A . 28 LYS HZ1 1 1 16 8184 1 1 29 LYS HZ2 H 10.996 3.974 -9.811 1.00 . A A . 28 LYS HZ2 1 1 16 8185 1 1 29 LYS HZ3 H 9.800 4.087 -8.524 1.00 . A A . 28 LYS HZ3 1 1 16 8186 1 1 29 LYS N N 8.381 8.387 -14.281 1.00 . A A . 28 LYS N 1 1 16 8187 1 1 29 LYS NZ N 10.136 4.522 -9.453 1.00 . A A . 28 LYS NZ 1 1 16 8188 1 1 29 LYS O O 7.263 10.393 -11.807 1.00 . A A . 28 LYS O 1 1 16 8189 1 1 30 PHE C C 9.905 12.540 -12.904 1.00 . A A . 29 PHE C 1 1 16 8190 1 1 30 PHE CA C 9.823 11.516 -11.797 1.00 . A A . 29 PHE CA 1 1 16 8191 1 1 30 PHE CB C 11.184 11.401 -11.044 1.00 . A A . 29 PHE CB 1 1 16 8192 1 1 30 PHE CD1 C 10.608 13.120 -9.259 1.00 . A A . 29 PHE CD1 1 1 16 8193 1 1 30 PHE CD2 C 11.459 10.976 -8.547 1.00 . A A . 29 PHE CD2 1 1 16 8194 1 1 30 PHE CE1 C 10.491 13.517 -7.925 1.00 . A A . 29 PHE CE1 1 1 16 8195 1 1 30 PHE CE2 C 11.360 11.378 -7.213 1.00 . A A . 29 PHE CE2 1 1 16 8196 1 1 30 PHE CG C 11.080 11.843 -9.577 1.00 . A A . 29 PHE CG 1 1 16 8197 1 1 30 PHE CZ C 10.872 12.648 -6.901 1.00 . A A . 29 PHE CZ 1 1 16 8198 1 1 30 PHE H H 10.157 9.732 -12.892 1.00 . A A . 29 PHE H 1 1 16 8199 1 1 30 PHE HA H 9.055 11.853 -11.085 1.00 . A A . 29 PHE HA 1 1 16 8200 1 1 30 PHE HB2 H 11.529 10.358 -11.074 1.00 . A A . 29 PHE HB2 1 1 16 8201 1 1 30 PHE HB3 H 11.974 12.006 -11.512 1.00 . A A . 29 PHE HB3 1 1 16 8202 1 1 30 PHE HD1 H 10.330 13.814 -10.045 1.00 . A A . 29 PHE HD1 1 1 16 8203 1 1 30 PHE HD2 H 11.836 9.985 -8.768 1.00 . A A . 29 PHE HD2 1 1 16 8204 1 1 30 PHE HE1 H 10.104 14.502 -7.684 1.00 . A A . 29 PHE HE1 1 1 16 8205 1 1 30 PHE HE2 H 11.663 10.703 -6.421 1.00 . A A . 29 PHE HE2 1 1 16 8206 1 1 30 PHE HZ H 10.789 12.959 -5.865 1.00 . A A . 29 PHE HZ 1 1 16 8207 1 1 30 PHE N N 9.455 10.228 -12.379 1.00 . A A . 29 PHE N 1 1 16 8208 1 1 30 PHE O O 10.577 13.540 -12.726 1.00 . A A . 29 PHE O 1 1 16 8209 1 1 31 ASP C C 10.757 13.458 -15.662 1.00 . A A . 30 ASP C 1 1 16 8210 1 1 31 ASP CA C 9.336 13.227 -15.186 1.00 . A A . 30 ASP CA 1 1 16 8211 1 1 31 ASP CB C 8.492 14.503 -14.944 1.00 . A A . 30 ASP CB 1 1 16 8212 1 1 31 ASP CG C 9.261 15.638 -14.330 1.00 . A A . 30 ASP CG 1 1 16 8213 1 1 31 ASP H H 8.623 11.533 -14.168 1.00 . A A . 30 ASP H 1 1 16 8214 1 1 31 ASP HA H 8.834 12.712 -16.024 1.00 . A A . 30 ASP HA 1 1 16 8215 1 1 31 ASP HB2 H 8.108 14.863 -15.911 1.00 . A A . 30 ASP HB2 1 1 16 8216 1 1 31 ASP HB3 H 7.630 14.242 -14.309 1.00 . A A . 30 ASP HB3 1 1 16 8217 1 1 31 ASP N N 9.239 12.310 -14.056 1.00 . A A . 30 ASP N 1 1 16 8218 1 1 31 ASP O O 11.064 13.046 -16.770 1.00 . A A . 30 ASP O 1 1 16 8219 1 1 31 ASP OD1 O 10.001 16.324 -15.087 1.00 . A A . 30 ASP OD1 1 1 16 8220 1 1 31 ASP OD2 O 9.131 15.864 -13.097 1.00 . A A . 30 ASP OD2 1 1 16 8221 1 1 32 NH2 HN1 H 11.451 14.406 -13.977 1.00 . A A . 31 NH2 HN1 1 1 16 8222 1 1 32 NH2 HN2 H 12.588 14.250 -15.263 1.00 . A A . 31 NH2 HN2 1 1 16 8223 1 1 32 NH2 N N 11.673 14.089 -14.901 1.00 . A A . 31 NH2 N 1 1 16 8224 2 2 1 ZN ZN ZN 1.189 9.746 -15.265 1.00 . B A . 32 ZN ZN 1 1 17 8225 1 1 1 ACE C C -0.749 -0.348 -2.512 1.00 . A A . 0 ACE C 1 1 17 8226 1 1 1 ACE CH3 C -2.182 -0.547 -2.113 1.00 . A A . 0 ACE CH3 1 1 17 8227 1 1 1 ACE H1 H -2.535 0.339 -1.566 1.00 . A A . 0 ACE H1 1 1 17 8228 1 1 1 ACE H2 H -2.267 -1.437 -1.472 1.00 . A A . 0 ACE H2 1 1 17 8229 1 1 1 ACE H3 H -2.805 -0.689 -3.008 1.00 . A A . 0 ACE H3 1 1 17 8230 1 1 1 ACE O O -0.475 -0.329 -3.699 1.00 . A A . 0 ACE O 1 1 17 8231 1 1 2 LYS C C 2.252 -1.295 -2.221 1.00 . A A . 1 LYS C 1 1 17 8232 1 1 2 LYS CA C 1.581 0.023 -1.894 1.00 . A A . 1 LYS CA 1 1 17 8233 1 1 2 LYS CB C 2.282 0.749 -0.711 1.00 . A A . 1 LYS CB 1 1 17 8234 1 1 2 LYS CD C 4.326 2.140 -0.026 1.00 . A A . 1 LYS CD 1 1 17 8235 1 1 2 LYS CE C 5.467 1.116 0.203 1.00 . A A . 1 LYS CE 1 1 17 8236 1 1 2 LYS CG C 3.404 1.703 -1.194 1.00 . A A . 1 LYS CG 1 1 17 8237 1 1 2 LYS H H -0.078 -0.298 -0.581 1.00 . A A . 1 LYS H 1 1 17 8238 1 1 2 LYS HA H 1.632 0.682 -2.775 1.00 . A A . 1 LYS HA 1 1 17 8239 1 1 2 LYS HB2 H 1.554 1.387 -0.184 1.00 . A A . 1 LYS HB2 1 1 17 8240 1 1 2 LYS HB3 H 2.652 0.012 0.017 1.00 . A A . 1 LYS HB3 1 1 17 8241 1 1 2 LYS HD2 H 4.783 3.112 -0.272 1.00 . A A . 1 LYS HD2 1 1 17 8242 1 1 2 LYS HD3 H 3.733 2.262 0.893 1.00 . A A . 1 LYS HD3 1 1 17 8243 1 1 2 LYS HE2 H 5.047 0.130 0.456 1.00 . A A . 1 LYS HE2 1 1 17 8244 1 1 2 LYS HE3 H 6.061 1.016 -0.721 1.00 . A A . 1 LYS HE3 1 1 17 8245 1 1 2 LYS HG2 H 4.003 1.233 -1.990 1.00 . A A . 1 LYS HG2 1 1 17 8246 1 1 2 LYS HG3 H 2.920 2.599 -1.614 1.00 . A A . 1 LYS HG3 1 1 17 8247 1 1 2 LYS HZ1 H 7.104 0.785 1.490 1.00 . A A . 1 LYS HZ1 1 1 17 8248 1 1 2 LYS HZ2 H 5.827 1.742 2.201 1.00 . A A . 1 LYS HZ2 1 1 17 8249 1 1 2 LYS HZ3 H 6.901 2.453 1.011 1.00 . A A . 1 LYS HZ3 1 1 17 8250 1 1 2 LYS N N 0.181 -0.214 -1.544 1.00 . A A . 1 LYS N 1 1 17 8251 1 1 2 LYS NZ N 6.370 1.553 1.288 1.00 . A A . 1 LYS NZ 1 1 17 8252 1 1 2 LYS O O 3.307 -1.596 -1.685 1.00 . A A . 1 LYS O 1 1 17 8253 1 1 3 PHE C C 3.292 -3.215 -4.468 1.00 . A A . 2 PHE C 1 1 17 8254 1 1 3 PHE CA C 2.221 -3.419 -3.427 1.00 . A A . 2 PHE CA 1 1 17 8255 1 1 3 PHE CB C 1.134 -4.397 -3.946 1.00 . A A . 2 PHE CB 1 1 17 8256 1 1 3 PHE CD1 C 0.762 -5.990 -2.015 1.00 . A A . 2 PHE CD1 1 1 17 8257 1 1 3 PHE CD2 C -0.998 -4.421 -2.536 1.00 . A A . 2 PHE CD2 1 1 17 8258 1 1 3 PHE CE1 C -0.024 -6.542 -1.002 1.00 . A A . 2 PHE CE1 1 1 17 8259 1 1 3 PHE CE2 C -1.788 -4.977 -1.527 1.00 . A A . 2 PHE CE2 1 1 17 8260 1 1 3 PHE CG C 0.273 -4.941 -2.800 1.00 . A A . 2 PHE CG 1 1 17 8261 1 1 3 PHE CZ C -1.304 -6.040 -0.762 1.00 . A A . 2 PHE CZ 1 1 17 8262 1 1 3 PHE H H 0.894 -1.783 -3.670 1.00 . A A . 2 PHE H 1 1 17 8263 1 1 3 PHE HA H 2.680 -3.880 -2.537 1.00 . A A . 2 PHE HA 1 1 17 8264 1 1 3 PHE HB2 H 0.509 -3.910 -4.711 1.00 . A A . 2 PHE HB2 1 1 17 8265 1 1 3 PHE HB3 H 1.611 -5.272 -4.414 1.00 . A A . 2 PHE HB3 1 1 17 8266 1 1 3 PHE HD1 H 1.757 -6.384 -2.190 1.00 . A A . 2 PHE HD1 1 1 17 8267 1 1 3 PHE HD2 H -1.380 -3.587 -3.116 1.00 . A A . 2 PHE HD2 1 1 17 8268 1 1 3 PHE HE1 H 0.360 -7.363 -0.404 1.00 . A A . 2 PHE HE1 1 1 17 8269 1 1 3 PHE HE2 H -2.781 -4.585 -1.336 1.00 . A A . 2 PHE HE2 1 1 17 8270 1 1 3 PHE HZ H -1.919 -6.476 0.019 1.00 . A A . 2 PHE HZ 1 1 17 8271 1 1 3 PHE N N 1.658 -2.113 -3.113 1.00 . A A . 2 PHE N 1 1 17 8272 1 1 3 PHE O O 3.150 -3.685 -5.585 1.00 . A A . 2 PHE O 1 1 17 8273 1 1 4 GLU C C 5.034 -1.545 -6.227 1.00 . A A . 3 GLU C 1 1 17 8274 1 1 4 GLU CA C 5.493 -2.354 -5.036 1.00 . A A . 3 GLU CA 1 1 17 8275 1 1 4 GLU CB C 6.078 -3.759 -5.366 1.00 . A A . 3 GLU CB 1 1 17 8276 1 1 4 GLU CD C 8.414 -4.797 -5.176 1.00 . A A . 3 GLU CD 1 1 17 8277 1 1 4 GLU CG C 7.561 -3.741 -5.821 1.00 . A A . 3 GLU CG 1 1 17 8278 1 1 4 GLU H H 4.472 -2.139 -3.179 1.00 . A A . 3 GLU H 1 1 17 8279 1 1 4 GLU HA H 6.257 -1.764 -4.507 1.00 . A A . 3 GLU HA 1 1 17 8280 1 1 4 GLU HB2 H 6.014 -4.342 -4.436 1.00 . A A . 3 GLU HB2 1 1 17 8281 1 1 4 GLU HB3 H 5.482 -4.276 -6.135 1.00 . A A . 3 GLU HB3 1 1 17 8282 1 1 4 GLU HG2 H 7.630 -3.912 -6.904 1.00 . A A . 3 GLU HG2 1 1 17 8283 1 1 4 GLU HG3 H 8.025 -2.781 -5.572 1.00 . A A . 3 GLU HG3 1 1 17 8284 1 1 4 GLU N N 4.387 -2.520 -4.103 1.00 . A A . 3 GLU N 1 1 17 8285 1 1 4 GLU O O 4.980 -2.045 -7.339 1.00 . A A . 3 GLU O 1 1 17 8286 1 1 4 GLU OE1 O 7.934 -5.950 -5.022 1.00 . A A . 3 GLU OE1 1 1 17 8287 1 1 4 GLU OE2 O 9.580 -4.465 -4.827 1.00 . A A . 3 GLU OE2 1 1 17 8288 1 1 5 ASP C C 4.528 2.029 -6.785 1.00 . A A . 4 ASP C 1 1 17 8289 1 1 5 ASP CA C 4.197 0.586 -7.072 1.00 . A A . 4 ASP CA 1 1 17 8290 1 1 5 ASP CB C 2.676 0.351 -7.209 1.00 . A A . 4 ASP CB 1 1 17 8291 1 1 5 ASP CG C 2.029 0.455 -5.860 1.00 . A A . 4 ASP CG 1 1 17 8292 1 1 5 ASP H H 4.723 0.140 -5.075 1.00 . A A . 4 ASP H 1 1 17 8293 1 1 5 ASP HA H 4.696 0.352 -8.020 1.00 . A A . 4 ASP HA 1 1 17 8294 1 1 5 ASP HB2 H 2.229 1.070 -7.904 1.00 . A A . 4 ASP HB2 1 1 17 8295 1 1 5 ASP HB3 H 2.493 -0.659 -7.602 1.00 . A A . 4 ASP HB3 1 1 17 8296 1 1 5 ASP N N 4.700 -0.257 -5.994 1.00 . A A . 4 ASP N 1 1 17 8297 1 1 5 ASP O O 5.105 2.297 -5.742 1.00 . A A . 4 ASP O 1 1 17 8298 1 1 5 ASP OD1 O 1.894 1.595 -5.339 1.00 . A A . 4 ASP OD1 1 1 17 8299 1 1 5 ASP OD2 O 1.675 -0.619 -5.302 1.00 . A A . 4 ASP OD2 1 1 17 8300 1 1 6 TRP C C 3.343 5.193 -8.061 1.00 . A A . 5 TRP C 1 1 17 8301 1 1 6 TRP CA C 4.464 4.371 -7.482 1.00 . A A . 5 TRP CA 1 1 17 8302 1 1 6 TRP CB C 5.795 4.748 -8.168 1.00 . A A . 5 TRP CB 1 1 17 8303 1 1 6 TRP CD1 C 6.284 3.055 -9.987 1.00 . A A . 5 TRP CD1 1 1 17 8304 1 1 6 TRP CD2 C 5.315 4.942 -10.811 1.00 . A A . 5 TRP CD2 1 1 17 8305 1 1 6 TRP CE2 C 5.626 4.054 -11.823 1.00 . A A . 5 TRP CE2 1 1 17 8306 1 1 6 TRP CE3 C 4.699 6.170 -11.048 1.00 . A A . 5 TRP CE3 1 1 17 8307 1 1 6 TRP CG C 5.810 4.240 -9.581 1.00 . A A . 5 TRP CG 1 1 17 8308 1 1 6 TRP CH2 C 4.854 5.626 -13.417 1.00 . A A . 5 TRP CH2 1 1 17 8309 1 1 6 TRP CZ2 C 5.393 4.362 -13.160 1.00 . A A . 5 TRP CZ2 1 1 17 8310 1 1 6 TRP CZ3 C 4.474 6.492 -12.387 1.00 . A A . 5 TRP CZ3 1 1 17 8311 1 1 6 TRP H H 3.788 2.699 -8.586 1.00 . A A . 5 TRP H 1 1 17 8312 1 1 6 TRP HA H 4.525 4.597 -6.406 1.00 . A A . 5 TRP HA 1 1 17 8313 1 1 6 TRP HB2 H 5.961 5.836 -8.163 1.00 . A A . 5 TRP HB2 1 1 17 8314 1 1 6 TRP HB3 H 6.614 4.266 -7.613 1.00 . A A . 5 TRP HB3 1 1 17 8315 1 1 6 TRP HD1 H 6.687 2.361 -9.264 1.00 . A A . 5 TRP HD1 1 1 17 8316 1 1 6 TRP HE1 H 6.461 2.115 -11.829 1.00 . A A . 5 TRP HE1 1 1 17 8317 1 1 6 TRP HE3 H 4.430 6.828 -10.235 1.00 . A A . 5 TRP HE3 1 1 17 8318 1 1 6 TRP HH2 H 4.743 5.960 -14.432 1.00 . A A . 5 TRP HH2 1 1 17 8319 1 1 6 TRP HZ2 H 5.621 3.681 -13.968 1.00 . A A . 5 TRP HZ2 1 1 17 8320 1 1 6 TRP HZ3 H 4.013 7.427 -12.658 1.00 . A A . 5 TRP HZ3 1 1 17 8321 1 1 6 TRP N N 4.195 2.957 -7.708 1.00 . A A . 5 TRP N 1 1 17 8322 1 1 6 TRP NE1 N 6.168 2.942 -11.285 1.00 . A A . 5 TRP NE1 1 1 17 8323 1 1 6 TRP O O 2.605 4.660 -8.874 1.00 . A A . 5 TRP O 1 1 17 8324 1 1 7 LEU C C 2.732 8.378 -9.025 1.00 . A A . 6 LEU C 1 1 17 8325 1 1 7 LEU CA C 2.151 7.333 -8.116 1.00 . A A . 6 LEU CA 1 1 17 8326 1 1 7 LEU CB C 1.439 8.078 -6.965 1.00 . A A . 6 LEU CB 1 1 17 8327 1 1 7 LEU CD1 C 1.183 7.060 -4.625 1.00 . A A . 6 LEU CD1 1 1 17 8328 1 1 7 LEU CD2 C -0.874 7.454 -6.079 1.00 . A A . 6 LEU CD2 1 1 17 8329 1 1 7 LEU CG C 0.634 7.089 -6.073 1.00 . A A . 6 LEU CG 1 1 17 8330 1 1 7 LEU H H 3.883 6.880 -7.004 1.00 . A A . 6 LEU H 1 1 17 8331 1 1 7 LEU HA H 1.383 6.757 -8.644 1.00 . A A . 6 LEU HA 1 1 17 8332 1 1 7 LEU HB2 H 2.183 8.636 -6.375 1.00 . A A . 6 LEU HB2 1 1 17 8333 1 1 7 LEU HB3 H 0.770 8.818 -7.433 1.00 . A A . 6 LEU HB3 1 1 17 8334 1 1 7 LEU HD11 H 0.747 6.206 -4.083 1.00 . A A . 6 LEU HD11 1 1 17 8335 1 1 7 LEU HD12 H 0.920 7.989 -4.100 1.00 . A A . 6 LEU HD12 1 1 17 8336 1 1 7 LEU HD13 H 2.277 6.941 -4.629 1.00 . A A . 6 LEU HD13 1 1 17 8337 1 1 7 LEU HD21 H -1.312 7.192 -7.055 1.00 . A A . 6 LEU HD21 1 1 17 8338 1 1 7 LEU HD22 H -1.020 8.531 -5.899 1.00 . A A . 6 LEU HD22 1 1 17 8339 1 1 7 LEU HD23 H -1.403 6.897 -5.293 1.00 . A A . 6 LEU HD23 1 1 17 8340 1 1 7 LEU HG H 0.732 6.061 -6.460 1.00 . A A . 6 LEU HG 1 1 17 8341 1 1 7 LEU N N 3.225 6.473 -7.637 1.00 . A A . 6 LEU N 1 1 17 8342 1 1 7 LEU O O 3.677 9.046 -8.637 1.00 . A A . 6 LEU O 1 1 17 8343 1 1 8 CYS C C 2.679 10.900 -10.619 1.00 . A A . 7 CYS C 1 1 17 8344 1 1 8 CYS CA C 2.757 9.492 -11.157 1.00 . A A . 7 CYS CA 1 1 17 8345 1 1 8 CYS CB C 1.956 9.389 -12.471 1.00 . A A . 7 CYS CB 1 1 17 8346 1 1 8 CYS H H 1.417 7.956 -10.554 1.00 . A A . 7 CYS H 1 1 17 8347 1 1 8 CYS HA H 3.817 9.254 -11.321 1.00 . A A . 7 CYS HA 1 1 17 8348 1 1 8 CYS HB2 H 1.887 8.361 -12.860 1.00 . A A . 7 CYS HB2 1 1 17 8349 1 1 8 CYS HB3 H 0.947 9.782 -12.324 1.00 . A A . 7 CYS HB3 1 1 17 8350 1 1 8 CYS N N 2.187 8.521 -10.245 1.00 . A A . 7 CYS N 1 1 17 8351 1 1 8 CYS O O 1.760 11.186 -9.872 1.00 . A A . 7 CYS O 1 1 17 8352 1 1 8 CYS SG S 2.758 10.416 -13.697 1.00 . A A . 7 CYS SG 1 1 17 8353 1 1 9 ASN C C 2.842 14.097 -11.469 1.00 . A A . 8 ASN C 1 1 17 8354 1 1 9 ASN CA C 3.570 13.178 -10.509 1.00 . A A . 8 ASN CA 1 1 17 8355 1 1 9 ASN CB C 5.019 13.668 -10.261 1.00 . A A . 8 ASN CB 1 1 17 8356 1 1 9 ASN CG C 5.651 14.170 -11.536 1.00 . A A . 8 ASN CG 1 1 17 8357 1 1 9 ASN H H 4.336 11.564 -11.656 1.00 . A A . 8 ASN H 1 1 17 8358 1 1 9 ASN HA H 3.051 13.216 -9.540 1.00 . A A . 8 ASN HA 1 1 17 8359 1 1 9 ASN HB2 H 5.007 14.465 -9.502 1.00 . A A . 8 ASN HB2 1 1 17 8360 1 1 9 ASN HB3 H 5.618 12.836 -9.858 1.00 . A A . 8 ASN HB3 1 1 17 8361 1 1 9 ASN HD21 H 5.392 16.158 -11.086 1.00 . A A . 8 ASN HD21 1 1 17 8362 1 1 9 ASN HD22 H 6.172 15.828 -12.589 1.00 . A A . 8 ASN HD22 1 1 17 8363 1 1 9 ASN N N 3.616 11.801 -11.000 1.00 . A A . 8 ASN N 1 1 17 8364 1 1 9 ASN ND2 N 5.753 15.499 -11.745 1.00 . A A . 8 ASN ND2 1 1 17 8365 1 1 9 ASN O O 3.098 15.289 -11.460 1.00 . A A . 8 ASN O 1 1 17 8366 1 1 9 ASN OD1 O 6.054 13.360 -12.354 1.00 . A A . 8 ASN OD1 1 1 17 8367 1 1 10 LYS C C -0.218 13.972 -13.309 1.00 . A A . 9 LYS C 1 1 17 8368 1 1 10 LYS CA C 1.245 14.343 -13.322 1.00 . A A . 9 LYS CA 1 1 17 8369 1 1 10 LYS CB C 1.919 14.042 -14.690 1.00 . A A . 9 LYS CB 1 1 17 8370 1 1 10 LYS CD C 1.279 16.012 -16.247 1.00 . A A . 9 LYS CD 1 1 17 8371 1 1 10 LYS CE C 1.749 16.227 -17.709 1.00 . A A . 9 LYS CE 1 1 17 8372 1 1 10 LYS CG C 2.405 15.315 -15.429 1.00 . A A . 9 LYS CG 1 1 17 8373 1 1 10 LYS H H 1.760 12.576 -12.284 1.00 . A A . 9 LYS H 1 1 17 8374 1 1 10 LYS HA H 1.291 15.416 -13.084 1.00 . A A . 9 LYS HA 1 1 17 8375 1 1 10 LYS HB2 H 2.810 13.423 -14.496 1.00 . A A . 9 LYS HB2 1 1 17 8376 1 1 10 LYS HB3 H 1.265 13.460 -15.357 1.00 . A A . 9 LYS HB3 1 1 17 8377 1 1 10 LYS HD2 H 0.351 15.420 -16.266 1.00 . A A . 9 LYS HD2 1 1 17 8378 1 1 10 LYS HD3 H 1.048 16.984 -15.784 1.00 . A A . 9 LYS HD3 1 1 17 8379 1 1 10 LYS HE2 H 2.678 16.818 -17.697 1.00 . A A . 9 LYS HE2 1 1 17 8380 1 1 10 LYS HE3 H 1.957 15.249 -18.176 1.00 . A A . 9 LYS HE3 1 1 17 8381 1 1 10 LYS HG2 H 2.862 16.025 -14.722 1.00 . A A . 9 LYS HG2 1 1 17 8382 1 1 10 LYS HG3 H 3.206 14.988 -16.111 1.00 . A A . 9 LYS HG3 1 1 17 8383 1 1 10 LYS HZ1 H 1.189 17.263 -19.452 1.00 . A A . 9 LYS HZ1 1 1 17 8384 1 1 10 LYS HZ2 H 0.351 17.802 -18.020 1.00 . A A . 9 LYS HZ2 1 1 17 8385 1 1 10 LYS HZ3 H -0.082 16.276 -18.773 1.00 . A A . 9 LYS HZ3 1 1 17 8386 1 1 10 LYS N N 1.930 13.553 -12.304 1.00 . A A . 9 LYS N 1 1 17 8387 1 1 10 LYS NZ N 0.741 16.932 -18.526 1.00 . A A . 9 LYS NZ 1 1 17 8388 1 1 10 LYS O O -1.043 14.831 -13.048 1.00 . A A . 9 LYS O 1 1 17 8389 1 1 11 CYS C C -2.233 11.553 -12.164 1.00 . A A . 10 CYS C 1 1 17 8390 1 1 11 CYS CA C -1.943 12.263 -13.473 1.00 . A A . 10 CYS CA 1 1 17 8391 1 1 11 CYS CB C -2.243 11.347 -14.675 1.00 . A A . 10 CYS CB 1 1 17 8392 1 1 11 CYS H H 0.138 12.019 -13.810 1.00 . A A . 10 CYS H 1 1 17 8393 1 1 11 CYS HA H -2.639 13.109 -13.570 1.00 . A A . 10 CYS HA 1 1 17 8394 1 1 11 CYS HB2 H -3.304 11.072 -14.666 1.00 . A A . 10 CYS HB2 1 1 17 8395 1 1 11 CYS HB3 H -2.019 11.865 -15.618 1.00 . A A . 10 CYS HB3 1 1 17 8396 1 1 11 CYS N N -0.555 12.694 -13.573 1.00 . A A . 10 CYS N 1 1 17 8397 1 1 11 CYS O O -3.369 11.154 -11.960 1.00 . A A . 10 CYS O 1 1 17 8398 1 1 11 CYS SG S -1.179 9.890 -14.548 1.00 . A A . 10 CYS SG 1 1 17 8399 1 1 12 CYS C C -1.968 9.315 -10.087 1.00 . A A . 11 CYS C 1 1 17 8400 1 1 12 CYS CA C -1.526 10.754 -9.965 1.00 . A A . 11 CYS CA 1 1 17 8401 1 1 12 CYS CB C -2.541 11.634 -9.193 1.00 . A A . 11 CYS CB 1 1 17 8402 1 1 12 CYS H H -0.311 11.688 -11.405 1.00 . A A . 11 CYS H 1 1 17 8403 1 1 12 CYS HA H -0.594 10.720 -9.381 1.00 . A A . 11 CYS HA 1 1 17 8404 1 1 12 CYS HB2 H -2.561 12.646 -9.629 1.00 . A A . 11 CYS HB2 1 1 17 8405 1 1 12 CYS HB3 H -3.552 11.207 -9.255 1.00 . A A . 11 CYS HB3 1 1 17 8406 1 1 12 CYS HG H -1.268 12.430 -7.584 1.00 . A A . 11 CYS HG 1 1 17 8407 1 1 12 CYS N N -1.246 11.377 -11.255 1.00 . A A . 11 CYS N 1 1 17 8408 1 1 12 CYS O O -2.545 8.782 -9.152 1.00 . A A . 11 CYS O 1 1 17 8409 1 1 12 CYS SG S -2.058 11.817 -7.443 1.00 . A A . 11 CYS SG 1 1 17 8410 1 1 13 LEU C C -1.110 6.359 -10.846 1.00 . A A . 12 LEU C 1 1 17 8411 1 1 13 LEU CA C -2.140 7.291 -11.431 1.00 . A A . 12 LEU CA 1 1 17 8412 1 1 13 LEU CB C -2.239 6.986 -12.943 1.00 . A A . 12 LEU CB 1 1 17 8413 1 1 13 LEU CD1 C -4.469 5.751 -13.341 1.00 . A A . 12 LEU CD1 1 1 17 8414 1 1 13 LEU CD2 C -2.328 4.967 -14.552 1.00 . A A . 12 LEU CD2 1 1 17 8415 1 1 13 LEU CG C -2.920 5.624 -13.271 1.00 . A A . 12 LEU CG 1 1 17 8416 1 1 13 LEU H H -1.192 9.087 -11.972 1.00 . A A . 12 LEU H 1 1 17 8417 1 1 13 LEU HA H -3.139 7.174 -10.984 1.00 . A A . 12 LEU HA 1 1 17 8418 1 1 13 LEU HB2 H -2.833 7.789 -13.379 1.00 . A A . 12 LEU HB2 1 1 17 8419 1 1 13 LEU HB3 H -1.218 7.049 -13.349 1.00 . A A . 12 LEU HB3 1 1 17 8420 1 1 13 LEU HD11 H -4.801 6.036 -14.346 1.00 . A A . 12 LEU HD11 1 1 17 8421 1 1 13 LEU HD12 H -4.845 6.502 -12.630 1.00 . A A . 12 LEU HD12 1 1 17 8422 1 1 13 LEU HD13 H -4.934 4.784 -13.094 1.00 . A A . 12 LEU HD13 1 1 17 8423 1 1 13 LEU HD21 H -1.729 4.086 -14.280 1.00 . A A . 12 LEU HD21 1 1 17 8424 1 1 13 LEU HD22 H -1.659 5.653 -15.088 1.00 . A A . 12 LEU HD22 1 1 17 8425 1 1 13 LEU HD23 H -3.113 4.638 -15.248 1.00 . A A . 12 LEU HD23 1 1 17 8426 1 1 13 LEU HG H -2.709 4.929 -12.449 1.00 . A A . 12 LEU HG 1 1 17 8427 1 1 13 LEU N N -1.703 8.662 -11.237 1.00 . A A . 12 LEU N 1 1 17 8428 1 1 13 LEU O O 0.077 6.586 -11.019 1.00 . A A . 12 LEU O 1 1 17 8429 1 1 14 ASN C C -0.090 3.441 -10.704 1.00 . A A . 13 ASN C 1 1 17 8430 1 1 14 ASN CA C -0.670 4.309 -9.613 1.00 . A A . 13 ASN CA 1 1 17 8431 1 1 14 ASN CB C -1.402 3.453 -8.551 1.00 . A A . 13 ASN CB 1 1 17 8432 1 1 14 ASN CG C -0.772 2.098 -8.399 1.00 . A A . 13 ASN CG 1 1 17 8433 1 1 14 ASN H H -2.564 5.170 -10.041 1.00 . A A . 13 ASN H 1 1 17 8434 1 1 14 ASN HA H 0.147 4.830 -9.103 1.00 . A A . 13 ASN HA 1 1 17 8435 1 1 14 ASN HB2 H -1.389 3.994 -7.592 1.00 . A A . 13 ASN HB2 1 1 17 8436 1 1 14 ASN HB3 H -2.452 3.270 -8.822 1.00 . A A . 13 ASN HB3 1 1 17 8437 1 1 14 ASN HD21 H -1.781 1.256 -9.983 1.00 . A A . 13 ASN HD21 1 1 17 8438 1 1 14 ASN HD22 H -0.698 0.210 -9.132 1.00 . A A . 13 ASN HD22 1 1 17 8439 1 1 14 ASN N N -1.582 5.302 -10.158 1.00 . A A . 13 ASN N 1 1 17 8440 1 1 14 ASN ND2 N -1.114 1.110 -9.251 1.00 . A A . 13 ASN ND2 1 1 17 8441 1 1 14 ASN O O -0.759 3.226 -11.701 1.00 . A A . 13 ASN O 1 1 17 8442 1 1 14 ASN OD1 O 0.031 1.932 -7.500 1.00 . A A . 13 ASN OD1 1 1 17 8443 1 1 15 ASN C C 2.745 1.114 -10.895 1.00 . A A . 14 ASN C 1 1 17 8444 1 1 15 ASN CA C 1.737 2.047 -11.521 1.00 . A A . 14 ASN CA 1 1 17 8445 1 1 15 ASN CB C 2.508 2.869 -12.571 1.00 . A A . 14 ASN CB 1 1 17 8446 1 1 15 ASN CG C 1.558 3.481 -13.561 1.00 . A A . 14 ASN CG 1 1 17 8447 1 1 15 ASN H H 1.700 3.157 -9.717 1.00 . A A . 14 ASN H 1 1 17 8448 1 1 15 ASN HA H 0.944 1.458 -12.010 1.00 . A A . 14 ASN HA 1 1 17 8449 1 1 15 ASN HB2 H 3.077 3.631 -12.027 1.00 . A A . 14 ASN HB2 1 1 17 8450 1 1 15 ASN HB3 H 3.212 2.218 -13.114 1.00 . A A . 14 ASN HB3 1 1 17 8451 1 1 15 ASN HD21 H 1.907 5.435 -13.009 1.00 . A A . 14 ASN HD21 1 1 17 8452 1 1 15 ASN HD22 H 0.739 5.184 -14.251 1.00 . A A . 14 ASN HD22 1 1 17 8453 1 1 15 ASN N N 1.146 2.925 -10.521 1.00 . A A . 14 ASN N 1 1 17 8454 1 1 15 ASN ND2 N 1.397 4.813 -13.603 1.00 . A A . 14 ASN ND2 1 1 17 8455 1 1 15 ASN O O 3.453 1.533 -9.994 1.00 . A A . 14 ASN O 1 1 17 8456 1 1 15 ASN OD1 O 0.967 2.734 -14.329 1.00 . A A . 14 ASN OD1 1 1 17 8457 1 1 16 PHE C C 5.117 -0.633 -10.689 1.00 . A A . 15 PHE C 1 1 17 8458 1 1 16 PHE CA C 3.690 -1.139 -10.767 1.00 . A A . 15 PHE CA 1 1 17 8459 1 1 16 PHE CB C 3.651 -2.506 -11.517 1.00 . A A . 15 PHE CB 1 1 17 8460 1 1 16 PHE CD1 C 2.117 -3.939 -10.078 1.00 . A A . 15 PHE CD1 1 1 17 8461 1 1 16 PHE CD2 C 4.433 -4.558 -10.208 1.00 . A A . 15 PHE CD2 1 1 17 8462 1 1 16 PHE CE1 C 1.875 -5.049 -9.263 1.00 . A A . 15 PHE CE1 1 1 17 8463 1 1 16 PHE CE2 C 4.203 -5.665 -9.392 1.00 . A A . 15 PHE CE2 1 1 17 8464 1 1 16 PHE CG C 3.400 -3.692 -10.574 1.00 . A A . 15 PHE CG 1 1 17 8465 1 1 16 PHE CZ C 2.915 -5.916 -8.922 1.00 . A A . 15 PHE CZ 1 1 17 8466 1 1 16 PHE H H 2.214 -0.422 -12.130 1.00 . A A . 15 PHE H 1 1 17 8467 1 1 16 PHE HA H 3.306 -1.308 -9.752 1.00 . A A . 15 PHE HA 1 1 17 8468 1 1 16 PHE HB2 H 2.830 -2.562 -12.247 1.00 . A A . 15 PHE HB2 1 1 17 8469 1 1 16 PHE HB3 H 4.581 -2.646 -12.087 1.00 . A A . 15 PHE HB3 1 1 17 8470 1 1 16 PHE HD1 H 1.299 -3.271 -10.325 1.00 . A A . 15 PHE HD1 1 1 17 8471 1 1 16 PHE HD2 H 5.432 -4.391 -10.555 1.00 . A A . 15 PHE HD2 1 1 17 8472 1 1 16 PHE HE1 H 0.874 -5.242 -8.894 1.00 . A A . 15 PHE HE1 1 1 17 8473 1 1 16 PHE HE2 H 5.023 -6.323 -9.129 1.00 . A A . 15 PHE HE2 1 1 17 8474 1 1 16 PHE HZ H 2.728 -6.780 -8.293 1.00 . A A . 15 PHE HZ 1 1 17 8475 1 1 16 PHE N N 2.810 -0.146 -11.379 1.00 . A A . 15 PHE N 1 1 17 8476 1 1 16 PHE O O 5.525 0.159 -11.524 1.00 . A A . 15 PHE O 1 1 17 8477 1 1 17 ARG C C 8.159 -1.236 -10.760 1.00 . A A . 16 ARG C 1 1 17 8478 1 1 17 ARG CA C 7.322 -0.676 -9.642 1.00 . A A . 16 ARG CA 1 1 17 8479 1 1 17 ARG CB C 8.016 -1.060 -8.311 1.00 . A A . 16 ARG CB 1 1 17 8480 1 1 17 ARG CD C 9.035 -0.239 -6.110 1.00 . A A . 16 ARG CD 1 1 17 8481 1 1 17 ARG CG C 8.134 0.127 -7.326 1.00 . A A . 16 ARG CG 1 1 17 8482 1 1 17 ARG CZ C 10.875 0.663 -4.786 1.00 . A A . 16 ARG CZ 1 1 17 8483 1 1 17 ARG H H 5.553 -1.741 -9.031 1.00 . A A . 16 ARG H 1 1 17 8484 1 1 17 ARG HA H 7.404 0.394 -9.822 1.00 . A A . 16 ARG HA 1 1 17 8485 1 1 17 ARG HB2 H 7.467 -1.864 -7.822 1.00 . A A . 16 ARG HB2 1 1 17 8486 1 1 17 ARG HB3 H 9.025 -1.434 -8.542 1.00 . A A . 16 ARG HB3 1 1 17 8487 1 1 17 ARG HD2 H 8.379 -0.415 -5.243 1.00 . A A . 16 ARG HD2 1 1 17 8488 1 1 17 ARG HD3 H 9.610 -1.149 -6.335 1.00 . A A . 16 ARG HD3 1 1 17 8489 1 1 17 ARG HE H 10.035 1.641 -6.342 1.00 . A A . 16 ARG HE 1 1 17 8490 1 1 17 ARG HG2 H 8.565 0.964 -7.889 1.00 . A A . 16 ARG HG2 1 1 17 8491 1 1 17 ARG HG3 H 7.133 0.427 -6.979 1.00 . A A . 16 ARG HG3 1 1 17 8492 1 1 17 ARG HH11 H 10.287 -1.182 -4.114 1.00 . A A . 16 ARG HH11 1 1 17 8493 1 1 17 ARG HH12 H 11.611 -0.438 -3.236 1.00 . A A . 16 ARG HH12 1 1 17 8494 1 1 17 ARG HH21 H 11.734 2.477 -5.177 1.00 . A A . 16 ARG HH21 1 1 17 8495 1 1 17 ARG HH22 H 12.418 1.587 -3.821 1.00 . A A . 16 ARG HH22 1 1 17 8496 1 1 17 ARG N N 5.916 -1.088 -9.703 1.00 . A A . 16 ARG N 1 1 17 8497 1 1 17 ARG NE N 10.017 0.788 -5.771 1.00 . A A . 16 ARG NE 1 1 17 8498 1 1 17 ARG NH1 N 10.923 -0.383 -3.999 1.00 . A A . 16 ARG NH1 1 1 17 8499 1 1 17 ARG NH2 N 11.726 1.636 -4.582 1.00 . A A . 16 ARG NH2 1 1 17 8500 1 1 17 ARG O O 9.178 -0.662 -11.110 1.00 . A A . 16 ARG O 1 1 17 8501 1 1 18 LYS C C 8.280 -2.115 -13.656 1.00 . A A . 17 LYS C 1 1 17 8502 1 1 18 LYS CA C 8.443 -2.973 -12.428 1.00 . A A . 17 LYS CA 1 1 17 8503 1 1 18 LYS CB C 7.830 -4.375 -12.681 1.00 . A A . 17 LYS CB 1 1 17 8504 1 1 18 LYS CD C 8.219 -6.858 -12.825 1.00 . A A . 17 LYS CD 1 1 17 8505 1 1 18 LYS CE C 8.707 -7.834 -13.915 1.00 . A A . 17 LYS CE 1 1 17 8506 1 1 18 LYS CG C 8.885 -5.460 -12.965 1.00 . A A . 17 LYS CG 1 1 17 8507 1 1 18 LYS H H 6.867 -2.751 -11.013 1.00 . A A . 17 LYS H 1 1 17 8508 1 1 18 LYS HA H 9.509 -3.040 -12.164 1.00 . A A . 17 LYS HA 1 1 17 8509 1 1 18 LYS HB2 H 7.335 -4.749 -11.780 1.00 . A A . 17 LYS HB2 1 1 17 8510 1 1 18 LYS HB3 H 7.090 -4.328 -13.499 1.00 . A A . 17 LYS HB3 1 1 17 8511 1 1 18 LYS HD2 H 8.434 -7.266 -11.823 1.00 . A A . 17 LYS HD2 1 1 17 8512 1 1 18 LYS HD3 H 7.123 -6.798 -12.930 1.00 . A A . 17 LYS HD3 1 1 17 8513 1 1 18 LYS HE2 H 8.219 -8.805 -13.735 1.00 . A A . 17 LYS HE2 1 1 17 8514 1 1 18 LYS HE3 H 8.380 -7.458 -14.898 1.00 . A A . 17 LYS HE3 1 1 17 8515 1 1 18 LYS HG2 H 9.290 -5.270 -13.969 1.00 . A A . 17 LYS HG2 1 1 17 8516 1 1 18 LYS HG3 H 9.703 -5.401 -12.228 1.00 . A A . 17 LYS HG3 1 1 17 8517 1 1 18 LYS HZ1 H 10.441 -8.884 -14.462 1.00 . A A . 17 LYS HZ1 1 1 17 8518 1 1 18 LYS HZ2 H 10.552 -8.113 -12.895 1.00 . A A . 17 LYS HZ2 1 1 17 8519 1 1 18 LYS HZ3 H 10.691 -7.171 -14.366 1.00 . A A . 17 LYS HZ3 1 1 17 8520 1 1 18 LYS N N 7.724 -2.370 -11.321 1.00 . A A . 17 LYS N 1 1 17 8521 1 1 18 LYS NZ N 10.175 -8.000 -13.901 1.00 . A A . 17 LYS NZ 1 1 17 8522 1 1 18 LYS O O 9.054 -2.264 -14.588 1.00 . A A . 17 LYS O 1 1 17 8523 1 1 19 ARG C C 8.252 0.563 -14.984 1.00 . A A . 18 ARG C 1 1 17 8524 1 1 19 ARG CA C 7.085 -0.390 -14.851 1.00 . A A . 18 ARG CA 1 1 17 8525 1 1 19 ARG CB C 5.764 0.443 -14.805 1.00 . A A . 18 ARG CB 1 1 17 8526 1 1 19 ARG CD C 3.943 1.393 -16.385 1.00 . A A . 18 ARG CD 1 1 17 8527 1 1 19 ARG CG C 4.829 0.171 -16.017 1.00 . A A . 18 ARG CG 1 1 17 8528 1 1 19 ARG CZ C 1.723 0.384 -16.626 1.00 . A A . 18 ARG CZ 1 1 17 8529 1 1 19 ARG H H 6.647 -1.083 -12.914 1.00 . A A . 18 ARG H 1 1 17 8530 1 1 19 ARG HA H 7.097 -1.060 -15.723 1.00 . A A . 18 ARG HA 1 1 17 8531 1 1 19 ARG HB2 H 5.144 0.254 -13.920 1.00 . A A . 18 ARG HB2 1 1 17 8532 1 1 19 ARG HB3 H 6.068 1.496 -14.746 1.00 . A A . 18 ARG HB3 1 1 17 8533 1 1 19 ARG HD2 H 4.277 2.280 -15.832 1.00 . A A . 18 ARG HD2 1 1 17 8534 1 1 19 ARG HD3 H 4.032 1.633 -17.456 1.00 . A A . 18 ARG HD3 1 1 17 8535 1 1 19 ARG HE H 2.168 1.839 -15.307 1.00 . A A . 18 ARG HE 1 1 17 8536 1 1 19 ARG HG2 H 5.408 -0.081 -16.917 1.00 . A A . 18 ARG HG2 1 1 17 8537 1 1 19 ARG HG3 H 4.199 -0.697 -15.765 1.00 . A A . 18 ARG HG3 1 1 17 8538 1 1 19 ARG HH11 H 3.061 -0.427 -17.941 1.00 . A A . 18 ARG HH11 1 1 17 8539 1 1 19 ARG HH12 H 1.427 -1.063 -18.029 1.00 . A A . 18 ARG HH12 1 1 17 8540 1 1 19 ARG HH21 H 0.141 0.991 -15.482 1.00 . A A . 18 ARG HH21 1 1 17 8541 1 1 19 ARG HH22 H -0.207 -0.273 -16.664 1.00 . A A . 18 ARG HH22 1 1 17 8542 1 1 19 ARG N N 7.269 -1.220 -13.679 1.00 . A A . 18 ARG N 1 1 17 8543 1 1 19 ARG NE N 2.539 1.221 -16.038 1.00 . A A . 18 ARG NE 1 1 17 8544 1 1 19 ARG NH1 N 2.097 -0.420 -17.588 1.00 . A A . 18 ARG NH1 1 1 17 8545 1 1 19 ARG NH2 N 0.476 0.363 -16.231 1.00 . A A . 18 ARG NH2 1 1 17 8546 1 1 19 ARG O O 9.100 0.643 -14.111 1.00 . A A . 18 ARG O 1 1 17 8547 1 1 20 LEU C C 8.595 3.690 -16.421 1.00 . A A . 19 LEU C 1 1 17 8548 1 1 20 LEU CA C 9.244 2.325 -16.388 1.00 . A A . 19 LEU CA 1 1 17 8549 1 1 20 LEU CB C 10.037 2.092 -17.706 1.00 . A A . 19 LEU CB 1 1 17 8550 1 1 20 LEU CD1 C 9.560 2.109 -20.253 1.00 . A A . 19 LEU CD1 1 1 17 8551 1 1 20 LEU CD2 C 9.385 -0.074 -18.948 1.00 . A A . 19 LEU CD2 1 1 17 8552 1 1 20 LEU CG C 9.226 1.466 -18.885 1.00 . A A . 19 LEU CG 1 1 17 8553 1 1 20 LEU H H 7.492 1.168 -16.745 1.00 . A A . 19 LEU H 1 1 17 8554 1 1 20 LEU HA H 9.989 2.371 -15.576 1.00 . A A . 19 LEU HA 1 1 17 8555 1 1 20 LEU HB2 H 10.458 3.069 -17.988 1.00 . A A . 19 LEU HB2 1 1 17 8556 1 1 20 LEU HB3 H 10.891 1.429 -17.491 1.00 . A A . 19 LEU HB3 1 1 17 8557 1 1 20 LEU HD11 H 8.868 2.944 -20.402 1.00 . A A . 19 LEU HD11 1 1 17 8558 1 1 20 LEU HD12 H 9.400 1.405 -21.082 1.00 . A A . 19 LEU HD12 1 1 17 8559 1 1 20 LEU HD13 H 10.593 2.478 -20.298 1.00 . A A . 19 LEU HD13 1 1 17 8560 1 1 20 LEU HD21 H 10.268 -0.340 -19.547 1.00 . A A . 19 LEU HD21 1 1 17 8561 1 1 20 LEU HD22 H 8.491 -0.516 -19.418 1.00 . A A . 19 LEU HD22 1 1 17 8562 1 1 20 LEU HD23 H 9.492 -0.506 -17.941 1.00 . A A . 19 LEU HD23 1 1 17 8563 1 1 20 LEU HG H 8.152 1.648 -18.783 1.00 . A A . 19 LEU HG 1 1 17 8564 1 1 20 LEU N N 8.243 1.302 -16.111 1.00 . A A . 19 LEU N 1 1 17 8565 1 1 20 LEU O O 9.117 4.573 -15.759 1.00 . A A . 19 LEU O 1 1 17 8566 1 1 21 LYS C C 5.445 5.140 -17.192 1.00 . A A . 20 LYS C 1 1 17 8567 1 1 21 LYS CA C 6.933 5.249 -17.288 1.00 . A A . 20 LYS CA 1 1 17 8568 1 1 21 LYS CB C 7.206 5.865 -18.685 1.00 . A A . 20 LYS CB 1 1 17 8569 1 1 21 LYS CD C 9.134 5.909 -20.413 1.00 . A A . 20 LYS CD 1 1 17 8570 1 1 21 LYS CE C 10.642 5.541 -20.516 1.00 . A A . 20 LYS CE 1 1 17 8571 1 1 21 LYS CG C 8.713 6.116 -18.934 1.00 . A A . 20 LYS CG 1 1 17 8572 1 1 21 LYS H H 6.996 3.214 -17.676 1.00 . A A . 20 LYS H 1 1 17 8573 1 1 21 LYS HA H 7.253 5.867 -16.444 1.00 . A A . 20 LYS HA 1 1 17 8574 1 1 21 LYS HB2 H 6.787 5.155 -19.411 1.00 . A A . 20 LYS HB2 1 1 17 8575 1 1 21 LYS HB3 H 6.676 6.818 -18.802 1.00 . A A . 20 LYS HB3 1 1 17 8576 1 1 21 LYS HD2 H 8.560 5.088 -20.855 1.00 . A A . 20 LYS HD2 1 1 17 8577 1 1 21 LYS HD3 H 8.898 6.799 -21.014 1.00 . A A . 20 LYS HD3 1 1 17 8578 1 1 21 LYS HE2 H 10.940 4.865 -19.698 1.00 . A A . 20 LYS HE2 1 1 17 8579 1 1 21 LYS HE3 H 10.793 4.978 -21.451 1.00 . A A . 20 LYS HE3 1 1 17 8580 1 1 21 LYS HG2 H 8.967 7.146 -18.648 1.00 . A A . 20 LYS HG2 1 1 17 8581 1 1 21 LYS HG3 H 9.265 5.430 -18.284 1.00 . A A . 20 LYS HG3 1 1 17 8582 1 1 21 LYS HZ1 H 12.021 6.844 -21.463 1.00 . A A . 20 LYS HZ1 1 1 17 8583 1 1 21 LYS HZ2 H 12.286 6.641 -19.740 1.00 . A A . 20 LYS HZ2 1 1 17 8584 1 1 21 LYS HZ3 H 11.008 7.643 -20.278 1.00 . A A . 20 LYS HZ3 1 1 17 8585 1 1 21 LYS N N 7.487 3.913 -17.167 1.00 . A A . 20 LYS N 1 1 17 8586 1 1 21 LYS NZ N 11.528 6.725 -20.508 1.00 . A A . 20 LYS NZ 1 1 17 8587 1 1 21 LYS O O 4.915 4.051 -17.319 1.00 . A A . 20 LYS O 1 1 17 8588 1 1 22 CYS C C 2.623 5.772 -17.988 1.00 . A A . 21 CYS C 1 1 17 8589 1 1 22 CYS CA C 3.348 6.213 -16.742 1.00 . A A . 21 CYS CA 1 1 17 8590 1 1 22 CYS CB C 2.904 7.606 -16.255 1.00 . A A . 21 CYS CB 1 1 17 8591 1 1 22 CYS H H 5.234 7.166 -16.913 1.00 . A A . 21 CYS H 1 1 17 8592 1 1 22 CYS HA H 3.146 5.485 -15.943 1.00 . A A . 21 CYS HA 1 1 17 8593 1 1 22 CYS HB2 H 3.528 7.963 -15.422 1.00 . A A . 21 CYS HB2 1 1 17 8594 1 1 22 CYS HB3 H 2.923 8.343 -17.071 1.00 . A A . 21 CYS HB3 1 1 17 8595 1 1 22 CYS N N 4.773 6.276 -16.965 1.00 . A A . 21 CYS N 1 1 17 8596 1 1 22 CYS O O 2.899 6.309 -19.047 1.00 . A A . 21 CYS O 1 1 17 8597 1 1 22 CYS SG S 1.245 7.391 -15.608 1.00 . A A . 21 CYS SG 1 1 17 8598 1 1 23 PHE C C -0.304 5.162 -19.288 1.00 . A A . 22 PHE C 1 1 17 8599 1 1 23 PHE CA C 0.952 4.351 -19.058 1.00 . A A . 22 PHE CA 1 1 17 8600 1 1 23 PHE CB C 0.608 2.855 -18.840 1.00 . A A . 22 PHE CB 1 1 17 8601 1 1 23 PHE CD1 C 1.762 1.906 -20.875 1.00 . A A . 22 PHE CD1 1 1 17 8602 1 1 23 PHE CD2 C -0.602 1.476 -20.613 1.00 . A A . 22 PHE CD2 1 1 17 8603 1 1 23 PHE CE1 C 1.764 1.190 -22.073 1.00 . A A . 22 PHE CE1 1 1 17 8604 1 1 23 PHE CE2 C -0.594 0.734 -21.796 1.00 . A A . 22 PHE CE2 1 1 17 8605 1 1 23 PHE CG C 0.579 2.060 -20.146 1.00 . A A . 22 PHE CG 1 1 17 8606 1 1 23 PHE CZ C 0.586 0.596 -22.529 1.00 . A A . 22 PHE CZ 1 1 17 8607 1 1 23 PHE H H 1.427 4.422 -16.991 1.00 . A A . 22 PHE H 1 1 17 8608 1 1 23 PHE HA H 1.584 4.451 -19.952 1.00 . A A . 22 PHE HA 1 1 17 8609 1 1 23 PHE HB2 H 1.416 2.395 -18.255 1.00 . A A . 22 PHE HB2 1 1 17 8610 1 1 23 PHE HB3 H -0.328 2.760 -18.269 1.00 . A A . 22 PHE HB3 1 1 17 8611 1 1 23 PHE HD1 H 2.689 2.340 -20.515 1.00 . A A . 22 PHE HD1 1 1 17 8612 1 1 23 PHE HD2 H -1.529 1.591 -20.060 1.00 . A A . 22 PHE HD2 1 1 17 8613 1 1 23 PHE HE1 H 2.680 1.095 -22.645 1.00 . A A . 22 PHE HE1 1 1 17 8614 1 1 23 PHE HE2 H -1.506 0.265 -22.146 1.00 . A A . 22 PHE HE2 1 1 17 8615 1 1 23 PHE HZ H 0.589 0.028 -23.453 1.00 . A A . 22 PHE HZ 1 1 17 8616 1 1 23 PHE N N 1.684 4.805 -17.879 1.00 . A A . 22 PHE N 1 1 17 8617 1 1 23 PHE O O -1.085 4.795 -20.149 1.00 . A A . 22 PHE O 1 1 17 8618 1 1 24 ARG C C -1.241 8.431 -19.288 1.00 . A A . 23 ARG C 1 1 17 8619 1 1 24 ARG CA C -1.667 7.119 -18.684 1.00 . A A . 23 ARG CA 1 1 17 8620 1 1 24 ARG CB C -2.339 7.318 -17.303 1.00 . A A . 23 ARG CB 1 1 17 8621 1 1 24 ARG CD C -4.767 7.976 -16.601 1.00 . A A . 23 ARG CD 1 1 17 8622 1 1 24 ARG CG C -3.474 8.375 -17.369 1.00 . A A . 23 ARG CG 1 1 17 8623 1 1 24 ARG CZ C -5.897 8.543 -14.499 1.00 . A A . 23 ARG CZ 1 1 17 8624 1 1 24 ARG H H 0.143 6.522 -17.823 1.00 . A A . 23 ARG H 1 1 17 8625 1 1 24 ARG HA H -2.413 6.659 -19.351 1.00 . A A . 23 ARG HA 1 1 17 8626 1 1 24 ARG HB2 H -2.728 6.324 -17.053 1.00 . A A . 23 ARG HB2 1 1 17 8627 1 1 24 ARG HB3 H -1.611 7.619 -16.535 1.00 . A A . 23 ARG HB3 1 1 17 8628 1 1 24 ARG HD2 H -5.589 8.437 -17.167 1.00 . A A . 23 ARG HD2 1 1 17 8629 1 1 24 ARG HD3 H -4.908 6.884 -16.604 1.00 . A A . 23 ARG HD3 1 1 17 8630 1 1 24 ARG HE H -3.955 8.926 -14.888 1.00 . A A . 23 ARG HE 1 1 17 8631 1 1 24 ARG HG2 H -3.088 9.350 -17.031 1.00 . A A . 23 ARG HG2 1 1 17 8632 1 1 24 ARG HG3 H -3.766 8.493 -18.421 1.00 . A A . 23 ARG HG3 1 1 17 8633 1 1 24 ARG HH11 H -7.131 7.527 -15.774 1.00 . A A . 23 ARG HH11 1 1 17 8634 1 1 24 ARG HH12 H -7.873 8.077 -14.281 1.00 . A A . 23 ARG HH12 1 1 17 8635 1 1 24 ARG HH21 H -4.968 9.546 -12.974 1.00 . A A . 23 ARG HH21 1 1 17 8636 1 1 24 ARG HH22 H -6.671 9.170 -12.715 1.00 . A A . 23 ARG HH22 1 1 17 8637 1 1 24 ARG N N -0.505 6.257 -18.522 1.00 . A A . 23 ARG N 1 1 17 8638 1 1 24 ARG NE N -4.817 8.511 -15.244 1.00 . A A . 23 ARG NE 1 1 17 8639 1 1 24 ARG NH1 N -7.036 8.020 -14.880 1.00 . A A . 23 ARG NH1 1 1 17 8640 1 1 24 ARG NH2 N -5.842 9.119 -13.324 1.00 . A A . 23 ARG NH2 1 1 17 8641 1 1 24 ARG O O -1.791 8.798 -20.314 1.00 . A A . 23 ARG O 1 1 17 8642 1 1 25 CYS C C 1.496 10.196 -20.018 1.00 . A A . 24 CYS C 1 1 17 8643 1 1 25 CYS CA C 0.190 10.393 -19.277 1.00 . A A . 24 CYS CA 1 1 17 8644 1 1 25 CYS CB C 0.303 11.454 -18.160 1.00 . A A . 24 CYS CB 1 1 17 8645 1 1 25 CYS H H 0.146 8.854 -17.827 1.00 . A A . 24 CYS H 1 1 17 8646 1 1 25 CYS HA H -0.551 10.804 -19.978 1.00 . A A . 24 CYS HA 1 1 17 8647 1 1 25 CYS HB2 H 0.447 12.468 -18.561 1.00 . A A . 24 CYS HB2 1 1 17 8648 1 1 25 CYS HB3 H -0.593 11.433 -17.524 1.00 . A A . 24 CYS HB3 1 1 17 8649 1 1 25 CYS N N -0.278 9.151 -18.677 1.00 . A A . 24 CYS N 1 1 17 8650 1 1 25 CYS O O 1.878 11.115 -20.726 1.00 . A A . 24 CYS O 1 1 17 8651 1 1 25 CYS SG S 1.722 11.066 -17.134 1.00 . A A . 24 CYS SG 1 1 17 8652 1 1 26 GLY C C 4.674 9.347 -19.747 1.00 . A A . 25 GLY C 1 1 17 8653 1 1 26 GLY CA C 3.499 8.903 -20.588 1.00 . A A . 25 GLY CA 1 1 17 8654 1 1 26 GLY H H 1.938 8.288 -19.316 1.00 . A A . 25 GLY H 1 1 17 8655 1 1 26 GLY HA2 H 3.643 7.846 -20.859 1.00 . A A . 25 GLY HA2 1 1 17 8656 1 1 26 GLY HA3 H 3.509 9.474 -21.527 1.00 . A A . 25 GLY HA3 1 1 17 8657 1 1 26 GLY N N 2.220 9.053 -19.894 1.00 . A A . 25 GLY N 1 1 17 8658 1 1 26 GLY O O 5.754 8.800 -19.894 1.00 . A A . 25 GLY O 1 1 17 8659 1 1 27 ALA C C 6.261 9.826 -17.258 1.00 . A A . 26 ALA C 1 1 17 8660 1 1 27 ALA CA C 5.604 10.893 -18.097 1.00 . A A . 26 ALA CA 1 1 17 8661 1 1 27 ALA CB C 5.165 12.050 -17.161 1.00 . A A . 26 ALA CB 1 1 17 8662 1 1 27 ALA H H 3.625 10.831 -18.841 1.00 . A A . 26 ALA H 1 1 17 8663 1 1 27 ALA HA H 6.328 11.295 -18.821 1.00 . A A . 26 ALA HA 1 1 17 8664 1 1 27 ALA HB1 H 4.770 11.647 -16.215 1.00 . A A . 26 ALA HB1 1 1 17 8665 1 1 27 ALA HB2 H 6.031 12.690 -16.939 1.00 . A A . 26 ALA HB2 1 1 17 8666 1 1 27 ALA HB3 H 4.390 12.677 -17.628 1.00 . A A . 26 ALA HB3 1 1 17 8667 1 1 27 ALA N N 4.497 10.365 -18.884 1.00 . A A . 26 ALA N 1 1 17 8668 1 1 27 ALA O O 5.598 8.881 -16.859 1.00 . A A . 26 ALA O 1 1 17 8669 1 1 28 ASP C C 7.983 9.082 -14.751 1.00 . A A . 27 ASP C 1 1 17 8670 1 1 28 ASP CA C 8.256 8.921 -16.226 1.00 . A A . 27 ASP CA 1 1 17 8671 1 1 28 ASP CB C 9.776 8.908 -16.514 1.00 . A A . 27 ASP CB 1 1 17 8672 1 1 28 ASP CG C 10.416 7.576 -16.237 1.00 . A A . 27 ASP CG 1 1 17 8673 1 1 28 ASP H H 8.093 10.765 -17.266 1.00 . A A . 27 ASP H 1 1 17 8674 1 1 28 ASP HA H 7.870 7.967 -16.583 1.00 . A A . 27 ASP HA 1 1 17 8675 1 1 28 ASP HB2 H 9.961 9.171 -17.566 1.00 . A A . 27 ASP HB2 1 1 17 8676 1 1 28 ASP HB3 H 10.253 9.655 -15.871 1.00 . A A . 27 ASP HB3 1 1 17 8677 1 1 28 ASP N N 7.574 9.960 -16.981 1.00 . A A . 27 ASP N 1 1 17 8678 1 1 28 ASP O O 7.710 10.185 -14.307 1.00 . A A . 27 ASP O 1 1 17 8679 1 1 28 ASP OD1 O 10.294 7.111 -15.075 1.00 . A A . 27 ASP OD1 1 1 17 8680 1 1 28 ASP OD2 O 11.049 7.004 -17.170 1.00 . A A . 27 ASP OD2 1 1 17 8681 1 1 29 LYS C C 8.968 9.024 -11.907 1.00 . A A . 28 LYS C 1 1 17 8682 1 1 29 LYS CA C 7.911 8.138 -12.516 1.00 . A A . 28 LYS CA 1 1 17 8683 1 1 29 LYS CB C 7.962 6.754 -11.829 1.00 . A A . 28 LYS CB 1 1 17 8684 1 1 29 LYS CD C 10.085 5.787 -10.744 1.00 . A A . 28 LYS CD 1 1 17 8685 1 1 29 LYS CE C 9.324 4.875 -9.750 1.00 . A A . 28 LYS CE 1 1 17 8686 1 1 29 LYS CG C 9.294 5.989 -12.055 1.00 . A A . 28 LYS CG 1 1 17 8687 1 1 29 LYS H H 8.328 7.109 -14.349 1.00 . A A . 28 LYS H 1 1 17 8688 1 1 29 LYS HA H 6.922 8.584 -12.311 1.00 . A A . 28 LYS HA 1 1 17 8689 1 1 29 LYS HB2 H 7.727 6.871 -10.761 1.00 . A A . 28 LYS HB2 1 1 17 8690 1 1 29 LYS HB3 H 7.171 6.165 -12.294 1.00 . A A . 28 LYS HB3 1 1 17 8691 1 1 29 LYS HD2 H 11.069 5.366 -11.002 1.00 . A A . 28 LYS HD2 1 1 17 8692 1 1 29 LYS HD3 H 10.244 6.766 -10.286 1.00 . A A . 28 LYS HD3 1 1 17 8693 1 1 29 LYS HE2 H 8.937 5.475 -8.910 1.00 . A A . 28 LYS HE2 1 1 17 8694 1 1 29 LYS HE3 H 8.471 4.415 -10.266 1.00 . A A . 28 LYS HE3 1 1 17 8695 1 1 29 LYS HG2 H 9.095 5.008 -12.519 1.00 . A A . 28 LYS HG2 1 1 17 8696 1 1 29 LYS HG3 H 9.963 6.540 -12.723 1.00 . A A . 28 LYS HG3 1 1 17 8697 1 1 29 LYS HZ1 H 10.662 3.246 -10.036 1.00 . A A . 28 LYS HZ1 1 1 17 8698 1 1 29 LYS HZ2 H 9.562 3.084 -8.707 1.00 . A A . 28 LYS HZ2 1 1 17 8699 1 1 29 LYS HZ3 H 10.933 4.185 -8.566 1.00 . A A . 28 LYS HZ3 1 1 17 8700 1 1 29 LYS N N 8.076 7.998 -13.960 1.00 . A A . 28 LYS N 1 1 17 8701 1 1 29 LYS NZ N 10.182 3.791 -9.235 1.00 . A A . 28 LYS NZ 1 1 17 8702 1 1 29 LYS O O 8.751 9.509 -10.808 1.00 . A A . 28 LYS O 1 1 17 8703 1 1 30 PHE C C 11.276 11.329 -12.981 1.00 . A A . 29 PHE C 1 1 17 8704 1 1 30 PHE CA C 11.146 10.125 -12.081 1.00 . A A . 29 PHE CA 1 1 17 8705 1 1 30 PHE CB C 12.461 9.299 -11.974 1.00 . A A . 29 PHE CB 1 1 17 8706 1 1 30 PHE CD1 C 12.242 8.890 -9.477 1.00 . A A . 29 PHE CD1 1 1 17 8707 1 1 30 PHE CD2 C 14.365 9.664 -10.314 1.00 . A A . 29 PHE CD2 1 1 17 8708 1 1 30 PHE CE1 C 12.785 8.744 -8.201 1.00 . A A . 29 PHE CE1 1 1 17 8709 1 1 30 PHE CE2 C 14.896 9.578 -9.025 1.00 . A A . 29 PHE CE2 1 1 17 8710 1 1 30 PHE CG C 13.040 9.289 -10.554 1.00 . A A . 29 PHE CG 1 1 17 8711 1 1 30 PHE CZ C 14.114 9.102 -7.971 1.00 . A A . 29 PHE CZ 1 1 17 8712 1 1 30 PHE H H 10.283 8.817 -13.488 1.00 . A A . 29 PHE H 1 1 17 8713 1 1 30 PHE HA H 10.889 10.551 -11.101 1.00 . A A . 29 PHE HA 1 1 17 8714 1 1 30 PHE HB2 H 12.256 8.244 -12.211 1.00 . A A . 29 PHE HB2 1 1 17 8715 1 1 30 PHE HB3 H 13.207 9.648 -12.704 1.00 . A A . 29 PHE HB3 1 1 17 8716 1 1 30 PHE HD1 H 11.191 8.693 -9.621 1.00 . A A . 29 PHE HD1 1 1 17 8717 1 1 30 PHE HD2 H 14.993 10.020 -11.125 1.00 . A A . 29 PHE HD2 1 1 17 8718 1 1 30 PHE HE1 H 12.173 8.357 -7.393 1.00 . A A . 29 PHE HE1 1 1 17 8719 1 1 30 PHE HE2 H 15.921 9.882 -8.842 1.00 . A A . 29 PHE HE2 1 1 17 8720 1 1 30 PHE HZ H 14.535 9.012 -6.975 1.00 . A A . 29 PHE HZ 1 1 17 8721 1 1 30 PHE N N 10.110 9.240 -12.598 1.00 . A A . 29 PHE N 1 1 17 8722 1 1 30 PHE O O 12.350 11.906 -13.034 1.00 . A A . 29 PHE O 1 1 17 8723 1 1 31 ASP C C 8.960 13.495 -14.771 1.00 . A A . 30 ASP C 1 1 17 8724 1 1 31 ASP CA C 10.331 12.893 -14.578 1.00 . A A . 30 ASP CA 1 1 17 8725 1 1 31 ASP CB C 10.933 12.445 -15.933 1.00 . A A . 30 ASP CB 1 1 17 8726 1 1 31 ASP CG C 11.819 13.514 -16.503 1.00 . A A . 30 ASP CG 1 1 17 8727 1 1 31 ASP H H 9.309 11.282 -13.660 1.00 . A A . 30 ASP H 1 1 17 8728 1 1 31 ASP HA H 11.007 13.629 -14.115 1.00 . A A . 30 ASP HA 1 1 17 8729 1 1 31 ASP HB2 H 11.565 11.561 -15.772 1.00 . A A . 30 ASP HB2 1 1 17 8730 1 1 31 ASP HB3 H 10.143 12.189 -16.655 1.00 . A A . 30 ASP HB3 1 1 17 8731 1 1 31 ASP N N 10.202 11.742 -13.693 1.00 . A A . 30 ASP N 1 1 17 8732 1 1 31 ASP O O 8.079 12.793 -15.240 1.00 . A A . 30 ASP O 1 1 17 8733 1 1 31 ASP OD1 O 11.305 14.627 -16.788 1.00 . A A . 30 ASP OD1 1 1 17 8734 1 1 31 ASP OD2 O 13.040 13.243 -16.672 1.00 . A A . 30 ASP OD2 1 1 17 8735 1 1 32 NH2 HN1 H 9.433 15.359 -14.038 1.00 . A A . 31 NH2 HN1 1 1 17 8736 1 1 32 NH2 HN2 H 7.796 15.131 -14.544 1.00 . A A . 31 NH2 HN2 1 1 17 8737 1 1 32 NH2 N N 8.719 14.772 -14.416 1.00 . A A . 31 NH2 N 1 1 17 8738 2 2 1 ZN ZN ZN 1.086 9.751 -15.262 1.00 . B A . 32 ZN ZN 1 1 18 8739 1 1 1 ACE C C -1.505 -5.261 -3.161 1.00 . A A . 0 ACE C 1 1 18 8740 1 1 1 ACE CH3 C -2.837 -5.300 -2.466 1.00 . A A . 0 ACE CH3 1 1 18 8741 1 1 1 ACE H1 H -3.626 -5.009 -3.177 1.00 . A A . 0 ACE H1 1 1 18 8742 1 1 1 ACE H2 H -2.837 -4.603 -1.616 1.00 . A A . 0 ACE H2 1 1 18 8743 1 1 1 ACE H3 H -3.045 -6.316 -2.099 1.00 . A A . 0 ACE H3 1 1 18 8744 1 1 1 ACE O O -0.846 -6.286 -3.241 1.00 . A A . 0 ACE O 1 1 18 8745 1 1 2 LYS C C 1.173 -3.345 -3.520 1.00 . A A . 1 LYS C 1 1 18 8746 1 1 2 LYS CA C 0.139 -3.984 -4.419 1.00 . A A . 1 LYS CA 1 1 18 8747 1 1 2 LYS CB C -0.118 -3.160 -5.706 1.00 . A A . 1 LYS CB 1 1 18 8748 1 1 2 LYS CD C 0.814 -2.636 -8.033 1.00 . A A . 1 LYS CD 1 1 18 8749 1 1 2 LYS CE C -0.364 -2.810 -9.018 1.00 . A A . 1 LYS CE 1 1 18 8750 1 1 2 LYS CG C 0.824 -3.627 -6.845 1.00 . A A . 1 LYS CG 1 1 18 8751 1 1 2 LYS H H -1.646 -3.243 -3.545 1.00 . A A . 1 LYS H 1 1 18 8752 1 1 2 LYS HA H 0.476 -4.981 -4.740 1.00 . A A . 1 LYS HA 1 1 18 8753 1 1 2 LYS HB2 H -1.156 -3.303 -6.039 1.00 . A A . 1 LYS HB2 1 1 18 8754 1 1 2 LYS HB3 H 0.019 -2.093 -5.487 1.00 . A A . 1 LYS HB3 1 1 18 8755 1 1 2 LYS HD2 H 0.737 -1.620 -7.636 1.00 . A A . 1 LYS HD2 1 1 18 8756 1 1 2 LYS HD3 H 1.763 -2.739 -8.571 1.00 . A A . 1 LYS HD3 1 1 18 8757 1 1 2 LYS HE2 H -0.357 -3.824 -9.446 1.00 . A A . 1 LYS HE2 1 1 18 8758 1 1 2 LYS HE3 H -1.303 -2.681 -8.459 1.00 . A A . 1 LYS HE3 1 1 18 8759 1 1 2 LYS HG2 H 1.851 -3.679 -6.447 1.00 . A A . 1 LYS HG2 1 1 18 8760 1 1 2 LYS HG3 H 0.533 -4.629 -7.195 1.00 . A A . 1 LYS HG3 1 1 18 8761 1 1 2 LYS HZ1 H 0.260 -0.912 -9.832 1.00 . A A . 1 LYS HZ1 1 1 18 8762 1 1 2 LYS HZ2 H -1.280 -1.482 -10.392 1.00 . A A . 1 LYS HZ2 1 1 18 8763 1 1 2 LYS HZ3 H 0.180 -2.191 -10.994 1.00 . A A . 1 LYS HZ3 1 1 18 8764 1 1 2 LYS N N -1.107 -4.078 -3.673 1.00 . A A . 1 LYS N 1 1 18 8765 1 1 2 LYS NZ N -0.289 -1.803 -10.104 1.00 . A A . 1 LYS NZ 1 1 18 8766 1 1 2 LYS O O 1.195 -2.131 -3.400 1.00 . A A . 1 LYS O 1 1 18 8767 1 1 3 PHE C C 4.300 -3.187 -2.764 1.00 . A A . 2 PHE C 1 1 18 8768 1 1 3 PHE CA C 3.053 -3.524 -1.985 1.00 . A A . 2 PHE CA 1 1 18 8769 1 1 3 PHE CB C 3.321 -4.520 -0.827 1.00 . A A . 2 PHE CB 1 1 18 8770 1 1 3 PHE CD1 C 3.478 -2.830 1.063 1.00 . A A . 2 PHE CD1 1 1 18 8771 1 1 3 PHE CD2 C 5.325 -4.349 0.739 1.00 . A A . 2 PHE CD2 1 1 18 8772 1 1 3 PHE CE1 C 4.151 -2.233 2.129 1.00 . A A . 2 PHE CE1 1 1 18 8773 1 1 3 PHE CE2 C 5.982 -3.779 1.832 1.00 . A A . 2 PHE CE2 1 1 18 8774 1 1 3 PHE CG C 4.066 -3.881 0.351 1.00 . A A . 2 PHE CG 1 1 18 8775 1 1 3 PHE CZ C 5.399 -2.716 2.524 1.00 . A A . 2 PHE CZ 1 1 18 8776 1 1 3 PHE H H 2.060 -5.120 -2.987 1.00 . A A . 2 PHE H 1 1 18 8777 1 1 3 PHE HA H 2.670 -2.587 -1.557 1.00 . A A . 2 PHE HA 1 1 18 8778 1 1 3 PHE HB2 H 2.355 -4.872 -0.436 1.00 . A A . 2 PHE HB2 1 1 18 8779 1 1 3 PHE HB3 H 3.867 -5.393 -1.220 1.00 . A A . 2 PHE HB3 1 1 18 8780 1 1 3 PHE HD1 H 2.489 -2.470 0.798 1.00 . A A . 2 PHE HD1 1 1 18 8781 1 1 3 PHE HD2 H 5.802 -5.160 0.199 1.00 . A A . 2 PHE HD2 1 1 18 8782 1 1 3 PHE HE1 H 3.700 -1.396 2.653 1.00 . A A . 2 PHE HE1 1 1 18 8783 1 1 3 PHE HE2 H 6.948 -4.163 2.143 1.00 . A A . 2 PHE HE2 1 1 18 8784 1 1 3 PHE HZ H 5.914 -2.266 3.366 1.00 . A A . 2 PHE HZ 1 1 18 8785 1 1 3 PHE N N 2.057 -4.127 -2.869 1.00 . A A . 2 PHE N 1 1 18 8786 1 1 3 PHE O O 5.386 -3.557 -2.349 1.00 . A A . 2 PHE O 1 1 18 8787 1 1 4 GLU C C 4.870 -1.309 -5.891 1.00 . A A . 3 GLU C 1 1 18 8788 1 1 4 GLU CA C 5.332 -2.164 -4.722 1.00 . A A . 3 GLU CA 1 1 18 8789 1 1 4 GLU CB C 6.087 -3.457 -5.168 1.00 . A A . 3 GLU CB 1 1 18 8790 1 1 4 GLU CD C 8.433 -4.111 -5.828 1.00 . A A . 3 GLU CD 1 1 18 8791 1 1 4 GLU CG C 7.590 -3.461 -4.764 1.00 . A A . 3 GLU CG 1 1 18 8792 1 1 4 GLU H H 3.274 -2.131 -4.207 1.00 . A A . 3 GLU H 1 1 18 8793 1 1 4 GLU HA H 5.980 -1.537 -4.091 1.00 . A A . 3 GLU HA 1 1 18 8794 1 1 4 GLU HB2 H 5.617 -4.354 -4.737 1.00 . A A . 3 GLU HB2 1 1 18 8795 1 1 4 GLU HB3 H 6.022 -3.594 -6.255 1.00 . A A . 3 GLU HB3 1 1 18 8796 1 1 4 GLU HG2 H 7.989 -2.448 -4.632 1.00 . A A . 3 GLU HG2 1 1 18 8797 1 1 4 GLU HG3 H 7.723 -3.994 -3.810 1.00 . A A . 3 GLU HG3 1 1 18 8798 1 1 4 GLU N N 4.164 -2.481 -3.910 1.00 . A A . 3 GLU N 1 1 18 8799 1 1 4 GLU O O 4.715 -1.795 -7.001 1.00 . A A . 3 GLU O 1 1 18 8800 1 1 4 GLU OE1 O 8.121 -5.267 -6.222 1.00 . A A . 3 GLU OE1 1 1 18 8801 1 1 4 GLU OE2 O 9.412 -3.460 -6.287 1.00 . A A . 3 GLU OE2 1 1 18 8802 1 1 5 ASP C C 4.560 2.286 -6.487 1.00 . A A . 4 ASP C 1 1 18 8803 1 1 5 ASP CA C 4.147 0.863 -6.737 1.00 . A A . 4 ASP CA 1 1 18 8804 1 1 5 ASP CB C 2.616 0.712 -6.876 1.00 . A A . 4 ASP CB 1 1 18 8805 1 1 5 ASP CG C 1.888 0.827 -5.569 1.00 . A A . 4 ASP CG 1 1 18 8806 1 1 5 ASP H H 4.673 0.408 -4.749 1.00 . A A . 4 ASP H 1 1 18 8807 1 1 5 ASP HA H 4.625 0.599 -7.688 1.00 . A A . 4 ASP HA 1 1 18 8808 1 1 5 ASP HB2 H 2.162 1.434 -7.565 1.00 . A A . 4 ASP HB2 1 1 18 8809 1 1 5 ASP HB3 H 2.470 -0.290 -7.286 1.00 . A A . 4 ASP HB3 1 1 18 8810 1 1 5 ASP N N 4.620 -0.002 -5.661 1.00 . A A . 4 ASP N 1 1 18 8811 1 1 5 ASP O O 5.175 2.552 -5.468 1.00 . A A . 4 ASP O 1 1 18 8812 1 1 5 ASP OD1 O 2.489 1.328 -4.581 1.00 . A A . 4 ASP OD1 1 1 18 8813 1 1 5 ASP OD2 O 0.701 0.403 -5.531 1.00 . A A . 4 ASP OD2 1 1 18 8814 1 1 6 TRP C C 3.492 5.451 -7.854 1.00 . A A . 5 TRP C 1 1 18 8815 1 1 6 TRP CA C 4.575 4.601 -7.247 1.00 . A A . 5 TRP CA 1 1 18 8816 1 1 6 TRP CB C 5.931 4.892 -7.925 1.00 . A A . 5 TRP CB 1 1 18 8817 1 1 6 TRP CD1 C 6.417 3.200 -9.753 1.00 . A A . 5 TRP CD1 1 1 18 8818 1 1 6 TRP CD2 C 5.451 5.086 -10.571 1.00 . A A . 5 TRP CD2 1 1 18 8819 1 1 6 TRP CE2 C 5.749 4.196 -11.587 1.00 . A A . 5 TRP CE2 1 1 18 8820 1 1 6 TRP CE3 C 4.841 6.314 -10.807 1.00 . A A . 5 TRP CE3 1 1 18 8821 1 1 6 TRP CG C 5.946 4.384 -9.340 1.00 . A A . 5 TRP CG 1 1 18 8822 1 1 6 TRP CH2 C 4.914 5.750 -13.174 1.00 . A A . 5 TRP CH2 1 1 18 8823 1 1 6 TRP CZ2 C 5.507 4.512 -12.919 1.00 . A A . 5 TRP CZ2 1 1 18 8824 1 1 6 TRP CZ3 C 4.543 6.607 -12.138 1.00 . A A . 5 TRP CZ3 1 1 18 8825 1 1 6 TRP H H 3.816 2.933 -8.297 1.00 . A A . 5 TRP H 1 1 18 8826 1 1 6 TRP HA H 4.631 4.851 -6.176 1.00 . A A . 5 TRP HA 1 1 18 8827 1 1 6 TRP HB2 H 6.157 5.969 -7.919 1.00 . A A . 5 TRP HB2 1 1 18 8828 1 1 6 TRP HB3 H 6.713 4.368 -7.354 1.00 . A A . 5 TRP HB3 1 1 18 8829 1 1 6 TRP HD1 H 6.827 2.503 -9.037 1.00 . A A . 5 TRP HD1 1 1 18 8830 1 1 6 TRP HE1 H 6.565 2.248 -11.591 1.00 . A A . 5 TRP HE1 1 1 18 8831 1 1 6 TRP HE3 H 4.628 6.992 -9.997 1.00 . A A . 5 TRP HE3 1 1 18 8832 1 1 6 TRP HH2 H 4.749 6.065 -14.189 1.00 . A A . 5 TRP HH2 1 1 18 8833 1 1 6 TRP HZ2 H 5.759 3.870 -13.744 1.00 . A A . 5 TRP HZ2 1 1 18 8834 1 1 6 TRP HZ3 H 4.030 7.508 -12.411 1.00 . A A . 5 TRP HZ3 1 1 18 8835 1 1 6 TRP N N 4.246 3.198 -7.431 1.00 . A A . 5 TRP N 1 1 18 8836 1 1 6 TRP NE1 N 6.288 3.081 -11.048 1.00 . A A . 5 TRP NE1 1 1 18 8837 1 1 6 TRP O O 2.707 4.917 -8.621 1.00 . A A . 5 TRP O 1 1 18 8838 1 1 7 LEU C C 2.984 8.609 -8.978 1.00 . A A . 6 LEU C 1 1 18 8839 1 1 7 LEU CA C 2.402 7.638 -7.986 1.00 . A A . 6 LEU CA 1 1 18 8840 1 1 7 LEU CB C 1.788 8.482 -6.849 1.00 . A A . 6 LEU CB 1 1 18 8841 1 1 7 LEU CD1 C 2.160 7.651 -4.450 1.00 . A A . 6 LEU CD1 1 1 18 8842 1 1 7 LEU CD2 C -0.200 8.056 -5.328 1.00 . A A . 6 LEU CD2 1 1 18 8843 1 1 7 LEU CG C 1.234 7.598 -5.694 1.00 . A A . 6 LEU CG 1 1 18 8844 1 1 7 LEU H H 4.156 7.164 -6.917 1.00 . A A . 6 LEU H 1 1 18 8845 1 1 7 LEU HA H 1.584 7.063 -8.435 1.00 . A A . 6 LEU HA 1 1 18 8846 1 1 7 LEU HB2 H 2.545 9.185 -6.469 1.00 . A A . 6 LEU HB2 1 1 18 8847 1 1 7 LEU HB3 H 0.983 9.078 -7.308 1.00 . A A . 6 LEU HB3 1 1 18 8848 1 1 7 LEU HD11 H 3.126 7.173 -4.673 1.00 . A A . 6 LEU HD11 1 1 18 8849 1 1 7 LEU HD12 H 1.702 7.111 -3.607 1.00 . A A . 6 LEU HD12 1 1 18 8850 1 1 7 LEU HD13 H 2.341 8.690 -4.136 1.00 . A A . 6 LEU HD13 1 1 18 8851 1 1 7 LEU HD21 H -0.879 7.829 -6.164 1.00 . A A . 6 LEU HD21 1 1 18 8852 1 1 7 LEU HD22 H -0.218 9.138 -5.131 1.00 . A A . 6 LEU HD22 1 1 18 8853 1 1 7 LEU HD23 H -0.562 7.525 -4.436 1.00 . A A . 6 LEU HD23 1 1 18 8854 1 1 7 LEU HG H 1.163 6.545 -6.014 1.00 . A A . 6 LEU HG 1 1 18 8855 1 1 7 LEU N N 3.456 6.757 -7.501 1.00 . A A . 6 LEU N 1 1 18 8856 1 1 7 LEU O O 4.025 9.180 -8.692 1.00 . A A . 6 LEU O 1 1 18 8857 1 1 8 CYS C C 2.980 11.119 -10.659 1.00 . A A . 7 CYS C 1 1 18 8858 1 1 8 CYS CA C 2.944 9.691 -11.135 1.00 . A A . 7 CYS CA 1 1 18 8859 1 1 8 CYS CB C 2.140 9.566 -12.453 1.00 . A A . 7 CYS CB 1 1 18 8860 1 1 8 CYS H H 1.500 8.317 -10.376 1.00 . A A . 7 CYS H 1 1 18 8861 1 1 8 CYS HA H 3.994 9.403 -11.285 1.00 . A A . 7 CYS HA 1 1 18 8862 1 1 8 CYS HB2 H 1.991 8.518 -12.753 1.00 . A A . 7 CYS HB2 1 1 18 8863 1 1 8 CYS HB3 H 1.158 10.021 -12.307 1.00 . A A . 7 CYS HB3 1 1 18 8864 1 1 8 CYS N N 2.351 8.800 -10.151 1.00 . A A . 7 CYS N 1 1 18 8865 1 1 8 CYS O O 2.147 11.496 -9.851 1.00 . A A . 7 CYS O 1 1 18 8866 1 1 8 CYS SG S 2.937 10.443 -13.819 1.00 . A A . 7 CYS SG 1 1 18 8867 1 1 9 ASN C C 3.326 14.231 -11.742 1.00 . A A . 8 ASN C 1 1 18 8868 1 1 9 ASN CA C 4.046 13.326 -10.762 1.00 . A A . 8 ASN CA 1 1 18 8869 1 1 9 ASN CB C 5.552 13.693 -10.621 1.00 . A A . 8 ASN CB 1 1 18 8870 1 1 9 ASN CG C 5.858 14.178 -9.227 1.00 . A A . 8 ASN CG 1 1 18 8871 1 1 9 ASN H H 4.555 11.598 -11.889 1.00 . A A . 8 ASN H 1 1 18 8872 1 1 9 ASN HA H 3.561 13.476 -9.786 1.00 . A A . 8 ASN HA 1 1 18 8873 1 1 9 ASN HB2 H 6.185 12.805 -10.765 1.00 . A A . 8 ASN HB2 1 1 18 8874 1 1 9 ASN HB3 H 5.858 14.423 -11.385 1.00 . A A . 8 ASN HB3 1 1 18 8875 1 1 9 ASN HD21 H 6.198 16.134 -9.762 1.00 . A A . 8 ASN HD21 1 1 18 8876 1 1 9 ASN HD22 H 6.379 15.764 -8.081 1.00 . A A . 8 ASN HD22 1 1 18 8877 1 1 9 ASN N N 3.937 11.927 -11.173 1.00 . A A . 8 ASN N 1 1 18 8878 1 1 9 ASN ND2 N 6.168 15.471 -9.014 1.00 . A A . 8 ASN ND2 1 1 18 8879 1 1 9 ASN O O 3.654 15.403 -11.828 1.00 . A A . 8 ASN O 1 1 18 8880 1 1 9 ASN OD1 O 5.820 13.376 -8.308 1.00 . A A . 8 ASN OD1 1 1 18 8881 1 1 10 LYS C C 0.174 14.167 -13.454 1.00 . A A . 9 LYS C 1 1 18 8882 1 1 10 LYS CA C 1.653 14.468 -13.523 1.00 . A A . 9 LYS CA 1 1 18 8883 1 1 10 LYS CB C 2.282 14.072 -14.886 1.00 . A A . 9 LYS CB 1 1 18 8884 1 1 10 LYS CD C 1.479 15.931 -16.493 1.00 . A A . 9 LYS CD 1 1 18 8885 1 1 10 LYS CE C 1.934 16.540 -17.846 1.00 . A A . 9 LYS CE 1 1 18 8886 1 1 10 LYS CG C 2.688 15.284 -15.762 1.00 . A A . 9 LYS CG 1 1 18 8887 1 1 10 LYS H H 2.106 12.738 -12.400 1.00 . A A . 9 LYS H 1 1 18 8888 1 1 10 LYS HA H 1.764 15.547 -13.342 1.00 . A A . 9 LYS HA 1 1 18 8889 1 1 10 LYS HB2 H 3.206 13.508 -14.680 1.00 . A A . 9 LYS HB2 1 1 18 8890 1 1 10 LYS HB3 H 1.620 13.402 -15.456 1.00 . A A . 9 LYS HB3 1 1 18 8891 1 1 10 LYS HD2 H 0.722 15.164 -16.714 1.00 . A A . 9 LYS HD2 1 1 18 8892 1 1 10 LYS HD3 H 1.015 16.702 -15.858 1.00 . A A . 9 LYS HD3 1 1 18 8893 1 1 10 LYS HE2 H 2.684 17.325 -17.666 1.00 . A A . 9 LYS HE2 1 1 18 8894 1 1 10 LYS HE3 H 2.400 15.743 -18.448 1.00 . A A . 9 LYS HE3 1 1 18 8895 1 1 10 LYS HG2 H 3.222 16.042 -15.166 1.00 . A A . 9 LYS HG2 1 1 18 8896 1 1 10 LYS HG3 H 3.397 14.892 -16.505 1.00 . A A . 9 LYS HG3 1 1 18 8897 1 1 10 LYS HZ1 H 1.061 17.126 -19.676 1.00 . A A . 9 LYS HZ1 1 1 18 8898 1 1 10 LYS HZ2 H 0.560 18.092 -18.307 1.00 . A A . 9 LYS HZ2 1 1 18 8899 1 1 10 LYS HZ3 H -0.087 16.482 -18.550 1.00 . A A . 9 LYS HZ3 1 1 18 8900 1 1 10 LYS N N 2.337 13.696 -12.491 1.00 . A A . 9 LYS N 1 1 18 8901 1 1 10 LYS NZ N 0.804 17.089 -18.626 1.00 . A A . 9 LYS NZ 1 1 18 8902 1 1 10 LYS O O -0.604 15.089 -13.280 1.00 . A A . 9 LYS O 1 1 18 8903 1 1 11 CYS C C -1.897 11.893 -12.024 1.00 . A A . 10 CYS C 1 1 18 8904 1 1 11 CYS CA C -1.628 12.528 -13.377 1.00 . A A . 10 CYS CA 1 1 18 8905 1 1 11 CYS CB C -2.017 11.560 -14.508 1.00 . A A . 10 CYS CB 1 1 18 8906 1 1 11 CYS H H 0.417 12.152 -13.768 1.00 . A A . 10 CYS H 1 1 18 8907 1 1 11 CYS HA H -2.294 13.396 -13.491 1.00 . A A . 10 CYS HA 1 1 18 8908 1 1 11 CYS HB2 H -3.066 11.284 -14.392 1.00 . A A . 10 CYS HB2 1 1 18 8909 1 1 11 CYS HB3 H -1.843 11.990 -15.507 1.00 . A A . 10 CYS HB3 1 1 18 8910 1 1 11 CYS N N -0.228 12.884 -13.570 1.00 . A A . 10 CYS N 1 1 18 8911 1 1 11 CYS O O -3.046 11.587 -11.752 1.00 . A A . 10 CYS O 1 1 18 8912 1 1 11 CYS SG S -1.044 10.062 -14.350 1.00 . A A . 10 CYS SG 1 1 18 8913 1 1 12 CYS C C -1.666 9.663 -9.912 1.00 . A A . 11 CYS C 1 1 18 8914 1 1 12 CYS CA C -1.160 11.088 -9.834 1.00 . A A . 11 CYS CA 1 1 18 8915 1 1 12 CYS CB C -2.122 12.021 -9.051 1.00 . A A . 11 CYS CB 1 1 18 8916 1 1 12 CYS H H 0.053 11.939 -11.337 1.00 . A A . 11 CYS H 1 1 18 8917 1 1 12 CYS HA H -0.217 11.037 -9.272 1.00 . A A . 11 CYS HA 1 1 18 8918 1 1 12 CYS HB2 H -2.140 13.008 -9.538 1.00 . A A . 11 CYS HB2 1 1 18 8919 1 1 12 CYS HB3 H -3.147 11.620 -9.039 1.00 . A A . 11 CYS HB3 1 1 18 8920 1 1 12 CYS HG H -2.067 11.619 -6.882 1.00 . A A . 11 CYS HG 1 1 18 8921 1 1 12 CYS N N -0.890 11.680 -11.145 1.00 . A A . 11 CYS N 1 1 18 8922 1 1 12 CYS O O -2.209 9.165 -8.939 1.00 . A A . 11 CYS O 1 1 18 8923 1 1 12 CYS SG S -1.531 12.329 -7.353 1.00 . A A . 11 CYS SG 1 1 18 8924 1 1 13 LEU C C -1.005 6.683 -10.623 1.00 . A A . 12 LEU C 1 1 18 8925 1 1 13 LEU CA C -2.002 7.636 -11.240 1.00 . A A . 12 LEU CA 1 1 18 8926 1 1 13 LEU CB C -2.151 7.307 -12.751 1.00 . A A . 12 LEU CB 1 1 18 8927 1 1 13 LEU CD1 C -4.387 6.012 -12.950 1.00 . A A . 12 LEU CD1 1 1 18 8928 1 1 13 LEU CD2 C -2.316 5.198 -14.277 1.00 . A A . 12 LEU CD2 1 1 18 8929 1 1 13 LEU CG C -2.832 5.926 -13.004 1.00 . A A . 12 LEU CG 1 1 18 8930 1 1 13 LEU H H -0.987 9.379 -11.821 1.00 . A A . 12 LEU H 1 1 18 8931 1 1 13 LEU HA H -2.995 7.566 -10.767 1.00 . A A . 12 LEU HA 1 1 18 8932 1 1 13 LEU HB2 H -2.723 8.108 -13.243 1.00 . A A . 12 LEU HB2 1 1 18 8933 1 1 13 LEU HB3 H -1.132 7.324 -13.164 1.00 . A A . 12 LEU HB3 1 1 18 8934 1 1 13 LEU HD11 H -4.773 5.469 -12.076 1.00 . A A . 12 LEU HD11 1 1 18 8935 1 1 13 LEU HD12 H -4.865 5.578 -13.840 1.00 . A A . 12 LEU HD12 1 1 18 8936 1 1 13 LEU HD13 H -4.721 7.055 -12.861 1.00 . A A . 12 LEU HD13 1 1 18 8937 1 1 13 LEU HD21 H -1.299 5.517 -14.557 1.00 . A A . 12 LEU HD21 1 1 18 8938 1 1 13 LEU HD22 H -2.995 5.358 -15.120 1.00 . A A . 12 LEU HD22 1 1 18 8939 1 1 13 LEU HD23 H -2.279 4.113 -14.099 1.00 . A A . 12 LEU HD23 1 1 18 8940 1 1 13 LEU HG H -2.518 5.245 -12.208 1.00 . A A . 12 LEU HG 1 1 18 8941 1 1 13 LEU N N -1.492 8.986 -11.066 1.00 . A A . 12 LEU N 1 1 18 8942 1 1 13 LEU O O 0.188 6.922 -10.738 1.00 . A A . 12 LEU O 1 1 18 8943 1 1 14 ASN C C 0.014 3.745 -10.441 1.00 . A A . 13 ASN C 1 1 18 8944 1 1 14 ASN CA C -0.582 4.634 -9.373 1.00 . A A . 13 ASN CA 1 1 18 8945 1 1 14 ASN CB C -1.304 3.746 -8.320 1.00 . A A . 13 ASN CB 1 1 18 8946 1 1 14 ASN CG C -0.537 3.676 -7.023 1.00 . A A . 13 ASN CG 1 1 18 8947 1 1 14 ASN H H -2.476 5.455 -9.908 1.00 . A A . 13 ASN H 1 1 18 8948 1 1 14 ASN HA H 0.206 5.203 -8.867 1.00 . A A . 13 ASN HA 1 1 18 8949 1 1 14 ASN HB2 H -2.307 4.142 -8.107 1.00 . A A . 13 ASN HB2 1 1 18 8950 1 1 14 ASN HB3 H -1.431 2.724 -8.710 1.00 . A A . 13 ASN HB3 1 1 18 8951 1 1 14 ASN HD21 H -2.208 3.873 -5.821 1.00 . A A . 13 ASN HD21 1 1 18 8952 1 1 14 ASN HD22 H -0.698 3.714 -5.004 1.00 . A A . 13 ASN HD22 1 1 18 8953 1 1 14 ASN N N -1.490 5.606 -9.970 1.00 . A A . 13 ASN N 1 1 18 8954 1 1 14 ASN ND2 N -1.214 3.765 -5.859 1.00 . A A . 13 ASN ND2 1 1 18 8955 1 1 14 ASN O O -0.642 3.528 -11.448 1.00 . A A . 13 ASN O 1 1 18 8956 1 1 14 ASN OD1 O 0.674 3.537 -7.053 1.00 . A A . 13 ASN OD1 1 1 18 8957 1 1 15 ASN C C 2.782 1.325 -10.609 1.00 . A A . 14 ASN C 1 1 18 8958 1 1 15 ASN CA C 1.813 2.304 -11.232 1.00 . A A . 14 ASN CA 1 1 18 8959 1 1 15 ASN CB C 2.578 3.089 -12.320 1.00 . A A . 14 ASN CB 1 1 18 8960 1 1 15 ASN CG C 1.664 3.664 -13.369 1.00 . A A . 14 ASN CG 1 1 18 8961 1 1 15 ASN H H 1.775 3.439 -9.428 1.00 . A A . 14 ASN H 1 1 18 8962 1 1 15 ASN HA H 1.000 1.714 -11.679 1.00 . A A . 14 ASN HA 1 1 18 8963 1 1 15 ASN HB2 H 3.110 3.901 -11.807 1.00 . A A . 14 ASN HB2 1 1 18 8964 1 1 15 ASN HB3 H 3.314 2.440 -12.820 1.00 . A A . 14 ASN HB3 1 1 18 8965 1 1 15 ASN HD21 H 1.025 1.838 -14.069 1.00 . A A . 14 ASN HD21 1 1 18 8966 1 1 15 ASN HD22 H 0.332 3.221 -14.828 1.00 . A A . 14 ASN HD22 1 1 18 8967 1 1 15 ASN N N 1.235 3.203 -10.240 1.00 . A A . 14 ASN N 1 1 18 8968 1 1 15 ASN ND2 N 0.957 2.828 -14.157 1.00 . A A . 14 ASN ND2 1 1 18 8969 1 1 15 ASN O O 3.430 1.673 -9.638 1.00 . A A . 14 ASN O 1 1 18 8970 1 1 15 ASN OD1 O 1.587 4.874 -13.492 1.00 . A A . 14 ASN OD1 1 1 18 8971 1 1 16 PHE C C 5.119 -0.524 -10.392 1.00 . A A . 15 PHE C 1 1 18 8972 1 1 16 PHE CA C 3.677 -0.961 -10.545 1.00 . A A . 15 PHE CA 1 1 18 8973 1 1 16 PHE CB C 3.635 -2.305 -11.347 1.00 . A A . 15 PHE CB 1 1 18 8974 1 1 16 PHE CD1 C 4.319 -4.013 -9.550 1.00 . A A . 15 PHE CD1 1 1 18 8975 1 1 16 PHE CD2 C 2.231 -4.337 -10.676 1.00 . A A . 15 PHE CD2 1 1 18 8976 1 1 16 PHE CE1 C 4.059 -5.107 -8.724 1.00 . A A . 15 PHE CE1 1 1 18 8977 1 1 16 PHE CE2 C 1.953 -5.423 -9.842 1.00 . A A . 15 PHE CE2 1 1 18 8978 1 1 16 PHE CG C 3.393 -3.574 -10.501 1.00 . A A . 15 PHE CG 1 1 18 8979 1 1 16 PHE CZ C 2.864 -5.811 -8.860 1.00 . A A . 15 PHE CZ 1 1 18 8980 1 1 16 PHE H H 2.364 -0.103 -12.002 1.00 . A A . 15 PHE H 1 1 18 8981 1 1 16 PHE HA H 3.233 -1.134 -9.556 1.00 . A A . 15 PHE HA 1 1 18 8982 1 1 16 PHE HB2 H 2.832 -2.278 -12.095 1.00 . A A . 15 PHE HB2 1 1 18 8983 1 1 16 PHE HB3 H 4.570 -2.435 -11.910 1.00 . A A . 15 PHE HB3 1 1 18 8984 1 1 16 PHE HD1 H 5.269 -3.530 -9.427 1.00 . A A . 15 PHE HD1 1 1 18 8985 1 1 16 PHE HD2 H 1.526 -4.106 -11.464 1.00 . A A . 15 PHE HD2 1 1 18 8986 1 1 16 PHE HE1 H 4.790 -5.408 -7.980 1.00 . A A . 15 PHE HE1 1 1 18 8987 1 1 16 PHE HE2 H 1.026 -5.974 -9.958 1.00 . A A . 15 PHE HE2 1 1 18 8988 1 1 16 PHE HZ H 2.651 -6.653 -8.210 1.00 . A A . 15 PHE HZ 1 1 18 8989 1 1 16 PHE N N 2.876 0.096 -11.170 1.00 . A A . 15 PHE N 1 1 18 8990 1 1 16 PHE O O 5.626 0.180 -11.250 1.00 . A A . 15 PHE O 1 1 18 8991 1 1 17 ARG C C 8.074 -1.136 -10.382 1.00 . A A . 16 ARG C 1 1 18 8992 1 1 17 ARG CA C 7.250 -0.660 -9.215 1.00 . A A . 16 ARG CA 1 1 18 8993 1 1 17 ARG CB C 7.881 -1.192 -7.895 1.00 . A A . 16 ARG CB 1 1 18 8994 1 1 17 ARG CD C 9.189 0.879 -7.215 1.00 . A A . 16 ARG CD 1 1 18 8995 1 1 17 ARG CG C 7.999 -0.051 -6.852 1.00 . A A . 16 ARG CG 1 1 18 8996 1 1 17 ARG CZ C 11.613 1.044 -6.834 1.00 . A A . 16 ARG CZ 1 1 18 8997 1 1 17 ARG H H 5.370 -1.447 -8.584 1.00 . A A . 16 ARG H 1 1 18 8998 1 1 17 ARG HA H 7.343 0.419 -9.282 1.00 . A A . 16 ARG HA 1 1 18 8999 1 1 17 ARG HB2 H 7.286 -2.018 -7.493 1.00 . A A . 16 ARG HB2 1 1 18 9000 1 1 17 ARG HB3 H 8.888 -1.595 -8.083 1.00 . A A . 16 ARG HB3 1 1 18 9001 1 1 17 ARG HD2 H 9.340 0.767 -8.293 1.00 . A A . 16 ARG HD2 1 1 18 9002 1 1 17 ARG HD3 H 8.904 1.921 -7.001 1.00 . A A . 16 ARG HD3 1 1 18 9003 1 1 17 ARG HE H 10.351 0.009 -5.642 1.00 . A A . 16 ARG HE 1 1 18 9004 1 1 17 ARG HG2 H 7.057 0.519 -6.851 1.00 . A A . 16 ARG HG2 1 1 18 9005 1 1 17 ARG HG3 H 8.121 -0.461 -5.842 1.00 . A A . 16 ARG HG3 1 1 18 9006 1 1 17 ARG HH11 H 11.091 1.952 -8.576 1.00 . A A . 16 ARG HH11 1 1 18 9007 1 1 17 ARG HH12 H 12.774 2.105 -8.140 1.00 . A A . 16 ARG HH12 1 1 18 9008 1 1 17 ARG HH21 H 12.541 0.224 -5.211 1.00 . A A . 16 ARG HH21 1 1 18 9009 1 1 17 ARG HH22 H 13.586 1.117 -6.311 1.00 . A A . 16 ARG HH22 1 1 18 9010 1 1 17 ARG N N 5.823 -0.950 -9.324 1.00 . A A . 16 ARG N 1 1 18 9011 1 1 17 ARG NE N 10.429 0.594 -6.486 1.00 . A A . 16 ARG NE 1 1 18 9012 1 1 17 ARG NH1 N 11.833 1.756 -7.912 1.00 . A A . 16 ARG NH1 1 1 18 9013 1 1 17 ARG NH2 N 12.643 0.779 -6.072 1.00 . A A . 16 ARG NH2 1 1 18 9014 1 1 17 ARG O O 9.098 -0.543 -10.684 1.00 . A A . 16 ARG O 1 1 18 9015 1 1 18 LYS C C 8.206 -1.821 -13.376 1.00 . A A . 17 LYS C 1 1 18 9016 1 1 18 LYS CA C 8.360 -2.734 -12.184 1.00 . A A . 17 LYS CA 1 1 18 9017 1 1 18 LYS CB C 7.772 -4.116 -12.585 1.00 . A A . 17 LYS CB 1 1 18 9018 1 1 18 LYS CD C 8.349 -6.357 -13.593 1.00 . A A . 17 LYS CD 1 1 18 9019 1 1 18 LYS CE C 9.155 -7.651 -13.306 1.00 . A A . 17 LYS CE 1 1 18 9020 1 1 18 LYS CG C 8.891 -5.162 -12.775 1.00 . A A . 17 LYS CG 1 1 18 9021 1 1 18 LYS H H 6.772 -2.625 -10.783 1.00 . A A . 17 LYS H 1 1 18 9022 1 1 18 LYS HA H 9.423 -2.816 -11.905 1.00 . A A . 17 LYS HA 1 1 18 9023 1 1 18 LYS HB2 H 7.118 -4.548 -11.810 1.00 . A A . 17 LYS HB2 1 1 18 9024 1 1 18 LYS HB3 H 7.171 -4.008 -13.501 1.00 . A A . 17 LYS HB3 1 1 18 9025 1 1 18 LYS HD2 H 7.289 -6.547 -13.358 1.00 . A A . 17 LYS HD2 1 1 18 9026 1 1 18 LYS HD3 H 8.416 -6.076 -14.655 1.00 . A A . 17 LYS HD3 1 1 18 9027 1 1 18 LYS HE2 H 10.121 -7.422 -12.828 1.00 . A A . 17 LYS HE2 1 1 18 9028 1 1 18 LYS HE3 H 8.570 -8.278 -12.612 1.00 . A A . 17 LYS HE3 1 1 18 9029 1 1 18 LYS HG2 H 9.752 -4.735 -13.315 1.00 . A A . 17 LYS HG2 1 1 18 9030 1 1 18 LYS HG3 H 9.221 -5.474 -11.770 1.00 . A A . 17 LYS HG3 1 1 18 9031 1 1 18 LYS HZ1 H 8.549 -8.500 -15.165 1.00 . A A . 17 LYS HZ1 1 1 18 9032 1 1 18 LYS HZ2 H 9.795 -9.385 -14.314 1.00 . A A . 17 LYS HZ2 1 1 18 9033 1 1 18 LYS HZ3 H 10.198 -7.888 -15.121 1.00 . A A . 17 LYS HZ3 1 1 18 9034 1 1 18 LYS N N 7.629 -2.213 -11.044 1.00 . A A . 17 LYS N 1 1 18 9035 1 1 18 LYS NZ N 9.431 -8.395 -14.551 1.00 . A A . 17 LYS NZ 1 1 18 9036 1 1 18 LYS O O 9.012 -1.888 -14.289 1.00 . A A . 17 LYS O 1 1 18 9037 1 1 19 ARG C C 8.086 0.767 -14.781 1.00 . A A . 18 ARG C 1 1 18 9038 1 1 19 ARG CA C 6.907 -0.157 -14.569 1.00 . A A . 18 ARG CA 1 1 18 9039 1 1 19 ARG CB C 5.640 0.736 -14.402 1.00 . A A . 18 ARG CB 1 1 18 9040 1 1 19 ARG CD C 3.488 -0.164 -15.397 1.00 . A A . 18 ARG CD 1 1 18 9041 1 1 19 ARG CG C 4.689 0.790 -15.624 1.00 . A A . 18 ARG CG 1 1 18 9042 1 1 19 ARG CZ C 3.082 -1.115 -17.612 1.00 . A A . 18 ARG CZ 1 1 18 9043 1 1 19 ARG H H 6.517 -0.915 -12.633 1.00 . A A . 18 ARG H 1 1 18 9044 1 1 19 ARG HA H 6.789 -0.841 -15.424 1.00 . A A . 18 ARG HA 1 1 18 9045 1 1 19 ARG HB2 H 5.012 0.453 -13.550 1.00 . A A . 18 ARG HB2 1 1 18 9046 1 1 19 ARG HB3 H 6.010 1.740 -14.192 1.00 . A A . 18 ARG HB3 1 1 18 9047 1 1 19 ARG HD2 H 3.777 -1.134 -14.966 1.00 . A A . 18 ARG HD2 1 1 18 9048 1 1 19 ARG HD3 H 2.832 0.312 -14.651 1.00 . A A . 18 ARG HD3 1 1 18 9049 1 1 19 ARG HE H 1.844 0.206 -16.697 1.00 . A A . 18 ARG HE 1 1 18 9050 1 1 19 ARG HG2 H 4.279 1.808 -15.717 1.00 . A A . 18 ARG HG2 1 1 18 9051 1 1 19 ARG HG3 H 5.217 0.563 -16.560 1.00 . A A . 18 ARG HG3 1 1 18 9052 1 1 19 ARG HH11 H 4.827 -1.820 -16.805 1.00 . A A . 18 ARG HH11 1 1 18 9053 1 1 19 ARG HH12 H 4.420 -2.444 -18.389 1.00 . A A . 18 ARG HH12 1 1 18 9054 1 1 19 ARG HH21 H 1.431 -0.656 -18.724 1.00 . A A . 18 ARG HH21 1 1 18 9055 1 1 19 ARG HH22 H 2.553 -1.792 -19.464 1.00 . A A . 18 ARG HH22 1 1 18 9056 1 1 19 ARG N N 7.148 -0.983 -13.399 1.00 . A A . 18 ARG N 1 1 18 9057 1 1 19 ARG NE N 2.724 -0.325 -16.627 1.00 . A A . 18 ARG NE 1 1 18 9058 1 1 19 ARG NH1 N 4.178 -1.834 -17.597 1.00 . A A . 18 ARG NH1 1 1 18 9059 1 1 19 ARG NH2 N 2.308 -1.192 -18.665 1.00 . A A . 18 ARG NH2 1 1 18 9060 1 1 19 ARG O O 8.836 1.014 -13.850 1.00 . A A . 18 ARG O 1 1 18 9061 1 1 20 LEU C C 8.627 3.683 -16.431 1.00 . A A . 19 LEU C 1 1 18 9062 1 1 20 LEU CA C 9.234 2.310 -16.306 1.00 . A A . 19 LEU CA 1 1 18 9063 1 1 20 LEU CB C 9.901 1.947 -17.656 1.00 . A A . 19 LEU CB 1 1 18 9064 1 1 20 LEU CD1 C 10.528 -0.426 -18.431 1.00 . A A . 19 LEU CD1 1 1 18 9065 1 1 20 LEU CD2 C 12.357 1.172 -17.633 1.00 . A A . 19 LEU CD2 1 1 18 9066 1 1 20 LEU CG C 10.873 0.743 -17.471 1.00 . A A . 19 LEU CG 1 1 18 9067 1 1 20 LEU H H 7.605 1.011 -16.741 1.00 . A A . 19 LEU H 1 1 18 9068 1 1 20 LEU HA H 10.004 2.382 -15.520 1.00 . A A . 19 LEU HA 1 1 18 9069 1 1 20 LEU HB2 H 9.106 1.729 -18.385 1.00 . A A . 19 LEU HB2 1 1 18 9070 1 1 20 LEU HB3 H 10.440 2.827 -18.040 1.00 . A A . 19 LEU HB3 1 1 18 9071 1 1 20 LEU HD11 H 9.678 -0.996 -18.024 1.00 . A A . 19 LEU HD11 1 1 18 9072 1 1 20 LEU HD12 H 11.388 -1.104 -18.531 1.00 . A A . 19 LEU HD12 1 1 18 9073 1 1 20 LEU HD13 H 10.260 -0.055 -19.432 1.00 . A A . 19 LEU HD13 1 1 18 9074 1 1 20 LEU HD21 H 12.648 1.147 -18.694 1.00 . A A . 19 LEU HD21 1 1 18 9075 1 1 20 LEU HD22 H 13.003 0.478 -17.074 1.00 . A A . 19 LEU HD22 1 1 18 9076 1 1 20 LEU HD23 H 12.536 2.185 -17.240 1.00 . A A . 19 LEU HD23 1 1 18 9077 1 1 20 LEU HG H 10.774 0.343 -16.449 1.00 . A A . 19 LEU HG 1 1 18 9078 1 1 20 LEU N N 8.221 1.299 -16.012 1.00 . A A . 19 LEU N 1 1 18 9079 1 1 20 LEU O O 9.319 4.638 -16.125 1.00 . A A . 19 LEU O 1 1 18 9080 1 1 21 LYS C C 5.352 5.100 -16.980 1.00 . A A . 20 LYS C 1 1 18 9081 1 1 21 LYS CA C 6.841 5.175 -17.057 1.00 . A A . 20 LYS CA 1 1 18 9082 1 1 21 LYS CB C 7.264 5.797 -18.413 1.00 . A A . 20 LYS CB 1 1 18 9083 1 1 21 LYS CD C 7.468 5.375 -20.941 1.00 . A A . 20 LYS CD 1 1 18 9084 1 1 21 LYS CE C 8.365 4.294 -21.602 1.00 . A A . 20 LYS CE 1 1 18 9085 1 1 21 LYS CG C 6.892 4.868 -19.589 1.00 . A A . 20 LYS CG 1 1 18 9086 1 1 21 LYS H H 6.749 3.086 -17.108 1.00 . A A . 20 LYS H 1 1 18 9087 1 1 21 LYS HA H 7.158 5.786 -16.201 1.00 . A A . 20 LYS HA 1 1 18 9088 1 1 21 LYS HB2 H 6.770 6.767 -18.576 1.00 . A A . 20 LYS HB2 1 1 18 9089 1 1 21 LYS HB3 H 8.354 5.943 -18.401 1.00 . A A . 20 LYS HB3 1 1 18 9090 1 1 21 LYS HD2 H 6.622 5.614 -21.604 1.00 . A A . 20 LYS HD2 1 1 18 9091 1 1 21 LYS HD3 H 8.060 6.295 -20.812 1.00 . A A . 20 LYS HD3 1 1 18 9092 1 1 21 LYS HE2 H 9.341 4.274 -21.089 1.00 . A A . 20 LYS HE2 1 1 18 9093 1 1 21 LYS HE3 H 7.901 3.300 -21.510 1.00 . A A . 20 LYS HE3 1 1 18 9094 1 1 21 LYS HG2 H 7.286 3.868 -19.364 1.00 . A A . 20 LYS HG2 1 1 18 9095 1 1 21 LYS HG3 H 5.795 4.796 -19.662 1.00 . A A . 20 LYS HG3 1 1 18 9096 1 1 21 LYS HZ1 H 9.101 3.718 -23.490 1.00 . A A . 20 LYS HZ1 1 1 18 9097 1 1 21 LYS HZ2 H 9.105 5.452 -23.220 1.00 . A A . 20 LYS HZ2 1 1 18 9098 1 1 21 LYS HZ3 H 7.605 4.600 -23.558 1.00 . A A . 20 LYS HZ3 1 1 18 9099 1 1 21 LYS N N 7.364 3.835 -16.875 1.00 . A A . 20 LYS N 1 1 18 9100 1 1 21 LYS NZ N 8.556 4.539 -23.045 1.00 . A A . 20 LYS NZ 1 1 18 9101 1 1 21 LYS O O 4.793 4.027 -17.138 1.00 . A A . 20 LYS O 1 1 18 9102 1 1 22 CYS C C 2.587 5.756 -17.726 1.00 . A A . 21 CYS C 1 1 18 9103 1 1 22 CYS CA C 3.297 6.213 -16.481 1.00 . A A . 21 CYS CA 1 1 18 9104 1 1 22 CYS CB C 2.839 7.613 -16.049 1.00 . A A . 21 CYS CB 1 1 18 9105 1 1 22 CYS H H 5.203 7.125 -16.625 1.00 . A A . 21 CYS H 1 1 18 9106 1 1 22 CYS HA H 3.098 5.514 -15.654 1.00 . A A . 21 CYS HA 1 1 18 9107 1 1 22 CYS HB2 H 3.449 7.994 -15.217 1.00 . A A . 21 CYS HB2 1 1 18 9108 1 1 22 CYS HB3 H 2.871 8.318 -16.892 1.00 . A A . 21 CYS HB3 1 1 18 9109 1 1 22 CYS N N 4.719 6.250 -16.712 1.00 . A A . 21 CYS N 1 1 18 9110 1 1 22 CYS O O 2.824 6.315 -18.783 1.00 . A A . 21 CYS O 1 1 18 9111 1 1 22 CYS SG S 1.162 7.390 -15.442 1.00 . A A . 21 CYS SG 1 1 18 9112 1 1 23 PHE C C -0.156 5.139 -19.169 1.00 . A A . 22 PHE C 1 1 18 9113 1 1 23 PHE CA C 1.011 4.248 -18.798 1.00 . A A . 22 PHE CA 1 1 18 9114 1 1 23 PHE CB C 0.521 2.812 -18.484 1.00 . A A . 22 PHE CB 1 1 18 9115 1 1 23 PHE CD1 C 1.627 1.484 -20.326 1.00 . A A . 22 PHE CD1 1 1 18 9116 1 1 23 PHE CD2 C -0.787 1.624 -20.322 1.00 . A A . 22 PHE CD2 1 1 18 9117 1 1 23 PHE CE1 C 1.582 0.665 -21.455 1.00 . A A . 22 PHE CE1 1 1 18 9118 1 1 23 PHE CE2 C -0.832 0.805 -21.452 1.00 . A A . 22 PHE CE2 1 1 18 9119 1 1 23 PHE CG C 0.444 1.954 -19.748 1.00 . A A . 22 PHE CG 1 1 18 9120 1 1 23 PHE CZ C 0.351 0.324 -22.017 1.00 . A A . 22 PHE CZ 1 1 18 9121 1 1 23 PHE H H 1.478 4.354 -16.724 1.00 . A A . 22 PHE H 1 1 18 9122 1 1 23 PHE HA H 1.718 4.207 -19.640 1.00 . A A . 22 PHE HA 1 1 18 9123 1 1 23 PHE HB2 H 1.249 2.305 -17.835 1.00 . A A . 22 PHE HB2 1 1 18 9124 1 1 23 PHE HB3 H -0.442 2.848 -17.951 1.00 . A A . 22 PHE HB3 1 1 18 9125 1 1 23 PHE HD1 H 2.589 1.750 -19.897 1.00 . A A . 22 PHE HD1 1 1 18 9126 1 1 23 PHE HD2 H -1.710 2.001 -19.895 1.00 . A A . 22 PHE HD2 1 1 18 9127 1 1 23 PHE HE1 H 2.502 0.297 -21.895 1.00 . A A . 22 PHE HE1 1 1 18 9128 1 1 23 PHE HE2 H -1.789 0.541 -21.890 1.00 . A A . 22 PHE HE2 1 1 18 9129 1 1 23 PHE HZ H 0.313 -0.313 -22.895 1.00 . A A . 22 PHE HZ 1 1 18 9130 1 1 23 PHE N N 1.705 4.742 -17.617 1.00 . A A . 22 PHE N 1 1 18 9131 1 1 23 PHE O O -0.791 4.874 -20.177 1.00 . A A . 22 PHE O 1 1 18 9132 1 1 24 ARG C C -1.148 8.251 -19.431 1.00 . A A . 23 ARG C 1 1 18 9133 1 1 24 ARG CA C -1.599 7.052 -18.636 1.00 . A A . 23 ARG CA 1 1 18 9134 1 1 24 ARG CB C -2.201 7.542 -17.290 1.00 . A A . 23 ARG CB 1 1 18 9135 1 1 24 ARG CD C -4.158 8.944 -16.320 1.00 . A A . 23 ARG CD 1 1 18 9136 1 1 24 ARG CG C -3.688 7.952 -17.428 1.00 . A A . 23 ARG CG 1 1 18 9137 1 1 24 ARG CZ C -5.881 9.183 -14.590 1.00 . A A . 23 ARG CZ 1 1 18 9138 1 1 24 ARG H H 0.074 6.398 -17.562 1.00 . A A . 23 ARG H 1 1 18 9139 1 1 24 ARG HA H -2.376 6.492 -19.180 1.00 . A A . 23 ARG HA 1 1 18 9140 1 1 24 ARG HB2 H -2.124 6.712 -16.592 1.00 . A A . 23 ARG HB2 1 1 18 9141 1 1 24 ARG HB3 H -1.622 8.363 -16.855 1.00 . A A . 23 ARG HB3 1 1 18 9142 1 1 24 ARG HD2 H -3.327 9.226 -15.665 1.00 . A A . 23 ARG HD2 1 1 18 9143 1 1 24 ARG HD3 H -4.498 9.837 -16.865 1.00 . A A . 23 ARG HD3 1 1 18 9144 1 1 24 ARG HE H -5.345 7.416 -15.422 1.00 . A A . 23 ARG HE 1 1 18 9145 1 1 24 ARG HG2 H -3.798 8.450 -18.404 1.00 . A A . 23 ARG HG2 1 1 18 9146 1 1 24 ARG HG3 H -4.299 7.038 -17.453 1.00 . A A . 23 ARG HG3 1 1 18 9147 1 1 24 ARG HH11 H -5.155 11.014 -15.135 1.00 . A A . 23 ARG HH11 1 1 18 9148 1 1 24 ARG HH12 H -6.320 11.030 -13.833 1.00 . A A . 23 ARG HH12 1 1 18 9149 1 1 24 ARG HH21 H -6.892 7.588 -13.807 1.00 . A A . 23 ARG HH21 1 1 18 9150 1 1 24 ARG HH22 H -7.295 9.155 -13.117 1.00 . A A . 23 ARG HH22 1 1 18 9151 1 1 24 ARG N N -0.462 6.183 -18.365 1.00 . A A . 23 ARG N 1 1 18 9152 1 1 24 ARG NE N -5.187 8.431 -15.416 1.00 . A A . 23 ARG NE 1 1 18 9153 1 1 24 ARG NH1 N -5.772 10.486 -14.515 1.00 . A A . 23 ARG NH1 1 1 18 9154 1 1 24 ARG NH2 N -6.741 8.606 -13.789 1.00 . A A . 23 ARG NH2 1 1 18 9155 1 1 24 ARG O O -1.606 8.435 -20.546 1.00 . A A . 23 ARG O 1 1 18 9156 1 1 25 CYS C C 1.418 9.894 -20.387 1.00 . A A . 24 CYS C 1 1 18 9157 1 1 25 CYS CA C 0.210 10.267 -19.560 1.00 . A A . 24 CYS CA 1 1 18 9158 1 1 25 CYS CB C 0.492 11.417 -18.553 1.00 . A A . 24 CYS CB 1 1 18 9159 1 1 25 CYS H H 0.178 8.880 -17.982 1.00 . A A . 24 CYS H 1 1 18 9160 1 1 25 CYS HA H -0.572 10.648 -20.234 1.00 . A A . 24 CYS HA 1 1 18 9161 1 1 25 CYS HB2 H 0.903 12.295 -19.075 1.00 . A A . 24 CYS HB2 1 1 18 9162 1 1 25 CYS HB3 H -0.444 11.707 -18.052 1.00 . A A . 24 CYS HB3 1 1 18 9163 1 1 25 CYS N N -0.250 9.082 -18.859 1.00 . A A . 24 CYS N 1 1 18 9164 1 1 25 CYS O O 1.746 10.656 -21.281 1.00 . A A . 24 CYS O 1 1 18 9165 1 1 25 CYS SG S 1.654 10.943 -17.242 1.00 . A A . 24 CYS SG 1 1 18 9166 1 1 26 GLY C C 4.533 8.941 -20.201 1.00 . A A . 25 GLY C 1 1 18 9167 1 1 26 GLY CA C 3.293 8.413 -20.881 1.00 . A A . 25 GLY CA 1 1 18 9168 1 1 26 GLY H H 1.874 8.118 -19.381 1.00 . A A . 25 GLY H 1 1 18 9169 1 1 26 GLY HA2 H 3.376 7.320 -20.977 1.00 . A A . 25 GLY HA2 1 1 18 9170 1 1 26 GLY HA3 H 3.244 8.823 -21.901 1.00 . A A . 25 GLY HA3 1 1 18 9171 1 1 26 GLY N N 2.097 8.750 -20.123 1.00 . A A . 25 GLY N 1 1 18 9172 1 1 26 GLY O O 5.621 8.509 -20.551 1.00 . A A . 25 GLY O 1 1 18 9173 1 1 27 ALA C C 6.240 9.623 -17.683 1.00 . A A . 26 ALA C 1 1 18 9174 1 1 27 ALA CA C 5.575 10.532 -18.683 1.00 . A A . 26 ALA CA 1 1 18 9175 1 1 27 ALA CB C 5.212 11.874 -17.998 1.00 . A A . 26 ALA CB 1 1 18 9176 1 1 27 ALA H H 3.519 10.188 -18.915 1.00 . A A . 26 ALA H 1 1 18 9177 1 1 27 ALA HA H 6.262 10.756 -19.516 1.00 . A A . 26 ALA HA 1 1 18 9178 1 1 27 ALA HB1 H 4.360 12.361 -18.495 1.00 . A A . 26 ALA HB1 1 1 18 9179 1 1 27 ALA HB2 H 4.947 11.697 -16.944 1.00 . A A . 26 ALA HB2 1 1 18 9180 1 1 27 ALA HB3 H 6.072 12.558 -18.049 1.00 . A A . 26 ALA HB3 1 1 18 9181 1 1 27 ALA N N 4.403 9.887 -19.247 1.00 . A A . 26 ALA N 1 1 18 9182 1 1 27 ALA O O 5.575 8.790 -17.087 1.00 . A A . 26 ALA O 1 1 18 9183 1 1 28 ASP C C 7.939 9.229 -15.152 1.00 . A A . 27 ASP C 1 1 18 9184 1 1 28 ASP CA C 8.259 8.873 -16.583 1.00 . A A . 27 ASP CA 1 1 18 9185 1 1 28 ASP CB C 9.783 8.848 -16.856 1.00 . A A . 27 ASP CB 1 1 18 9186 1 1 28 ASP CG C 10.369 7.496 -16.557 1.00 . A A . 27 ASP CG 1 1 18 9187 1 1 28 ASP H H 8.083 10.477 -17.970 1.00 . A A . 27 ASP H 1 1 18 9188 1 1 28 ASP HA H 7.896 7.865 -16.786 1.00 . A A . 27 ASP HA 1 1 18 9189 1 1 28 ASP HB2 H 9.973 9.044 -17.921 1.00 . A A . 27 ASP HB2 1 1 18 9190 1 1 28 ASP HB3 H 10.289 9.626 -16.266 1.00 . A A . 27 ASP HB3 1 1 18 9191 1 1 28 ASP N N 7.564 9.771 -17.492 1.00 . A A . 27 ASP N 1 1 18 9192 1 1 28 ASP O O 7.635 10.380 -14.878 1.00 . A A . 27 ASP O 1 1 18 9193 1 1 28 ASP OD1 O 10.550 7.189 -15.348 1.00 . A A . 27 ASP OD1 1 1 18 9194 1 1 28 ASP OD2 O 10.653 6.748 -17.534 1.00 . A A . 27 ASP OD2 1 1 18 9195 1 1 29 LYS C C 8.819 9.609 -12.333 1.00 . A A . 28 LYS C 1 1 18 9196 1 1 29 LYS CA C 7.833 8.567 -12.811 1.00 . A A . 28 LYS CA 1 1 18 9197 1 1 29 LYS CB C 8.019 7.310 -11.924 1.00 . A A . 28 LYS CB 1 1 18 9198 1 1 29 LYS CD C 10.122 6.203 -10.931 1.00 . A A . 28 LYS CD 1 1 18 9199 1 1 29 LYS CE C 9.393 5.105 -10.124 1.00 . A A . 28 LYS CE 1 1 18 9200 1 1 29 LYS CG C 9.356 6.579 -12.213 1.00 . A A . 28 LYS CG 1 1 18 9201 1 1 29 LYS H H 8.274 7.323 -14.491 1.00 . A A . 28 LYS H 1 1 18 9202 1 1 29 LYS HA H 6.812 8.955 -12.659 1.00 . A A . 28 LYS HA 1 1 18 9203 1 1 29 LYS HB2 H 7.934 7.613 -10.869 1.00 . A A . 28 LYS HB2 1 1 18 9204 1 1 29 LYS HB3 H 7.210 6.603 -12.137 1.00 . A A . 28 LYS HB3 1 1 18 9205 1 1 29 LYS HD2 H 11.110 5.831 -11.246 1.00 . A A . 28 LYS HD2 1 1 18 9206 1 1 29 LYS HD3 H 10.275 7.095 -10.303 1.00 . A A . 28 LYS HD3 1 1 18 9207 1 1 29 LYS HE2 H 8.545 5.538 -9.572 1.00 . A A . 28 LYS HE2 1 1 18 9208 1 1 29 LYS HE3 H 9.011 4.311 -10.789 1.00 . A A . 28 LYS HE3 1 1 18 9209 1 1 29 LYS HG2 H 9.173 5.676 -12.817 1.00 . A A . 28 LYS HG2 1 1 18 9210 1 1 29 LYS HG3 H 10.046 7.220 -12.773 1.00 . A A . 28 LYS HG3 1 1 18 9211 1 1 29 LYS HZ1 H 11.043 3.909 -9.781 1.00 . A A . 28 LYS HZ1 1 1 18 9212 1 1 29 LYS HZ2 H 9.840 3.964 -8.433 1.00 . A A . 28 LYS HZ2 1 1 18 9213 1 1 29 LYS HZ3 H 10.971 5.265 -8.692 1.00 . A A . 28 LYS HZ3 1 1 18 9214 1 1 29 LYS N N 8.025 8.254 -14.224 1.00 . A A . 28 LYS N 1 1 18 9215 1 1 29 LYS NZ N 10.371 4.518 -9.192 1.00 . A A . 28 LYS NZ 1 1 18 9216 1 1 29 LYS O O 8.547 10.248 -11.330 1.00 . A A . 28 LYS O 1 1 18 9217 1 1 30 PHE C C 10.742 12.035 -13.514 1.00 . A A . 29 PHE C 1 1 18 9218 1 1 30 PHE CA C 10.932 10.809 -12.650 1.00 . A A . 29 PHE CA 1 1 18 9219 1 1 30 PHE CB C 12.367 10.214 -12.786 1.00 . A A . 29 PHE CB 1 1 18 9220 1 1 30 PHE CD1 C 13.499 11.421 -10.869 1.00 . A A . 29 PHE CD1 1 1 18 9221 1 1 30 PHE CD2 C 13.381 9.009 -10.784 1.00 . A A . 29 PHE CD2 1 1 18 9222 1 1 30 PHE CE1 C 14.193 11.430 -9.658 1.00 . A A . 29 PHE CE1 1 1 18 9223 1 1 30 PHE CE2 C 14.085 9.018 -9.578 1.00 . A A . 29 PHE CE2 1 1 18 9224 1 1 30 PHE CG C 13.100 10.211 -11.441 1.00 . A A . 29 PHE CG 1 1 18 9225 1 1 30 PHE CZ C 14.491 10.228 -9.015 1.00 . A A . 29 PHE CZ 1 1 18 9226 1 1 30 PHE H H 10.155 9.280 -13.868 1.00 . A A . 29 PHE H 1 1 18 9227 1 1 30 PHE HA H 10.784 11.129 -11.608 1.00 . A A . 29 PHE HA 1 1 18 9228 1 1 30 PHE HB2 H 12.327 9.181 -13.157 1.00 . A A . 29 PHE HB2 1 1 18 9229 1 1 30 PHE HB3 H 12.983 10.776 -13.502 1.00 . A A . 29 PHE HB3 1 1 18 9230 1 1 30 PHE HD1 H 13.272 12.359 -11.367 1.00 . A A . 29 PHE HD1 1 1 18 9231 1 1 30 PHE HD2 H 13.059 8.061 -11.202 1.00 . A A . 29 PHE HD2 1 1 18 9232 1 1 30 PHE HE1 H 14.502 12.373 -9.217 1.00 . A A . 29 PHE HE1 1 1 18 9233 1 1 30 PHE HE2 H 14.317 8.082 -9.080 1.00 . A A . 29 PHE HE2 1 1 18 9234 1 1 30 PHE HZ H 15.040 10.234 -8.078 1.00 . A A . 29 PHE HZ 1 1 18 9235 1 1 30 PHE N N 9.960 9.793 -13.035 1.00 . A A . 29 PHE N 1 1 18 9236 1 1 30 PHE O O 11.689 12.791 -13.662 1.00 . A A . 29 PHE O 1 1 18 9237 1 1 31 ASP C C 7.958 13.946 -14.863 1.00 . A A . 30 ASP C 1 1 18 9238 1 1 31 ASP CA C 9.380 13.440 -14.956 1.00 . A A . 30 ASP CA 1 1 18 9239 1 1 31 ASP CB C 9.837 13.095 -16.397 1.00 . A A . 30 ASP CB 1 1 18 9240 1 1 31 ASP CG C 10.009 14.336 -17.229 1.00 . A A . 30 ASP CG 1 1 18 9241 1 1 31 ASP H H 8.755 11.663 -13.994 1.00 . A A . 30 ASP H 1 1 18 9242 1 1 31 ASP HA H 10.016 14.258 -14.584 1.00 . A A . 30 ASP HA 1 1 18 9243 1 1 31 ASP HB2 H 10.810 12.582 -16.348 1.00 . A A . 30 ASP HB2 1 1 18 9244 1 1 31 ASP HB3 H 9.132 12.416 -16.894 1.00 . A A . 30 ASP HB3 1 1 18 9245 1 1 31 ASP N N 9.543 12.271 -14.098 1.00 . A A . 30 ASP N 1 1 18 9246 1 1 31 ASP O O 7.742 15.003 -14.292 1.00 . A A . 30 ASP O 1 1 18 9247 1 1 31 ASP OD1 O 10.800 15.226 -16.819 1.00 . A A . 30 ASP OD1 1 1 18 9248 1 1 31 ASP OD2 O 9.362 14.425 -18.307 1.00 . A A . 30 ASP OD2 1 1 18 9249 1 1 32 NH2 HN1 H 7.101 12.330 -15.794 1.00 . A A . 31 NH2 HN1 1 1 18 9250 1 1 32 NH2 HN2 H 6.017 13.592 -15.329 1.00 . A A . 31 NH2 HN2 1 1 18 9251 1 1 32 NH2 N N 6.945 13.227 -15.383 1.00 . A A . 31 NH2 N 1 1 18 9252 2 2 1 ZN ZN ZN 1.141 9.772 -15.240 1.00 . B A . 32 ZN ZN 1 1 19 9253 1 1 1 ACE C C -1.482 -1.255 -3.948 1.00 . A A . 0 ACE C 1 1 19 9254 1 1 1 ACE CH3 C -2.042 -0.152 -4.800 1.00 . A A . 0 ACE CH3 1 1 19 9255 1 1 1 ACE H1 H -2.231 -0.532 -5.815 1.00 . A A . 0 ACE H1 1 1 19 9256 1 1 1 ACE H2 H -1.329 0.683 -4.848 1.00 . A A . 0 ACE H2 1 1 19 9257 1 1 1 ACE H3 H -2.990 0.212 -4.374 1.00 . A A . 0 ACE H3 1 1 19 9258 1 1 1 ACE O O -2.121 -1.611 -2.970 1.00 . A A . 0 ACE O 1 1 19 9259 1 1 2 LYS C C 1.560 -2.431 -2.920 1.00 . A A . 1 LYS C 1 1 19 9260 1 1 2 LYS CA C 0.278 -2.905 -3.562 1.00 . A A . 1 LYS CA 1 1 19 9261 1 1 2 LYS CB C 0.517 -4.102 -4.530 1.00 . A A . 1 LYS CB 1 1 19 9262 1 1 2 LYS CD C 1.404 -6.525 -4.114 1.00 . A A . 1 LYS CD 1 1 19 9263 1 1 2 LYS CE C 1.427 -7.639 -3.022 1.00 . A A . 1 LYS CE 1 1 19 9264 1 1 2 LYS CG C 0.282 -5.482 -3.840 1.00 . A A . 1 LYS CG 1 1 19 9265 1 1 2 LYS H H 0.226 -1.464 -5.101 1.00 . A A . 1 LYS H 1 1 19 9266 1 1 2 LYS HA H -0.399 -3.192 -2.745 1.00 . A A . 1 LYS HA 1 1 19 9267 1 1 2 LYS HB2 H -0.185 -4.023 -5.376 1.00 . A A . 1 LYS HB2 1 1 19 9268 1 1 2 LYS HB3 H 1.532 -4.014 -4.947 1.00 . A A . 1 LYS HB3 1 1 19 9269 1 1 2 LYS HD2 H 1.222 -6.968 -5.105 1.00 . A A . 1 LYS HD2 1 1 19 9270 1 1 2 LYS HD3 H 2.396 -6.050 -4.152 1.00 . A A . 1 LYS HD3 1 1 19 9271 1 1 2 LYS HE2 H 0.549 -7.567 -2.361 1.00 . A A . 1 LYS HE2 1 1 19 9272 1 1 2 LYS HE3 H 1.379 -8.626 -3.507 1.00 . A A . 1 LYS HE3 1 1 19 9273 1 1 2 LYS HG2 H 0.187 -5.351 -2.753 1.00 . A A . 1 LYS HG2 1 1 19 9274 1 1 2 LYS HG3 H -0.676 -5.900 -4.188 1.00 . A A . 1 LYS HG3 1 1 19 9275 1 1 2 LYS HZ1 H 3.480 -8.068 -2.688 1.00 . A A . 1 LYS HZ1 1 1 19 9276 1 1 2 LYS HZ2 H 2.500 -8.106 -1.243 1.00 . A A . 1 LYS HZ2 1 1 19 9277 1 1 2 LYS HZ3 H 2.960 -6.600 -1.920 1.00 . A A . 1 LYS HZ3 1 1 19 9278 1 1 2 LYS N N -0.300 -1.800 -4.315 1.00 . A A . 1 LYS N 1 1 19 9279 1 1 2 LYS NZ N 2.648 -7.595 -2.184 1.00 . A A . 1 LYS NZ 1 1 19 9280 1 1 2 LYS O O 1.808 -1.236 -2.888 1.00 . A A . 1 LYS O 1 1 19 9281 1 1 3 PHE C C 4.758 -2.907 -2.828 1.00 . A A . 2 PHE C 1 1 19 9282 1 1 3 PHE CA C 3.662 -2.972 -1.790 1.00 . A A . 2 PHE CA 1 1 19 9283 1 1 3 PHE CB C 3.973 -4.034 -0.695 1.00 . A A . 2 PHE CB 1 1 19 9284 1 1 3 PHE CD1 C 4.104 -2.539 1.324 1.00 . A A . 2 PHE CD1 1 1 19 9285 1 1 3 PHE CD2 C 6.085 -3.788 0.715 1.00 . A A . 2 PHE CD2 1 1 19 9286 1 1 3 PHE CE1 C 4.784 -1.981 2.407 1.00 . A A . 2 PHE CE1 1 1 19 9287 1 1 3 PHE CE2 C 6.759 -3.243 1.810 1.00 . A A . 2 PHE CE2 1 1 19 9288 1 1 3 PHE CG C 4.754 -3.439 0.475 1.00 . A A . 2 PHE CG 1 1 19 9289 1 1 3 PHE CZ C 6.112 -2.337 2.652 1.00 . A A . 2 PHE CZ 1 1 19 9290 1 1 3 PHE H H 2.208 -4.321 -2.472 1.00 . A A . 2 PHE H 1 1 19 9291 1 1 3 PHE HA H 3.570 -1.984 -1.317 1.00 . A A . 2 PHE HA 1 1 19 9292 1 1 3 PHE HB2 H 3.036 -4.405 -0.252 1.00 . A A . 2 PHE HB2 1 1 19 9293 1 1 3 PHE HB3 H 4.501 -4.901 -1.124 1.00 . A A . 2 PHE HB3 1 1 19 9294 1 1 3 PHE HD1 H 3.068 -2.272 1.149 1.00 . A A . 2 PHE HD1 1 1 19 9295 1 1 3 PHE HD2 H 6.601 -4.483 0.061 1.00 . A A . 2 PHE HD2 1 1 19 9296 1 1 3 PHE HE1 H 4.279 -1.274 3.056 1.00 . A A . 2 PHE HE1 1 1 19 9297 1 1 3 PHE HE2 H 7.788 -3.523 2.006 1.00 . A A . 2 PHE HE2 1 1 19 9298 1 1 3 PHE HZ H 6.638 -1.908 3.497 1.00 . A A . 2 PHE HZ 1 1 19 9299 1 1 3 PHE N N 2.403 -3.354 -2.412 1.00 . A A . 2 PHE N 1 1 19 9300 1 1 3 PHE O O 5.871 -3.299 -2.514 1.00 . A A . 2 PHE O 1 1 19 9301 1 1 4 GLU C C 5.025 -1.559 -6.246 1.00 . A A . 3 GLU C 1 1 19 9302 1 1 4 GLU CA C 5.514 -2.408 -5.090 1.00 . A A . 3 GLU CA 1 1 19 9303 1 1 4 GLU CB C 5.860 -3.863 -5.518 1.00 . A A . 3 GLU CB 1 1 19 9304 1 1 4 GLU CD C 8.060 -4.993 -6.296 1.00 . A A . 3 GLU CD 1 1 19 9305 1 1 4 GLU CG C 7.047 -3.904 -6.514 1.00 . A A . 3 GLU CG 1 1 19 9306 1 1 4 GLU H H 3.576 -2.080 -4.327 1.00 . A A . 3 GLU H 1 1 19 9307 1 1 4 GLU HA H 6.409 -1.922 -4.668 1.00 . A A . 3 GLU HA 1 1 19 9308 1 1 4 GLU HB2 H 6.152 -4.440 -4.632 1.00 . A A . 3 GLU HB2 1 1 19 9309 1 1 4 GLU HB3 H 4.972 -4.345 -5.958 1.00 . A A . 3 GLU HB3 1 1 19 9310 1 1 4 GLU HG2 H 6.662 -4.003 -7.541 1.00 . A A . 3 GLU HG2 1 1 19 9311 1 1 4 GLU HG3 H 7.626 -2.978 -6.403 1.00 . A A . 3 GLU HG3 1 1 19 9312 1 1 4 GLU N N 4.481 -2.426 -4.063 1.00 . A A . 3 GLU N 1 1 19 9313 1 1 4 GLU O O 4.841 -2.054 -7.347 1.00 . A A . 3 GLU O 1 1 19 9314 1 1 4 GLU OE1 O 7.699 -6.077 -5.768 1.00 . A A . 3 GLU OE1 1 1 19 9315 1 1 4 GLU OE2 O 9.243 -4.753 -6.667 1.00 . A A . 3 GLU OE2 1 1 19 9316 1 1 5 ASP C C 4.531 2.034 -6.756 1.00 . A A . 4 ASP C 1 1 19 9317 1 1 5 ASP CA C 4.196 0.588 -7.036 1.00 . A A . 4 ASP CA 1 1 19 9318 1 1 5 ASP CB C 2.662 0.398 -7.006 1.00 . A A . 4 ASP CB 1 1 19 9319 1 1 5 ASP CG C 2.178 -1.025 -6.903 1.00 . A A . 4 ASP CG 1 1 19 9320 1 1 5 ASP H H 4.920 0.149 -5.092 1.00 . A A . 4 ASP H 1 1 19 9321 1 1 5 ASP HA H 4.601 0.354 -8.025 1.00 . A A . 4 ASP HA 1 1 19 9322 1 1 5 ASP HB2 H 2.334 0.912 -6.094 1.00 . A A . 4 ASP HB2 1 1 19 9323 1 1 5 ASP HB3 H 2.197 0.868 -7.885 1.00 . A A . 4 ASP HB3 1 1 19 9324 1 1 5 ASP N N 4.785 -0.252 -6.000 1.00 . A A . 4 ASP N 1 1 19 9325 1 1 5 ASP O O 5.223 2.283 -5.782 1.00 . A A . 4 ASP O 1 1 19 9326 1 1 5 ASP OD1 O 2.189 -1.576 -5.766 1.00 . A A . 4 ASP OD1 1 1 19 9327 1 1 5 ASP OD2 O 1.747 -1.597 -7.938 1.00 . A A . 4 ASP OD2 1 1 19 9328 1 1 6 TRP C C 3.301 5.269 -7.934 1.00 . A A . 5 TRP C 1 1 19 9329 1 1 6 TRP CA C 4.360 4.400 -7.312 1.00 . A A . 5 TRP CA 1 1 19 9330 1 1 6 TRP CB C 5.742 4.765 -7.894 1.00 . A A . 5 TRP CB 1 1 19 9331 1 1 6 TRP CD1 C 6.285 3.120 -9.741 1.00 . A A . 5 TRP CD1 1 1 19 9332 1 1 6 TRP CD2 C 5.457 5.081 -10.555 1.00 . A A . 5 TRP CD2 1 1 19 9333 1 1 6 TRP CE2 C 5.785 4.212 -11.576 1.00 . A A . 5 TRP CE2 1 1 19 9334 1 1 6 TRP CE3 C 4.923 6.348 -10.792 1.00 . A A . 5 TRP CE3 1 1 19 9335 1 1 6 TRP CG C 5.835 4.311 -9.324 1.00 . A A . 5 TRP CG 1 1 19 9336 1 1 6 TRP CH2 C 5.191 5.863 -13.165 1.00 . A A . 5 TRP CH2 1 1 19 9337 1 1 6 TRP CZ2 C 5.649 4.566 -12.914 1.00 . A A . 5 TRP CZ2 1 1 19 9338 1 1 6 TRP CZ3 C 4.786 6.715 -12.131 1.00 . A A . 5 TRP CZ3 1 1 19 9339 1 1 6 TRP H H 3.536 2.783 -8.410 1.00 . A A . 5 TRP H 1 1 19 9340 1 1 6 TRP HA H 4.347 4.596 -6.229 1.00 . A A . 5 TRP HA 1 1 19 9341 1 1 6 TRP HB2 H 5.937 5.846 -7.841 1.00 . A A . 5 TRP HB2 1 1 19 9342 1 1 6 TRP HB3 H 6.513 4.244 -7.306 1.00 . A A . 5 TRP HB3 1 1 19 9343 1 1 6 TRP HD1 H 6.608 2.382 -9.020 1.00 . A A . 5 TRP HD1 1 1 19 9344 1 1 6 TRP HE1 H 6.529 2.244 -11.613 1.00 . A A . 5 TRP HE1 1 1 19 9345 1 1 6 TRP HE3 H 4.650 7.001 -9.977 1.00 . A A . 5 TRP HE3 1 1 19 9346 1 1 6 TRP HH2 H 5.169 6.240 -14.170 1.00 . A A . 5 TRP HH2 1 1 19 9347 1 1 6 TRP HZ2 H 5.894 3.888 -13.721 1.00 . A A . 5 TRP HZ2 1 1 19 9348 1 1 6 TRP HZ3 H 4.380 7.675 -12.400 1.00 . A A . 5 TRP HZ3 1 1 19 9349 1 1 6 TRP N N 4.062 2.997 -7.581 1.00 . A A . 5 TRP N 1 1 19 9350 1 1 6 TRP NE1 N 6.244 3.059 -11.048 1.00 . A A . 5 TRP NE1 1 1 19 9351 1 1 6 TRP O O 2.549 4.750 -8.743 1.00 . A A . 5 TRP O 1 1 19 9352 1 1 7 LEU C C 2.790 8.487 -8.950 1.00 . A A . 6 LEU C 1 1 19 9353 1 1 7 LEU CA C 2.194 7.451 -8.047 1.00 . A A . 6 LEU CA 1 1 19 9354 1 1 7 LEU CB C 1.396 8.188 -6.947 1.00 . A A . 6 LEU CB 1 1 19 9355 1 1 7 LEU CD1 C 1.750 6.921 -4.723 1.00 . A A . 6 LEU CD1 1 1 19 9356 1 1 7 LEU CD2 C -0.571 7.739 -5.415 1.00 . A A . 6 LEU CD2 1 1 19 9357 1 1 7 LEU CG C 0.791 7.194 -5.917 1.00 . A A . 6 LEU CG 1 1 19 9358 1 1 7 LEU H H 3.928 6.972 -6.951 1.00 . A A . 6 LEU H 1 1 19 9359 1 1 7 LEU HA H 1.462 6.882 -8.619 1.00 . A A . 6 LEU HA 1 1 19 9360 1 1 7 LEU HB2 H 2.028 8.934 -6.441 1.00 . A A . 6 LEU HB2 1 1 19 9361 1 1 7 LEU HB3 H 0.590 8.729 -7.468 1.00 . A A . 6 LEU HB3 1 1 19 9362 1 1 7 LEU HD11 H 2.786 7.217 -4.935 1.00 . A A . 6 LEU HD11 1 1 19 9363 1 1 7 LEU HD12 H 1.748 5.846 -4.486 1.00 . A A . 6 LEU HD12 1 1 19 9364 1 1 7 LEU HD13 H 1.429 7.475 -3.828 1.00 . A A . 6 LEU HD13 1 1 19 9365 1 1 7 LEU HD21 H -0.479 8.805 -5.153 1.00 . A A . 6 LEU HD21 1 1 19 9366 1 1 7 LEU HD22 H -0.915 7.180 -4.533 1.00 . A A . 6 LEU HD22 1 1 19 9367 1 1 7 LEU HD23 H -1.326 7.633 -6.210 1.00 . A A . 6 LEU HD23 1 1 19 9368 1 1 7 LEU HG H 0.588 6.237 -6.423 1.00 . A A . 6 LEU HG 1 1 19 9369 1 1 7 LEU N N 3.242 6.568 -7.554 1.00 . A A . 6 LEU N 1 1 19 9370 1 1 7 LEU O O 3.801 9.069 -8.588 1.00 . A A . 6 LEU O 1 1 19 9371 1 1 8 CYS C C 2.624 11.085 -10.507 1.00 . A A . 7 CYS C 1 1 19 9372 1 1 8 CYS CA C 2.785 9.682 -11.033 1.00 . A A . 7 CYS CA 1 1 19 9373 1 1 8 CYS CB C 2.111 9.523 -12.411 1.00 . A A . 7 CYS CB 1 1 19 9374 1 1 8 CYS H H 1.354 8.240 -10.422 1.00 . A A . 7 CYS H 1 1 19 9375 1 1 8 CYS HA H 3.859 9.469 -11.120 1.00 . A A . 7 CYS HA 1 1 19 9376 1 1 8 CYS HB2 H 2.175 8.485 -12.767 1.00 . A A . 7 CYS HB2 1 1 19 9377 1 1 8 CYS HB3 H 1.059 9.814 -12.346 1.00 . A A . 7 CYS HB3 1 1 19 9378 1 1 8 CYS N N 2.191 8.716 -10.132 1.00 . A A . 7 CYS N 1 1 19 9379 1 1 8 CYS O O 1.656 11.354 -9.815 1.00 . A A . 7 CYS O 1 1 19 9380 1 1 8 CYS SG S 2.903 10.614 -13.608 1.00 . A A . 7 CYS SG 1 1 19 9381 1 1 9 ASN C C 2.890 14.251 -11.504 1.00 . A A . 8 ASN C 1 1 19 9382 1 1 9 ASN CA C 3.493 13.384 -10.421 1.00 . A A . 8 ASN CA 1 1 19 9383 1 1 9 ASN CB C 4.908 13.865 -9.997 1.00 . A A . 8 ASN CB 1 1 19 9384 1 1 9 ASN CG C 5.950 13.523 -11.034 1.00 . A A . 8 ASN CG 1 1 19 9385 1 1 9 ASN H H 4.301 11.730 -11.482 1.00 . A A . 8 ASN H 1 1 19 9386 1 1 9 ASN HA H 2.844 13.489 -9.538 1.00 . A A . 8 ASN HA 1 1 19 9387 1 1 9 ASN HB2 H 4.918 14.950 -9.816 1.00 . A A . 8 ASN HB2 1 1 19 9388 1 1 9 ASN HB3 H 5.157 13.357 -9.053 1.00 . A A . 8 ASN HB3 1 1 19 9389 1 1 9 ASN HD21 H 7.485 13.313 -9.681 1.00 . A A . 8 ASN HD21 1 1 19 9390 1 1 9 ASN HD22 H 7.889 13.000 -11.333 1.00 . A A . 8 ASN HD22 1 1 19 9391 1 1 9 ASN N N 3.567 11.989 -10.853 1.00 . A A . 8 ASN N 1 1 19 9392 1 1 9 ASN ND2 N 7.215 13.267 -10.642 1.00 . A A . 8 ASN ND2 1 1 19 9393 1 1 9 ASN O O 3.237 15.417 -11.601 1.00 . A A . 8 ASN O 1 1 19 9394 1 1 9 ASN OD1 O 5.623 13.463 -12.207 1.00 . A A . 8 ASN OD1 1 1 19 9395 1 1 10 LYS C C -0.094 14.081 -13.536 1.00 . A A . 9 LYS C 1 1 19 9396 1 1 10 LYS CA C 1.367 14.452 -13.415 1.00 . A A . 9 LYS CA 1 1 19 9397 1 1 10 LYS CB C 2.194 14.151 -14.693 1.00 . A A . 9 LYS CB 1 1 19 9398 1 1 10 LYS CD C 1.134 15.625 -16.552 1.00 . A A . 9 LYS CD 1 1 19 9399 1 1 10 LYS CE C 1.619 16.076 -17.954 1.00 . A A . 9 LYS CE 1 1 19 9400 1 1 10 LYS CG C 2.364 15.365 -15.641 1.00 . A A . 9 LYS CG 1 1 19 9401 1 1 10 LYS H H 1.747 12.734 -12.237 1.00 . A A . 9 LYS H 1 1 19 9402 1 1 10 LYS HA H 1.403 15.526 -13.182 1.00 . A A . 9 LYS HA 1 1 19 9403 1 1 10 LYS HB2 H 3.206 13.869 -14.363 1.00 . A A . 9 LYS HB2 1 1 19 9404 1 1 10 LYS HB3 H 1.791 13.294 -15.251 1.00 . A A . 9 LYS HB3 1 1 19 9405 1 1 10 LYS HD2 H 0.536 14.710 -16.681 1.00 . A A . 9 LYS HD2 1 1 19 9406 1 1 10 LYS HD3 H 0.490 16.396 -16.100 1.00 . A A . 9 LYS HD3 1 1 19 9407 1 1 10 LYS HE2 H 2.298 16.939 -17.854 1.00 . A A . 9 LYS HE2 1 1 19 9408 1 1 10 LYS HE3 H 2.172 15.244 -18.421 1.00 . A A . 9 LYS HE3 1 1 19 9409 1 1 10 LYS HG2 H 2.612 16.279 -15.077 1.00 . A A . 9 LYS HG2 1 1 19 9410 1 1 10 LYS HG3 H 3.234 15.129 -16.271 1.00 . A A . 9 LYS HG3 1 1 19 9411 1 1 10 LYS HZ1 H -0.260 15.670 -18.854 1.00 . A A . 9 LYS HZ1 1 1 19 9412 1 1 10 LYS HZ2 H 0.854 16.569 -19.852 1.00 . A A . 9 LYS HZ2 1 1 19 9413 1 1 10 LYS HZ3 H 0.044 17.369 -18.521 1.00 . A A . 9 LYS HZ3 1 1 19 9414 1 1 10 LYS N N 1.971 13.695 -12.323 1.00 . A A . 9 LYS N 1 1 19 9415 1 1 10 LYS NZ N 0.496 16.441 -18.839 1.00 . A A . 9 LYS NZ 1 1 19 9416 1 1 10 LYS O O -0.932 14.956 -13.400 1.00 . A A . 9 LYS O 1 1 19 9417 1 1 11 CYS C C -2.205 11.747 -12.424 1.00 . A A . 10 CYS C 1 1 19 9418 1 1 11 CYS CA C -1.822 12.365 -13.750 1.00 . A A . 10 CYS CA 1 1 19 9419 1 1 11 CYS CB C -2.083 11.345 -14.878 1.00 . A A . 10 CYS CB 1 1 19 9420 1 1 11 CYS H H 0.281 12.102 -13.896 1.00 . A A . 10 CYS H 1 1 19 9421 1 1 11 CYS HA H -2.503 13.206 -13.944 1.00 . A A . 10 CYS HA 1 1 19 9422 1 1 11 CYS HB2 H -3.117 10.972 -14.861 1.00 . A A . 10 CYS HB2 1 1 19 9423 1 1 11 CYS HB3 H -1.895 11.824 -15.846 1.00 . A A . 10 CYS HB3 1 1 19 9424 1 1 11 CYS N N -0.424 12.793 -13.768 1.00 . A A . 10 CYS N 1 1 19 9425 1 1 11 CYS O O -3.354 11.362 -12.288 1.00 . A A . 10 CYS O 1 1 19 9426 1 1 11 CYS SG S -0.953 9.953 -14.647 1.00 . A A . 10 CYS SG 1 1 19 9427 1 1 12 CYS C C -2.087 9.654 -10.206 1.00 . A A . 11 CYS C 1 1 19 9428 1 1 12 CYS CA C -1.676 11.102 -10.130 1.00 . A A . 11 CYS CA 1 1 19 9429 1 1 12 CYS CB C -2.762 11.994 -9.477 1.00 . A A . 11 CYS CB 1 1 19 9430 1 1 12 CYS H H -0.342 11.914 -11.531 1.00 . A A . 11 CYS H 1 1 19 9431 1 1 12 CYS HA H -0.806 11.138 -9.455 1.00 . A A . 11 CYS HA 1 1 19 9432 1 1 12 CYS HB2 H -3.743 11.855 -9.952 1.00 . A A . 11 CYS HB2 1 1 19 9433 1 1 12 CYS HB3 H -2.861 11.743 -8.410 1.00 . A A . 11 CYS HB3 1 1 19 9434 1 1 12 CYS HG H -2.202 13.818 -10.617 1.00 . A A . 11 CYS HG 1 1 19 9435 1 1 12 CYS N N -1.292 11.633 -11.432 1.00 . A A . 11 CYS N 1 1 19 9436 1 1 12 CYS O O -2.741 9.178 -9.293 1.00 . A A . 11 CYS O 1 1 19 9437 1 1 12 CYS SG S -2.259 13.744 -9.614 1.00 . A A . 11 CYS SG 1 1 19 9438 1 1 13 LEU C C -1.100 6.647 -10.816 1.00 . A A . 12 LEU C 1 1 19 9439 1 1 13 LEU CA C -2.134 7.555 -11.440 1.00 . A A . 12 LEU CA 1 1 19 9440 1 1 13 LEU CB C -2.345 7.257 -12.945 1.00 . A A . 12 LEU CB 1 1 19 9441 1 1 13 LEU CD1 C -2.069 4.683 -13.215 1.00 . A A . 12 LEU CD1 1 1 19 9442 1 1 13 LEU CD2 C -4.354 5.645 -12.520 1.00 . A A . 12 LEU CD2 1 1 19 9443 1 1 13 LEU CG C -3.029 5.901 -13.282 1.00 . A A . 12 LEU CG 1 1 19 9444 1 1 13 LEU H H -1.145 9.318 -12.006 1.00 . A A . 12 LEU H 1 1 19 9445 1 1 13 LEU HA H -3.119 7.463 -10.965 1.00 . A A . 12 LEU HA 1 1 19 9446 1 1 13 LEU HB2 H -2.999 8.062 -13.312 1.00 . A A . 12 LEU HB2 1 1 19 9447 1 1 13 LEU HB3 H -1.385 7.323 -13.479 1.00 . A A . 12 LEU HB3 1 1 19 9448 1 1 13 LEU HD11 H -2.491 3.909 -12.564 1.00 . A A . 12 LEU HD11 1 1 19 9449 1 1 13 LEU HD12 H -1.086 4.963 -12.824 1.00 . A A . 12 LEU HD12 1 1 19 9450 1 1 13 LEU HD13 H -1.922 4.245 -14.214 1.00 . A A . 12 LEU HD13 1 1 19 9451 1 1 13 LEU HD21 H -4.964 6.560 -12.514 1.00 . A A . 12 LEU HD21 1 1 19 9452 1 1 13 LEU HD22 H -4.186 5.323 -11.486 1.00 . A A . 12 LEU HD22 1 1 19 9453 1 1 13 LEU HD23 H -4.918 4.849 -13.031 1.00 . A A . 12 LEU HD23 1 1 19 9454 1 1 13 LEU HG H -3.364 5.992 -14.321 1.00 . A A . 12 LEU HG 1 1 19 9455 1 1 13 LEU N N -1.711 8.936 -11.286 1.00 . A A . 12 LEU N 1 1 19 9456 1 1 13 LEU O O 0.087 6.861 -11.006 1.00 . A A . 12 LEU O 1 1 19 9457 1 1 14 ASN C C -0.215 3.616 -10.444 1.00 . A A . 13 ASN C 1 1 19 9458 1 1 14 ASN CA C -0.691 4.646 -9.447 1.00 . A A . 13 ASN CA 1 1 19 9459 1 1 14 ASN CB C -1.457 3.982 -8.279 1.00 . A A . 13 ASN CB 1 1 19 9460 1 1 14 ASN CG C -0.859 2.669 -7.871 1.00 . A A . 13 ASN CG 1 1 19 9461 1 1 14 ASN H H -2.548 5.533 -9.917 1.00 . A A . 13 ASN H 1 1 19 9462 1 1 14 ASN HA H 0.162 5.146 -8.996 1.00 . A A . 13 ASN HA 1 1 19 9463 1 1 14 ASN HB2 H -1.486 4.690 -7.434 1.00 . A A . 13 ASN HB2 1 1 19 9464 1 1 14 ASN HB3 H -2.496 3.743 -8.554 1.00 . A A . 13 ASN HB3 1 1 19 9465 1 1 14 ASN HD21 H 0.309 3.446 -6.355 1.00 . A A . 13 ASN HD21 1 1 19 9466 1 1 14 ASN HD22 H 0.283 1.725 -6.542 1.00 . A A . 13 ASN HD22 1 1 19 9467 1 1 14 ASN N N -1.571 5.633 -10.064 1.00 . A A . 13 ASN N 1 1 19 9468 1 1 14 ASN ND2 N -0.003 2.628 -6.838 1.00 . A A . 13 ASN ND2 1 1 19 9469 1 1 14 ASN O O -1.055 2.878 -10.926 1.00 . A A . 13 ASN O 1 1 19 9470 1 1 14 ASN OD1 O -1.180 1.654 -8.468 1.00 . A A . 13 ASN OD1 1 1 19 9471 1 1 15 ASN C C 2.477 1.575 -11.055 1.00 . A A . 14 ASN C 1 1 19 9472 1 1 15 ASN CA C 1.575 2.566 -11.741 1.00 . A A . 14 ASN CA 1 1 19 9473 1 1 15 ASN CB C 2.387 3.201 -12.890 1.00 . A A . 14 ASN CB 1 1 19 9474 1 1 15 ASN CG C 1.562 4.280 -13.529 1.00 . A A . 14 ASN CG 1 1 19 9475 1 1 15 ASN H H 1.792 4.106 -10.302 1.00 . A A . 14 ASN H 1 1 19 9476 1 1 15 ASN HA H 0.729 2.048 -12.216 1.00 . A A . 14 ASN HA 1 1 19 9477 1 1 15 ASN HB2 H 3.305 3.626 -12.472 1.00 . A A . 14 ASN HB2 1 1 19 9478 1 1 15 ASN HB3 H 2.661 2.440 -13.638 1.00 . A A . 14 ASN HB3 1 1 19 9479 1 1 15 ASN HD21 H 2.074 5.679 -12.107 1.00 . A A . 14 ASN HD21 1 1 19 9480 1 1 15 ASN HD22 H 0.903 6.181 -13.242 1.00 . A A . 14 ASN HD22 1 1 19 9481 1 1 15 ASN N N 1.101 3.539 -10.759 1.00 . A A . 14 ASN N 1 1 19 9482 1 1 15 ASN ND2 N 1.519 5.475 -12.909 1.00 . A A . 14 ASN ND2 1 1 19 9483 1 1 15 ASN O O 3.113 1.919 -10.070 1.00 . A A . 14 ASN O 1 1 19 9484 1 1 15 ASN OD1 O 0.956 4.040 -14.564 1.00 . A A . 14 ASN OD1 1 1 19 9485 1 1 16 PHE C C 4.782 -0.324 -10.916 1.00 . A A . 15 PHE C 1 1 19 9486 1 1 16 PHE CA C 3.319 -0.704 -10.938 1.00 . A A . 15 PHE CA 1 1 19 9487 1 1 16 PHE CB C 3.150 -2.097 -11.613 1.00 . A A . 15 PHE CB 1 1 19 9488 1 1 16 PHE CD1 C 1.343 -3.362 -10.355 1.00 . A A . 15 PHE CD1 1 1 19 9489 1 1 16 PHE CD2 C 3.642 -3.978 -9.962 1.00 . A A . 15 PHE CD2 1 1 19 9490 1 1 16 PHE CE1 C 0.924 -4.374 -9.489 1.00 . A A . 15 PHE CE1 1 1 19 9491 1 1 16 PHE CE2 C 3.226 -4.979 -9.083 1.00 . A A . 15 PHE CE2 1 1 19 9492 1 1 16 PHE CG C 2.704 -3.171 -10.613 1.00 . A A . 15 PHE CG 1 1 19 9493 1 1 16 PHE CZ C 1.865 -5.186 -8.852 1.00 . A A . 15 PHE CZ 1 1 19 9494 1 1 16 PHE H H 1.997 0.117 -12.402 1.00 . A A . 15 PHE H 1 1 19 9495 1 1 16 PHE HA H 2.961 -0.768 -9.902 1.00 . A A . 15 PHE HA 1 1 19 9496 1 1 16 PHE HB2 H 2.392 -2.088 -12.408 1.00 . A A . 15 PHE HB2 1 1 19 9497 1 1 16 PHE HB3 H 4.095 -2.398 -12.087 1.00 . A A . 15 PHE HB3 1 1 19 9498 1 1 16 PHE HD1 H 0.601 -2.724 -10.823 1.00 . A A . 15 PHE HD1 1 1 19 9499 1 1 16 PHE HD2 H 4.701 -3.839 -10.131 1.00 . A A . 15 PHE HD2 1 1 19 9500 1 1 16 PHE HE1 H -0.135 -4.529 -9.309 1.00 . A A . 15 PHE HE1 1 1 19 9501 1 1 16 PHE HE2 H 3.962 -5.596 -8.579 1.00 . A A . 15 PHE HE2 1 1 19 9502 1 1 16 PHE HZ H 1.540 -5.973 -8.180 1.00 . A A . 15 PHE HZ 1 1 19 9503 1 1 16 PHE N N 2.528 0.335 -11.585 1.00 . A A . 15 PHE N 1 1 19 9504 1 1 16 PHE O O 5.227 0.462 -11.738 1.00 . A A . 15 PHE O 1 1 19 9505 1 1 17 ARG C C 7.707 -1.091 -11.190 1.00 . A A . 16 ARG C 1 1 19 9506 1 1 17 ARG CA C 7.007 -0.581 -9.967 1.00 . A A . 16 ARG CA 1 1 19 9507 1 1 17 ARG CB C 7.744 -1.143 -8.730 1.00 . A A . 16 ARG CB 1 1 19 9508 1 1 17 ARG CD C 9.243 0.809 -8.107 1.00 . A A . 16 ARG CD 1 1 19 9509 1 1 17 ARG CG C 8.058 -0.076 -7.659 1.00 . A A . 16 ARG CG 1 1 19 9510 1 1 17 ARG CZ C 10.374 1.425 -6.021 1.00 . A A . 16 ARG CZ 1 1 19 9511 1 1 17 ARG H H 5.172 -1.527 -9.324 1.00 . A A . 16 ARG H 1 1 19 9512 1 1 17 ARG HA H 7.135 0.496 -10.029 1.00 . A A . 16 ARG HA 1 1 19 9513 1 1 17 ARG HB2 H 7.093 -1.888 -8.292 1.00 . A A . 16 ARG HB2 1 1 19 9514 1 1 17 ARG HB3 H 8.675 -1.659 -9.012 1.00 . A A . 16 ARG HB3 1 1 19 9515 1 1 17 ARG HD2 H 10.110 0.225 -8.450 1.00 . A A . 16 ARG HD2 1 1 19 9516 1 1 17 ARG HD3 H 8.950 1.432 -8.964 1.00 . A A . 16 ARG HD3 1 1 19 9517 1 1 17 ARG HE H 9.126 2.640 -7.054 1.00 . A A . 16 ARG HE 1 1 19 9518 1 1 17 ARG HG2 H 7.172 0.544 -7.451 1.00 . A A . 16 ARG HG2 1 1 19 9519 1 1 17 ARG HG3 H 8.327 -0.587 -6.724 1.00 . A A . 16 ARG HG3 1 1 19 9520 1 1 17 ARG HH11 H 10.703 -0.549 -6.455 1.00 . A A . 16 ARG HH11 1 1 19 9521 1 1 17 ARG HH12 H 11.530 0.063 -5.037 1.00 . A A . 16 ARG HH12 1 1 19 9522 1 1 17 ARG HH21 H 10.274 3.323 -5.265 1.00 . A A . 16 ARG HH21 1 1 19 9523 1 1 17 ARG HH22 H 11.285 2.198 -4.366 1.00 . A A . 16 ARG HH22 1 1 19 9524 1 1 17 ARG N N 5.575 -0.891 -9.988 1.00 . A A . 16 ARG N 1 1 19 9525 1 1 17 ARG NE N 9.568 1.716 -7.015 1.00 . A A . 16 ARG NE 1 1 19 9526 1 1 17 ARG NH1 N 10.907 0.244 -5.837 1.00 . A A . 16 ARG NH1 1 1 19 9527 1 1 17 ARG NH2 N 10.659 2.373 -5.164 1.00 . A A . 16 ARG NH2 1 1 19 9528 1 1 17 ARG O O 8.638 -0.460 -11.662 1.00 . A A . 16 ARG O 1 1 19 9529 1 1 18 LYS C C 7.674 -1.693 -14.077 1.00 . A A . 17 LYS C 1 1 19 9530 1 1 18 LYS CA C 7.821 -2.709 -12.970 1.00 . A A . 17 LYS CA 1 1 19 9531 1 1 18 LYS CB C 7.094 -3.997 -13.424 1.00 . A A . 17 LYS CB 1 1 19 9532 1 1 18 LYS CD C 7.710 -6.449 -13.624 1.00 . A A . 17 LYS CD 1 1 19 9533 1 1 18 LYS CE C 7.664 -7.816 -12.893 1.00 . A A . 17 LYS CE 1 1 19 9534 1 1 18 LYS CG C 7.575 -5.253 -12.646 1.00 . A A . 17 LYS CG 1 1 19 9535 1 1 18 LYS H H 6.520 -2.749 -11.280 1.00 . A A . 17 LYS H 1 1 19 9536 1 1 18 LYS HA H 8.900 -2.886 -12.842 1.00 . A A . 17 LYS HA 1 1 19 9537 1 1 18 LYS HB2 H 6.003 -3.892 -13.309 1.00 . A A . 17 LYS HB2 1 1 19 9538 1 1 18 LYS HB3 H 7.303 -4.116 -14.496 1.00 . A A . 17 LYS HB3 1 1 19 9539 1 1 18 LYS HD2 H 6.899 -6.436 -14.369 1.00 . A A . 17 LYS HD2 1 1 19 9540 1 1 18 LYS HD3 H 8.664 -6.326 -14.162 1.00 . A A . 17 LYS HD3 1 1 19 9541 1 1 18 LYS HE2 H 7.749 -7.687 -11.803 1.00 . A A . 17 LYS HE2 1 1 19 9542 1 1 18 LYS HE3 H 6.693 -8.293 -13.107 1.00 . A A . 17 LYS HE3 1 1 19 9543 1 1 18 LYS HG2 H 8.563 -5.098 -12.183 1.00 . A A . 17 LYS HG2 1 1 19 9544 1 1 18 LYS HG3 H 6.854 -5.462 -11.840 1.00 . A A . 17 LYS HG3 1 1 19 9545 1 1 18 LYS HZ1 H 8.729 -8.870 -14.404 1.00 . A A . 17 LYS HZ1 1 1 19 9546 1 1 18 LYS HZ2 H 8.656 -9.669 -12.847 1.00 . A A . 17 LYS HZ2 1 1 19 9547 1 1 18 LYS HZ3 H 9.716 -8.300 -13.058 1.00 . A A . 17 LYS HZ3 1 1 19 9548 1 1 18 LYS N N 7.255 -2.238 -11.719 1.00 . A A . 17 LYS N 1 1 19 9549 1 1 18 LYS NZ N 8.753 -8.709 -13.335 1.00 . A A . 17 LYS NZ 1 1 19 9550 1 1 18 LYS O O 8.431 -1.752 -15.033 1.00 . A A . 17 LYS O 1 1 19 9551 1 1 19 ARG C C 7.646 1.231 -14.971 1.00 . A A . 18 ARG C 1 1 19 9552 1 1 19 ARG CA C 6.535 0.206 -15.060 1.00 . A A . 18 ARG CA 1 1 19 9553 1 1 19 ARG CB C 5.118 0.851 -15.000 1.00 . A A . 18 ARG CB 1 1 19 9554 1 1 19 ARG CD C 3.926 1.404 -17.215 1.00 . A A . 18 ARG CD 1 1 19 9555 1 1 19 ARG CG C 4.151 0.350 -16.106 1.00 . A A . 18 ARG CG 1 1 19 9556 1 1 19 ARG CZ C 5.698 1.069 -18.885 1.00 . A A . 18 ARG CZ 1 1 19 9557 1 1 19 ARG H H 6.133 -0.692 -13.175 1.00 . A A . 18 ARG H 1 1 19 9558 1 1 19 ARG HA H 6.628 -0.320 -16.022 1.00 . A A . 18 ARG HA 1 1 19 9559 1 1 19 ARG HB2 H 4.606 0.638 -14.054 1.00 . A A . 18 ARG HB2 1 1 19 9560 1 1 19 ARG HB3 H 5.219 1.938 -15.042 1.00 . A A . 18 ARG HB3 1 1 19 9561 1 1 19 ARG HD2 H 3.146 1.028 -17.877 1.00 . A A . 18 ARG HD2 1 1 19 9562 1 1 19 ARG HD3 H 3.528 2.301 -16.714 1.00 . A A . 18 ARG HD3 1 1 19 9563 1 1 19 ARG HE H 5.403 2.782 -17.837 1.00 . A A . 18 ARG HE 1 1 19 9564 1 1 19 ARG HG2 H 4.458 -0.622 -16.514 1.00 . A A . 18 ARG HG2 1 1 19 9565 1 1 19 ARG HG3 H 3.158 0.193 -15.654 1.00 . A A . 18 ARG HG3 1 1 19 9566 1 1 19 ARG HH11 H 4.426 -0.529 -18.825 1.00 . A A . 18 ARG HH11 1 1 19 9567 1 1 19 ARG HH12 H 5.782 -0.685 -19.920 1.00 . A A . 18 ARG HH12 1 1 19 9568 1 1 19 ARG HH21 H 7.142 2.460 -19.283 1.00 . A A . 18 ARG HH21 1 1 19 9569 1 1 19 ARG HH22 H 7.276 0.958 -20.178 1.00 . A A . 18 ARG HH22 1 1 19 9570 1 1 19 ARG N N 6.706 -0.762 -13.988 1.00 . A A . 18 ARG N 1 1 19 9571 1 1 19 ARG NE N 5.090 1.815 -17.993 1.00 . A A . 18 ARG NE 1 1 19 9572 1 1 19 ARG NH1 N 5.281 -0.125 -19.220 1.00 . A A . 18 ARG NH1 1 1 19 9573 1 1 19 ARG NH2 N 6.771 1.525 -19.484 1.00 . A A . 18 ARG NH2 1 1 19 9574 1 1 19 ARG O O 7.642 2.039 -14.057 1.00 . A A . 18 ARG O 1 1 19 9575 1 1 20 LEU C C 9.028 3.639 -15.960 1.00 . A A . 19 LEU C 1 1 19 9576 1 1 20 LEU CA C 9.640 2.257 -15.940 1.00 . A A . 19 LEU CA 1 1 19 9577 1 1 20 LEU CB C 10.547 2.118 -17.202 1.00 . A A . 19 LEU CB 1 1 19 9578 1 1 20 LEU CD1 C 11.521 -0.231 -17.765 1.00 . A A . 19 LEU CD1 1 1 19 9579 1 1 20 LEU CD2 C 13.057 1.760 -17.440 1.00 . A A . 19 LEU CD2 1 1 19 9580 1 1 20 LEU CG C 11.719 1.107 -17.005 1.00 . A A . 19 LEU CG 1 1 19 9581 1 1 20 LEU H H 8.633 0.519 -16.630 1.00 . A A . 19 LEU H 1 1 19 9582 1 1 20 LEU HA H 10.232 2.207 -15.014 1.00 . A A . 19 LEU HA 1 1 19 9583 1 1 20 LEU HB2 H 9.953 1.864 -18.095 1.00 . A A . 19 LEU HB2 1 1 19 9584 1 1 20 LEU HB3 H 10.977 3.111 -17.391 1.00 . A A . 19 LEU HB3 1 1 19 9585 1 1 20 LEU HD11 H 11.786 -0.117 -18.826 1.00 . A A . 19 LEU HD11 1 1 19 9586 1 1 20 LEU HD12 H 10.484 -0.588 -17.695 1.00 . A A . 19 LEU HD12 1 1 19 9587 1 1 20 LEU HD13 H 12.176 -0.999 -17.322 1.00 . A A . 19 LEU HD13 1 1 19 9588 1 1 20 LEU HD21 H 12.988 2.128 -18.476 1.00 . A A . 19 LEU HD21 1 1 19 9589 1 1 20 LEU HD22 H 13.877 1.030 -17.378 1.00 . A A . 19 LEU HD22 1 1 19 9590 1 1 20 LEU HD23 H 13.292 2.606 -16.776 1.00 . A A . 19 LEU HD23 1 1 19 9591 1 1 20 LEU HG H 11.823 0.851 -15.939 1.00 . A A . 19 LEU HG 1 1 19 9592 1 1 20 LEU N N 8.610 1.222 -15.921 1.00 . A A . 19 LEU N 1 1 19 9593 1 1 20 LEU O O 9.592 4.550 -15.378 1.00 . A A . 19 LEU O 1 1 19 9594 1 1 21 LYS C C 5.782 5.019 -16.587 1.00 . A A . 20 LYS C 1 1 19 9595 1 1 21 LYS CA C 7.259 5.102 -16.820 1.00 . A A . 20 LYS CA 1 1 19 9596 1 1 21 LYS CB C 7.417 5.576 -18.286 1.00 . A A . 20 LYS CB 1 1 19 9597 1 1 21 LYS CD C 9.016 5.628 -20.235 1.00 . A A . 20 LYS CD 1 1 19 9598 1 1 21 LYS CE C 10.433 6.072 -20.684 1.00 . A A . 20 LYS CE 1 1 19 9599 1 1 21 LYS CG C 8.888 5.754 -18.704 1.00 . A A . 20 LYS CG 1 1 19 9600 1 1 21 LYS H H 7.457 3.001 -17.051 1.00 . A A . 20 LYS H 1 1 19 9601 1 1 21 LYS HA H 7.641 5.789 -16.065 1.00 . A A . 20 LYS HA 1 1 19 9602 1 1 21 LYS HB2 H 6.919 4.831 -18.921 1.00 . A A . 20 LYS HB2 1 1 19 9603 1 1 21 LYS HB3 H 6.934 6.541 -18.477 1.00 . A A . 20 LYS HB3 1 1 19 9604 1 1 21 LYS HD2 H 8.820 4.569 -20.467 1.00 . A A . 20 LYS HD2 1 1 19 9605 1 1 21 LYS HD3 H 8.257 6.248 -20.739 1.00 . A A . 20 LYS HD3 1 1 19 9606 1 1 21 LYS HE2 H 10.377 7.135 -20.974 1.00 . A A . 20 LYS HE2 1 1 19 9607 1 1 21 LYS HE3 H 11.137 6.004 -19.838 1.00 . A A . 20 LYS HE3 1 1 19 9608 1 1 21 LYS HG2 H 9.235 6.751 -18.412 1.00 . A A . 20 LYS HG2 1 1 19 9609 1 1 21 LYS HG3 H 9.528 4.997 -18.231 1.00 . A A . 20 LYS HG3 1 1 19 9610 1 1 21 LYS HZ1 H 11.350 5.879 -22.586 1.00 . A A . 20 LYS HZ1 1 1 19 9611 1 1 21 LYS HZ2 H 10.233 4.603 -22.271 1.00 . A A . 20 LYS HZ2 1 1 19 9612 1 1 21 LYS HZ3 H 11.765 4.622 -21.454 1.00 . A A . 20 LYS HZ3 1 1 19 9613 1 1 21 LYS N N 7.878 3.794 -16.644 1.00 . A A . 20 LYS N 1 1 19 9614 1 1 21 LYS NZ N 10.956 5.252 -21.800 1.00 . A A . 20 LYS NZ 1 1 19 9615 1 1 21 LYS O O 5.302 3.927 -16.350 1.00 . A A . 20 LYS O 1 1 19 9616 1 1 22 CYS C C 2.833 5.490 -17.508 1.00 . A A . 21 CYS C 1 1 19 9617 1 1 22 CYS CA C 3.628 6.089 -16.373 1.00 . A A . 21 CYS CA 1 1 19 9618 1 1 22 CYS CB C 3.202 7.540 -16.071 1.00 . A A . 21 CYS CB 1 1 19 9619 1 1 22 CYS H H 5.442 7.036 -16.878 1.00 . A A . 21 CYS H 1 1 19 9620 1 1 22 CYS HA H 3.460 5.485 -15.469 1.00 . A A . 21 CYS HA 1 1 19 9621 1 1 22 CYS HB2 H 3.843 8.009 -15.309 1.00 . A A . 21 CYS HB2 1 1 19 9622 1 1 22 CYS HB3 H 3.187 8.166 -16.974 1.00 . A A . 21 CYS HB3 1 1 19 9623 1 1 22 CYS N N 5.046 6.140 -16.663 1.00 . A A . 21 CYS N 1 1 19 9624 1 1 22 CYS O O 3.065 5.874 -18.641 1.00 . A A . 21 CYS O 1 1 19 9625 1 1 22 CYS SG S 1.565 7.423 -15.367 1.00 . A A . 21 CYS SG 1 1 19 9626 1 1 23 PHE C C -0.185 4.782 -18.573 1.00 . A A . 22 PHE C 1 1 19 9627 1 1 23 PHE CA C 1.066 3.989 -18.296 1.00 . A A . 22 PHE CA 1 1 19 9628 1 1 23 PHE CB C 0.624 2.553 -17.910 1.00 . A A . 22 PHE CB 1 1 19 9629 1 1 23 PHE CD1 C 1.696 1.480 -19.992 1.00 . A A . 22 PHE CD1 1 1 19 9630 1 1 23 PHE CD2 C -0.516 0.795 -19.322 1.00 . A A . 22 PHE CD2 1 1 19 9631 1 1 23 PHE CE1 C 1.656 0.582 -21.058 1.00 . A A . 22 PHE CE1 1 1 19 9632 1 1 23 PHE CE2 C -0.563 -0.096 -20.396 1.00 . A A . 22 PHE CE2 1 1 19 9633 1 1 23 PHE CG C 0.612 1.592 -19.110 1.00 . A A . 22 PHE CG 1 1 19 9634 1 1 23 PHE CZ C 0.523 -0.205 -21.266 1.00 . A A . 22 PHE CZ 1 1 19 9635 1 1 23 PHE H H 1.659 4.314 -16.282 1.00 . A A . 22 PHE H 1 1 19 9636 1 1 23 PHE HA H 1.631 4.006 -19.234 1.00 . A A . 22 PHE HA 1 1 19 9637 1 1 23 PHE HB2 H 1.280 2.122 -17.149 1.00 . A A . 22 PHE HB2 1 1 19 9638 1 1 23 PHE HB3 H -0.363 2.611 -17.426 1.00 . A A . 22 PHE HB3 1 1 19 9639 1 1 23 PHE HD1 H 2.593 2.076 -19.874 1.00 . A A . 22 PHE HD1 1 1 19 9640 1 1 23 PHE HD2 H -1.368 0.858 -18.654 1.00 . A A . 22 PHE HD2 1 1 19 9641 1 1 23 PHE HE1 H 2.506 0.497 -21.726 1.00 . A A . 22 PHE HE1 1 1 19 9642 1 1 23 PHE HE2 H -1.447 -0.704 -20.553 1.00 . A A . 22 PHE HE2 1 1 19 9643 1 1 23 PHE HZ H 0.486 -0.897 -22.100 1.00 . A A . 22 PHE HZ 1 1 19 9644 1 1 23 PHE N N 1.882 4.565 -17.227 1.00 . A A . 22 PHE N 1 1 19 9645 1 1 23 PHE O O -1.020 4.314 -19.331 1.00 . A A . 22 PHE O 1 1 19 9646 1 1 24 ARG C C -1.133 8.056 -18.858 1.00 . A A . 23 ARG C 1 1 19 9647 1 1 24 ARG CA C -1.500 6.796 -18.123 1.00 . A A . 23 ARG CA 1 1 19 9648 1 1 24 ARG CB C -2.065 7.078 -16.710 1.00 . A A . 23 ARG CB 1 1 19 9649 1 1 24 ARG CD C -4.355 7.980 -17.508 1.00 . A A . 23 ARG CD 1 1 19 9650 1 1 24 ARG CG C -3.079 8.247 -16.665 1.00 . A A . 23 ARG CG 1 1 19 9651 1 1 24 ARG CZ C -6.773 7.823 -17.241 1.00 . A A . 23 ARG CZ 1 1 19 9652 1 1 24 ARG H H 0.383 6.306 -17.353 1.00 . A A . 23 ARG H 1 1 19 9653 1 1 24 ARG HA H -2.250 6.263 -18.722 1.00 . A A . 23 ARG HA 1 1 19 9654 1 1 24 ARG HB2 H -2.517 6.135 -16.380 1.00 . A A . 23 ARG HB2 1 1 19 9655 1 1 24 ARG HB3 H -1.256 7.337 -16.013 1.00 . A A . 23 ARG HB3 1 1 19 9656 1 1 24 ARG HD2 H -4.443 8.852 -18.174 1.00 . A A . 23 ARG HD2 1 1 19 9657 1 1 24 ARG HD3 H -4.262 7.068 -18.112 1.00 . A A . 23 ARG HD3 1 1 19 9658 1 1 24 ARG HE H -5.465 7.669 -15.702 1.00 . A A . 23 ARG HE 1 1 19 9659 1 1 24 ARG HG2 H -3.346 8.442 -15.619 1.00 . A A . 23 ARG HG2 1 1 19 9660 1 1 24 ARG HG3 H -2.577 9.159 -17.025 1.00 . A A . 23 ARG HG3 1 1 19 9661 1 1 24 ARG HH11 H -6.233 8.018 -19.209 1.00 . A A . 23 ARG HH11 1 1 19 9662 1 1 24 ARG HH12 H -7.957 7.981 -18.896 1.00 . A A . 23 ARG HH12 1 1 19 9663 1 1 24 ARG HH21 H -7.684 7.596 -15.426 1.00 . A A . 23 ARG HH21 1 1 19 9664 1 1 24 ARG HH22 H -8.766 7.718 -16.812 1.00 . A A . 23 ARG HH22 1 1 19 9665 1 1 24 ARG N N -0.320 5.969 -17.956 1.00 . A A . 23 ARG N 1 1 19 9666 1 1 24 ARG NE N -5.571 7.804 -16.718 1.00 . A A . 23 ARG NE 1 1 19 9667 1 1 24 ARG NH1 N -6.998 7.954 -18.527 1.00 . A A . 23 ARG NH1 1 1 19 9668 1 1 24 ARG NH2 N -7.805 7.705 -16.444 1.00 . A A . 23 ARG NH2 1 1 19 9669 1 1 24 ARG O O -1.751 8.326 -19.874 1.00 . A A . 23 ARG O 1 1 19 9670 1 1 25 CYS C C 1.525 9.726 -19.916 1.00 . A A . 24 CYS C 1 1 19 9671 1 1 25 CYS CA C 0.287 10.013 -19.096 1.00 . A A . 24 CYS CA 1 1 19 9672 1 1 25 CYS CB C 0.526 11.170 -18.098 1.00 . A A . 24 CYS CB 1 1 19 9673 1 1 25 CYS H H 0.319 8.621 -17.512 1.00 . A A . 24 CYS H 1 1 19 9674 1 1 25 CYS HA H -0.508 10.371 -19.767 1.00 . A A . 24 CYS HA 1 1 19 9675 1 1 25 CYS HB2 H 0.583 12.142 -18.610 1.00 . A A . 24 CYS HB2 1 1 19 9676 1 1 25 CYS HB3 H -0.299 11.191 -17.376 1.00 . A A . 24 CYS HB3 1 1 19 9677 1 1 25 CYS N N -0.148 8.834 -18.364 1.00 . A A . 24 CYS N 1 1 19 9678 1 1 25 CYS O O 1.857 10.567 -20.736 1.00 . A A . 24 CYS O 1 1 19 9679 1 1 25 CYS SG S 2.058 10.954 -17.172 1.00 . A A . 24 CYS SG 1 1 19 9680 1 1 26 GLY C C 4.697 8.853 -19.756 1.00 . A A . 25 GLY C 1 1 19 9681 1 1 26 GLY CA C 3.471 8.357 -20.489 1.00 . A A . 25 GLY CA 1 1 19 9682 1 1 26 GLY H H 1.993 7.887 -19.068 1.00 . A A . 25 GLY H 1 1 19 9683 1 1 26 GLY HA2 H 3.585 7.278 -20.673 1.00 . A A . 25 GLY HA2 1 1 19 9684 1 1 26 GLY HA3 H 3.431 8.847 -21.473 1.00 . A A . 25 GLY HA3 1 1 19 9685 1 1 26 GLY N N 2.242 8.589 -19.733 1.00 . A A . 25 GLY N 1 1 19 9686 1 1 26 GLY O O 5.743 8.232 -19.848 1.00 . A A . 25 GLY O 1 1 19 9687 1 1 27 ALA C C 6.438 9.612 -17.458 1.00 . A A . 26 ALA C 1 1 19 9688 1 1 27 ALA CA C 5.750 10.584 -18.387 1.00 . A A . 26 ALA CA 1 1 19 9689 1 1 27 ALA CB C 5.402 11.855 -17.565 1.00 . A A . 26 ALA CB 1 1 19 9690 1 1 27 ALA H H 3.746 10.509 -19.060 1.00 . A A . 26 ALA H 1 1 19 9691 1 1 27 ALA HA H 6.433 10.883 -19.197 1.00 . A A . 26 ALA HA 1 1 19 9692 1 1 27 ALA HB1 H 4.583 12.428 -18.026 1.00 . A A . 26 ALA HB1 1 1 19 9693 1 1 27 ALA HB2 H 5.104 11.581 -16.541 1.00 . A A . 26 ALA HB2 1 1 19 9694 1 1 27 ALA HB3 H 6.285 12.509 -17.511 1.00 . A A . 26 ALA HB3 1 1 19 9695 1 1 27 ALA N N 4.594 9.996 -19.050 1.00 . A A . 26 ALA N 1 1 19 9696 1 1 27 ALA O O 5.788 8.756 -16.881 1.00 . A A . 26 ALA O 1 1 19 9697 1 1 28 ASP C C 8.161 9.074 -14.964 1.00 . A A . 27 ASP C 1 1 19 9698 1 1 28 ASP CA C 8.476 8.820 -16.417 1.00 . A A . 27 ASP CA 1 1 19 9699 1 1 28 ASP CB C 10.002 8.859 -16.659 1.00 . A A . 27 ASP CB 1 1 19 9700 1 1 28 ASP CG C 10.740 7.747 -15.969 1.00 . A A . 27 ASP CG 1 1 19 9701 1 1 28 ASP H H 8.292 10.419 -17.802 1.00 . A A . 27 ASP H 1 1 19 9702 1 1 28 ASP HA H 8.130 7.825 -16.680 1.00 . A A . 27 ASP HA 1 1 19 9703 1 1 28 ASP HB2 H 10.224 8.828 -17.735 1.00 . A A . 27 ASP HB2 1 1 19 9704 1 1 28 ASP HB3 H 10.385 9.798 -16.251 1.00 . A A . 27 ASP HB3 1 1 19 9705 1 1 28 ASP N N 7.772 9.731 -17.303 1.00 . A A . 27 ASP N 1 1 19 9706 1 1 28 ASP O O 7.830 10.192 -14.603 1.00 . A A . 27 ASP O 1 1 19 9707 1 1 28 ASP OD1 O 11.043 7.928 -14.761 1.00 . A A . 27 ASP OD1 1 1 19 9708 1 1 28 ASP OD2 O 11.034 6.711 -16.622 1.00 . A A . 27 ASP OD2 1 1 19 9709 1 1 29 LYS C C 9.046 9.275 -12.116 1.00 . A A . 28 LYS C 1 1 19 9710 1 1 29 LYS CA C 8.081 8.260 -12.678 1.00 . A A . 28 LYS CA 1 1 19 9711 1 1 29 LYS CB C 8.259 6.953 -11.869 1.00 . A A . 28 LYS CB 1 1 19 9712 1 1 29 LYS CD C 10.347 5.887 -10.827 1.00 . A A . 28 LYS CD 1 1 19 9713 1 1 29 LYS CE C 9.572 4.905 -9.917 1.00 . A A . 28 LYS CE 1 1 19 9714 1 1 29 LYS CG C 9.597 6.209 -12.133 1.00 . A A . 28 LYS CG 1 1 19 9715 1 1 29 LYS H H 8.572 7.139 -14.409 1.00 . A A . 28 LYS H 1 1 19 9716 1 1 29 LYS HA H 7.055 8.628 -12.515 1.00 . A A . 28 LYS HA 1 1 19 9717 1 1 29 LYS HB2 H 8.122 7.225 -10.813 1.00 . A A . 28 LYS HB2 1 1 19 9718 1 1 29 LYS HB3 H 7.468 6.257 -12.142 1.00 . A A . 28 LYS HB3 1 1 19 9719 1 1 29 LYS HD2 H 11.320 5.436 -11.083 1.00 . A A . 28 LYS HD2 1 1 19 9720 1 1 29 LYS HD3 H 10.523 6.839 -10.301 1.00 . A A . 28 LYS HD3 1 1 19 9721 1 1 29 LYS HE2 H 8.597 5.324 -9.627 1.00 . A A . 28 LYS HE2 1 1 19 9722 1 1 29 LYS HE3 H 9.381 3.964 -10.460 1.00 . A A . 28 LYS HE3 1 1 19 9723 1 1 29 LYS HG2 H 9.420 5.279 -12.698 1.00 . A A . 28 LYS HG2 1 1 19 9724 1 1 29 LYS HG3 H 10.286 6.832 -12.712 1.00 . A A . 28 LYS HG3 1 1 19 9725 1 1 29 LYS HZ1 H 10.883 3.702 -8.765 1.00 . A A . 28 LYS HZ1 1 1 19 9726 1 1 29 LYS HZ2 H 9.741 4.722 -7.828 1.00 . A A . 28 LYS HZ2 1 1 19 9727 1 1 29 LYS HZ3 H 11.131 5.400 -8.515 1.00 . A A . 28 LYS HZ3 1 1 19 9728 1 1 29 LYS N N 8.284 8.044 -14.102 1.00 . A A . 28 LYS N 1 1 19 9729 1 1 29 LYS NZ N 10.373 4.653 -8.698 1.00 . A A . 28 LYS NZ 1 1 19 9730 1 1 29 LYS O O 8.754 9.829 -11.068 1.00 . A A . 28 LYS O 1 1 19 9731 1 1 30 PHE C C 11.134 11.714 -13.218 1.00 . A A . 29 PHE C 1 1 19 9732 1 1 30 PHE CA C 11.152 10.506 -12.308 1.00 . A A . 29 PHE CA 1 1 19 9733 1 1 30 PHE CB C 12.553 9.827 -12.245 1.00 . A A . 29 PHE CB 1 1 19 9734 1 1 30 PHE CD1 C 13.548 11.056 -10.266 1.00 . A A . 29 PHE CD1 1 1 19 9735 1 1 30 PHE CD2 C 13.218 8.670 -10.075 1.00 . A A . 29 PHE CD2 1 1 19 9736 1 1 30 PHE CE1 C 14.088 11.084 -8.978 1.00 . A A . 29 PHE CE1 1 1 19 9737 1 1 30 PHE CE2 C 13.753 8.698 -8.786 1.00 . A A . 29 PHE CE2 1 1 19 9738 1 1 30 PHE CG C 13.119 9.847 -10.822 1.00 . A A . 29 PHE CG 1 1 19 9739 1 1 30 PHE CZ C 14.194 9.905 -8.238 1.00 . A A . 29 PHE CZ 1 1 19 9740 1 1 30 PHE H H 10.421 9.059 -13.644 1.00 . A A . 29 PHE H 1 1 19 9741 1 1 30 PHE HA H 10.895 10.871 -11.302 1.00 . A A . 29 PHE HA 1 1 19 9742 1 1 30 PHE HB2 H 12.483 8.779 -12.572 1.00 . A A . 29 PHE HB2 1 1 19 9743 1 1 30 PHE HB3 H 13.280 10.314 -12.910 1.00 . A A . 29 PHE HB3 1 1 19 9744 1 1 30 PHE HD1 H 13.465 11.975 -10.835 1.00 . A A . 29 PHE HD1 1 1 19 9745 1 1 30 PHE HD2 H 12.886 7.724 -10.488 1.00 . A A . 29 PHE HD2 1 1 19 9746 1 1 30 PHE HE1 H 14.427 12.022 -8.554 1.00 . A A . 29 PHE HE1 1 1 19 9747 1 1 30 PHE HE2 H 13.828 7.781 -8.210 1.00 . A A . 29 PHE HE2 1 1 19 9748 1 1 30 PHE HZ H 14.617 9.926 -7.240 1.00 . A A . 29 PHE HZ 1 1 19 9749 1 1 30 PHE N N 10.192 9.523 -12.786 1.00 . A A . 29 PHE N 1 1 19 9750 1 1 30 PHE O O 12.136 12.409 -13.272 1.00 . A A . 29 PHE O 1 1 19 9751 1 1 31 ASP C C 8.670 13.835 -14.699 1.00 . A A . 30 ASP C 1 1 19 9752 1 1 31 ASP CA C 10.004 13.142 -14.846 1.00 . A A . 30 ASP CA 1 1 19 9753 1 1 31 ASP CB C 10.213 12.644 -16.291 1.00 . A A . 30 ASP CB 1 1 19 9754 1 1 31 ASP CG C 10.508 13.762 -17.250 1.00 . A A . 30 ASP CG 1 1 19 9755 1 1 31 ASP H H 9.187 11.441 -13.899 1.00 . A A . 30 ASP H 1 1 19 9756 1 1 31 ASP HA H 10.825 13.843 -14.633 1.00 . A A . 30 ASP HA 1 1 19 9757 1 1 31 ASP HB2 H 11.082 11.974 -16.302 1.00 . A A . 30 ASP HB2 1 1 19 9758 1 1 31 ASP HB3 H 9.321 12.100 -16.628 1.00 . A A . 30 ASP HB3 1 1 19 9759 1 1 31 ASP N N 10.022 12.000 -13.936 1.00 . A A . 30 ASP N 1 1 19 9760 1 1 31 ASP O O 7.665 13.292 -15.126 1.00 . A A . 30 ASP O 1 1 19 9761 1 1 31 ASP OD1 O 10.052 14.910 -17.003 1.00 . A A . 30 ASP OD1 1 1 19 9762 1 1 31 ASP OD2 O 11.212 13.493 -18.260 1.00 . A A . 30 ASP OD2 1 1 19 9763 1 1 32 NH2 HN1 H 9.431 15.483 -13.732 1.00 . A A . 31 NH2 HN1 1 1 19 9764 1 1 32 NH2 HN2 H 7.719 15.471 -13.979 1.00 . A A . 31 NH2 HN2 1 1 19 9765 1 1 32 NH2 N N 8.611 15.031 -14.080 1.00 . A A . 31 NH2 N 1 1 19 9766 2 2 1 ZN ZN ZN 1.349 9.800 -15.222 1.00 . B A . 32 ZN ZN 1 1 20 9767 1 1 1 ACE C C -1.053 -0.463 -2.666 1.00 . A A . 0 ACE C 1 1 20 9768 1 1 1 ACE CH3 C -2.502 -0.587 -2.305 1.00 . A A . 0 ACE CH3 1 1 20 9769 1 1 1 ACE H1 H -2.825 0.323 -1.778 1.00 . A A . 0 ACE H1 1 1 20 9770 1 1 1 ACE H2 H -2.651 -1.462 -1.658 1.00 . A A . 0 ACE H2 1 1 20 9771 1 1 1 ACE H3 H -3.106 -0.705 -3.218 1.00 . A A . 0 ACE H3 1 1 20 9772 1 1 1 ACE O O -0.756 -0.431 -3.846 1.00 . A A . 0 ACE O 1 1 20 9773 1 1 2 LYS C C 1.906 -1.505 -2.423 1.00 . A A . 1 LYS C 1 1 20 9774 1 1 2 LYS CA C 1.278 -0.193 -2.016 1.00 . A A . 1 LYS CA 1 1 20 9775 1 1 2 LYS CB C 2.006 0.483 -0.816 1.00 . A A . 1 LYS CB 1 1 20 9776 1 1 2 LYS CD C 3.169 2.706 -0.347 1.00 . A A . 1 LYS CD 1 1 20 9777 1 1 2 LYS CE C 4.109 3.816 -0.881 1.00 . A A . 1 LYS CE 1 1 20 9778 1 1 2 LYS CG C 3.176 1.427 -1.227 1.00 . A A . 1 LYS CG 1 1 20 9779 1 1 2 LYS H H -0.408 -0.503 -0.726 1.00 . A A . 1 LYS H 1 1 20 9780 1 1 2 LYS HA H 1.311 0.491 -2.873 1.00 . A A . 1 LYS HA 1 1 20 9781 1 1 2 LYS HB2 H 1.246 1.088 -0.304 1.00 . A A . 1 LYS HB2 1 1 20 9782 1 1 2 LYS HB3 H 2.356 -0.264 -0.085 1.00 . A A . 1 LYS HB3 1 1 20 9783 1 1 2 LYS HD2 H 2.165 3.162 -0.350 1.00 . A A . 1 LYS HD2 1 1 20 9784 1 1 2 LYS HD3 H 3.428 2.444 0.692 1.00 . A A . 1 LYS HD3 1 1 20 9785 1 1 2 LYS HE2 H 3.813 4.092 -1.907 1.00 . A A . 1 LYS HE2 1 1 20 9786 1 1 2 LYS HE3 H 3.969 4.701 -0.239 1.00 . A A . 1 LYS HE3 1 1 20 9787 1 1 2 LYS HG2 H 4.136 0.894 -1.124 1.00 . A A . 1 LYS HG2 1 1 20 9788 1 1 2 LYS HG3 H 3.085 1.757 -2.270 1.00 . A A . 1 LYS HG3 1 1 20 9789 1 1 2 LYS HZ1 H 5.781 2.878 0.039 1.00 . A A . 1 LYS HZ1 1 1 20 9790 1 1 2 LYS HZ2 H 6.154 4.305 -0.892 1.00 . A A . 1 LYS HZ2 1 1 20 9791 1 1 2 LYS HZ3 H 5.774 2.816 -1.719 1.00 . A A . 1 LYS HZ3 1 1 20 9792 1 1 2 LYS N N -0.131 -0.400 -1.682 1.00 . A A . 1 LYS N 1 1 20 9793 1 1 2 LYS NZ N 5.531 3.422 -0.860 1.00 . A A . 1 LYS NZ 1 1 20 9794 1 1 2 LYS O O 2.938 -1.879 -1.887 1.00 . A A . 1 LYS O 1 1 20 9795 1 1 3 PHE C C 2.900 -3.371 -4.745 1.00 . A A . 2 PHE C 1 1 20 9796 1 1 3 PHE CA C 1.801 -3.553 -3.733 1.00 . A A . 2 PHE CA 1 1 20 9797 1 1 3 PHE CB C 0.668 -4.436 -4.312 1.00 . A A . 2 PHE CB 1 1 20 9798 1 1 3 PHE CD1 C -0.282 -5.436 -2.179 1.00 . A A . 2 PHE CD1 1 1 20 9799 1 1 3 PHE CD2 C -1.699 -3.981 -3.484 1.00 . A A . 2 PHE CD2 1 1 20 9800 1 1 3 PHE CE1 C -1.325 -5.639 -1.272 1.00 . A A . 2 PHE CE1 1 1 20 9801 1 1 3 PHE CE2 C -2.748 -4.200 -2.590 1.00 . A A . 2 PHE CE2 1 1 20 9802 1 1 3 PHE CG C -0.468 -4.617 -3.297 1.00 . A A . 2 PHE CG 1 1 20 9803 1 1 3 PHE CZ C -2.561 -5.027 -1.481 1.00 . A A . 2 PHE CZ 1 1 20 9804 1 1 3 PHE H H 0.546 -1.858 -3.926 1.00 . A A . 2 PHE H 1 1 20 9805 1 1 3 PHE HA H 2.208 -4.068 -2.848 1.00 . A A . 2 PHE HA 1 1 20 9806 1 1 3 PHE HB2 H 0.280 -3.980 -5.236 1.00 . A A . 2 PHE HB2 1 1 20 9807 1 1 3 PHE HB3 H 1.069 -5.430 -4.563 1.00 . A A . 2 PHE HB3 1 1 20 9808 1 1 3 PHE HD1 H 0.671 -5.923 -2.010 1.00 . A A . 2 PHE HD1 1 1 20 9809 1 1 3 PHE HD2 H -1.852 -3.315 -4.328 1.00 . A A . 2 PHE HD2 1 1 20 9810 1 1 3 PHE HE1 H -1.173 -6.275 -0.406 1.00 . A A . 2 PHE HE1 1 1 20 9811 1 1 3 PHE HE2 H -3.709 -3.727 -2.757 1.00 . A A . 2 PHE HE2 1 1 20 9812 1 1 3 PHE HZ H -3.376 -5.195 -0.784 1.00 . A A . 2 PHE HZ 1 1 20 9813 1 1 3 PHE N N 1.300 -2.233 -3.382 1.00 . A A . 2 PHE N 1 1 20 9814 1 1 3 PHE O O 2.765 -3.813 -5.874 1.00 . A A . 2 PHE O 1 1 20 9815 1 1 4 GLU C C 4.736 -1.679 -6.406 1.00 . A A . 3 GLU C 1 1 20 9816 1 1 4 GLU CA C 5.132 -2.565 -5.247 1.00 . A A . 3 GLU CA 1 1 20 9817 1 1 4 GLU CB C 5.652 -3.982 -5.631 1.00 . A A . 3 GLU CB 1 1 20 9818 1 1 4 GLU CD C 7.931 -5.122 -5.359 1.00 . A A . 3 GLU CD 1 1 20 9819 1 1 4 GLU CG C 7.153 -4.018 -6.013 1.00 . A A . 3 GLU CG 1 1 20 9820 1 1 4 GLU H H 4.089 -2.376 -3.401 1.00 . A A . 3 GLU H 1 1 20 9821 1 1 4 GLU HA H 5.907 -2.027 -4.677 1.00 . A A . 3 GLU HA 1 1 20 9822 1 1 4 GLU HB2 H 5.520 -4.620 -4.744 1.00 . A A . 3 GLU HB2 1 1 20 9823 1 1 4 GLU HB3 H 5.069 -4.420 -6.456 1.00 . A A . 3 GLU HB3 1 1 20 9824 1 1 4 GLU HG2 H 7.272 -4.165 -7.095 1.00 . A A . 3 GLU HG2 1 1 20 9825 1 1 4 GLU HG3 H 7.622 -3.080 -5.708 1.00 . A A . 3 GLU HG3 1 1 20 9826 1 1 4 GLU N N 4.008 -2.722 -4.338 1.00 . A A . 3 GLU N 1 1 20 9827 1 1 4 GLU O O 4.704 -2.120 -7.544 1.00 . A A . 3 GLU O 1 1 20 9828 1 1 4 GLU OE1 O 7.501 -6.299 -5.466 1.00 . A A . 3 GLU OE1 1 1 20 9829 1 1 4 GLU OE2 O 8.991 -4.805 -4.750 1.00 . A A . 3 GLU OE2 1 1 20 9830 1 1 5 ASP C C 4.417 1.936 -6.799 1.00 . A A . 4 ASP C 1 1 20 9831 1 1 5 ASP CA C 4.016 0.531 -7.169 1.00 . A A . 4 ASP CA 1 1 20 9832 1 1 5 ASP CB C 2.486 0.400 -7.373 1.00 . A A . 4 ASP CB 1 1 20 9833 1 1 5 ASP CG C 1.815 0.288 -6.037 1.00 . A A . 4 ASP CG 1 1 20 9834 1 1 5 ASP H H 4.425 -0.040 -5.181 1.00 . A A . 4 ASP H 1 1 20 9835 1 1 5 ASP HA H 4.544 0.313 -8.104 1.00 . A A . 4 ASP HA 1 1 20 9836 1 1 5 ASP HB2 H 2.058 1.252 -7.919 1.00 . A A . 4 ASP HB2 1 1 20 9837 1 1 5 ASP HB3 H 2.277 -0.516 -7.944 1.00 . A A . 4 ASP HB3 1 1 20 9838 1 1 5 ASP N N 4.436 -0.393 -6.119 1.00 . A A . 4 ASP N 1 1 20 9839 1 1 5 ASP O O 4.968 2.130 -5.726 1.00 . A A . 4 ASP O 1 1 20 9840 1 1 5 ASP OD1 O 2.209 1.053 -5.113 1.00 . A A . 4 ASP OD1 1 1 20 9841 1 1 5 ASP OD2 O 0.914 -0.583 -5.903 1.00 . A A . 4 ASP OD2 1 1 20 9842 1 1 6 TRP C C 3.426 5.213 -7.951 1.00 . A A . 5 TRP C 1 1 20 9843 1 1 6 TRP CA C 4.495 4.308 -7.400 1.00 . A A . 5 TRP CA 1 1 20 9844 1 1 6 TRP CB C 5.848 4.662 -8.049 1.00 . A A . 5 TRP CB 1 1 20 9845 1 1 6 TRP CD1 C 6.327 3.020 -9.909 1.00 . A A . 5 TRP CD1 1 1 20 9846 1 1 6 TRP CD2 C 5.440 4.954 -10.705 1.00 . A A . 5 TRP CD2 1 1 20 9847 1 1 6 TRP CE2 C 5.784 4.100 -11.735 1.00 . A A . 5 TRP CE2 1 1 20 9848 1 1 6 TRP CE3 C 4.855 6.199 -10.932 1.00 . A A . 5 TRP CE3 1 1 20 9849 1 1 6 TRP CG C 5.877 4.206 -9.481 1.00 . A A . 5 TRP CG 1 1 20 9850 1 1 6 TRP CH2 C 5.099 5.738 -13.312 1.00 . A A . 5 TRP CH2 1 1 20 9851 1 1 6 TRP CZ2 C 5.645 4.476 -13.065 1.00 . A A . 5 TRP CZ2 1 1 20 9852 1 1 6 TRP CZ3 C 4.668 6.558 -12.268 1.00 . A A . 5 TRP CZ3 1 1 20 9853 1 1 6 TRP H H 3.786 2.710 -8.595 1.00 . A A . 5 TRP H 1 1 20 9854 1 1 6 TRP HA H 4.547 4.481 -6.314 1.00 . A A . 5 TRP HA 1 1 20 9855 1 1 6 TRP HB2 H 6.058 5.740 -8.001 1.00 . A A . 5 TRP HB2 1 1 20 9856 1 1 6 TRP HB3 H 6.635 4.130 -7.494 1.00 . A A . 5 TRP HB3 1 1 20 9857 1 1 6 TRP HD1 H 6.679 2.298 -9.186 1.00 . A A . 5 TRP HD1 1 1 20 9858 1 1 6 TRP HE1 H 6.548 2.131 -11.774 1.00 . A A . 5 TRP HE1 1 1 20 9859 1 1 6 TRP HE3 H 4.581 6.839 -10.110 1.00 . A A . 5 TRP HE3 1 1 20 9860 1 1 6 TRP HH2 H 5.014 6.097 -14.323 1.00 . A A . 5 TRP HH2 1 1 20 9861 1 1 6 TRP HZ2 H 5.947 3.856 -13.890 1.00 . A A . 5 TRP HZ2 1 1 20 9862 1 1 6 TRP HZ3 H 4.193 7.482 -12.543 1.00 . A A . 5 TRP HZ3 1 1 20 9863 1 1 6 TRP N N 4.166 2.918 -7.691 1.00 . A A . 5 TRP N 1 1 20 9864 1 1 6 TRP NE1 N 6.261 2.948 -11.213 1.00 . A A . 5 TRP NE1 1 1 20 9865 1 1 6 TRP O O 2.662 4.751 -8.784 1.00 . A A . 5 TRP O 1 1 20 9866 1 1 7 LEU C C 2.960 8.372 -8.914 1.00 . A A . 6 LEU C 1 1 20 9867 1 1 7 LEU CA C 2.362 7.422 -7.910 1.00 . A A . 6 LEU CA 1 1 20 9868 1 1 7 LEU CB C 1.804 8.308 -6.755 1.00 . A A . 6 LEU CB 1 1 20 9869 1 1 7 LEU CD1 C 0.623 6.867 -5.009 1.00 . A A . 6 LEU CD1 1 1 20 9870 1 1 7 LEU CD2 C -0.522 8.976 -5.839 1.00 . A A . 6 LEU CD2 1 1 20 9871 1 1 7 LEU CG C 0.428 7.815 -6.219 1.00 . A A . 6 LEU CG 1 1 20 9872 1 1 7 LEU H H 4.083 6.819 -6.844 1.00 . A A . 6 LEU H 1 1 20 9873 1 1 7 LEU HA H 1.556 6.868 -8.404 1.00 . A A . 6 LEU HA 1 1 20 9874 1 1 7 LEU HB2 H 2.529 8.382 -5.929 1.00 . A A . 6 LEU HB2 1 1 20 9875 1 1 7 LEU HB3 H 1.692 9.326 -7.159 1.00 . A A . 6 LEU HB3 1 1 20 9876 1 1 7 LEU HD11 H -0.312 6.331 -4.790 1.00 . A A . 6 LEU HD11 1 1 20 9877 1 1 7 LEU HD12 H 0.909 7.435 -4.113 1.00 . A A . 6 LEU HD12 1 1 20 9878 1 1 7 LEU HD13 H 1.424 6.143 -5.223 1.00 . A A . 6 LEU HD13 1 1 20 9879 1 1 7 LEU HD21 H -1.563 8.616 -5.839 1.00 . A A . 6 LEU HD21 1 1 20 9880 1 1 7 LEU HD22 H -0.437 9.767 -6.592 1.00 . A A . 6 LEU HD22 1 1 20 9881 1 1 7 LEU HD23 H -0.289 9.401 -4.852 1.00 . A A . 6 LEU HD23 1 1 20 9882 1 1 7 LEU HG H -0.117 7.313 -7.031 1.00 . A A . 6 LEU HG 1 1 20 9883 1 1 7 LEU N N 3.385 6.480 -7.475 1.00 . A A . 6 LEU N 1 1 20 9884 1 1 7 LEU O O 4.011 8.928 -8.639 1.00 . A A . 6 LEU O 1 1 20 9885 1 1 8 CYS C C 2.880 10.906 -10.598 1.00 . A A . 7 CYS C 1 1 20 9886 1 1 8 CYS CA C 2.888 9.474 -11.059 1.00 . A A . 7 CYS CA 1 1 20 9887 1 1 8 CYS CB C 2.082 9.325 -12.369 1.00 . A A . 7 CYS CB 1 1 20 9888 1 1 8 CYS H H 1.447 8.109 -10.300 1.00 . A A . 7 CYS H 1 1 20 9889 1 1 8 CYS HA H 3.943 9.212 -11.204 1.00 . A A . 7 CYS HA 1 1 20 9890 1 1 8 CYS HB2 H 1.995 8.277 -12.696 1.00 . A A . 7 CYS HB2 1 1 20 9891 1 1 8 CYS HB3 H 1.077 9.733 -12.232 1.00 . A A . 7 CYS HB3 1 1 20 9892 1 1 8 CYS N N 2.310 8.573 -10.078 1.00 . A A . 7 CYS N 1 1 20 9893 1 1 8 CYS O O 1.994 11.273 -9.843 1.00 . A A . 7 CYS O 1 1 20 9894 1 1 8 CYS SG S 2.855 10.288 -13.675 1.00 . A A . 7 CYS SG 1 1 20 9895 1 1 9 ASN C C 3.178 14.013 -11.676 1.00 . A A . 8 ASN C 1 1 20 9896 1 1 9 ASN CA C 3.878 13.137 -10.662 1.00 . A A . 8 ASN CA 1 1 20 9897 1 1 9 ASN CB C 5.347 13.594 -10.489 1.00 . A A . 8 ASN CB 1 1 20 9898 1 1 9 ASN CG C 5.957 13.957 -11.821 1.00 . A A . 8 ASN CG 1 1 20 9899 1 1 9 ASN H H 4.533 11.433 -11.729 1.00 . A A . 8 ASN H 1 1 20 9900 1 1 9 ASN HA H 3.379 13.265 -9.689 1.00 . A A . 8 ASN HA 1 1 20 9901 1 1 9 ASN HB2 H 5.362 14.457 -9.806 1.00 . A A . 8 ASN HB2 1 1 20 9902 1 1 9 ASN HB3 H 5.931 12.781 -10.030 1.00 . A A . 8 ASN HB3 1 1 20 9903 1 1 9 ASN HD21 H 6.808 15.711 -11.157 1.00 . A A . 8 ASN HD21 1 1 20 9904 1 1 9 ASN HD22 H 7.056 15.337 -12.824 1.00 . A A . 8 ASN HD22 1 1 20 9905 1 1 9 ASN N N 3.847 11.734 -11.060 1.00 . A A . 8 ASN N 1 1 20 9906 1 1 9 ASN ND2 N 6.670 15.097 -11.933 1.00 . A A . 8 ASN ND2 1 1 20 9907 1 1 9 ASN O O 3.498 15.187 -11.770 1.00 . A A . 8 ASN O 1 1 20 9908 1 1 9 ASN OD1 O 5.787 13.211 -12.771 1.00 . A A . 8 ASN OD1 1 1 20 9909 1 1 10 LYS C C 0.052 13.903 -13.404 1.00 . A A . 9 LYS C 1 1 20 9910 1 1 10 LYS CA C 1.531 14.204 -13.478 1.00 . A A . 9 LYS CA 1 1 20 9911 1 1 10 LYS CB C 2.121 13.855 -14.871 1.00 . A A . 9 LYS CB 1 1 20 9912 1 1 10 LYS CD C 2.605 16.144 -15.908 1.00 . A A . 9 LYS CD 1 1 20 9913 1 1 10 LYS CE C 1.827 17.426 -16.296 1.00 . A A . 9 LYS CE 1 1 20 9914 1 1 10 LYS CG C 1.678 14.897 -15.926 1.00 . A A . 9 LYS CG 1 1 20 9915 1 1 10 LYS H H 1.996 12.492 -12.343 1.00 . A A . 9 LYS H 1 1 20 9916 1 1 10 LYS HA H 1.644 15.280 -13.288 1.00 . A A . 9 LYS HA 1 1 20 9917 1 1 10 LYS HB2 H 3.220 13.816 -14.823 1.00 . A A . 9 LYS HB2 1 1 20 9918 1 1 10 LYS HB3 H 1.770 12.865 -15.187 1.00 . A A . 9 LYS HB3 1 1 20 9919 1 1 10 LYS HD2 H 3.071 16.307 -14.925 1.00 . A A . 9 LYS HD2 1 1 20 9920 1 1 10 LYS HD3 H 3.416 15.968 -16.634 1.00 . A A . 9 LYS HD3 1 1 20 9921 1 1 10 LYS HE2 H 2.536 18.170 -16.693 1.00 . A A . 9 LYS HE2 1 1 20 9922 1 1 10 LYS HE3 H 1.107 17.185 -17.094 1.00 . A A . 9 LYS HE3 1 1 20 9923 1 1 10 LYS HG2 H 1.724 14.445 -16.931 1.00 . A A . 9 LYS HG2 1 1 20 9924 1 1 10 LYS HG3 H 0.628 15.166 -15.733 1.00 . A A . 9 LYS HG3 1 1 20 9925 1 1 10 LYS HZ1 H 1.796 18.683 -14.590 1.00 . A A . 9 LYS HZ1 1 1 20 9926 1 1 10 LYS HZ2 H 0.791 17.282 -14.409 1.00 . A A . 9 LYS HZ2 1 1 20 9927 1 1 10 LYS HZ3 H 0.267 18.576 -15.427 1.00 . A A . 9 LYS HZ3 1 1 20 9928 1 1 10 LYS N N 2.220 13.451 -12.443 1.00 . A A . 9 LYS N 1 1 20 9929 1 1 10 LYS NZ N 1.136 18.012 -15.124 1.00 . A A . 9 LYS NZ 1 1 20 9930 1 1 10 LYS O O -0.723 14.827 -13.219 1.00 . A A . 9 LYS O 1 1 20 9931 1 1 11 CYS C C -2.037 11.583 -12.057 1.00 . A A . 10 CYS C 1 1 20 9932 1 1 11 CYS CA C -1.754 12.253 -13.388 1.00 . A A . 10 CYS CA 1 1 20 9933 1 1 11 CYS CB C -2.107 11.306 -14.552 1.00 . A A . 10 CYS CB 1 1 20 9934 1 1 11 CYS H H 0.295 11.887 -13.715 1.00 . A A . 10 CYS H 1 1 20 9935 1 1 11 CYS HA H -2.417 13.124 -13.490 1.00 . A A . 10 CYS HA 1 1 20 9936 1 1 11 CYS HB2 H -3.181 11.084 -14.519 1.00 . A A . 10 CYS HB2 1 1 20 9937 1 1 11 CYS HB3 H -1.879 11.784 -15.514 1.00 . A A . 10 CYS HB3 1 1 20 9938 1 1 11 CYS N N -0.352 12.621 -13.536 1.00 . A A . 10 CYS N 1 1 20 9939 1 1 11 CYS O O -3.179 11.215 -11.832 1.00 . A A . 10 CYS O 1 1 20 9940 1 1 11 CYS SG S -1.109 9.795 -14.403 1.00 . A A . 10 CYS SG 1 1 20 9941 1 1 12 CYS C C -1.812 9.419 -9.887 1.00 . A A . 11 CYS C 1 1 20 9942 1 1 12 CYS CA C -1.316 10.847 -9.837 1.00 . A A . 11 CYS CA 1 1 20 9943 1 1 12 CYS CB C -2.295 11.806 -9.111 1.00 . A A . 11 CYS CB 1 1 20 9944 1 1 12 CYS H H -0.101 11.697 -11.328 1.00 . A A . 11 CYS H 1 1 20 9945 1 1 12 CYS HA H -0.381 10.826 -9.258 1.00 . A A . 11 CYS HA 1 1 20 9946 1 1 12 CYS HB2 H -2.131 12.825 -9.490 1.00 . A A . 11 CYS HB2 1 1 20 9947 1 1 12 CYS HB3 H -3.340 11.518 -9.295 1.00 . A A . 11 CYS HB3 1 1 20 9948 1 1 12 CYS HG H -2.387 10.999 -7.079 1.00 . A A . 11 CYS HG 1 1 20 9949 1 1 12 CYS N N -1.041 11.409 -11.156 1.00 . A A . 11 CYS N 1 1 20 9950 1 1 12 CYS O O -2.398 8.958 -8.921 1.00 . A A . 11 CYS O 1 1 20 9951 1 1 12 CYS SG S -2.002 11.898 -7.318 1.00 . A A . 11 CYS SG 1 1 20 9952 1 1 13 LEU C C -1.057 6.383 -10.573 1.00 . A A . 12 LEU C 1 1 20 9953 1 1 13 LEU CA C -2.078 7.335 -11.135 1.00 . A A . 12 LEU CA 1 1 20 9954 1 1 13 LEU CB C -2.244 6.993 -12.635 1.00 . A A . 12 LEU CB 1 1 20 9955 1 1 13 LEU CD1 C -4.521 5.813 -12.938 1.00 . A A . 12 LEU CD1 1 1 20 9956 1 1 13 LEU CD2 C -2.430 4.929 -14.197 1.00 . A A . 12 LEU CD2 1 1 20 9957 1 1 13 LEU CG C -2.974 5.648 -12.930 1.00 . A A . 12 LEU CG 1 1 20 9958 1 1 13 LEU H H -1.063 9.070 -11.763 1.00 . A A . 12 LEU H 1 1 20 9959 1 1 13 LEU HA H -3.053 7.249 -10.631 1.00 . A A . 12 LEU HA 1 1 20 9960 1 1 13 LEU HB2 H -2.832 7.809 -13.055 1.00 . A A . 12 LEU HB2 1 1 20 9961 1 1 13 LEU HB3 H -1.238 7.022 -13.080 1.00 . A A . 12 LEU HB3 1 1 20 9962 1 1 13 LEU HD11 H -5.001 4.869 -12.639 1.00 . A A . 12 LEU HD11 1 1 20 9963 1 1 13 LEU HD12 H -4.888 6.075 -13.937 1.00 . A A . 12 LEU HD12 1 1 20 9964 1 1 13 LEU HD13 H -4.844 6.598 -12.239 1.00 . A A . 12 LEU HD13 1 1 20 9965 1 1 13 LEU HD21 H -3.242 4.628 -14.874 1.00 . A A . 12 LEU HD21 1 1 20 9966 1 1 13 LEU HD22 H -1.884 4.019 -13.908 1.00 . A A . 12 LEU HD22 1 1 20 9967 1 1 13 LEU HD23 H -1.720 5.557 -14.748 1.00 . A A . 12 LEU HD23 1 1 20 9968 1 1 13 LEU HG H -2.763 4.942 -12.124 1.00 . A A . 12 LEU HG 1 1 20 9969 1 1 13 LEU N N -1.586 8.699 -11.006 1.00 . A A . 12 LEU N 1 1 20 9970 1 1 13 LEU O O 0.128 6.665 -10.666 1.00 . A A . 12 LEU O 1 1 20 9971 1 1 14 ASN C C -0.032 3.427 -10.630 1.00 . A A . 13 ASN C 1 1 20 9972 1 1 14 ASN CA C -0.601 4.252 -9.503 1.00 . A A . 13 ASN CA 1 1 20 9973 1 1 14 ASN CB C -1.322 3.326 -8.484 1.00 . A A . 13 ASN CB 1 1 20 9974 1 1 14 ASN CG C -0.475 3.049 -7.277 1.00 . A A . 13 ASN CG 1 1 20 9975 1 1 14 ASN H H -2.505 5.082 -9.918 1.00 . A A . 13 ASN H 1 1 20 9976 1 1 14 ASN HA H 0.218 4.795 -9.021 1.00 . A A . 13 ASN HA 1 1 20 9977 1 1 14 ASN HB2 H -2.236 3.789 -8.083 1.00 . A A . 13 ASN HB2 1 1 20 9978 1 1 14 ASN HB3 H -1.609 2.381 -8.972 1.00 . A A . 13 ASN HB3 1 1 20 9979 1 1 14 ASN HD21 H -0.299 5.019 -6.813 1.00 . A A . 13 ASN HD21 1 1 20 9980 1 1 14 ASN HD22 H 0.546 3.929 -5.763 1.00 . A A . 13 ASN HD22 1 1 20 9981 1 1 14 ASN N N -1.524 5.256 -9.999 1.00 . A A . 13 ASN N 1 1 20 9982 1 1 14 ASN ND2 N -0.033 4.095 -6.560 1.00 . A A . 13 ASN ND2 1 1 20 9983 1 1 14 ASN O O -0.769 3.125 -11.554 1.00 . A A . 13 ASN O 1 1 20 9984 1 1 14 ASN OD1 O -0.230 1.899 -6.967 1.00 . A A . 13 ASN OD1 1 1 20 9985 1 1 15 ASN C C 2.793 1.193 -11.003 1.00 . A A . 14 ASN C 1 1 20 9986 1 1 15 ASN CA C 1.845 2.201 -11.596 1.00 . A A . 14 ASN CA 1 1 20 9987 1 1 15 ASN CB C 2.632 3.035 -12.629 1.00 . A A . 14 ASN CB 1 1 20 9988 1 1 15 ASN CG C 1.665 3.628 -13.613 1.00 . A A . 14 ASN CG 1 1 20 9989 1 1 15 ASN H H 1.865 3.358 -9.823 1.00 . A A . 14 ASN H 1 1 20 9990 1 1 15 ASN HA H 1.038 1.638 -12.085 1.00 . A A . 14 ASN HA 1 1 20 9991 1 1 15 ASN HB2 H 3.161 3.829 -12.085 1.00 . A A . 14 ASN HB2 1 1 20 9992 1 1 15 ASN HB3 H 3.367 2.415 -13.166 1.00 . A A . 14 ASN HB3 1 1 20 9993 1 1 15 ASN HD21 H 1.172 1.815 -14.455 1.00 . A A . 14 ASN HD21 1 1 20 9994 1 1 15 ASN HD22 H 0.271 3.174 -15.012 1.00 . A A . 14 ASN HD22 1 1 20 9995 1 1 15 ASN N N 1.266 3.048 -10.562 1.00 . A A . 14 ASN N 1 1 20 9996 1 1 15 ASN ND2 N 0.993 2.798 -14.436 1.00 . A A . 14 ASN ND2 1 1 20 9997 1 1 15 ASN O O 3.437 1.497 -10.013 1.00 . A A . 14 ASN O 1 1 20 9998 1 1 15 ASN OD1 O 1.504 4.835 -13.633 1.00 . A A . 14 ASN OD1 1 1 20 9999 1 1 16 PHE C C 5.085 -0.638 -10.839 1.00 . A A . 15 PHE C 1 1 20 10000 1 1 16 PHE CA C 3.655 -1.091 -11.043 1.00 . A A . 15 PHE CA 1 1 20 10001 1 1 16 PHE CB C 3.631 -2.379 -11.926 1.00 . A A . 15 PHE CB 1 1 20 10002 1 1 16 PHE CD1 C 1.839 -3.912 -10.986 1.00 . A A . 15 PHE CD1 1 1 20 10003 1 1 16 PHE CD2 C 4.141 -4.462 -10.537 1.00 . A A . 15 PHE CD2 1 1 20 10004 1 1 16 PHE CE1 C 1.434 -5.064 -10.307 1.00 . A A . 15 PHE CE1 1 1 20 10005 1 1 16 PHE CE2 C 3.740 -5.609 -9.852 1.00 . A A . 15 PHE CE2 1 1 20 10006 1 1 16 PHE CG C 3.198 -3.614 -11.126 1.00 . A A . 15 PHE CG 1 1 20 10007 1 1 16 PHE CZ C 2.384 -5.916 -9.742 1.00 . A A . 15 PHE CZ 1 1 20 10008 1 1 16 PHE H H 2.332 -0.182 -12.443 1.00 . A A . 15 PHE H 1 1 20 10009 1 1 16 PHE HA H 3.197 -1.337 -10.075 1.00 . A A . 15 PHE HA 1 1 20 10010 1 1 16 PHE HB2 H 2.920 -2.306 -12.761 1.00 . A A . 15 PHE HB2 1 1 20 10011 1 1 16 PHE HB3 H 4.615 -2.552 -12.385 1.00 . A A . 15 PHE HB3 1 1 20 10012 1 1 16 PHE HD1 H 1.087 -3.252 -11.405 1.00 . A A . 15 PHE HD1 1 1 20 10013 1 1 16 PHE HD2 H 5.196 -4.250 -10.603 1.00 . A A . 15 PHE HD2 1 1 20 10014 1 1 16 PHE HE1 H 0.379 -5.298 -10.218 1.00 . A A . 15 PHE HE1 1 1 20 10015 1 1 16 PHE HE2 H 4.485 -6.261 -9.407 1.00 . A A . 15 PHE HE2 1 1 20 10016 1 1 16 PHE HZ H 2.071 -6.813 -9.217 1.00 . A A . 15 PHE HZ 1 1 20 10017 1 1 16 PHE N N 2.864 -0.009 -11.618 1.00 . A A . 15 PHE N 1 1 20 10018 1 1 16 PHE O O 5.580 0.148 -11.631 1.00 . A A . 15 PHE O 1 1 20 10019 1 1 17 ARG C C 8.039 -1.234 -10.816 1.00 . A A . 16 ARG C 1 1 20 10020 1 1 17 ARG CA C 7.205 -0.765 -9.656 1.00 . A A . 16 ARG CA 1 1 20 10021 1 1 17 ARG CB C 7.877 -1.297 -8.369 1.00 . A A . 16 ARG CB 1 1 20 10022 1 1 17 ARG CD C 9.074 -0.723 -6.187 1.00 . A A . 16 ARG CD 1 1 20 10023 1 1 17 ARG CG C 8.023 -0.248 -7.235 1.00 . A A . 16 ARG CG 1 1 20 10024 1 1 17 ARG CZ C 9.284 -1.099 -3.777 1.00 . A A . 16 ARG CZ 1 1 20 10025 1 1 17 ARG H H 5.363 -1.770 -9.159 1.00 . A A . 16 ARG H 1 1 20 10026 1 1 17 ARG HA H 7.318 0.314 -9.707 1.00 . A A . 16 ARG HA 1 1 20 10027 1 1 17 ARG HB2 H 7.280 -2.126 -7.990 1.00 . A A . 16 ARG HB2 1 1 20 10028 1 1 17 ARG HB3 H 8.870 -1.692 -8.634 1.00 . A A . 16 ARG HB3 1 1 20 10029 1 1 17 ARG HD2 H 9.306 -1.776 -6.390 1.00 . A A . 16 ARG HD2 1 1 20 10030 1 1 17 ARG HD3 H 10.002 -0.147 -6.332 1.00 . A A . 16 ARG HD3 1 1 20 10031 1 1 17 ARG HE H 7.787 -0.026 -4.625 1.00 . A A . 16 ARG HE 1 1 20 10032 1 1 17 ARG HG2 H 8.364 0.719 -7.637 1.00 . A A . 16 ARG HG2 1 1 20 10033 1 1 17 ARG HG3 H 7.024 -0.099 -6.800 1.00 . A A . 16 ARG HG3 1 1 20 10034 1 1 17 ARG HH11 H 10.829 -1.971 -4.800 1.00 . A A . 16 ARG HH11 1 1 20 10035 1 1 17 ARG HH12 H 10.841 -2.208 -3.066 1.00 . A A . 16 ARG HH12 1 1 20 10036 1 1 17 ARG HH21 H 7.935 -0.377 -2.421 1.00 . A A . 16 ARG HH21 1 1 20 10037 1 1 17 ARG HH22 H 9.266 -1.311 -1.747 1.00 . A A . 16 ARG HH22 1 1 20 10038 1 1 17 ARG N N 5.794 -1.130 -9.804 1.00 . A A . 16 ARG N 1 1 20 10039 1 1 17 ARG NE N 8.646 -0.568 -4.797 1.00 . A A . 16 ARG NE 1 1 20 10040 1 1 17 ARG NH1 N 10.385 -1.798 -3.892 1.00 . A A . 16 ARG NH1 1 1 20 10041 1 1 17 ARG NH2 N 8.798 -0.917 -2.574 1.00 . A A . 16 ARG NH2 1 1 20 10042 1 1 17 ARG O O 9.075 -0.650 -11.092 1.00 . A A . 16 ARG O 1 1 20 10043 1 1 18 LYS C C 8.175 -1.785 -13.794 1.00 . A A . 17 LYS C 1 1 20 10044 1 1 18 LYS CA C 8.329 -2.772 -12.656 1.00 . A A . 17 LYS CA 1 1 20 10045 1 1 18 LYS CB C 7.745 -4.138 -13.119 1.00 . A A . 17 LYS CB 1 1 20 10046 1 1 18 LYS CD C 9.406 -6.036 -12.590 1.00 . A A . 17 LYS CD 1 1 20 10047 1 1 18 LYS CE C 10.948 -6.225 -12.626 1.00 . A A . 17 LYS CE 1 1 20 10048 1 1 18 LYS CG C 8.861 -5.057 -13.677 1.00 . A A . 17 LYS CG 1 1 20 10049 1 1 18 LYS H H 6.748 -2.737 -11.247 1.00 . A A . 17 LYS H 1 1 20 10050 1 1 18 LYS HA H 9.387 -2.871 -12.364 1.00 . A A . 17 LYS HA 1 1 20 10051 1 1 18 LYS HB2 H 7.232 -4.676 -12.308 1.00 . A A . 17 LYS HB2 1 1 20 10052 1 1 18 LYS HB3 H 6.986 -3.939 -13.892 1.00 . A A . 17 LYS HB3 1 1 20 10053 1 1 18 LYS HD2 H 9.132 -5.718 -11.572 1.00 . A A . 17 LYS HD2 1 1 20 10054 1 1 18 LYS HD3 H 8.920 -7.012 -12.755 1.00 . A A . 17 LYS HD3 1 1 20 10055 1 1 18 LYS HE2 H 11.183 -7.302 -12.611 1.00 . A A . 17 LYS HE2 1 1 20 10056 1 1 18 LYS HE3 H 11.383 -5.811 -13.549 1.00 . A A . 17 LYS HE3 1 1 20 10057 1 1 18 LYS HG2 H 8.437 -5.660 -14.496 1.00 . A A . 17 LYS HG2 1 1 20 10058 1 1 18 LYS HG3 H 9.644 -4.423 -14.117 1.00 . A A . 17 LYS HG3 1 1 20 10059 1 1 18 LYS HZ1 H 11.211 -4.612 -11.229 1.00 . A A . 17 LYS HZ1 1 1 20 10060 1 1 18 LYS HZ2 H 12.656 -5.496 -11.607 1.00 . A A . 17 LYS HZ2 1 1 20 10061 1 1 18 LYS HZ3 H 11.457 -6.217 -10.570 1.00 . A A . 17 LYS HZ3 1 1 20 10062 1 1 18 LYS N N 7.597 -2.299 -11.499 1.00 . A A . 17 LYS N 1 1 20 10063 1 1 18 LYS NZ N 11.592 -5.600 -11.449 1.00 . A A . 17 LYS NZ 1 1 20 10064 1 1 18 LYS O O 8.979 -1.814 -14.712 1.00 . A A . 17 LYS O 1 1 20 10065 1 1 19 ARG C C 8.036 0.911 -15.053 1.00 . A A . 18 ARG C 1 1 20 10066 1 1 19 ARG CA C 6.887 -0.064 -14.919 1.00 . A A . 18 ARG CA 1 1 20 10067 1 1 19 ARG CB C 5.568 0.764 -14.814 1.00 . A A . 18 ARG CB 1 1 20 10068 1 1 19 ARG CD C 3.692 -0.501 -15.937 1.00 . A A . 18 ARG CD 1 1 20 10069 1 1 19 ARG CG C 4.665 0.698 -16.071 1.00 . A A . 18 ARG CG 1 1 20 10070 1 1 19 ARG CZ C 2.447 -2.024 -17.374 1.00 . A A . 18 ARG CZ 1 1 20 10071 1 1 19 ARG H H 6.512 -0.852 -12.999 1.00 . A A . 18 ARG H 1 1 20 10072 1 1 19 ARG HA H 6.833 -0.734 -15.791 1.00 . A A . 18 ARG HA 1 1 20 10073 1 1 19 ARG HB2 H 4.940 0.481 -13.958 1.00 . A A . 18 ARG HB2 1 1 20 10074 1 1 19 ARG HB3 H 5.853 1.806 -14.672 1.00 . A A . 18 ARG HB3 1 1 20 10075 1 1 19 ARG HD2 H 4.260 -1.334 -15.493 1.00 . A A . 18 ARG HD2 1 1 20 10076 1 1 19 ARG HD3 H 2.868 -0.208 -15.265 1.00 . A A . 18 ARG HD3 1 1 20 10077 1 1 19 ARG HE H 3.391 -0.360 -18.045 1.00 . A A . 18 ARG HE 1 1 20 10078 1 1 19 ARG HG2 H 4.060 1.616 -16.144 1.00 . A A . 18 ARG HG2 1 1 20 10079 1 1 19 ARG HG3 H 5.293 0.630 -16.972 1.00 . A A . 18 ARG HG3 1 1 20 10080 1 1 19 ARG HH11 H 2.318 -2.551 -15.400 1.00 . A A . 18 ARG HH11 1 1 20 10081 1 1 19 ARG HH12 H 1.538 -3.644 -16.531 1.00 . A A . 18 ARG HH12 1 1 20 10082 1 1 19 ARG HH21 H 2.346 -1.809 -19.402 1.00 . A A . 18 ARG HH21 1 1 20 10083 1 1 19 ARG HH22 H 1.533 -3.227 -18.747 1.00 . A A . 18 ARG HH22 1 1 20 10084 1 1 19 ARG N N 7.132 -0.924 -13.773 1.00 . A A . 18 ARG N 1 1 20 10085 1 1 19 ARG NE N 3.158 -0.932 -17.223 1.00 . A A . 18 ARG NE 1 1 20 10086 1 1 19 ARG NH1 N 2.085 -2.786 -16.372 1.00 . A A . 18 ARG NH1 1 1 20 10087 1 1 19 ARG NH2 N 2.085 -2.373 -18.581 1.00 . A A . 18 ARG NH2 1 1 20 10088 1 1 19 ARG O O 8.569 1.338 -14.041 1.00 . A A . 18 ARG O 1 1 20 10089 1 1 20 LEU C C 8.793 3.648 -16.724 1.00 . A A . 19 LEU C 1 1 20 10090 1 1 20 LEU CA C 9.422 2.294 -16.529 1.00 . A A . 19 LEU CA 1 1 20 10091 1 1 20 LEU CB C 10.247 1.958 -17.804 1.00 . A A . 19 LEU CB 1 1 20 10092 1 1 20 LEU CD1 C 12.088 0.408 -18.654 1.00 . A A . 19 LEU CD1 1 1 20 10093 1 1 20 LEU CD2 C 12.676 2.384 -17.154 1.00 . A A . 19 LEU CD2 1 1 20 10094 1 1 20 LEU CG C 11.614 1.298 -17.473 1.00 . A A . 19 LEU CG 1 1 20 10095 1 1 20 LEU H H 7.918 0.883 -17.085 1.00 . A A . 19 LEU H 1 1 20 10096 1 1 20 LEU HA H 10.089 2.387 -15.659 1.00 . A A . 19 LEU HA 1 1 20 10097 1 1 20 LEU HB2 H 9.661 1.295 -18.456 1.00 . A A . 19 LEU HB2 1 1 20 10098 1 1 20 LEU HB3 H 10.443 2.876 -18.381 1.00 . A A . 19 LEU HB3 1 1 20 10099 1 1 20 LEU HD11 H 11.733 -0.624 -18.499 1.00 . A A . 19 LEU HD11 1 1 20 10100 1 1 20 LEU HD12 H 13.186 0.387 -18.721 1.00 . A A . 19 LEU HD12 1 1 20 10101 1 1 20 LEU HD13 H 11.694 0.773 -19.616 1.00 . A A . 19 LEU HD13 1 1 20 10102 1 1 20 LEU HD21 H 12.333 3.047 -16.346 1.00 . A A . 19 LEU HD21 1 1 20 10103 1 1 20 LEU HD22 H 12.880 2.993 -18.048 1.00 . A A . 19 LEU HD22 1 1 20 10104 1 1 20 LEU HD23 H 13.615 1.908 -16.832 1.00 . A A . 19 LEU HD23 1 1 20 10105 1 1 20 LEU HG H 11.508 0.649 -16.588 1.00 . A A . 19 LEU HG 1 1 20 10106 1 1 20 LEU N N 8.395 1.276 -16.301 1.00 . A A . 19 LEU N 1 1 20 10107 1 1 20 LEU O O 9.468 4.627 -16.458 1.00 . A A . 19 LEU O 1 1 20 10108 1 1 21 LYS C C 5.471 4.958 -17.154 1.00 . A A . 20 LYS C 1 1 20 10109 1 1 21 LYS CA C 6.947 5.064 -17.384 1.00 . A A . 20 LYS CA 1 1 20 10110 1 1 21 LYS CB C 7.159 5.596 -18.824 1.00 . A A . 20 LYS CB 1 1 20 10111 1 1 21 LYS CD C 8.515 7.287 -20.231 1.00 . A A . 20 LYS CD 1 1 20 10112 1 1 21 LYS CE C 9.932 7.285 -20.856 1.00 . A A . 20 LYS CE 1 1 20 10113 1 1 21 LYS CG C 8.473 6.398 -18.958 1.00 . A A . 20 LYS CG 1 1 20 10114 1 1 21 LYS H H 6.947 2.973 -17.408 1.00 . A A . 20 LYS H 1 1 20 10115 1 1 21 LYS HA H 7.315 5.754 -16.613 1.00 . A A . 20 LYS HA 1 1 20 10116 1 1 21 LYS HB2 H 7.164 4.752 -19.528 1.00 . A A . 20 LYS HB2 1 1 20 10117 1 1 21 LYS HB3 H 6.317 6.250 -19.081 1.00 . A A . 20 LYS HB3 1 1 20 10118 1 1 21 LYS HD2 H 7.785 6.955 -20.985 1.00 . A A . 20 LYS HD2 1 1 20 10119 1 1 21 LYS HD3 H 8.263 8.323 -19.948 1.00 . A A . 20 LYS HD3 1 1 20 10120 1 1 21 LYS HE2 H 10.077 8.211 -21.436 1.00 . A A . 20 LYS HE2 1 1 20 10121 1 1 21 LYS HE3 H 10.692 7.268 -20.058 1.00 . A A . 20 LYS HE3 1 1 20 10122 1 1 21 LYS HG2 H 8.560 7.085 -18.112 1.00 . A A . 20 LYS HG2 1 1 20 10123 1 1 21 LYS HG3 H 9.309 5.686 -18.911 1.00 . A A . 20 LYS HG3 1 1 20 10124 1 1 21 LYS HZ1 H 9.734 6.380 -22.756 1.00 . A A . 20 LYS HZ1 1 1 20 10125 1 1 21 LYS HZ2 H 9.526 5.261 -21.437 1.00 . A A . 20 LYS HZ2 1 1 20 10126 1 1 21 LYS HZ3 H 11.121 5.832 -21.841 1.00 . A A . 20 LYS HZ3 1 1 20 10127 1 1 21 LYS N N 7.530 3.752 -17.186 1.00 . A A . 20 LYS N 1 1 20 10128 1 1 21 LYS NZ N 10.085 6.126 -21.765 1.00 . A A . 20 LYS NZ 1 1 20 10129 1 1 21 LYS O O 4.931 3.865 -17.218 1.00 . A A . 20 LYS O 1 1 20 10130 1 1 22 CYS C C 2.651 5.518 -17.740 1.00 . A A . 21 CYS C 1 1 20 10131 1 1 22 CYS CA C 3.419 6.050 -16.557 1.00 . A A . 21 CYS CA 1 1 20 10132 1 1 22 CYS CB C 2.930 7.449 -16.130 1.00 . A A . 21 CYS CB 1 1 20 10133 1 1 22 CYS H H 5.291 6.994 -16.853 1.00 . A A . 21 CYS H 1 1 20 10134 1 1 22 CYS HA H 3.297 5.378 -15.695 1.00 . A A . 21 CYS HA 1 1 20 10135 1 1 22 CYS HB2 H 3.563 7.871 -15.335 1.00 . A A . 21 CYS HB2 1 1 20 10136 1 1 22 CYS HB3 H 2.915 8.141 -16.982 1.00 . A A . 21 CYS HB3 1 1 20 10137 1 1 22 CYS N N 4.826 6.103 -16.875 1.00 . A A . 21 CYS N 1 1 20 10138 1 1 22 CYS O O 2.875 5.970 -18.851 1.00 . A A . 21 CYS O 1 1 20 10139 1 1 22 CYS SG S 1.277 7.218 -15.440 1.00 . A A . 21 CYS SG 1 1 20 10140 1 1 23 PHE C C -0.311 4.769 -18.875 1.00 . A A . 22 PHE C 1 1 20 10141 1 1 23 PHE CA C 0.954 3.981 -18.603 1.00 . A A . 22 PHE CA 1 1 20 10142 1 1 23 PHE CB C 0.609 2.518 -18.217 1.00 . A A . 22 PHE CB 1 1 20 10143 1 1 23 PHE CD1 C 1.825 1.205 -19.997 1.00 . A A . 22 PHE CD1 1 1 20 10144 1 1 23 PHE CD2 C -0.593 1.202 -20.043 1.00 . A A . 22 PHE CD2 1 1 20 10145 1 1 23 PHE CE1 C 1.852 0.346 -21.095 1.00 . A A . 22 PHE CE1 1 1 20 10146 1 1 23 PHE CE2 C -0.566 0.350 -21.149 1.00 . A A . 22 PHE CE2 1 1 20 10147 1 1 23 PHE CG C 0.604 1.618 -19.455 1.00 . A A . 22 PHE CG 1 1 20 10148 1 1 23 PHE CZ C 0.654 -0.085 -21.671 1.00 . A A . 22 PHE CZ 1 1 20 10149 1 1 23 PHE H H 1.532 4.274 -16.581 1.00 . A A . 22 PHE H 1 1 20 10150 1 1 23 PHE HA H 1.562 3.967 -19.520 1.00 . A A . 22 PHE HA 1 1 20 10151 1 1 23 PHE HB2 H 1.383 2.105 -17.550 1.00 . A A . 22 PHE HB2 1 1 20 10152 1 1 23 PHE HB3 H -0.351 2.482 -17.680 1.00 . A A . 22 PHE HB3 1 1 20 10153 1 1 23 PHE HD1 H 2.757 1.556 -19.568 1.00 . A A . 22 PHE HD1 1 1 20 10154 1 1 23 PHE HD2 H -1.546 1.540 -19.649 1.00 . A A . 22 PHE HD2 1 1 20 10155 1 1 23 PHE HE1 H 2.802 0.017 -21.503 1.00 . A A . 22 PHE HE1 1 1 20 10156 1 1 23 PHE HE2 H -1.495 0.026 -21.605 1.00 . A A . 22 PHE HE2 1 1 20 10157 1 1 23 PHE HZ H 0.673 -0.755 -22.524 1.00 . A A . 22 PHE HZ 1 1 20 10158 1 1 23 PHE N N 1.732 4.558 -17.513 1.00 . A A . 22 PHE N 1 1 20 10159 1 1 23 PHE O O -1.130 4.309 -19.653 1.00 . A A . 22 PHE O 1 1 20 10160 1 1 24 ARG C C -1.244 8.068 -19.118 1.00 . A A . 23 ARG C 1 1 20 10161 1 1 24 ARG CA C -1.656 6.790 -18.435 1.00 . A A . 23 ARG CA 1 1 20 10162 1 1 24 ARG CB C -2.325 7.074 -17.066 1.00 . A A . 23 ARG CB 1 1 20 10163 1 1 24 ARG CD C -4.696 7.876 -16.312 1.00 . A A . 23 ARG CD 1 1 20 10164 1 1 24 ARG CG C -3.432 8.156 -17.175 1.00 . A A . 23 ARG CG 1 1 20 10165 1 1 24 ARG CZ C -5.688 8.657 -14.206 1.00 . A A . 23 ARG CZ 1 1 20 10166 1 1 24 ARG H H 0.196 6.287 -17.605 1.00 . A A . 23 ARG H 1 1 20 10167 1 1 24 ARG HA H -2.403 6.291 -19.072 1.00 . A A . 23 ARG HA 1 1 20 10168 1 1 24 ARG HB2 H -2.745 6.103 -16.774 1.00 . A A . 23 ARG HB2 1 1 20 10169 1 1 24 ARG HB3 H -1.589 7.390 -16.310 1.00 . A A . 23 ARG HB3 1 1 20 10170 1 1 24 ARG HD2 H -5.527 8.333 -16.870 1.00 . A A . 23 ARG HD2 1 1 20 10171 1 1 24 ARG HD3 H -4.881 6.795 -16.226 1.00 . A A . 23 ARG HD3 1 1 20 10172 1 1 24 ARG HE H -3.750 8.907 -14.721 1.00 . A A . 23 ARG HE 1 1 20 10173 1 1 24 ARG HG2 H -3.003 9.146 -16.947 1.00 . A A . 23 ARG HG2 1 1 20 10174 1 1 24 ARG HG3 H -3.772 8.182 -18.220 1.00 . A A . 23 ARG HG3 1 1 20 10175 1 1 24 ARG HH11 H -7.033 7.612 -15.338 1.00 . A A . 23 ARG HH11 1 1 20 10176 1 1 24 ARG HH12 H -7.670 8.312 -13.860 1.00 . A A . 23 ARG HH12 1 1 20 10177 1 1 24 ARG HH21 H -4.639 9.722 -12.804 1.00 . A A . 23 ARG HH21 1 1 20 10178 1 1 24 ARG HH22 H -6.343 9.453 -12.442 1.00 . A A . 23 ARG HH22 1 1 20 10179 1 1 24 ARG N N -0.484 5.947 -18.235 1.00 . A A . 23 ARG N 1 1 20 10180 1 1 24 ARG NE N -4.650 8.512 -14.999 1.00 . A A . 23 ARG NE 1 1 20 10181 1 1 24 ARG NH1 N -6.869 8.167 -14.490 1.00 . A A . 23 ARG NH1 1 1 20 10182 1 1 24 ARG NH2 N -5.548 9.315 -13.082 1.00 . A A . 23 ARG NH2 1 1 20 10183 1 1 24 ARG O O -1.787 8.360 -20.171 1.00 . A A . 23 ARG O 1 1 20 10184 1 1 25 CYS C C 1.455 9.822 -19.960 1.00 . A A . 24 CYS C 1 1 20 10185 1 1 25 CYS CA C 0.156 10.050 -19.215 1.00 . A A . 24 CYS CA 1 1 20 10186 1 1 25 CYS CB C 0.286 11.165 -18.152 1.00 . A A . 24 CYS CB 1 1 20 10187 1 1 25 CYS H H 0.121 8.605 -17.673 1.00 . A A . 24 CYS H 1 1 20 10188 1 1 25 CYS HA H -0.598 10.419 -19.927 1.00 . A A . 24 CYS HA 1 1 20 10189 1 1 25 CYS HB2 H 0.424 12.154 -18.611 1.00 . A A . 24 CYS HB2 1 1 20 10190 1 1 25 CYS HB3 H -0.605 11.178 -17.511 1.00 . A A . 24 CYS HB3 1 1 20 10191 1 1 25 CYS N N -0.299 8.840 -18.545 1.00 . A A . 24 CYS N 1 1 20 10192 1 1 25 CYS O O 1.829 10.705 -20.713 1.00 . A A . 24 CYS O 1 1 20 10193 1 1 25 CYS SG S 1.721 10.823 -17.119 1.00 . A A . 24 CYS SG 1 1 20 10194 1 1 26 GLY C C 4.631 9.032 -19.668 1.00 . A A . 25 GLY C 1 1 20 10195 1 1 26 GLY CA C 3.460 8.517 -20.476 1.00 . A A . 25 GLY CA 1 1 20 10196 1 1 26 GLY H H 1.902 7.948 -19.177 1.00 . A A . 25 GLY H 1 1 20 10197 1 1 26 GLY HA2 H 3.625 7.449 -20.682 1.00 . A A . 25 GLY HA2 1 1 20 10198 1 1 26 GLY HA3 H 3.457 9.030 -21.449 1.00 . A A . 25 GLY HA3 1 1 20 10199 1 1 26 GLY N N 2.182 8.688 -19.786 1.00 . A A . 25 GLY N 1 1 20 10200 1 1 26 GLY O O 5.710 8.473 -19.767 1.00 . A A . 25 GLY O 1 1 20 10201 1 1 27 ALA C C 6.251 9.684 -17.237 1.00 . A A . 26 ALA C 1 1 20 10202 1 1 27 ALA CA C 5.584 10.688 -18.150 1.00 . A A . 26 ALA CA 1 1 20 10203 1 1 27 ALA CB C 5.155 11.914 -17.298 1.00 . A A . 26 ALA CB 1 1 20 10204 1 1 27 ALA H H 3.596 10.593 -18.885 1.00 . A A . 26 ALA H 1 1 20 10205 1 1 27 ALA HA H 6.308 11.033 -18.906 1.00 . A A . 26 ALA HA 1 1 20 10206 1 1 27 ALA HB1 H 4.373 12.504 -17.800 1.00 . A A . 26 ALA HB1 1 1 20 10207 1 1 27 ALA HB2 H 4.771 11.581 -16.321 1.00 . A A . 26 ALA HB2 1 1 20 10208 1 1 27 ALA HB3 H 6.021 12.570 -17.133 1.00 . A A . 26 ALA HB3 1 1 20 10209 1 1 27 ALA N N 4.465 10.118 -18.890 1.00 . A A . 26 ALA N 1 1 20 10210 1 1 27 ALA O O 5.621 8.707 -16.861 1.00 . A A . 26 ALA O 1 1 20 10211 1 1 28 ASP C C 8.077 9.387 -14.556 1.00 . A A . 27 ASP C 1 1 20 10212 1 1 28 ASP CA C 8.241 8.987 -16.000 1.00 . A A . 27 ASP CA 1 1 20 10213 1 1 28 ASP CB C 9.743 8.922 -16.386 1.00 . A A . 27 ASP CB 1 1 20 10214 1 1 28 ASP CG C 10.351 7.565 -16.140 1.00 . A A . 27 ASP CG 1 1 20 10215 1 1 28 ASP H H 8.008 10.745 -17.167 1.00 . A A . 27 ASP H 1 1 20 10216 1 1 28 ASP HA H 7.805 7.986 -16.090 1.00 . A A . 27 ASP HA 1 1 20 10217 1 1 28 ASP HB2 H 9.860 9.149 -17.457 1.00 . A A . 27 ASP HB2 1 1 20 10218 1 1 28 ASP HB3 H 10.300 9.672 -15.809 1.00 . A A . 27 ASP HB3 1 1 20 10219 1 1 28 ASP N N 7.531 9.918 -16.872 1.00 . A A . 27 ASP N 1 1 20 10220 1 1 28 ASP O O 7.517 10.434 -14.274 1.00 . A A . 27 ASP O 1 1 20 10221 1 1 28 ASP OD1 O 10.170 7.038 -15.007 1.00 . A A . 27 ASP OD1 1 1 20 10222 1 1 28 ASP OD2 O 11.010 7.029 -17.073 1.00 . A A . 27 ASP OD2 1 1 20 10223 1 1 29 LYS C C 9.025 10.122 -11.854 1.00 . A A . 28 LYS C 1 1 20 10224 1 1 29 LYS CA C 8.394 8.796 -12.208 1.00 . A A . 28 LYS CA 1 1 20 10225 1 1 29 LYS CB C 9.104 7.692 -11.379 1.00 . A A . 28 LYS CB 1 1 20 10226 1 1 29 LYS CD C 9.552 5.138 -11.353 1.00 . A A . 28 LYS CD 1 1 20 10227 1 1 29 LYS CE C 9.321 4.423 -9.995 1.00 . A A . 28 LYS CE 1 1 20 10228 1 1 29 LYS CG C 8.520 6.274 -11.636 1.00 . A A . 28 LYS CG 1 1 20 10229 1 1 29 LYS H H 9.100 7.748 -13.930 1.00 . A A . 28 LYS H 1 1 20 10230 1 1 29 LYS HA H 7.319 8.805 -11.967 1.00 . A A . 28 LYS HA 1 1 20 10231 1 1 29 LYS HB2 H 10.166 7.718 -11.653 1.00 . A A . 28 LYS HB2 1 1 20 10232 1 1 29 LYS HB3 H 9.027 7.927 -10.306 1.00 . A A . 28 LYS HB3 1 1 20 10233 1 1 29 LYS HD2 H 9.474 4.386 -12.155 1.00 . A A . 28 LYS HD2 1 1 20 10234 1 1 29 LYS HD3 H 10.581 5.522 -11.401 1.00 . A A . 28 LYS HD3 1 1 20 10235 1 1 29 LYS HE2 H 8.645 5.004 -9.350 1.00 . A A . 28 LYS HE2 1 1 20 10236 1 1 29 LYS HE3 H 8.858 3.445 -10.198 1.00 . A A . 28 LYS HE3 1 1 20 10237 1 1 29 LYS HG2 H 7.625 6.188 -11.012 1.00 . A A . 28 LYS HG2 1 1 20 10238 1 1 29 LYS HG3 H 8.175 6.149 -12.672 1.00 . A A . 28 LYS HG3 1 1 20 10239 1 1 29 LYS HZ1 H 10.310 3.932 -8.208 1.00 . A A . 28 LYS HZ1 1 1 20 10240 1 1 29 LYS HZ2 H 11.195 5.060 -9.177 1.00 . A A . 28 LYS HZ2 1 1 20 10241 1 1 29 LYS HZ3 H 11.127 3.365 -9.646 1.00 . A A . 28 LYS HZ3 1 1 20 10242 1 1 29 LYS N N 8.580 8.550 -13.631 1.00 . A A . 28 LYS N 1 1 20 10243 1 1 29 LYS NZ N 10.562 4.186 -9.229 1.00 . A A . 28 LYS NZ 1 1 20 10244 1 1 29 LYS O O 8.363 10.956 -11.257 1.00 . A A . 28 LYS O 1 1 20 10245 1 1 30 PHE C C 11.077 12.393 -13.175 1.00 . A A . 29 PHE C 1 1 20 10246 1 1 30 PHE CA C 11.008 11.559 -11.915 1.00 . A A . 29 PHE CA 1 1 20 10247 1 1 30 PHE CB C 12.416 11.226 -11.336 1.00 . A A . 29 PHE CB 1 1 20 10248 1 1 30 PHE CD1 C 11.939 11.318 -8.851 1.00 . A A . 29 PHE CD1 1 1 20 10249 1 1 30 PHE CD2 C 13.511 12.911 -9.756 1.00 . A A . 29 PHE CD2 1 1 20 10250 1 1 30 PHE CE1 C 12.144 11.839 -7.571 1.00 . A A . 29 PHE CE1 1 1 20 10251 1 1 30 PHE CE2 C 13.720 13.430 -8.476 1.00 . A A . 29 PHE CE2 1 1 20 10252 1 1 30 PHE CG C 12.629 11.841 -9.947 1.00 . A A . 29 PHE CG 1 1 20 10253 1 1 30 PHE CZ C 13.038 12.896 -7.383 1.00 . A A . 29 PHE CZ 1 1 20 10254 1 1 30 PHE H H 10.798 9.644 -12.788 1.00 . A A . 29 PHE H 1 1 20 10255 1 1 30 PHE HA H 10.463 12.150 -11.164 1.00 . A A . 29 PHE HA 1 1 20 10256 1 1 30 PHE HB2 H 12.522 10.139 -11.198 1.00 . A A . 29 PHE HB2 1 1 20 10257 1 1 30 PHE HB3 H 13.220 11.535 -12.020 1.00 . A A . 29 PHE HB3 1 1 20 10258 1 1 30 PHE HD1 H 11.241 10.499 -8.989 1.00 . A A . 29 PHE HD1 1 1 20 10259 1 1 30 PHE HD2 H 14.041 13.343 -10.599 1.00 . A A . 29 PHE HD2 1 1 20 10260 1 1 30 PHE HE1 H 11.609 11.425 -6.723 1.00 . A A . 29 PHE HE1 1 1 20 10261 1 1 30 PHE HE2 H 14.414 14.251 -8.332 1.00 . A A . 29 PHE HE2 1 1 20 10262 1 1 30 PHE HZ H 13.200 13.299 -6.389 1.00 . A A . 29 PHE HZ 1 1 20 10263 1 1 30 PHE N N 10.310 10.316 -12.228 1.00 . A A . 29 PHE N 1 1 20 10264 1 1 30 PHE O O 11.984 13.198 -13.307 1.00 . A A . 29 PHE O 1 1 20 10265 1 1 31 ASP C C 11.561 12.775 -15.985 1.00 . A A . 30 ASP C 1 1 20 10266 1 1 31 ASP CA C 10.188 12.959 -15.375 1.00 . A A . 30 ASP CA 1 1 20 10267 1 1 31 ASP CB C 9.701 14.398 -15.083 1.00 . A A . 30 ASP CB 1 1 20 10268 1 1 31 ASP CG C 9.440 15.153 -16.357 1.00 . A A . 30 ASP CG 1 1 20 10269 1 1 31 ASP H H 9.339 11.615 -13.993 1.00 . A A . 30 ASP H 1 1 20 10270 1 1 31 ASP HA H 9.472 12.512 -16.081 1.00 . A A . 30 ASP HA 1 1 20 10271 1 1 31 ASP HB2 H 8.758 14.327 -14.520 1.00 . A A . 30 ASP HB2 1 1 20 10272 1 1 31 ASP HB3 H 10.432 14.938 -14.465 1.00 . A A . 30 ASP HB3 1 1 20 10273 1 1 31 ASP N N 10.125 12.218 -14.122 1.00 . A A . 30 ASP N 1 1 20 10274 1 1 31 ASP O O 12.007 11.639 -16.024 1.00 . A A . 30 ASP O 1 1 20 10275 1 1 31 ASP OD1 O 10.438 15.474 -17.058 1.00 . A A . 30 ASP OD1 1 1 20 10276 1 1 31 ASP OD2 O 8.252 15.440 -16.662 1.00 . A A . 30 ASP OD2 1 1 20 10277 1 1 32 NH2 HN1 H 11.940 14.738 -16.491 1.00 . A A . 31 NH2 HN1 1 1 20 10278 1 1 32 NH2 HN2 H 13.187 13.609 -16.866 1.00 . A A . 31 NH2 HN2 1 1 20 10279 1 1 32 NH2 N N 12.288 13.799 -16.478 1.00 . A A . 31 NH2 N 1 1 20 10280 2 2 1 ZN ZN ZN 1.134 9.590 -15.174 1.00 . B A . 32 ZN ZN 1 1 stop_ save_
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